*HEADER    DE NOVO PROTEIN                         21-APR-16   5JHI              
*TITLE     SOLUTION STRUCTURE OF THE DE NOVO MINI PROTEIN GEHE_06                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: W35;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DE NOVO MINIPROTEIN EHE_06;                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   3 ORGANISM_TAXID: 32630;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    DE NOVO PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.W.BUCHKO,C.D.BAHL,J.M.GILMORE,S.V.PULAVARTI,D.BAKER,T.SZYPERSKI     
*REVDAT   1   28-SEP-16 5JHI    0                                                
# Restraints file 1: W35_1NOE.tbl
 assign ((resid   4 and name HA   ))   ( (resid   5 and name HB2  ))     5.12  3.32  0.05
 assign ((resid   5 and name HA   ))   ( (resid   5 and name HD1  ))     4.88  3.08  0.05
 assign ((resid   5 and name HA   ))   ( (resid   5 and name HD2  ))     4.88  3.08  0.05
 assign ((resid   7 and name HB2  ))   ( (resid   7 and name HD2  ))     3.63  1.83  0.04
 assign ((resid   7 and name HB1  ))   ( (resid   7 and name HD1  ))     3.52  1.72  0.04
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HD1  ))     4.47  2.67  0.04
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HD2  ))     4.64  2.84  0.05
 assign ((resid   7 and name HB1  ))   ( (resid   7 and name HE1  ))     4.87  3.07  0.05
 assign ((resid   8 and name HA   ))   ( (resid   8 and name HD2  ))     5.50  3.70  0.05
 assign ((resid   8 and name HA   ))   ( (resid   8 and name HD1  ))     5.50  3.70  0.05
 assign ((resid   8 and name HA   ))   ( (resid   8 and name HG2  ))     4.24  2.44  0.04
 assign ((resid   8 and name HA   ))   ( (resid   8 and name HG1  ))     4.24  2.44  0.04
 assign ((resid  15 and name HA   ))   ( (resid  18 and name HB*  ))     3.49  1.69  0.03
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HB1  ))     3.82  2.02  0.04
 assign ((resid  35 and name HA   ))   ( (resid  35 and name HG2* ))     3.90  2.10  0.04
 assign ((resid  25 and name HA   ))   ( (resid  25 and name HG2* ))     2.85  1.05  0.03
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB2  ))     4.79  2.99  0.05
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB1  ))     4.79  2.99  0.05
 assign ((resid  17 and name HB2  ))   ( (resid  17 and name HD2  ))     3.44  1.64  0.03
 assign ((resid  17 and name HB1  ))   ( (resid  17 and name HD1  ))     3.66  1.86  0.04
 assign ((resid  17 and name HD1  ))   ( (resid  31 and name HG1* ))     3.65  1.85  0.04
 assign ((resid  17 and name HD1  ))   ( (resid  31 and name HG2* ))     3.65  1.85  0.04
 assign ((resid  17 and name HE1  ))   ( (resid  31 and name HG2* ))     4.40  2.60  0.04
 assign ((resid  17 and name HE1  ))   ( (resid  31 and name HG1* ))     4.40  2.60  0.04
 assign ((resid   5 and name HB2  ))   ( (resid  17 and name HE1  ))     4.73  2.93  0.05
 assign ((resid   5 and name HB1  ))   ( (resid  17 and name HE1  ))     5.03  3.23  0.05
 assign ((resid  17 and name HB2  ))   ( (resid  17 and name HE2  ))     5.31  3.51  0.05
 assign ((resid  17 and name HA   ))   ( (resid  17 and name HD2  ))     3.86  2.06  0.04
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HB1  ))     4.91  3.11  0.05
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HB2  ))     4.91  3.11  0.05
 assign ((resid  18 and name HB*  ))   ( (resid  31 and name HB   ))     4.24  2.44  0.04
 assign ((resid  30 and name HG1  ))   ( (resid  31 and name HN   ))     4.29  2.49  0.04
 assign ((resid  30 and name HG2  ))   ( (resid  31 and name HN   ))     4.29  2.49  0.04
 assign ((resid  31 and name HA   ))   ( (resid  31 and name HG1* ))     3.68  1.88  0.04
 assign ((resid  31 and name HA   ))   ( (resid  31 and name HG2* ))     3.68  1.88  0.04
 assign ((resid   1 and name HA   ))   ( (resid   2 and name HN   ))     3.12  1.32  0.03
 assign ((resid   1 and name HB2  ))   ( (resid   2 and name HN   ))     4.44  2.64  0.04
 assign ((resid   1 and name HB1  ))   ( (resid   2 and name HN   ))     4.44  2.64  0.04
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HB1  ))     4.16  2.36  0.04
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HB2  ))     4.16  2.36  0.04
 assign ((resid   2 and name HA   ))   ( (resid   3 and name HN   ))     2.90  1.10  0.03
 assign ((resid   3 and name HN   ))   ( (resid  29 and name HA   ))     3.38  1.58  0.03
 assign ((resid   3 and name HN   ))   ( (resid  29 and name HB   ))     5.36  3.56  0.05
 assign ((resid   2 and name HG2  ))   ( (resid   3 and name HN   ))     5.50  3.70  0.05
 assign ((resid   2 and name HG1  ))   ( (resid   3 and name HN   ))     5.50  3.70  0.05
 assign ((resid   3 and name HN   ))   ( (resid  29 and name HG1* ))     5.38  3.58  0.05
 assign ((resid   3 and name HN   ))   ( (resid  29 and name HG2* ))     5.38  3.58  0.05
 assign ((resid   3 and name HA   ))   ( (resid   4 and name HN   ))     3.00  1.20  0.03
 assign ((resid   3 and name HB2  ))   ( (resid   4 and name HN   ))     4.12  2.32  0.04
 assign ((resid   3 and name HB1  ))   ( (resid   4 and name HN   ))     4.12  2.32  0.04
 assign ((resid   4 and name HA   ))   ( (resid   5 and name HN   ))     2.80  1.00  0.03
 assign ((resid   5 and name HN   ))   ( (resid  31 and name HA   ))     3.70  1.90  0.04
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HB2  ))     3.53  1.73  0.04
 assign ((resid   5 and name HA   ))   ( (resid   6 and name HN   ))     2.99  1.19  0.03
 assign ((resid   5 and name HB1  ))   ( (resid   6 and name HN   ))     3.51  1.71  0.04
 assign ((resid   5 and name HB2  ))   ( (resid   6 and name HN   ))     4.60  2.80  0.05
 assign ((resid   6 and name HA   ))   ( (resid   7 and name HN   ))     2.78  0.98  0.03
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HB2  ))     3.69  1.89  0.04
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HB1  ))     4.02  2.22  0.04
 assign ((resid   7 and name HD1  ))   ( (resid   8 and name HN   ))     4.56  2.76  0.05
 assign ((resid   7 and name HA   ))   ( (resid   8 and name HN   ))     2.84  1.04  0.03
 assign ((resid   7 and name HB2  ))   ( (resid   8 and name HN   ))     4.93  3.13  0.05
 assign ((resid   7 and name HB1  ))   ( (resid   8 and name HN   ))     4.81  3.01  0.05
 assign ((resid   8 and name HN   ))   ( (resid   8 and name HB2  ))     3.87  2.07  0.04
 assign ((resid   8 and name HN   ))   ( (resid   8 and name HB1  ))     3.87  2.07  0.04
 assign ((resid   9 and name HN   ))   ( (resid  34 and name HN   ))     4.24  2.44  0.04
 assign ((resid   8 and name HA   ))   ( (resid   9 and name HN   ))     2.73  0.93  0.03
 assign ((resid   7 and name HD1  ))   ( (resid   9 and name HN   ))     5.15  3.35  0.05
 assign ((resid   8 and name HB2  ))   ( (resid   9 and name HN   ))     4.79  2.99  0.05
 assign ((resid   8 and name HB1  ))   ( (resid   9 and name HN   ))     4.79  2.99  0.05
 assign ((resid  10 and name HA   ))   ( (resid  11 and name HN   ))     2.95  1.15  0.03
 assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   ))     3.43  1.63  0.03
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HB1  ))     3.39  1.59  0.03
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HB2  ))     3.39  1.59  0.03
 assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   ))     3.45  1.65  0.03
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HG2  ))     3.84  2.04  0.04
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HG1  ))     3.84  2.04  0.04
 assign ((resid  12 and name HB1  ))   ( (resid  13 and name HN   ))     3.97  2.17  0.04
 assign ((resid  12 and name HB2  ))   ( (resid  13 and name HN   ))     3.97  2.17  0.04
 assign ((resid  14 and name HN   ))   ( (resid  15 and name HN   ))     3.32  1.52  0.03
 assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   ))     3.19  1.39  0.03
 assign ((resid  11 and name HA   ))   ( (resid  14 and name HN   ))     4.17  2.37  0.04
 assign ((resid  12 and name HA   ))   ( (resid  14 and name HN   ))     5.01  3.21  0.05
 assign ((resid  14 and name HN   ))   ( (resid  14 and name HB2  ))     3.68  1.88  0.04
 assign ((resid  14 and name HN   ))   ( (resid  14 and name HB1  ))     3.68  1.88  0.04
 assign ((resid  13 and name HG2  ))   ( (resid  14 and name HN   ))     5.02  3.22  0.05
 assign ((resid  13 and name HG1  ))   ( (resid  14 and name HN   ))     5.02  3.22  0.05
 assign ((resid  11 and name HA   ))   ( (resid  15 and name HN   ))     4.92  3.12  0.05
 assign ((resid  14 and name HB2  ))   ( (resid  15 and name HN   ))     3.84  2.04  0.04
 assign ((resid  14 and name HB1  ))   ( (resid  15 and name HN   ))     3.84  2.04  0.04
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HG2  ))     4.41  2.61  0.04
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HG1  ))     4.41  2.61  0.04
 assign ((resid  15 and name HN   ))   ( (resid  16 and name HN   ))     3.06  1.26  0.03
 assign ((resid  16 and name HN   ))   ( (resid  18 and name HB*  ))     5.07  3.27  0.05
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HD1  ))     5.08  3.28  0.05
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HD2  ))     5.50  3.70  0.05
 assign ((resid  14 and name HA   ))   ( (resid  17 and name HN   ))     4.20  2.40  0.04
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB2  ))     2.97  1.17  0.03
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB1  ))     3.13  1.33  0.03
 assign ((resid  17 and name HN   ))   ( (resid  18 and name HB*  ))     4.55  2.75  0.05
 assign ((resid  17 and name HD1  ))   ( (resid  18 and name HN   ))     4.10  2.30  0.04
 assign ((resid  15 and name HA   ))   ( (resid  18 and name HN   ))     3.91  2.11  0.04
 assign ((resid  17 and name HB1  ))   ( (resid  18 and name HN   ))     3.08  1.28  0.03
 assign ((resid  18 and name HN   ))   ( (resid  31 and name HB   ))     5.50  3.70  0.05
 assign ((resid  18 and name HN   ))   ( (resid  18 and name HB*  ))     2.80  1.00  0.03
 assign ((resid  18 and name HN   ))   ( (resid  31 and name HG1* ))     5.28  3.48  0.05
 assign ((resid  18 and name HN   ))   ( (resid  31 and name HG2* ))     5.28  3.48  0.05
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG2  ))     5.26  3.46  0.05
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG1  ))     5.26  3.46  0.05
 assign ((resid  18 and name HB*  ))   ( (resid  19 and name HN   ))     3.29  1.49  0.03
 assign ((resid  20 and name HN   ))   ( (resid  21 and name HN   ))     3.05  1.25  0.03
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HN   ))     4.24  2.44  0.04
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HG1  ))     4.14  2.34  0.04
 assign ((resid  19 and name HB2  ))   ( (resid  20 and name HN   ))     4.20  2.40  0.04
 assign ((resid  19 and name HB1  ))   ( (resid  20 and name HN   ))     4.20  2.40  0.04
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HG2  ))     4.14  2.34  0.04
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HN   ))     4.22  2.42  0.04
 assign ((resid  20 and name HB2  ))   ( (resid  21 and name HN   ))     3.72  1.92  0.04
 assign ((resid  20 and name HB1  ))   ( (resid  21 and name HN   ))     3.72  1.92  0.04
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HB1  ))     3.37  1.57  0.03
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HB2  ))     3.37  1.57  0.03
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HD1* ))     5.10  3.30  0.05
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HD2* ))     5.10  3.30  0.05
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB2  ))     3.43  1.63  0.03
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB1  ))     3.43  1.63  0.03
 assign ((resid  18 and name HA   ))   ( (resid  22 and name HN   ))     4.80  3.00  0.05
 assign ((resid  22 and name HN   ))   ( (resid  23 and name HB1  ))     5.50  3.70  0.05
 assign ((resid  21 and name HB1  ))   ( (resid  22 and name HN   ))     4.06  2.26  0.04
 assign ((resid  21 and name HB2  ))   ( (resid  22 and name HN   ))     4.06  2.26  0.04
 assign ((resid  21 and name HD1* ))   ( (resid  22 and name HN   ))     4.90  3.10  0.05
 assign ((resid  21 and name HD2* ))   ( (resid  22 and name HN   ))     4.90  3.10  0.05
 assign ((resid  22 and name HN   ))   ( (resid  23 and name HN   ))     3.29  1.49  0.03
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HB1  ))     2.86  1.06  0.03
 assign ((resid  22 and name HA   ))   ( (resid  24 and name HN   ))     4.75  2.95  0.05
 assign ((resid  24 and name HN   ))   ( (resid  24 and name HB2  ))     3.22  1.42  0.03
 assign ((resid  24 and name HN   ))   ( (resid  24 and name HB1  ))     3.22  1.42  0.03
 assign ((resid  23 and name HG2  ))   ( (resid  24 and name HN   ))     4.34  2.54  0.04
 assign ((resid  23 and name HG1  ))   ( (resid  24 and name HN   ))     4.34  2.54  0.04
 assign ((resid  21 and name HA   ))   ( (resid  24 and name HN   ))     3.81  2.01  0.04
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB   ))     3.92  2.12  0.04
 assign ((resid  21 and name HA   ))   ( (resid  25 and name HN   ))     4.70  2.90  0.05
 assign ((resid  24 and name HG2  ))   ( (resid  25 and name HN   ))     4.67  2.87  0.05
 assign ((resid  24 and name HG1  ))   ( (resid  25 and name HN   ))     4.67  2.87  0.05
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HG2* ))     3.85  2.05  0.04
 assign ((resid  25 and name HG2* ))   ( (resid  26 and name HN   ))     4.81  3.01  0.05
 assign ((resid   2 and name HA   ))   ( (resid  28 and name HN   ))     4.06  2.26  0.04
 assign ((resid  27 and name HA   ))   ( (resid  28 and name HN   ))     3.12  1.32  0.03
 assign ((resid  28 and name HN   ))   ( (resid  28 and name HB2  ))     3.69  1.89  0.04
 assign ((resid  28 and name HN   ))   ( (resid  28 and name HB1  ))     3.69  1.89  0.04
 assign ((resid  28 and name HA   ))   ( (resid  29 and name HN   ))     2.90  1.10  0.03
 assign ((resid  28 and name HB2  ))   ( (resid  29 and name HN   ))     5.16  3.36  0.05
 assign ((resid  28 and name HB1  ))   ( (resid  29 and name HN   ))     5.16  3.36  0.05
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HB   ))     3.41  1.61  0.03
 assign ((resid   4 and name HA   ))   ( (resid  30 and name HN   ))     3.70  1.90  0.04
 assign ((resid  29 and name HA   ))   ( (resid  30 and name HN   ))     2.80  1.00  0.03
 assign ((resid  30 and name HN   ))   ( (resid  30 and name HB2  ))     4.10  2.30  0.04
 assign ((resid  30 and name HN   ))   ( (resid  30 and name HB1  ))     4.10  2.30  0.04
 assign ((resid  30 and name HA   ))   ( (resid  31 and name HN   ))     3.04  1.24  0.03
 assign ((resid  31 and name HN   ))   ( (resid  31 and name HB   ))     4.11  2.31  0.04
 assign ((resid  18 and name HB*  ))   ( (resid  31 and name HN   ))     4.95  3.15  0.05
 assign ((resid   6 and name HA   ))   ( (resid  32 and name HN   ))     3.70  1.90  0.04
 assign ((resid  31 and name HA   ))   ( (resid  32 and name HN   ))     2.74  0.94  0.03
 assign ((resid  31 and name HN   ))   ( (resid  32 and name HN   ))     4.38  2.58  0.04
 assign ((resid  32 and name HN   ))   ( (resid  32 and name HB2  ))     3.66  1.86  0.04
 assign ((resid  32 and name HN   ))   ( (resid  32 and name HB1  ))     3.66  1.86  0.04
 assign ((resid   5 and name HB2  ))   ( (resid  32 and name HN   ))     4.90  3.10  0.05
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HB2  ))     3.76  1.96  0.04
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HB1  ))     3.76  1.96  0.04
 assign ((resid   7 and name HN   ))   ( (resid  34 and name HN   ))     4.78  2.98  0.05
 assign ((resid  33 and name HA   ))   ( (resid  34 and name HN   ))     3.03  1.23  0.03
 assign ((resid   8 and name HA   ))   ( (resid  34 and name HN   ))     3.82  2.02  0.04
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HG2  ))     4.21  2.41  0.04
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HG1  ))     4.21  2.41  0.04
 assign ((resid  34 and name HA   ))   ( (resid  35 and name HN   ))     2.96  1.16  0.03
 assign ((resid  34 and name HG2  ))   ( (resid  35 and name HN   ))     4.95  3.15  0.05
 assign ((resid  34 and name HG1  ))   ( (resid  35 and name HN   ))     4.95  3.15  0.05
 assign ((resid  35 and name HN   ))   ( (resid  35 and name HG2* ))     3.95  2.15  0.04
 assign ((resid   5 and name HB1  ))   ( (resid   5 and name HE   ))     4.59  2.79  0.05
 assign ((resid   4 and name HB2  ))   ( (resid   4 and name HE   ))     4.61  2.81  0.05
 assign ((resid   4 and name HB1  ))   ( (resid   4 and name HE   ))     4.61  2.81  0.05
 assign ((resid  24 and name HB2  ))   ( (resid  24 and name HE   ))     5.50  3.70  0.05
 assign ((resid  24 and name HB1  ))   ( (resid  24 and name HE   ))     5.50  3.70  0.05
 assign ((resid  23 and name HA   ))   ( (resid  23 and name HE   ))     5.50  3.70  0.05
 assign ((resid  23 and name HB2  ))   ( (resid  23 and name HE   ))     4.24  2.44  0.04
 assign ((resid  15 and name HA   ))   ( (resid  15 and name HE   ))     5.20  3.40  0.05
 assign ((resid   1 and name HB*  ))   ( (resid   2 and name HN   ))     3.87  2.07  0.04
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HB*  ))     3.56  1.76  0.04
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HG*  ))     4.81  3.01  0.05
 assign ((resid   2 and name HA   ))   ( (resid  28 and name HB*  ))     3.92  2.12  0.04
 assign ((resid   2 and name HA   ))   ( (resid  28 and name HG*  ))     3.83  2.03  0.04
 assign ((resid   2 and name HG*  ))   ( (resid  28 and name HN   ))     5.34  3.54  0.05
 assign ((resid   3 and name HN   ))   ( (resid   3 and name HB*  ))     3.50  1.70  0.04
 assign ((resid   3 and name HN   ))   ( (resid   3 and name HG*  ))     4.89  3.09  0.05
 assign ((resid   3 and name HN   ))   ( (resid  28 and name HG*  ))     4.33  2.53  0.04
 assign ((resid   3 and name HN   ))   ( (resid  29 and name HG*  ))     4.51  2.71  0.05
 assign ((resid   3 and name HB*  ))   ( (resid   3 and name HE*  ))     4.54  2.74  0.05
 assign ((resid   3 and name HB*  ))   ( (resid   4 and name HN   ))     3.48  1.68  0.03
 assign ((resid   3 and name HB*  ))   ( (resid  29 and name HG*  ))     4.41  2.61  0.04
 assign ((resid   3 and name HG*  ))   ( (resid   4 and name HN   ))     4.47  2.67  0.04
 assign ((resid   4 and name HN   ))   ( (resid   4 and name HB*  ))     3.61  1.81  0.04
 assign ((resid   4 and name HN   ))   ( (resid   4 and name HG*  ))     4.32  2.52  0.04
 assign ((resid   4 and name HA   ))   ( (resid  29 and name HG*  ))     4.73  2.93  0.05
 assign ((resid   4 and name HA   ))   ( (resid  30 and name HB*  ))     4.47  2.67  0.04
 assign ((resid   4 and name HB*  ))   ( (resid   4 and name HD*  ))     3.32  1.52  0.03
 assign ((resid   4 and name HB*  ))   ( (resid   4 and name HE   ))     4.01  2.21  0.04
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HG*  ))     4.27  2.47  0.04
 assign ((resid   5 and name HN   ))   ( (resid  29 and name HG*  ))     4.78  2.98  0.05
 assign ((resid   5 and name HN   ))   ( (resid  31 and name HG*  ))     4.71  2.91  0.05
 assign ((resid   5 and name HA   ))   ( (resid   5 and name HD*  ))     4.06  2.26  0.04
 assign ((resid   5 and name HB2  ))   ( (resid  31 and name HG*  ))     4.42  2.62  0.04
 assign ((resid   5 and name HG*  ))   ( (resid   5 and name HE   ))     3.67  1.87  0.04
 assign ((resid   5 and name HG*  ))   ( (resid  17 and name HE1  ))     4.99  3.19  0.05
 assign ((resid   5 and name HG*  ))   ( (resid  21 and name HD*  ))     4.23  2.43  0.04
 assign ((resid   5 and name HG*  ))   ( (resid  29 and name HG*  ))     4.00  2.20  0.04
 assign ((resid   5 and name HD*  ))   ( (resid   6 and name HN   ))     4.79  2.99  0.05
 assign ((resid   6 and name HN   ))   ( (resid   6 and name HB*  ))     3.32  1.52  0.03
 assign ((resid   6 and name HN   ))   ( (resid   6 and name HG*  ))     4.70  2.90  0.05
 assign ((resid   6 and name HA   ))   ( (resid  32 and name HB*  ))     4.21  2.41  0.04
 assign ((resid   6 and name HB*  ))   ( (resid   7 and name HN   ))     4.07  2.27  0.04
 assign ((resid   7 and name HN   ))   ( (resid  31 and name HG*  ))     4.67  2.87  0.05
 assign ((resid   7 and name HN   ))   ( (resid  34 and name HG*  ))     4.89  3.09  0.05
 assign ((resid   7 and name HB2  ))   ( (resid  31 and name HG*  ))     3.43  1.63  0.03
 assign ((resid   7 and name HB1  ))   ( (resid  31 and name HG*  ))     4.41  2.61  0.04
 assign ((resid   7 and name HD1  ))   ( (resid   9 and name HA*  ))     4.71  2.91  0.05
 assign ((resid   7 and name HD2  ))   ( (resid  31 and name HG*  ))     4.26  2.46  0.04
 assign ((resid   8 and name HN   ))   ( (resid   8 and name HB*  ))     3.21  1.41  0.03
 assign ((resid   8 and name HA   ))   ( (resid  34 and name HB*  ))     3.75  1.95  0.04
 assign ((resid   8 and name HA   ))   ( (resid  34 and name HG*  ))     4.52  2.72  0.05
 assign ((resid   8 and name HB*  ))   ( (resid   9 and name HN   ))     4.18  2.38  0.04
 assign ((resid   8 and name HG*  ))   ( (resid   9 and name HN   ))     5.24  3.44  0.05
 assign ((resid   9 and name HN   ))   ( (resid  34 and name HB*  ))     4.85  3.05  0.05
 assign ((resid   9 and name HA*  ))   ( (resid  13 and name HG*  ))     5.01  3.21  0.05
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HB*  ))     3.67  1.87  0.04
 assign ((resid  10 and name HN   ))   ( (resid  13 and name HB*  ))     4.59  2.79  0.05
 assign ((resid  10 and name HN   ))   ( (resid  13 and name HG*  ))     3.37  1.57  0.03
 assign ((resid  10 and name HB*  ))   ( (resid  11 and name HN   ))     3.06  1.26  0.03
 assign ((resid  10 and name HB*  ))   ( (resid  12 and name HN   ))     3.75  1.95  0.04
 assign ((resid  10 and name HB*  ))   ( (resid  13 and name HN   ))     4.82  3.02  0.05
 assign ((resid  10 and name HB*  ))   ( (resid  13 and name HG*  ))     5.18  3.38  0.05
 assign ((resid  11 and name HN   ))   ( (resid  14 and name HB*  ))     4.89  3.09  0.05
 assign ((resid  11 and name HA   ))   ( (resid  14 and name HB*  ))     3.88  2.08  0.04
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HB*  ))     2.78  0.98  0.03
 assign ((resid  12 and name HB*  ))   ( (resid  13 and name HN   ))     3.44  1.64  0.03
 assign ((resid  12 and name HB*  ))   ( (resid  14 and name HN   ))     5.33  3.53  0.05
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HB*  ))     3.63  1.83  0.04
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HG*  ))     3.22  1.42  0.03
 assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   ))     4.17  2.37  0.04
 assign ((resid  13 and name HG*  ))   ( (resid  14 and name HN   ))     4.37  2.57  0.04
 assign ((resid  14 and name HN   ))   ( (resid  14 and name HB*  ))     2.90  1.10  0.03
 assign ((resid  14 and name HN   ))   ( (resid  15 and name HB*  ))     5.34  3.54  0.05
 assign ((resid  14 and name HA   ))   ( (resid  31 and name HG*  ))     4.23  2.43  0.04
 assign ((resid  14 and name HB*  ))   ( (resid  15 and name HN   ))     3.18  1.38  0.03
 assign ((resid  14 and name HB*  ))   ( (resid  31 and name HG*  ))     3.93  2.13  0.04
 assign ((resid  14 and name HB*  ))   ( (resid  33 and name HB*  ))     4.37  2.57  0.04
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HB*  ))     2.81  1.01  0.03
 assign ((resid  15 and name HN   ))   ( (resid  15 and name HG*  ))     3.54  1.74  0.04
 assign ((resid  16 and name HN   ))   ( (resid  16 and name HG*  ))     3.69  1.89  0.04
 assign ((resid  16 and name HG*  ))   ( (resid  17 and name HN   ))     4.73  2.93  0.05
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB*  ))     4.13  2.33  0.04
 assign ((resid  17 and name HB1  ))   ( (resid  31 and name HG*  ))     4.72  2.92  0.05
 assign ((resid  17 and name HD1  ))   ( (resid  21 and name HD*  ))     4.69  2.89  0.05
 assign ((resid  17 and name HD1  ))   ( (resid  31 and name HG*  ))     3.07  1.27  0.03
 assign ((resid  17 and name HE1  ))   ( (resid  21 and name HD*  ))     3.44  1.64  0.03
 assign ((resid  17 and name HE1  ))   ( (resid  31 and name HG*  ))     3.73  1.93  0.04
 assign ((resid  18 and name HN   ))   ( (resid  31 and name HG*  ))     4.54  2.74  0.05
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HB*  ))     4.10  2.30  0.04
 assign ((resid  18 and name HA   ))   ( (resid  21 and name HD*  ))     4.04  2.24  0.04
 assign ((resid  18 and name HA   ))   ( (resid  31 and name HG*  ))     3.59  1.79  0.04
 assign ((resid  18 and name HB*  ))   ( (resid  31 and name HG*  ))     3.24  1.44  0.03
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HB*  ))     3.32  1.52  0.03
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG*  ))     4.51  2.71  0.05
 assign ((resid  19 and name HB*  ))   ( (resid  20 and name HN   ))     3.57  1.77  0.04
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HB*  ))     3.29  1.49  0.03
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HG*  ))     3.58  1.78  0.04
 assign ((resid  20 and name HB*  ))   ( (resid  21 and name HN   ))     3.25  1.45  0.03
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HB*  ))     2.85  1.05  0.03
 assign ((resid  21 and name HN   ))   ( (resid  21 and name HD*  ))     4.37  2.57  0.04
 assign ((resid  21 and name HA   ))   ( (resid  21 and name HD*  ))     3.05  1.25  0.03
 assign ((resid  21 and name HA   ))   ( (resid  24 and name HB*  ))     4.33  2.53  0.04
 assign ((resid  21 and name HB*  ))   ( (resid  22 and name HN   ))     3.43  1.63  0.03
 assign ((resid  21 and name HD*  ))   ( (resid  22 and name HN   ))     4.20  2.40  0.04
 assign ((resid  21 and name HD*  ))   ( (resid  22 and name HA   ))     4.38  2.58  0.04
 assign ((resid  21 and name HD*  ))   ( (resid  22 and name HB*  ))     4.76  2.96  0.05
 assign ((resid  21 and name HD*  ))   ( (resid  23 and name HN   ))     5.44  3.64  0.05
 assign ((resid  21 and name HD*  ))   ( (resid  24 and name HN   ))     4.63  2.83  0.05
 assign ((resid  21 and name HD*  ))   ( (resid  24 and name HE   ))     5.43  3.63  0.05
 assign ((resid  21 and name HD*  ))   ( (resid  25 and name HN   ))     5.05  3.25  0.05
 assign ((resid  21 and name HD*  ))   ( (resid  31 and name HG*  ))     3.33  1.53  0.03
 assign ((resid  22 and name HN   ))   ( (resid  24 and name HB*  ))     5.34  3.54  0.05
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HG*  ))     3.53  1.73  0.04
 assign ((resid  23 and name HG*  ))   ( (resid  24 and name HN   ))     3.61  1.81  0.04
 assign ((resid  23 and name HG*  ))   ( (resid  24 and name HA   ))     4.34  2.54  0.04
 assign ((resid  24 and name HN   ))   ( (resid  24 and name HB*  ))     2.78  0.98  0.03
 assign ((resid  24 and name HB*  ))   ( (resid  24 and name HE   ))     4.69  2.89  0.05
 assign ((resid  24 and name HB*  ))   ( (resid  25 and name HN   ))     3.73  1.93  0.04
 assign ((resid  24 and name HG*  ))   ( (resid  25 and name HN   ))     3.98  2.18  0.04
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HB*  ))     3.25  1.45  0.03
 assign ((resid  27 and name HB*  ))   ( (resid  28 and name HN   ))     3.27  1.47  0.03
 assign ((resid  27 and name HB*  ))   ( (resid  29 and name HG*  ))     4.58  2.78  0.05
 assign ((resid  28 and name HN   ))   ( (resid  28 and name HB*  ))     3.23  1.43  0.03
 assign ((resid  28 and name HA   ))   ( (resid  29 and name HG*  ))     4.68  2.88  0.05
 assign ((resid  28 and name HB*  ))   ( (resid  29 and name HN   ))     4.43  2.63  0.04
 assign ((resid  29 and name HN   ))   ( (resid  29 and name HG*  ))     3.57  1.77  0.04
 assign ((resid  29 and name HG*  ))   ( (resid  30 and name HN   ))     3.61  1.81  0.04
 assign ((resid  30 and name HN   ))   ( (resid  30 and name HB*  ))     3.51  1.71  0.04
 assign ((resid  30 and name HB*  ))   ( (resid  31 and name HN   ))     3.90  2.10  0.04
 assign ((resid  30 and name HG*  ))   ( (resid  31 and name HN   ))     3.44  1.64  0.03
 assign ((resid  31 and name HN   ))   ( (resid  31 and name HG*  ))     4.18  2.38  0.04
 assign ((resid  31 and name HG*  ))   ( (resid  32 and name HN   ))     3.70  1.90  0.04
 assign ((resid  31 and name HG*  ))   ( (resid  32 and name HA   ))     4.08  2.28  0.04
 assign ((resid  31 and name HG*  ))   ( (resid  33 and name HN   ))     4.83  3.03  0.05
 assign ((resid  31 and name HG*  ))   ( (resid  33 and name HB*  ))     4.74  2.94  0.05
 assign ((resid  32 and name HN   ))   ( (resid  32 and name HB*  ))     3.19  1.39  0.03
 assign ((resid  33 and name HN   ))   ( (resid  33 and name HB*  ))     3.07  1.27  0.03
 assign ((resid  33 and name HN   ))   ( (resid  34 and name HG*  ))     4.88  3.08  0.05
 assign ((resid  34 and name HN   ))   ( (resid  34 and name HB*  ))     3.54  1.74  0.04
 assign ((resid  34 and name HG*  ))   ( (resid  35 and name HN   ))     4.33  2.53  0.04
# Restraints file 2: W35_hbonds.tbl
assign (resid   10 and name O    ) (resid   14 and name HN   )   2.00   0.20   0.00
assign (resid   10 and name O    ) (resid   14 and name N    )   3.00   0.30   0.00
assign (resid   11 and name O    ) (resid   15 and name HN   )   2.00   0.20   0.00
assign (resid   11 and name O    ) (resid   15 and name N    )   3.00   0.30   0.00
assign (resid   12 and name O    ) (resid   16 and name HN   )   2.00   0.20   0.00
assign (resid   12 and name O    ) (resid   16 and name N    )   3.00   0.30   0.00
assign (resid   13 and name O    ) (resid   17 and name HN   )   2.00   0.20   0.00
assign (resid   13 and name O    ) (resid   17 and name N    )   3.00   0.30   0.00
assign (resid   14 and name O    ) (resid   18 and name HN   )   2.00   0.20   0.00
assign (resid   14 and name O    ) (resid   18 and name N    )   3.00   0.30   0.00
assign (resid   15 and name O    ) (resid   19 and name HN   )   2.00   0.20   0.00
assign (resid   15 and name O    ) (resid   19 and name N    )   3.00   0.30   0.00
assign (resid   16 and name O    ) (resid   20 and name HN   )   2.00   0.20   0.00
assign (resid   16 and name O    ) (resid   20 and name N    )   3.00   0.30   0.00
assign (resid   17 and name O    ) (resid   21 and name HN   )   2.00   0.20   0.00
assign (resid   17 and name O    ) (resid   21 and name N    )   3.00   0.30   0.00
assign (resid   18 and name O    ) (resid   22 and name HN   )   2.00   0.20   0.00
assign (resid   18 and name O    ) (resid   22 and name N    )   3.00   0.30   0.00
assign (resid   19 and name O    ) (resid   23 and name HN   )   2.00   0.20   0.00
assign (resid   19 and name O    ) (resid   23 and name N    )   3.00   0.30   0.00
assign (resid   20 and name O    ) (resid   24 and name HN   )   2.00   0.20   0.00
assign (resid   20 and name O    ) (resid   24 and name N    )   3.00   0.30   0.00
assign (resid   21 and name O    ) (resid   25 and name HN   )   2.00   0.20   0.00
assign (resid   21 and name O    ) (resid   25 and name N    )   3.00   0.30   0.00
assign (resid    3 and name HN   ) (resid   28 and name O    )   2.00   0.20   0.00
assign (resid    3 and name N    ) (resid   28 and name O    )   3.00   0.30   0.00
assign (resid    5 and name HN   ) (resid   30 and name O    )   2.00   0.20   0.00
assign (resid    5 and name N    ) (resid   30 and name O    )   3.00   0.30   0.00
assign (resid    7 and name HN   ) (resid   32 and name O    )   2.00   0.20   0.00
assign (resid    7 and name N    ) (resid   32 and name O    )   3.00   0.30   0.00
assign (resid    9 and name HN   ) (resid   34 and name O    )   2.00   0.20   0.00
assign (resid    9 and name N    ) (resid   34 and name O    )   3.00   0.30   0.00
assign (resid    1 and name O    ) (resid   28 and name HN   )   2.00   0.20   0.00
assign (resid    1 and name O    ) (resid   28 and name N    )   3.00   0.30   0.00
assign (resid    3 and name O    ) (resid   30 and name HN   )   2.00   0.20   0.00
assign (resid    3 and name O    ) (resid   30 and name N    )   3.00   0.30   0.00
assign (resid    5 and name O    ) (resid   32 and name HN   )   2.00   0.20   0.00
assign (resid    5 and name O    ) (resid   32 and name N    )   3.00   0.30   0.00
assign (resid    7 and name O    ) (resid   34 and name HN   )   2.00   0.20   0.00
assign (resid    7 and name O    ) (resid   34 and name N    )   3.00   0.30   0.00
# Restraints file 3: W35_aco.tbl
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -139.0   25.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  140.0   40.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -139.0   25.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  140.0   40.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -139.0   25.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  140.0   40.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -139.0   25.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  140.0   40.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -139.0   25.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  140.0   40.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -139.0   25.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  140.0   40.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -57.0   25.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -47.0   30.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -57.0   25.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -47.0   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  -57.0   25.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -47.0   30.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -57.0   25.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -47.0   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  -57.0   25.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -47.0   30.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -57.0   25.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -47.0   30.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -57.0   25.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -47.0   30.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -57.0   25.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -47.0   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  -57.0   25.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -47.0   30.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -57.0   25.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -47.0   30.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -57.0   25.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -47.0   30.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -57.0   25.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -47.0   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  -57.0   25.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -47.0   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  -57.0   25.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -47.0   30.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0 -139.0   25.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  140.0   40.0 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0 -139.0   25.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  140.0   40.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0 -139.0   25.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  140.0   40.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0 -139.0   25.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  140.0   40.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0 -139.0   25.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  140.0   40.0 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0 -139.0   25.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  140.0   40.0 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0 -139.0   25.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  140.0   40.0 2
# Restraints file 4: ssbond.upl
  1 CYSS SG     27 CYSS SG      2.10 
  1 CYSS SG     27 CYSS CB      3.10 
  1 CYSS CB     27 CYSS SG      3.10 
 14 CYSS SG     33 CYSS SG      2.10 
 14 CYSS SG     33 CYSS CB      3.10 
 14 CYSS CB     33 CYSS SG      3.10 
 
# Restraints file 5: ssbond.lol
  1 CYSS SG     27 CYSS SG      2.00 
  1 CYSS SG     27 CYSS CB      3.00 
  1 CYSS CB     27 CYSS SG      3.00 
 14 CYSS SG     33 CYSS SG      2.00 
 14 CYSS SG     33 CYSS CB      3.00 
 14 CYSS CB     33 CYSS SG      3.00 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1          1H        CYS   1 -15.025  -0.163   1.732
    2    H2   CYS   1          2H        CYS   1 -15.250  -1.685   1.033
    3    H3   CYS   1          3H        CYS   1 -16.032  -0.334   0.387
    4    HA   CYS   1           HA       CYS   1 -14.170  -0.998  -0.963
    5    HB2  CYS   1          2HB       CYS   1 -12.944   1.282  -0.813
    6    HB3  CYS   1          1HB       CYS   1 -14.667   1.284  -1.176
    7    H    LYS   2           H        LYS   2 -13.025  -2.741  -0.157
    8    HA   LYS   2           HA       LYS   2 -10.518  -2.035   1.237
    9    HB2  LYS   2          1HB       LYS   2 -12.065  -4.645   1.334
   10    HB3  LYS   2          2HB       LYS   2 -10.456  -4.419   2.003
   11    HG2  LYS   2          1HG       LYS   2 -11.325  -2.794   3.596
   12    HG3  LYS   2          2HG       LYS   2 -12.938  -2.953   2.896
   13    HD2  LYS   2          1HD       LYS   2 -13.056  -5.271   3.581
   14    HD3  LYS   2          2HD       LYS   2 -11.388  -5.228   4.151
   15    HE2  LYS   2          1HE       LYS   2 -13.650  -3.576   5.284
   16    HE3  LYS   2          2HE       LYS   2 -13.051  -5.081   5.979
   17    HZ1  LYS   2          1HZ       LYS   2 -11.603  -2.510   5.723
   18    HZ2  LYS   2          2HZ       LYS   2 -10.832  -3.958   6.117
   19    HZ3  LYS   2          3HZ       LYS   2 -12.021  -3.326   7.141
   20    H    GLN   3           H        GLN   3  -9.215  -1.755  -0.526
   21    HA   GLN   3           HA       GLN   3  -9.349  -3.787  -2.671
   22    HB2  GLN   3          1HB       GLN   3  -8.470  -0.903  -2.978
   23    HB3  GLN   3          2HB       GLN   3  -8.735  -2.072  -4.263
   24    HG2  GLN   3          1HG       GLN   3 -10.853  -0.885  -2.471
   25    HG3  GLN   3          2HG       GLN   3 -10.555  -0.466  -4.155
   26   HE21  GLN   3          1HE2      GLN   3 -12.279  -3.222  -5.470
   27   HE22  GLN   3          2HE2      GLN   3 -11.174  -1.928  -5.776
   28    H    ARG   4           H        ARG   4  -7.159  -3.691  -3.996
   29    HA   ARG   4           HA       ARG   4  -4.866  -3.296  -2.263
   30    HB2  ARG   4          1HB       ARG   4  -4.094  -5.686  -2.703
   31    HB3  ARG   4          2HB       ARG   4  -5.371  -5.463  -1.516
   32    HG2  ARG   4          1HG       ARG   4  -7.040  -6.112  -3.204
   33    HG3  ARG   4          2HG       ARG   4  -5.741  -6.368  -4.372
   34    HD2  ARG   4          1HD       ARG   4  -6.590  -8.444  -3.211
   35    HD3  ARG   4          2HD       ARG   4  -4.850  -8.178  -3.120
   36    HE   ARG   4           HE       ARG   4  -5.073  -7.586  -0.841
   37   HH11  ARG   4          1HH1      ARG   4  -8.072  -8.724  -2.246
   38   HH12  ARG   4          2HH1      ARG   4  -8.822  -9.024  -0.716
   39   HH21  ARG   4          1HH2      ARG   4  -6.047  -7.994   1.178
   40   HH22  ARG   4          2HH2      ARG   4  -7.664  -8.621   1.241
   41    H    ARG   5           H        ARG   5  -2.866  -3.387  -3.299
   42    HA   ARG   5           HA       ARG   5  -2.882  -3.517  -6.245
   43    HB2  ARG   5          1HB       ARG   5  -1.534  -1.413  -4.526
   44    HB3  ARG   5          2HB       ARG   5  -1.228  -1.627  -6.242
   45    HG2  ARG   5          1HG       ARG   5  -3.576  -1.060  -6.721
   46    HG3  ARG   5          2HG       ARG   5  -3.855  -0.814  -4.993
   47    HD2  ARG   5          1HD       ARG   5  -2.161   0.955  -4.970
   48    HD3  ARG   5          2HD       ARG   5  -1.860   0.698  -6.687
   49    HE   ARG   5           HE       ARG   5  -4.577   1.270  -6.370
   50   HH11  ARG   5          1HH1      ARG   5  -1.476   2.840  -5.981
   51   HH12  ARG   5          2HH1      ARG   5  -2.087   4.426  -6.318
   52   HH21  ARG   5          1HH2      ARG   5  -5.392   3.385  -6.802
   53   HH22  ARG   5          2HH2      ARG   5  -4.302   4.734  -6.771
   54    H    ARG   6           H        ARG   6  -0.739  -3.925  -7.156
   55    HA   ARG   6           HA       ARG   6   1.111  -5.211  -5.249
   56    HB2  ARG   6          1HB       ARG   6   0.648  -5.801  -8.185
   57    HB3  ARG   6          2HB       ARG   6   1.970  -6.481  -7.243
   58    HG2  ARG   6          1HG       ARG   6   0.195  -7.423  -5.684
   59    HG3  ARG   6          2HG       ARG   6  -0.983  -6.969  -6.918
   60    HD2  ARG   6          1HD       ARG   6   1.380  -8.801  -7.345
   61    HD3  ARG   6          2HD       ARG   6  -0.281  -9.329  -7.088
   62    HE   ARG   6           HE       ARG   6  -0.809  -8.102  -9.196
   63   HH11  ARG   6          1HH1      ARG   6   2.463  -9.214  -8.602
   64   HH12  ARG   6          2HH1      ARG   6   2.829  -9.433 -10.281
   65   HH21  ARG   6          1HH2      ARG   6  -0.337  -8.404 -11.398
   66   HH22  ARG   6          2HH2      ARG   6   1.229  -8.985 -11.875
   67    H    TYR   7           H        TYR   7   2.820  -4.054  -4.863
   68    HA   TYR   7           HA       TYR   7   3.639  -1.961  -6.770
   69    HB2  TYR   7          2HB       TYR   7   2.627  -1.069  -4.732
   70    HB3  TYR   7          1HB       TYR   7   3.713  -2.028  -3.738
   71    HD1  TYR   7          1HD       TYR   7   5.870  -1.208  -3.159
   72    HD2  TYR   7          2HD       TYR   7   3.554   0.808  -6.106
   73    HE1  TYR   7          1HE       TYR   7   7.446   0.678  -3.096
   74    HE2  TYR   7          2HE       TYR   7   5.129   2.695  -6.059
   75    HH   TYR   7           HH       TYR   7   8.164   2.522  -4.545
   76    H    ARG   8           H        ARG   8   5.838  -1.655  -7.130
   77    HA   ARG   8           HA       ARG   8   7.598  -3.753  -6.047
   78    HB2  ARG   8          1HB       ARG   8   7.241  -3.930  -8.484
   79    HB3  ARG   8          2HB       ARG   8   7.837  -2.285  -8.684
   80    HG2  ARG   8          1HG       ARG   8  10.027  -2.957  -7.843
   81    HG3  ARG   8          2HG       ARG   8   9.437  -4.600  -7.589
   82    HD2  ARG   8          1HD       ARG   8   9.024  -4.807 -10.011
   83    HD3  ARG   8          2HD       ARG   8   9.654  -3.173 -10.245
   84    HE   ARG   8           HE       ARG   8  11.519  -4.823  -8.867
   85   HH11  ARG   8          1HH1      ARG   8  10.270  -4.151 -12.079
   86   HH12  ARG   8          2HH1      ARG   8  11.719  -4.687 -12.873
   87   HH21  ARG   8          1HH2      ARG   8  13.402  -5.513  -9.919
   88   HH22  ARG   8          2HH2      ARG   8  13.493  -5.445 -11.652
   89    H    GLY   9           H        GLY   9   9.327  -3.145  -4.917
   90    HA2  GLY   9          1HA       GLY   9  11.043  -1.063  -5.235
   91    HA3  GLY   9          2HA       GLY   9   9.726  -0.355  -4.307
   92    H    SER  10           H        SER  10  11.327  -0.033  -2.625
   93    HA   SER  10           HA       SER  10  12.424  -2.334  -1.280
   94    HB2  SER  10          1HB       SER  10  12.270   0.554  -0.354
   95    HB3  SER  10          2HB       SER  10  13.305  -0.709   0.318
   96    HG   SER  10           HG       SER  10  13.699  -0.565  -2.326
   97    H    GLU  11           H        GLU  11  11.863  -3.005   0.855
   98    HA   GLU  11           HA       GLU  11   9.226  -3.497   1.389
   99    HB2  GLU  11          1HB       GLU  11  11.366  -3.154   3.506
  100    HB3  GLU  11          2HB       GLU  11   9.908  -4.130   3.632
  101    HG2  GLU  11          1HG       GLU  11  10.738  -5.631   1.906
  102    HG3  GLU  11          2HG       GLU  11  12.182  -4.636   1.716
  103    H    GLU  12           H        GLU  12  11.216  -0.922   2.809
  104    HA   GLU  12           HA       GLU  12   9.260   0.271   4.412
  105    HB2  GLU  12          1HB       GLU  12  11.667   0.730   4.602
  106    HB3  GLU  12          2HB       GLU  12  11.643   1.545   3.045
  107    HG2  GLU  12          1HG       GLU  12  10.139   3.250   3.971
  108    HG3  GLU  12          2HG       GLU  12  10.191   2.431   5.533
  109    H    GLU  13           H        GLU  13  10.226   0.946   1.073
  110    HA   GLU  13           HA       GLU  13   8.518   3.122   0.597
  111    HB2  GLU  13          1HB       GLU  13   9.625   1.051  -1.320
  112    HB3  GLU  13          2HB       GLU  13   8.810   2.530  -1.821
  113    HG2  GLU  13          1HG       GLU  13  11.325   2.436  -0.160
  114    HG3  GLU  13          2HG       GLU  13  11.280   2.670  -1.907
  115    H    CYS  14           H        CYS  14   8.037  -0.349   0.316
  116    HA   CYS  14           HA       CYS  14   5.452  -0.286  -0.812
  117    HB2  CYS  14          2HB       CYS  14   6.797  -2.382   0.924
  118    HB3  CYS  14          1HB       CYS  14   5.293  -2.632   0.036
  119    H    ARG  15           H        ARG  15   6.625  -0.325   2.526
  120    HA   ARG  15           HA       ARG  15   4.071  -0.458   3.762
  121    HB2  ARG  15          1HB       ARG  15   6.665   0.649   4.874
  122    HB3  ARG  15          2HB       ARG  15   5.246   0.222   5.819
  123    HG2  ARG  15          1HG       ARG  15   6.966  -1.686   4.234
  124    HG3  ARG  15          2HG       ARG  15   6.949  -1.501   5.988
  125    HD2  ARG  15          1HD       ARG  15   4.625  -2.415   4.284
  126    HD3  ARG  15          2HD       ARG  15   5.663  -3.459   5.255
  127    HE   ARG  15           HE       ARG  15   4.546  -1.446   6.887
  128   HH11  ARG  15          1HH1      ARG  15   3.657  -4.390   5.202
  129   HH12  ARG  15          2HH1      ARG  15   2.361  -4.773   6.294
  130   HH21  ARG  15          1HH2      ARG  15   2.842  -1.947   8.315
  131   HH22  ARG  15          2HH2      ARG  15   1.891  -3.376   8.055
  132    H    LYS  16           H        LYS  16   6.105   2.179   2.642
  133    HA   LYS  16           HA       LYS  16   4.646   4.269   3.877
  134    HB2  LYS  16          1HB       LYS  16   6.897   4.725   3.379
  135    HB3  LYS  16          2HB       LYS  16   6.779   4.031   1.770
  136    HG2  LYS  16          1HG       LYS  16   6.995   6.385   1.591
  137    HG3  LYS  16          2HG       LYS  16   5.379   5.906   1.092
  138    HD2  LYS  16          1HD       LYS  16   5.295   7.943   2.450
  139    HD3  LYS  16          2HD       LYS  16   4.490   6.607   3.272
  140    HE2  LYS  16          1HE       LYS  16   5.856   7.881   4.831
  141    HE3  LYS  16          2HE       LYS  16   6.495   6.250   4.644
  142    HZ1  LYS  16          1HZ       LYS  16   8.194   7.093   3.184
  143    HZ2  LYS  16          2HZ       LYS  16   8.229   7.962   4.634
  144    HZ3  LYS  16          3HZ       LYS  16   7.546   8.654   3.249
  145    H    TYR  17           H        TYR  17   4.712   2.751   0.708
  146    HA   TYR  17           HA       TYR  17   2.836   4.332  -0.633
  147    HB2  TYR  17          2HB       TYR  17   4.333   2.585  -1.642
  148    HB3  TYR  17          1HB       TYR  17   3.317   1.346  -0.920
  149    HD1  TYR  17          1HD       TYR  17   1.485   0.503  -2.112
  150    HD2  TYR  17          2HD       TYR  17   3.211   4.208  -3.304
  151    HE1  TYR  17          1HE       TYR  17   0.097   0.490  -4.140
  152    HE2  TYR  17          2HE       TYR  17   1.824   4.204  -5.333
  153    HH   TYR  17           HH       TYR  17   0.675   2.530  -6.760
  154    H    ALA  18           H        ALA  18   2.467   1.440   1.379
  155    HA   ALA  18           HA       ALA  18  -0.314   1.128   1.159
  156    HB1  ALA  18          1HB       ALA  18  -0.149  -0.278   3.136
  157    HB2  ALA  18          2HB       ALA  18   1.451   0.372   3.494
  158    HB3  ALA  18          3HB       ALA  18   1.199  -0.599   2.043
  159    H    GLU  19           H        GLU  19   1.578   2.750   3.735
  160    HA   GLU  19           HA       GLU  19  -0.678   3.488   5.258
  161    HB2  GLU  19          1HB       GLU  19   0.823   4.964   6.503
  162    HB3  GLU  19          2HB       GLU  19   1.564   3.393   6.240
  163    HG2  GLU  19          1HG       GLU  19   2.899   4.336   4.415
  164    HG3  GLU  19          2HG       GLU  19   2.159   5.910   4.689
  165    H    GLU  20           H        GLU  20   1.200   5.282   2.830
  166    HA   GLU  20           HA       GLU  20  -0.160   7.718   2.983
  167    HB2  GLU  20          1HB       GLU  20   1.317   6.336   0.755
  168    HB3  GLU  20          2HB       GLU  20   0.512   7.874   0.475
  169    HG2  GLU  20          1HG       GLU  20   2.617   7.402   2.581
  170    HG3  GLU  20          2HG       GLU  20   2.925   8.086   0.984
  171    H    LEU  21           H        LEU  21  -0.755   4.940   0.826
  172    HA   LEU  21           HA       LEU  21  -3.004   5.981  -0.465
  173    HB2  LEU  21          1HB       LEU  21  -1.718   3.379  -0.197
  174    HB3  LEU  21          2HB       LEU  21  -3.462   3.231  -0.314
  175    HG   LEU  21           HG       LEU  21  -1.663   4.613  -2.312
  176   HD11  LEU  21          1HD1      LEU  21  -3.193   2.018  -2.465
  177   HD12  LEU  21          2HD1      LEU  21  -1.441   2.203  -2.394
  178   HD13  LEU  21          3HD1      LEU  21  -2.331   2.778  -3.803
  179   HD21  LEU  21          1HD2      LEU  21  -4.659   4.197  -2.315
  180   HD22  LEU  21          2HD2      LEU  21  -3.712   4.804  -3.676
  181   HD23  LEU  21          3HD2      LEU  21  -3.809   5.739  -2.182
  182    H    SER  22           H        SER  22  -2.745   4.140   2.532
  183    HA   SER  22           HA       SER  22  -5.527   3.680   2.781
  184    HB2  SER  22          1HB       SER  22  -3.770   2.264   3.850
  185    HB3  SER  22          2HB       SER  22  -3.419   3.586   4.962
  186    HG   SER  22           HG       SER  22  -5.872   3.379   5.339
  187    H    ARG  23           H        ARG  23  -3.372   6.208   4.014
  188    HA   ARG  23           HA       ARG  23  -5.466   7.397   5.628
  189    HB2  ARG  23          1HB       ARG  23  -3.842   9.151   6.132
  190    HB3  ARG  23          2HB       ARG  23  -3.123   7.561   6.347
  191    HG2  ARG  23          1HG       ARG  23  -2.029   7.787   4.142
  192    HG3  ARG  23          2HG       ARG  23  -2.699   9.412   4.002
  193    HD2  ARG  23          1HD       ARG  23  -0.344   9.379   4.785
  194    HD3  ARG  23          2HD       ARG  23  -1.450  10.150   5.921
  195    HE   ARG  23           HE       ARG  23  -1.412   7.998   7.171
  196   HH11  ARG  23          1HH1      ARG  23   1.264   8.783   5.047
  197   HH12  ARG  23          2HH1      ARG  23   2.407   7.852   5.963
  198   HH21  ARG  23          1HH2      ARG  23   0.092   6.772   8.350
  199   HH22  ARG  23          2HH2      ARG  23   1.747   6.702   7.818
  200    H    ARG  24           H        ARG  24  -4.126   7.802   2.439
  201    HA   ARG  24           HA       ARG  24  -5.166  10.392   1.911
  202    HB2  ARG  24          1HB       ARG  24  -3.324   9.044   0.654
  203    HB3  ARG  24          2HB       ARG  24  -4.665   8.326  -0.225
  204    HG2  ARG  24          1HG       ARG  24  -3.760  10.153  -1.502
  205    HG3  ARG  24          2HG       ARG  24  -5.370  10.599  -0.928
  206    HD2  ARG  24          1HD       ARG  24  -3.746  12.439  -0.687
  207    HD3  ARG  24          2HD       ARG  24  -4.401  11.920   0.864
  208    HE   ARG  24           HE       ARG  24  -1.759  10.998  -0.092
  209   HH11  ARG  24          1HH1      ARG  24  -3.791  12.392   2.405
  210   HH12  ARG  24          2HH1      ARG  24  -2.508  12.482   3.571
  211   HH21  ARG  24          1HH2      ARG  24  -0.073  11.110   1.451
  212   HH22  ARG  24          2HH2      ARG  24  -0.391  11.777   3.022
  213    H    THR  25           H        THR  25  -6.271   7.125   1.116
  214    HA   THR  25           HA       THR  25  -8.859   8.155   0.216
  215    HB   THR  25           HB       THR  25  -7.898   5.278   0.256
  216    HG1  THR  25          1HG       THR  25  -6.480   6.307  -1.080
  217   HG21  THR  25          1HG2      THR  25  -9.588   4.981  -1.515
  218   HG22  THR  25          2HG2      THR  25 -10.062   6.671  -1.341
  219   HG23  THR  25          3HG2      THR  25 -10.318   5.541  -0.010
  220    H    GLY  26           H        GLY  26 -10.683   7.969   1.441
  221    HA2  GLY  26          1HA       GLY  26 -10.494   7.097   4.175
  222    HA3  GLY  26          2HA       GLY  26 -11.937   7.688   3.361
  223    H    CYS  27           H        CYS  27  -9.761   4.902   3.046
  224    HA   CYS  27           HA       CYS  27 -11.909   3.006   3.402
  225    HB2  CYS  27          2HB       CYS  27 -10.511   3.359   0.734
  226    HB3  CYS  27          1HB       CYS  27 -11.373   1.890   1.179
  227    H    GLU  28           H        GLU  28 -10.689   0.726   2.515
  228    HA   GLU  28           HA       GLU  28  -8.093   0.769   3.924
  229    HB2  GLU  28          1HB       GLU  28  -9.788  -0.576   5.081
  230    HB3  GLU  28          2HB       GLU  28 -10.063  -1.512   3.617
  231    HG2  GLU  28          1HG       GLU  28  -7.878  -2.470   3.728
  232    HG3  GLU  28          2HG       GLU  28  -7.407  -1.385   5.037
  233    H    VAL  29           H        VAL  29  -6.369   0.304   2.758
  234    HA   VAL  29           HA       VAL  29  -6.702  -1.157   0.225
  235    HB   VAL  29           HB       VAL  29  -4.816   1.164   0.707
  236   HG11  VAL  29          1HG1      VAL  29  -4.287   0.956  -1.695
  237   HG12  VAL  29          2HG1      VAL  29  -5.291  -0.492  -1.777
  238   HG13  VAL  29          3HG1      VAL  29  -3.832  -0.486  -0.787
  239   HG21  VAL  29          1HG2      VAL  29  -7.289   1.008  -1.023
  240   HG22  VAL  29          2HG2      VAL  29  -6.171   2.370  -0.956
  241   HG23  VAL  29          3HG2      VAL  29  -7.117   1.935   0.469
  242    H    GLU  30           H        GLU  30  -5.270  -2.731  -0.152
  243    HA   GLU  30           HA       GLU  30  -3.162  -3.223   1.849
  244    HB2  GLU  30          1HB       GLU  30  -5.006  -4.893   1.808
  245    HB3  GLU  30          2HB       GLU  30  -4.672  -5.199   0.110
  246    HG2  GLU  30          1HG       GLU  30  -2.390  -5.949   0.761
  247    HG3  GLU  30          2HG       GLU  30  -2.867  -5.781   2.452
  248    H    VAL  31           H        VAL  31  -1.112  -3.769   1.084
  249    HA   VAL  31           HA       VAL  31  -0.732  -3.470  -1.829
  250    HB   VAL  31           HB       VAL  31   1.091  -2.409   0.350
  251   HG11  VAL  31          1HG1      VAL  31   1.321  -2.194  -2.659
  252   HG12  VAL  31          2HG1      VAL  31   2.359  -3.149  -1.600
  253   HG13  VAL  31          3HG1      VAL  31   2.369  -1.388  -1.487
  254   HG21  VAL  31          1HG2      VAL  31  -0.937  -1.066   0.129
  255   HG22  VAL  31          2HG2      VAL  31  -0.676  -0.931  -1.609
  256   HG23  VAL  31          3HG2      VAL  31   0.461  -0.183  -0.489
  257    H    GLU  32           H        GLU  32   0.767  -4.743  -2.791
  258    HA   GLU  32           HA       GLU  32   2.029  -6.841  -1.140
  259    HB2  GLU  32          1HB       GLU  32   0.351  -7.578  -2.877
  260    HB3  GLU  32          2HB       GLU  32   1.406  -6.904  -4.111
  261    HG2  GLU  32          1HG       GLU  32   3.178  -8.468  -3.424
  262    HG3  GLU  32          2HG       GLU  32   2.083  -9.157  -2.224
  263    H    CYS  33           H        CYS  33   4.270  -7.181  -1.454
  264    HA   CYS  33           HA       CYS  33   5.559  -4.862  -2.750
  265    HB2  CYS  33          2HB       CYS  33   5.619  -4.928  -0.235
  266    HB3  CYS  33          1HB       CYS  33   6.574  -6.403  -0.345
  267    H    GLU  34           H        GLU  34   6.563  -5.413  -4.522
  268    HA   GLU  34           HA       GLU  34   8.025  -7.972  -4.650
  269    HB2  GLU  34          1HB       GLU  34   6.965  -6.299  -6.953
  270    HB3  GLU  34          2HB       GLU  34   7.782  -7.852  -7.085
  271    HG2  GLU  34          1HG       GLU  34   5.930  -8.926  -5.888
  272    HG3  GLU  34          2HG       GLU  34   5.111  -7.369  -5.769
  273    H    THR  35           H        THR  35  10.084  -7.891  -5.789
  274    HA   THR  35           HA       THR  35  11.302  -5.253  -6.087
  275    HB   THR  35           HB       THR  35  12.506  -7.379  -4.282
  276    HG1  THR  35          1HG       THR  35  11.217  -4.892  -3.737
  277   HG21  THR  35          1HG2      THR  35  14.213  -5.691  -3.781
  278   HG22  THR  35          2HG2      THR  35  13.462  -4.576  -4.926
  279   HG23  THR  35          3HG2      THR  35  14.199  -6.071  -5.505
  Start of MODEL    2
    1    H1   CYS   1          1H        CYS   1 -16.552  -1.200   1.712
    2    H2   CYS   1          2H        CYS   1 -15.206  -0.623   2.554
    3    H3   CYS   1          3H        CYS   1 -15.442  -2.286   2.379
    4    HA   CYS   1           HA       CYS   1 -15.154  -2.121   0.017
    5    HB2  CYS   1          2HB       CYS   1 -14.250   0.091  -0.864
    6    HB3  CYS   1          1HB       CYS   1 -15.960   0.067  -0.452
    7    H    LYS   2           H        LYS   2 -13.531  -3.537   0.418
    8    HA   LYS   2           HA       LYS   2 -10.957  -2.447   1.342
    9    HB2  LYS   2          1HB       LYS   2 -12.012  -5.283   1.341
   10    HB3  LYS   2          2HB       LYS   2 -10.339  -4.872   1.700
   11    HG2  LYS   2          1HG       LYS   2 -11.129  -3.474   3.590
   12    HG3  LYS   2          2HG       LYS   2 -12.778  -4.011   3.257
   13    HD2  LYS   2          1HD       LYS   2 -12.164  -6.310   3.717
   14    HD3  LYS   2          2HD       LYS   2 -10.472  -5.850   3.920
   15    HE2  LYS   2          1HE       LYS   2 -11.484  -6.154   6.089
   16    HE3  LYS   2          2HE       LYS   2 -11.121  -4.447   5.853
   17    HZ1  LYS   2          1HZ       LYS   2 -13.470  -4.119   5.237
   18    HZ2  LYS   2          2HZ       LYS   2 -13.289  -4.690   6.819
   19    HZ3  LYS   2          3HZ       LYS   2 -13.777  -5.743   5.592
   20    H    GLN   3           H        GLN   3  -9.229  -2.454   0.031
   21    HA   GLN   3           HA       GLN   3  -9.344  -3.919  -2.522
   22    HB2  GLN   3          1HB       GLN   3  -8.644  -0.978  -2.251
   23    HB3  GLN   3          2HB       GLN   3  -8.505  -1.924  -3.727
   24    HG2  GLN   3          1HG       GLN   3 -10.913  -2.229  -3.792
   25    HG3  GLN   3          2HG       GLN   3 -11.084  -1.364  -2.264
   26   HE21  GLN   3          1HE2      GLN   3 -10.559   0.645  -5.754
   27   HE22  GLN   3          2HE2      GLN   3 -10.397  -1.074  -5.666
   28    H    ARG   4           H        ARG   4  -7.175  -4.019  -3.574
   29    HA   ARG   4           HA       ARG   4  -4.897  -3.386  -1.862
   30    HB2  ARG   4          1HB       ARG   4  -5.532  -6.193  -2.804
   31    HB3  ARG   4          2HB       ARG   4  -3.934  -5.698  -2.259
   32    HG2  ARG   4          1HG       ARG   4  -4.847  -5.141  -0.061
   33    HG3  ARG   4          2HG       ARG   4  -6.455  -5.620  -0.602
   34    HD2  ARG   4          1HD       ARG   4  -5.421  -7.386   0.716
   35    HD3  ARG   4          2HD       ARG   4  -5.658  -7.907  -0.951
   36    HE   ARG   4           HE       ARG   4  -3.306  -7.698  -1.309
   37   HH11  ARG   4          1HH1      ARG   4  -4.261  -7.209   2.028
   38   HH12  ARG   4          2HH1      ARG   4  -2.719  -7.681   2.669
   39   HH21  ARG   4          1HH2      ARG   4  -1.268  -8.309  -0.457
   40   HH22  ARG   4          2HH2      ARG   4  -1.024  -8.305   1.259
   41    H    ARG   5           H        ARG   5  -3.211  -2.689  -2.996
   42    HA   ARG   5           HA       ARG   5  -3.140  -3.179  -5.905
   43    HB2  ARG   5          1HB       ARG   5  -2.105  -0.823  -4.339
   44    HB3  ARG   5          2HB       ARG   5  -1.849  -1.075  -6.066
   45    HG2  ARG   5          1HG       ARG   5  -4.309  -1.091  -6.381
   46    HG3  ARG   5          2HG       ARG   5  -4.494  -0.700  -4.669
   47    HD2  ARG   5          1HD       ARG   5  -4.657   1.327  -5.847
   48    HD3  ARG   5          2HD       ARG   5  -3.072   1.304  -5.082
   49    HE   ARG   5           HE       ARG   5  -3.436   0.609  -7.927
   50   HH11  ARG   5          1HH1      ARG   5  -1.775   2.390  -5.414
   51   HH12  ARG   5          2HH1      ARG   5  -0.672   3.161  -6.506
   52   HH21  ARG   5          1HH2      ARG   5  -2.009   1.667  -9.372
   53   HH22  ARG   5          2HH2      ARG   5  -0.830   2.776  -8.754
   54    H    ARG   6           H        ARG   6  -0.643  -2.763  -6.638
   55    HA   ARG   6           HA       ARG   6   1.095  -4.134  -4.698
   56    HB2  ARG   6          1HB       ARG   6   2.077  -5.472  -6.526
   57    HB3  ARG   6          2HB       ARG   6   0.378  -5.831  -6.259
   58    HG2  ARG   6          1HG       ARG   6  -0.198  -4.411  -8.201
   59    HG3  ARG   6          2HG       ARG   6   1.526  -4.151  -8.487
   60    HD2  ARG   6          1HD       ARG   6   0.611  -5.927  -9.923
   61    HD3  ARG   6          2HD       ARG   6   1.858  -6.535  -8.831
   62    HE   ARG   6           HE       ARG   6  -0.918  -6.801  -7.964
   63   HH11  ARG   6          1HH1      ARG   6   1.922  -8.327  -9.337
   64   HH12  ARG   6          2HH1      ARG   6   1.366  -9.938  -9.011
   65   HH21  ARG   6          1HH2      ARG   6  -1.668  -8.906  -7.550
   66   HH22  ARG   6          2HH2      ARG   6  -0.690 -10.270  -7.998
   67    H    TYR   7           H        TYR   7   3.339  -3.780  -4.977
   68    HA   TYR   7           HA       TYR   7   4.181  -1.545  -6.645
   69    HB2  TYR   7          2HB       TYR   7   3.307  -0.438  -4.650
   70    HB3  TYR   7          1HB       TYR   7   4.231  -1.510  -3.608
   71    HD1  TYR   7          1HD       TYR   7   6.625  -1.166  -3.278
   72    HD2  TYR   7          2HD       TYR   7   4.383   1.425  -5.805
   73    HE1  TYR   7          1HE       TYR   7   8.458   0.469  -3.222
   74    HE2  TYR   7          2HE       TYR   7   6.213   3.063  -5.755
   75    HH   TYR   7           HH       TYR   7   9.319   2.333  -4.461
   76    H    ARG   8           H        ARG   8   6.372  -1.664  -7.121
   77    HA   ARG   8           HA       ARG   8   7.831  -3.900  -5.866
   78    HB2  ARG   8          1HB       ARG   8   9.074  -4.177  -7.928
   79    HB3  ARG   8          2HB       ARG   8   7.349  -4.268  -8.250
   80    HG2  ARG   8          1HG       ARG   8   7.371  -1.992  -9.129
   81    HG3  ARG   8          2HG       ARG   8   9.089  -1.851  -8.751
   82    HD2  ARG   8          1HD       ARG   8   7.817  -3.736 -10.742
   83    HD3  ARG   8          2HD       ARG   8   8.825  -2.336 -11.100
   84    HE   ARG   8           HE       ARG   8   9.904  -4.622  -9.584
   85   HH11  ARG   8          1HH1      ARG   8  10.072  -2.448 -12.330
   86   HH12  ARG   8          2HH1      ARG   8  11.575  -3.096 -12.906
   87   HH21  ARG   8          1HH2      ARG   8  11.862  -5.477 -10.336
   88   HH22  ARG   8          2HH2      ARG   8  12.594  -4.835 -11.777
   89    H    GLY   9           H        GLY   9   9.737  -3.526  -4.920
   90    HA2  GLY   9          1HA       GLY   9  11.726  -1.776  -5.452
   91    HA3  GLY   9          2HA       GLY   9  10.584  -0.789  -4.544
   92    H    SER  10           H        SER  10  11.612  -0.544  -2.634
   93    HA   SER  10           HA       SER  10  12.690  -2.894  -1.251
   94    HB2  SER  10          1HB       SER  10  12.812   0.033  -0.451
   95    HB3  SER  10          2HB       SER  10  13.737  -1.294   0.255
   96    HG   SER  10           HG       SER  10  13.899  -0.418  -2.448
   97    H    GLU  11           H        GLU  11  12.029  -3.415   0.893
   98    HA   GLU  11           HA       GLU  11   9.333  -3.572   1.377
   99    HB2  GLU  11          1HB       GLU  11  11.606  -3.586   3.377
  100    HB3  GLU  11          2HB       GLU  11   9.952  -4.016   3.785
  101    HG2  GLU  11          1HG       GLU  11  11.183  -6.029   3.454
  102    HG3  GLU  11          2HG       GLU  11  10.068  -5.845   2.104
  103    H    GLU  12           H        GLU  12  11.591  -1.140   2.632
  104    HA   GLU  12           HA       GLU  12   9.882   0.312   4.266
  105    HB2  GLU  12          1HB       GLU  12  12.319   0.687   4.132
  106    HB3  GLU  12          2HB       GLU  12  12.133   1.353   2.517
  107    HG2  GLU  12          1HG       GLU  12  12.392   3.180   4.003
  108    HG3  GLU  12          2HG       GLU  12  10.702   3.153   3.507
  109    H    GLU  13           H        GLU  13  10.587   0.778   0.814
  110    HA   GLU  13           HA       GLU  13   8.876   2.942   0.339
  111    HB2  GLU  13          1HB       GLU  13   9.693   0.738  -1.574
  112    HB3  GLU  13          2HB       GLU  13   9.004   2.289  -2.034
  113    HG2  GLU  13          1HG       GLU  13  10.965   3.434  -1.121
  114    HG3  GLU  13          2HG       GLU  13  11.661   1.877  -0.666
  115    H    CYS  14           H        CYS  14   8.334  -0.549   0.129
  116    HA   CYS  14           HA       CYS  14   5.758  -0.521  -0.961
  117    HB2  CYS  14          2HB       CYS  14   6.995  -2.537   0.936
  118    HB3  CYS  14          1HB       CYS  14   5.556  -2.812  -0.041
  119    H    ARG  15           H        ARG  15   6.809  -0.563   2.434
  120    HA   ARG  15           HA       ARG  15   4.190  -0.679   3.510
  121    HB2  ARG  15          1HB       ARG  15   6.877   0.016   4.686
  122    HB3  ARG  15          2HB       ARG  15   5.404   0.104   5.644
  123    HG2  ARG  15          1HG       ARG  15   6.459  -2.361   4.258
  124    HG3  ARG  15          2HG       ARG  15   6.560  -2.014   5.987
  125    HD2  ARG  15          1HD       ARG  15   4.105  -1.973   6.111
  126    HD3  ARG  15          2HD       ARG  15   4.014  -2.343   4.390
  127    HE   ARG  15           HE       ARG  15   5.487  -4.385   5.377
  128   HH11  ARG  15          1HH1      ARG  15   2.399  -3.007   6.281
  129   HH12  ARG  15          2HH1      ARG  15   1.751  -4.509   6.862
  130   HH21  ARG  15          1HH2      ARG  15   4.641  -6.366   6.145
  131   HH22  ARG  15          2HH2      ARG  15   3.027  -6.426   6.781
  132    H    LYS  16           H        LYS  16   6.408   2.026   2.884
  133    HA   LYS  16           HA       LYS  16   4.750   3.970   4.125
  134    HB2  LYS  16          1HB       LYS  16   6.921   4.294   2.042
  135    HB3  LYS  16          2HB       LYS  16   6.139   5.634   2.874
  136    HG2  LYS  16          1HG       LYS  16   7.859   3.477   4.096
  137    HG3  LYS  16          2HG       LYS  16   8.241   5.192   3.942
  138    HD2  LYS  16          1HD       LYS  16   5.995   4.041   5.618
  139    HD3  LYS  16          2HD       LYS  16   7.553   4.583   6.237
  140    HE2  LYS  16          1HE       LYS  16   7.081   6.855   5.503
  141    HE3  LYS  16          2HE       LYS  16   5.554   6.330   4.795
  142    HZ1  LYS  16          1HZ       LYS  16   6.208   6.106   7.683
  143    HZ2  LYS  16          2HZ       LYS  16   4.710   5.816   6.955
  144    HZ3  LYS  16          3HZ       LYS  16   5.335   7.384   7.005
  145    H    TYR  17           H        TYR  17   5.017   2.800   0.795
  146    HA   TYR  17           HA       TYR  17   3.177   4.614  -0.342
  147    HB2  TYR  17          2HB       TYR  17   4.735   3.063  -1.617
  148    HB3  TYR  17          1HB       TYR  17   3.621   1.751  -1.243
  149    HD1  TYR  17          1HD       TYR  17   1.246   1.872  -2.143
  150    HD2  TYR  17          2HD       TYR  17   4.300   4.567  -3.400
  151    HE1  TYR  17          1HE       TYR  17  -0.107   2.479  -4.108
  152    HE2  TYR  17          2HE       TYR  17   2.957   5.175  -5.366
  153    HH   TYR  17           HH       TYR  17  -0.119   4.796  -5.677
  154    H    ALA  18           H        ALA  18   2.806   1.426   1.148
  155    HA   ALA  18           HA       ALA  18   0.053   1.095   0.762
  156    HB1  ALA  18          1HB       ALA  18   1.560  -0.690   1.538
  157    HB2  ALA  18          2HB       ALA  18   0.147  -0.516   2.579
  158    HB3  ALA  18          3HB       ALA  18   1.708   0.126   3.096
  159    H    GLU  19           H        GLU  19   1.831   2.594   3.429
  160    HA   GLU  19           HA       GLU  19  -0.371   3.170   5.071
  161    HB2  GLU  19          1HB       GLU  19   1.976   3.208   5.824
  162    HB3  GLU  19          2HB       GLU  19   2.270   4.634   4.838
  163    HG2  GLU  19          1HG       GLU  19   0.745   5.933   6.184
  164    HG3  GLU  19          2HG       GLU  19   0.298   4.504   7.116
  165    H    GLU  20           H        GLU  20   1.368   5.236   2.749
  166    HA   GLU  20           HA       GLU  20  -0.216   7.519   3.051
  167    HB2  GLU  20          1HB       GLU  20   1.404   6.523   0.702
  168    HB3  GLU  20          2HB       GLU  20   0.626   8.103   0.732
  169    HG2  GLU  20          1HG       GLU  20   2.701   7.143   2.702
  170    HG3  GLU  20          2HG       GLU  20   3.007   8.206   1.330
  171    H    LEU  21           H        LEU  21  -0.536   4.788   0.818
  172    HA   LEU  21           HA       LEU  21  -2.772   5.783  -0.593
  173    HB2  LEU  21          1HB       LEU  21  -1.306   3.933  -1.373
  174    HB3  LEU  21          2HB       LEU  21  -1.972   2.903  -0.120
  175    HG   LEU  21           HG       LEU  21  -4.210   3.098  -1.174
  176   HD11  LEU  21          1HD1      LEU  21  -3.933   5.270  -2.252
  177   HD12  LEU  21          2HD1      LEU  21  -4.412   4.042  -3.423
  178   HD13  LEU  21          3HD1      LEU  21  -2.735   4.585  -3.351
  179   HD21  LEU  21          1HD2      LEU  21  -2.759   1.206  -1.709
  180   HD22  LEU  21          2HD2      LEU  21  -2.033   2.125  -3.029
  181   HD23  LEU  21          3HD2      LEU  21  -3.736   1.671  -3.100
  182    H    SER  22           H        SER  22  -2.434   3.849   2.321
  183    HA   SER  22           HA       SER  22  -5.132   3.125   2.661
  184    HB2  SER  22          1HB       SER  22  -3.291   2.008   3.850
  185    HB3  SER  22          2HB       SER  22  -2.943   3.492   4.732
  186    HG   SER  22           HG       SER  22  -4.203   2.395   6.098
  187    H    ARG  23           H        ARG  23  -3.246   5.866   3.914
  188    HA   ARG  23           HA       ARG  23  -5.470   6.964   5.374
  189    HB2  ARG  23          1HB       ARG  23  -3.952   8.843   5.852
  190    HB3  ARG  23          2HB       ARG  23  -3.181   7.294   6.165
  191    HG2  ARG  23          1HG       ARG  23  -2.112   7.480   3.896
  192    HG3  ARG  23          2HG       ARG  23  -2.725   9.131   3.823
  193    HD2  ARG  23          1HD       ARG  23  -0.868   8.033   5.937
  194    HD3  ARG  23          2HD       ARG  23  -0.385   9.035   4.570
  195    HE   ARG  23           HE       ARG  23  -2.379  10.133   6.399
  196   HH11  ARG  23          1HH1      ARG  23   0.949  10.079   5.292
  197   HH12  ARG  23          2HH1      ARG  23   1.363  11.567   6.087
  198   HH21  ARG  23          1HH2      ARG  23  -1.840  12.089   7.433
  199   HH22  ARG  23          2HH2      ARG  23  -0.225  12.714   7.304
  200    H    ARG  24           H        ARG  24  -4.194   7.289   2.170
  201    HA   ARG  24           HA       ARG  24  -5.440   9.802   1.572
  202    HB2  ARG  24          1HB       ARG  24  -3.454   9.092   0.356
  203    HB3  ARG  24          2HB       ARG  24  -4.291   7.661  -0.232
  204    HG2  ARG  24          1HG       ARG  24  -5.863   9.134  -1.458
  205    HG3  ARG  24          2HG       ARG  24  -4.915  10.528  -0.935
  206    HD2  ARG  24          1HD       ARG  24  -2.958   9.654  -2.107
  207    HD3  ARG  24          2HD       ARG  24  -3.868   8.220  -2.586
  208    HE   ARG  24           HE       ARG  24  -5.034  10.729  -3.415
  209   HH11  ARG  24          1HH1      ARG  24  -2.845   8.135  -4.292
  210   HH12  ARG  24          2HH1      ARG  24  -2.965   8.441  -5.992
  211   HH21  ARG  24          1HH2      ARG  24  -5.196  11.124  -5.643
  212   HH22  ARG  24          2HH2      ARG  24  -4.296  10.149  -6.765
  213    H    THR  25           H        THR  25  -6.213   6.409   0.847
  214    HA   THR  25           HA       THR  25  -8.502   7.104  -0.747
  215    HB   THR  25           HB       THR  25  -7.725   4.380   0.326
  216    HG1  THR  25          1HG       THR  25  -6.003   4.957  -0.871
  217   HG21  THR  25          1HG2      THR  25 -10.006   4.478  -0.568
  218   HG22  THR  25          2HG2      THR  25  -8.961   3.540  -1.636
  219   HG23  THR  25          3HG2      THR  25  -9.403   5.195  -2.061
  220    H    GLY  26           H        GLY  26 -10.613   7.162  -0.163
  221    HA2  GLY  26          1HA       GLY  26 -11.339   7.032   2.629
  222    HA3  GLY  26          2HA       GLY  26 -12.412   7.385   1.281
  223    H    CYS  27           H        CYS  27 -10.470   4.661   2.468
  224    HA   CYS  27           HA       CYS  27 -12.654   2.869   2.757
  225    HB2  CYS  27          2HB       CYS  27 -11.046   2.762   0.210
  226    HB3  CYS  27          1HB       CYS  27 -11.686   1.277   0.902
  227    H    GLU  28           H        GLU  28 -11.369   0.441   2.472
  228    HA   GLU  28           HA       GLU  28  -8.929   0.717   4.111
  229    HB2  GLU  28          1HB       GLU  28 -10.741  -0.475   5.275
  230    HB3  GLU  28          2HB       GLU  28 -10.893  -1.591   3.927
  231    HG2  GLU  28          1HG       GLU  28  -9.696  -2.608   5.784
  232    HG3  GLU  28          2HG       GLU  28  -8.667  -2.465   4.360
  233    H    VAL  29           H        VAL  29  -7.316   0.713   2.657
  234    HA   VAL  29           HA       VAL  29  -7.328  -1.354   0.555
  235    HB   VAL  29           HB       VAL  29  -7.816   0.816  -0.461
  236   HG11  VAL  29          1HG1      VAL  29  -6.210   2.658  -0.396
  237   HG12  VAL  29          2HG1      VAL  29  -5.190   1.743   0.715
  238   HG13  VAL  29          3HG1      VAL  29  -6.798   2.266   1.219
  239   HG21  VAL  29          1HG2      VAL  29  -6.503  -0.781  -1.759
  240   HG22  VAL  29          2HG2      VAL  29  -5.008  -0.139  -1.076
  241   HG23  VAL  29          3HG2      VAL  29  -6.002   0.870  -2.127
  242    H    GLU  30           H        GLU  30  -5.484  -2.452   0.252
  243    HA   GLU  30           HA       GLU  30  -3.136  -1.694   1.857
  244    HB2  GLU  30          1HB       GLU  30  -4.193  -4.439   1.157
  245    HB3  GLU  30          2HB       GLU  30  -2.574  -4.169   1.795
  246    HG2  GLU  30          1HG       GLU  30  -3.407  -3.358   3.839
  247    HG3  GLU  30          2HG       GLU  30  -5.027  -3.220   3.189
  248    H    VAL  31           H        VAL  31  -1.250  -3.080   0.989
  249    HA   VAL  31           HA       VAL  31  -1.082  -2.928  -1.940
  250    HB   VAL  31           HB       VAL  31   0.872  -1.537  -0.080
  251   HG11  VAL  31          1HG1      VAL  31   1.014  -1.888  -3.079
  252   HG12  VAL  31          2HG1      VAL  31   2.097  -2.608  -1.887
  253   HG13  VAL  31          3HG1      VAL  31   2.080  -0.860  -2.119
  254   HG21  VAL  31          1HG2      VAL  31  -0.945  -0.421  -2.225
  255   HG22  VAL  31          2HG2      VAL  31   0.224   0.507  -1.284
  256   HG23  VAL  31          3HG2      VAL  31  -1.158  -0.241  -0.483
  257    H    GLU  32           H        GLU  32   0.634  -4.165  -2.823
  258    HA   GLU  32           HA       GLU  32   1.685  -6.250  -1.018
  259    HB2  GLU  32          1HB       GLU  32   0.039  -6.762  -3.026
  260    HB3  GLU  32          2HB       GLU  32   1.478  -6.552  -4.013
  261    HG2  GLU  32          1HG       GLU  32   1.284  -8.863  -3.616
  262    HG3  GLU  32          2HG       GLU  32   2.585  -8.300  -2.565
  263    H    CYS  33           H        CYS  33   3.899  -6.907  -1.411
  264    HA   CYS  33           HA       CYS  33   5.469  -4.721  -2.626
  265    HB2  CYS  33          2HB       CYS  33   5.610  -4.897  -0.141
  266    HB3  CYS  33          1HB       CYS  33   6.270  -6.518  -0.322
  267    H    GLU  34           H        GLU  34   6.738  -5.213  -4.240
  268    HA   GLU  34           HA       GLU  34   7.698  -7.975  -4.612
  269    HB2  GLU  34          1HB       GLU  34   6.756  -6.105  -6.811
  270    HB3  GLU  34          2HB       GLU  34   7.388  -7.730  -7.038
  271    HG2  GLU  34          1HG       GLU  34   5.459  -8.657  -5.866
  272    HG3  GLU  34          2HG       GLU  34   4.839  -7.031  -5.586
  273    H    THR  35           H        THR  35   9.492  -7.790  -6.494
  274    HA   THR  35           HA       THR  35  10.963  -5.310  -6.394
  275    HB   THR  35           HB       THR  35  11.838  -6.243  -4.380
  276    HG1  THR  35          1HG       THR  35  13.792  -5.765  -4.956
  277   HG21  THR  35          1HG2      THR  35  11.170  -8.568  -4.645
  278   HG22  THR  35          2HG2      THR  35  12.885  -8.464  -4.246
  279   HG23  THR  35          3HG2      THR  35  12.385  -8.793  -5.904
  Start of MODEL    3
    1    H1   CYS   1          1H        CYS   1 -14.807  -2.147   2.431
    2    H2   CYS   1          2H        CYS   1 -15.829  -0.812   2.274
    3    H3   CYS   1          3H        CYS   1 -14.413  -0.688   3.187
    4    HA   CYS   1           HA       CYS   1 -14.562  -1.141   0.268
    5    HB2  CYS   1          2HB       CYS   1 -15.171   1.149   0.894
    6    HB3  CYS   1          1HB       CYS   1 -13.724   1.285   1.884
    7    H    LYS   2           H        LYS   2 -12.902  -2.368  -0.358
    8    HA   LYS   2           HA       LYS   2 -10.298  -2.085   1.015
    9    HB2  LYS   2          1HB       LYS   2 -11.154  -4.267   1.561
   10    HB3  LYS   2          2HB       LYS   2 -11.633  -4.561  -0.105
   11    HG2  LYS   2          1HG       LYS   2  -9.723  -5.819   0.029
   12    HG3  LYS   2          2HG       LYS   2  -9.090  -4.306  -0.604
   13    HD2  LYS   2          1HD       LYS   2  -7.595  -5.020   1.097
   14    HD3  LYS   2          2HD       LYS   2  -8.516  -3.671   1.769
   15    HE2  LYS   2          1HE       LYS   2  -9.876  -5.138   3.067
   16    HE3  LYS   2          2HE       LYS   2  -9.269  -6.558   2.213
   17    HZ1  LYS   2          1HZ       LYS   2  -7.578  -4.802   3.900
   18    HZ2  LYS   2          2HZ       LYS   2  -7.144  -6.289   3.219
   19    HZ3  LYS   2          3HZ       LYS   2  -8.301  -6.226   4.451
   20    H    GLN   3           H        GLN   3  -8.558  -1.695  -0.269
   21    HA   GLN   3           HA       GLN   3  -8.888  -1.995  -3.196
   22    HB2  GLN   3          1HB       GLN   3  -7.178   0.076  -1.794
   23    HB3  GLN   3          2HB       GLN   3  -7.464  -0.061  -3.522
   24    HG2  GLN   3          1HG       GLN   3  -9.793   0.547  -3.214
   25    HG3  GLN   3          2HG       GLN   3  -9.567   0.607  -1.464
   26   HE21  GLN   3          1HE2      GLN   3  -8.001   3.736  -1.438
   27   HE22  GLN   3          2HE2      GLN   3  -8.293   2.268  -0.579
   28    H    ARG   4           H        ARG   4  -7.494  -3.429  -4.024
   29    HA   ARG   4           HA       ARG   4  -5.054  -4.043  -2.482
   30    HB2  ARG   4          1HB       ARG   4  -6.672  -5.848  -4.296
   31    HB3  ARG   4          2HB       ARG   4  -5.108  -6.277  -3.612
   32    HG2  ARG   4          1HG       ARG   4  -6.142  -5.909  -1.335
   33    HG3  ARG   4          2HG       ARG   4  -7.701  -5.816  -2.157
   34    HD2  ARG   4          1HD       ARG   4  -7.314  -8.067  -1.322
   35    HD3  ARG   4          2HD       ARG   4  -7.331  -8.063  -3.087
   36    HE   ARG   4           HE       ARG   4  -4.693  -7.778  -2.023
   37   HH11  ARG   4          1HH1      ARG   4  -7.180 -10.144  -2.705
   38   HH12  ARG   4          2HH1      ARG   4  -6.051 -11.446  -2.929
   39   HH21  ARG   4          1HH2      ARG   4  -3.206  -9.493  -2.307
   40   HH22  ARG   4          2HH2      ARG   4  -3.798 -11.077  -2.692
   41    H    ARG   5           H        ARG   5  -3.175  -3.641  -3.406
   42    HA   ARG   5           HA       ARG   5  -3.011  -3.511  -6.344
   43    HB2  ARG   5          1HB       ARG   5  -1.987  -1.477  -4.364
   44    HB3  ARG   5          2HB       ARG   5  -1.260  -1.647  -5.954
   45    HG2  ARG   5          1HG       ARG   5  -3.537  -1.221  -6.935
   46    HG3  ARG   5          2HG       ARG   5  -4.085  -0.827  -5.304
   47    HD2  ARG   5          1HD       ARG   5  -2.554   1.002  -5.149
   48    HD3  ARG   5          2HD       ARG   5  -1.737   0.519  -6.636
   49    HE   ARG   5           HE       ARG   5  -4.543   1.169  -6.935
   50   HH11  ARG   5          1HH1      ARG   5  -1.253   2.406  -6.987
   51   HH12  ARG   5          2HH1      ARG   5  -1.657   3.753  -8.007
   52   HH21  ARG   5          1HH2      ARG   5  -5.047   2.947  -8.262
   53   HH22  ARG   5          2HH2      ARG   5  -3.795   4.061  -8.724
   54    H    ARG   6           H        ARG   6  -0.996  -4.040  -7.221
   55    HA   ARG   6           HA       ARG   6   0.916  -5.282  -5.352
   56    HB2  ARG   6          1HB       ARG   6   1.683  -6.595  -7.373
   57    HB3  ARG   6          2HB       ARG   6   0.078  -6.995  -6.778
   58    HG2  ARG   6          1HG       ARG   6  -0.889  -5.557  -8.560
   59    HG3  ARG   6          2HG       ARG   6   0.744  -5.313  -9.192
   60    HD2  ARG   6          1HD       ARG   6   0.973  -7.707  -9.581
   61    HD3  ARG   6          2HD       ARG   6  -0.626  -7.989  -8.887
   62    HE   ARG   6           HE       ARG   6  -0.463  -6.204 -11.187
   63   HH11  ARG   6          1HH1      ARG   6  -1.226  -9.393  -9.959
   64   HH12  ARG   6          2HH1      ARG   6  -2.183  -9.833 -11.336
   65   HH21  ARG   6          1HH2      ARG   6  -1.725  -6.762 -12.981
   66   HH22  ARG   6          2HH2      ARG   6  -2.478  -8.326 -13.062
   67    H    TYR   7           H        TYR   7   2.904  -4.458  -5.283
   68    HA   TYR   7           HA       TYR   7   3.574  -2.255  -7.124
   69    HB2  TYR   7          2HB       TYR   7   2.451  -1.491  -4.986
   70    HB3  TYR   7          1HB       TYR   7   3.804  -2.171  -4.094
   71    HD1  TYR   7          1HD       TYR   7   5.900  -0.991  -3.947
   72    HD2  TYR   7          2HD       TYR   7   2.771   0.489  -6.427
   73    HE1  TYR   7          1HE       TYR   7   7.085   1.153  -4.158
   74    HE2  TYR   7          2HE       TYR   7   3.952   2.633  -6.649
   75    HH   TYR   7           HH       TYR   7   7.192   3.060  -5.688
   76    H    ARG   8           H        ARG   8   5.872  -1.815  -7.264
   77    HA   ARG   8           HA       ARG   8   7.556  -3.922  -6.053
   78    HB2  ARG   8          1HB       ARG   8   9.167  -3.587  -7.858
   79    HB3  ARG   8          2HB       ARG   8   7.592  -4.009  -8.513
   80    HG2  ARG   8          1HG       ARG   8   7.328  -2.011  -9.551
   81    HG3  ARG   8          2HG       ARG   8   8.175  -1.114  -8.289
   82    HD2  ARG   8          1HD       ARG   8   9.498  -2.891 -10.348
   83    HD3  ARG   8          2HD       ARG   8   9.403  -1.130 -10.433
   84    HE   ARG   8           HE       ARG   8  10.614  -1.285  -8.152
   85   HH11  ARG   8          1HH1      ARG   8  11.172  -3.397 -10.894
   86   HH12  ARG   8          2HH1      ARG   8  12.805  -3.762 -10.439
   87   HH21  ARG   8          1HH2      ARG   8  12.764  -1.763  -7.564
   88   HH22  ARG   8          2HH2      ARG   8  13.705  -2.850  -8.540
   89    H    GLY   9           H        GLY   9   9.087  -3.307  -4.642
   90    HA2  GLY   9          1HA       GLY   9  10.628  -1.026  -4.647
   91    HA3  GLY   9          2HA       GLY   9   9.158  -0.558  -3.804
   92    H    SER  10           H        SER  10  11.517  -0.397  -2.527
   93    HA   SER  10           HA       SER  10  12.305  -2.635  -1.027
   94    HB2  SER  10          1HB       SER  10  12.413   0.271  -0.158
   95    HB3  SER  10          2HB       SER  10  13.466  -1.041   0.374
   96    HG   SER  10           HG       SER  10  14.150  -1.201  -1.863
   97    H    GLU  11           H        GLU  11  11.926  -3.029   1.264
   98    HA   GLU  11           HA       GLU  11   9.306  -3.359   2.016
   99    HB2  GLU  11          1HB       GLU  11  11.640  -2.869   3.892
  100    HB3  GLU  11          2HB       GLU  11  10.132  -3.680   4.303
  101    HG2  GLU  11          1HG       GLU  11  10.652  -5.499   2.796
  102    HG3  GLU  11          2HG       GLU  11  12.109  -4.670   2.252
  103    H    GLU  12           H        GLU  12  11.455  -0.661   2.877
  104    HA   GLU  12           HA       GLU  12   9.754   0.836   4.437
  105    HB2  GLU  12          1HB       GLU  12  11.975   1.620   2.544
  106    HB3  GLU  12          2HB       GLU  12  11.242   2.695   3.701
  107    HG2  GLU  12          1HG       GLU  12  11.995   1.321   5.544
  108    HG3  GLU  12          2HG       GLU  12  12.671   0.156   4.403
  109    H    GLU  13           H        GLU  13  10.343   1.005   0.927
  110    HA   GLU  13           HA       GLU  13   8.604   3.097   0.317
  111    HB2  GLU  13          1HB       GLU  13   9.249   0.698  -1.422
  112    HB3  GLU  13          2HB       GLU  13   8.633   2.247  -1.982
  113    HG2  GLU  13          1HG       GLU  13  11.317   1.748  -0.705
  114    HG3  GLU  13          2HG       GLU  13  11.013   2.050  -2.413
  115    H    CYS  14           H        CYS  14   8.045  -0.358   0.616
  116    HA   CYS  14           HA       CYS  14   5.366  -0.423  -0.256
  117    HB2  CYS  14          2HB       CYS  14   6.889  -2.402  -0.007
  118    HB3  CYS  14          1HB       CYS  14   6.711  -2.273   1.735
  119    H    ARG  15           H        ARG  15   6.823   0.006   2.963
  120    HA   ARG  15           HA       ARG  15   4.452   0.121   4.477
  121    HB2  ARG  15          1HB       ARG  15   7.030   1.645   4.968
  122    HB3  ARG  15          2HB       ARG  15   5.767   1.353   6.154
  123    HG2  ARG  15          1HG       ARG  15   7.512  -0.739   4.862
  124    HG3  ARG  15          2HG       ARG  15   7.660  -0.119   6.507
  125    HD2  ARG  15          1HD       ARG  15   5.328  -0.960   6.928
  126    HD3  ARG  15          2HD       ARG  15   5.404  -1.752   5.350
  127    HE   ARG  15           HE       ARG  15   7.465  -2.322   7.360
  128   HH11  ARG  15          1HH1      ARG  15   4.787  -3.448   5.390
  129   HH12  ARG  15          2HH1      ARG  15   5.061  -5.118   5.774
  130   HH21  ARG  15          1HH2      ARG  15   7.837  -4.496   7.828
  131   HH22  ARG  15          2HH2      ARG  15   6.815  -5.721   7.146
  132    H    LYS  16           H        LYS  16   6.398   2.707   3.050
  133    HA   LYS  16           HA       LYS  16   4.868   4.895   3.857
  134    HB2  LYS  16          1HB       LYS  16   6.518   4.633   1.327
  135    HB3  LYS  16          2HB       LYS  16   6.047   6.135   2.110
  136    HG2  LYS  16          1HG       LYS  16   7.457   5.684   3.992
  137    HG3  LYS  16          2HG       LYS  16   7.796   4.052   3.415
  138    HD2  LYS  16          1HD       LYS  16   9.685   5.467   2.918
  139    HD3  LYS  16          2HD       LYS  16   8.882   5.030   1.409
  140    HE2  LYS  16          1HE       LYS  16   9.438   7.348   1.301
  141    HE3  LYS  16          2HE       LYS  16   7.691   7.229   1.499
  142    HZ1  LYS  16          1HZ       LYS  16   7.997   7.660   3.877
  143    HZ2  LYS  16          2HZ       LYS  16   8.584   8.930   2.930
  144    HZ3  LYS  16          3HZ       LYS  16   9.663   7.835   3.636
  145    H    TYR  17           H        TYR  17   4.777   3.029   0.837
  146    HA   TYR  17           HA       TYR  17   2.785   4.557  -0.435
  147    HB2  TYR  17          2HB       TYR  17   4.257   2.976  -1.636
  148    HB3  TYR  17          1HB       TYR  17   3.461   1.627  -0.835
  149    HD1  TYR  17          1HD       TYR  17   1.312   0.830  -1.581
  150    HD2  TYR  17          2HD       TYR  17   3.037   4.314  -3.327
  151    HE1  TYR  17          1HE       TYR  17  -0.378   0.768  -3.367
  152    HE2  TYR  17          2HE       TYR  17   1.352   4.258  -5.113
  153    HH   TYR  17           HH       TYR  17  -1.437   2.544  -4.944
  154    H    ALA  18           H        ALA  18   2.598   1.612   1.542
  155    HA   ALA  18           HA       ALA  18  -0.151   1.141   1.291
  156    HB1  ALA  18          1HB       ALA  18   0.055  -0.208   3.309
  157    HB2  ALA  18          2HB       ALA  18   1.608   0.542   3.676
  158    HB3  ALA  18          3HB       ALA  18   1.439  -0.478   2.247
  159    H    GLU  19           H        GLU  19   1.609   2.954   3.822
  160    HA   GLU  19           HA       GLU  19  -0.675   3.713   5.282
  161    HB2  GLU  19          1HB       GLU  19   1.589   3.857   6.228
  162    HB3  GLU  19          2HB       GLU  19   1.991   5.139   5.091
  163    HG2  GLU  19          1HG       GLU  19   0.252   6.561   6.093
  164    HG3  GLU  19          2HG       GLU  19  -0.114   5.283   7.247
  165    H    GLU  20           H        GLU  20   1.216   5.501   2.855
  166    HA   GLU  20           HA       GLU  20  -0.160   7.876   2.816
  167    HB2  GLU  20          1HB       GLU  20   1.753   6.548   1.162
  168    HB3  GLU  20          2HB       GLU  20   0.509   7.200   0.106
  169    HG2  GLU  20          1HG       GLU  20   2.023   8.784   2.172
  170    HG3  GLU  20          2HG       GLU  20   2.406   8.724   0.454
  171    H    LEU  21           H        LEU  21  -0.865   4.956   0.909
  172    HA   LEU  21           HA       LEU  21  -3.089   6.139  -0.428
  173    HB2  LEU  21          1HB       LEU  21  -1.717   4.251  -1.317
  174    HB3  LEU  21          2HB       LEU  21  -2.432   3.206  -0.104
  175    HG   LEU  21           HG       LEU  21  -4.644   3.492  -1.119
  176   HD11  LEU  21          1HD1      LEU  21  -4.927   4.696  -3.224
  177   HD12  LEU  21          2HD1      LEU  21  -3.240   5.210  -3.170
  178   HD13  LEU  21          3HD1      LEU  21  -4.375   5.781  -1.948
  179   HD21  LEU  21          1HD2      LEU  21  -2.542   2.759  -3.165
  180   HD22  LEU  21          2HD2      LEU  21  -4.241   2.286  -3.198
  181   HD23  LEU  21          3HD2      LEU  21  -3.184   1.687  -1.920
  182    H    SER  22           H        SER  22  -2.717   4.131   2.454
  183    HA   SER  22           HA       SER  22  -5.464   3.527   2.804
  184    HB2  SER  22          1HB       SER  22  -3.598   2.263   3.892
  185    HB3  SER  22          2HB       SER  22  -3.309   3.652   4.938
  186    HG   SER  22           HG       SER  22  -5.852   3.158   5.182
  187    H    ARG  23           H        ARG  23  -3.422   6.189   3.935
  188    HA   ARG  23           HA       ARG  23  -5.552   7.351   5.510
  189    HB2  ARG  23          1HB       ARG  23  -3.989   9.208   5.911
  190    HB3  ARG  23          2HB       ARG  23  -3.248   7.653   6.257
  191    HG2  ARG  23          1HG       ARG  23  -1.610   8.008   4.786
  192    HG3  ARG  23          2HG       ARG  23  -2.753   8.432   3.516
  193    HD2  ARG  23          1HD       ARG  23  -1.724  10.298   5.657
  194    HD3  ARG  23          2HD       ARG  23  -1.187  10.257   3.976
  195    HE   ARG  23           HE       ARG  23  -3.936  10.964   4.814
  196   HH11  ARG  23          1HH1      ARG  23  -1.207  11.328   2.646
  197   HH12  ARG  23          2HH1      ARG  23  -1.922  12.643   1.765
  198   HH21  ARG  23          1HH2      ARG  23  -4.896  12.661   3.636
  199   HH22  ARG  23          2HH2      ARG  23  -4.033  13.389   2.315
  200    H    ARG  24           H        ARG  24  -4.160   7.747   2.328
  201    HA   ARG  24           HA       ARG  24  -5.242  10.269   1.682
  202    HB2  ARG  24          1HB       ARG  24  -3.413   9.183   0.424
  203    HB3  ARG  24          2HB       ARG  24  -4.538   7.963  -0.153
  204    HG2  ARG  24          1HG       ARG  24  -5.839   9.798  -1.255
  205    HG3  ARG  24          2HG       ARG  24  -4.542  10.905  -0.802
  206    HD2  ARG  24          1HD       ARG  24  -4.286   8.465  -2.563
  207    HD3  ARG  24          2HD       ARG  24  -4.265  10.145  -3.095
  208    HE   ARG  24           HE       ARG  24  -2.226   9.735  -1.184
  209   HH11  ARG  24          1HH1      ARG  24  -3.037   8.961  -4.504
  210   HH12  ARG  24          2HH1      ARG  24  -1.381   8.823  -5.011
  211   HH21  ARG  24          1HH2      ARG  24  -0.044   9.551  -1.848
  212   HH22  ARG  24          2HH2      ARG  24   0.315   9.173  -3.506
  213    H    THR  25           H        THR  25  -6.388   6.977   1.026
  214    HA   THR  25           HA       THR  25  -8.997   8.069   0.197
  215    HB   THR  25           HB       THR  25  -9.398   5.791  -0.758
  216    HG1  THR  25          1HG       THR  25  -7.152   5.241   0.649
  217   HG21  THR  25          1HG2      THR  25  -6.871   7.137  -1.747
  218   HG22  THR  25          2HG2      THR  25  -8.516   7.597  -2.182
  219   HG23  THR  25          3HG2      THR  25  -7.883   6.026  -2.672
  220    H    GLY  26           H        GLY  26 -10.765   7.726   1.423
  221    HA2  GLY  26          1HA       GLY  26 -10.535   6.578   4.030
  222    HA3  GLY  26          2HA       GLY  26 -12.010   7.163   3.273
  223    H    CYS  27           H        CYS  27  -9.736   4.457   3.211
  224    HA   CYS  27           HA       CYS  27 -11.893   2.530   3.170
  225    HB2  CYS  27          2HB       CYS  27  -9.984   2.822   0.832
  226    HB3  CYS  27          1HB       CYS  27 -10.920   1.367   1.128
  227    H    GLU  28           H        GLU  28 -10.482   0.288   2.516
  228    HA   GLU  28           HA       GLU  28  -8.211   0.251   4.381
  229    HB2  GLU  28          1HB       GLU  28 -10.115  -1.178   5.083
  230    HB3  GLU  28          2HB       GLU  28 -10.064  -2.005   3.531
  231    HG2  GLU  28          1HG       GLU  28  -9.015  -3.326   5.288
  232    HG3  GLU  28          2HG       GLU  28  -7.856  -2.878   4.037
  233    H    VAL  29           H        VAL  29  -6.278  -0.229   3.489
  234    HA   VAL  29           HA       VAL  29  -6.305  -0.970   0.631
  235    HB   VAL  29           HB       VAL  29  -4.376   0.814   2.113
  236   HG11  VAL  29          1HG1      VAL  29  -4.304  -0.108  -0.761
  237   HG12  VAL  29          2HG1      VAL  29  -3.135  -0.512   0.496
  238   HG13  VAL  29          3HG1      VAL  29  -3.275   1.150  -0.074
  239   HG21  VAL  29          1HG2      VAL  29  -6.492   1.888   1.567
  240   HG22  VAL  29          2HG2      VAL  29  -6.320   1.396  -0.117
  241   HG23  VAL  29          3HG2      VAL  29  -5.186   2.550   0.584
  242    H    GLU  30           H        GLU  30  -4.890  -2.447  -0.106
  243    HA   GLU  30           HA       GLU  30  -3.216  -3.881   1.828
  244    HB2  GLU  30          1HB       GLU  30  -5.540  -4.901   1.492
  245    HB3  GLU  30          2HB       GLU  30  -5.041  -5.257  -0.154
  246    HG2  GLU  30          1HG       GLU  30  -3.369  -6.766   0.584
  247    HG3  GLU  30          2HG       GLU  30  -3.540  -6.239   2.260
  248    H    VAL  31           H        VAL  31  -1.232  -3.920   1.038
  249    HA   VAL  31           HA       VAL  31  -0.849  -3.665  -1.872
  250    HB   VAL  31           HB       VAL  31   0.978  -2.694   0.344
  251   HG11  VAL  31          1HG1      VAL  31   2.241  -1.586  -1.441
  252   HG12  VAL  31          2HG1      VAL  31   1.165  -2.295  -2.647
  253   HG13  VAL  31          3HG1      VAL  31   2.207  -3.334  -1.674
  254   HG21  VAL  31          1HG2      VAL  31  -0.809  -1.104  -1.507
  255   HG22  VAL  31          2HG2      VAL  31   0.320  -0.433  -0.330
  256   HG23  VAL  31          3HG2      VAL  31  -1.077  -1.364   0.217
  257    H    GLU  32           H        GLU  32   0.322  -5.139  -2.862
  258    HA   GLU  32           HA       GLU  32   1.804  -7.135  -1.270
  259    HB2  GLU  32          1HB       GLU  32  -0.260  -7.834  -2.655
  260    HB3  GLU  32          2HB       GLU  32   0.723  -7.510  -4.076
  261    HG2  GLU  32          1HG       GLU  32   2.309  -9.210  -3.408
  262    HG3  GLU  32          2HG       GLU  32   1.420  -9.486  -1.909
  263    H    CYS  33           H        CYS  33   3.993  -6.947  -1.518
  264    HA   CYS  33           HA       CYS  33   4.867  -5.130  -3.666
  265    HB2  CYS  33          2HB       CYS  33   5.870  -5.379  -0.824
  266    HB3  CYS  33          1HB       CYS  33   6.601  -4.346  -2.052
  267    H    GLU  34           H        GLU  34   6.559  -5.604  -4.873
  268    HA   GLU  34           HA       GLU  34   8.132  -8.041  -4.353
  269    HB2  GLU  34          1HB       GLU  34   7.025  -7.210  -7.057
  270    HB3  GLU  34          2HB       GLU  34   7.944  -8.666  -6.702
  271    HG2  GLU  34          1HG       GLU  34   6.128  -9.564  -5.409
  272    HG3  GLU  34          2HG       GLU  34   5.224  -8.056  -5.561
  273    H    THR  35           H        THR  35   9.989  -8.048  -6.125
  274    HA   THR  35           HA       THR  35  10.954  -5.301  -6.550
  275    HB   THR  35           HB       THR  35  12.489  -6.343  -5.042
  276    HG1  THR  35          1HG       THR  35  13.726  -6.639  -7.583
  277   HG21  THR  35          1HG2      THR  35  11.884  -8.695  -5.397
  278   HG22  THR  35          2HG2      THR  35  13.632  -8.465  -5.494
  279   HG23  THR  35          3HG2      THR  35  12.683  -8.669  -6.968
  Start of MODEL    4
    1    H1   CYS   1          1H        CYS   1 -15.002  -0.980   1.305
    2    H2   CYS   1          2H        CYS   1 -15.705   0.533   1.033
    3    H3   CYS   1          3H        CYS   1 -14.525   0.347   2.231
    4    HA   CYS   1           HA       CYS   1 -14.083  -0.029  -0.665
    5    HB2  CYS   1          2HB       CYS   1 -14.517   2.308  -0.056
    6    HB3  CYS   1          1HB       CYS   1 -13.234   2.230   1.136
    7    H    LYS   2           H        LYS   2 -12.948  -1.861  -0.440
    8    HA   LYS   2           HA       LYS   2 -10.279  -1.613   0.784
    9    HB2  LYS   2          1HB       LYS   2 -11.612  -3.182   2.133
   10    HB3  LYS   2          2HB       LYS   2 -11.989  -4.120   0.694
   11    HG2  LYS   2          1HG       LYS   2  -9.580  -4.633   0.432
   12    HG3  LYS   2          2HG       LYS   2  -9.253  -3.748   1.923
   13    HD2  LYS   2          1HD       LYS   2 -10.661  -5.324   3.172
   14    HD3  LYS   2          2HD       LYS   2 -11.019  -6.192   1.679
   15    HE2  LYS   2          1HE       LYS   2  -9.300  -7.365   2.927
   16    HE3  LYS   2          2HE       LYS   2  -8.628  -6.723   1.430
   17    HZ1  LYS   2          1HZ       LYS   2  -8.331  -5.485   4.120
   18    HZ2  LYS   2          2HZ       LYS   2  -7.662  -4.903   2.680
   19    HZ3  LYS   2          3HZ       LYS   2  -7.141  -6.383   3.311
   20    H    GLN   3           H        GLN   3  -8.648  -1.973  -0.594
   21    HA   GLN   3           HA       GLN   3  -9.129  -3.526  -3.051
   22    HB2  GLN   3          1HB       GLN   3  -9.377  -1.083  -3.562
   23    HB3  GLN   3          2HB       GLN   3  -7.732  -0.838  -3.000
   24    HG2  GLN   3          1HG       GLN   3  -7.564  -0.912  -5.330
   25    HG3  GLN   3          2HG       GLN   3  -7.030  -2.506  -4.799
   26   HE21  GLN   3          1HE2      GLN   3  -9.644  -4.234  -6.378
   27   HE22  GLN   3          2HE2      GLN   3  -8.351  -4.308  -5.238
   28    H    ARG   4           H        ARG   4  -7.288  -4.576  -3.821
   29    HA   ARG   4           HA       ARG   4  -4.930  -4.413  -2.066
   30    HB2  ARG   4          1HB       ARG   4  -4.480  -6.718  -2.456
   31    HB3  ARG   4          2HB       ARG   4  -6.182  -6.595  -2.041
   32    HG2  ARG   4          1HG       ARG   4  -6.694  -6.693  -4.496
   33    HG3  ARG   4          2HG       ARG   4  -4.987  -7.040  -4.771
   34    HD2  ARG   4          1HD       ARG   4  -6.993  -8.698  -3.251
   35    HD3  ARG   4          2HD       ARG   4  -6.130  -9.130  -4.727
   36    HE   ARG   4           HE       ARG   4  -4.361  -8.603  -2.539
   37   HH11  ARG   4          1HH1      ARG   4  -6.382 -11.066  -3.996
   38   HH12  ARG   4          2HH1      ARG   4  -5.563 -12.373  -3.205
   39   HH21  ARG   4          1HH2      ARG   4  -3.291 -10.315  -1.510
   40   HH22  ARG   4          2HH2      ARG   4  -3.802 -11.951  -1.796
   41    H    ARG   5           H        ARG   5  -2.912  -4.281  -2.964
   42    HA   ARG   5           HA       ARG   5  -2.735  -3.861  -5.880
   43    HB2  ARG   5          1HB       ARG   5  -1.421  -2.091  -3.797
   44    HB3  ARG   5          2HB       ARG   5  -1.393  -1.866  -5.537
   45    HG2  ARG   5          1HG       ARG   5  -3.992  -1.821  -4.048
   46    HG3  ARG   5          2HG       ARG   5  -2.950  -0.401  -4.068
   47    HD2  ARG   5          1HD       ARG   5  -4.570  -0.178  -5.814
   48    HD3  ARG   5          2HD       ARG   5  -2.998  -0.468  -6.553
   49    HE   ARG   5           HE       ARG   5  -4.209  -2.944  -6.328
   50   HH11  ARG   5          1HH1      ARG   5  -4.983   0.101  -7.864
   51   HH12  ARG   5          2HH1      ARG   5  -5.801  -0.641  -9.204
   52   HH21  ARG   5          1HH2      ARG   5  -5.260  -3.922  -8.108
   53   HH22  ARG   5          2HH2      ARG   5  -5.932  -2.922  -9.357
   54    H    ARG   6           H        ARG   6  -0.463  -3.975  -6.644
   55    HA   ARG   6           HA       ARG   6   1.399  -5.176  -4.715
   56    HB2  ARG   6          1HB       ARG   6   0.548  -6.984  -6.173
   57    HB3  ARG   6          2HB       ARG   6   1.080  -6.086  -7.590
   58    HG2  ARG   6          1HG       ARG   6   3.381  -6.328  -6.977
   59    HG3  ARG   6          2HG       ARG   6   2.946  -6.995  -5.403
   60    HD2  ARG   6          1HD       ARG   6   3.665  -8.772  -6.880
   61    HD3  ARG   6          2HD       ARG   6   1.946  -8.945  -6.527
   62    HE   ARG   6           HE       ARG   6   2.151  -7.499  -8.888
   63   HH11  ARG   6          1HH1      ARG   6   3.066 -10.677  -7.743
   64   HH12  ARG   6          2HH1      ARG   6   2.844 -11.434  -9.290
   65   HH21  ARG   6          1HH2      ARG   6   1.893  -8.491 -10.929
   66   HH22  ARG   6          2HH2      ARG   6   2.185 -10.190 -11.100
   67    H    TYR   7           H        TYR   7   3.134  -3.984  -4.533
   68    HA   TYR   7           HA       TYR   7   3.858  -2.135  -6.716
   69    HB2  TYR   7          2HB       TYR   7   2.850  -1.171  -4.546
   70    HB3  TYR   7          1HB       TYR   7   4.350  -1.657  -3.766
   71    HD1  TYR   7          1HD       TYR   7   6.313  -0.307  -3.971
   72    HD2  TYR   7          2HD       TYR   7   2.914   0.507  -6.406
   73    HE1  TYR   7          1HE       TYR   7   7.328   1.823  -4.671
   74    HE2  TYR   7          2HE       TYR   7   3.922   2.630  -7.111
   75    HH   TYR   7           HH       TYR   7   5.573   4.238  -6.312
   76    H    ARG   8           H        ARG   8   6.140  -1.730  -6.965
   77    HA   ARG   8           HA       ARG   8   7.871  -3.696  -5.635
   78    HB2  ARG   8          1HB       ARG   8   9.047  -4.141  -7.721
   79    HB3  ARG   8          2HB       ARG   8   7.345  -4.543  -7.880
   80    HG2  ARG   8          1HG       ARG   8   6.937  -2.535  -9.156
   81    HG3  ARG   8          2HG       ARG   8   8.595  -1.988  -8.887
   82    HD2  ARG   8          1HD       ARG   8   7.700  -4.395 -10.477
   83    HD3  ARG   8          2HD       ARG   8   8.455  -2.925 -11.097
   84    HE   ARG   8           HE       ARG   8  10.069  -4.277  -9.147
   85   HH11  ARG   8          1HH1      ARG   8   9.246  -4.169 -12.555
   86   HH12  ARG   8          2HH1      ARG   8  10.708  -4.956 -13.053
   87   HH21  ARG   8          1HH2      ARG   8  11.998  -5.268  -9.805
   88   HH22  ARG   8          2HH2      ARG   8  12.288  -5.560 -11.493
   89    H    GLY   9           H        GLY   9   9.955  -3.045  -5.231
   90    HA2  GLY   9          1HA       GLY   9  11.527  -1.069  -6.082
   91    HA3  GLY   9          2HA       GLY   9  10.343  -0.157  -5.151
   92    H    SER  10           H        SER  10   9.907  -1.147  -2.920
   93    HA   SER  10           HA       SER  10  11.843  -2.806  -1.696
   94    HB2  SER  10          1HB       SER  10  12.850  -1.195  -0.135
   95    HB3  SER  10          2HB       SER  10  13.225  -0.753  -1.799
   96    HG   SER  10           HG       SER  10  11.832   0.924  -1.685
   97    H    GLU  11           H        GLU  11  11.132  -3.505   0.332
   98    HA   GLU  11           HA       GLU  11   8.417  -3.581   0.775
   99    HB2  GLU  11          1HB       GLU  11  10.650  -3.894   2.793
  100    HB3  GLU  11          2HB       GLU  11   8.980  -4.377   3.072
  101    HG2  GLU  11          1HG       GLU  11   9.093  -6.056   1.388
  102    HG3  GLU  11          2HG       GLU  11  10.649  -5.460   0.811
  103    H    GLU  12           H        GLU  12  10.755  -1.260   2.018
  104    HA   GLU  12           HA       GLU  12   9.067   0.004   3.887
  105    HB2  GLU  12          1HB       GLU  12  11.476   0.333   3.959
  106    HB3  GLU  12          2HB       GLU  12  11.450   1.102   2.376
  107    HG2  GLU  12          1HG       GLU  12  10.166   2.958   3.254
  108    HG3  GLU  12          2HG       GLU  12  10.056   2.175   4.828
  109    H    GLU  13           H        GLU  13   9.970   1.122   0.571
  110    HA   GLU  13           HA       GLU  13   8.182   3.303   0.648
  111    HB2  GLU  13          1HB       GLU  13   8.581   3.570  -1.724
  112    HB3  GLU  13          2HB       GLU  13  10.093   3.174  -0.924
  113    HG2  GLU  13          1HG       GLU  13   9.831   0.828  -1.678
  114    HG3  GLU  13          2HG       GLU  13   8.386   1.310  -2.568
  115    H    CYS  14           H        CYS  14   7.754  -0.046  -0.152
  116    HA   CYS  14           HA       CYS  14   5.243   0.143  -1.426
  117    HB2  CYS  14          2HB       CYS  14   6.419  -2.130   0.195
  118    HB3  CYS  14          1HB       CYS  14   5.002  -2.254  -0.845
  119    H    ARG  15           H        ARG  15   6.061  -0.577   2.003
  120    HA   ARG  15           HA       ARG  15   3.354  -0.614   2.843
  121    HB2  ARG  15          1HB       ARG  15   4.180  -0.499   5.127
  122    HB3  ARG  15          2HB       ARG  15   5.118  -1.653   4.192
  123    HG2  ARG  15          1HG       ARG  15   7.029  -0.377   4.262
  124    HG3  ARG  15          2HG       ARG  15   6.146   1.139   4.448
  125    HD2  ARG  15          1HD       ARG  15   6.320  -0.991   6.584
  126    HD3  ARG  15          2HD       ARG  15   7.388   0.411   6.493
  127    HE   ARG  15           HE       ARG  15   5.098   1.670   6.524
  128   HH11  ARG  15          1HH1      ARG  15   5.933  -1.180   8.388
  129   HH12  ARG  15          2HH1      ARG  15   4.897  -0.760   9.712
  130   HH21  ARG  15          1HH2      ARG  15   3.759   2.225   8.261
  131   HH22  ARG  15          2HH2      ARG  15   3.660   1.177   9.647
  132    H    LYS  16           H        LYS  16   5.750   1.944   2.597
  133    HA   LYS  16           HA       LYS  16   4.363   4.007   3.885
  134    HB2  LYS  16          1HB       LYS  16   6.207   4.133   1.480
  135    HB3  LYS  16          2HB       LYS  16   5.645   5.543   2.364
  136    HG2  LYS  16          1HG       LYS  16   7.348   3.319   3.487
  137    HG3  LYS  16          2HG       LYS  16   7.911   4.920   3.009
  138    HD2  LYS  16          1HD       LYS  16   5.959   4.290   5.228
  139    HD3  LYS  16          2HD       LYS  16   7.634   4.808   5.420
  140    HE2  LYS  16          1HE       LYS  16   5.385   6.416   4.202
  141    HE3  LYS  16          2HE       LYS  16   6.121   6.679   5.781
  142    HZ1  LYS  16          1HZ       LYS  16   7.013   8.227   4.201
  143    HZ2  LYS  16          2HZ       LYS  16   7.446   6.987   3.140
  144    HZ3  LYS  16          3HZ       LYS  16   8.232   7.135   4.629
  145    H    TYR  17           H        TYR  17   4.442   3.171   0.427
  146    HA   TYR  17           HA       TYR  17   2.529   4.874  -0.561
  147    HB2  TYR  17          2HB       TYR  17   3.919   3.330  -1.925
  148    HB3  TYR  17          1HB       TYR  17   2.957   1.974  -1.354
  149    HD1  TYR  17          1HD       TYR  17   0.800   1.487  -2.320
  150    HD2  TYR  17          2HD       TYR  17   2.916   5.006  -3.472
  151    HE1  TYR  17          1HE       TYR  17  -0.735   1.787  -4.217
  152    HE2  TYR  17          2HE       TYR  17   1.379   5.310  -5.368
  153    HH   TYR  17           HH       TYR  17  -0.099   3.871  -6.779
  154    H    ALA  18           H        ALA  18   2.050   1.665   0.878
  155    HA   ALA  18           HA       ALA  18  -0.726   1.492   0.561
  156    HB1  ALA  18          1HB       ALA  18   0.978   0.276   2.735
  157    HB2  ALA  18          2HB       ALA  18   0.696  -0.410   1.134
  158    HB3  ALA  18          3HB       ALA  18  -0.644  -0.244   2.267
  159    H    GLU  19           H        GLU  19   1.022   2.347   3.576
  160    HA   GLU  19           HA       GLU  19  -1.373   2.881   4.986
  161    HB2  GLU  19          1HB       GLU  19   0.055   3.717   6.773
  162    HB3  GLU  19          2HB       GLU  19   0.697   2.220   6.114
  163    HG2  GLU  19          1HG       GLU  19   2.308   3.553   4.782
  164    HG3  GLU  19          2HG       GLU  19   1.716   5.006   5.585
  165    H    GLU  20           H        GLU  20   0.844   4.950   3.194
  166    HA   GLU  20           HA       GLU  20  -0.335   7.397   4.060
  167    HB2  GLU  20          1HB       GLU  20   1.386   6.784   1.648
  168    HB3  GLU  20          2HB       GLU  20   0.899   8.404   2.138
  169    HG2  GLU  20          1HG       GLU  20   2.036   8.069   4.303
  170    HG3  GLU  20          2HG       GLU  20   2.581   6.487   3.748
  171    H    LEU  21           H        LEU  21  -0.902   5.191   1.378
  172    HA   LEU  21           HA       LEU  21  -2.806   6.753  -0.007
  173    HB2  LEU  21          1HB       LEU  21  -1.629   4.534  -0.670
  174    HB3  LEU  21          2HB       LEU  21  -2.908   3.742   0.220
  175    HG   LEU  21           HG       LEU  21  -3.356   5.554  -2.167
  176   HD11  LEU  21          1HD1      LEU  21  -3.799   3.484  -3.416
  177   HD12  LEU  21          2HD1      LEU  21  -3.302   2.538  -2.010
  178   HD13  LEU  21          3HD1      LEU  21  -2.134   3.568  -2.839
  179   HD21  LEU  21          1HD2      LEU  21  -5.608   4.575  -2.195
  180   HD22  LEU  21          2HD2      LEU  21  -5.297   5.453  -0.698
  181   HD23  LEU  21          3HD2      LEU  21  -5.240   3.690  -0.713
  182    H    SER  22           H        SER  22  -3.025   4.483   2.693
  183    HA   SER  22           HA       SER  22  -5.860   4.485   2.852
  184    HB2  SER  22          1HB       SER  22  -4.391   2.664   3.735
  185    HB3  SER  22          2HB       SER  22  -3.877   3.750   5.025
  186    HG   SER  22           HG       SER  22  -6.623   3.283   4.596
  187    H    ARG  23           H        ARG  23  -3.348   6.466   4.395
  188    HA   ARG  23           HA       ARG  23  -5.213   7.763   6.169
  189    HB2  ARG  23          1HB       ARG  23  -3.418   9.291   6.737
  190    HB3  ARG  23          2HB       ARG  23  -2.787   7.650   6.709
  191    HG2  ARG  23          1HG       ARG  23  -1.717   8.020   4.606
  192    HG3  ARG  23          2HG       ARG  23  -2.505   9.586   4.419
  193    HD2  ARG  23          1HD       ARG  23  -0.552   8.900   6.618
  194    HD3  ARG  23          2HD       ARG  23  -0.123   9.740   5.127
  195    HE   ARG  23           HE       ARG  23  -2.271  11.011   6.536
  196   HH11  ARG  23          1HH1      ARG  23   1.225  10.735   6.366
  197   HH12  ARG  23          2HH1      ARG  23   1.498  12.285   7.097
  198   HH21  ARG  23          1HH2      ARG  23  -1.909  13.032   7.477
  199   HH22  ARG  23          2HH2      ARG  23  -0.286  13.593   7.736
  200    H    ARG  24           H        ARG  24  -3.948   8.319   2.948
  201    HA   ARG  24           HA       ARG  24  -4.947  10.956   2.594
  202    HB2  ARG  24          1HB       ARG  24  -3.233  10.076   1.118
  203    HB3  ARG  24          2HB       ARG  24  -4.291   8.769   0.603
  204    HG2  ARG  24          1HG       ARG  24  -5.798  10.422  -0.428
  205    HG3  ARG  24          2HG       ARG  24  -4.684  11.706   0.045
  206    HD2  ARG  24          1HD       ARG  24  -2.919  10.650  -1.305
  207    HD3  ARG  24          2HD       ARG  24  -4.060   9.400  -1.803
  208    HE   ARG  24           HE       ARG  24  -5.391  11.435  -2.681
  209   HH11  ARG  24          1HH1      ARG  24  -1.898  11.078  -2.750
  210   HH12  ARG  24          2HH1      ARG  24  -1.695  12.141  -4.107
  211   HH21  ARG  24          1HH2      ARG  24  -5.117  12.851  -4.443
  212   HH22  ARG  24          2HH2      ARG  24  -3.524  13.166  -5.053
  213    H    THR  25           H        THR  25  -6.109   7.996   1.019
  214    HA   THR  25           HA       THR  25  -8.749   9.189   0.709
  215    HB   THR  25           HB       THR  25  -7.756   6.525  -0.337
  216    HG1  THR  25          1HG       THR  25  -7.616   8.077  -2.322
  217   HG21  THR  25          1HG2      THR  25 -10.199   6.845  -0.413
  218   HG22  THR  25          2HG2      THR  25  -9.506   6.835  -2.035
  219   HG23  THR  25          3HG2      THR  25  -9.972   8.361  -1.284
  220    H    GLY  26           H        GLY  26 -10.565   8.455   1.743
  221    HA2  GLY  26          1HA       GLY  26 -10.289   6.891   4.104
  222    HA3  GLY  26          2HA       GLY  26 -11.799   7.447   3.394
  223    H    CYS  27           H        CYS  27  -9.269   5.000   3.013
  224    HA   CYS  27           HA       CYS  27 -11.261   2.947   2.518
  225    HB2  CYS  27          2HB       CYS  27  -9.169   3.712   0.467
  226    HB3  CYS  27          1HB       CYS  27 -10.026   2.175   0.444
  227    H    GLU  28           H        GLU  28 -10.106   0.787   2.204
  228    HA   GLU  28           HA       GLU  28  -7.647   0.681   3.821
  229    HB2  GLU  28          1HB       GLU  28  -9.519  -0.479   4.898
  230    HB3  GLU  28          2HB       GLU  28  -9.802  -1.419   3.439
  231    HG2  GLU  28          1HG       GLU  28  -7.694  -2.545   3.684
  232    HG3  GLU  28          2HG       GLU  28  -7.266  -1.528   5.061
  233    H    VAL  29           H        VAL  29  -5.917   0.331   2.613
  234    HA   VAL  29           HA       VAL  29  -6.219  -1.186   0.108
  235    HB   VAL  29           HB       VAL  29  -5.606   1.124  -0.342
  236   HG11  VAL  29          1HG1      VAL  29  -3.215   0.642   1.441
  237   HG12  VAL  29          2HG1      VAL  29  -4.575   1.713   1.778
  238   HG13  VAL  29          3HG1      VAL  29  -3.478   2.075   0.447
  239   HG21  VAL  29          1HG2      VAL  29  -4.682  -0.601  -1.802
  240   HG22  VAL  29          2HG2      VAL  29  -3.264  -0.739  -0.761
  241   HG23  VAL  29          3HG2      VAL  29  -3.566   0.757  -1.647
  242    H    GLU  30           H        GLU  30  -5.114  -2.988  -0.088
  243    HA   GLU  30           HA       GLU  30  -3.099  -3.670   1.957
  244    HB2  GLU  30          1HB       GLU  30  -5.266  -4.975   1.964
  245    HB3  GLU  30          2HB       GLU  30  -4.856  -5.553   0.355
  246    HG2  GLU  30          1HG       GLU  30  -2.835  -6.612   1.262
  247    HG3  GLU  30          2HG       GLU  30  -3.277  -6.047   2.874
  248    H    VAL  31           H        VAL  31  -1.092  -3.658   1.110
  249    HA   VAL  31           HA       VAL  31  -0.818  -4.066  -1.793
  250    HB   VAL  31           HB       VAL  31   0.906  -2.349   0.020
  251   HG11  VAL  31          1HG1      VAL  31   2.195  -3.283  -1.827
  252   HG12  VAL  31          2HG1      VAL  31   1.948  -1.553  -2.060
  253   HG13  VAL  31          3HG1      VAL  31   0.987  -2.711  -2.980
  254   HG21  VAL  31          1HG2      VAL  31  -0.076  -0.436  -1.180
  255   HG22  VAL  31          2HG2      VAL  31  -1.302  -1.357  -0.310
  256   HG23  VAL  31          3HG2      VAL  31  -1.140  -1.538  -2.055
  257    H    GLU  32           H        GLU  32   0.744  -5.367  -2.541
  258    HA   GLU  32           HA       GLU  32   2.418  -6.844  -0.611
  259    HB2  GLU  32          1HB       GLU  32   0.886  -8.337  -1.775
  260    HB3  GLU  32          2HB       GLU  32   1.332  -7.652  -3.331
  261    HG2  GLU  32          1HG       GLU  32   2.374  -9.799  -3.080
  262    HG3  GLU  32          2HG       GLU  32   3.613  -8.550  -3.041
  263    H    CYS  33           H        CYS  33   4.645  -6.993  -1.075
  264    HA   CYS  33           HA       CYS  33   5.508  -4.915  -2.990
  265    HB2  CYS  33          2HB       CYS  33   5.767  -4.328  -0.582
  266    HB3  CYS  33          1HB       CYS  33   6.859  -5.695  -0.400
  267    H    GLU  34           H        GLU  34   7.035  -5.337  -4.410
  268    HA   GLU  34           HA       GLU  34   8.720  -7.742  -4.107
  269    HB2  GLU  34          1HB       GLU  34   7.667  -6.614  -6.724
  270    HB3  GLU  34          2HB       GLU  34   8.710  -8.019  -6.544
  271    HG2  GLU  34          1HG       GLU  34   6.900  -9.177  -5.336
  272    HG3  GLU  34          2HG       GLU  34   5.860  -7.774  -5.594
  273    H    THR  35           H        THR  35  10.650  -7.392  -5.828
  274    HA   THR  35           HA       THR  35  11.702  -4.695  -5.304
  275    HB   THR  35           HB       THR  35  13.237  -7.176  -6.130
  276    HG1  THR  35          1HG       THR  35  12.401  -6.197  -3.652
  277   HG21  THR  35          1HG2      THR  35  15.209  -5.875  -5.396
  278   HG22  THR  35          2HG2      THR  35  14.168  -4.481  -5.100
  279   HG23  THR  35          3HG2      THR  35  14.375  -5.096  -6.741
  Start of MODEL    5
    1    H1   CYS   1          1H        CYS   1 -14.600  -1.266  -1.519
    2    H2   CYS   1          2H        CYS   1 -13.570  -0.930  -2.817
    3    H3   CYS   1          3H        CYS   1 -14.830   0.130  -2.448
    4    HA   CYS   1           HA       CYS   1 -12.731   1.014  -1.726
    5    HB2  CYS   1          2HB       CYS   1 -14.819   1.512  -0.471
    6    HB3  CYS   1          1HB       CYS   1 -14.479   0.155   0.596
    7    H    LYS   2           H        LYS   2 -12.605  -2.137  -1.818
    8    HA   LYS   2           HA       LYS   2 -10.338  -2.291   0.064
    9    HB2  LYS   2          1HB       LYS   2 -12.115  -4.466  -1.053
   10    HB3  LYS   2          2HB       LYS   2 -10.542  -4.821  -0.350
   11    HG2  LYS   2          1HG       LYS   2 -11.335  -3.686   1.752
   12    HG3  LYS   2          2HG       LYS   2 -12.942  -3.623   1.023
   13    HD2  LYS   2          1HD       LYS   2 -12.995  -6.047   0.851
   14    HD3  LYS   2          2HD       LYS   2 -11.352  -6.158   1.480
   15    HE2  LYS   2          1HE       LYS   2 -12.950  -6.678   3.232
   16    HE3  LYS   2          2HE       LYS   2 -12.121  -5.165   3.603
   17    HZ1  LYS   2          1HZ       LYS   2 -14.477  -4.981   4.035
   18    HZ2  LYS   2          2HZ       LYS   2 -14.845  -5.423   2.449
   19    HZ3  LYS   2          3HZ       LYS   2 -14.052  -3.962   2.756
   20    H    GLN   3           H        GLN   3  -8.434  -2.097  -0.856
   21    HA   GLN   3           HA       GLN   3  -8.152  -2.769  -3.716
   22    HB2  GLN   3          1HB       GLN   3  -6.613  -0.760  -2.058
   23    HB3  GLN   3          2HB       GLN   3  -6.281  -1.139  -3.740
   24    HG2  GLN   3          1HG       GLN   3  -8.986  -0.184  -2.908
   25    HG3  GLN   3          2HG       GLN   3  -7.671   0.961  -3.157
   26   HE21  GLN   3          1HE2      GLN   3  -8.856   1.160  -6.435
   27   HE22  GLN   3          2HE2      GLN   3  -8.695   1.929  -4.897
   28    H    ARG   4           H        ARG   4  -6.845  -4.327  -4.197
   29    HA   ARG   4           HA       ARG   4  -4.782  -5.201  -2.263
   30    HB2  ARG   4          1HB       ARG   4  -6.812  -6.763  -2.970
   31    HB3  ARG   4          2HB       ARG   4  -5.854  -7.011  -4.420
   32    HG2  ARG   4          1HG       ARG   4  -4.820  -7.511  -1.632
   33    HG3  ARG   4          2HG       ARG   4  -5.575  -8.748  -2.634
   34    HD2  ARG   4          1HD       ARG   4  -3.091  -7.186  -3.363
   35    HD3  ARG   4          2HD       ARG   4  -3.108  -8.825  -2.709
   36    HE   ARG   4           HE       ARG   4  -4.541  -8.291  -5.215
   37   HH11  ARG   4          1HH1      ARG   4  -1.857  -9.809  -3.539
   38   HH12  ARG   4          2HH1      ARG   4  -1.412 -10.792  -4.899
   39   HH21  ARG   4          1HH2      ARG   4  -3.960  -9.605  -6.985
   40   HH22  ARG   4          2HH2      ARG   4  -2.606 -10.683  -6.849
   41    H    ARG   5           H        ARG   5  -2.841  -4.493  -2.955
   42    HA   ARG   5           HA       ARG   5  -2.581  -3.896  -5.839
   43    HB2  ARG   5          1HB       ARG   5  -2.729  -2.013  -4.046
   44    HB3  ARG   5          2HB       ARG   5  -1.078  -2.458  -3.673
   45    HG2  ARG   5          1HG       ARG   5  -1.273  -0.531  -5.221
   46    HG3  ARG   5          2HG       ARG   5  -0.326  -1.874  -5.863
   47    HD2  ARG   5          1HD       ARG   5  -1.910  -0.834  -7.502
   48    HD3  ARG   5          2HD       ARG   5  -2.120  -2.569  -7.279
   49    HE   ARG   5           HE       ARG   5  -3.849  -1.114  -5.563
   50   HH11  ARG   5          1HH1      ARG   5  -3.444  -1.966  -8.936
   51   HH12  ARG   5          2HH1      ARG   5  -5.151  -2.004  -9.261
   52   HH21  ARG   5          1HH2      ARG   5  -6.117  -1.143  -6.020
   53   HH22  ARG   5          2HH2      ARG   5  -6.650  -1.548  -7.618
   54    H    ARG   6           H        ARG   6  -0.568  -4.062  -6.807
   55    HA   ARG   6           HA       ARG   6   1.455  -5.656  -5.381
   56    HB2  ARG   6          1HB       ARG   6   2.089  -6.586  -7.609
   57    HB3  ARG   6          2HB       ARG   6   0.465  -7.032  -7.107
   58    HG2  ARG   6          1HG       ARG   6  -0.448  -5.268  -8.576
   59    HG3  ARG   6          2HG       ARG   6   1.190  -4.899  -9.116
   60    HD2  ARG   6          1HD       ARG   6   1.404  -7.230  -9.934
   61    HD3  ARG   6          2HD       ARG   6  -0.273  -7.519  -9.464
   62    HE   ARG   6           HE       ARG   6   0.553  -5.566 -11.524
   63   HH11  ARG   6          1HH1      ARG   6  -1.716  -7.936 -10.289
   64   HH12  ARG   6          2HH1      ARG   6  -2.769  -7.832 -11.667
   65   HH21  ARG   6          1HH2      ARG   6  -0.831  -5.448 -13.342
   66   HH22  ARG   6          2HH2      ARG   6  -2.269  -6.420 -13.392
   67    H    TYR   7           H        TYR   7   3.096  -4.404  -4.891
   68    HA   TYR   7           HA       TYR   7   3.903  -2.217  -6.717
   69    HB2  TYR   7          2HB       TYR   7   2.822  -1.601  -4.454
   70    HB3  TYR   7          1HB       TYR   7   4.274  -2.248  -3.707
   71    HD1  TYR   7          1HD       TYR   7   6.516  -1.136  -4.273
   72    HD2  TYR   7          2HD       TYR   7   2.749   0.600  -5.256
   73    HE1  TYR   7          1HE       TYR   7   7.588   1.067  -4.484
   74    HE2  TYR   7          2HE       TYR   7   3.817   2.802  -5.475
   75    HH   TYR   7           HH       TYR   7   5.880   3.940  -4.572
   76    H    ARG   8           H        ARG   8   6.175  -2.019  -7.069
   77    HA   ARG   8           HA       ARG   8   7.783  -4.194  -5.890
   78    HB2  ARG   8          1HB       ARG   8   8.972  -4.454  -7.991
   79    HB3  ARG   8          2HB       ARG   8   7.246  -4.685  -8.236
   80    HG2  ARG   8          1HG       ARG   8   7.095  -2.388  -9.132
   81    HG3  ARG   8          2HG       ARG   8   8.843  -2.224  -8.943
   82    HD2  ARG   8          1HD       ARG   8   9.147  -4.165 -10.454
   83    HD3  ARG   8          2HD       ARG   8   7.400  -4.221 -10.693
   84    HE   ARG   8           HE       ARG   8   8.740  -1.711 -11.329
   85   HH11  ARG   8          1HH1      ARG   8   7.332  -4.691 -12.496
   86   HH12  ARG   8          2HH1      ARG   8   7.187  -4.135 -14.131
   87   HH21  ARG   8          1HH2      ARG   8   8.596  -0.986 -13.489
   88   HH22  ARG   8          2HH2      ARG   8   7.907  -2.029 -14.699
   89    H    GLY   9           H        GLY   9   9.825  -3.754  -5.268
   90    HA2  GLY   9          1HA       GLY   9  11.655  -1.919  -5.781
   91    HA3  GLY   9          2HA       GLY   9  10.483  -0.927  -4.919
   92    H    SER  10           H        SER  10  10.113  -1.286  -2.731
   93    HA   SER  10           HA       SER  10  11.508  -3.395  -1.322
   94    HB2  SER  10          1HB       SER  10  12.113  -0.471  -0.742
   95    HB3  SER  10          2HB       SER  10  12.650  -1.839   0.237
   96    HG   SER  10           HG       SER  10  13.380  -1.215  -2.432
   97    H    GLU  11           H        GLU  11  10.667  -3.724   0.787
   98    HA   GLU  11           HA       GLU  11   7.940  -3.324   1.069
   99    HB2  GLU  11          1HB       GLU  11   8.218  -4.068   3.406
  100    HB3  GLU  11          2HB       GLU  11   9.105  -5.081   2.275
  101    HG2  GLU  11          1HG       GLU  11  11.177  -3.906   2.854
  102    HG3  GLU  11          2HG       GLU  11  10.284  -2.913   4.005
  103    H    GLU  12           H        GLU  12  10.613  -1.337   2.112
  104    HA   GLU  12           HA       GLU  12   9.351   0.495   3.770
  105    HB2  GLU  12          1HB       GLU  12  11.764   0.510   3.390
  106    HB3  GLU  12          2HB       GLU  12  11.528   0.952   1.707
  107    HG2  GLU  12          1HG       GLU  12  12.229   2.887   2.926
  108    HG3  GLU  12          2HG       GLU  12  10.547   3.106   2.448
  109    H    GLU  13           H        GLU  13   9.912   0.849   0.271
  110    HA   GLU  13           HA       GLU  13   8.368   3.112  -0.179
  111    HB2  GLU  13          1HB       GLU  13   8.937   0.787  -2.040
  112    HB3  GLU  13          2HB       GLU  13   8.310   2.348  -2.554
  113    HG2  GLU  13          1HG       GLU  13  10.951   1.991  -1.152
  114    HG3  GLU  13          2HG       GLU  13  10.765   2.000  -2.904
  115    H    CYS  14           H        CYS  14   7.475  -0.304  -0.289
  116    HA   CYS  14           HA       CYS  14   4.882   0.087  -1.334
  117    HB2  CYS  14          2HB       CYS  14   6.038  -2.241   0.223
  118    HB3  CYS  14          1HB       CYS  14   4.519  -2.277  -0.667
  119    H    ARG  15           H        ARG  15   6.059  -0.257   2.012
  120    HA   ARG  15           HA       ARG  15   3.412  -0.166   3.124
  121    HB2  ARG  15          1HB       ARG  15   6.161   0.001   4.359
  122    HB3  ARG  15          2HB       ARG  15   4.691   0.170   5.313
  123    HG2  ARG  15          1HG       ARG  15   5.436  -2.234   3.646
  124    HG3  ARG  15          2HG       ARG  15   5.575  -2.111   5.401
  125    HD2  ARG  15          1HD       ARG  15   3.168  -1.874   5.612
  126    HD3  ARG  15          2HD       ARG  15   2.985  -1.854   3.859
  127    HE   ARG  15           HE       ARG  15   4.227  -4.225   4.974
  128   HH11  ARG  15          1HH1      ARG  15   1.193  -2.728   4.032
  129   HH12  ARG  15          2HH1      ARG  15   0.416  -4.242   3.675
  130   HH21  ARG  15          1HH2      ARG  15   3.195  -6.203   4.538
  131   HH22  ARG  15          2HH2      ARG  15   1.549  -6.221   3.988
  132    H    LYS  16           H        LYS  16   5.871   2.192   2.340
  133    HA   LYS  16           HA       LYS  16   4.726   4.410   3.684
  134    HB2  LYS  16          1HB       LYS  16   6.533   4.131   1.289
  135    HB3  LYS  16          2HB       LYS  16   5.899   5.704   1.746
  136    HG2  LYS  16          1HG       LYS  16   7.470   3.930   3.607
  137    HG3  LYS  16          2HG       LYS  16   8.187   5.198   2.610
  138    HD2  LYS  16          1HD       LYS  16   6.777   6.873   3.718
  139    HD3  LYS  16          2HD       LYS  16   6.040   5.610   4.703
  140    HE2  LYS  16          1HE       LYS  16   8.980   6.304   4.716
  141    HE3  LYS  16          2HE       LYS  16   7.804   6.895   5.887
  142    HZ1  LYS  16          1HZ       LYS  16   9.032   4.965   6.700
  143    HZ2  LYS  16          2HZ       LYS  16   8.448   4.037   5.418
  144    HZ3  LYS  16          3HZ       LYS  16   7.378   4.641   6.578
  145    H    TYR  17           H        TYR  17   4.345   3.135   0.398
  146    HA   TYR  17           HA       TYR  17   2.453   4.946  -0.561
  147    HB2  TYR  17          2HB       TYR  17   3.612   3.317  -1.993
  148    HB3  TYR  17          1HB       TYR  17   2.772   1.996  -1.194
  149    HD1  TYR  17          1HD       TYR  17   0.752   1.198  -2.078
  150    HD2  TYR  17          2HD       TYR  17   2.139   5.059  -3.233
  151    HE1  TYR  17          1HE       TYR  17  -1.045   1.342  -3.749
  152    HE2  TYR  17          2HE       TYR  17   0.341   5.208  -4.903
  153    HH   TYR  17           HH       TYR  17  -1.110   3.732  -6.176
  154    H    ALA  18           H        ALA  18   2.002   1.832   1.093
  155    HA   ALA  18           HA       ALA  18  -0.800   1.837   1.184
  156    HB1  ALA  18          1HB       ALA  18  -0.578   0.185   2.970
  157    HB2  ALA  18          2HB       ALA  18   1.125   0.605   3.158
  158    HB3  ALA  18          3HB       ALA  18   0.562  -0.142   1.663
  159    H    GLU  19           H        GLU  19   1.565   3.061   3.530
  160    HA   GLU  19           HA       GLU  19  -0.152   3.891   5.559
  161    HB2  GLU  19          1HB       GLU  19   2.195   3.857   5.980
  162    HB3  GLU  19          2HB       GLU  19   2.531   4.920   4.625
  163    HG2  GLU  19          1HG       GLU  19   2.844   6.142   6.652
  164    HG3  GLU  19          2HG       GLU  19   1.406   6.763   5.848
  165    H    GLU  20           H        GLU  20   1.267   5.916   2.995
  166    HA   GLU  20           HA       GLU  20  -0.138   8.241   3.588
  167    HB2  GLU  20          1HB       GLU  20   1.031   7.284   0.966
  168    HB3  GLU  20          2HB       GLU  20   0.422   8.915   1.227
  169    HG2  GLU  20          1HG       GLU  20   2.081   9.302   2.945
  170    HG3  GLU  20          2HG       GLU  20   2.651   7.640   2.807
  171    H    LEU  21           H        LEU  21  -0.961   5.601   1.373
  172    HA   LEU  21           HA       LEU  21  -3.217   6.821   0.201
  173    HB2  LEU  21          1HB       LEU  21  -1.844   4.549  -0.286
  174    HB3  LEU  21          2HB       LEU  21  -3.217   3.862   0.560
  175    HG   LEU  21           HG       LEU  21  -3.270   5.470  -2.003
  176   HD11  LEU  21          1HD1      LEU  21  -4.134   3.393  -2.975
  177   HD12  LEU  21          2HD1      LEU  21  -3.939   2.586  -1.417
  178   HD13  LEU  21          3HD1      LEU  21  -2.524   3.182  -2.285
  179   HD21  LEU  21          1HD2      LEU  21  -5.602   4.361  -0.426
  180   HD22  LEU  21          2HD2      LEU  21  -5.694   5.044  -2.050
  181   HD23  LEU  21          3HD2      LEU  21  -5.230   6.067  -0.690
  182    H    SER  22           H        SER  22  -2.938   4.566   2.934
  183    HA   SER  22           HA       SER  22  -5.707   4.322   3.408
  184    HB2  SER  22          1HB       SER  22  -4.023   2.682   4.195
  185    HB3  SER  22          2HB       SER  22  -3.416   3.871   5.345
  186    HG   SER  22           HG       SER  22  -6.143   3.388   5.454
  187    H    ARG  23           H        ARG  23  -3.256   6.523   4.728
  188    HA   ARG  23           HA       ARG  23  -5.142   7.677   6.596
  189    HB2  ARG  23          1HB       ARG  23  -3.356   9.143   7.276
  190    HB3  ARG  23          2HB       ARG  23  -2.723   7.510   7.133
  191    HG2  ARG  23          1HG       ARG  23  -1.835   8.135   4.878
  192    HG3  ARG  23          2HG       ARG  23  -2.331   9.796   5.206
  193    HD2  ARG  23          1HD       ARG  23  -0.369   8.162   6.819
  194    HD3  ARG  23          2HD       ARG  23   0.030   9.478   5.717
  195    HE   ARG  23           HE       ARG  23  -1.388  10.883   7.310
  196   HH11  ARG  23          1HH1      ARG  23   0.338   8.031   8.383
  197   HH12  ARG  23          2HH1      ARG  23   0.718   8.693   9.945
  198   HH21  ARG  23          1HH2      ARG  23  -0.910  11.760   9.363
  199   HH22  ARG  23          2HH2      ARG  23   0.018  10.828  10.498
  200    H    ARG  24           H        ARG  24  -4.170   8.244   3.324
  201    HA   ARG  24           HA       ARG  24  -5.007  10.980   3.193
  202    HB2  ARG  24          1HB       ARG  24  -3.441  10.074   1.543
  203    HB3  ARG  24          2HB       ARG  24  -4.657   8.928   0.988
  204    HG2  ARG  24          1HG       ARG  24  -6.054  10.759   0.196
  205    HG3  ARG  24          2HG       ARG  24  -4.882  11.933   0.798
  206    HD2  ARG  24          1HD       ARG  24  -3.213  11.104  -0.771
  207    HD3  ARG  24          2HD       ARG  24  -4.335   9.864  -1.338
  208    HE   ARG  24           HE       ARG  24  -5.751  12.056  -1.795
  209   HH11  ARG  24          1HH1      ARG  24  -2.405  11.335  -2.559
  210   HH12  ARG  24          2HH1      ARG  24  -2.342  12.460  -3.880
  211   HH21  ARG  24          1HH2      ARG  24  -5.658  13.528  -3.525
  212   HH22  ARG  24          2HH2      ARG  24  -4.194  13.688  -4.444
  213    H    THR  25           H        THR  25  -6.476   7.922   2.117
  214    HA   THR  25           HA       THR  25  -9.107   9.265   2.132
  215    HB   THR  25           HB       THR  25  -9.791   7.489   0.467
  216    HG1  THR  25          1HG       THR  25  -7.576   6.362   1.092
  217   HG21  THR  25          1HG2      THR  25  -8.717   8.576  -1.465
  218   HG22  THR  25          2HG2      THR  25  -7.552   9.345  -0.386
  219   HG23  THR  25          3HG2      THR  25  -9.263   9.761  -0.280
  220    H    GLY  26           H        GLY  26 -10.711   8.362   3.333
  221    HA2  GLY  26          1HA       GLY  26 -10.068   6.333   5.243
  222    HA3  GLY  26          2HA       GLY  26 -11.647   7.065   4.988
  223    H    CYS  27           H        CYS  27  -9.396   4.770   3.486
  224    HA   CYS  27           HA       CYS  27 -11.667   3.049   2.789
  225    HB2  CYS  27          2HB       CYS  27 -10.853   4.570   0.848
  226    HB3  CYS  27          1HB       CYS  27  -9.431   3.532   0.821
  227    H    GLU  28           H        GLU  28 -10.578   0.872   1.801
  228    HA   GLU  28           HA       GLU  28  -8.478   0.146   3.748
  229    HB2  GLU  28          1HB       GLU  28 -10.684  -0.915   4.152
  230    HB3  GLU  28          2HB       GLU  28 -10.622  -1.623   2.544
  231    HG2  GLU  28          1HG       GLU  28 -10.015  -3.213   4.325
  232    HG3  GLU  28          2HG       GLU  28  -8.721  -2.969   3.151
  233    H    VAL  29           H        VAL  29  -6.582  -0.259   2.869
  234    HA   VAL  29           HA       VAL  29  -6.451  -1.508   0.215
  235    HB   VAL  29           HB       VAL  29  -6.089   0.846  -0.212
  236   HG11  VAL  29          1HG1      VAL  29  -4.282   2.120   0.835
  237   HG12  VAL  29          2HG1      VAL  29  -3.898   0.743   1.868
  238   HG13  VAL  29          3HG1      VAL  29  -5.452   1.563   2.034
  239   HG21  VAL  29          1HG2      VAL  29  -3.481  -0.689  -0.276
  240   HG22  VAL  29          2HG2      VAL  29  -3.822   0.777  -1.193
  241   HG23  VAL  29          3HG2      VAL  29  -4.736  -0.694  -1.519
  242    H    GLU  30           H        GLU  30  -5.232  -3.247   0.250
  243    HA   GLU  30           HA       GLU  30  -2.984  -3.421   2.138
  244    HB2  GLU  30          1HB       GLU  30  -4.696  -5.175   2.474
  245    HB3  GLU  30          2HB       GLU  30  -4.517  -5.676   0.799
  246    HG2  GLU  30          1HG       GLU  30  -3.330  -7.151   2.371
  247    HG3  GLU  30          2HG       GLU  30  -2.249  -6.392   1.198
  248    H    VAL  31           H        VAL  31  -0.985  -3.695   1.310
  249    HA   VAL  31           HA       VAL  31  -0.766  -3.835  -1.631
  250    HB   VAL  31           HB       VAL  31   0.976  -2.208   0.253
  251   HG11  VAL  31          1HG1      VAL  31   2.264  -3.042  -1.634
  252   HG12  VAL  31          2HG1      VAL  31   1.993  -1.308  -1.810
  253   HG13  VAL  31          3HG1      VAL  31   1.044  -2.450  -2.761
  254   HG21  VAL  31          1HG2      VAL  31  -1.090  -1.293  -1.762
  255   HG22  VAL  31          2HG2      VAL  31  -0.003  -0.235  -0.865
  256   HG23  VAL  31          3HG2      VAL  31  -1.220  -1.178  -0.007
  257    H    GLU  32           H        GLU  32   0.685  -5.238  -2.439
  258    HA   GLU  32           HA       GLU  32   2.393  -6.715  -0.528
  259    HB2  GLU  32          1HB       GLU  32   1.111  -7.607  -3.119
  260    HB3  GLU  32          2HB       GLU  32   2.373  -8.528  -2.312
  261    HG2  GLU  32          1HG       GLU  32   0.915  -8.683  -0.307
  262    HG3  GLU  32          2HG       GLU  32  -0.353  -7.860  -1.214
  263    H    CYS  33           H        CYS  33   4.547  -7.067  -1.092
  264    HA   CYS  33           HA       CYS  33   5.505  -5.037  -3.004
  265    HB2  CYS  33          2HB       CYS  33   5.764  -4.739  -0.426
  266    HB3  CYS  33          1HB       CYS  33   7.061  -5.920  -0.584
  267    H    GLU  34           H        GLU  34   6.695  -5.750  -4.622
  268    HA   GLU  34           HA       GLU  34   7.961  -8.403  -4.459
  269    HB2  GLU  34          1HB       GLU  34   6.927  -6.887  -6.874
  270    HB3  GLU  34          2HB       GLU  34   7.738  -8.447  -6.931
  271    HG2  GLU  34          1HG       GLU  34   5.136  -7.931  -5.501
  272    HG3  GLU  34          2HG       GLU  34   5.270  -8.574  -7.136
  273    H    THR  35           H        THR  35   9.971  -8.617  -5.685
  274    HA   THR  35           HA       THR  35  11.351  -6.346  -6.675
  275    HB   THR  35           HB       THR  35  11.651  -5.742  -4.357
  276    HG1  THR  35          1HG       THR  35  14.064  -6.127  -4.239
  277   HG21  THR  35          1HG2      THR  35  12.789  -8.509  -3.918
  278   HG22  THR  35          2HG2      THR  35  11.248  -7.913  -3.300
  279   HG23  THR  35          3HG2      THR  35  12.761  -7.208  -2.729
  Start of MODEL    6
    1    H1   CYS   1          1H        CYS   1 -14.685  -0.907  -1.037
    2    H2   CYS   1          2H        CYS   1 -13.458  -0.752  -2.190
    3    H3   CYS   1          3H        CYS   1 -14.517   0.533  -1.905
    4    HA   CYS   1           HA       CYS   1 -12.351   0.892  -0.912
    5    HB2  CYS   1          2HB       CYS   1 -14.814   0.691   0.790
    6    HB3  CYS   1          1HB       CYS   1 -13.291   1.199   1.514
    7    H    LYS   2           H        LYS   2 -12.922  -2.174  -1.088
    8    HA   LYS   2           HA       LYS   2 -10.762  -2.750   0.824
    9    HB2  LYS   2          1HB       LYS   2 -13.189  -4.436   0.191
   10    HB3  LYS   2          2HB       LYS   2 -11.698  -5.168   0.771
   11    HG2  LYS   2          1HG       LYS   2 -11.825  -3.899   2.828
   12    HG3  LYS   2          2HG       LYS   2 -13.251  -3.036   2.243
   13    HD2  LYS   2          1HD       LYS   2 -14.557  -5.050   2.257
   14    HD3  LYS   2          2HD       LYS   2 -13.134  -6.036   2.598
   15    HE2  LYS   2          1HE       LYS   2 -14.178  -3.905   4.460
   16    HE3  LYS   2          2HE       LYS   2 -14.647  -5.601   4.562
   17    HZ1  LYS   2          1HZ       LYS   2 -12.848  -5.050   6.087
   18    HZ2  LYS   2          2HZ       LYS   2 -11.869  -4.575   4.799
   19    HZ3  LYS   2          3HZ       LYS   2 -12.348  -6.190   4.943
   20    H    GLN   3           H        GLN   3  -9.225  -2.388  -0.767
   21    HA   GLN   3           HA       GLN   3  -9.173  -4.313  -2.991
   22    HB2  GLN   3          1HB       GLN   3 -10.309  -2.110  -3.640
   23    HB3  GLN   3          2HB       GLN   3  -8.731  -1.361  -3.474
   24    HG2  GLN   3          1HG       GLN   3  -7.839  -2.781  -5.227
   25    HG3  GLN   3          2HG       GLN   3  -9.376  -3.632  -5.352
   26   HE21  GLN   3          1HE2      GLN   3 -10.805  -0.318  -6.558
   27   HE22  GLN   3          2HE2      GLN   3 -10.954  -1.148  -5.051
   28    H    ARG   4           H        ARG   4  -7.054  -4.561  -3.957
   29    HA   ARG   4           HA       ARG   4  -4.885  -3.556  -2.225
   30    HB2  ARG   4          1HB       ARG   4  -5.060  -6.340  -3.406
   31    HB3  ARG   4          2HB       ARG   4  -3.769  -5.719  -2.384
   32    HG2  ARG   4          1HG       ARG   4  -5.467  -5.427  -0.559
   33    HG3  ARG   4          2HG       ARG   4  -6.629  -6.266  -1.593
   34    HD2  ARG   4          1HD       ARG   4  -4.996  -8.184  -1.690
   35    HD3  ARG   4          2HD       ARG   4  -4.050  -7.354  -0.454
   36    HE   ARG   4           HE       ARG   4  -6.808  -7.727   0.277
   37   HH11  ARG   4          1HH1      ARG   4  -3.603  -9.138   0.314
   38   HH12  ARG   4          2HH1      ARG   4  -3.999 -10.321   1.515
   39   HH21  ARG   4          1HH2      ARG   4  -7.329  -9.275   1.871
   40   HH22  ARG   4          2HH2      ARG   4  -6.116 -10.398   2.408
   41    H    ARG   5           H        ARG   5  -2.732  -3.724  -3.203
   42    HA   ARG   5           HA       ARG   5  -2.645  -3.684  -6.136
   43    HB2  ARG   5          1HB       ARG   5  -1.612  -1.510  -4.294
   44    HB3  ARG   5          2HB       ARG   5  -1.034  -1.704  -5.942
   45    HG2  ARG   5          1HG       ARG   5  -3.887  -1.156  -5.137
   46    HG3  ARG   5          2HG       ARG   5  -2.744   0.030  -5.773
   47    HD2  ARG   5          1HD       ARG   5  -2.568  -1.310  -7.849
   48    HD3  ARG   5          2HD       ARG   5  -3.788  -2.415  -7.212
   49    HE   ARG   5           HE       ARG   5  -4.216   0.379  -8.019
   50   HH11  ARG   5          1HH1      ARG   5  -5.503  -2.762  -7.131
   51   HH12  ARG   5          2HH1      ARG   5  -7.132  -2.342  -7.564
   52   HH21  ARG   5          1HH2      ARG   5  -6.358   0.901  -8.622
   53   HH22  ARG   5          2HH2      ARG   5  -7.611  -0.286  -8.417
   54    H    ARG   6           H        ARG   6  -0.470  -4.029  -6.968
   55    HA   ARG   6           HA       ARG   6   1.337  -5.312  -5.012
   56    HB2  ARG   6          1HB       ARG   6   0.312  -6.863  -6.699
   57    HB3  ARG   6          2HB       ARG   6   1.092  -5.933  -7.973
   58    HG2  ARG   6          1HG       ARG   6   3.294  -6.479  -6.926
   59    HG3  ARG   6          2HG       ARG   6   2.439  -7.538  -5.801
   60    HD2  ARG   6          1HD       ARG   6   3.306  -8.877  -7.594
   61    HD3  ARG   6          2HD       ARG   6   1.552  -8.799  -7.760
   62    HE   ARG   6           HE       ARG   6   3.008  -6.814  -9.284
   63   HH11  ARG   6          1HH1      ARG   6   1.614 -10.035  -9.318
   64   HH12  ARG   6          2HH1      ARG   6   1.533 -10.109 -11.051
   65   HH21  ARG   6          1HH2      ARG   6   2.927  -6.938 -11.548
   66   HH22  ARG   6          2HH2      ARG   6   2.291  -8.357 -12.320
   67    H    TYR   7           H        TYR   7   3.124  -4.155  -4.679
   68    HA   TYR   7           HA       TYR   7   4.137  -2.418  -6.840
   69    HB2  TYR   7          2HB       TYR   7   3.327  -1.200  -4.821
   70    HB3  TYR   7          1HB       TYR   7   4.491  -2.084  -3.842
   71    HD1  TYR   7          1HD       TYR   7   6.780  -1.380  -3.731
   72    HD2  TYR   7          2HD       TYR   7   4.144   0.423  -6.547
   73    HE1  TYR   7          1HE       TYR   7   8.458   0.356  -4.184
   74    HE2  TYR   7          2HE       TYR   7   5.817   2.164  -7.005
   75    HH   TYR   7           HH       TYR   7   9.053   1.931  -5.955
   76    H    ARG   8           H        ARG   8   6.332  -2.441  -7.265
   77    HA   ARG   8           HA       ARG   8   7.859  -4.612  -5.999
   78    HB2  ARG   8          1HB       ARG   8   9.050  -4.652  -8.347
   79    HB3  ARG   8          2HB       ARG   8   7.549  -5.524  -8.086
   80    HG2  ARG   8          1HG       ARG   8   7.228  -4.487 -10.141
   81    HG3  ARG   8          2HG       ARG   8   6.386  -3.424  -9.015
   82    HD2  ARG   8          1HD       ARG   8   7.630  -2.070 -10.542
   83    HD3  ARG   8          2HD       ARG   8   8.423  -1.980  -8.969
   84    HE   ARG   8           HE       ARG   8   9.387  -3.740 -11.143
   85   HH11  ARG   8          1HH1      ARG   8   9.994  -1.449  -8.565
   86   HH12  ARG   8          2HH1      ARG   8  11.705  -1.383  -8.846
   87   HH21  ARG   8          1HH2      ARG   8  11.653  -3.648 -11.531
   88   HH22  ARG   8          2HH2      ARG   8  12.645  -2.628 -10.536
   89    H    GLY   9           H        GLY   9   9.759  -4.107  -5.165
   90    HA2  GLY   9          1HA       GLY   9  11.741  -2.443  -5.880
   91    HA3  GLY   9          2HA       GLY   9  10.579  -1.316  -5.185
   92    H    SER  10           H        SER  10  10.945  -0.853  -3.127
   93    HA   SER  10           HA       SER  10  12.254  -2.878  -1.421
   94    HB2  SER  10          1HB       SER  10  12.246   0.148  -1.190
   95    HB3  SER  10          2HB       SER  10  12.991  -0.946  -0.026
   96    HG   SER  10           HG       SER  10  14.384  -1.663  -1.656
   97    H    GLU  11           H        GLU  11  11.444  -3.326   0.598
   98    HA   GLU  11           HA       GLU  11   8.728  -3.249   1.098
   99    HB2  GLU  11          1HB       GLU  11   9.304  -3.744   3.467
  100    HB3  GLU  11          2HB       GLU  11  10.194  -4.745   2.328
  101    HG2  GLU  11          1HG       GLU  11  12.164  -3.326   2.603
  102    HG3  GLU  11          2HG       GLU  11  11.273  -2.293   3.716
  103    H    GLU  12           H        GLU  12  11.208  -0.894   1.940
  104    HA   GLU  12           HA       GLU  12   9.872   0.796   3.622
  105    HB2  GLU  12          1HB       GLU  12  11.846   1.356   1.402
  106    HB3  GLU  12          2HB       GLU  12  11.401   2.494   2.637
  107    HG2  GLU  12          1HG       GLU  12  12.383   1.180   4.357
  108    HG3  GLU  12          2HG       GLU  12  12.623  -0.169   3.245
  109    H    GLU  13           H        GLU  13  10.109   1.007   0.079
  110    HA   GLU  13           HA       GLU  13   8.401   3.192  -0.283
  111    HB2  GLU  13          1HB       GLU  13   8.857   0.916  -2.231
  112    HB3  GLU  13          2HB       GLU  13   8.338   2.550  -2.622
  113    HG2  GLU  13          1HG       GLU  13  10.508   3.416  -1.886
  114    HG3  GLU  13          2HG       GLU  13  11.023   1.775  -1.496
  115    H    CYS  14           H        CYS  14   7.801  -0.299  -0.419
  116    HA   CYS  14           HA       CYS  14   5.121  -0.214  -1.206
  117    HB2  CYS  14          2HB       CYS  14   6.477  -2.297   0.528
  118    HB3  CYS  14          1HB       CYS  14   5.004  -2.525  -0.412
  119    H    ARG  15           H        ARG  15   6.487  -0.390   2.086
  120    HA   ARG  15           HA       ARG  15   4.007  -0.516   3.436
  121    HB2  ARG  15          1HB       ARG  15   6.724   0.409   4.407
  122    HB3  ARG  15          2HB       ARG  15   5.340   0.140   5.455
  123    HG2  ARG  15          1HG       ARG  15   5.324  -2.219   4.896
  124    HG3  ARG  15          2HG       ARG  15   6.633  -1.978   3.738
  125    HD2  ARG  15          1HD       ARG  15   7.512  -2.892   5.804
  126    HD3  ARG  15          2HD       ARG  15   8.104  -1.248   5.573
  127    HE   ARG  15           HE       ARG  15   5.734  -1.541   7.230
  128   HH11  ARG  15          1HH1      ARG  15   9.219  -1.171   7.114
  129   HH12  ARG  15          2HH1      ARG  15   9.343  -0.691   8.776
  130   HH21  ARG  15          1HH2      ARG  15   5.906  -0.902   9.419
  131   HH22  ARG  15          2HH2      ARG  15   7.467  -0.530  10.081
  132    H    LYS  16           H        LYS  16   6.261   2.220   2.964
  133    HA   LYS  16           HA       LYS  16   4.699   4.132   4.287
  134    HB2  LYS  16          1HB       LYS  16   6.738   4.477   2.079
  135    HB3  LYS  16          2HB       LYS  16   6.036   5.814   2.983
  136    HG2  LYS  16          1HG       LYS  16   7.714   3.576   4.121
  137    HG3  LYS  16          2HG       LYS  16   8.232   5.240   3.854
  138    HD2  LYS  16          1HD       LYS  16   6.090   4.305   5.779
  139    HD3  LYS  16          2HD       LYS  16   7.699   4.891   6.203
  140    HE2  LYS  16          1HE       LYS  16   5.540   6.510   4.839
  141    HE3  LYS  16          2HE       LYS  16   5.971   6.606   6.545
  142    HZ1  LYS  16          1HZ       LYS  16   8.093   7.472   5.995
  143    HZ2  LYS  16          2HZ       LYS  16   6.964   8.357   5.095
  144    HZ3  LYS  16          3HZ       LYS  16   7.884   7.158   4.349
  145    H    TYR  17           H        TYR  17   4.759   3.194   0.871
  146    HA   TYR  17           HA       TYR  17   2.929   5.134  -0.042
  147    HB2  TYR  17          2HB       TYR  17   4.322   3.860  -1.594
  148    HB3  TYR  17          1HB       TYR  17   3.518   2.366  -1.122
  149    HD1  TYR  17          1HD       TYR  17   1.620   1.634  -2.299
  150    HD2  TYR  17          2HD       TYR  17   2.849   5.696  -2.670
  151    HE1  TYR  17          1HE       TYR  17  -0.054   1.971  -4.071
  152    HE2  TYR  17          2HE       TYR  17   1.180   6.043  -4.444
  153    HH   TYR  17           HH       TYR  17  -0.086   4.750  -6.068
  154    H    ALA  18           H        ALA  18   2.506   1.831   1.166
  155    HA   ALA  18           HA       ALA  18  -0.241   1.558   0.754
  156    HB1  ALA  18          1HB       ALA  18   1.419   0.377   2.987
  157    HB2  ALA  18          2HB       ALA  18   1.222  -0.311   1.375
  158    HB3  ALA  18          3HB       ALA  18  -0.165  -0.192   2.459
  159    H    GLU  19           H        GLU  19   1.462   2.658   3.706
  160    HA   GLU  19           HA       GLU  19  -0.919   3.116   5.152
  161    HB2  GLU  19          1HB       GLU  19   0.465   4.343   6.765
  162    HB3  GLU  19          2HB       GLU  19   1.174   2.797   6.327
  163    HG2  GLU  19          1HG       GLU  19   2.864   3.800   5.048
  164    HG3  GLU  19          2HG       GLU  19   2.029   5.353   5.004
  165    H    GLU  20           H        GLU  20   1.163   5.329   3.279
  166    HA   GLU  20           HA       GLU  20  -0.153   7.712   3.900
  167    HB2  GLU  20          1HB       GLU  20   1.773   6.826   1.917
  168    HB3  GLU  20          2HB       GLU  20   0.611   7.921   1.185
  169    HG2  GLU  20          1HG       GLU  20   1.105   9.506   3.112
  170    HG3  GLU  20          2HG       GLU  20   2.466   8.452   3.489
  171    H    LEU  21           H        LEU  21  -0.695   5.510   1.163
  172    HA   LEU  21           HA       LEU  21  -2.848   6.937   0.046
  173    HB2  LEU  21          1HB       LEU  21  -1.508   5.202  -1.126
  174    HB3  LEU  21          2HB       LEU  21  -2.264   3.972  -0.128
  175    HG   LEU  21           HG       LEU  21  -4.462   4.519  -1.119
  176   HD11  LEU  21          1HD1      LEU  21  -4.040   6.878  -1.633
  177   HD12  LEU  21          2HD1      LEU  21  -4.626   5.995  -3.042
  178   HD13  LEU  21          3HD1      LEU  21  -2.913   6.399  -2.903
  179   HD21  LEU  21          1HD2      LEU  21  -4.033   3.575  -3.334
  180   HD22  LEU  21          2HD2      LEU  21  -3.090   2.746  -2.097
  181   HD23  LEU  21          3HD2      LEU  21  -2.313   3.922  -3.157
  182    H    SER  22           H        SER  22  -2.704   4.378   2.468
  183    HA   SER  22           HA       SER  22  -5.501   3.881   2.539
  184    HB2  SER  22          1HB       SER  22  -3.704   2.284   3.302
  185    HB3  SER  22          2HB       SER  22  -3.490   3.295   4.729
  186    HG   SER  22           HG       SER  22  -6.017   2.880   4.726
  187    H    ARG  23           H        ARG  23  -3.382   6.086   4.328
  188    HA   ARG  23           HA       ARG  23  -5.522   6.847   6.125
  189    HB2  ARG  23          1HB       ARG  23  -3.961   8.301   7.199
  190    HB3  ARG  23          2HB       ARG  23  -3.125   6.802   6.848
  191    HG2  ARG  23          1HG       ARG  23  -1.526   8.334   6.270
  192    HG3  ARG  23          2HG       ARG  23  -2.314   8.091   4.714
  193    HD2  ARG  23          1HD       ARG  23  -1.872  10.485   5.262
  194    HD3  ARG  23          2HD       ARG  23  -3.573  10.126   4.957
  195    HE   ARG  23           HE       ARG  23  -2.998   9.931   7.727
  196   HH11  ARG  23          1HH1      ARG  23  -3.414  12.337   5.205
  197   HH12  ARG  23          2HH1      ARG  23  -4.011  13.546   6.296
  198   HH21  ARG  23          1HH2      ARG  23  -3.780  11.501   9.145
  199   HH22  ARG  23          2HH2      ARG  23  -4.226  13.070   8.545
  200    H    ARG  24           H        ARG  24  -4.237   7.877   3.100
  201    HA   ARG  24           HA       ARG  24  -5.324  10.511   3.057
  202    HB2  ARG  24          1HB       ARG  24  -3.479   9.666   1.575
  203    HB3  ARG  24          2HB       ARG  24  -4.669   8.706   0.707
  204    HG2  ARG  24          1HG       ARG  24  -5.842  10.776   0.065
  205    HG3  ARG  24          2HG       ARG  24  -4.609  11.718   0.907
  206    HD2  ARG  24          1HD       ARG  24  -4.244   9.957  -1.516
  207    HD3  ARG  24          2HD       ARG  24  -4.056  11.708  -1.419
  208    HE   ARG  24           HE       ARG  24  -2.279  10.501   0.394
  209   HH11  ARG  24          1HH1      ARG  24  -2.724  10.957  -3.055
  210   HH12  ARG  24          2HH1      ARG  24  -1.038  10.753  -3.420
  211   HH21  ARG  24          1HH2      ARG  24  -0.070  10.220  -0.090
  212   HH22  ARG  24          2HH2      ARG  24   0.465  10.321  -1.736
  213    H    THR  25           H        THR  25  -6.340   7.452   1.560
  214    HA   THR  25           HA       THR  25  -9.025   8.506   1.092
  215    HB   THR  25           HB       THR  25  -7.854   5.806   0.358
  216    HG1  THR  25          1HG       THR  25  -7.981   8.281  -1.029
  217   HG21  THR  25          1HG2      THR  25 -10.319   5.831   0.433
  218   HG22  THR  25          2HG2      THR  25  -9.729   5.671  -1.220
  219   HG23  THR  25          3HG2      THR  25 -10.333   7.225  -0.650
  220    H    GLY  26           H        GLY  26 -10.604   8.160   2.550
  221    HA2  GLY  26          1HA       GLY  26 -10.127   6.633   4.924
  222    HA3  GLY  26          2HA       GLY  26 -11.620   7.448   4.488
  223    H    CYS  27           H        CYS  27  -9.691   4.624   3.518
  224    HA   CYS  27           HA       CYS  27 -11.943   2.854   3.742
  225    HB2  CYS  27          2HB       CYS  27 -10.796   3.554   1.023
  226    HB3  CYS  27          1HB       CYS  27 -11.712   2.081   1.324
  227    H    GLU  28           H        GLU  28 -10.928   0.706   2.292
  228    HA   GLU  28           HA       GLU  28  -8.401   0.214   3.730
  229    HB2  GLU  28          1HB       GLU  28 -10.347  -1.103   4.531
  230    HB3  GLU  28          2HB       GLU  28 -10.529  -1.785   2.922
  231    HG2  GLU  28          1HG       GLU  28  -8.249  -2.750   3.132
  232    HG3  GLU  28          2HG       GLU  28  -8.202  -2.169   4.796
  233    H    VAL  29           H        VAL  29  -6.923   0.664   2.220
  234    HA   VAL  29           HA       VAL  29  -6.912  -1.040  -0.182
  235    HB   VAL  29           HB       VAL  29  -7.122   1.285  -0.874
  236   HG11  VAL  29          1HG1      VAL  29  -6.217   2.377   1.116
  237   HG12  VAL  29          2HG1      VAL  29  -5.427   2.968  -0.345
  238   HG13  VAL  29          3HG1      VAL  29  -4.597   1.813   0.698
  239   HG21  VAL  29          1HG2      VAL  29  -5.766  -0.178  -2.272
  240   HG22  VAL  29          2HG2      VAL  29  -4.327   0.222  -1.335
  241   HG23  VAL  29          3HG2      VAL  29  -5.120   1.464  -2.301
  242    H    GLU  30           H        GLU  30  -5.349  -2.488  -0.206
  243    HA   GLU  30           HA       GLU  30  -3.071  -2.160   1.645
  244    HB2  GLU  30          1HB       GLU  30  -4.625  -4.003   2.239
  245    HB3  GLU  30          2HB       GLU  30  -4.352  -4.725   0.660
  246    HG2  GLU  30          1HG       GLU  30  -1.979  -5.024   1.217
  247    HG3  GLU  30          2HG       GLU  30  -2.270  -4.317   2.805
  248    H    VAL  31           H        VAL  31  -1.024  -2.765   0.922
  249    HA   VAL  31           HA       VAL  31  -0.763  -3.272  -1.970
  250    HB   VAL  31           HB       VAL  31   1.070  -1.550  -0.267
  251   HG11  VAL  31          1HG1      VAL  31   2.215  -1.028  -2.375
  252   HG12  VAL  31          2HG1      VAL  31   1.170  -2.167  -3.225
  253   HG13  VAL  31          3HG1      VAL  31   2.299  -2.751  -2.001
  254   HG21  VAL  31          1HG2      VAL  31  -0.850  -0.748  -2.461
  255   HG22  VAL  31          2HG2      VAL  31   0.276   0.328  -1.633
  256   HG23  VAL  31          3HG2      VAL  31  -1.046  -0.419  -0.738
  257    H    GLU  32           H        GLU  32   0.730  -4.791  -2.550
  258    HA   GLU  32           HA       GLU  32   2.107  -6.221  -0.368
  259    HB2  GLU  32          1HB       GLU  32   0.316  -7.499  -1.617
  260    HB3  GLU  32          2HB       GLU  32   1.292  -7.336  -3.071
  261    HG2  GLU  32          1HG       GLU  32   1.570  -9.522  -1.995
  262    HG3  GLU  32          2HG       GLU  32   3.080  -8.612  -2.066
  263    H    CYS  33           H        CYS  33   4.272  -6.959  -0.828
  264    HA   CYS  33           HA       CYS  33   5.581  -5.071  -2.684
  265    HB2  CYS  33          2HB       CYS  33   5.791  -4.750  -0.136
  266    HB3  CYS  33          1HB       CYS  33   6.855  -6.151  -0.175
  267    H    GLU  34           H        GLU  34   6.758  -5.886  -4.238
  268    HA   GLU  34           HA       GLU  34   7.872  -8.609  -3.995
  269    HB2  GLU  34          1HB       GLU  34   7.203  -7.044  -6.507
  270    HB3  GLU  34          2HB       GLU  34   7.873  -8.669  -6.460
  271    HG2  GLU  34          1HG       GLU  34   5.194  -7.924  -5.305
  272    HG3  GLU  34          2HG       GLU  34   5.428  -8.527  -6.943
  273    H    THR  35           H        THR  35   9.986  -8.899  -5.113
  274    HA   THR  35           HA       THR  35  11.648  -6.473  -4.904
  275    HB   THR  35           HB       THR  35  13.553  -8.267  -4.989
  276    HG1  THR  35          1HG       THR  35  12.120 -10.028  -5.472
  277   HG21  THR  35          1HG2      THR  35  11.775  -7.991  -2.559
  278   HG22  THR  35          2HG2      THR  35  13.078  -6.896  -3.021
  279   HG23  THR  35          3HG2      THR  35  13.444  -8.556  -2.549
  Start of MODEL    7
    1    H1   CYS   1          1H        CYS   1 -15.092  -0.859   1.591
    2    H2   CYS   1          2H        CYS   1 -15.774   0.606   1.108
    3    H3   CYS   1          3H        CYS   1 -14.537   0.590   2.258
    4    HA   CYS   1           HA       CYS   1 -14.309  -0.177  -0.584
    5    HB2  CYS   1          2HB       CYS   1 -14.459   2.232  -0.237
    6    HB3  CYS   1          1HB       CYS   1 -13.179   2.159   0.961
    7    H    LYS   2           H        LYS   2 -13.186  -1.998  -0.510
    8    HA   LYS   2           HA       LYS   2 -10.598  -2.007   0.914
    9    HB2  LYS   2          1HB       LYS   2 -12.493  -4.308   0.381
   10    HB3  LYS   2          2HB       LYS   2 -10.817  -4.543   0.852
   11    HG2  LYS   2          1HG       LYS   2 -11.228  -3.400   2.963
   12    HG3  LYS   2          2HG       LYS   2 -12.901  -3.097   2.486
   13    HD2  LYS   2          1HD       LYS   2 -12.781  -5.016   3.990
   14    HD3  LYS   2          2HD       LYS   2 -13.310  -5.522   2.385
   15    HE2  LYS   2          1HE       LYS   2 -11.728  -7.131   3.179
   16    HE3  LYS   2          2HE       LYS   2 -10.948  -6.202   1.901
   17    HZ1  LYS   2          1HZ       LYS   2 -10.553  -5.888   4.825
   18    HZ2  LYS   2          2HZ       LYS   2  -9.897  -4.846   3.676
   19    HZ3  LYS   2          3HZ       LYS   2  -9.427  -6.471   3.712
   20    H    GLN   3           H        GLN   3  -8.930  -1.961  -0.427
   21    HA   GLN   3           HA       GLN   3  -9.181  -3.230  -3.079
   22    HB2  GLN   3          1HB       GLN   3  -7.721  -0.658  -2.404
   23    HB3  GLN   3          2HB       GLN   3  -7.647  -1.475  -3.958
   24    HG2  GLN   3          1HG       GLN   3 -10.064  -1.115  -4.246
   25    HG3  GLN   3          2HG       GLN   3 -10.104  -0.257  -2.706
   26   HE21  GLN   3          1HE2      GLN   3  -9.739   2.049  -5.688
   27   HE22  GLN   3          2HE2      GLN   3 -10.749   0.668  -5.413
   28    H    ARG   4           H        ARG   4  -7.345  -4.312  -3.817
   29    HA   ARG   4           HA       ARG   4  -5.013  -4.322  -2.037
   30    HB2  ARG   4          1HB       ARG   4  -4.801  -6.709  -2.110
   31    HB3  ARG   4          2HB       ARG   4  -6.422  -6.325  -1.554
   32    HG2  ARG   4          1HG       ARG   4  -7.082  -6.648  -4.046
   33    HG3  ARG   4          2HG       ARG   4  -5.543  -7.504  -4.161
   34    HD2  ARG   4          1HD       ARG   4  -7.943  -8.170  -2.472
   35    HD3  ARG   4          2HD       ARG   4  -7.159  -9.160  -3.699
   36    HE   ARG   4           HE       ARG   4  -5.547  -8.517  -1.361
   37   HH11  ARG   4          1HH1      ARG   4  -7.598 -10.849  -2.977
   38   HH12  ARG   4          2HH1      ARG   4  -7.146 -12.157  -1.933
   39   HH21  ARG   4          1HH2      ARG   4  -4.949 -10.236   0.014
   40   HH22  ARG   4          2HH2      ARG   4  -5.639 -11.812  -0.232
   41    H    ARG   5           H        ARG   5  -3.091  -4.247  -3.093
   42    HA   ARG   5           HA       ARG   5  -3.210  -4.252  -6.038
   43    HB2  ARG   5          1HB       ARG   5  -1.893  -2.118  -4.339
   44    HB3  ARG   5          2HB       ARG   5  -1.906  -2.175  -6.098
   45    HG2  ARG   5          1HG       ARG   5  -4.367  -1.933  -6.063
   46    HG3  ARG   5          2HG       ARG   5  -4.313  -1.817  -4.305
   47    HD2  ARG   5          1HD       ARG   5  -2.858   0.190  -4.535
   48    HD3  ARG   5          2HD       ARG   5  -3.066   0.098  -6.284
   49    HE   ARG   5           HE       ARG   5  -5.505   0.226  -4.720
   50   HH11  ARG   5          1HH1      ARG   5  -3.123   2.006  -6.579
   51   HH12  ARG   5          2HH1      ARG   5  -4.153   3.381  -6.809
   52   HH21  ARG   5          1HH2      ARG   5  -6.867   2.025  -5.029
   53   HH22  ARG   5          2HH2      ARG   5  -6.298   3.388  -5.936
   54    H    ARG   6           H        ARG   6  -0.867  -3.821  -6.886
   55    HA   ARG   6           HA       ARG   6   1.057  -5.473  -5.427
   56    HB2  ARG   6          1HB       ARG   6   1.635  -6.663  -7.544
   57    HB3  ARG   6          2HB       ARG   6   0.027  -7.036  -6.952
   58    HG2  ARG   6          1HG       ARG   6   0.602  -5.074  -9.174
   59    HG3  ARG   6          2HG       ARG   6   0.180  -6.768  -9.422
   60    HD2  ARG   6          1HD       ARG   6  -1.939  -6.291  -8.102
   61    HD3  ARG   6          2HD       ARG   6  -1.529  -4.583  -8.225
   62    HE   ARG   6           HE       ARG   6  -2.314  -6.363 -10.424
   63   HH11  ARG   6          1HH1      ARG   6  -1.483  -3.123  -9.349
   64   HH12  ARG   6          2HH1      ARG   6  -2.224  -2.353 -10.712
   65   HH21  ARG   6          1HH2      ARG   6  -3.301  -5.344 -12.197
   66   HH22  ARG   6          2HH2      ARG   6  -3.262  -3.613 -12.333
   67    H    TYR   7           H        TYR   7   2.967  -4.533  -5.354
   68    HA   TYR   7           HA       TYR   7   3.689  -2.486  -7.338
   69    HB2  TYR   7          2HB       TYR   7   2.605  -1.332  -5.446
   70    HB3  TYR   7          1HB       TYR   7   3.682  -2.139  -4.320
   71    HD1  TYR   7          1HD       TYR   7   5.988  -1.402  -4.054
   72    HD2  TYR   7          2HD       TYR   7   3.386   0.541  -6.805
   73    HE1  TYR   7          1HE       TYR   7   7.547   0.491  -4.185
   74    HE2  TYR   7          2HE       TYR   7   4.944   2.437  -6.943
   75    HH   TYR   7           HH       TYR   7   6.746   3.446  -5.371
   76    H    ARG   8           H        ARG   8   5.929  -2.306  -7.662
   77    HA   ARG   8           HA       ARG   8   7.538  -4.246  -6.140
   78    HB2  ARG   8          1HB       ARG   8   9.039  -4.330  -8.177
   79    HB3  ARG   8          2HB       ARG   8   7.463  -5.079  -8.331
   80    HG2  ARG   8          1HG       ARG   8   7.633  -3.999 -10.336
   81    HG3  ARG   8          2HG       ARG   8   6.777  -2.788  -9.381
   82    HD2  ARG   8          1HD       ARG   8   8.822  -1.564  -9.019
   83    HD3  ARG   8          2HD       ARG   8   9.769  -2.830  -9.800
   84    HE   ARG   8           HE       ARG   8   7.784  -1.841 -11.561
   85   HH11  ARG   8          1HH1      ARG   8  10.878  -1.025 -10.154
   86   HH12  ARG   8          2HH1      ARG   8  11.339   0.026 -11.454
   87   HH21  ARG   8          1HH2      ARG   8   8.397  -0.467 -13.287
   88   HH22  ARG   8          2HH2      ARG   8   9.932   0.339 -13.236
   89    H    GLY   9           H        GLY   9   9.107  -3.540  -4.963
   90    HA2  GLY   9          1HA       GLY   9  10.966  -1.588  -5.331
   91    HA3  GLY   9          2HA       GLY   9   9.573  -0.720  -4.687
   92    H    SER  10           H        SER  10  11.519  -0.472  -3.040
   93    HA   SER  10           HA       SER  10  12.112  -2.639  -1.330
   94    HB2  SER  10          1HB       SER  10  12.294   0.324  -0.740
   95    HB3  SER  10          2HB       SER  10  13.117  -0.963   0.138
   96    HG   SER  10           HG       SER  10  14.419   0.120  -1.477
   97    H    GLU  11           H        GLU  11  11.444  -3.053   0.791
   98    HA   GLU  11           HA       GLU  11   8.693  -3.205   1.108
   99    HB2  GLU  11          1HB       GLU  11  10.812  -3.402   3.260
  100    HB3  GLU  11          2HB       GLU  11   9.150  -3.956   3.408
  101    HG2  GLU  11          1HG       GLU  11   9.552  -5.565   1.584
  102    HG3  GLU  11          2HG       GLU  11  11.236  -5.043   1.523
  103    H    GLU  12           H        GLU  12  10.996  -1.000   2.726
  104    HA   GLU  12           HA       GLU  12   9.177   0.205   4.450
  105    HB2  GLU  12          1HB       GLU  12  11.506   0.635   4.786
  106    HB3  GLU  12          2HB       GLU  12  11.671   1.347   3.183
  107    HG2  GLU  12          1HG       GLU  12  10.320   3.240   3.823
  108    HG3  GLU  12          2HG       GLU  12   9.961   2.506   5.383
  109    H    GLU  13           H        GLU  13  10.247   1.499   1.290
  110    HA   GLU  13           HA       GLU  13   8.453   3.655   1.295
  111    HB2  GLU  13          1HB       GLU  13   8.771   3.156  -1.409
  112    HB3  GLU  13          2HB       GLU  13   9.806   4.172  -0.423
  113    HG2  GLU  13          1HG       GLU  13  10.343   1.237  -0.717
  114    HG3  GLU  13          2HG       GLU  13  10.880   2.396  -1.932
  115    H    CYS  14           H        CYS  14   8.070   0.339   0.142
  116    HA   CYS  14           HA       CYS  14   5.548   0.711  -1.080
  117    HB2  CYS  14          2HB       CYS  14   6.982  -1.275  -1.428
  118    HB3  CYS  14          1HB       CYS  14   6.652  -1.787   0.221
  119    H    ARG  15           H        ARG  15   6.437  -0.179   2.249
  120    HA   ARG  15           HA       ARG  15   3.817  -0.490   3.242
  121    HB2  ARG  15          1HB       ARG  15   6.530  -0.115   4.407
  122    HB3  ARG  15          2HB       ARG  15   5.173   0.283   5.449
  123    HG2  ARG  15          1HG       ARG  15   5.976  -2.009   5.762
  124    HG3  ARG  15          2HG       ARG  15   4.294  -1.943   5.254
  125    HD2  ARG  15          1HD       ARG  15   4.900  -2.577   3.006
  126    HD3  ARG  15          2HD       ARG  15   6.617  -2.482   3.400
  127    HE   ARG  15           HE       ARG  15   5.653  -4.288   5.183
  128   HH11  ARG  15          1HH1      ARG  15   5.434  -4.070   1.686
  129   HH12  ARG  15          2HH1      ARG  15   5.432  -5.791   1.457
  130   HH21  ARG  15          1HH2      ARG  15   5.665  -6.539   4.871
  131   HH22  ARG  15          2HH2      ARG  15   5.556  -7.191   3.265
  132    H    LYS  16           H        LYS  16   6.037   2.284   3.263
  133    HA   LYS  16           HA       LYS  16   4.264   4.086   4.510
  134    HB2  LYS  16          1HB       LYS  16   6.759   4.389   2.876
  135    HB3  LYS  16          2HB       LYS  16   5.788   5.816   3.211
  136    HG2  LYS  16          1HG       LYS  16   7.579   5.607   4.828
  137    HG3  LYS  16          2HG       LYS  16   6.013   5.421   5.615
  138    HD2  LYS  16          1HD       LYS  16   6.319   2.963   5.570
  139    HD3  LYS  16          2HD       LYS  16   7.916   3.193   4.857
  140    HE2  LYS  16          1HE       LYS  16   7.030   4.231   7.553
  141    HE3  LYS  16          2HE       LYS  16   8.022   2.801   7.288
  142    HZ1  LYS  16          1HZ       LYS  16   9.748   4.194   6.354
  143    HZ2  LYS  16          2HZ       LYS  16   9.339   4.750   7.895
  144    HZ3  LYS  16          3HZ       LYS  16   8.783   5.574   6.528
  145    H    TYR  17           H        TYR  17   4.631   3.029   1.208
  146    HA   TYR  17           HA       TYR  17   2.960   4.920  -0.039
  147    HB2  TYR  17          2HB       TYR  17   4.338   3.433  -1.373
  148    HB3  TYR  17          1HB       TYR  17   3.525   2.019  -0.716
  149    HD1  TYR  17          1HD       TYR  17   1.740   1.075  -1.884
  150    HD2  TYR  17          2HD       TYR  17   2.849   5.101  -2.725
  151    HE1  TYR  17          1HE       TYR  17   0.157   1.113  -3.763
  152    HE2  TYR  17          2HE       TYR  17   1.265   5.147  -4.608
  153    HH   TYR  17           HH       TYR  17   0.135   3.598  -6.110
  154    H    ALA  18           H        ALA  18   2.252   1.679   1.291
  155    HA   ALA  18           HA       ALA  18  -0.529   1.723   0.992
  156    HB1  ALA  18          1HB       ALA  18   1.065   0.407   3.199
  157    HB2  ALA  18          2HB       ALA  18   0.757  -0.282   1.607
  158    HB3  ALA  18          3HB       ALA  18  -0.583   0.000   2.718
  159    H    GLU  19           H        GLU  19   1.508   2.895   3.628
  160    HA   GLU  19           HA       GLU  19  -0.457   3.597   5.475
  161    HB2  GLU  19          1HB       GLU  19   1.933   3.526   6.013
  162    HB3  GLU  19          2HB       GLU  19   2.236   4.887   4.941
  163    HG2  GLU  19          1HG       GLU  19   0.798   6.295   6.404
  164    HG3  GLU  19          2HG       GLU  19   0.639   4.925   7.502
  165    H    GLU  20           H        GLU  20   1.249   5.800   3.215
  166    HA   GLU  20           HA       GLU  20  -0.226   8.026   3.636
  167    HB2  GLU  20          1HB       GLU  20   2.012   7.728   2.550
  168    HB3  GLU  20          2HB       GLU  20   1.184   7.087   1.130
  169    HG2  GLU  20          1HG       GLU  20  -0.058   9.134   0.987
  170    HG3  GLU  20          2HG       GLU  20   0.861   9.779   2.331
  171    H    LEU  21           H        LEU  21  -0.642   5.366   1.363
  172    HA   LEU  21           HA       LEU  21  -2.660   6.479  -0.234
  173    HB2  LEU  21          1HB       LEU  21  -1.309   4.539  -0.879
  174    HB3  LEU  21          2HB       LEU  21  -2.035   3.587   0.400
  175    HG   LEU  21           HG       LEU  21  -4.186   3.617  -0.738
  176   HD11  LEU  21          1HD1      LEU  21  -2.816   5.305  -2.835
  177   HD12  LEU  21          2HD1      LEU  21  -4.075   5.843  -1.722
  178   HD13  LEU  21          3HD1      LEU  21  -4.444   4.634  -2.952
  179   HD21  LEU  21          1HD2      LEU  21  -1.963   2.901  -2.664
  180   HD22  LEU  21          2HD2      LEU  21  -3.605   2.259  -2.667
  181   HD23  LEU  21          3HD2      LEU  21  -2.515   1.885  -1.333
  182    H    SER  22           H        SER  22  -2.874   4.282   2.561
  183    HA   SER  22           HA       SER  22  -5.711   4.109   2.498
  184    HB2  SER  22          1HB       SER  22  -4.206   2.371   3.479
  185    HB3  SER  22          2HB       SER  22  -3.847   3.474   4.805
  186    HG   SER  22           HG       SER  22  -6.539   3.059   4.304
  187    H    ARG  23           H        ARG  23  -3.439   6.221   4.196
  188    HA   ARG  23           HA       ARG  23  -5.485   7.287   5.934
  189    HB2  ARG  23          1HB       ARG  23  -3.807   8.728   6.833
  190    HB3  ARG  23          2HB       ARG  23  -3.055   7.161   6.576
  191    HG2  ARG  23          1HG       ARG  23  -2.039   8.012   4.499
  192    HG3  ARG  23          2HG       ARG  23  -2.762   9.591   4.811
  193    HD2  ARG  23          1HD       ARG  23  -0.752   8.167   6.564
  194    HD3  ARG  23          2HD       ARG  23  -0.420   9.539   5.509
  195    HE   ARG  23           HE       ARG  23  -2.471  10.239   7.306
  196   HH11  ARG  23          1HH1      ARG  23   0.978   9.615   7.265
  197   HH12  ARG  23          2HH1      ARG  23   1.302  10.586   8.663
  198   HH21  ARG  23          1HH2      ARG  23  -2.041  11.530   9.151
  199   HH22  ARG  23          2HH2      ARG  23  -0.415  11.678   9.736
  200    H    ARG  24           H        ARG  24  -4.085   8.133   2.830
  201    HA   ARG  24           HA       ARG  24  -5.152  10.810   2.820
  202    HB2  ARG  24          1HB       ARG  24  -3.127  10.271   1.545
  203    HB3  ARG  24          2HB       ARG  24  -4.034   9.128   0.563
  204    HG2  ARG  24          1HG       ARG  24  -5.338  10.898  -0.404
  205    HG3  ARG  24          2HG       ARG  24  -4.622  12.080   0.692
  206    HD2  ARG  24          1HD       ARG  24  -3.612  12.252  -1.505
  207    HD3  ARG  24          2HD       ARG  24  -2.424  11.681  -0.333
  208    HE   ARG  24           HE       ARG  24  -3.819   9.893  -2.236
  209   HH11  ARG  24          1HH1      ARG  24  -0.951  10.857  -0.488
  210   HH12  ARG  24          2HH1      ARG  24   0.062   9.654  -1.224
  211   HH21  ARG  24          1HH2      ARG  24  -2.495   8.319  -3.229
  212   HH22  ARG  24          2HH2      ARG  24  -0.813   8.212  -2.793
  213    H    THR  25           H        THR  25  -5.897   7.842   0.985
  214    HA   THR  25           HA       THR  25  -8.486   8.957   0.213
  215    HB   THR  25           HB       THR  25  -7.223   6.297  -0.525
  216    HG1  THR  25          1HG       THR  25  -7.063   8.886  -1.625
  217   HG21  THR  25          1HG2      THR  25  -8.866   6.275  -2.350
  218   HG22  THR  25          2HG2      THR  25  -9.554   7.790  -1.763
  219   HG23  THR  25          3HG2      THR  25  -9.673   6.328  -0.783
  220    H    GLY  26           H        GLY  26 -10.350   8.409   1.208
  221    HA2  GLY  26          1HA       GLY  26 -10.386   6.901   3.598
  222    HA3  GLY  26          2HA       GLY  26 -11.796   7.465   2.710
  223    H    CYS  27           H        CYS  27  -9.315   4.948   2.702
  224    HA   CYS  27           HA       CYS  27 -11.293   2.911   2.192
  225    HB2  CYS  27          2HB       CYS  27  -9.113   3.530   0.182
  226    HB3  CYS  27          1HB       CYS  27  -9.935   1.976   0.250
  227    H    GLU  28           H        GLU  28 -10.200   0.734   2.147
  228    HA   GLU  28           HA       GLU  28  -7.764   0.705   3.813
  229    HB2  GLU  28          1HB       GLU  28  -9.633  -0.312   4.969
  230    HB3  GLU  28          2HB       GLU  28 -10.036  -1.282   3.559
  231    HG2  GLU  28          1HG       GLU  28  -7.921  -2.508   3.809
  232    HG3  GLU  28          2HG       GLU  28  -7.538  -1.538   5.229
  233    H    VAL  29           H        VAL  29  -5.980  -0.161   2.881
  234    HA   VAL  29           HA       VAL  29  -6.362  -1.635   0.363
  235    HB   VAL  29           HB       VAL  29  -5.736   0.669  -0.171
  236   HG11  VAL  29          1HG1      VAL  29  -3.541   1.572   0.456
  237   HG12  VAL  29          2HG1      VAL  29  -3.243   0.151   1.456
  238   HG13  VAL  29          3HG1      VAL  29  -4.550   1.263   1.868
  239   HG21  VAL  29          1HG2      VAL  29  -3.813   0.190  -1.610
  240   HG22  VAL  29          2HG2      VAL  29  -4.974  -1.136  -1.639
  241   HG23  VAL  29          3HG2      VAL  29  -3.489  -1.284  -0.701
  242    H    GLU  30           H        GLU  30  -5.249  -3.422   0.137
  243    HA   GLU  30           HA       GLU  30  -2.923  -3.938   1.876
  244    HB2  GLU  30          1HB       GLU  30  -4.683  -5.577   2.246
  245    HB3  GLU  30          2HB       GLU  30  -4.839  -5.861   0.516
  246    HG2  GLU  30          1HG       GLU  30  -2.511  -6.742   0.508
  247    HG3  GLU  30          2HG       GLU  30  -2.485  -6.572   2.264
  248    H    VAL  31           H        VAL  31  -1.127  -3.458   0.743
  249    HA   VAL  31           HA       VAL  31  -1.100  -4.125  -2.131
  250    HB   VAL  31           HB       VAL  31  -0.944  -1.705  -1.742
  251   HG11  VAL  31          1HG1      VAL  31   0.922  -0.681  -0.609
  252   HG12  VAL  31          2HG1      VAL  31   1.618  -2.263  -0.249
  253   HG13  VAL  31          3HG1      VAL  31   0.090  -1.781   0.489
  254   HG21  VAL  31          1HG2      VAL  31   1.028  -1.241  -3.079
  255   HG22  VAL  31          2HG2      VAL  31   0.221  -2.691  -3.670
  256   HG23  VAL  31          3HG2      VAL  31   1.690  -2.836  -2.705
  257    H    GLU  32           H        GLU  32   0.564  -5.324  -2.901
  258    HA   GLU  32           HA       GLU  32   2.277  -6.562  -0.837
  259    HB2  GLU  32          1HB       GLU  32   0.385  -7.893  -2.016
  260    HB3  GLU  32          2HB       GLU  32   1.437  -7.883  -3.421
  261    HG2  GLU  32          1HG       GLU  32   2.447  -8.884  -0.783
  262    HG3  GLU  32          2HG       GLU  32   1.439  -9.910  -1.795
  263    H    CYS  33           H        CYS  33   4.456  -6.870  -1.318
  264    HA   CYS  33           HA       CYS  33   5.351  -4.980  -3.398
  265    HB2  CYS  33          2HB       CYS  33   6.849  -5.481  -0.838
  266    HB3  CYS  33          1HB       CYS  33   6.886  -4.065  -1.887
  267    H    GLU  34           H        GLU  34   6.559  -5.823  -4.915
  268    HA   GLU  34           HA       GLU  34   8.224  -8.190  -4.345
  269    HB2  GLU  34          1HB       GLU  34   7.143  -7.255  -7.024
  270    HB3  GLU  34          2HB       GLU  34   8.045  -8.736  -6.724
  271    HG2  GLU  34          1HG       GLU  34   6.218  -9.552  -5.306
  272    HG3  GLU  34          2HG       GLU  34   5.309  -8.080  -5.640
  273    H    THR  35           H        THR  35  10.157  -8.237  -5.990
  274    HA   THR  35           HA       THR  35  11.255  -5.540  -6.365
  275    HB   THR  35           HB       THR  35  13.505  -6.520  -5.526
  276    HG1  THR  35          1HG       THR  35  11.636  -8.429  -4.587
  277   HG21  THR  35          1HG2      THR  35  11.298  -5.984  -3.525
  278   HG22  THR  35          2HG2      THR  35  12.267  -4.755  -4.342
  279   HG23  THR  35          3HG2      THR  35  13.031  -5.876  -3.215
  Start of MODEL    8
    1    H1   CYS   1          1H        CYS   1 -15.409  -0.823   1.392
    2    H2   CYS   1          2H        CYS   1 -16.203   0.378   0.503
    3    H3   CYS   1          3H        CYS   1 -14.842   0.769   1.427
    4    HA   CYS   1           HA       CYS   1 -14.889  -0.991  -0.951
    5    HB2  CYS   1          2HB       CYS   1 -13.279   0.963  -1.722
    6    HB3  CYS   1          1HB       CYS   1 -15.023   1.134  -1.864
    7    H    LYS   2           H        LYS   2 -13.347  -2.494  -0.907
    8    HA   LYS   2           HA       LYS   2 -10.871  -1.967   0.620
    9    HB2  LYS   2          1HB       LYS   2 -12.314  -4.616   0.300
   10    HB3  LYS   2          2HB       LYS   2 -10.756  -4.397   1.087
   11    HG2  LYS   2          1HG       LYS   2 -11.856  -2.929   2.757
   12    HG3  LYS   2          2HG       LYS   2 -13.407  -3.291   1.997
   13    HD2  LYS   2          1HD       LYS   2 -13.078  -5.680   2.478
   14    HD3  LYS   2          2HD       LYS   2 -11.535  -5.308   3.251
   15    HE2  LYS   2          1HE       LYS   2 -12.720  -3.921   4.907
   16    HE3  LYS   2          2HE       LYS   2 -14.256  -4.331   4.139
   17    HZ1  LYS   2          1HZ       LYS   2 -12.384  -6.256   5.413
   18    HZ2  LYS   2          2HZ       LYS   2 -13.854  -6.654   4.681
   19    HZ3  LYS   2          3HZ       LYS   2 -13.836  -5.700   6.079
   20    H    GLN   3           H        GLN   3  -8.942  -2.699  -0.307
   21    HA   GLN   3           HA       GLN   3  -8.949  -4.187  -2.774
   22    HB2  GLN   3          1HB       GLN   3  -9.518  -1.928  -3.591
   23    HB3  GLN   3          2HB       GLN   3  -8.078  -1.283  -2.817
   24    HG2  GLN   3          1HG       GLN   3  -6.668  -2.628  -4.290
   25    HG3  GLN   3          2HG       GLN   3  -8.102  -3.315  -5.047
   26   HE21  GLN   3          1HE2      GLN   3  -8.727  -0.572  -7.113
   27   HE22  GLN   3          2HE2      GLN   3  -9.316  -2.055  -6.449
   28    H    ARG   4           H        ARG   4  -6.916  -4.951  -3.342
   29    HA   ARG   4           HA       ARG   4  -4.669  -4.138  -1.613
   30    HB2  ARG   4          1HB       ARG   4  -3.753  -6.400  -1.775
   31    HB3  ARG   4          2HB       ARG   4  -5.353  -6.430  -1.046
   32    HG2  ARG   4          1HG       ARG   4  -6.339  -7.303  -3.027
   33    HG3  ARG   4          2HG       ARG   4  -4.869  -7.016  -3.963
   34    HD2  ARG   4          1HD       ARG   4  -3.683  -8.680  -2.611
   35    HD3  ARG   4          2HD       ARG   4  -5.142  -8.954  -1.659
   36    HE   ARG   4           HE       ARG   4  -6.176  -9.699  -3.821
   37   HH11  ARG   4          1HH1      ARG   4  -2.702  -9.861  -3.364
   38   HH12  ARG   4          2HH1      ARG   4  -2.514 -11.249  -4.390
   39   HH21  ARG   4          1HH2      ARG   4  -5.913 -11.520  -5.180
   40   HH22  ARG   4          2HH2      ARG   4  -4.324 -12.177  -5.430
   41    H    ARG   5           H        ARG   5  -2.998  -3.337  -2.663
   42    HA   ARG   5           HA       ARG   5  -2.793  -3.766  -5.568
   43    HB2  ARG   5          1HB       ARG   5  -1.682  -1.432  -4.020
   44    HB3  ARG   5          2HB       ARG   5  -1.785  -1.611  -5.769
   45    HG2  ARG   5          1HG       ARG   5  -4.326  -1.736  -5.419
   46    HG3  ARG   5          2HG       ARG   5  -3.995  -1.110  -3.803
   47    HD2  ARG   5          1HD       ARG   5  -4.312   0.859  -4.900
   48    HD3  ARG   5          2HD       ARG   5  -2.584   0.653  -5.172
   49    HE   ARG   5           HE       ARG   5  -4.276  -0.469  -7.228
   50   HH11  ARG   5          1HH1      ARG   5  -2.442   2.332  -6.186
   51   HH12  ARG   5          2HH1      ARG   5  -2.426   3.055  -7.763
   52   HH21  ARG   5          1HH2      ARG   5  -4.246   0.483  -9.294
   53   HH22  ARG   5          2HH2      ARG   5  -3.444   2.005  -9.530
   54    H    ARG   6           H        ARG   6  -0.365  -3.399  -6.271
   55    HA   ARG   6           HA       ARG   6   1.490  -4.275  -4.216
   56    HB2  ARG   6          1HB       ARG   6   2.464  -5.998  -5.814
   57    HB3  ARG   6          2HB       ARG   6   0.951  -6.406  -5.024
   58    HG2  ARG   6          1HG       ARG   6  -0.270  -5.803  -7.077
   59    HG3  ARG   6          2HG       ARG   6   1.272  -5.453  -7.866
   60    HD2  ARG   6          1HD       ARG   6   0.349  -7.733  -8.361
   61    HD3  ARG   6          2HD       ARG   6   1.974  -7.733  -7.673
   62    HE   ARG   6           HE       ARG   6  -0.089  -7.997  -5.689
   63   HH11  ARG   6          1HH1      ARG   6   1.810  -9.799  -8.025
   64   HH12  ARG   6          2HH1      ARG   6   1.723 -11.282  -7.131
   65   HH21  ARG   6          1HH2      ARG   6  -0.210  -9.948  -4.533
   66   HH22  ARG   6          2HH2      ARG   6   0.576 -11.370  -5.157
   67    H    TYR   7           H        TYR   7   3.370  -3.389  -4.340
   68    HA   TYR   7           HA       TYR   7   4.046  -1.726  -6.686
   69    HB2  TYR   7          2HB       TYR   7   3.472  -0.515  -4.550
   70    HB3  TYR   7          1HB       TYR   7   4.818  -1.335  -3.771
   71    HD1  TYR   7          1HD       TYR   7   7.073  -0.551  -4.067
   72    HD2  TYR   7          2HD       TYR   7   3.894   1.161  -6.321
   73    HE1  TYR   7          1HE       TYR   7   8.556   1.289  -4.751
   74    HE2  TYR   7          2HE       TYR   7   5.369   3.002  -7.016
   75    HH   TYR   7           HH       TYR   7   7.402   4.133  -6.211
   76    H    ARG   8           H        ARG   8   6.367  -1.639  -7.198
   77    HA   ARG   8           HA       ARG   8   7.790  -4.027  -6.193
   78    HB2  ARG   8          1HB       ARG   8   8.073  -2.661  -8.879
   79    HB3  ARG   8          2HB       ARG   8   9.057  -4.008  -8.323
   80    HG2  ARG   8          1HG       ARG   8   6.879  -5.307  -8.092
   81    HG3  ARG   8          2HG       ARG   8   6.131  -4.003  -9.016
   82    HD2  ARG   8          1HD       ARG   8   8.386  -5.810  -9.890
   83    HD3  ARG   8          2HD       ARG   8   6.745  -5.768 -10.533
   84    HE   ARG   8           HE       ARG   8   7.320  -3.441 -11.293
   85   HH11  ARG   8          1HH1      ARG   8   9.821  -5.872 -10.852
   86   HH12  ARG   8          2HH1      ARG   8  10.886  -5.155 -12.019
   87   HH21  ARG   8          1HH2      ARG   8   8.737  -2.487 -12.786
   88   HH22  ARG   8          2HH2      ARG   8  10.278  -3.220 -13.107
   89    H    GLY   9           H        GLY   9   9.510  -3.677  -5.007
   90    HA2  GLY   9          1HA       GLY   9  11.676  -2.120  -5.368
   91    HA3  GLY   9          2HA       GLY   9  10.528  -0.967  -4.698
   92    H    SER  10           H        SER  10  11.951  -0.751  -2.869
   93    HA   SER  10           HA       SER  10  12.520  -2.937  -1.139
   94    HB2  SER  10          1HB       SER  10  12.421   0.026  -0.479
   95    HB3  SER  10          2HB       SER  10  13.243  -1.229   0.453
   96    HG   SER  10           HG       SER  10  13.965  -0.028  -1.959
   97    H    GLU  11           H        GLU  11  11.405  -3.716   0.592
   98    HA   GLU  11           HA       GLU  11   8.666  -3.671   0.692
   99    HB2  GLU  11          1HB       GLU  11   8.824  -4.711   2.882
  100    HB3  GLU  11          2HB       GLU  11  10.056  -5.366   1.817
  101    HG2  GLU  11          1HG       GLU  11  10.499  -3.296   3.968
  102    HG3  GLU  11          2HG       GLU  11  10.898  -5.007   4.080
  103    H    GLU  12           H        GLU  12  10.936  -1.563   2.326
  104    HA   GLU  12           HA       GLU  12   9.173  -0.231   4.049
  105    HB2  GLU  12          1HB       GLU  12  11.643  -0.089   4.173
  106    HB3  GLU  12          2HB       GLU  12  11.653   0.841   2.679
  107    HG2  GLU  12          1HG       GLU  12  10.420   2.637   3.765
  108    HG3  GLU  12          2HG       GLU  12  10.345   1.700   5.258
  109    H    GLU  13           H        GLU  13  10.228   0.566   0.746
  110    HA   GLU  13           HA       GLU  13   8.731   2.927   0.445
  111    HB2  GLU  13          1HB       GLU  13   9.617   0.950  -1.684
  112    HB3  GLU  13          2HB       GLU  13   9.068   2.595  -1.986
  113    HG2  GLU  13          1HG       GLU  13  11.531   1.798  -0.441
  114    HG3  GLU  13          2HG       GLU  13  11.487   2.451  -2.079
  115    H    CYS  14           H        CYS  14   7.997  -0.440  -0.315
  116    HA   CYS  14           HA       CYS  14   5.504  -0.100  -1.516
  117    HB2  CYS  14          2HB       CYS  14   6.489  -2.379   0.227
  118    HB3  CYS  14          1HB       CYS  14   5.097  -2.455  -0.855
  119    H    ARG  15           H        ARG  15   6.349  -0.527   1.917
  120    HA   ARG  15           HA       ARG  15   3.618  -0.367   2.769
  121    HB2  ARG  15          1HB       ARG  15   6.245  -0.485   4.232
  122    HB3  ARG  15          2HB       ARG  15   4.750  -0.138   5.097
  123    HG2  ARG  15          1HG       ARG  15   5.247  -2.591   3.406
  124    HG3  ARG  15          2HG       ARG  15   5.338  -2.526   5.169
  125    HD2  ARG  15          1HD       ARG  15   3.004  -2.035   5.349
  126    HD3  ARG  15          2HD       ARG  15   2.862  -1.778   3.612
  127    HE   ARG  15           HE       ARG  15   3.696  -4.364   3.838
  128   HH11  ARG  15          1HH1      ARG  15   1.015  -2.555   5.185
  129   HH12  ARG  15          2HH1      ARG  15  -0.057  -3.918   5.205
  130   HH21  ARG  15          1HH2      ARG  15   2.274  -6.144   3.817
  131   HH22  ARG  15          2HH2      ARG  15   0.644  -5.951   4.392
  132    H    LYS  16           H        LYS  16   6.191   1.967   2.310
  133    HA   LYS  16           HA       LYS  16   5.039   4.125   3.707
  134    HB2  LYS  16          1HB       LYS  16   6.753   4.033   1.216
  135    HB3  LYS  16          2HB       LYS  16   6.196   5.550   1.907
  136    HG2  LYS  16          1HG       LYS  16   7.369   5.037   3.993
  137    HG3  LYS  16          2HG       LYS  16   7.918   3.507   3.307
  138    HD2  LYS  16          1HD       LYS  16   9.186   4.674   1.607
  139    HD3  LYS  16          2HD       LYS  16   8.553   6.227   2.152
  140    HE2  LYS  16          1HE       LYS  16   9.713   6.006   4.266
  141    HE3  LYS  16          2HE       LYS  16  10.252   4.382   3.839
  142    HZ1  LYS  16          1HZ       LYS  16  10.992   6.845   2.355
  143    HZ2  LYS  16          2HZ       LYS  16  11.584   5.286   2.078
  144    HZ3  LYS  16          3HZ       LYS  16  11.968   6.094   3.515
  145    H    TYR  17           H        TYR  17   4.726   3.131   0.318
  146    HA   TYR  17           HA       TYR  17   2.727   4.925  -0.454
  147    HB2  TYR  17          2HB       TYR  17   3.956   3.632  -2.094
  148    HB3  TYR  17          1HB       TYR  17   3.339   2.123  -1.432
  149    HD1  TYR  17          1HD       TYR  17   1.744   1.088  -2.740
  150    HD2  TYR  17          2HD       TYR  17   1.868   5.345  -2.689
  151    HE1  TYR  17          1HE       TYR  17  -0.131   1.157  -4.331
  152    HE2  TYR  17          2HE       TYR  17  -0.007   5.424  -4.276
  153    HH   TYR  17           HH       TYR  17  -1.087   4.055  -5.923
  154    H    ALA  18           H        ALA  18   2.487   1.673   0.957
  155    HA   ALA  18           HA       ALA  18  -0.279   1.356   0.928
  156    HB1  ALA  18          1HB       ALA  18   1.623   0.411   3.076
  157    HB2  ALA  18          2HB       ALA  18   1.305  -0.417   1.553
  158    HB3  ALA  18          3HB       ALA  18   0.017  -0.236   2.743
  159    H    GLU  19           H        GLU  19   1.713   2.701   3.575
  160    HA   GLU  19           HA       GLU  19  -0.355   3.337   5.332
  161    HB2  GLU  19          1HB       GLU  19   2.316   4.708   4.936
  162    HB3  GLU  19          2HB       GLU  19   1.248   5.007   6.299
  163    HG2  GLU  19          1HG       GLU  19   2.559   2.376   5.619
  164    HG3  GLU  19          2HG       GLU  19   3.061   3.491   6.889
  165    H    GLU  20           H        GLU  20   1.289   5.439   2.995
  166    HA   GLU  20           HA       GLU  20  -0.107   7.787   3.512
  167    HB2  GLU  20          1HB       GLU  20   1.158   6.828   0.929
  168    HB3  GLU  20          2HB       GLU  20   0.620   8.478   1.216
  169    HG2  GLU  20          1HG       GLU  20   2.227   8.694   3.047
  170    HG3  GLU  20          2HG       GLU  20   2.760   7.036   2.777
  171    H    LEU  21           H        LEU  21  -0.734   5.370   0.970
  172    HA   LEU  21           HA       LEU  21  -2.981   6.665  -0.125
  173    HB2  LEU  21          1HB       LEU  21  -1.641   4.907  -1.264
  174    HB3  LEU  21          2HB       LEU  21  -2.314   3.715  -0.167
  175    HG   LEU  21           HG       LEU  21  -4.576   4.194  -1.068
  176   HD11  LEU  21          1HD1      LEU  21  -4.213   6.493  -1.792
  177   HD12  LEU  21          2HD1      LEU  21  -4.804   5.501  -3.124
  178   HD13  LEU  21          3HD1      LEU  21  -3.097   5.941  -3.041
  179   HD21  LEU  21          1HD2      LEU  21  -3.271   2.341  -1.971
  180   HD22  LEU  21          2HD2      LEU  21  -2.528   3.422  -3.151
  181   HD23  LEU  21          3HD2      LEU  21  -4.258   3.086  -3.227
  182    H    SER  22           H        SER  22  -2.682   4.140   2.348
  183    HA   SER  22           HA       SER  22  -5.438   3.577   2.578
  184    HB2  SER  22          1HB       SER  22  -3.670   2.064   3.418
  185    HB3  SER  22          2HB       SER  22  -3.271   3.236   4.673
  186    HG   SER  22           HG       SER  22  -5.858   2.826   4.858
  187    H    ARG  23           H        ARG  23  -3.360   5.930   4.261
  188    HA   ARG  23           HA       ARG  23  -5.540   6.722   5.990
  189    HB2  ARG  23          1HB       ARG  23  -4.003   8.376   6.926
  190    HB3  ARG  23          2HB       ARG  23  -3.271   6.784   6.875
  191    HG2  ARG  23          1HG       ARG  23  -1.545   8.187   6.235
  192    HG3  ARG  23          2HG       ARG  23  -2.160   7.591   4.695
  193    HD2  ARG  23          1HD       ARG  23  -1.647  10.062   4.799
  194    HD3  ARG  23          2HD       ARG  23  -3.263   9.640   4.235
  195    HE   ARG  23           HE       ARG  23  -4.170  10.521   6.178
  196   HH11  ARG  23          1HH1      ARG  23  -0.667  10.569   6.380
  197   HH12  ARG  23          2HH1      ARG  23  -0.645  11.683   7.709
  198   HH21  ARG  23          1HH2      ARG  23  -4.122  11.982   7.923
  199   HH22  ARG  23          2HH2      ARG  23  -2.594  12.484   8.578
  200    H    ARG  24           H        ARG  24  -4.276   7.708   2.919
  201    HA   ARG  24           HA       ARG  24  -5.410  10.336   2.945
  202    HB2  ARG  24          1HB       ARG  24  -3.535   9.806   1.469
  203    HB3  ARG  24          2HB       ARG  24  -4.511   8.610   0.622
  204    HG2  ARG  24          1HG       ARG  24  -5.993  10.366  -0.194
  205    HG3  ARG  24          2HG       ARG  24  -5.074  11.578   0.699
  206    HD2  ARG  24          1HD       ARG  24  -4.002   9.848  -1.534
  207    HD3  ARG  24          2HD       ARG  24  -4.488  11.535  -1.691
  208    HE   ARG  24           HE       ARG  24  -2.028  10.530  -0.629
  209   HH11  ARG  24          1HH1      ARG  24  -4.274  13.204  -0.433
  210   HH12  ARG  24          2HH1      ARG  24  -3.069  14.348   0.054
  211   HH21  ARG  24          1HH2      ARG  24  -0.427  12.054  -0.022
  212   HH22  ARG  24          2HH2      ARG  24  -0.888  13.703   0.279
  213    H    THR  25           H        THR  25  -6.433   7.201   1.642
  214    HA   THR  25           HA       THR  25  -8.824   8.321   0.461
  215    HB   THR  25           HB       THR  25  -9.307   5.998  -0.229
  216    HG1  THR  25          1HG       THR  25  -6.824   5.205   0.881
  217   HG21  THR  25          1HG2      THR  25  -7.859   7.351  -1.660
  218   HG22  THR  25          2HG2      THR  25  -7.342   5.663  -1.680
  219   HG23  THR  25          3HG2      THR  25  -6.445   6.849  -0.731
  220    H    GLY  26           H        GLY  26 -10.968   7.281   0.904
  221    HA2  GLY  26          1HA       GLY  26 -11.380   6.907   3.795
  222    HA3  GLY  26          2HA       GLY  26 -12.626   7.252   2.601
  223    H    CYS  27           H        CYS  27 -10.333   4.934   1.678
  224    HA   CYS  27           HA       CYS  27 -12.288   2.770   2.092
  225    HB2  CYS  27          2HB       CYS  27 -10.190   3.142  -0.066
  226    HB3  CYS  27          1HB       CYS  27 -11.170   1.691   0.123
  227    H    GLU  28           H        GLU  28 -11.017   0.565   1.877
  228    HA   GLU  28           HA       GLU  28  -8.706   0.655   3.701
  229    HB2  GLU  28          1HB       GLU  28 -10.657  -0.483   4.678
  230    HB3  GLU  28          2HB       GLU  28 -10.752  -1.547   3.282
  231    HG2  GLU  28          1HG       GLU  28  -8.589  -2.512   3.850
  232    HG3  GLU  28          2HG       GLU  28  -8.458  -1.430   5.236
  233    H    VAL  29           H        VAL  29  -7.029   0.667   2.321
  234    HA   VAL  29           HA       VAL  29  -6.883  -1.485   0.320
  235    HB   VAL  29           HB       VAL  29  -7.276   0.577  -0.885
  236   HG11  VAL  29          1HG1      VAL  29  -4.883   1.707   0.572
  237   HG12  VAL  29          2HG1      VAL  29  -6.566   2.198   0.771
  238   HG13  VAL  29          3HG1      VAL  29  -5.738   2.489  -0.758
  239   HG21  VAL  29          1HG2      VAL  29  -5.259   0.655  -2.305
  240   HG22  VAL  29          2HG2      VAL  29  -5.754  -0.998  -1.935
  241   HG23  VAL  29          3HG2      VAL  29  -4.382  -0.277  -1.091
  242    H    GLU  30           H        GLU  30  -5.174  -2.755   0.511
  243    HA   GLU  30           HA       GLU  30  -2.841  -1.736   2.018
  244    HB2  GLU  30          1HB       GLU  30  -4.154  -3.616   3.129
  245    HB3  GLU  30          2HB       GLU  30  -3.630  -4.654   1.809
  246    HG2  GLU  30          1HG       GLU  30  -1.290  -4.239   2.416
  247    HG3  GLU  30          2HG       GLU  30  -1.818  -3.205   3.739
  248    H    VAL  31           H        VAL  31  -0.755  -2.740   1.328
  249    HA   VAL  31           HA       VAL  31  -0.773  -3.268  -1.570
  250    HB   VAL  31           HB       VAL  31   1.247  -1.587  -0.051
  251   HG11  VAL  31          1HG1      VAL  31   1.081  -2.227  -3.001
  252   HG12  VAL  31          2HG1      VAL  31   2.311  -2.805  -1.877
  253   HG13  VAL  31          3HG1      VAL  31   2.203  -1.087  -2.262
  254   HG21  VAL  31          1HG2      VAL  31   0.368   0.284  -1.407
  255   HG22  VAL  31          2HG2      VAL  31  -0.847  -0.396  -0.324
  256   HG23  VAL  31          3HG2      VAL  31  -0.881  -0.789  -2.043
  257    H    GLU  32           H        GLU  32   0.807  -4.645  -2.350
  258    HA   GLU  32           HA       GLU  32   2.274  -6.263  -0.373
  259    HB2  GLU  32          1HB       GLU  32   1.453  -7.018  -3.200
  260    HB3  GLU  32          2HB       GLU  32   2.167  -8.077  -1.993
  261    HG2  GLU  32          1HG       GLU  32   0.152  -7.810  -0.598
  262    HG3  GLU  32          2HG       GLU  32  -0.561  -6.810  -1.861
  263    H    CYS  33           H        CYS  33   4.465  -6.957  -1.112
  264    HA   CYS  33           HA       CYS  33   5.646  -4.791  -2.733
  265    HB2  CYS  33          2HB       CYS  33   6.082  -4.814  -0.202
  266    HB3  CYS  33          1HB       CYS  33   7.102  -6.218  -0.512
  267    H    GLU  34           H        GLU  34   6.387  -5.487  -4.569
  268    HA   GLU  34           HA       GLU  34   7.436  -8.226  -4.842
  269    HB2  GLU  34          1HB       GLU  34   6.174  -6.412  -6.924
  270    HB3  GLU  34          2HB       GLU  34   6.792  -8.028  -7.232
  271    HG2  GLU  34          1HG       GLU  34   4.534  -7.420  -5.331
  272    HG3  GLU  34          2HG       GLU  34   4.312  -7.865  -7.022
  273    H    THR  35           H        THR  35   8.906  -8.296  -6.884
  274    HA   THR  35           HA       THR  35  10.293  -5.899  -7.600
  275    HB   THR  35           HB       THR  35  11.596  -6.289  -5.627
  276    HG1  THR  35          1HG       THR  35  13.345  -5.920  -6.733
  277   HG21  THR  35          1HG2      THR  35  11.056  -8.615  -5.156
  278   HG22  THR  35          2HG2      THR  35  12.806  -8.395  -5.194
  279   HG23  THR  35          3HG2      THR  35  11.983  -9.139  -6.564
  Start of MODEL    9
    1    H1   CYS   1          1H        CYS   1 -16.606   0.143   0.735
    2    H2   CYS   1          2H        CYS   1 -15.480   0.012   1.991
    3    H3   CYS   1          3H        CYS   1 -15.861  -1.340   1.053
    4    HA   CYS   1           HA       CYS   1 -14.886  -0.371  -0.882
    5    HB2  CYS   1          2HB       CYS   1 -15.417   1.972  -0.361
    6    HB3  CYS   1          1HB       CYS   1 -14.253   1.955   0.958
    7    H    LYS   2           H        LYS   2 -13.319  -1.849  -1.012
    8    HA   LYS   2           HA       LYS   2 -10.952  -1.541   0.692
    9    HB2  LYS   2          1HB       LYS   2 -10.781  -3.941   1.091
   10    HB3  LYS   2          2HB       LYS   2 -12.297  -3.324   1.732
   11    HG2  LYS   2          1HG       LYS   2 -13.446  -4.181  -0.295
   12    HG3  LYS   2          2HG       LYS   2 -11.919  -4.885  -0.823
   13    HD2  LYS   2          1HD       LYS   2 -13.295  -5.555   1.790
   14    HD3  LYS   2          2HD       LYS   2 -13.459  -6.497   0.310
   15    HE2  LYS   2          1HE       LYS   2 -11.833  -7.589   1.665
   16    HE3  LYS   2          2HE       LYS   2 -10.969  -6.819   0.339
   17    HZ1  LYS   2          1HZ       LYS   2 -11.247  -5.570   3.011
   18    HZ2  LYS   2          2HZ       LYS   2 -10.185  -5.133   1.770
   19    HZ3  LYS   2          3HZ       LYS   2  -9.960  -6.584   2.606
   20    H    GLN   3           H        GLN   3  -9.028  -1.967  -0.375
   21    HA   GLN   3           HA       GLN   3  -9.227  -2.776  -3.207
   22    HB2  GLN   3          1HB       GLN   3  -9.079  -0.343  -3.114
   23    HB3  GLN   3          2HB       GLN   3  -7.692  -0.433  -2.040
   24    HG2  GLN   3          1HG       GLN   3  -7.006   0.150  -4.289
   25    HG3  GLN   3          2HG       GLN   3  -6.361  -1.426  -3.835
   26   HE21  GLN   3          1HE2      GLN   3  -8.955  -1.035  -6.929
   27   HE22  GLN   3          2HE2      GLN   3  -8.604   0.279  -5.862
   28    H    ARG   4           H        ARG   4  -7.328  -3.774  -4.059
   29    HA   ARG   4           HA       ARG   4  -5.097  -4.153  -2.210
   30    HB2  ARG   4          1HB       ARG   4  -4.852  -6.536  -3.091
   31    HB3  ARG   4          2HB       ARG   4  -6.132  -6.242  -1.932
   32    HG2  ARG   4          1HG       ARG   4  -7.168  -7.619  -3.465
   33    HG3  ARG   4          2HG       ARG   4  -7.656  -6.022  -4.026
   34    HD2  ARG   4          1HD       ARG   4  -6.967  -7.561  -5.852
   35    HD3  ARG   4          2HD       ARG   4  -6.020  -6.081  -5.789
   36    HE   ARG   4           HE       ARG   4  -4.227  -7.396  -4.755
   37   HH11  ARG   4          1HH1      ARG   4  -6.750  -9.148  -6.436
   38   HH12  ARG   4          2HH1      ARG   4  -5.750 -10.526  -6.757
   39   HH21  ARG   4          1HH2      ARG   4  -2.896  -9.193  -5.214
   40   HH22  ARG   4          2HH2      ARG   4  -3.564 -10.557  -6.059
   41    H    ARG   5           H        ARG   5  -3.302  -3.452  -3.101
   42    HA   ARG   5           HA       ARG   5  -3.044  -3.459  -6.051
   43    HB2  ARG   5          1HB       ARG   5  -1.994  -1.414  -4.069
   44    HB3  ARG   5          2HB       ARG   5  -1.629  -1.416  -5.786
   45    HG2  ARG   5          1HG       ARG   5  -4.407  -1.133  -4.647
   46    HG3  ARG   5          2HG       ARG   5  -3.369   0.222  -5.084
   47    HD2  ARG   5          1HD       ARG   5  -4.831  -0.110  -6.916
   48    HD3  ARG   5          2HD       ARG   5  -3.271  -0.759  -7.413
   49    HE   ARG   5           HE       ARG   5  -4.900  -2.792  -6.293
   50   HH11  ARG   5          1HH1      ARG   5  -4.533  -0.881  -9.197
   51   HH12  ARG   5          2HH1      ARG   5  -5.268  -2.071 -10.224
   52   HH21  ARG   5          1HH2      ARG   5  -5.859  -4.366  -7.640
   53   HH22  ARG   5          2HH2      ARG   5  -5.991  -4.060  -9.345
   54    H    ARG   6           H        ARG   6  -0.601  -3.170  -6.627
   55    HA   ARG   6           HA       ARG   6   1.131  -4.552  -4.726
   56    HB2  ARG   6          1HB       ARG   6   2.098  -5.816  -6.768
   57    HB3  ARG   6          2HB       ARG   6   0.622  -6.402  -6.017
   58    HG2  ARG   6          1HG       ARG   6  -0.683  -5.263  -7.792
   59    HG3  ARG   6          2HG       ARG   6   0.837  -4.811  -8.571
   60    HD2  ARG   6          1HD       ARG   6  -0.245  -6.870  -9.511
   61    HD3  ARG   6          2HD       ARG   6   1.414  -7.097  -8.955
   62    HE   ARG   6           HE       ARG   6  -0.551  -7.736  -6.948
   63   HH11  ARG   6          1HH1      ARG   6   1.181  -8.998  -9.724
   64   HH12  ARG   6          2HH1      ARG   6   1.045 -10.653  -9.213
   65   HH21  ARG   6          1HH2      ARG   6  -0.701  -9.896  -6.263
   66   HH22  ARG   6          2HH2      ARG   6  -0.014 -11.161  -7.237
   67    H    TYR   7           H        TYR   7   3.423  -4.301  -5.188
   68    HA   TYR   7           HA       TYR   7   4.052  -1.813  -6.598
   69    HB2  TYR   7          2HB       TYR   7   3.310  -1.369  -4.195
   70    HB3  TYR   7          1HB       TYR   7   4.752  -2.233  -3.679
   71    HD1  TYR   7          1HD       TYR   7   6.871  -1.139  -3.641
   72    HD2  TYR   7          2HD       TYR   7   3.544   0.742  -5.517
   73    HE1  TYR   7          1HE       TYR   7   8.146   0.950  -3.799
   74    HE2  TYR   7          2HE       TYR   7   4.820   2.841  -5.688
   75    HH   TYR   7           HH       TYR   7   8.189   2.985  -5.070
   76    H    ARG   8           H        ARG   8   6.401  -1.393  -6.626
   77    HA   ARG   8           HA       ARG   8   8.101  -3.770  -6.345
   78    HB2  ARG   8          1HB       ARG   8   7.660  -3.999  -8.611
   79    HB3  ARG   8          2HB       ARG   8   7.407  -2.282  -8.847
   80    HG2  ARG   8          1HG       ARG   8   9.349  -2.847 -10.053
   81    HG3  ARG   8          2HG       ARG   8   9.899  -1.979  -8.625
   82    HD2  ARG   8          1HD       ARG   8  10.722  -3.954  -7.620
   83    HD3  ARG   8          2HD       ARG   8   9.821  -4.990  -8.735
   84    HE   ARG   8           HE       ARG   8  11.403  -3.654 -10.424
   85   HH11  ARG   8          1HH1      ARG   8  12.248  -5.225  -7.400
   86   HH12  ARG   8          2HH1      ARG   8  13.833  -5.668  -7.946
   87   HH21  ARG   8          1HH2      ARG   8  13.488  -4.215 -11.109
   88   HH22  ARG   8          2HH2      ARG   8  14.550  -5.069 -10.033
   89    H    GLY   9           H        GLY   9   9.911  -3.220  -5.269
   90    HA2  GLY   9          1HA       GLY   9  11.693  -1.238  -5.772
   91    HA3  GLY   9          2HA       GLY   9  10.508  -0.443  -4.746
   92    H    SER  10           H        SER  10  10.002  -1.620  -2.674
   93    HA   SER  10           HA       SER  10  11.672  -3.525  -1.516
   94    HB2  SER  10          1HB       SER  10  12.994  -1.974   0.020
   95    HB3  SER  10          2HB       SER  10  13.523  -2.015  -1.663
   96    HG   SER  10           HG       SER  10  12.124  -0.110  -1.937
   97    H    GLU  11           H        GLU  11  11.326  -3.668   0.880
   98    HA   GLU  11           HA       GLU  11   8.602  -3.577   1.386
   99    HB2  GLU  11          1HB       GLU  11   9.076  -4.220   3.653
  100    HB3  GLU  11          2HB       GLU  11  10.217  -5.037   2.597
  101    HG2  GLU  11          1HG       GLU  11  12.014  -3.759   3.324
  102    HG3  GLU  11          2HG       GLU  11  10.984  -2.460   3.919
  103    H    GLU  12           H        GLU  12  11.098  -1.241   2.328
  104    HA   GLU  12           HA       GLU  12   9.536   0.220   4.144
  105    HB2  GLU  12          1HB       GLU  12  11.966   0.431   4.087
  106    HB3  GLU  12          2HB       GLU  12  11.889   1.145   2.484
  107    HG2  GLU  12          1HG       GLU  12  12.260   2.872   4.117
  108    HG3  GLU  12          2HG       GLU  12  10.658   3.065   3.413
  109    H    GLU  13           H        GLU  13  10.361   1.092   0.758
  110    HA   GLU  13           HA       GLU  13   8.582   3.275   0.694
  111    HB2  GLU  13          1HB       GLU  13   8.885   3.259  -1.742
  112    HB3  GLU  13          2HB       GLU  13  10.415   3.130  -0.887
  113    HG2  GLU  13          1HG       GLU  13  10.435   0.708  -1.326
  114    HG3  GLU  13          2HG       GLU  13   8.927   0.878  -2.226
  115    H    CYS  14           H        CYS  14   8.111  -0.149   0.125
  116    HA   CYS  14           HA       CYS  14   5.489   0.018  -0.944
  117    HB2  CYS  14          2HB       CYS  14   6.742  -2.158   0.755
  118    HB3  CYS  14          1HB       CYS  14   5.221  -2.310  -0.115
  119    H    ARG  15           H        ARG  15   6.764  -0.103   2.343
  120    HA   ARG  15           HA       ARG  15   4.301  -0.166   3.725
  121    HB2  ARG  15          1HB       ARG  15   7.094   0.695   4.490
  122    HB3  ARG  15          2HB       ARG  15   5.757   0.833   5.621
  123    HG2  ARG  15          1HG       ARG  15   5.555  -1.445   5.885
  124    HG3  ARG  15          2HG       ARG  15   6.250  -1.802   4.303
  125    HD2  ARG  15          1HD       ARG  15   7.704  -2.395   6.270
  126    HD3  ARG  15          2HD       ARG  15   8.454  -1.341   5.073
  127    HE   ARG  15           HE       ARG  15   7.333   0.289   7.032
  128   HH11  ARG  15          1HH1      ARG  15   9.819  -2.172   6.829
  129   HH12  ARG  15          2HH1      ARG  15  10.826  -1.431   8.031
  130   HH21  ARG  15          1HH2      ARG  15   8.681   1.279   8.606
  131   HH22  ARG  15          2HH2      ARG  15  10.186   0.534   9.039
  132    H    LYS  16           H        LYS  16   6.381   2.471   2.621
  133    HA   LYS  16           HA       LYS  16   4.809   4.555   3.739
  134    HB2  LYS  16          1HB       LYS  16   6.721   4.664   1.389
  135    HB3  LYS  16          2HB       LYS  16   6.101   6.048   2.282
  136    HG2  LYS  16          1HG       LYS  16   7.193   5.054   4.338
  137    HG3  LYS  16          2HG       LYS  16   7.990   3.916   3.252
  138    HD2  LYS  16          1HD       LYS  16   9.464   5.792   3.721
  139    HD3  LYS  16          2HD       LYS  16   8.986   5.813   2.022
  140    HE2  LYS  16          1HE       LYS  16   8.922   8.058   3.003
  141    HE3  LYS  16          2HE       LYS  16   7.318   7.533   2.493
  142    HZ1  LYS  16          1HZ       LYS  16   8.368   7.503   5.269
  143    HZ2  LYS  16          2HZ       LYS  16   6.844   6.937   4.807
  144    HZ3  LYS  16          3HZ       LYS  16   7.223   8.579   4.647
  145    H    TYR  17           H        TYR  17   4.859   2.922   0.616
  146    HA   TYR  17           HA       TYR  17   2.954   4.490  -0.722
  147    HB2  TYR  17          2HB       TYR  17   4.305   2.827  -1.894
  148    HB3  TYR  17          1HB       TYR  17   3.574   1.526  -0.964
  149    HD1  TYR  17          1HD       TYR  17   1.539   0.523  -1.674
  150    HD2  TYR  17          2HD       TYR  17   2.885   4.103  -3.546
  151    HE1  TYR  17          1HE       TYR  17  -0.158   0.237  -3.423
  152    HE2  TYR  17          2HE       TYR  17   1.185   3.827  -5.303
  153    HH   TYR  17           HH       TYR  17  -0.128   1.954  -6.317
  154    H    ALA  18           H        ALA  18   2.591   1.586   1.278
  155    HA   ALA  18           HA       ALA  18  -0.224   1.449   1.224
  156    HB1  ALA  18          1HB       ALA  18   1.685   0.494   3.368
  157    HB2  ALA  18          2HB       ALA  18   1.173  -0.423   1.951
  158    HB3  ALA  18          3HB       ALA  18  -0.001   0.003   3.195
  159    H    GLU  19           H        GLU  19   2.041   3.117   3.347
  160    HA   GLU  19           HA       GLU  19   0.287   4.036   5.317
  161    HB2  GLU  19          1HB       GLU  19   2.756   4.181   5.456
  162    HB3  GLU  19          2HB       GLU  19   2.754   5.400   4.192
  163    HG2  GLU  19          1HG       GLU  19   3.033   6.504   6.283
  164    HG3  GLU  19          2HG       GLU  19   1.415   6.872   5.690
  165    H    GLU  20           H        GLU  20   1.515   5.813   2.495
  166    HA   GLU  20           HA       GLU  20  -0.098   8.063   2.738
  167    HB2  GLU  20          1HB       GLU  20   1.075   6.860   0.215
  168    HB3  GLU  20          2HB       GLU  20   0.472   8.503   0.371
  169    HG2  GLU  20          1HG       GLU  20   2.820   7.314   1.841
  170    HG3  GLU  20          2HG       GLU  20   2.894   8.455   0.499
  171    H    LEU  21           H        LEU  21  -0.575   5.171   0.745
  172    HA   LEU  21           HA       LEU  21  -2.942   5.949  -0.519
  173    HB2  LEU  21          1HB       LEU  21  -1.455   4.044  -1.142
  174    HB3  LEU  21          2HB       LEU  21  -2.064   3.153   0.236
  175    HG   LEU  21           HG       LEU  21  -4.269   3.013  -0.755
  176   HD11  LEU  21          1HD1      LEU  21  -4.743   3.916  -2.982
  177   HD12  LEU  21          2HD1      LEU  21  -3.151   4.676  -3.017
  178   HD13  LEU  21          3HD1      LEU  21  -4.354   5.199  -1.838
  179   HD21  LEU  21          1HD2      LEU  21  -2.142   2.336  -2.802
  180   HD22  LEU  21          2HD2      LEU  21  -3.756   1.629  -2.697
  181   HD23  LEU  21          3HD2      LEU  21  -2.579   1.335  -1.415
  182    H    SER  22           H        SER  22  -2.450   4.117   2.480
  183    HA   SER  22           HA       SER  22  -5.173   3.600   3.024
  184    HB2  SER  22          1HB       SER  22  -3.385   2.297   4.067
  185    HB3  SER  22          2HB       SER  22  -2.791   3.729   4.903
  186    HG   SER  22           HG       SER  22  -5.269   2.399   5.290
  187    H    ARG  23           H        ARG  23  -2.967   6.134   4.188
  188    HA   ARG  23           HA       ARG  23  -4.920   7.355   5.881
  189    HB2  ARG  23          1HB       ARG  23  -3.260   8.977   6.372
  190    HB3  ARG  23          2HB       ARG  23  -2.394   7.463   6.158
  191    HG2  ARG  23          1HG       ARG  23  -2.106   8.308   3.697
  192    HG3  ARG  23          2HG       ARG  23  -2.449   9.883   4.405
  193    HD2  ARG  23          1HD       ARG  23  -0.222   7.996   5.178
  194    HD3  ARG  23          2HD       ARG  23  -0.058   9.512   4.297
  195    HE   ARG  23           HE       ARG  23  -1.282   9.983   6.799
  196   HH11  ARG  23          1HH1      ARG  23   1.826   9.254   5.332
  197   HH12  ARG  23          2HH1      ARG  23   2.742   9.887   6.671
  198   HH21  ARG  23          1HH2      ARG  23  -0.062  10.838   8.550
  199   HH22  ARG  23          2HH2      ARG  23   1.674  10.786   8.486
  200    H    ARG  24           H        ARG  24  -4.168   7.546   2.532
  201    HA   ARG  24           HA       ARG  24  -5.261  10.180   2.104
  202    HB2  ARG  24          1HB       ARG  24  -3.477   9.052   0.660
  203    HB3  ARG  24          2HB       ARG  24  -4.768   8.061  -0.002
  204    HG2  ARG  24          1HG       ARG  24  -4.375   9.858  -1.520
  205    HG3  ARG  24          2HG       ARG  24  -5.914  10.175  -0.716
  206    HD2  ARG  24          1HD       ARG  24  -4.613  12.217  -0.845
  207    HD3  ARG  24          2HD       ARG  24  -4.762  11.708   0.838
  208    HE   ARG  24           HE       ARG  24  -2.350  10.966  -0.669
  209   HH11  ARG  24          1HH1      ARG  24  -3.812  12.824   1.919
  210   HH12  ARG  24          2HH1      ARG  24  -2.292  13.319   2.587
  211   HH21  ARG  24          1HH2      ARG  24  -0.355  11.575   0.242
  212   HH22  ARG  24          2HH2      ARG  24  -0.325  12.603   1.643
  213    H    THR  25           H        THR  25  -6.312   6.833   1.531
  214    HA   THR  25           HA       THR  25  -8.883   7.759   0.519
  215    HB   THR  25           HB       THR  25  -9.358   5.336   0.188
  216    HG1  THR  25          1HG       THR  25  -6.651   4.831   0.871
  217   HG21  THR  25          1HG2      THR  25  -7.727   4.985  -1.613
  218   HG22  THR  25          2HG2      THR  25  -6.710   6.266  -0.953
  219   HG23  THR  25          3HG2      THR  25  -8.304   6.651  -1.604
  220    H    GLY  26           H        GLY  26 -10.911   6.887   1.353
  221    HA2  GLY  26          1HA       GLY  26 -10.902   6.560   4.283
  222    HA3  GLY  26          2HA       GLY  26 -12.283   7.029   3.297
  223    H    CYS  27           H        CYS  27 -10.067   4.446   2.563
  224    HA   CYS  27           HA       CYS  27 -12.292   2.523   2.781
  225    HB2  CYS  27          2HB       CYS  27 -10.060   2.603   0.725
  226    HB3  CYS  27          1HB       CYS  27 -11.338   1.395   0.808
  227    H    GLU  28           H        GLU  28 -11.025   0.224   2.303
  228    HA   GLU  28           HA       GLU  28  -8.865   0.008   4.301
  229    HB2  GLU  28          1HB       GLU  28 -10.818  -1.303   4.943
  230    HB3  GLU  28          2HB       GLU  28 -10.900  -2.031   3.344
  231    HG2  GLU  28          1HG       GLU  28  -9.980  -3.635   4.843
  232    HG3  GLU  28          2HG       GLU  28  -8.698  -3.091   3.764
  233    H    VAL  29           H        VAL  29  -6.911  -0.436   3.462
  234    HA   VAL  29           HA       VAL  29  -6.822  -1.281   0.638
  235    HB   VAL  29           HB       VAL  29  -4.917   0.518   2.136
  236   HG11  VAL  29          1HG1      VAL  29  -3.705  -0.861   0.533
  237   HG12  VAL  29          2HG1      VAL  29  -3.771   0.813  -0.015
  238   HG13  VAL  29          3HG1      VAL  29  -4.831  -0.392  -0.744
  239   HG21  VAL  29          1HG2      VAL  29  -5.697   2.264   0.587
  240   HG22  VAL  29          2HG2      VAL  29  -7.015   1.626   1.568
  241   HG23  VAL  29          3HG2      VAL  29  -6.846   1.120  -0.113
  242    H    GLU  30           H        GLU  30  -5.569  -2.887   0.049
  243    HA   GLU  30           HA       GLU  30  -3.663  -4.065   1.958
  244    HB2  GLU  30          1HB       GLU  30  -5.760  -5.452   1.458
  245    HB3  GLU  30          2HB       GLU  30  -5.174  -5.578  -0.196
  246    HG2  GLU  30          1HG       GLU  30  -4.634  -7.550   1.185
  247    HG3  GLU  30          2HG       GLU  30  -3.203  -6.747   0.534
  248    H    VAL  31           H        VAL  31  -1.663  -4.765   0.979
  249    HA   VAL  31           HA       VAL  31  -1.304  -4.062  -1.828
  250    HB   VAL  31           HB       VAL  31  -0.873  -2.005  -0.380
  251   HG11  VAL  31          1HG1      VAL  31   1.291  -1.828   0.720
  252   HG12  VAL  31          2HG1      VAL  31   1.628  -3.520   0.356
  253   HG13  VAL  31          3HG1      VAL  31   0.308  -3.100   1.448
  254   HG21  VAL  31          1HG2      VAL  31  -0.131  -2.136  -2.686
  255   HG22  VAL  31          2HG2      VAL  31   1.339  -2.981  -2.192
  256   HG23  VAL  31          3HG2      VAL  31   1.073  -1.307  -1.703
  257    H    GLU  32           H        GLU  32   0.391  -5.036  -2.818
  258    HA   GLU  32           HA       GLU  32   1.801  -7.140  -1.308
  259    HB2  GLU  32          1HB       GLU  32   1.194  -7.042  -4.277
  260    HB3  GLU  32          2HB       GLU  32   1.813  -8.412  -3.366
  261    HG2  GLU  32          1HG       GLU  32  -0.274  -8.721  -2.258
  262    HG3  GLU  32          2HG       GLU  32  -0.892  -7.188  -2.872
  263    H    CYS  33           H        CYS  33   4.044  -7.093  -1.388
  264    HA   CYS  33           HA       CYS  33   5.178  -4.826  -2.896
  265    HB2  CYS  33          2HB       CYS  33   5.246  -4.430  -0.503
  266    HB3  CYS  33          1HB       CYS  33   6.046  -5.976  -0.238
  267    H    GLU  34           H        GLU  34   6.772  -5.179  -4.268
  268    HA   GLU  34           HA       GLU  34   8.386  -7.638  -4.035
  269    HB2  GLU  34          1HB       GLU  34   7.923  -5.821  -6.420
  270    HB3  GLU  34          2HB       GLU  34   9.090  -7.135  -6.395
  271    HG2  GLU  34          1HG       GLU  34   6.140  -7.500  -5.976
  272    HG3  GLU  34          2HG       GLU  34   6.941  -7.636  -7.535
  273    H    THR  35           H        THR  35  10.645  -7.361  -4.178
  274    HA   THR  35           HA       THR  35  11.523  -4.699  -3.288
  275    HB   THR  35           HB       THR  35  13.072  -7.303  -3.124
  276    HG1  THR  35          1HG       THR  35  11.473  -7.635  -1.698
  277   HG21  THR  35          1HG2      THR  35  14.422  -6.093  -1.459
  278   HG22  THR  35          2HG2      THR  35  13.463  -4.640  -1.740
  279   HG23  THR  35          3HG2      THR  35  14.476  -5.291  -3.029
  Start of MODEL   10
    1    H1   CYS   1          1H        CYS   1 -15.212  -1.952  -0.797
    2    H2   CYS   1          2H        CYS   1 -16.147  -0.557  -0.636
    3    H3   CYS   1          3H        CYS   1 -15.432  -1.251   0.725
    4    HA   CYS   1           HA       CYS   1 -13.993  -0.049  -1.557
    5    HB2  CYS   1          2HB       CYS   1 -15.333   1.361   0.249
    6    HB3  CYS   1          1HB       CYS   1 -13.900   1.055   1.221
    7    H    LYS   2           H        LYS   2 -13.575  -2.678  -0.663
    8    HA   LYS   2           HA       LYS   2 -10.943  -2.512   0.630
    9    HB2  LYS   2          1HB       LYS   2 -12.562  -4.927  -0.234
   10    HB3  LYS   2          2HB       LYS   2 -10.972  -5.004   0.511
   11    HG2  LYS   2          1HG       LYS   2 -11.904  -3.909   2.524
   12    HG3  LYS   2          2HG       LYS   2 -13.500  -3.968   1.776
   13    HD2  LYS   2          1HD       LYS   2 -11.776  -6.375   2.392
   14    HD3  LYS   2          2HD       LYS   2 -13.125  -5.815   3.377
   15    HE2  LYS   2          1HE       LYS   2 -13.975  -7.590   2.070
   16    HE3  LYS   2          2HE       LYS   2 -14.587  -6.117   1.329
   17    HZ1  LYS   2          1HZ       LYS   2 -13.063  -6.320  -0.446
   18    HZ2  LYS   2          2HZ       LYS   2 -13.710  -7.866  -0.227
   19    HZ3  LYS   2          3HZ       LYS   2 -12.160  -7.511   0.343
   20    H    GLN   3           H        GLN   3  -9.246  -2.201  -0.664
   21    HA   GLN   3           HA       GLN   3  -9.421  -3.087  -3.479
   22    HB2  GLN   3          1HB       GLN   3  -7.815  -0.815  -2.276
   23    HB3  GLN   3          2HB       GLN   3  -7.800  -1.281  -3.974
   24    HG2  GLN   3          1HG       GLN   3 -10.125  -0.668  -4.207
   25    HG3  GLN   3          2HG       GLN   3 -10.240  -0.323  -2.482
   26   HE21  GLN   3          1HE2      GLN   3  -8.604   2.356  -5.044
   27   HE22  GLN   3          2HE2      GLN   3  -8.971   0.737  -5.533
   28    H    ARG   4           H        ARG   4  -7.457  -3.869  -4.453
   29    HA   ARG   4           HA       ARG   4  -5.250  -4.501  -2.609
   30    HB2  ARG   4          1HB       ARG   4  -6.380  -6.406  -4.686
   31    HB3  ARG   4          2HB       ARG   4  -4.909  -6.672  -3.759
   32    HG2  ARG   4          1HG       ARG   4  -6.315  -6.593  -1.678
   33    HG3  ARG   4          2HG       ARG   4  -7.738  -6.587  -2.725
   34    HD2  ARG   4          1HD       ARG   4  -7.314  -8.848  -2.023
   35    HD3  ARG   4          2HD       ARG   4  -6.930  -8.717  -3.739
   36    HE   ARG   4           HE       ARG   4  -4.959  -8.865  -1.543
   37   HH11  ARG   4          1HH1      ARG   4  -5.760  -9.230  -4.936
   38   HH12  ARG   4          2HH1      ARG   4  -4.237  -9.957  -5.349
   39   HH21  ARG   4          1HH2      ARG   4  -2.944  -9.811  -2.091
   40   HH22  ARG   4          2HH2      ARG   4  -2.631 -10.267  -3.737
   41    H    ARG   5           H        ARG   5  -3.442  -3.602  -3.342
   42    HA   ARG   5           HA       ARG   5  -3.144  -3.153  -6.246
   43    HB2  ARG   5          1HB       ARG   5  -2.214  -1.399  -3.956
   44    HB3  ARG   5          2HB       ARG   5  -1.798  -1.140  -5.640
   45    HG2  ARG   5          1HG       ARG   5  -4.594  -1.079  -4.525
   46    HG3  ARG   5          2HG       ARG   5  -3.604   0.332  -4.892
   47    HD2  ARG   5          1HD       ARG   5  -3.478  -0.469  -7.255
   48    HD3  ARG   5          2HD       ARG   5  -4.639  -1.728  -6.838
   49    HE   ARG   5           HE       ARG   5  -6.232   0.050  -6.340
   50   HH11  ARG   5          1HH1      ARG   5  -3.438   0.852  -8.270
   51   HH12  ARG   5          2HH1      ARG   5  -4.175   2.235  -9.009
   52   HH21  ARG   5          1HH2      ARG   5  -7.224   1.895  -7.308
   53   HH22  ARG   5          2HH2      ARG   5  -6.322   2.841  -8.449
   54    H    ARG   6           H        ARG   6  -1.008  -3.323  -7.083
   55    HA   ARG   6           HA       ARG   6   0.842  -4.832  -5.353
   56    HB2  ARG   6          1HB       ARG   6   0.480  -4.980  -8.359
   57    HB3  ARG   6          2HB       ARG   6   1.763  -5.794  -7.470
   58    HG2  ARG   6          1HG       ARG   6  -0.092  -6.923  -6.131
   59    HG3  ARG   6          2HG       ARG   6  -1.197  -6.318  -7.366
   60    HD2  ARG   6          1HD       ARG   6   1.215  -8.043  -7.927
   61    HD3  ARG   6          2HD       ARG   6  -0.428  -8.655  -7.743
   62    HE   ARG   6           HE       ARG   6  -0.913  -7.049  -9.696
   63   HH11  ARG   6          1HH1      ARG   6   2.130  -8.725  -9.240
   64   HH12  ARG   6          2HH1      ARG   6   2.409  -8.946 -10.936
   65   HH21  ARG   6          1HH2      ARG   6  -0.538  -7.342 -11.947
   66   HH22  ARG   6          2HH2      ARG   6   0.908  -8.146 -12.468
   67    H    TYR   7           H        TYR   7   2.897  -4.167  -5.176
   68    HA   TYR   7           HA       TYR   7   3.731  -1.752  -6.628
   69    HB2  TYR   7          2HB       TYR   7   2.766  -1.181  -4.370
   70    HB3  TYR   7          1HB       TYR   7   4.019  -2.171  -3.634
   71    HD1  TYR   7          1HD       TYR   7   6.281  -1.347  -3.413
   72    HD2  TYR   7          2HD       TYR   7   3.343   0.943  -5.479
   73    HE1  TYR   7          1HE       TYR   7   7.769   0.610  -3.352
   74    HE2  TYR   7          2HE       TYR   7   4.829   2.900  -5.434
   75    HH   TYR   7           HH       TYR   7   8.116   2.709  -4.590
   76    H    ARG   8           H        ARG   8   5.988  -1.588  -6.920
   77    HA   ARG   8           HA       ARG   8   7.488  -4.027  -6.223
   78    HB2  ARG   8          1HB       ARG   8   8.837  -3.660  -8.223
   79    HB3  ARG   8          2HB       ARG   8   7.136  -3.782  -8.639
   80    HG2  ARG   8          1HG       ARG   8   7.041  -1.295  -8.762
   81    HG3  ARG   8          2HG       ARG   8   8.784  -1.261  -8.486
   82    HD2  ARG   8          1HD       ARG   8   7.307  -2.450 -10.829
   83    HD3  ARG   8          2HD       ARG   8   8.412  -1.079 -10.839
   84    HE   ARG   8           HE       ARG   8   9.085  -3.859 -10.957
   85   HH11  ARG   8          1HH1      ARG   8  10.284  -0.729  -9.937
   86   HH12  ARG   8          2HH1      ARG   8  11.950  -1.178 -10.063
   87   HH21  ARG   8          1HH2      ARG   8  11.264  -4.436 -11.186
   88   HH22  ARG   8          2HH2      ARG   8  12.513  -3.290 -10.809
   89    H    GLY   9           H        GLY   9   9.059  -3.766  -4.791
   90    HA2  GLY   9          1HA       GLY   9  11.052  -1.944  -4.623
   91    HA3  GLY   9          2HA       GLY   9   9.704  -1.092  -3.880
   92    H    SER  10           H        SER  10  11.442  -1.223  -2.110
   93    HA   SER  10           HA       SER  10  11.586  -3.806  -0.768
   94    HB2  SER  10          1HB       SER  10  13.226  -2.606   0.719
   95    HB3  SER  10          2HB       SER  10  13.674  -2.636  -0.986
   96    HG   SER  10           HG       SER  10  13.264  -0.533  -1.167
   97    H    GLU  11           H        GLU  11  11.630  -3.590   1.707
   98    HA   GLU  11           HA       GLU  11   9.118  -3.494   2.696
   99    HB2  GLU  11          1HB       GLU  11  10.190  -3.299   4.955
  100    HB3  GLU  11          2HB       GLU  11  10.903  -4.528   3.918
  101    HG2  GLU  11          1HG       GLU  11  12.686  -2.867   3.316
  102    HG3  GLU  11          2HG       GLU  11  12.023  -1.803   4.555
  103    H    GLU  12           H        GLU  12  11.452  -0.782   2.943
  104    HA   GLU  12           HA       GLU  12   9.671   0.859   4.424
  105    HB2  GLU  12          1HB       GLU  12  12.361   0.975   3.822
  106    HB3  GLU  12          2HB       GLU  12  11.713   2.299   2.867
  107    HG2  GLU  12          1HG       GLU  12  11.417   1.924   5.847
  108    HG3  GLU  12          2HG       GLU  12  12.463   3.083   5.033
  109    H    GLU  13           H        GLU  13  10.392   0.541   0.982
  110    HA   GLU  13           HA       GLU  13   8.903   2.742   0.048
  111    HB2  GLU  13          1HB       GLU  13   9.396   0.068  -1.302
  112    HB3  GLU  13          2HB       GLU  13   8.848   1.531  -2.110
  113    HG2  GLU  13          1HG       GLU  13  11.512   1.120  -0.759
  114    HG3  GLU  13          2HG       GLU  13  11.212   1.177  -2.494
  115    H    CYS  14           H        CYS  14   8.025  -0.618   0.700
  116    HA   CYS  14           HA       CYS  14   5.321  -0.506  -0.035
  117    HB2  CYS  14          2HB       CYS  14   6.738  -2.199   2.042
  118    HB3  CYS  14          1HB       CYS  14   5.072  -2.461   1.532
  119    H    ARG  15           H        ARG  15   6.929   0.120   3.066
  120    HA   ARG  15           HA       ARG  15   4.635   0.636   4.597
  121    HB2  ARG  15          1HB       ARG  15   7.502   1.535   4.863
  122    HB3  ARG  15          2HB       ARG  15   6.274   1.977   6.042
  123    HG2  ARG  15          1HG       ARG  15   6.933  -0.875   5.311
  124    HG3  ARG  15          2HG       ARG  15   7.668  -0.007   6.660
  125    HD2  ARG  15          1HD       ARG  15   4.713  -0.536   6.297
  126    HD3  ARG  15          2HD       ARG  15   5.785  -1.389   7.409
  127    HE   ARG  15           HE       ARG  15   6.141   1.070   8.265
  128   HH11  ARG  15          1HH1      ARG  15   3.123  -0.499   7.376
  129   HH12  ARG  15          2HH1      ARG  15   2.168   0.503   8.422
  130   HH21  ARG  15          1HH2      ARG  15   4.889   2.348   9.638
  131   HH22  ARG  15          2HH2      ARG  15   3.170   2.108   9.716
  132    H    LYS  16           H        LYS  16   6.715   2.821   2.733
  133    HA   LYS  16           HA       LYS  16   5.458   5.236   3.384
  134    HB2  LYS  16          1HB       LYS  16   6.894   4.400   0.855
  135    HB3  LYS  16          2HB       LYS  16   6.383   6.047   1.180
  136    HG2  LYS  16          1HG       LYS  16   8.247   4.554   3.016
  137    HG3  LYS  16          2HG       LYS  16   8.820   5.461   1.621
  138    HD2  LYS  16          1HD       LYS  16   9.038   6.980   3.380
  139    HD3  LYS  16          2HD       LYS  16   7.515   7.448   2.628
  140    HE2  LYS  16          1HE       LYS  16   7.252   7.473   5.020
  141    HE3  LYS  16          2HE       LYS  16   6.316   6.135   4.361
  142    HZ1  LYS  16          1HZ       LYS  16   7.480   5.411   6.296
  143    HZ2  LYS  16          2HZ       LYS  16   8.960   5.960   5.694
  144    HZ3  LYS  16          3HZ       LYS  16   8.181   4.654   4.955
  145    H    TYR  17           H        TYR  17   5.005   3.264   0.444
  146    HA   TYR  17           HA       TYR  17   2.924   4.742  -0.653
  147    HB2  TYR  17          2HB       TYR  17   4.121   3.066  -1.946
  148    HB3  TYR  17          1HB       TYR  17   3.501   1.783  -0.914
  149    HD1  TYR  17          1HD       TYR  17   1.411   0.764  -1.377
  150    HD2  TYR  17          2HD       TYR  17   2.470   4.368  -3.390
  151    HE1  TYR  17          1HE       TYR  17  -0.540   0.507  -2.854
  152    HE2  TYR  17          2HE       TYR  17   0.520   4.119  -4.870
  153    HH   TYR  17           HH       TYR  17  -0.950   2.264  -5.698
  154    H    ALA  18           H        ALA  18   2.775   1.967   1.548
  155    HA   ALA  18           HA       ALA  18  -0.020   1.662   1.551
  156    HB1  ALA  18          1HB       ALA  18   1.460  -0.078   2.379
  157    HB2  ALA  18          2HB       ALA  18   0.306   0.387   3.630
  158    HB3  ALA  18          3HB       ALA  18   1.974   0.965   3.707
  159    H    GLU  19           H        GLU  19   2.118   3.530   3.702
  160    HA   GLU  19           HA       GLU  19   0.094   4.367   5.481
  161    HB2  GLU  19          1HB       GLU  19   2.531   4.428   5.980
  162    HB3  GLU  19          2HB       GLU  19   2.707   5.762   4.847
  163    HG2  GLU  19          1HG       GLU  19   1.310   7.173   6.214
  164    HG3  GLU  19          2HG       GLU  19   0.959   5.831   7.302
  165    H    GLU  20           H        GLU  20   1.550   5.945   2.647
  166    HA   GLU  20           HA       GLU  20   0.044   8.309   2.701
  167    HB2  GLU  20          1HB       GLU  20   1.053   6.822   0.257
  168    HB3  GLU  20          2HB       GLU  20   0.559   8.509   0.307
  169    HG2  GLU  20          1HG       GLU  20   2.946   7.278   1.673
  170    HG3  GLU  20          2HG       GLU  20   2.954   8.381   0.300
  171    H    LEU  21           H        LEU  21  -0.532   5.251   1.029
  172    HA   LEU  21           HA       LEU  21  -2.949   5.895  -0.209
  173    HB2  LEU  21          1HB       LEU  21  -1.506   3.914  -0.683
  174    HB3  LEU  21          2HB       LEU  21  -2.054   3.193   0.817
  175    HG   LEU  21           HG       LEU  21  -4.326   3.044  -0.029
  176   HD11  LEU  21          1HD1      LEU  21  -3.239   4.364  -2.520
  177   HD12  LEU  21          2HD1      LEU  21  -4.427   5.030  -1.400
  178   HD13  LEU  21          3HD1      LEU  21  -4.833   3.623  -2.379
  179   HD21  LEU  21          1HD2      LEU  21  -3.954   1.399  -1.808
  180   HD22  LEU  21          2HD2      LEU  21  -2.803   1.195  -0.487
  181   HD23  LEU  21          3HD2      LEU  21  -2.295   1.965  -1.992
  182    H    SER  22           H        SER  22  -2.239   4.771   3.045
  183    HA   SER  22           HA       SER  22  -4.913   4.209   3.800
  184    HB2  SER  22          1HB       SER  22  -2.930   3.299   4.989
  185    HB3  SER  22          2HB       SER  22  -2.553   4.919   5.573
  186    HG   SER  22           HG       SER  22  -5.089   3.783   6.051
  187    H    ARG  23           H        ARG  23  -2.821   7.078   4.284
  188    HA   ARG  23           HA       ARG  23  -4.898   8.585   5.574
  189    HB2  ARG  23          1HB       ARG  23  -3.403  10.514   5.360
  190    HB3  ARG  23          2HB       ARG  23  -2.536   9.119   5.984
  191    HG2  ARG  23          1HG       ARG  23  -1.433   8.757   3.915
  192    HG3  ARG  23          2HG       ARG  23  -2.498   9.879   3.070
  193    HD2  ARG  23          1HD       ARG  23  -0.263  10.831   3.478
  194    HD3  ARG  23          2HD       ARG  23  -1.541  11.752   4.269
  195    HE   ARG  23           HE       ARG  23  -0.875  10.537   6.356
  196   HH11  ARG  23          1HH1      ARG  23   1.428  10.949   3.744
  197   HH12  ARG  23          2HH1      ARG  23   2.805  10.909   4.792
  198   HH21  ARG  23          1HH2      ARG  23   0.936  10.515   7.727
  199   HH22  ARG  23          2HH2      ARG  23   2.528  10.682   7.059
  200    H    ARG  24           H        ARG  24  -4.155   7.826   2.348
  201    HA   ARG  24           HA       ARG  24  -5.278  10.196   1.146
  202    HB2  ARG  24          1HB       ARG  24  -3.423   8.741   0.177
  203    HB3  ARG  24          2HB       ARG  24  -4.668   7.564  -0.209
  204    HG2  ARG  24          1HG       ARG  24  -4.157   8.884  -2.154
  205    HG3  ARG  24          2HG       ARG  24  -5.797   9.251  -1.612
  206    HD2  ARG  24          1HD       ARG  24  -5.103  11.323  -0.652
  207    HD3  ARG  24          2HD       ARG  24  -3.398  10.912  -0.842
  208    HE   ARG  24           HE       ARG  24  -4.755  10.942  -3.341
  209   HH11  ARG  24          1HH1      ARG  24  -3.397  13.089  -0.914
  210   HH12  ARG  24          2HH1      ARG  24  -2.978  14.311  -2.075
  211   HH21  ARG  24          1HH2      ARG  24  -4.191  12.551  -4.845
  212   HH22  ARG  24          2HH2      ARG  24  -3.428  14.013  -4.293
  213    H    THR  25           H        THR  25  -6.216   6.760   1.274
  214    HA   THR  25           HA       THR  25  -8.955   7.542   0.510
  215    HB   THR  25           HB       THR  25  -7.585   4.870   0.093
  216    HG1  THR  25          1HG       THR  25  -7.936   7.146  -1.555
  217   HG21  THR  25          1HG2      THR  25  -9.509   4.345  -1.324
  218   HG22  THR  25          2HG2      THR  25 -10.226   5.912  -0.953
  219   HG23  THR  25          3HG2      THR  25 -10.039   4.707   0.319
  220    H    GLY  26           H        GLY  26 -10.247   7.558   2.233
  221    HA2  GLY  26          1HA       GLY  26  -9.749   6.091   4.633
  222    HA3  GLY  26          2HA       GLY  26 -11.195   7.021   4.256
  223    H    CYS  27           H        CYS  27  -9.567   3.994   3.437
  224    HA   CYS  27           HA       CYS  27 -12.071   2.521   3.616
  225    HB2  CYS  27          2HB       CYS  27 -10.437   2.704   1.070
  226    HB3  CYS  27          1HB       CYS  27 -11.654   1.471   1.358
  227    H    GLU  28           H        GLU  28 -11.133   0.121   2.440
  228    HA   GLU  28           HA       GLU  28  -8.783  -0.491   4.132
  229    HB2  GLU  28          1HB       GLU  28 -10.851  -1.687   4.814
  230    HB3  GLU  28          2HB       GLU  28 -10.969  -2.380   3.202
  231    HG2  GLU  28          1HG       GLU  28 -10.039  -3.973   4.787
  232    HG3  GLU  28          2HG       GLU  28  -8.868  -3.568   3.534
  233    H    VAL  29           H        VAL  29  -7.069  -1.594   3.186
  234    HA   VAL  29           HA       VAL  29  -7.259  -2.332   0.392
  235    HB   VAL  29           HB       VAL  29  -6.873   0.082   0.248
  236   HG11  VAL  29          1HG1      VAL  29  -4.325  -0.434   1.793
  237   HG12  VAL  29          2HG1      VAL  29  -5.743   0.431   2.384
  238   HG13  VAL  29          3HG1      VAL  29  -4.796   1.098   1.054
  239   HG21  VAL  29          1HG2      VAL  29  -4.953   0.040  -1.244
  240   HG22  VAL  29          2HG2      VAL  29  -5.926  -1.413  -1.468
  241   HG23  VAL  29          3HG2      VAL  29  -4.419  -1.492  -0.553
  242    H    GLU  30           H        GLU  30  -5.734  -3.706  -0.271
  243    HA   GLU  30           HA       GLU  30  -3.669  -4.556   1.650
  244    HB2  GLU  30          1HB       GLU  30  -5.358  -6.292   1.184
  245    HB3  GLU  30          2HB       GLU  30  -5.077  -6.116  -0.544
  246    HG2  GLU  30          1HG       GLU  30  -3.974  -8.095   0.320
  247    HG3  GLU  30          2HG       GLU  30  -2.793  -6.924  -0.270
  248    H    VAL  31           H        VAL  31  -1.571  -4.542   0.927
  249    HA   VAL  31           HA       VAL  31  -1.156  -3.722  -1.871
  250    HB   VAL  31           HB       VAL  31  -0.841  -1.800  -0.327
  251   HG11  VAL  31          1HG1      VAL  31   1.066  -1.717   1.191
  252   HG12  VAL  31          2HG1      VAL  31   1.459  -3.394   0.815
  253   HG13  VAL  31          3HG1      VAL  31  -0.047  -3.006   1.649
  254   HG21  VAL  31          1HG2      VAL  31   1.364  -1.106  -1.190
  255   HG22  VAL  31          2HG2      VAL  31   0.348  -1.832  -2.433
  256   HG23  VAL  31          3HG2      VAL  31   1.662  -2.764  -1.716
  257    H    GLU  32           H        GLU  32   0.545  -4.640  -2.923
  258    HA   GLU  32           HA       GLU  32   1.771  -6.943  -1.536
  259    HB2  GLU  32          1HB       GLU  32   0.102  -6.892  -3.774
  260    HB3  GLU  32          2HB       GLU  32   1.704  -7.056  -4.473
  261    HG2  GLU  32          1HG       GLU  32   0.569  -8.867  -2.349
  262    HG3  GLU  32          2HG       GLU  32   0.537  -9.204  -4.079
  263    H    CYS  33           H        CYS  33   3.965  -7.367  -1.900
  264    HA   CYS  33           HA       CYS  33   5.471  -5.085  -3.023
  265    HB2  CYS  33          2HB       CYS  33   6.209  -6.917  -0.729
  266    HB3  CYS  33          1HB       CYS  33   7.225  -5.627  -1.366
  267    H    GLU  34           H        GLU  34   6.486  -5.591  -4.842
  268    HA   GLU  34           HA       GLU  34   7.485  -8.341  -5.195
  269    HB2  GLU  34          1HB       GLU  34   6.731  -6.337  -7.335
  270    HB3  GLU  34          2HB       GLU  34   7.284  -7.983  -7.605
  271    HG2  GLU  34          1HG       GLU  34   5.297  -8.825  -6.413
  272    HG3  GLU  34          2HG       GLU  34   4.737  -7.164  -6.232
  273    H    THR  35           H        THR  35   9.514  -8.654  -6.001
  274    HA   THR  35           HA       THR  35  11.255  -6.468  -6.699
  275    HB   THR  35           HB       THR  35  11.966  -8.177  -4.289
  276    HG1  THR  35          1HG       THR  35  10.705  -5.685  -4.504
  277   HG21  THR  35          1HG2      THR  35  13.840  -6.621  -4.042
  278   HG22  THR  35          2HG2      THR  35  13.320  -5.751  -5.485
  279   HG23  THR  35          3HG2      THR  35  13.887  -7.415  -5.615
  Start of MODEL   11
    1    H1   CYS   1          1H        CYS   1 -15.294   0.275   0.492
    2    H2   CYS   1          2H        CYS   1 -14.487  -0.937   1.357
    3    H3   CYS   1          3H        CYS   1 -14.799  -1.136  -0.294
    4    HA   CYS   1           HA       CYS   1 -13.312   0.614  -0.871
    5    HB2  CYS   1          2HB       CYS   1 -13.579   1.168   1.997
    6    HB3  CYS   1          1HB       CYS   1 -11.923   1.244   1.431
    7    H    LYS   2           H        LYS   2 -13.349  -2.310  -0.403
    8    HA   LYS   2           HA       LYS   2 -10.760  -2.980   0.675
    9    HB2  LYS   2          1HB       LYS   2 -12.821  -4.447   0.860
   10    HB3  LYS   2          2HB       LYS   2 -12.659  -4.779  -0.858
   11    HG2  LYS   2          1HG       LYS   2 -10.344  -5.289   0.967
   12    HG3  LYS   2          2HG       LYS   2 -11.688  -6.431   0.923
   13    HD2  LYS   2          1HD       LYS   2 -10.046  -5.568  -1.473
   14    HD3  LYS   2          2HD       LYS   2  -9.839  -7.081  -0.591
   15    HE2  LYS   2          1HE       LYS   2 -12.219  -7.645  -1.160
   16    HE3  LYS   2          2HE       LYS   2 -12.257  -6.210  -2.182
   17    HZ1  LYS   2          1HZ       LYS   2 -11.787  -8.155  -3.494
   18    HZ2  LYS   2          2HZ       LYS   2 -10.466  -8.558  -2.524
   19    HZ3  LYS   2          3HZ       LYS   2 -10.420  -7.161  -3.476
   20    H    GLN   3           H        GLN   3  -8.999  -2.567  -0.455
   21    HA   GLN   3           HA       GLN   3  -9.012  -3.073  -3.358
   22    HB2  GLN   3          1HB       GLN   3  -9.234  -0.692  -3.128
   23    HB3  GLN   3          2HB       GLN   3  -7.964  -0.636  -1.919
   24    HG2  GLN   3          1HG       GLN   3  -6.320  -1.278  -3.617
   25    HG3  GLN   3          2HG       GLN   3  -7.597  -1.327  -4.831
   26   HE21  GLN   3          1HE2      GLN   3  -6.007   2.208  -3.598
   27   HE22  GLN   3          2HE2      GLN   3  -5.664   0.724  -2.780
   28    H    ARG   4           H        ARG   4  -7.083  -3.761  -4.228
   29    HA   ARG   4           HA       ARG   4  -4.835  -4.241  -2.385
   30    HB2  ARG   4          1HB       ARG   4  -6.147  -6.156  -4.303
   31    HB3  ARG   4          2HB       ARG   4  -4.445  -6.337  -3.898
   32    HG2  ARG   4          1HG       ARG   4  -5.005  -6.600  -1.546
   33    HG3  ARG   4          2HG       ARG   4  -6.716  -6.346  -1.908
   34    HD2  ARG   4          1HD       ARG   4  -6.007  -8.755  -1.645
   35    HD3  ARG   4          2HD       ARG   4  -6.850  -8.366  -3.146
   36    HE   ARG   4           HE       ARG   4  -3.901  -8.538  -3.029
   37   HH11  ARG   4          1HH1      ARG   4  -6.970  -9.481  -4.437
   38   HH12  ARG   4          2HH1      ARG   4  -6.244 -10.358  -5.746
   39   HH21  ARG   4          1HH2      ARG   4  -2.945  -9.694  -4.732
   40   HH22  ARG   4          2HH2      ARG   4  -3.946 -10.499  -5.902
   41    H    ARG   5           H        ARG   5  -2.896  -3.690  -3.151
   42    HA   ARG   5           HA       ARG   5  -2.611  -3.066  -6.016
   43    HB2  ARG   5          1HB       ARG   5  -1.617  -1.400  -3.681
   44    HB3  ARG   5          2HB       ARG   5  -1.171  -1.125  -5.360
   45    HG2  ARG   5          1HG       ARG   5  -3.969  -0.965  -4.242
   46    HG3  ARG   5          2HG       ARG   5  -2.925   0.412  -4.608
   47    HD2  ARG   5          1HD       ARG   5  -2.961  -0.085  -6.946
   48    HD3  ARG   5          2HD       ARG   5  -3.745  -1.640  -6.665
   49    HE   ARG   5           HE       ARG   5  -5.312   0.554  -5.719
   50   HH11  ARG   5          1HH1      ARG   5  -4.411  -1.202  -8.601
   51   HH12  ARG   5          2HH1      ARG   5  -5.901  -0.871  -9.430
   52   HH21  ARG   5          1HH2      ARG   5  -7.305   0.975  -6.782
   53   HH22  ARG   5          2HH2      ARG   5  -7.553   0.352  -8.386
   54    H    ARG   6           H        ARG   6  -0.703  -3.695  -6.919
   55    HA   ARG   6           HA       ARG   6   1.229  -4.989  -5.117
   56    HB2  ARG   6          1HB       ARG   6   1.816  -6.516  -6.884
   57    HB3  ARG   6          2HB       ARG   6   0.075  -6.561  -6.658
   58    HG2  ARG   6          1HG       ARG   6  -0.166  -5.062  -8.627
   59    HG3  ARG   6          2HG       ARG   6   1.577  -5.182  -8.880
   60    HD2  ARG   6          1HD       ARG   6   0.520  -6.775 -10.320
   61    HD3  ARG   6          2HD       ARG   6   1.305  -7.668  -9.017
   62    HE   ARG   6           HE       ARG   6  -1.590  -7.115  -9.145
   63   HH11  ARG   6          1HH1      ARG   6   1.082  -9.187  -8.202
   64   HH12  ARG   6          2HH1      ARG   6   0.047 -10.452  -7.617
   65   HH21  ARG   6          1HH2      ARG   6  -2.938  -8.778  -8.388
   66   HH22  ARG   6          2HH2      ARG   6  -2.238 -10.225  -7.728
   67    H    TYR   7           H        TYR   7   3.327  -4.439  -5.253
   68    HA   TYR   7           HA       TYR   7   4.002  -2.191  -7.048
   69    HB2  TYR   7          2HB       TYR   7   3.242  -1.525  -4.677
   70    HB3  TYR   7          1HB       TYR   7   4.729  -2.272  -4.108
   71    HD1  TYR   7          1HD       TYR   7   6.863  -1.165  -4.413
   72    HD2  TYR   7          2HD       TYR   7   3.306   0.525  -6.032
   73    HE1  TYR   7          1HE       TYR   7   8.056   0.946  -4.816
   74    HE2  TYR   7          2HE       TYR   7   4.495   2.639  -6.441
   75    HH   TYR   7           HH       TYR   7   7.921   2.900  -6.182
   76    H    ARG   8           H        ARG   8   6.384  -1.807  -7.144
   77    HA   ARG   8           HA       ARG   8   7.965  -4.204  -6.460
   78    HB2  ARG   8          1HB       ARG   8   9.414  -3.675  -8.412
   79    HB3  ARG   8          2HB       ARG   8   7.766  -4.084  -8.868
   80    HG2  ARG   8          1HG       ARG   8   7.254  -1.707  -9.168
   81    HG3  ARG   8          2HG       ARG   8   8.910  -1.295  -8.714
   82    HD2  ARG   8          1HD       ARG   8   8.114  -2.994 -11.080
   83    HD3  ARG   8          2HD       ARG   8   8.573  -1.294 -11.149
   84    HE   ARG   8           HE       ARG   8  10.688  -2.519  -9.926
   85   HH11  ARG   8          1HH1      ARG   8   8.994  -2.993 -12.947
   86   HH12  ARG   8          2HH1      ARG   8  10.404  -3.534 -13.804
   87   HH21  ARG   8          1HH2      ARG   8  12.552  -3.222 -11.051
   88   HH22  ARG   8          2HH2      ARG   8  12.425  -3.654 -12.729
   89    H    GLY   9           H        GLY   9   9.297  -3.781  -4.835
   90    HA2  GLY   9          1HA       GLY   9  11.324  -1.992  -4.717
   91    HA3  GLY   9          2HA       GLY   9   9.955  -1.058  -4.130
   92    H    SER  10           H        SER  10  11.546  -1.040  -2.264
   93    HA   SER  10           HA       SER  10  11.719  -3.448  -0.680
   94    HB2  SER  10          1HB       SER  10  12.561  -0.619   0.019
   95    HB3  SER  10          2HB       SER  10  13.076  -2.103   0.824
   96    HG   SER  10           HG       SER  10  14.488  -2.438  -0.711
   97    H    GLU  11           H        GLU  11  11.198  -3.262   1.725
   98    HA   GLU  11           HA       GLU  11   8.448  -2.993   2.049
   99    HB2  GLU  11          1HB       GLU  11   8.897  -3.200   4.501
  100    HB3  GLU  11          2HB       GLU  11   9.644  -4.448   3.512
  101    HG2  GLU  11          1HG       GLU  11  11.795  -3.368   3.691
  102    HG3  GLU  11          2HG       GLU  11  11.076  -2.017   4.572
  103    H    GLU  12           H        GLU  12  10.978  -0.597   2.431
  104    HA   GLU  12           HA       GLU  12   9.636   1.374   3.814
  105    HB2  GLU  12          1HB       GLU  12  11.645   1.413   1.563
  106    HB3  GLU  12          2HB       GLU  12  11.038   2.871   2.283
  107    HG2  GLU  12          1HG       GLU  12  13.128   2.405   3.295
  108    HG3  GLU  12          2HG       GLU  12  11.873   2.088   4.489
  109    H    GLU  13           H        GLU  13   9.786   0.756   0.321
  110    HA   GLU  13           HA       GLU  13   7.951   2.712  -0.489
  111    HB2  GLU  13          1HB       GLU  13   8.507   0.048  -1.832
  112    HB3  GLU  13          2HB       GLU  13   7.820   1.478  -2.591
  113    HG2  GLU  13          1HG       GLU  13  10.622   1.171  -1.526
  114    HG3  GLU  13          2HG       GLU  13  10.132   1.240  -3.218
  115    H    CYS  14           H        CYS  14   7.540  -0.715   0.294
  116    HA   CYS  14           HA       CYS  14   4.858  -1.023  -0.391
  117    HB2  CYS  14          2HB       CYS  14   6.131  -2.383   1.986
  118    HB3  CYS  14          1HB       CYS  14   4.904  -3.019   0.894
  119    H    ARG  15           H        ARG  15   6.193  -0.362   2.855
  120    HA   ARG  15           HA       ARG  15   3.618  -0.160   4.052
  121    HB2  ARG  15          1HB       ARG  15   6.324   0.659   5.139
  122    HB3  ARG  15          2HB       ARG  15   4.843   0.534   6.083
  123    HG2  ARG  15          1HG       ARG  15   4.724  -1.877   5.494
  124    HG3  ARG  15          2HG       ARG  15   6.287  -1.719   4.690
  125    HD2  ARG  15          1HD       ARG  15   6.606  -2.608   6.917
  126    HD3  ARG  15          2HD       ARG  15   7.280  -0.981   6.827
  127    HE   ARG  15           HE       ARG  15   4.877  -0.435   7.799
  128   HH11  ARG  15          1HH1      ARG  15   7.059  -3.041   8.700
  129   HH12  ARG  15          2HH1      ARG  15   6.536  -3.059  10.357
  130   HH21  ARG  15          1HH2      ARG  15   4.200  -0.482   9.989
  131   HH22  ARG  15          2HH2      ARG  15   4.931  -1.615  11.084
  132    H    LYS  16           H        LYS  16   5.951   2.231   2.871
  133    HA   LYS  16           HA       LYS  16   4.571   4.489   3.905
  134    HB2  LYS  16          1HB       LYS  16   6.601   4.168   1.700
  135    HB3  LYS  16          2HB       LYS  16   5.878   5.732   2.065
  136    HG2  LYS  16          1HG       LYS  16   7.458   4.024   3.991
  137    HG3  LYS  16          2HG       LYS  16   8.044   5.469   3.161
  138    HD2  LYS  16          1HD       LYS  16   6.316   6.811   4.293
  139    HD3  LYS  16          2HD       LYS  16   5.746   5.366   5.127
  140    HE2  LYS  16          1HE       LYS  16   7.874   5.151   6.278
  141    HE3  LYS  16          2HE       LYS  16   8.524   6.527   5.385
  142    HZ1  LYS  16          1HZ       LYS  16   7.820   7.187   7.588
  143    HZ2  LYS  16          2HZ       LYS  16   6.254   6.615   7.299
  144    HZ3  LYS  16          3HZ       LYS  16   6.848   7.936   6.424
  145    H    TYR  17           H        TYR  17   4.449   2.809   0.787
  146    HA   TYR  17           HA       TYR  17   2.623   4.494  -0.502
  147    HB2  TYR  17          2HB       TYR  17   3.852   2.709  -1.667
  148    HB3  TYR  17          1HB       TYR  17   2.957   1.490  -0.774
  149    HD1  TYR  17          1HD       TYR  17   0.886   0.697  -1.569
  150    HD2  TYR  17          2HD       TYR  17   2.559   4.229  -3.270
  151    HE1  TYR  17          1HE       TYR  17  -0.833   0.656  -3.326
  152    HE2  TYR  17          2HE       TYR  17   0.845   4.191  -5.032
  153    HH   TYR  17           HH       TYR  17  -0.643   2.575  -6.124
  154    H    ALA  18           H        ALA  18   2.056   1.563   1.447
  155    HA   ALA  18           HA       ALA  18  -0.746   1.603   1.412
  156    HB1  ALA  18          1HB       ALA  18  -0.617   0.196   3.411
  157    HB2  ALA  18          2HB       ALA  18   1.080   0.627   3.612
  158    HB3  ALA  18          3HB       ALA  18   0.568  -0.302   2.207
  159    H    GLU  19           H        GLU  19   1.523   3.069   3.704
  160    HA   GLU  19           HA       GLU  19  -0.321   4.073   5.545
  161    HB2  GLU  19          1HB       GLU  19   2.075   3.904   6.005
  162    HB3  GLU  19          2HB       GLU  19   2.417   5.124   4.786
  163    HG2  GLU  19          1HG       GLU  19   1.187   6.782   6.124
  164    HG3  GLU  19          2HG       GLU  19   0.887   5.550   7.348
  165    H    GLU  20           H        GLU  20   1.286   5.745   2.851
  166    HA   GLU  20           HA       GLU  20   0.009   8.223   3.251
  167    HB2  GLU  20          1HB       GLU  20   1.346   7.076   0.785
  168    HB3  GLU  20          2HB       GLU  20   0.859   8.759   0.959
  169    HG2  GLU  20          1HG       GLU  20   2.362   8.982   2.891
  170    HG3  GLU  20          2HG       GLU  20   2.861   7.306   2.686
  171    H    LEU  21           H        LEU  21  -0.756   5.486   1.147
  172    HA   LEU  21           HA       LEU  21  -2.933   6.649  -0.210
  173    HB2  LEU  21          1HB       LEU  21  -1.657   4.428  -0.644
  174    HB3  LEU  21          2HB       LEU  21  -2.777   3.719   0.499
  175    HG   LEU  21           HG       LEU  21  -3.611   5.105  -2.065
  176   HD11  LEU  21          1HD1      LEU  21  -4.033   2.872  -2.957
  177   HD12  LEU  21          2HD1      LEU  21  -3.362   2.153  -1.492
  178   HD13  LEU  21          3HD1      LEU  21  -2.327   3.099  -2.564
  179   HD21  LEU  21          1HD2      LEU  21  -5.196   3.396  -0.138
  180   HD22  LEU  21          2HD2      LEU  21  -5.783   4.029  -1.678
  181   HD23  LEU  21          3HD2      LEU  21  -5.362   5.135  -0.372
  182    H    SER  22           H        SER  22  -2.792   4.703   2.760
  183    HA   SER  22           HA       SER  22  -5.580   4.582   3.182
  184    HB2  SER  22          1HB       SER  22  -3.953   3.008   4.199
  185    HB3  SER  22          2HB       SER  22  -3.349   4.312   5.224
  186    HG   SER  22           HG       SER  22  -5.429   4.449   6.152
  187    H    ARG  23           H        ARG  23  -3.118   6.896   4.263
  188    HA   ARG  23           HA       ARG  23  -4.966   8.268   6.000
  189    HB2  ARG  23          1HB       ARG  23  -3.189   9.845   6.432
  190    HB3  ARG  23          2HB       ARG  23  -2.533   8.215   6.489
  191    HG2  ARG  23          1HG       ARG  23  -1.659   8.519   4.204
  192    HG3  ARG  23          2HG       ARG  23  -2.257  10.181   4.221
  193    HD2  ARG  23          1HD       ARG  23  -0.224   9.011   6.128
  194    HD3  ARG  23          2HD       ARG  23   0.138  10.062   4.761
  195    HE   ARG  23           HE       ARG  23  -1.722  11.314   6.498
  196   HH11  ARG  23          1HH1      ARG  23   1.671  10.471   6.269
  197   HH12  ARG  23          2HH1      ARG  23   2.191  11.768   7.305
  198   HH21  ARG  23          1HH2      ARG  23  -1.030  13.009   7.882
  199   HH22  ARG  23          2HH2      ARG  23   0.663  13.202   8.212
  200    H    ARG  24           H        ARG  24  -3.940   8.537   2.661
  201    HA   ARG  24           HA       ARG  24  -5.082  11.136   2.254
  202    HB2  ARG  24          1HB       ARG  24  -3.352  10.150   0.738
  203    HB3  ARG  24          2HB       ARG  24  -4.550   8.982   0.186
  204    HG2  ARG  24          1HG       ARG  24  -5.962  10.880  -0.593
  205    HG3  ARG  24          2HG       ARG  24  -4.656  11.981  -0.154
  206    HD2  ARG  24          1HD       ARG  24  -4.501  11.573  -2.498
  207    HD3  ARG  24          2HD       ARG  24  -3.173  10.716  -1.722
  208    HE   ARG  24           HE       ARG  24  -4.104   8.713  -2.363
  209   HH11  ARG  24          1HH1      ARG  24  -6.403  11.296  -2.932
  210   HH12  ARG  24          2HH1      ARG  24  -7.478  10.306  -3.864
  211   HH21  ARG  24          1HH2      ARG  24  -5.510   7.412  -3.602
  212   HH22  ARG  24          2HH2      ARG  24  -6.964   8.099  -4.259
  213    H    THR  25           H        THR  25  -6.154   7.832   1.482
  214    HA   THR  25           HA       THR  25  -8.921   8.828   1.253
  215    HB   THR  25           HB       THR  25  -7.689   6.518  -0.284
  216    HG1  THR  25          1HG       THR  25  -8.292   9.208  -0.984
  217   HG21  THR  25          1HG2      THR  25 -10.084   6.196   0.145
  218   HG22  THR  25          2HG2      THR  25  -9.797   6.552  -1.559
  219   HG23  THR  25          3HG2      THR  25 -10.420   7.808  -0.490
  220    H    GLY  26           H        GLY  26 -10.313   7.972   2.649
  221    HA2  GLY  26          1HA       GLY  26  -9.440   6.057   4.595
  222    HA3  GLY  26          2HA       GLY  26 -11.029   6.797   4.491
  223    H    CYS  27           H        CYS  27  -8.987   4.284   3.108
  224    HA   CYS  27           HA       CYS  27 -11.358   2.574   2.843
  225    HB2  CYS  27          2HB       CYS  27  -9.223   2.982   0.733
  226    HB3  CYS  27          1HB       CYS  27 -10.388   1.665   0.703
  227    H    GLU  28           H        GLU  28 -10.453   0.201   2.257
  228    HA   GLU  28           HA       GLU  28  -8.211  -0.268   4.099
  229    HB2  GLU  28          1HB       GLU  28  -9.188  -2.549   4.445
  230    HB3  GLU  28          2HB       GLU  28 -10.160  -1.238   5.081
  231    HG2  GLU  28          1HG       GLU  28 -10.735  -2.437   2.396
  232    HG3  GLU  28          2HG       GLU  28 -11.325  -3.184   3.873
  233    H    VAL  29           H        VAL  29  -6.493  -0.441   2.899
  234    HA   VAL  29           HA       VAL  29  -6.638  -1.920   0.350
  235    HB   VAL  29           HB       VAL  29  -4.692   0.283   1.092
  236   HG11  VAL  29          1HG1      VAL  29  -3.792  -1.280  -0.552
  237   HG12  VAL  29          2HG1      VAL  29  -4.125   0.281  -1.299
  238   HG13  VAL  29          3HG1      VAL  29  -5.226  -1.073  -1.559
  239   HG21  VAL  29          1HG2      VAL  29  -5.958   1.723  -0.437
  240   HG22  VAL  29          2HG2      VAL  29  -6.952   1.187   0.916
  241   HG23  VAL  29          3HG2      VAL  29  -7.144   0.441  -0.664
  242    H    GLU  30           H        GLU  30  -5.204  -3.506  -0.015
  243    HA   GLU  30           HA       GLU  30  -3.096  -3.993   1.987
  244    HB2  GLU  30          1HB       GLU  30  -4.786  -5.794   1.873
  245    HB3  GLU  30          2HB       GLU  30  -4.487  -5.969   0.149
  246    HG2  GLU  30          1HG       GLU  30  -3.372  -7.718   1.406
  247    HG3  GLU  30          2HG       GLU  30  -2.195  -6.677   0.607
  248    H    VAL  31           H        VAL  31  -1.016  -4.163   1.258
  249    HA   VAL  31           HA       VAL  31  -0.605  -3.708  -1.631
  250    HB   VAL  31           HB       VAL  31   1.087  -2.603   0.630
  251   HG11  VAL  31          1HG1      VAL  31   2.240  -1.333  -1.128
  252   HG12  VAL  31          2HG1      VAL  31   1.258  -2.129  -2.357
  253   HG13  VAL  31          3HG1      VAL  31   2.392  -3.070  -1.390
  254   HG21  VAL  31          1HG2      VAL  31  -1.094  -1.491   0.510
  255   HG22  VAL  31          2HG2      VAL  31  -0.847  -1.173  -1.208
  256   HG23  VAL  31          3HG2      VAL  31   0.198  -0.408  -0.011
  257    H    GLU  32           H        GLU  32   0.404  -5.300  -2.577
  258    HA   GLU  32           HA       GLU  32   2.288  -6.966  -1.041
  259    HB2  GLU  32          1HB       GLU  32   1.784  -8.708  -2.820
  260    HB3  GLU  32          2HB       GLU  32   0.465  -8.339  -1.719
  261    HG2  GLU  32          1HG       GLU  32  -0.455  -6.798  -3.473
  262    HG3  GLU  32          2HG       GLU  32   0.778  -7.414  -4.570
  263    H    CYS  33           H        CYS  33   4.340  -6.592  -1.540
  264    HA   CYS  33           HA       CYS  33   4.926  -5.374  -4.157
  265    HB2  CYS  33          2HB       CYS  33   6.914  -4.349  -2.912
  266    HB3  CYS  33          1HB       CYS  33   5.315  -3.716  -2.532
  267    H    GLU  34           H        GLU  34   6.627  -6.041  -5.322
  268    HA   GLU  34           HA       GLU  34   8.048  -8.468  -4.437
  269    HB2  GLU  34          1HB       GLU  34   7.564  -7.536  -7.285
  270    HB3  GLU  34          2HB       GLU  34   8.201  -9.092  -6.774
  271    HG2  GLU  34          1HG       GLU  34   5.407  -8.128  -6.178
  272    HG3  GLU  34          2HG       GLU  34   5.835  -9.131  -7.560
  273    H    THR  35           H        THR  35  10.225  -8.592  -5.820
  274    HA   THR  35           HA       THR  35  11.609  -6.074  -5.289
  275    HB   THR  35           HB       THR  35  12.652  -7.986  -4.279
  276    HG1  THR  35          1HG       THR  35  14.144  -7.172  -6.571
  277   HG21  THR  35          1HG2      THR  35  13.527  -9.890  -5.560
  278   HG22  THR  35          2HG2      THR  35  12.820  -9.228  -7.034
  279   HG23  THR  35          3HG2      THR  35  11.774  -9.765  -5.720
  Start of MODEL   12
    1    H1   CYS   1          1H        CYS   1 -15.842   0.773   1.719
    2    H2   CYS   1          2H        CYS   1 -14.539   0.598   2.781
    3    H3   CYS   1          3H        CYS   1 -15.074  -0.725   1.877
    4    HA   CYS   1           HA       CYS   1 -14.394   0.316  -0.156
    5    HB2  CYS   1          2HB       CYS   1 -14.807   2.634   0.595
    6    HB3  CYS   1          1HB       CYS   1 -13.405   2.538   1.649
    7    H    LYS   2           H        LYS   2 -13.040  -1.316  -0.401
    8    HA   LYS   2           HA       LYS   2 -10.368  -1.136   0.777
    9    HB2  LYS   2          1HB       LYS   2 -11.502  -2.676   2.271
   10    HB3  LYS   2          2HB       LYS   2 -12.113  -3.613   0.913
   11    HG2  LYS   2          1HG       LYS   2  -9.805  -4.227   0.316
   12    HG3  LYS   2          2HG       LYS   2  -9.215  -3.322   1.709
   13    HD2  LYS   2          1HD       LYS   2 -11.093  -5.692   1.846
   14    HD3  LYS   2          2HD       LYS   2  -9.351  -5.766   2.109
   15    HE2  LYS   2          1HE       LYS   2  -9.655  -4.112   3.978
   16    HE3  LYS   2          2HE       LYS   2 -11.396  -4.298   3.775
   17    HZ1  LYS   2          1HZ       LYS   2 -10.511  -5.718   5.533
   18    HZ2  LYS   2          2HZ       LYS   2  -9.505  -6.496   4.422
   19    HZ3  LYS   2          3HZ       LYS   2 -11.186  -6.637   4.286
   20    H    GLN   3           H        GLN   3  -8.754  -1.922  -0.520
   21    HA   GLN   3           HA       GLN   3  -9.389  -3.533  -2.864
   22    HB2  GLN   3          1HB       GLN   3  -8.374  -2.006  -4.461
   23    HB3  GLN   3          2HB       GLN   3  -9.706  -1.195  -3.645
   24    HG2  GLN   3          1HG       GLN   3  -8.122  -0.030  -2.194
   25    HG3  GLN   3          2HG       GLN   3  -6.781  -0.862  -2.980
   26   HE21  GLN   3          1HE2      GLN   3  -8.522   2.376  -4.684
   27   HE22  GLN   3          2HE2      GLN   3  -9.208   1.604  -3.291
   28    H    ARG   4           H        ARG   4  -7.351  -4.244  -3.978
   29    HA   ARG   4           HA       ARG   4  -4.972  -3.934  -2.276
   30    HB2  ARG   4          1HB       ARG   4  -4.257  -6.247  -2.969
   31    HB3  ARG   4          2HB       ARG   4  -5.608  -6.182  -1.852
   32    HG2  ARG   4          1HG       ARG   4  -6.141  -6.390  -4.783
   33    HG3  ARG   4          2HG       ARG   4  -5.634  -7.822  -3.882
   34    HD2  ARG   4          1HD       ARG   4  -8.043  -6.087  -3.333
   35    HD3  ARG   4          2HD       ARG   4  -8.039  -7.742  -3.946
   36    HE   ARG   4           HE       ARG   4  -6.696  -7.885  -1.561
   37   HH11  ARG   4          1HH1      ARG   4  -9.868  -6.779  -2.560
   38   HH12  ARG   4          2HH1      ARG   4 -10.625  -7.208  -1.058
   39   HH21  ARG   4          1HH2      ARG   4  -7.678  -8.429   0.419
   40   HH22  ARG   4          2HH2      ARG   4  -9.375  -8.138   0.650
   41    H    ARG   5           H        ARG   5  -3.032  -3.767  -3.265
   42    HA   ARG   5           HA       ARG   5  -2.935  -3.699  -6.200
   43    HB2  ARG   5          1HB       ARG   5  -1.848  -1.549  -4.347
   44    HB3  ARG   5          2HB       ARG   5  -1.561  -1.625  -6.079
   45    HG2  ARG   5          1HG       ARG   5  -4.282  -1.315  -4.812
   46    HG3  ARG   5          2HG       ARG   5  -3.294   0.021  -5.406
   47    HD2  ARG   5          1HD       ARG   5  -3.354  -0.938  -7.662
   48    HD3  ARG   5          2HD       ARG   5  -4.332  -2.282  -7.067
   49    HE   ARG   5           HE       ARG   5  -6.022  -0.528  -6.464
   50   HH11  ARG   5          1HH1      ARG   5  -3.745   0.007  -9.081
   51   HH12  ARG   5          2HH1      ARG   5  -4.776   1.131  -9.901
   52   HH21  ARG   5          1HH2      ARG   5  -7.366   0.933  -7.559
   53   HH22  ARG   5          2HH2      ARG   5  -6.821   1.671  -9.031
   54    H    ARG   6           H        ARG   6  -0.802  -4.140  -7.023
   55    HA   ARG   6           HA       ARG   6   1.054  -5.117  -4.959
   56    HB2  ARG   6          1HB       ARG   6   1.976  -6.686  -6.560
   57    HB3  ARG   6          2HB       ARG   6   0.247  -6.933  -6.387
   58    HG2  ARG   6          1HG       ARG   6  -0.160  -5.859  -8.513
   59    HG3  ARG   6          2HG       ARG   6   1.556  -5.471  -8.675
   60    HD2  ARG   6          1HD       ARG   6   2.075  -7.889  -8.618
   61    HD3  ARG   6          2HD       ARG   6   0.348  -8.235  -8.551
   62    HE   ARG   6           HE       ARG   6   0.196  -7.158 -10.780
   63   HH11  ARG   6          1HH1      ARG   6   3.295  -8.380  -9.670
   64   HH12  ARG   6          2HH1      ARG   6   3.876  -8.715 -11.272
   65   HH21  ARG   6          1HH2      ARG   6   0.975  -7.596 -12.895
   66   HH22  ARG   6          2HH2      ARG   6   2.577  -8.237 -13.105
   67    H    TYR   7           H        TYR   7   2.972  -4.291  -4.811
   68    HA   TYR   7           HA       TYR   7   3.692  -2.085  -6.640
   69    HB2  TYR   7          2HB       TYR   7   2.948  -1.469  -4.306
   70    HB3  TYR   7          1HB       TYR   7   4.298  -2.396  -3.674
   71    HD1  TYR   7          1HD       TYR   7   6.437  -1.402  -3.453
   72    HD2  TYR   7          2HD       TYR   7   3.428   0.569  -5.734
   73    HE1  TYR   7          1HE       TYR   7   7.839   0.614  -3.549
   74    HE2  TYR   7          2HE       TYR   7   4.827   2.588  -5.839
   75    HH   TYR   7           HH       TYR   7   8.118   2.606  -4.907
   76    H    ARG   8           H        ARG   8   6.128  -1.654  -6.627
   77    HA   ARG   8           HA       ARG   8   7.694  -4.046  -5.976
   78    HB2  ARG   8          1HB       ARG   8   8.981  -3.885  -8.038
   79    HB3  ARG   8          2HB       ARG   8   7.279  -4.112  -8.398
   80    HG2  ARG   8          1HG       ARG   8   7.060  -1.735  -8.922
   81    HG3  ARG   8          2HG       ARG   8   8.771  -1.495  -8.548
   82    HD2  ARG   8          1HD       ARG   8   9.347  -3.115 -10.333
   83    HD3  ARG   8          2HD       ARG   8   7.636  -3.245 -10.735
   84    HE   ARG   8           HE       ARG   8   9.070  -0.672 -10.912
   85   HH11  ARG   8          1HH1      ARG   8   7.034  -3.150 -12.325
   86   HH12  ARG   8          2HH1      ARG   8   6.837  -2.310 -13.834
   87   HH21  ARG   8          1HH2      ARG   8   8.784   0.459 -12.893
   88   HH22  ARG   8          2HH2      ARG   8   7.816  -0.251 -14.147
   89    H    GLY   9           H        GLY   9   9.398  -3.617  -4.782
   90    HA2  GLY   9          1HA       GLY   9  11.274  -1.699  -4.850
   91    HA3  GLY   9          2HA       GLY   9   9.934  -0.830  -4.113
   92    H    SER  10           H        SER  10  11.452  -0.616  -2.302
   93    HA   SER  10           HA       SER  10  12.096  -3.025  -0.807
   94    HB2  SER  10          1HB       SER  10  13.307  -1.417   0.681
   95    HB3  SER  10          2HB       SER  10  13.820  -1.331  -1.004
   96    HG   SER  10           HG       SER  10  13.433   0.745   0.010
   97    H    GLU  11           H        GLU  11  11.825  -2.865   1.644
   98    HA   GLU  11           HA       GLU  11   9.239  -2.909   2.523
   99    HB2  GLU  11          1HB       GLU  11  11.718  -2.079   4.052
  100    HB3  GLU  11          2HB       GLU  11  10.175  -2.424   4.816
  101    HG2  GLU  11          1HG       GLU  11  11.729  -4.403   3.164
  102    HG3  GLU  11          2HG       GLU  11  11.819  -4.282   4.920
  103    H    GLU  12           H        GLU  12  11.458  -0.159   2.679
  104    HA   GLU  12           HA       GLU  12   9.887   1.700   3.981
  105    HB2  GLU  12          1HB       GLU  12  12.243   2.063   3.522
  106    HB3  GLU  12          2HB       GLU  12  11.937   2.097   1.792
  107    HG2  GLU  12          1HG       GLU  12  10.576   4.147   2.117
  108    HG3  GLU  12          2HG       GLU  12  11.027   4.130   3.823
  109    H    GLU  13           H        GLU  13  10.391   1.606   0.462
  110    HA   GLU  13           HA       GLU  13   8.466   3.410  -0.322
  111    HB2  GLU  13          1HB       GLU  13   9.428   0.906  -1.727
  112    HB3  GLU  13          2HB       GLU  13   8.490   2.171  -2.507
  113    HG2  GLU  13          1HG       GLU  13  11.135   2.707  -1.182
  114    HG3  GLU  13          2HG       GLU  13  10.996   2.210  -2.867
  115    H    CYS  14           H        CYS  14   8.137  -0.068   0.148
  116    HA   CYS  14           HA       CYS  14   5.546  -0.379  -0.862
  117    HB2  CYS  14          2HB       CYS  14   7.106  -2.242  -0.510
  118    HB3  CYS  14          1HB       CYS  14   7.004  -2.013   1.232
  119    H    ARG  15           H        ARG  15   6.588  -0.209   2.550
  120    HA   ARG  15           HA       ARG  15   3.927  -0.398   3.512
  121    HB2  ARG  15          1HB       ARG  15   6.447   0.378   4.982
  122    HB3  ARG  15          2HB       ARG  15   4.909  -0.059   5.732
  123    HG2  ARG  15          1HG       ARG  15   5.064  -2.264   4.534
  124    HG3  ARG  15          2HG       ARG  15   6.704  -1.817   4.069
  125    HD2  ARG  15          1HD       ARG  15   7.276  -1.608   6.470
  126    HD3  ARG  15          2HD       ARG  15   5.653  -2.186   6.871
  127    HE   ARG  15           HE       ARG  15   7.577  -3.757   5.291
  128   HH11  ARG  15          1HH1      ARG  15   5.170  -3.563   7.828
  129   HH12  ARG  15          2HH1      ARG  15   5.186  -5.270   8.135
  130   HH21  ARG  15          1HH2      ARG  15   7.606  -5.975   5.694
  131   HH22  ARG  15          2HH2      ARG  15   6.563  -6.651   6.909
  132    H    LYS  16           H        LYS  16   6.179   2.305   3.053
  133    HA   LYS  16           HA       LYS  16   4.692   4.348   4.150
  134    HB2  LYS  16          1HB       LYS  16   7.075   4.277   3.085
  135    HB3  LYS  16          2HB       LYS  16   6.238   4.638   1.580
  136    HG2  LYS  16          1HG       LYS  16   5.324   6.648   2.574
  137    HG3  LYS  16          2HG       LYS  16   6.148   6.267   4.082
  138    HD2  LYS  16          1HD       LYS  16   8.306   6.531   3.045
  139    HD3  LYS  16          2HD       LYS  16   7.570   6.703   1.451
  140    HE2  LYS  16          1HE       LYS  16   7.145   8.618   3.747
  141    HE3  LYS  16          2HE       LYS  16   8.321   8.855   2.456
  142    HZ1  LYS  16          1HZ       LYS  16   5.375   8.664   2.115
  143    HZ2  LYS  16          2HZ       LYS  16   6.490   8.846   0.860
  144    HZ3  LYS  16          3HZ       LYS  16   6.302  10.072   2.009
  145    H    TYR  17           H        TYR  17   4.703   3.092   0.813
  146    HA   TYR  17           HA       TYR  17   2.700   4.702  -0.261
  147    HB2  TYR  17          2HB       TYR  17   4.171   3.226  -1.596
  148    HB3  TYR  17          1HB       TYR  17   3.357   1.815  -0.934
  149    HD1  TYR  17          1HD       TYR  17   1.454   0.935  -2.010
  150    HD2  TYR  17          2HD       TYR  17   2.765   4.872  -2.987
  151    HE1  TYR  17          1HE       TYR  17  -0.156   1.005  -3.868
  152    HE2  TYR  17          2HE       TYR  17   1.157   4.950  -4.847
  153    HH   TYR  17           HH       TYR  17  -0.045   3.317  -6.315
  154    H    ALA  18           H        ALA  18   2.475   1.608   1.446
  155    HA   ALA  18           HA       ALA  18  -0.262   1.135   1.151
  156    HB1  ALA  18          1HB       ALA  18  -0.045  -0.320   3.120
  157    HB2  ALA  18          2HB       ALA  18   1.541   0.376   3.454
  158    HB3  ALA  18          3HB       ALA  18   1.279  -0.555   1.980
  159    H    GLU  19           H        GLU  19   1.364   2.592   4.002
  160    HA   GLU  19           HA       GLU  19  -1.026   3.112   5.388
  161    HB2  GLU  19          1HB       GLU  19   0.339   4.590   6.834
  162    HB3  GLU  19          2HB       GLU  19   1.088   3.022   6.572
  163    HG2  GLU  19          1HG       GLU  19   2.696   3.933   5.083
  164    HG3  GLU  19          2HG       GLU  19   1.835   5.467   4.985
  165    H    GLU  20           H        GLU  20   0.935   5.191   3.275
  166    HA   GLU  20           HA       GLU  20  -0.531   7.555   3.819
  167    HB2  GLU  20          1HB       GLU  20   1.184   6.898   1.411
  168    HB3  GLU  20          2HB       GLU  20   0.639   8.506   1.880
  169    HG2  GLU  20          1HG       GLU  20   1.864   8.257   4.016
  170    HG3  GLU  20          2HG       GLU  20   2.487   6.711   3.447
  171    H    LEU  21           H        LEU  21  -0.715   5.169   1.182
  172    HA   LEU  21           HA       LEU  21  -2.755   6.413  -0.289
  173    HB2  LEU  21          1HB       LEU  21  -1.339   4.414  -0.970
  174    HB3  LEU  21          2HB       LEU  21  -2.384   3.427   0.027
  175    HG   LEU  21           HG       LEU  21  -3.397   5.054  -2.321
  176   HD11  LEU  21          1HD1      LEU  21  -2.590   2.144  -2.244
  177   HD12  LEU  21          2HD1      LEU  21  -1.780   3.434  -3.133
  178   HD13  LEU  21          3HD1      LEU  21  -3.414   2.949  -3.583
  179   HD21  LEU  21          1HD2      LEU  21  -5.128   4.451  -0.708
  180   HD22  LEU  21          2HD2      LEU  21  -4.628   2.761  -0.778
  181   HD23  LEU  21          3HD2      LEU  21  -5.328   3.532  -2.199
  182    H    SER  22           H        SER  22  -2.867   4.101   2.389
  183    HA   SER  22           HA       SER  22  -5.605   3.622   2.471
  184    HB2  SER  22          1HB       SER  22  -3.921   2.353   3.776
  185    HB3  SER  22          2HB       SER  22  -3.682   3.754   4.815
  186    HG   SER  22           HG       SER  22  -6.312   2.916   4.556
  187    H    ARG  23           H        ARG  23  -3.767   5.963   4.467
  188    HA   ARG  23           HA       ARG  23  -6.102   7.057   5.648
  189    HB2  ARG  23          1HB       ARG  23  -4.644   8.753   6.594
  190    HB3  ARG  23          2HB       ARG  23  -3.878   7.175   6.704
  191    HG2  ARG  23          1HG       ARG  23  -2.537   7.735   4.694
  192    HG3  ARG  23          2HG       ARG  23  -3.243   9.353   4.719
  193    HD2  ARG  23          1HD       ARG  23  -1.057   9.357   5.785
  194    HD3  ARG  23          2HD       ARG  23  -2.321   9.719   6.962
  195    HE   ARG  23           HE       ARG  23  -2.134   7.324   7.640
  196   HH11  ARG  23          1HH1      ARG  23   0.570   8.941   6.101
  197   HH12  ARG  23          2HH1      ARG  23   1.751   7.881   6.810
  198   HH21  ARG  23          1HH2      ARG  23  -0.561   5.950   8.573
  199   HH22  ARG  23          2HH2      ARG  23   1.119   6.214   8.215
  200    H    ARG  24           H        ARG  24  -4.209   7.994   2.821
  201    HA   ARG  24           HA       ARG  24  -5.342  10.571   2.516
  202    HB2  ARG  24          1HB       ARG  24  -3.317  10.341   1.409
  203    HB3  ARG  24          2HB       ARG  24  -3.708   8.743   0.798
  204    HG2  ARG  24          1HG       ARG  24  -5.322  11.003  -0.258
  205    HG3  ARG  24          2HG       ARG  24  -3.628  10.927  -0.751
  206    HD2  ARG  24          1HD       ARG  24  -3.951   8.655  -1.573
  207    HD3  ARG  24          2HD       ARG  24  -5.623   8.671  -1.020
  208    HE   ARG  24           HE       ARG  24  -6.092  10.343  -2.710
  209   HH11  ARG  24          1HH1      ARG  24  -2.974   8.775  -3.002
  210   HH12  ARG  24          2HH1      ARG  24  -2.893   8.975  -4.720
  211   HH21  ARG  24          1HH2      ARG  24  -5.990  10.585  -4.971
  212   HH22  ARG  24          2HH2      ARG  24  -4.610   9.989  -5.838
  213    H    THR  25           H        THR  25  -6.143   7.414   1.141
  214    HA   THR  25           HA       THR  25  -8.260   8.463  -0.503
  215    HB   THR  25           HB       THR  25  -7.723   5.570   0.239
  216    HG1  THR  25          1HG       THR  25  -5.916   6.003  -0.813
  217   HG21  THR  25          1HG2      THR  25  -9.919   5.945  -0.798
  218   HG22  THR  25          2HG2      THR  25  -8.845   5.079  -1.896
  219   HG23  THR  25          3HG2      THR  25  -9.147   6.801  -2.133
  220    H    GLY  26           H        GLY  26  -7.953   7.439   2.761
  221    HA2  GLY  26          1HA       GLY  26  -9.495   7.305   4.475
  222    HA3  GLY  26          2HA       GLY  26 -10.708   7.935   3.364
  223    H    CYS  27           H        CYS  27  -8.810   5.159   2.589
  224    HA   CYS  27           HA       CYS  27 -11.113   3.372   3.026
  225    HB2  CYS  27          2HB       CYS  27  -9.380   3.573   0.547
  226    HB3  CYS  27          1HB       CYS  27 -10.493   2.247   0.858
  227    H    GLU  28           H        GLU  28 -10.107   1.027   2.270
  228    HA   GLU  28           HA       GLU  28  -7.674   0.681   3.893
  229    HB2  GLU  28          1HB       GLU  28  -9.682  -0.399   4.841
  230    HB3  GLU  28          2HB       GLU  28  -9.916  -1.291   3.344
  231    HG2  GLU  28          1HG       GLU  28  -8.901  -2.680   5.071
  232    HG3  GLU  28          2HG       GLU  28  -7.826  -2.473   3.690
  233    H    VAL  29           H        VAL  29  -5.955  -0.300   2.977
  234    HA   VAL  29           HA       VAL  29  -6.253  -1.288   0.221
  235    HB   VAL  29           HB       VAL  29  -5.373   1.016   0.159
  236   HG11  VAL  29          1HG1      VAL  29  -3.142   1.527   1.031
  237   HG12  VAL  29          2HG1      VAL  29  -3.055  -0.078   1.759
  238   HG13  VAL  29          3HG1      VAL  29  -4.258   1.084   2.321
  239   HG21  VAL  29          1HG2      VAL  29  -4.726  -0.571  -1.587
  240   HG22  VAL  29          2HG2      VAL  29  -3.331  -1.073  -0.633
  241   HG23  VAL  29          3HG2      VAL  29  -3.424   0.573  -1.260
  242    H    GLU  30           H        GLU  30  -5.159  -3.052  -0.261
  243    HA   GLU  30           HA       GLU  30  -3.405  -4.249   1.783
  244    HB2  GLU  30          1HB       GLU  30  -5.502  -5.482   1.435
  245    HB3  GLU  30          2HB       GLU  30  -5.206  -5.539  -0.294
  246    HG2  GLU  30          1HG       GLU  30  -3.268  -6.978   0.072
  247    HG3  GLU  30          2HG       GLU  30  -3.535  -6.897   1.815
  248    H    VAL  31           H        VAL  31  -1.311  -4.248   1.162
  249    HA   VAL  31           HA       VAL  31  -0.757  -3.922  -1.719
  250    HB   VAL  31           HB       VAL  31   0.874  -2.858   0.604
  251   HG11  VAL  31          1HG1      VAL  31   1.221  -2.457  -2.375
  252   HG12  VAL  31          2HG1      VAL  31   2.267  -3.416  -1.325
  253   HG13  VAL  31          3HG1      VAL  31   2.166  -1.668  -1.110
  254   HG21  VAL  31          1HG2      VAL  31  -0.903  -1.397  -1.357
  255   HG22  VAL  31          2HG2      VAL  31   0.129  -0.642  -0.142
  256   HG23  VAL  31          3HG2      VAL  31  -1.230  -1.649   0.359
  257    H    GLU  32           H        GLU  32   0.306  -5.464  -2.643
  258    HA   GLU  32           HA       GLU  32   2.020  -7.267  -1.058
  259    HB2  GLU  32          1HB       GLU  32   0.614  -7.778  -3.704
  260    HB3  GLU  32          2HB       GLU  32   1.552  -8.948  -2.788
  261    HG2  GLU  32          1HG       GLU  32  -0.070  -8.923  -0.998
  262    HG3  GLU  32          2HG       GLU  32  -0.970  -7.632  -1.786
  263    H    CYS  33           H        CYS  33   4.169  -7.022  -1.484
  264    HA   CYS  33           HA       CYS  33   4.830  -5.350  -3.817
  265    HB2  CYS  33          2HB       CYS  33   6.065  -5.387  -1.061
  266    HB3  CYS  33          1HB       CYS  33   6.717  -4.475  -2.422
  267    H    GLU  34           H        GLU  34   6.612  -5.726  -4.993
  268    HA   GLU  34           HA       GLU  34   7.995  -8.295  -4.629
  269    HB2  GLU  34          1HB       GLU  34   6.911  -7.252  -7.266
  270    HB3  GLU  34          2HB       GLU  34   7.666  -8.815  -6.978
  271    HG2  GLU  34          1HG       GLU  34   5.794  -9.534  -5.649
  272    HG3  GLU  34          2HG       GLU  34   5.064  -7.933  -5.735
  273    H    THR  35           H        THR  35   9.779  -8.353  -6.484
  274    HA   THR  35           HA       THR  35  10.912  -5.722  -7.040
  275    HB   THR  35           HB       THR  35  12.529  -7.898  -5.673
  276    HG1  THR  35          1HG       THR  35  11.016  -5.845  -4.687
  277   HG21  THR  35          1HG2      THR  35  14.311  -6.193  -5.594
  278   HG22  THR  35          2HG2      THR  35  13.288  -5.087  -6.510
  279   HG23  THR  35          3HG2      THR  35  13.864  -6.578  -7.255
  Start of MODEL   13
    1    H1   CYS   1          1H        CYS   1 -15.223  -2.386   0.839
    2    H2   CYS   1          2H        CYS   1 -15.982  -0.880   0.865
    3    H3   CYS   1          3H        CYS   1 -14.814  -1.256   2.024
    4    HA   CYS   1           HA       CYS   1 -14.360  -0.970  -0.881
    5    HB2  CYS   1          2HB       CYS   1 -14.811   1.140   0.336
    6    HB3  CYS   1          1HB       CYS   1 -13.462   0.787   1.400
    7    H    LYS   2           H        LYS   2 -13.302  -2.825  -1.084
    8    HA   LYS   2           HA       LYS   2 -10.953  -3.464   0.547
    9    HB2  LYS   2          1HB       LYS   2 -12.661  -4.952  -1.417
   10    HB3  LYS   2          2HB       LYS   2 -10.994  -5.469  -1.221
   11    HG2  LYS   2          1HG       LYS   2 -12.915  -5.206   1.085
   12    HG3  LYS   2          2HG       LYS   2 -12.689  -6.690   0.158
   13    HD2  LYS   2          1HD       LYS   2 -10.213  -6.493   0.702
   14    HD3  LYS   2          2HD       LYS   2 -10.669  -5.245   1.863
   15    HE2  LYS   2          1HE       LYS   2 -12.099  -6.847   3.035
   16    HE3  LYS   2          2HE       LYS   2 -11.684  -8.091   1.856
   17    HZ1  LYS   2          1HZ       LYS   2  -9.788  -6.749   3.703
   18    HZ2  LYS   2          2HZ       LYS   2  -9.370  -7.921   2.565
   19    HZ3  LYS   2          3HZ       LYS   2 -10.375  -8.326   3.864
   20    H    GLN   3           H        GLN   3  -9.176  -2.388  -0.057
   21    HA   GLN   3           HA       GLN   3  -8.594  -2.168  -2.940
   22    HB2  GLN   3          1HB       GLN   3  -7.805  -0.320  -0.691
   23    HB3  GLN   3          2HB       GLN   3  -7.153  -0.210  -2.318
   24    HG2  GLN   3          1HG       GLN   3 -10.075   0.022  -1.628
   25    HG3  GLN   3          2HG       GLN   3  -8.989   1.387  -1.882
   26   HE21  GLN   3          1HE2      GLN   3  -9.008   1.174  -5.367
   27   HE22  GLN   3          2HE2      GLN   3  -8.258   1.839  -3.960
   28    H    ARG   4           H        ARG   4  -6.880  -3.109  -3.655
   29    HA   ARG   4           HA       ARG   4  -4.609  -3.755  -1.974
   30    HB2  ARG   4          1HB       ARG   4  -4.617  -6.136  -2.503
   31    HB3  ARG   4          2HB       ARG   4  -6.104  -5.714  -1.671
   32    HG2  ARG   4          1HG       ARG   4  -5.864  -6.055  -4.663
   33    HG3  ARG   4          2HG       ARG   4  -6.389  -7.318  -3.553
   34    HD2  ARG   4          1HD       ARG   4  -8.323  -6.025  -2.910
   35    HD3  ARG   4          2HD       ARG   4  -7.764  -4.644  -3.854
   36    HE   ARG   4           HE       ARG   4  -8.104  -7.014  -5.433
   37   HH11  ARG   4          1HH1      ARG   4  -9.826  -4.315  -4.007
   38   HH12  ARG   4          2HH1      ARG   4 -11.050  -4.286  -5.230
   39   HH21  ARG   4          1HH2      ARG   4  -9.734  -7.015  -7.013
   40   HH22  ARG   4          2HH2      ARG   4 -11.012  -5.840  -6.936
   41    H    ARG   5           H        ARG   5  -2.833  -3.313  -3.110
   42    HA   ARG   5           HA       ARG   5  -2.974  -3.585  -6.050
   43    HB2  ARG   5          1HB       ARG   5  -1.950  -1.218  -4.478
   44    HB3  ARG   5          2HB       ARG   5  -1.479  -1.508  -6.149
   45    HG2  ARG   5          1HG       ARG   5  -4.294  -1.077  -5.142
   46    HG3  ARG   5          2HG       ARG   5  -3.315   0.082  -6.046
   47    HD2  ARG   5          1HD       ARG   5  -3.275  -1.421  -7.963
   48    HD3  ARG   5          2HD       ARG   5  -4.186  -2.629  -7.059
   49    HE   ARG   5           HE       ARG   5  -5.347   0.018  -7.615
   50   HH11  ARG   5          1HH1      ARG   5  -5.447  -3.473  -7.883
   51   HH12  ARG   5          2HH1      ARG   5  -7.030  -3.494  -8.599
   52   HH21  ARG   5          1HH2      ARG   5  -7.432  -0.025  -8.567
   53   HH22  ARG   5          2HH2      ARG   5  -8.159  -1.547  -8.973
   54    H    ARG   6           H        ARG   6  -0.766  -3.458  -7.057
   55    HA   ARG   6           HA       ARG   6   1.156  -4.966  -5.404
   56    HB2  ARG   6          1HB       ARG   6   1.867  -6.094  -7.501
   57    HB3  ARG   6          2HB       ARG   6   0.190  -6.426  -7.084
   58    HG2  ARG   6          1HG       ARG   6  -0.484  -4.647  -8.714
   59    HG3  ARG   6          2HG       ARG   6   1.205  -4.545  -9.211
   60    HD2  ARG   6          1HD       ARG   6  -0.554  -6.998  -9.370
   61    HD3  ARG   6          2HD       ARG   6  -0.071  -5.974 -10.723
   62    HE   ARG   6           HE       ARG   6   2.267  -6.842  -9.492
   63   HH11  ARG   6          1HH1      ARG   6  -0.449  -8.288 -11.175
   64   HH12  ARG   6          2HH1      ARG   6   0.476  -9.620 -11.793
   65   HH21  ARG   6          1HH2      ARG   6   3.488  -8.587 -10.321
   66   HH22  ARG   6          2HH2      ARG   6   2.707  -9.778 -11.318
   67    H    TYR   7           H        TYR   7   3.253  -4.348  -5.455
   68    HA   TYR   7           HA       TYR   7   4.141  -2.228  -7.258
   69    HB2  TYR   7          2HB       TYR   7   3.219  -1.013  -5.338
   70    HB3  TYR   7          1HB       TYR   7   4.142  -2.015  -4.227
   71    HD1  TYR   7          1HD       TYR   7   6.341  -1.404  -3.596
   72    HD2  TYR   7          2HD       TYR   7   4.489   0.547  -6.905
   73    HE1  TYR   7          1HE       TYR   7   8.172   0.234  -3.653
   74    HE2  TYR   7          2HE       TYR   7   6.318   2.187  -6.961
   75    HH   TYR   7           HH       TYR   7   7.996   3.116  -5.334
   76    H    ARG   8           H        ARG   8   6.438  -2.191  -7.453
   77    HA   ARG   8           HA       ARG   8   7.782  -4.492  -6.191
   78    HB2  ARG   8          1HB       ARG   8   9.251  -4.620  -8.128
   79    HB3  ARG   8          2HB       ARG   8   7.573  -4.755  -8.623
   80    HG2  ARG   8          1HG       ARG   8   7.605  -2.403  -9.347
   81    HG3  ARG   8          2HG       ARG   8   9.305  -2.297  -8.876
   82    HD2  ARG   8          1HD       ARG   8   9.833  -4.106 -10.475
   83    HD3  ARG   8          2HD       ARG   8   8.142  -4.141 -10.966
   84    HE   ARG   8           HE       ARG   8   9.494  -1.583 -11.245
   85   HH11  ARG   8          1HH1      ARG   8   8.432  -4.544 -12.783
   86   HH12  ARG   8          2HH1      ARG   8   8.644  -3.937 -14.395
   87   HH21  ARG   8          1HH2      ARG   8   9.746  -0.771 -13.362
   88   HH22  ARG   8          2HH2      ARG   8   9.382  -1.783 -14.727
   89    H    GLY   9           H        GLY   9   9.597  -4.155  -5.059
   90    HA2  GLY   9          1HA       GLY   9  11.532  -2.312  -5.107
   91    HA3  GLY   9          2HA       GLY   9  10.205  -1.370  -4.439
   92    H    SER  10           H        SER  10  10.964  -1.070  -2.398
   93    HA   SER  10           HA       SER  10  11.833  -3.430  -0.874
   94    HB2  SER  10          1HB       SER  10  12.245  -0.491  -0.250
   95    HB3  SER  10          2HB       SER  10  12.957  -1.852   0.618
   96    HG   SER  10           HG       SER  10  14.489  -1.851  -0.813
   97    H    GLU  11           H        GLU  11  11.055  -3.842   1.189
   98    HA   GLU  11           HA       GLU  11   8.360  -3.672   1.685
   99    HB2  GLU  11          1HB       GLU  11   9.487  -5.310   2.880
  100    HB3  GLU  11          2HB       GLU  11  10.765  -4.222   3.383
  101    HG2  GLU  11          1HG       GLU  11   8.069  -3.682   4.487
  102    HG3  GLU  11          2HG       GLU  11   8.866  -5.154   5.035
  103    H    GLU  12           H        GLU  12  10.898  -1.554   2.961
  104    HA   GLU  12           HA       GLU  12   9.416   0.127   4.568
  105    HB2  GLU  12          1HB       GLU  12  11.853   0.188   4.400
  106    HB3  GLU  12          2HB       GLU  12  11.755   0.782   2.751
  107    HG2  GLU  12          1HG       GLU  12  10.407   2.435   4.796
  108    HG3  GLU  12          2HG       GLU  12  12.162   2.340   4.913
  109    H    GLU  13           H        GLU  13  10.033   0.465   1.080
  110    HA   GLU  13           HA       GLU  13   8.545   2.833   0.712
  111    HB2  GLU  13          1HB       GLU  13   9.173   0.674  -1.319
  112    HB3  GLU  13          2HB       GLU  13   8.676   2.325  -1.680
  113    HG2  GLU  13          1HG       GLU  13  10.729   3.163  -0.626
  114    HG3  GLU  13          2HG       GLU  13  11.225   1.504  -0.297
  115    H    CYS  14           H        CYS  14   7.694  -0.590   0.468
  116    HA   CYS  14           HA       CYS  14   5.127  -0.377  -0.594
  117    HB2  CYS  14          2HB       CYS  14   6.179  -2.333   1.464
  118    HB3  CYS  14          1HB       CYS  14   4.646  -2.508   0.621
  119    H    ARG  15           H        ARG  15   6.113  -0.455   2.826
  120    HA   ARG  15           HA       ARG  15   3.529  -0.136   3.890
  121    HB2  ARG  15          1HB       ARG  15   6.263   0.404   5.051
  122    HB3  ARG  15          2HB       ARG  15   4.776   0.521   5.988
  123    HG2  ARG  15          1HG       ARG  15   4.320  -1.797   5.720
  124    HG3  ARG  15          2HG       ARG  15   5.599  -1.976   4.519
  125    HD2  ARG  15          1HD       ARG  15   6.182  -2.838   6.785
  126    HD3  ARG  15          2HD       ARG  15   7.293  -1.619   6.162
  127    HE   ARG  15           HE       ARG  15   5.140  -0.868   8.030
  128   HH11  ARG  15          1HH1      ARG  15   8.545  -1.093   7.237
  129   HH12  ARG  15          2HH1      ARG  15   9.049  -0.114   8.582
  130   HH21  ARG  15          1HH2      ARG  15   5.803   0.422   9.799
  131   HH22  ARG  15          2HH2      ARG  15   7.494   0.741  10.044
  132    H    LYS  16           H        LYS  16   6.070   2.250   3.142
  133    HA   LYS  16           HA       LYS  16   4.708   4.520   4.082
  134    HB2  LYS  16          1HB       LYS  16   6.875   4.045   2.091
  135    HB3  LYS  16          2HB       LYS  16   6.033   5.584   1.981
  136    HG2  LYS  16          1HG       LYS  16   8.040   5.785   3.322
  137    HG3  LYS  16          2HG       LYS  16   6.604   6.083   4.298
  138    HD2  LYS  16          1HD       LYS  16   6.753   3.819   5.221
  139    HD3  LYS  16          2HD       LYS  16   8.164   3.493   4.210
  140    HE2  LYS  16          1HE       LYS  16   7.954   5.541   6.420
  141    HE3  LYS  16          2HE       LYS  16   8.891   4.047   6.452
  142    HZ1  LYS  16          1HZ       LYS  16  10.214   4.928   4.596
  143    HZ2  LYS  16          2HZ       LYS  16  10.330   5.890   5.980
  144    HZ3  LYS  16          3HZ       LYS  16   9.361   6.385   4.681
  145    H    TYR  17           H        TYR  17   4.694   3.045   0.856
  146    HA   TYR  17           HA       TYR  17   2.937   4.847  -0.369
  147    HB2  TYR  17          2HB       TYR  17   4.371   3.135  -1.535
  148    HB3  TYR  17          1HB       TYR  17   3.230   1.899  -1.018
  149    HD1  TYR  17          1HD       TYR  17   1.142   1.578  -2.183
  150    HD2  TYR  17          2HD       TYR  17   3.647   4.889  -3.141
  151    HE1  TYR  17          1HE       TYR  17  -0.219   2.024  -4.185
  152    HE2  TYR  17          2HE       TYR  17   2.295   5.343  -5.142
  153    HH   TYR  17           HH       TYR  17   0.771   4.116  -6.673
  154    H    ALA  18           H        ALA  18   2.365   1.906   1.479
  155    HA   ALA  18           HA       ALA  18  -0.428   1.739   1.052
  156    HB1  ALA  18          1HB       ALA  18  -0.440   0.160   2.900
  157    HB2  ALA  18          2HB       ALA  18   1.181   0.670   3.375
  158    HB3  ALA  18          3HB       ALA  18   0.932  -0.157   1.839
  159    H    GLU  19           H        GLU  19   1.555   3.341   3.503
  160    HA   GLU  19           HA       GLU  19  -0.619   4.082   5.177
  161    HB2  GLU  19          1HB       GLU  19   1.694   3.990   6.003
  162    HB3  GLU  19          2HB       GLU  19   2.134   5.319   4.938
  163    HG2  GLU  19          1HG       GLU  19   0.760   6.849   6.154
  164    HG3  GLU  19          2HG       GLU  19   0.048   5.542   7.098
  165    H    GLU  20           H        GLU  20   1.187   5.774   2.629
  166    HA   GLU  20           HA       GLU  20  -0.242   8.173   2.669
  167    HB2  GLU  20          1HB       GLU  20   1.409   6.750   0.638
  168    HB3  GLU  20          2HB       GLU  20   0.349   8.022   0.048
  169    HG2  GLU  20          1HG       GLU  20   2.526   8.936   0.452
  170    HG3  GLU  20          2HG       GLU  20   1.396   9.601   1.625
  171    H    LEU  21           H        LEU  21  -0.881   5.133   0.993
  172    HA   LEU  21           HA       LEU  21  -3.192   5.972  -0.394
  173    HB2  LEU  21          1HB       LEU  21  -1.762   3.502   0.060
  174    HB3  LEU  21          2HB       LEU  21  -3.486   3.220   0.201
  175    HG   LEU  21           HG       LEU  21  -2.100   4.455  -2.189
  176   HD11  LEU  21          1HD1      LEU  21  -3.383   1.742  -1.852
  177   HD12  LEU  21          2HD1      LEU  21  -1.646   2.054  -1.909
  178   HD13  LEU  21          3HD1      LEU  21  -2.648   2.382  -3.325
  179   HD21  LEU  21          1HD2      LEU  21  -4.355   5.355  -1.863
  180   HD22  LEU  21          2HD2      LEU  21  -4.998   3.715  -1.750
  181   HD23  LEU  21          3HD2      LEU  21  -4.298   4.288  -3.265
  182    H    SER  22           H        SER  22  -2.739   4.558   2.808
  183    HA   SER  22           HA       SER  22  -5.490   4.208   3.375
  184    HB2  SER  22          1HB       SER  22  -3.680   2.998   4.561
  185    HB3  SER  22          2HB       SER  22  -3.176   4.510   5.316
  186    HG   SER  22           HG       SER  22  -5.368   2.883   5.848
  187    H    ARG  23           H        ARG  23  -3.188   6.821   4.085
  188    HA   ARG  23           HA       ARG  23  -5.142   8.380   5.505
  189    HB2  ARG  23          1HB       ARG  23  -3.452   9.989   5.814
  190    HB3  ARG  23          2HB       ARG  23  -2.604   8.453   5.834
  191    HG2  ARG  23          1HG       ARG  23  -2.337   9.052   3.230
  192    HG3  ARG  23          2HG       ARG  23  -2.468  10.682   3.892
  193    HD2  ARG  23          1HD       ARG  23  -0.405   8.571   4.486
  194    HD3  ARG  23          2HD       ARG  23  -0.157  10.198   3.858
  195    HE   ARG  23           HE       ARG  23  -1.214  10.654   6.305
  196   HH11  ARG  23          1HH1      ARG  23   1.501   8.734   5.164
  197   HH12  ARG  23          2HH1      ARG  23   2.349   8.818   6.676
  198   HH21  ARG  23          1HH2      ARG  23  -0.090  10.780   8.276
  199   HH22  ARG  23          2HH2      ARG  23   1.452  10.002   8.444
  200    H    ARG  24           H        ARG  24  -4.242   7.912   2.233
  201    HA   ARG  24           HA       ARG  24  -5.384  10.259   1.118
  202    HB2  ARG  24          1HB       ARG  24  -3.842   8.944  -0.190
  203    HB3  ARG  24          2HB       ARG  24  -4.838   7.511  -0.026
  204    HG2  ARG  24          1HG       ARG  24  -4.984   8.449  -2.267
  205    HG3  ARG  24          2HG       ARG  24  -6.544   8.497  -1.453
  206    HD2  ARG  24          1HD       ARG  24  -4.703  10.875  -1.475
  207    HD3  ARG  24          2HD       ARG  24  -5.819  10.553  -2.803
  208    HE   ARG  24           HE       ARG  24  -7.434  10.436  -0.661
  209   HH11  ARG  24          1HH1      ARG  24  -5.110  12.842  -1.702
  210   HH12  ARG  24          2HH1      ARG  24  -5.951  14.158  -0.945
  211   HH21  ARG  24          1HH2      ARG  24  -8.535  12.164   0.324
  212   HH22  ARG  24          2HH2      ARG  24  -7.903  13.775   0.197
  213    H    THR  25           H        THR  25  -6.651   6.905   1.182
  214    HA   THR  25           HA       THR  25  -9.378   8.039   1.239
  215    HB   THR  25           HB       THR  25  -8.504   5.525  -0.217
  216    HG1  THR  25          1HG       THR  25  -9.004   8.182  -1.080
  217   HG21  THR  25          1HG2      THR  25 -10.774   5.519  -1.134
  218   HG22  THR  25          2HG2      THR  25 -11.175   6.952  -0.187
  219   HG23  THR  25          3HG2      THR  25 -10.818   5.428   0.628
  220    H    GLY  26           H        GLY  26 -10.566   7.387   2.933
  221    HA2  GLY  26          1HA       GLY  26  -9.496   5.569   4.872
  222    HA3  GLY  26          2HA       GLY  26 -11.046   6.391   4.951
  223    H    CYS  27           H        CYS  27  -9.468   3.831   3.067
  224    HA   CYS  27           HA       CYS  27 -11.942   2.224   3.228
  225    HB2  CYS  27          2HB       CYS  27  -9.722   2.304   1.166
  226    HB3  CYS  27          1HB       CYS  27 -10.879   0.979   1.250
  227    H    GLU  28           H        GLU  28 -10.804  -0.254   2.565
  228    HA   GLU  28           HA       GLU  28  -8.738  -0.680   4.632
  229    HB2  GLU  28          1HB       GLU  28 -10.786  -1.978   5.022
  230    HB3  GLU  28          2HB       GLU  28 -10.713  -2.625   3.388
  231    HG2  GLU  28          1HG       GLU  28  -8.828  -3.939   3.874
  232    HG3  GLU  28          2HG       GLU  28  -8.515  -3.083   5.387
  233    H    VAL  29           H        VAL  29  -6.839  -0.470   3.617
  234    HA   VAL  29           HA       VAL  29  -6.603  -1.498   0.863
  235    HB   VAL  29           HB       VAL  29  -6.992   0.900   0.733
  236   HG11  VAL  29          1HG1      VAL  29  -4.581   1.220   2.529
  237   HG12  VAL  29          2HG1      VAL  29  -6.258   1.531   2.978
  238   HG13  VAL  29          3HG1      VAL  29  -5.473   2.529   1.753
  239   HG21  VAL  29          1HG2      VAL  29  -4.094   0.233   0.195
  240   HG22  VAL  29          2HG2      VAL  29  -4.989   1.583  -0.507
  241   HG23  VAL  29          3HG2      VAL  29  -5.446  -0.078  -0.890
  242    H    GLU  30           H        GLU  30  -4.748  -2.456   0.325
  243    HA   GLU  30           HA       GLU  30  -2.308  -1.848   1.772
  244    HB2  GLU  30          1HB       GLU  30  -3.616  -4.521   1.853
  245    HB3  GLU  30          2HB       GLU  30  -1.873  -4.494   1.626
  246    HG2  GLU  30          1HG       GLU  30  -1.652  -3.126   3.669
  247    HG3  GLU  30          2HG       GLU  30  -3.389  -3.257   3.913
  248    H    VAL  31           H        VAL  31  -0.437  -2.926   0.754
  249    HA   VAL  31           HA       VAL  31  -0.768  -3.415  -2.113
  250    HB   VAL  31           HB       VAL  31  -0.174  -1.042  -1.917
  251   HG11  VAL  31          1HG1      VAL  31   0.915  -1.137   0.279
  252   HG12  VAL  31          2HG1      VAL  31   1.911  -0.307  -0.914
  253   HG13  VAL  31          3HG1      VAL  31   2.295  -1.964  -0.443
  254   HG21  VAL  31          1HG2      VAL  31   1.840  -1.024  -3.309
  255   HG22  VAL  31          2HG2      VAL  31   0.724  -2.293  -3.814
  256   HG23  VAL  31          3HG2      VAL  31   2.162  -2.707  -2.877
  257    H    GLU  32           H        GLU  32   0.835  -4.780  -2.968
  258    HA   GLU  32           HA       GLU  32   2.369  -6.239  -0.912
  259    HB2  GLU  32          1HB       GLU  32   1.234  -7.229  -3.547
  260    HB3  GLU  32          2HB       GLU  32   2.138  -8.202  -2.394
  261    HG2  GLU  32          1HG       GLU  32  -0.531  -6.897  -1.877
  262    HG3  GLU  32          2HG       GLU  32  -0.278  -8.598  -2.260
  263    H    CYS  33           H        CYS  33   4.390  -7.284  -1.789
  264    HA   CYS  33           HA       CYS  33   5.722  -5.225  -3.424
  265    HB2  CYS  33          2HB       CYS  33   7.043  -6.896  -1.287
  266    HB3  CYS  33          1HB       CYS  33   7.645  -5.425  -2.043
  267    H    GLU  34           H        GLU  34   6.734  -5.846  -5.181
  268    HA   GLU  34           HA       GLU  34   7.534  -8.663  -5.502
  269    HB2  GLU  34          1HB       GLU  34   6.906  -6.621  -7.656
  270    HB3  GLU  34          2HB       GLU  34   7.398  -8.285  -7.934
  271    HG2  GLU  34          1HG       GLU  34   5.331  -9.036  -6.780
  272    HG3  GLU  34          2HG       GLU  34   4.830  -7.349  -6.662
  273    H    THR  35           H        THR  35   9.496  -8.909  -6.867
  274    HA   THR  35           HA       THR  35  11.285  -6.594  -6.898
  275    HB   THR  35           HB       THR  35  12.084  -9.297  -5.761
  276    HG1  THR  35          1HG       THR  35  10.983  -7.097  -4.615
  277   HG21  THR  35          1HG2      THR  35  13.663  -6.725  -6.031
  278   HG22  THR  35          2HG2      THR  35  13.925  -8.197  -6.971
  279   HG23  THR  35          3HG2      THR  35  14.219  -8.195  -5.231
  Start of MODEL   14
    1    H1   CYS   1          1H        CYS   1 -16.123   0.098   1.567
    2    H2   CYS   1          2H        CYS   1 -14.735   0.311   2.501
    3    H3   CYS   1          3H        CYS   1 -15.230  -1.246   2.065
    4    HA   CYS   1           HA       CYS   1 -14.829  -0.767  -0.243
    5    HB2  CYS   1          2HB       CYS   1 -13.536   1.382  -0.728
    6    HB3  CYS   1          1HB       CYS   1 -15.249   1.569  -0.376
    7    H    LYS   2           H        LYS   2 -13.370  -2.371  -0.263
    8    HA   LYS   2           HA       LYS   2 -10.711  -1.833   0.906
    9    HB2  LYS   2          1HB       LYS   2 -12.023  -4.529   0.445
   10    HB3  LYS   2          2HB       LYS   2 -10.419  -4.265   1.115
   11    HG2  LYS   2          1HG       LYS   2 -11.466  -3.064   3.016
   12    HG3  LYS   2          2HG       LYS   2 -13.048  -3.485   2.367
   13    HD2  LYS   2          1HD       LYS   2 -10.933  -5.500   3.153
   14    HD3  LYS   2          2HD       LYS   2 -12.243  -4.981   4.210
   15    HE2  LYS   2          1HE       LYS   2 -12.936  -7.031   3.259
   16    HE3  LYS   2          2HE       LYS   2 -13.843  -5.778   2.416
   17    HZ1  LYS   2          1HZ       LYS   2 -12.415  -5.984   0.538
   18    HZ2  LYS   2          2HZ       LYS   2 -12.913  -7.539   0.961
   19    HZ3  LYS   2          3HZ       LYS   2 -11.359  -7.015   1.361
   20    H    GLN   3           H        GLN   3  -8.900  -2.292  -0.360
   21    HA   GLN   3           HA       GLN   3  -9.257  -3.398  -3.029
   22    HB2  GLN   3          1HB       GLN   3  -9.786  -1.040  -3.403
   23    HB3  GLN   3          2HB       GLN   3  -8.298  -0.553  -2.605
   24    HG2  GLN   3          1HG       GLN   3  -8.149  -0.399  -5.047
   25    HG3  GLN   3          2HG       GLN   3  -6.974  -1.529  -4.377
   26   HE21  GLN   3          1HE2      GLN   3  -7.974  -3.704  -6.905
   27   HE22  GLN   3          2HE2      GLN   3  -6.736  -2.679  -6.264
   28    H    ARG   4           H        ARG   4  -7.308  -4.088  -3.977
   29    HA   ARG   4           HA       ARG   4  -5.003  -4.089  -2.144
   30    HB2  ARG   4          1HB       ARG   4  -4.374  -6.257  -3.052
   31    HB3  ARG   4          2HB       ARG   4  -6.015  -6.317  -2.430
   32    HG2  ARG   4          1HG       ARG   4  -6.874  -6.106  -4.742
   33    HG3  ARG   4          2HG       ARG   4  -5.211  -6.119  -5.335
   34    HD2  ARG   4          1HD       ARG   4  -4.901  -8.350  -4.291
   35    HD3  ARG   4          2HD       ARG   4  -6.601  -8.336  -3.824
   36    HE   ARG   4           HE       ARG   4  -6.326  -7.911  -6.617
   37   HH11  ARG   4          1HH1      ARG   4  -6.197 -10.434  -4.180
   38   HH12  ARG   4          2HH1      ARG   4  -6.538 -11.706  -5.312
   39   HH21  ARG   4          1HH2      ARG   4  -6.784  -9.582  -8.087
   40   HH22  ARG   4          2HH2      ARG   4  -6.850 -11.225  -7.527
   41    H    ARG   5           H        ARG   5  -2.936  -3.913  -3.017
   42    HA   ARG   5           HA       ARG   5  -2.642  -3.175  -5.841
   43    HB2  ARG   5          1HB       ARG   5  -1.722  -1.481  -3.494
   44    HB3  ARG   5          2HB       ARG   5  -1.182  -1.236  -5.149
   45    HG2  ARG   5          1HG       ARG   5  -4.083  -1.118  -4.349
   46    HG3  ARG   5          2HG       ARG   5  -3.021   0.290  -4.320
   47    HD2  ARG   5          1HD       ARG   5  -3.545  -1.414  -6.760
   48    HD3  ARG   5          2HD       ARG   5  -4.380   0.096  -6.395
   49    HE   ARG   5           HE       ARG   5  -1.756   0.802  -6.319
   50   HH11  ARG   5          1HH1      ARG   5  -3.769  -0.781  -8.714
   51   HH12  ARG   5          2HH1      ARG   5  -2.847  -0.189 -10.061
   52   HH21  ARG   5          1HH2      ARG   5  -0.564   1.601  -8.106
   53   HH22  ARG   5          2HH2      ARG   5  -1.036   1.151  -9.715
   54    H    ARG   6           H        ARG   6  -0.266  -3.100  -6.427
   55    HA   ARG   6           HA       ARG   6   1.499  -4.356  -4.474
   56    HB2  ARG   6          1HB       ARG   6   2.534  -5.747  -6.335
   57    HB3  ARG   6          2HB       ARG   6   0.977  -6.285  -5.723
   58    HG2  ARG   6          1HG       ARG   6  -0.151  -5.579  -7.661
   59    HG3  ARG   6          2HG       ARG   6   1.213  -4.598  -8.204
   60    HD2  ARG   6          1HD       ARG   6   0.836  -6.839  -9.382
   61    HD3  ARG   6          2HD       ARG   6   2.470  -6.480  -8.824
   62    HE   ARG   6           HE       ARG   6   0.895  -7.985  -6.931
   63   HH11  ARG   6          1HH1      ARG   6   3.010  -8.200  -9.709
   64   HH12  ARG   6          2HH1      ARG   6   3.555  -9.797  -9.327
   65   HH21  ARG   6          1HH2      ARG   6   1.622 -10.086  -6.412
   66   HH22  ARG   6          2HH2      ARG   6   2.778 -10.874  -7.445
   67    H    TYR   7           H        TYR   7   3.514  -3.591  -4.477
   68    HA   TYR   7           HA       TYR   7   4.182  -1.478  -6.425
   69    HB2  TYR   7          2HB       TYR   7   3.372  -0.622  -4.189
   70    HB3  TYR   7          1HB       TYR   7   4.744  -1.424  -3.441
   71    HD1  TYR   7          1HD       TYR   7   6.978  -0.492  -3.620
   72    HD2  TYR   7          2HD       TYR   7   3.686   1.359  -5.591
   73    HE1  TYR   7          1HE       TYR   7   8.325   1.537  -3.955
   74    HE2  TYR   7          2HE       TYR   7   5.031   3.387  -5.945
   75    HH   TYR   7           HH       TYR   7   6.976   4.499  -4.946
   76    H    ARG   8           H        ARG   8   6.355  -1.388  -7.038
   77    HA   ARG   8           HA       ARG   8   8.008  -3.627  -6.079
   78    HB2  ARG   8          1HB       ARG   8   9.120  -3.495  -8.368
   79    HB3  ARG   8          2HB       ARG   8   7.483  -4.125  -8.321
   80    HG2  ARG   8          1HG       ARG   8   7.448  -2.743 -10.179
   81    HG3  ARG   8          2HG       ARG   8   6.766  -1.713  -8.923
   82    HD2  ARG   8          1HD       ARG   8   8.366  -0.483 -10.286
   83    HD3  ARG   8          2HD       ARG   8   8.938  -0.625  -8.625
   84    HE   ARG   8           HE       ARG   8   9.924  -2.350 -10.816
   85   HH11  ARG   8          1HH1      ARG   8  10.488  -0.385  -7.974
   86   HH12  ARG   8          2HH1      ARG   8  12.199  -0.668  -7.965
   87   HH21  ARG   8          1HH2      ARG   8  12.162  -2.723 -10.803
   88   HH22  ARG   8          2HH2      ARG   8  13.148  -2.025  -9.561
   89    H    GLY   9           H        GLY   9  10.042  -3.266  -5.430
   90    HA2  GLY   9          1HA       GLY   9  11.910  -1.443  -5.918
   91    HA3  GLY   9          2HA       GLY   9  10.792  -0.490  -4.947
   92    H    SER  10           H        SER  10  10.334  -1.199  -2.776
   93    HA   SER  10           HA       SER  10  11.943  -3.278  -1.589
   94    HB2  SER  10          1HB       SER  10  12.405  -0.373  -0.828
   95    HB3  SER  10          2HB       SER  10  13.061  -1.766   0.036
   96    HG   SER  10           HG       SER  10  13.713  -2.123  -2.469
   97    H    GLU  11           H        GLU  11  11.284  -3.774   0.555
   98    HA   GLU  11           HA       GLU  11   8.557  -3.752   0.942
   99    HB2  GLU  11          1HB       GLU  11   9.025  -4.542   3.243
  100    HB3  GLU  11          2HB       GLU  11   9.960  -5.391   2.020
  101    HG2  GLU  11          1HG       GLU  11  11.916  -4.014   2.565
  102    HG3  GLU  11          2HG       GLU  11  10.972  -3.174   3.796
  103    H    GLU  12           H        GLU  12  10.961  -1.530   2.316
  104    HA   GLU  12           HA       GLU  12   9.247  -0.173   4.075
  105    HB2  GLU  12          1HB       GLU  12  11.711   0.069   4.105
  106    HB3  GLU  12          2HB       GLU  12  11.638   0.930   2.573
  107    HG2  GLU  12          1HG       GLU  12  10.297   2.696   3.652
  108    HG3  GLU  12          2HG       GLU  12  10.443   1.843   5.189
  109    H    GLU  13           H        GLU  13  10.179   0.579   0.729
  110    HA   GLU  13           HA       GLU  13   8.590   2.841   0.360
  111    HB2  GLU  13          1HB       GLU  13   9.497   0.739  -1.621
  112    HB3  GLU  13          2HB       GLU  13   8.737   2.256  -2.084
  113    HG2  GLU  13          1HG       GLU  13  11.318   2.017  -0.543
  114    HG3  GLU  13          2HG       GLU  13  11.192   2.305  -2.279
  115    H    CYS  14           H        CYS  14   7.844  -0.581  -0.101
  116    HA   CYS  14           HA       CYS  14   5.271  -0.296  -1.187
  117    HB2  CYS  14          2HB       CYS  14   6.315  -2.548   0.555
  118    HB3  CYS  14          1HB       CYS  14   4.948  -2.637  -0.554
  119    H    ARG  15           H        ARG  15   6.379  -0.647   2.153
  120    HA   ARG  15           HA       ARG  15   3.877  -0.645   3.426
  121    HB2  ARG  15          1HB       ARG  15   6.655   0.112   4.319
  122    HB3  ARG  15          2HB       ARG  15   5.282   0.235   5.409
  123    HG2  ARG  15          1HG       ARG  15   4.987  -2.054   5.520
  124    HG3  ARG  15          2HG       ARG  15   5.808  -2.343   3.985
  125    HD2  ARG  15          1HD       ARG  15   7.038  -2.997   6.133
  126    HD3  ARG  15          2HD       ARG  15   7.929  -2.062   4.933
  127    HE   ARG  15           HE       ARG  15   6.685  -0.380   6.878
  128   HH11  ARG  15          1HH1      ARG  15   9.407  -2.536   6.441
  129   HH12  ARG  15          2HH1      ARG  15  10.449  -1.636   7.498
  130   HH21  ARG  15          1HH2      ARG  15   8.027   0.775   8.294
  131   HH22  ARG  15          2HH2      ARG  15   9.657   0.236   8.573
  132    H    LYS  16           H        LYS  16   6.127   1.990   2.707
  133    HA   LYS  16           HA       LYS  16   4.673   4.117   3.788
  134    HB2  LYS  16          1HB       LYS  16   6.551   4.043   1.410
  135    HB3  LYS  16          2HB       LYS  16   5.961   5.525   2.153
  136    HG2  LYS  16          1HG       LYS  16   7.144   5.129   4.151
  137    HG3  LYS  16          2HG       LYS  16   7.448   3.442   3.736
  138    HD2  LYS  16          1HD       LYS  16   9.470   4.791   3.471
  139    HD3  LYS  16          2HD       LYS  16   8.936   4.147   1.919
  140    HE2  LYS  16          1HE       LYS  16   7.906   6.319   1.391
  141    HE3  LYS  16          2HE       LYS  16   8.466   6.953   2.939
  142    HZ1  LYS  16          1HZ       LYS  16   9.944   7.582   1.132
  143    HZ2  LYS  16          2HZ       LYS  16  10.212   5.958   0.753
  144    HZ3  LYS  16          3HZ       LYS  16  10.741   6.579   2.232
  145    H    TYR  17           H        TYR  17   4.639   2.735   0.530
  146    HA   TYR  17           HA       TYR  17   2.760   4.411  -0.663
  147    HB2  TYR  17          2HB       TYR  17   4.137   2.794  -1.900
  148    HB3  TYR  17          1HB       TYR  17   3.284   1.460  -1.137
  149    HD1  TYR  17          1HD       TYR  17   1.539   0.461  -2.294
  150    HD2  TYR  17          2HD       TYR  17   2.605   4.464  -3.275
  151    HE1  TYR  17          1HE       TYR  17  -0.053   0.415  -4.163
  152    HE2  TYR  17          2HE       TYR  17   1.011   4.430  -5.151
  153    HH   TYR  17           HH       TYR  17  -0.142   2.884  -6.569
  154    H    ALA  18           H        ALA  18   2.321   1.465   1.255
  155    HA   ALA  18           HA       ALA  18  -0.491   1.293   1.026
  156    HB1  ALA  18          1HB       ALA  18  -0.371  -0.199   2.963
  157    HB2  ALA  18          2HB       ALA  18   1.289   0.316   3.265
  158    HB3  ALA  18          3HB       ALA  18   0.894  -0.574   1.794
  159    H    GLU  19           H        GLU  19   1.578   2.861   3.449
  160    HA   GLU  19           HA       GLU  19  -0.464   3.690   5.201
  161    HB2  GLU  19          1HB       GLU  19   2.246   4.948   4.680
  162    HB3  GLU  19          2HB       GLU  19   1.207   5.321   6.050
  163    HG2  GLU  19          1HG       GLU  19   2.466   2.648   5.451
  164    HG3  GLU  19          2HG       GLU  19   2.994   3.795   6.680
  165    H    GLU  20           H        GLU  20   1.247   5.465   2.636
  166    HA   GLU  20           HA       GLU  20  -0.200   7.826   2.703
  167    HB2  GLU  20          1HB       GLU  20   1.478   6.425   0.706
  168    HB3  GLU  20          2HB       GLU  20   0.335   7.575   0.029
  169    HG2  GLU  20          1HG       GLU  20   2.580   8.525   0.456
  170    HG3  GLU  20          2HG       GLU  20   1.281   9.372   1.290
  171    H    LEU  21           H        LEU  21  -0.864   4.843   0.901
  172    HA   LEU  21           HA       LEU  21  -3.089   5.700  -0.539
  173    HB2  LEU  21          1HB       LEU  21  -1.772   3.232  -0.005
  174    HB3  LEU  21          2HB       LEU  21  -3.483   2.974   0.267
  175    HG   LEU  21           HG       LEU  21  -2.934   2.377  -2.001
  176   HD11  LEU  21          1HD1      LEU  21  -4.432   4.997  -1.950
  177   HD12  LEU  21          2HD1      LEU  21  -5.116   3.405  -1.617
  178   HD13  LEU  21          3HD1      LEU  21  -4.501   3.780  -3.225
  179   HD21  LEU  21          1HD2      LEU  21  -0.917   3.724  -2.273
  180   HD22  LEU  21          2HD2      LEU  21  -1.891   5.197  -2.318
  181   HD23  LEU  21          3HD2      LEU  21  -2.044   3.998  -3.603
  182    H    SER  22           H        SER  22  -3.002   4.093   2.647
  183    HA   SER  22           HA       SER  22  -5.784   3.979   2.958
  184    HB2  SER  22          1HB       SER  22  -5.134   3.498   5.345
  185    HB3  SER  22          2HB       SER  22  -4.392   2.458   4.144
  186    HG   SER  22           HG       SER  22  -2.528   3.133   4.801
  187    H    ARG  23           H        ARG  23  -3.363   6.336   4.113
  188    HA   ARG  23           HA       ARG  23  -5.321   7.861   5.565
  189    HB2  ARG  23          1HB       ARG  23  -3.540   9.515   5.886
  190    HB3  ARG  23          2HB       ARG  23  -2.981   7.893   6.257
  191    HG2  ARG  23          1HG       ARG  23  -1.915   7.798   4.017
  192    HG3  ARG  23          2HG       ARG  23  -2.382   9.480   3.767
  193    HD2  ARG  23          1HD       ARG  23  -0.026   9.159   4.551
  194    HD3  ARG  23          2HD       ARG  23  -1.001  10.211   5.578
  195    HE   ARG  23           HE       ARG  23  -1.329   8.020   6.916
  196   HH11  ARG  23          1HH1      ARG  23   1.631   8.904   5.253
  197   HH12  ARG  23          2HH1      ARG  23   2.654   8.137   6.427
  198   HH21  ARG  23          1HH2      ARG  23   0.009   6.986   8.418
  199   HH22  ARG  23          2HH2      ARG  23   1.735   7.029   8.214
  200    H    ARG  24           H        ARG  24  -4.228   7.771   2.306
  201    HA   ARG  24           HA       ARG  24  -4.994  10.427   1.560
  202    HB2  ARG  24          1HB       ARG  24  -3.350   8.848   0.358
  203    HB3  ARG  24          2HB       ARG  24  -4.770   8.060  -0.309
  204    HG2  ARG  24          1HG       ARG  24  -3.858   9.636  -1.893
  205    HG3  ARG  24          2HG       ARG  24  -5.447  10.176  -1.351
  206    HD2  ARG  24          1HD       ARG  24  -4.567  11.920  -0.087
  207    HD3  ARG  24          2HD       ARG  24  -2.972  11.175   0.020
  208    HE   ARG  24           HE       ARG  24  -3.027  11.643  -2.558
  209   HH11  ARG  24          1HH1      ARG  24  -4.296  13.742  -0.038
  210   HH12  ARG  24          2HH1      ARG  24  -3.870  15.202  -0.873
  211   HH21  ARG  24          1HH2      ARG  24  -2.420  13.574  -3.622
  212   HH22  ARG  24          2HH2      ARG  24  -2.762  15.110  -2.882
  213    H    THR  25           H        THR  25  -6.436   7.214   1.094
  214    HA   THR  25           HA       THR  25  -9.061   8.503   0.686
  215    HB   THR  25           HB       THR  25  -9.649   6.370  -0.579
  216    HG1  THR  25          1HG       THR  25  -7.388   5.518   0.282
  217   HG21  THR  25          1HG2      THR  25  -7.501   8.158  -1.740
  218   HG22  THR  25          2HG2      THR  25  -9.236   8.471  -1.754
  219   HG23  THR  25          3HG2      THR  25  -8.582   7.115  -2.670
  220    H    GLY  26           H        GLY  26 -10.512   8.084   2.227
  221    HA2  GLY  26          1HA       GLY  26  -9.919   6.463   4.475
  222    HA3  GLY  26          2HA       GLY  26 -11.466   7.219   4.125
  223    H    CYS  27           H        CYS  27  -9.454   4.423   3.462
  224    HA   CYS  27           HA       CYS  27 -11.777   2.689   3.389
  225    HB2  CYS  27          2HB       CYS  27  -9.967   3.094   0.993
  226    HB3  CYS  27          1HB       CYS  27 -10.934   1.639   1.207
  227    H    GLU  28           H        GLU  28 -10.654   0.377   2.573
  228    HA   GLU  28           HA       GLU  28  -8.294   0.012   4.310
  229    HB2  GLU  28          1HB       GLU  28 -10.243  -1.234   5.103
  230    HB3  GLU  28          2HB       GLU  28 -10.472  -1.947   3.513
  231    HG2  GLU  28          1HG       GLU  28  -9.475  -3.609   4.862
  232    HG3  GLU  28          2HG       GLU  28  -8.216  -3.025   3.777
  233    H    VAL  29           H        VAL  29  -6.604   0.161   2.984
  234    HA   VAL  29           HA       VAL  29  -6.689  -1.296   0.418
  235    HB   VAL  29           HB       VAL  29  -4.953   1.090   1.128
  236   HG11  VAL  29          1HG1      VAL  29  -3.869  -0.386  -0.472
  237   HG12  VAL  29          2HG1      VAL  29  -4.390   1.095  -1.274
  238   HG13  VAL  29          3HG1      VAL  29  -5.314  -0.393  -1.485
  239   HG21  VAL  29          1HG2      VAL  29  -6.361   2.352  -0.447
  240   HG22  VAL  29          2HG2      VAL  29  -7.299   1.744   0.918
  241   HG23  VAL  29          3HG2      VAL  29  -7.399   0.939  -0.649
  242    H    GLU  30           H        GLU  30  -5.386  -2.960   0.236
  243    HA   GLU  30           HA       GLU  30  -3.129  -3.222   2.118
  244    HB2  GLU  30          1HB       GLU  30  -4.833  -4.939   2.465
  245    HB3  GLU  30          2HB       GLU  30  -4.784  -5.371   0.760
  246    HG2  GLU  30          1HG       GLU  30  -2.522  -6.193   0.989
  247    HG3  GLU  30          2HG       GLU  30  -2.464  -5.654   2.667
  248    H    VAL  31           H        VAL  31  -1.135  -3.453   1.276
  249    HA   VAL  31           HA       VAL  31  -0.924  -3.532  -1.654
  250    HB   VAL  31           HB       VAL  31   0.868  -2.124   0.343
  251   HG11  VAL  31          1HG1      VAL  31   2.124  -1.297  -1.577
  252   HG12  VAL  31          2HG1      VAL  31   1.105  -2.236  -2.669
  253   HG13  VAL  31          3HG1      VAL  31   2.166  -3.058  -1.525
  254   HG21  VAL  31          1HG2      VAL  31   0.088  -0.068  -0.732
  255   HG22  VAL  31          2HG2      VAL  31  -1.267  -0.980  -0.065
  256   HG23  VAL  31          3HG2      VAL  31  -0.953  -1.010  -1.801
  257    H    GLU  32           H        GLU  32   0.672  -4.725  -2.557
  258    HA   GLU  32           HA       GLU  32   1.991  -6.747  -0.867
  259    HB2  GLU  32          1HB       GLU  32   0.332  -7.721  -2.353
  260    HB3  GLU  32          2HB       GLU  32   0.970  -6.825  -3.721
  261    HG2  GLU  32          1HG       GLU  32   3.052  -8.142  -3.576
  262    HG3  GLU  32          2HG       GLU  32   2.341  -9.078  -2.258
  263    H    CYS  33           H        CYS  33   4.225  -7.200  -1.428
  264    HA   CYS  33           HA       CYS  33   5.432  -4.805  -2.656
  265    HB2  CYS  33          2HB       CYS  33   5.651  -5.052  -0.155
  266    HB3  CYS  33          1HB       CYS  33   6.644  -6.477  -0.451
  267    H    GLU  34           H        GLU  34   7.054  -4.978  -4.045
  268    HA   GLU  34           HA       GLU  34   8.326  -7.581  -4.536
  269    HB2  GLU  34          1HB       GLU  34   7.328  -5.681  -6.683
  270    HB3  GLU  34          2HB       GLU  34   8.243  -7.155  -6.970
  271    HG2  GLU  34          1HG       GLU  34   6.387  -8.468  -6.026
  272    HG3  GLU  34          2HG       GLU  34   5.473  -6.978  -5.791
  273    H    THR  35           H        THR  35  10.297  -7.096  -6.105
  274    HA   THR  35           HA       THR  35  11.569  -4.592  -5.200
  275    HB   THR  35           HB       THR  35  13.753  -5.879  -5.221
  276    HG1  THR  35          1HG       THR  35  12.601  -7.715  -6.404
  277   HG21  THR  35          1HG2      THR  35  11.649  -6.765  -3.232
  278   HG22  THR  35          2HG2      THR  35  12.627  -5.302  -3.123
  279   HG23  THR  35          3HG2      THR  35  13.396  -6.885  -3.003
  Start of MODEL   15
    1    H1   CYS   1          1H        CYS   1 -15.728  -0.255  -0.426
    2    H2   CYS   1          2H        CYS   1 -16.237   1.354  -0.351
    3    H3   CYS   1          3H        CYS   1 -15.372   0.682   0.935
    4    HA   CYS   1           HA       CYS   1 -14.344   1.121  -1.798
    5    HB2  CYS   1          2HB       CYS   1 -14.691   3.192  -0.473
    6    HB3  CYS   1          1HB       CYS   1 -13.659   2.532   0.788
    7    H    LYS   2           H        LYS   2 -13.174  -0.622  -2.197
    8    HA   LYS   2           HA       LYS   2 -11.142  -1.489  -0.241
    9    HB2  LYS   2          1HB       LYS   2 -13.041  -3.221  -1.832
   10    HB3  LYS   2          2HB       LYS   2 -11.516  -3.848  -1.221
   11    HG2  LYS   2          1HG       LYS   2 -12.232  -3.284   1.073
   12    HG3  LYS   2          2HG       LYS   2 -13.783  -2.735   0.430
   13    HD2  LYS   2          1HD       LYS   2 -14.301  -4.949  -0.365
   14    HD3  LYS   2          2HD       LYS   2 -12.687  -5.526   0.050
   15    HE2  LYS   2          1HE       LYS   2 -14.315  -6.257   1.707
   16    HE3  LYS   2          2HE       LYS   2 -13.155  -5.141   2.423
   17    HZ1  LYS   2          1HZ       LYS   2 -15.445  -4.709   3.113
   18    HZ2  LYS   2          2HZ       LYS   2 -15.878  -4.396   1.507
   19    HZ3  LYS   2          3HZ       LYS   2 -14.776  -3.390   2.294
   20    H    GLN   3           H        GLN   3  -9.149  -1.856  -1.086
   21    HA   GLN   3           HA       GLN   3  -8.799  -2.161  -3.970
   22    HB2  GLN   3          1HB       GLN   3  -7.527   0.054  -2.354
   23    HB3  GLN   3          2HB       GLN   3  -6.971  -0.425  -3.948
   24    HG2  GLN   3          1HG       GLN   3  -9.082   0.232  -4.929
   25    HG3  GLN   3          2HG       GLN   3  -9.738   0.605  -3.335
   26   HE21  GLN   3          1HE2      GLN   3  -7.278   3.226  -5.245
   27   HE22  GLN   3          2HE2      GLN   3  -7.491   1.609  -5.817
   28    H    ARG   4           H        ARG   4  -7.195  -3.541  -4.438
   29    HA   ARG   4           HA       ARG   4  -5.157  -4.087  -2.373
   30    HB2  ARG   4          1HB       ARG   4  -6.271  -6.048  -4.399
   31    HB3  ARG   4          2HB       ARG   4  -4.975  -6.384  -3.261
   32    HG2  ARG   4          1HG       ARG   4  -6.710  -5.814  -1.436
   33    HG3  ARG   4          2HG       ARG   4  -7.904  -5.997  -2.723
   34    HD2  ARG   4          1HD       ARG   4  -6.004  -8.066  -1.627
   35    HD3  ARG   4          2HD       ARG   4  -7.767  -8.106  -1.649
   36    HE   ARG   4           HE       ARG   4  -7.574  -8.315  -4.118
   37   HH11  ARG   4          1HH1      ARG   4  -4.917  -9.309  -2.059
   38   HH12  ARG   4          2HH1      ARG   4  -4.216 -10.358  -3.255
   39   HH21  ARG   4          1HH2      ARG   4  -6.666  -9.717  -5.683
   40   HH22  ARG   4          2HH2      ARG   4  -5.211 -10.593  -5.315
   41    H    ARG   5           H        ARG   5  -3.050  -4.026  -3.042
   42    HA   ARG   5           HA       ARG   5  -2.527  -3.549  -5.892
   43    HB2  ARG   5          1HB       ARG   5  -1.704  -1.741  -3.607
   44    HB3  ARG   5          2HB       ARG   5  -0.991  -1.655  -5.214
   45    HG2  ARG   5          1HG       ARG   5  -3.929  -1.295  -4.628
   46    HG3  ARG   5          2HG       ARG   5  -2.772   0.024  -4.826
   47    HD2  ARG   5          1HD       ARG   5  -2.447  -0.443  -7.096
   48    HD3  ARG   5          2HD       ARG   5  -3.103  -2.072  -6.952
   49    HE   ARG   5           HE       ARG   5  -5.303  -1.081  -6.725
   50   HH11  ARG   5          1HH1      ARG   5  -2.779   1.041  -7.908
   51   HH12  ARG   5          2HH1      ARG   5  -3.884   2.067  -8.769
   52   HH21  ARG   5          1HH2      ARG   5  -6.744   0.230  -7.868
   53   HH22  ARG   5          2HH2      ARG   5  -6.150   1.592  -8.765
   54    H    ARG   6           H        ARG   6  -0.551  -4.156  -6.619
   55    HA   ARG   6           HA       ARG   6   1.316  -5.380  -4.696
   56    HB2  ARG   6          1HB       ARG   6   0.798  -5.979  -7.618
   57    HB3  ARG   6          2HB       ARG   6   2.221  -6.565  -6.766
   58    HG2  ARG   6          1HG       ARG   6   0.801  -7.816  -5.225
   59    HG3  ARG   6          2HG       ARG   6  -0.639  -7.203  -6.044
   60    HD2  ARG   6          1HD       ARG   6   0.055  -9.518  -6.730
   61    HD3  ARG   6          2HD       ARG   6  -0.087  -8.363  -8.055
   62    HE   ARG   6           HE       ARG   6   2.578  -8.515  -7.011
   63   HH11  ARG   6          1HH1      ARG   6   0.328 -10.152  -9.149
   64   HH12  ARG   6          2HH1      ARG   6   1.575 -10.771 -10.185
   65   HH21  ARG   6          1HH2      ARG   6   4.201  -9.303  -8.358
   66   HH22  ARG   6          2HH2      ARG   6   3.791 -10.284  -9.737
   67    H    TYR   7           H        TYR   7   3.101  -4.222  -4.372
   68    HA   TYR   7           HA       TYR   7   3.785  -2.142  -6.359
   69    HB2  TYR   7          2HB       TYR   7   2.935  -1.331  -4.133
   70    HB3  TYR   7          1HB       TYR   7   4.320  -2.105  -3.370
   71    HD1  TYR   7          1HD       TYR   7   6.602  -1.205  -3.740
   72    HD2  TYR   7          2HD       TYR   7   3.164   0.751  -5.324
   73    HE1  TYR   7          1HE       TYR   7   7.931   0.828  -4.103
   74    HE2  TYR   7          2HE       TYR   7   4.488   2.792  -5.687
   75    HH   TYR   7           HH       TYR   7   7.864   2.845  -5.553
   76    H    ARG   8           H        ARG   8   5.763  -2.212  -7.222
   77    HA   ARG   8           HA       ARG   8   7.694  -4.126  -6.078
   78    HB2  ARG   8          1HB       ARG   8   7.318  -3.272  -8.961
   79    HB3  ARG   8          2HB       ARG   8   8.610  -4.315  -8.389
   80    HG2  ARG   8          1HG       ARG   8   7.296  -6.061  -8.773
   81    HG3  ARG   8          2HG       ARG   8   6.241  -5.505  -7.474
   82    HD2  ARG   8          1HD       ARG   8   6.020  -4.622 -10.354
   83    HD3  ARG   8          2HD       ARG   8   5.074  -5.924  -9.641
   84    HE   ARG   8           HE       ARG   8   3.988  -4.300  -8.241
   85   HH11  ARG   8          1HH1      ARG   8   5.991  -2.937 -10.776
   86   HH12  ARG   8          2HH1      ARG   8   5.095  -1.452 -10.849
   87   HH21  ARG   8          1HH2      ARG   8   2.817  -2.341  -8.346
   88   HH22  ARG   8          2HH2      ARG   8   3.294  -1.114  -9.480
   89    H    GLY   9           H        GLY   9   9.605  -3.385  -5.471
   90    HA2  GLY   9          1HA       GLY   9  11.216  -1.462  -6.544
   91    HA3  GLY   9          2HA       GLY   9  10.132  -0.561  -5.489
   92    H    SER  10           H        SER  10  10.049  -1.163  -3.236
   93    HA   SER  10           HA       SER  10  12.035  -2.927  -2.140
   94    HB2  SER  10          1HB       SER  10  12.275   0.057  -1.614
   95    HB3  SER  10          2HB       SER  10  13.242  -1.209  -0.853
   96    HG   SER  10           HG       SER  10  13.660  -1.711  -3.283
   97    H    GLU  11           H        GLU  11  11.929  -2.913   0.279
   98    HA   GLU  11           HA       GLU  11   9.353  -3.348   1.187
   99    HB2  GLU  11          1HB       GLU  11  11.919  -2.781   2.669
  100    HB3  GLU  11          2HB       GLU  11  10.425  -3.173   3.510
  101    HG2  GLU  11          1HG       GLU  11  11.667  -4.954   1.421
  102    HG3  GLU  11          2HG       GLU  11  12.004  -5.087   3.147
  103    H    GLU  12           H        GLU  12  11.428  -0.568   2.060
  104    HA   GLU  12           HA       GLU  12   9.504   0.744   3.609
  105    HB2  GLU  12          1HB       GLU  12  11.909   1.262   3.690
  106    HB3  GLU  12          2HB       GLU  12  11.814   1.961   2.078
  107    HG2  GLU  12          1HG       GLU  12  10.332   3.705   2.887
  108    HG3  GLU  12          2HG       GLU  12  10.327   2.977   4.494
  109    H    GLU  13           H        GLU  13  10.253   1.019   0.170
  110    HA   GLU  13           HA       GLU  13   8.606   3.186  -0.478
  111    HB2  GLU  13          1HB       GLU  13   9.133   0.769  -2.230
  112    HB3  GLU  13          2HB       GLU  13   8.695   2.385  -2.764
  113    HG2  GLU  13          1HG       GLU  13  11.278   1.594  -1.429
  114    HG3  GLU  13          2HG       GLU  13  11.048   1.931  -3.141
  115    H    CYS  14           H        CYS  14   7.936  -0.289  -0.504
  116    HA   CYS  14           HA       CYS  14   5.256  -0.183  -1.327
  117    HB2  CYS  14          2HB       CYS  14   6.398  -2.267  -1.435
  118    HB3  CYS  14          1HB       CYS  14   6.830  -2.211   0.268
  119    H    ARG  15           H        ARG  15   6.664  -0.342   1.924
  120    HA   ARG  15           HA       ARG  15   4.235  -0.469   3.336
  121    HB2  ARG  15          1HB       ARG  15   6.895   0.641   4.268
  122    HB3  ARG  15          2HB       ARG  15   5.564   0.154   5.311
  123    HG2  ARG  15          1HG       ARG  15   5.801  -2.153   4.597
  124    HG3  ARG  15          2HG       ARG  15   7.072  -1.695   3.462
  125    HD2  ARG  15          1HD       ARG  15   8.393  -0.856   5.430
  126    HD3  ARG  15          2HD       ARG  15   7.165  -1.574   6.475
  127    HE   ARG  15           HE       ARG  15   8.088  -3.523   4.668
  128   HH11  ARG  15          1HH1      ARG  15   9.139  -1.737   7.492
  129   HH12  ARG  15          2HH1      ARG  15  10.301  -2.934   7.975
  130   HH21  ARG  15          1HH2      ARG  15   9.633  -5.087   5.283
  131   HH22  ARG  15          2HH2      ARG  15  10.576  -4.844   6.724
  132    H    LYS  16           H        LYS  16   6.327   2.310   2.559
  133    HA   LYS  16           HA       LYS  16   4.780   4.274   3.752
  134    HB2  LYS  16          1HB       LYS  16   7.173   4.322   2.625
  135    HB3  LYS  16          2HB       LYS  16   6.257   4.855   1.216
  136    HG2  LYS  16          1HG       LYS  16   5.235   6.616   2.670
  137    HG3  LYS  16          2HG       LYS  16   6.388   6.142   3.915
  138    HD2  LYS  16          1HD       LYS  16   8.247   6.713   2.420
  139    HD3  LYS  16          2HD       LYS  16   7.093   7.173   1.161
  140    HE2  LYS  16          1HE       LYS  16   6.178   8.899   2.698
  141    HE3  LYS  16          2HE       LYS  16   7.439   8.484   3.862
  142    HZ1  LYS  16          1HZ       LYS  16   9.081   9.071   2.124
  143    HZ2  LYS  16          2HZ       LYS  16   8.138  10.373   2.638
  144    HZ3  LYS  16          3HZ       LYS  16   7.812   9.629   1.151
  145    H    TYR  17           H        TYR  17   4.632   2.861   0.501
  146    HA   TYR  17           HA       TYR  17   2.691   4.548  -0.606
  147    HB2  TYR  17          2HB       TYR  17   3.912   2.947  -1.978
  148    HB3  TYR  17          1HB       TYR  17   3.204   1.596  -1.101
  149    HD1  TYR  17          1HD       TYR  17   1.044   0.743  -1.684
  150    HD2  TYR  17          2HD       TYR  17   2.463   4.334  -3.497
  151    HE1  TYR  17          1HE       TYR  17  -0.805   0.654  -3.300
  152    HE2  TYR  17          2HE       TYR  17   0.612   4.245  -5.118
  153    HH   TYR  17           HH       TYR  17  -0.898   2.501  -6.100
  154    H    ALA  18           H        ALA  18   2.318   1.496   1.170
  155    HA   ALA  18           HA       ALA  18  -0.467   1.344   1.204
  156    HB1  ALA  18          1HB       ALA  18   1.470   0.444   3.349
  157    HB2  ALA  18          2HB       ALA  18   1.004  -0.484   1.924
  158    HB3  ALA  18          3HB       ALA  18  -0.197  -0.105   3.160
  159    H    GLU  19           H        GLU  19   1.764   2.907   3.466
  160    HA   GLU  19           HA       GLU  19  -0.108   3.838   5.324
  161    HB2  GLU  19          1HB       GLU  19   2.277   3.829   5.800
  162    HB3  GLU  19          2HB       GLU  19   2.577   4.984   4.511
  163    HG2  GLU  19          1HG       GLU  19   2.664   6.017   6.727
  164    HG3  GLU  19          2HG       GLU  19   1.388   6.706   5.723
  165    H    GLU  20           H        GLU  20   1.336   5.516   2.537
  166    HA   GLU  20           HA       GLU  20   0.054   7.951   2.710
  167    HB2  GLU  20          1HB       GLU  20   0.861   6.382   0.249
  168    HB3  GLU  20          2HB       GLU  20   0.304   8.049   0.193
  169    HG2  GLU  20          1HG       GLU  20   2.713   7.123   1.750
  170    HG3  GLU  20          2HG       GLU  20   2.778   7.768   0.114
  171    H    LEU  21           H        LEU  21  -1.018   5.082   0.898
  172    HA   LEU  21           HA       LEU  21  -3.409   6.219  -0.063
  173    HB2  LEU  21          1HB       LEU  21  -2.307   4.226  -1.020
  174    HB3  LEU  21          2HB       LEU  21  -2.739   3.309   0.410
  175    HG   LEU  21           HG       LEU  21  -5.103   3.473  -0.133
  176   HD11  LEU  21          1HD1      LEU  21  -5.850   4.514  -2.238
  177   HD12  LEU  21          2HD1      LEU  21  -4.215   5.129  -2.498
  178   HD13  LEU  21          3HD1      LEU  21  -5.159   5.685  -1.114
  179   HD21  LEU  21          1HD2      LEU  21  -5.139   2.159  -2.191
  180   HD22  LEU  21          2HD2      LEU  21  -3.828   1.638  -1.133
  181   HD23  LEU  21          3HD2      LEU  21  -3.478   2.642  -2.543
  182    H    SER  22           H        SER  22  -2.663   4.396   2.860
  183    HA   SER  22           HA       SER  22  -5.352   3.970   3.664
  184    HB2  SER  22          1HB       SER  22  -3.409   2.607   4.446
  185    HB3  SER  22          2HB       SER  22  -2.856   3.990   5.389
  186    HG   SER  22           HG       SER  22  -5.141   2.378   5.755
  187    H    ARG  23           H        ARG  23  -2.927   6.424   4.549
  188    HA   ARG  23           HA       ARG  23  -4.680   7.706   6.425
  189    HB2  ARG  23          1HB       ARG  23  -2.911   9.419   6.617
  190    HB3  ARG  23          2HB       ARG  23  -2.290   7.791   6.820
  191    HG2  ARG  23          1HG       ARG  23  -0.666   8.788   5.511
  192    HG3  ARG  23          2HG       ARG  23  -1.657   7.957   4.317
  193    HD2  ARG  23          1HD       ARG  23  -1.028  10.226   3.610
  194    HD3  ARG  23          2HD       ARG  23  -2.772  10.019   3.741
  195    HE   ARG  23           HE       ARG  23  -1.480  11.132   6.083
  196   HH11  ARG  23          1HH1      ARG  23  -3.078  11.803   3.045
  197   HH12  ARG  23          2HH1      ARG  23  -3.565  13.404   3.496
  198   HH21  ARG  23          1HH2      ARG  23  -2.085  13.245   6.686
  199   HH22  ARG  23          2HH2      ARG  23  -2.992  14.225   5.578
  200    H    ARG  24           H        ARG  24  -4.026   8.010   3.039
  201    HA   ARG  24           HA       ARG  24  -5.063  10.678   2.802
  202    HB2  ARG  24          1HB       ARG  24  -3.377   9.778   1.233
  203    HB3  ARG  24          2HB       ARG  24  -4.555   8.612   0.647
  204    HG2  ARG  24          1HG       ARG  24  -5.930  10.371  -0.256
  205    HG3  ARG  24          2HG       ARG  24  -4.902  11.603   0.475
  206    HD2  ARG  24          1HD       ARG  24  -4.363  11.435  -1.862
  207    HD3  ARG  24          2HD       ARG  24  -3.016  10.794  -0.923
  208    HE   ARG  24           HE       ARG  24  -5.025   9.021  -2.152
  209   HH11  ARG  24          1HH1      ARG  24  -1.687   9.937  -1.598
  210   HH12  ARG  24          2HH1      ARG  24  -1.044   8.659  -2.581
  211   HH21  ARG  24          1HH2      ARG  24  -4.179   7.322  -3.416
  212   HH22  ARG  24          2HH2      ARG  24  -2.460   7.171  -3.615
  213    H    THR  25           H        THR  25  -6.233   7.431   2.038
  214    HA   THR  25           HA       THR  25  -8.984   8.489   1.951
  215    HB   THR  25           HB       THR  25  -9.410   6.582   0.278
  216    HG1  THR  25          1HG       THR  25  -7.122   5.783   0.756
  217   HG21  THR  25          1HG2      THR  25  -8.689   7.932  -1.643
  218   HG22  THR  25          2HG2      THR  25  -7.660   8.895  -0.584
  219   HG23  THR  25          3HG2      THR  25  -9.411   8.943  -0.390
  220    H    GLY  26           H        GLY  26 -10.024   7.737   3.667
  221    HA2  GLY  26          1HA       GLY  26  -9.195   5.481   5.192
  222    HA3  GLY  26          2HA       GLY  26 -10.680   6.396   5.410
  223    H    CYS  27           H        CYS  27  -9.182   3.958   3.338
  224    HA   CYS  27           HA       CYS  27 -11.834   2.725   2.946
  225    HB2  CYS  27          2HB       CYS  27  -9.472   2.881   1.053
  226    HB3  CYS  27          1HB       CYS  27 -10.881   1.858   0.777
  227    H    GLU  28           H        GLU  28 -10.970   0.358   1.795
  228    HA   GLU  28           HA       GLU  28  -9.429  -0.914   3.971
  229    HB2  GLU  28          1HB       GLU  28 -11.811  -1.642   3.755
  230    HB3  GLU  28          2HB       GLU  28 -11.479  -2.156   2.106
  231    HG2  GLU  28          1HG       GLU  28 -11.429  -4.094   3.451
  232    HG3  GLU  28          2HG       GLU  28  -9.754  -3.720   3.043
  233    H    VAL  29           H        VAL  29  -7.385  -1.107   3.258
  234    HA   VAL  29           HA       VAL  29  -6.948  -1.764   0.413
  235    HB   VAL  29           HB       VAL  29  -6.314   0.543   0.864
  236   HG11  VAL  29          1HG1      VAL  29  -4.467  -0.581   2.978
  237   HG12  VAL  29          2HG1      VAL  29  -5.907   0.399   3.258
  238   HG13  VAL  29          3HG1      VAL  29  -4.511   1.101   2.442
  239   HG21  VAL  29          1HG2      VAL  29  -3.894  -1.237   0.527
  240   HG22  VAL  29          2HG2      VAL  29  -3.979   0.475   0.111
  241   HG23  VAL  29          3HG2      VAL  29  -4.976  -0.694  -0.756
  242    H    GLU  30           H        GLU  30  -5.422  -3.232  -0.121
  243    HA   GLU  30           HA       GLU  30  -3.683  -4.327   1.986
  244    HB2  GLU  30          1HB       GLU  30  -5.461  -5.965   1.620
  245    HB3  GLU  30          2HB       GLU  30  -5.184  -5.919  -0.116
  246    HG2  GLU  30          1HG       GLU  30  -2.878  -6.784   0.297
  247    HG3  GLU  30          2HG       GLU  30  -3.308  -6.967   1.997
  248    H    VAL  31           H        VAL  31  -1.614  -4.021   1.396
  249    HA   VAL  31           HA       VAL  31  -0.990  -3.813  -1.476
  250    HB   VAL  31           HB       VAL  31   0.430  -2.460   0.840
  251   HG11  VAL  31          1HG1      VAL  31   0.908  -2.254  -2.139
  252   HG12  VAL  31          2HG1      VAL  31   1.984  -2.995  -0.954
  253   HG13  VAL  31          3HG1      VAL  31   1.685  -1.257  -0.909
  254   HG21  VAL  31          1HG2      VAL  31  -0.457  -0.372  -0.082
  255   HG22  VAL  31          2HG2      VAL  31  -1.754  -1.464   0.402
  256   HG23  VAL  31          3HG2      VAL  31  -1.345  -1.283  -1.305
  257    H    GLU  32           H        GLU  32   0.760  -4.897  -2.240
  258    HA   GLU  32           HA       GLU  32   2.126  -6.756  -0.402
  259    HB2  GLU  32          1HB       GLU  32   0.737  -7.887  -2.107
  260    HB3  GLU  32          2HB       GLU  32   1.610  -7.045  -3.382
  261    HG2  GLU  32          1HG       GLU  32   3.659  -8.201  -2.783
  262    HG3  GLU  32          2HG       GLU  32   2.845  -8.985  -1.431
  263    H    CYS  33           H        CYS  33   4.378  -7.053  -0.702
  264    HA   CYS  33           HA       CYS  33   5.664  -4.688  -1.907
  265    HB2  CYS  33          2HB       CYS  33   6.619  -6.330   0.456
  266    HB3  CYS  33          1HB       CYS  33   7.323  -4.826  -0.134
  267    H    GLU  34           H        GLU  34   6.885  -5.111  -3.584
  268    HA   GLU  34           HA       GLU  34   8.318  -7.676  -3.779
  269    HB2  GLU  34          1HB       GLU  34   6.893  -6.249  -6.038
  270    HB3  GLU  34          2HB       GLU  34   7.859  -7.708  -6.194
  271    HG2  GLU  34          1HG       GLU  34   6.260  -8.898  -4.753
  272    HG3  GLU  34          2HG       GLU  34   5.274  -7.436  -4.669
  273    H    THR  35           H        THR  35   9.887  -7.434  -5.792
  274    HA   THR  35           HA       THR  35  10.962  -4.786  -6.160
  275    HB   THR  35           HB       THR  35  12.149  -5.244  -4.149
  276    HG1  THR  35          1HG       THR  35  14.010  -4.722  -4.984
  277   HG21  THR  35          1HG2      THR  35  11.753  -7.640  -3.953
  278   HG22  THR  35          2HG2      THR  35  13.473  -7.290  -3.775
  279   HG23  THR  35          3HG2      THR  35  12.862  -7.952  -5.291
  Start of MODEL   16
    1    H1   CYS   1          1H        CYS   1 -15.802  -0.505  -0.787
    2    H2   CYS   1          2H        CYS   1 -16.344   0.903  -1.544
    3    H3   CYS   1          3H        CYS   1 -15.429   1.004  -0.126
    4    HA   CYS   1           HA       CYS   1 -14.475  -0.058  -2.708
    5    HB2  CYS   1          2HB       CYS   1 -13.004   2.033  -2.604
    6    HB3  CYS   1          1HB       CYS   1 -14.703   2.287  -2.981
    7    H    LYS   2           H        LYS   2 -13.461  -1.870  -1.885
    8    HA   LYS   2           HA       LYS   2 -11.135  -1.297  -0.159
    9    HB2  LYS   2          1HB       LYS   2 -11.106  -3.841   0.200
   10    HB3  LYS   2          2HB       LYS   2 -12.347  -2.920   1.038
   11    HG2  LYS   2          1HG       LYS   2 -14.039  -3.665  -0.417
   12    HG3  LYS   2          2HG       LYS   2 -12.874  -4.265  -1.597
   13    HD2  LYS   2          1HD       LYS   2 -14.038  -6.018  -0.194
   14    HD3  LYS   2          2HD       LYS   2 -12.277  -6.098  -0.222
   15    HE2  LYS   2          1HE       LYS   2 -13.159  -6.445   2.038
   16    HE3  LYS   2          2HE       LYS   2 -12.171  -4.991   1.947
   17    HZ1  LYS   2          1HZ       LYS   2 -14.155  -4.597   3.228
   18    HZ2  LYS   2          2HZ       LYS   2 -15.139  -5.082   1.942
   19    HZ3  LYS   2          3HZ       LYS   2 -14.209  -3.679   1.812
   20    H    GLN   3           H        GLN   3  -9.155  -1.660  -0.996
   21    HA   GLN   3           HA       GLN   3  -9.094  -2.515  -3.818
   22    HB2  GLN   3          1HB       GLN   3  -7.252  -0.547  -2.441
   23    HB3  GLN   3          2HB       GLN   3  -7.276  -0.940  -4.157
   24    HG2  GLN   3          1HG       GLN   3  -9.474   0.439  -2.618
   25    HG3  GLN   3          2HG       GLN   3  -8.336   1.206  -3.724
   26   HE21  GLN   3          1HE2      GLN   3 -10.023   0.246  -6.636
   27   HE22  GLN   3          2HE2      GLN   3  -8.559   0.856  -5.950
   28    H    ARG   4           H        ARG   4  -7.336  -3.689  -4.560
   29    HA   ARG   4           HA       ARG   4  -5.445  -4.752  -2.563
   30    HB2  ARG   4          1HB       ARG   4  -7.176  -6.210  -4.517
   31    HB3  ARG   4          2HB       ARG   4  -5.548  -6.823  -4.279
   32    HG2  ARG   4          1HG       ARG   4  -7.361  -6.300  -1.942
   33    HG3  ARG   4          2HG       ARG   4  -7.449  -7.808  -2.855
   34    HD2  ARG   4          1HD       ARG   4  -4.959  -6.720  -1.526
   35    HD3  ARG   4          2HD       ARG   4  -5.990  -7.991  -0.863
   36    HE   ARG   4           HE       ARG   4  -5.363  -8.955  -3.303
   37   HH11  ARG   4          1HH1      ARG   4  -3.366  -7.757  -0.666
   38   HH12  ARG   4          2HH1      ARG   4  -2.009  -8.730  -1.115
   39   HH21  ARG   4          1HH2      ARG   4  -3.585 -10.210  -3.870
   40   HH22  ARG   4          2HH2      ARG   4  -2.120 -10.114  -2.948
   41    H    ARG   5           H        ARG   5  -3.487  -4.050  -3.068
   42    HA   ARG   5           HA       ARG   5  -2.735  -3.735  -5.898
   43    HB2  ARG   5          1HB       ARG   5  -2.310  -1.802  -3.613
   44    HB3  ARG   5          2HB       ARG   5  -1.369  -1.723  -5.096
   45    HG2  ARG   5          1HG       ARG   5  -4.366  -1.455  -4.900
   46    HG3  ARG   5          2HG       ARG   5  -3.219  -0.129  -5.102
   47    HD2  ARG   5          1HD       ARG   5  -2.452  -1.255  -7.217
   48    HD3  ARG   5          2HD       ARG   5  -3.809  -2.367  -7.035
   49    HE   ARG   5           HE       ARG   5  -4.811   0.235  -6.911
   50   HH11  ARG   5          1HH1      ARG   5  -3.259  -1.885  -9.226
   51   HH12  ARG   5          2HH1      ARG   5  -3.981  -1.119 -10.605
   52   HH21  ARG   5          1HH2      ARG   5  -5.764   1.246  -8.738
   53   HH22  ARG   5          2HH2      ARG   5  -5.396   0.653 -10.328
   54    H    ARG   6           H        ARG   6  -0.478  -3.817  -6.307
   55    HA   ARG   6           HA       ARG   6   1.224  -4.824  -4.132
   56    HB2  ARG   6          1HB       ARG   6   2.346  -6.333  -5.732
   57    HB3  ARG   6          2HB       ARG   6   0.654  -6.754  -5.514
   58    HG2  ARG   6          1HG       ARG   6   0.095  -5.677  -7.632
   59    HG3  ARG   6          2HG       ARG   6   1.784  -5.206  -7.845
   60    HD2  ARG   6          1HD       ARG   6   2.454  -7.527  -7.950
   61    HD3  ARG   6          2HD       ARG   6   0.806  -8.051  -7.609
   62    HE   ARG   6           HE       ARG   6   0.926  -6.409  -9.934
   63   HH11  ARG   6          1HH1      ARG   6   1.552  -9.653  -8.787
   64   HH12  ARG   6          2HH1      ARG   6   1.286 -10.383 -10.337
   65   HH21  ARG   6          1HH2      ARG   6   0.595  -7.354 -11.971
   66   HH22  ARG   6          2HH2      ARG   6   0.746  -9.076 -12.157
   67    H    TYR   7           H        TYR   7   3.315  -4.029  -4.172
   68    HA   TYR   7           HA       TYR   7   3.937  -2.083  -6.292
   69    HB2  TYR   7          2HB       TYR   7   3.007  -1.093  -4.059
   70    HB3  TYR   7          1HB       TYR   7   4.580  -1.521  -3.395
   71    HD1  TYR   7          1HD       TYR   7   6.619  -0.367  -4.189
   72    HD2  TYR   7          2HD       TYR   7   2.756   0.739  -5.598
   73    HE1  TYR   7          1HE       TYR   7   7.537   1.744  -5.042
   74    HE2  TYR   7          2HE       TYR   7   3.668   2.855  -6.452
   75    HH   TYR   7           HH       TYR   7   7.009   3.441  -6.715
   76    H    ARG   8           H        ARG   8   5.929  -2.348  -7.092
   77    HA   ARG   8           HA       ARG   8   7.785  -4.084  -5.595
   78    HB2  ARG   8          1HB       ARG   8   6.969  -5.121  -7.668
   79    HB3  ARG   8          2HB       ARG   8   7.516  -3.729  -8.593
   80    HG2  ARG   8          1HG       ARG   8   9.822  -4.211  -8.008
   81    HG3  ARG   8          2HG       ARG   8   9.305  -5.570  -7.010
   82    HD2  ARG   8          1HD       ARG   8   8.385  -6.665  -9.014
   83    HD3  ARG   8          2HD       ARG   8   8.953  -5.314 -10.000
   84    HE   ARG   8           HE       ARG   8  11.142  -6.275  -8.580
   85   HH11  ARG   8          1HH1      ARG   8   8.972  -7.404 -11.090
   86   HH12  ARG   8          2HH1      ARG   8  10.128  -8.518 -11.754
   87   HH21  ARG   8          1HH2      ARG   8  12.662  -7.713  -9.480
   88   HH22  ARG   8          2HH2      ARG   8  12.219  -8.683 -10.853
   89    H    GLY   9           H        GLY   9   9.702  -3.309  -5.085
   90    HA2  GLY   9          1HA       GLY   9  11.374  -1.634  -6.480
   91    HA3  GLY   9          2HA       GLY   9  10.348  -0.556  -5.538
   92    H    SER  10           H        SER  10  10.062  -1.448  -3.174
   93    HA   SER  10           HA       SER  10  12.137  -2.894  -1.953
   94    HB2  SER  10          1HB       SER  10  13.307  -1.026  -0.797
   95    HB3  SER  10          2HB       SER  10  13.548  -0.977  -2.542
   96    HG   SER  10           HG       SER  10  12.640   0.907  -2.569
   97    H    GLU  11           H        GLU  11  12.099  -2.535   0.495
   98    HA   GLU  11           HA       GLU  11   9.530  -2.630   1.568
   99    HB2  GLU  11          1HB       GLU  11  12.204  -1.976   2.825
  100    HB3  GLU  11          2HB       GLU  11  10.729  -2.110   3.772
  101    HG2  GLU  11          1HG       GLU  11  11.881  -4.303   2.054
  102    HG3  GLU  11          2HG       GLU  11  12.096  -4.160   3.798
  103    H    GLU  12           H        GLU  12  11.823   0.058   1.388
  104    HA   GLU  12           HA       GLU  12  10.447   2.011   2.773
  105    HB2  GLU  12          1HB       GLU  12  12.757   2.220   1.837
  106    HB3  GLU  12          2HB       GLU  12  12.062   2.403   0.234
  107    HG2  GLU  12          1HG       GLU  12  12.675   4.559   1.092
  108    HG3  GLU  12          2HG       GLU  12  10.917   4.456   0.995
  109    H    GLU  13           H        GLU  13  10.382   1.466  -0.732
  110    HA   GLU  13           HA       GLU  13   8.438   3.340  -1.390
  111    HB2  GLU  13          1HB       GLU  13   9.173   0.749  -2.765
  112    HB3  GLU  13          2HB       GLU  13   8.189   2.013  -3.492
  113    HG2  GLU  13          1HG       GLU  13  11.009   2.442  -2.520
  114    HG3  GLU  13          2HG       GLU  13  10.598   1.998  -4.176
  115    H    CYS  14           H        CYS  14   8.007  -0.171  -0.827
  116    HA   CYS  14           HA       CYS  14   5.236  -0.131  -1.427
  117    HB2  CYS  14          2HB       CYS  14   6.480  -2.201  -1.601
  118    HB3  CYS  14          1HB       CYS  14   6.870  -2.158   0.116
  119    H    ARG  15           H        ARG  15   6.985  -0.163   1.666
  120    HA   ARG  15           HA       ARG  15   4.655  -0.377   3.259
  121    HB2  ARG  15          1HB       ARG  15   7.436   0.575   3.977
  122    HB3  ARG  15          2HB       ARG  15   6.170   0.200   5.144
  123    HG2  ARG  15          1HG       ARG  15   6.156  -2.109   4.487
  124    HG3  ARG  15          2HG       ARG  15   7.241  -1.781   3.138
  125    HD2  ARG  15          1HD       ARG  15   8.484  -2.805   4.920
  126    HD3  ARG  15          2HD       ARG  15   8.995  -1.128   4.741
  127    HE   ARG  15           HE       ARG  15   7.075  -1.056   6.686
  128   HH11  ARG  15          1HH1      ARG  15  10.037  -2.856   6.230
  129   HH12  ARG  15          2HH1      ARG  15  10.413  -2.925   7.920
  130   HH21  ARG  15          1HH2      ARG  15   7.542  -1.159   8.918
  131   HH22  ARG  15          2HH2      ARG  15   8.997  -1.949   9.458
  132    H    LYS  16           H        LYS  16   6.595   2.416   2.191
  133    HA   LYS  16           HA       LYS  16   5.063   4.383   3.540
  134    HB2  LYS  16          1HB       LYS  16   6.729   4.465   1.025
  135    HB3  LYS  16          2HB       LYS  16   5.888   5.887   1.629
  136    HG2  LYS  16          1HG       LYS  16   7.887   4.308   3.241
  137    HG3  LYS  16          2HG       LYS  16   8.293   5.727   2.274
  138    HD2  LYS  16          1HD       LYS  16   6.654   7.046   3.602
  139    HD3  LYS  16          2HD       LYS  16   6.385   5.627   4.616
  140    HE2  LYS  16          1HE       LYS  16   7.981   7.266   5.597
  141    HE3  LYS  16          2HE       LYS  16   8.663   5.655   5.368
  142    HZ1  LYS  16          1HZ       LYS  16  10.116   7.550   4.670
  143    HZ2  LYS  16          2HZ       LYS  16   9.034   7.846   3.405
  144    HZ3  LYS  16          3HZ       LYS  16   9.857   6.373   3.486
  145    H    TYR  17           H        TYR  17   4.772   2.953   0.307
  146    HA   TYR  17           HA       TYR  17   2.617   4.420  -0.657
  147    HB2  TYR  17          2HB       TYR  17   3.916   2.860  -2.047
  148    HB3  TYR  17          1HB       TYR  17   3.282   1.496  -1.139
  149    HD1  TYR  17          1HD       TYR  17   1.189   0.519  -1.707
  150    HD2  TYR  17          2HD       TYR  17   2.352   4.210  -3.489
  151    HE1  TYR  17          1HE       TYR  17  -0.668   0.325  -3.307
  152    HE2  TYR  17          2HE       TYR  17   0.494   4.027  -5.094
  153    HH   TYR  17           HH       TYR  17  -2.052   1.823  -4.728
  154    H    ALA  18           H        ALA  18   2.626   1.442   1.276
  155    HA   ALA  18           HA       ALA  18  -0.176   1.082   1.329
  156    HB1  ALA  18          1HB       ALA  18   1.912   0.064   3.267
  157    HB2  ALA  18          2HB       ALA  18   1.396  -0.740   1.785
  158    HB3  ALA  18          3HB       ALA  18   0.258  -0.536   3.116
  159    H    GLU  19           H        GLU  19   2.081   2.574   3.626
  160    HA   GLU  19           HA       GLU  19   0.275   3.159   5.685
  161    HB2  GLU  19          1HB       GLU  19   2.908   3.403   5.481
  162    HB3  GLU  19          2HB       GLU  19   2.521   5.047   5.004
  163    HG2  GLU  19          1HG       GLU  19   1.681   3.762   7.603
  164    HG3  GLU  19          2HG       GLU  19   3.093   4.792   7.397
  165    H    GLU  20           H        GLU  20   1.462   5.302   3.099
  166    HA   GLU  20           HA       GLU  20  -0.216   7.466   3.593
  167    HB2  GLU  20          1HB       GLU  20   0.907   6.560   0.936
  168    HB3  GLU  20          2HB       GLU  20   0.249   8.156   1.275
  169    HG2  GLU  20          1HG       GLU  20   2.030   8.504   2.947
  170    HG3  GLU  20          2HG       GLU  20   2.703   6.930   2.523
  171    H    LEU  21           H        LEU  21  -0.708   4.603   1.575
  172    HA   LEU  21           HA       LEU  21  -3.097   5.371   0.351
  173    HB2  LEU  21          1HB       LEU  21  -1.568   2.935   0.688
  174    HB3  LEU  21          2HB       LEU  21  -3.273   2.585   0.877
  175    HG   LEU  21           HG       LEU  21  -2.504   2.232  -1.429
  176   HD11  LEU  21          1HD1      LEU  21  -4.265   3.501  -2.552
  177   HD12  LEU  21          2HD1      LEU  21  -4.421   4.545  -1.140
  178   HD13  LEU  21          3HD1      LEU  21  -4.831   2.834  -1.020
  179   HD21  LEU  21          1HD2      LEU  21  -1.876   4.140  -2.828
  180   HD22  LEU  21          2HD2      LEU  21  -0.735   3.908  -1.502
  181   HD23  LEU  21          3HD2      LEU  21  -1.936   5.200  -1.418
  182    H    SER  22           H        SER  22  -2.601   3.508   3.326
  183    HA   SER  22           HA       SER  22  -5.302   3.111   3.914
  184    HB2  SER  22          1HB       SER  22  -3.447   1.817   4.916
  185    HB3  SER  22          2HB       SER  22  -2.971   3.236   5.848
  186    HG   SER  22           HG       SER  22  -4.654   2.977   7.149
  187    H    ARG  23           H        ARG  23  -3.056   5.675   4.974
  188    HA   ARG  23           HA       ARG  23  -5.063   6.856   6.692
  189    HB2  ARG  23          1HB       ARG  23  -3.403   8.517   7.225
  190    HB3  ARG  23          2HB       ARG  23  -2.638   6.933   7.217
  191    HG2  ARG  23          1HG       ARG  23  -1.796   7.413   4.922
  192    HG3  ARG  23          2HG       ARG  23  -2.456   9.044   5.069
  193    HD2  ARG  23          1HD       ARG  23  -0.351   7.800   6.837
  194    HD3  ARG  23          2HD       ARG  23  -0.079   9.013   5.588
  195    HE   ARG  23           HE       ARG  23  -1.860  10.232   7.206
  196   HH11  ARG  23          1HH1      ARG  23   1.131   8.531   7.860
  197   HH12  ARG  23          2HH1      ARG  23   1.553   9.537   9.218
  198   HH21  ARG  23          1HH2      ARG  23  -1.325  11.545   8.987
  199   HH22  ARG  23          2HH2      ARG  23   0.146  11.259   9.865
  200    H    ARG  24           H        ARG  24  -3.787   7.540   3.469
  201    HA   ARG  24           HA       ARG  24  -4.951  10.193   3.387
  202    HB2  ARG  24          1HB       ARG  24  -2.746   9.768   2.399
  203    HB3  ARG  24          2HB       ARG  24  -3.457   8.615   1.280
  204    HG2  ARG  24          1HG       ARG  24  -4.732  10.412   0.225
  205    HG3  ARG  24          2HG       ARG  24  -4.041  11.570   1.362
  206    HD2  ARG  24          1HD       ARG  24  -2.851  11.639  -0.770
  207    HD3  ARG  24          2HD       ARG  24  -1.794  11.061   0.520
  208    HE   ARG  24           HE       ARG  24  -3.162   9.090  -1.168
  209   HH11  ARG  24          1HH1      ARG  24  -0.160  10.652  -0.228
  210   HH12  ARG  24          2HH1      ARG  24   0.838   9.469  -1.018
  211   HH21  ARG  24          1HH2      ARG  24  -1.836   7.534  -2.181
  212   HH22  ARG  24          2HH2      ARG  24  -0.107   7.684  -2.093
  213    H    THR  25           H        THR  25  -5.457   7.079   1.761
  214    HA   THR  25           HA       THR  25  -7.519   8.113   0.052
  215    HB   THR  25           HB       THR  25  -6.786   5.229   0.635
  216    HG1  THR  25          1HG       THR  25  -5.593   7.214  -0.869
  217   HG21  THR  25          1HG2      THR  25  -8.284   6.458  -1.698
  218   HG22  THR  25          2HG2      THR  25  -8.988   5.453  -0.430
  219   HG23  THR  25          3HG2      THR  25  -7.815   4.765  -1.551
  220    H    GLY  26           H        GLY  26  -9.616   8.325   0.495
  221    HA2  GLY  26          1HA       GLY  26 -10.720   7.502   3.028
  222    HA3  GLY  26          2HA       GLY  26 -11.569   8.334   1.731
  223    H    CYS  27           H        CYS  27 -10.044   5.189   2.317
  224    HA   CYS  27           HA       CYS  27 -12.405   3.677   1.792
  225    HB2  CYS  27          2HB       CYS  27 -10.263   3.850  -0.342
  226    HB3  CYS  27          1HB       CYS  27 -11.314   2.445  -0.201
  227    H    GLU  28           H        GLU  28 -11.348   1.236   1.216
  228    HA   GLU  28           HA       GLU  28  -9.328   0.799   3.326
  229    HB2  GLU  28          1HB       GLU  28 -11.452  -0.263   3.869
  230    HB3  GLU  28          2HB       GLU  28 -11.517  -1.025   2.287
  231    HG2  GLU  28          1HG       GLU  28  -9.585  -2.394   2.843
  232    HG3  GLU  28          2HG       GLU  28  -9.444  -1.589   4.404
  233    H    VAL  29           H        VAL  29  -7.550  -0.511   2.803
  234    HA   VAL  29           HA       VAL  29  -7.285  -1.392   0.038
  235    HB   VAL  29           HB       VAL  29  -6.603   0.968  -0.019
  236   HG11  VAL  29          1HG1      VAL  29  -4.636   1.754   1.211
  237   HG12  VAL  29          2HG1      VAL  29  -4.508   0.190   2.016
  238   HG13  VAL  29          3HG1      VAL  29  -5.907   1.223   2.313
  239   HG21  VAL  29          1HG2      VAL  29  -4.379   0.674  -1.020
  240   HG22  VAL  29          2HG2      VAL  29  -5.490  -0.599  -1.527
  241   HG23  VAL  29          3HG2      VAL  29  -4.268  -0.932  -0.299
  242    H    GLU  30           H        GLU  30  -5.704  -2.904  -0.292
  243    HA   GLU  30           HA       GLU  30  -4.020  -3.712   1.984
  244    HB2  GLU  30          1HB       GLU  30  -6.179  -5.177   1.284
  245    HB3  GLU  30          2HB       GLU  30  -5.040  -5.812   0.108
  246    HG2  GLU  30          1HG       GLU  30  -4.752  -5.849   3.107
  247    HG3  GLU  30          2HG       GLU  30  -5.090  -7.221   2.054
  248    H    VAL  31           H        VAL  31  -1.914  -4.354   1.350
  249    HA   VAL  31           HA       VAL  31  -1.274  -3.956  -1.499
  250    HB   VAL  31           HB       VAL  31   0.125  -2.482   0.759
  251   HG11  VAL  31          1HG1      VAL  31   1.399  -1.364  -1.032
  252   HG12  VAL  31          2HG1      VAL  31   0.639  -2.424  -2.221
  253   HG13  VAL  31          3HG1      VAL  31   1.702  -3.102  -0.987
  254   HG21  VAL  31          1HG2      VAL  31  -0.754  -0.434  -0.297
  255   HG22  VAL  31          2HG2      VAL  31  -2.051  -1.491   0.259
  256   HG23  VAL  31          3HG2      VAL  31  -1.647  -1.420  -1.457
  257    H    GLU  32           H        GLU  32   0.544  -5.006  -2.236
  258    HA   GLU  32           HA       GLU  32   1.908  -6.827  -0.344
  259    HB2  GLU  32          1HB       GLU  32   1.256  -7.102  -3.284
  260    HB3  GLU  32          2HB       GLU  32   2.448  -8.126  -2.495
  261    HG2  GLU  32          1HG       GLU  32  -0.394  -7.895  -1.541
  262    HG3  GLU  32          2HG       GLU  32   0.126  -9.085  -2.732
  263    H    CYS  33           H        CYS  33   4.178  -7.112  -0.589
  264    HA   CYS  33           HA       CYS  33   5.502  -4.773  -1.812
  265    HB2  CYS  33          2HB       CYS  33   6.266  -6.330   0.678
  266    HB3  CYS  33          1HB       CYS  33   7.194  -4.997  -0.006
  267    H    GLU  34           H        GLU  34   6.837  -5.202  -3.415
  268    HA   GLU  34           HA       GLU  34   8.376  -7.717  -3.395
  269    HB2  GLU  34          1HB       GLU  34   7.143  -6.374  -5.826
  270    HB3  GLU  34          2HB       GLU  34   8.215  -7.768  -5.872
  271    HG2  GLU  34          1HG       GLU  34   6.565  -9.086  -4.636
  272    HG3  GLU  34          2HG       GLU  34   5.486  -7.693  -4.581
  273    H    THR  35           H        THR  35  10.346  -7.490  -4.891
  274    HA   THR  35           HA       THR  35  11.388  -4.735  -4.916
  275    HB   THR  35           HB       THR  35  12.927  -7.156  -3.920
  276    HG1  THR  35          1HG       THR  35  11.265  -5.517  -2.648
  277   HG21  THR  35          1HG2      THR  35  14.695  -5.533  -3.373
  278   HG22  THR  35          2HG2      THR  35  13.749  -4.248  -4.120
  279   HG23  THR  35          3HG2      THR  35  14.374  -5.571  -5.106
  Start of MODEL   17
    1    H1   CYS   1          1H        CYS   1 -15.941  -0.145   0.339
    2    H2   CYS   1          2H        CYS   1 -14.836  -0.005   1.614
    3    H3   CYS   1          3H        CYS   1 -15.101  -1.505   0.890
    4    HA   CYS   1           HA       CYS   1 -14.178  -0.752  -1.162
    5    HB2  CYS   1          2HB       CYS   1 -12.933   1.527  -1.018
    6    HB3  CYS   1          1HB       CYS   1 -14.672   1.527  -1.291
    7    H    LYS   2           H        LYS   2 -12.995  -2.540  -0.441
    8    HA   LYS   2           HA       LYS   2 -10.430  -1.864   0.852
    9    HB2  LYS   2          1HB       LYS   2 -11.793  -4.566   0.663
   10    HB3  LYS   2          2HB       LYS   2 -10.228  -4.265   1.408
   11    HG2  LYS   2          1HG       LYS   2 -11.373  -2.755   3.035
   12    HG3  LYS   2          2HG       LYS   2 -12.914  -3.269   2.344
   13    HD2  LYS   2          1HD       LYS   2 -12.398  -5.598   2.937
   14    HD3  LYS   2          2HD       LYS   2 -10.860  -5.083   3.629
   15    HE2  LYS   2          1HE       LYS   2 -12.143  -3.648   5.226
   16    HE3  LYS   2          2HE       LYS   2 -13.628  -4.349   4.585
   17    HZ1  LYS   2          1HZ       LYS   2 -12.792  -6.547   5.271
   18    HZ2  LYS   2          2HZ       LYS   2 -12.989  -5.496   6.577
   19    HZ3  LYS   2          3HZ       LYS   2 -11.444  -5.808   5.976
   20    H    GLN   3           H        GLN   3  -8.578  -2.225  -0.305
   21    HA   GLN   3           HA       GLN   3  -8.842  -3.503  -2.948
   22    HB2  GLN   3          1HB       GLN   3  -7.538  -0.826  -2.398
   23    HB3  GLN   3          2HB       GLN   3  -7.488  -1.676  -3.937
   24    HG2  GLN   3          1HG       GLN   3  -9.872  -1.448  -4.199
   25    HG3  GLN   3          2HG       GLN   3 -10.019  -0.733  -2.593
   26   HE21  GLN   3          1HE2      GLN   3  -9.058   2.473  -3.583
   27   HE22  GLN   3          2HE2      GLN   3  -9.334   1.387  -2.269
   28    H    ARG   4           H        ARG   4  -7.053  -4.527  -3.725
   29    HA   ARG   4           HA       ARG   4  -4.613  -4.524  -2.062
   30    HB2  ARG   4          1HB       ARG   4  -6.073  -6.732  -3.449
   31    HB3  ARG   4          2HB       ARG   4  -4.318  -6.820  -3.422
   32    HG2  ARG   4          1HG       ARG   4  -6.055  -6.556  -0.970
   33    HG3  ARG   4          2HG       ARG   4  -5.395  -8.073  -1.586
   34    HD2  ARG   4          1HD       ARG   4  -3.109  -7.120  -1.338
   35    HD3  ARG   4          2HD       ARG   4  -3.824  -5.682  -0.610
   36    HE   ARG   4           HE       ARG   4  -4.708  -7.923   0.819
   37   HH11  ARG   4          1HH1      ARG   4  -1.740  -6.175   0.205
   38   HH12  ARG   4          2HH1      ARG   4  -1.028  -6.576   1.736
   39   HH21  ARG   4          1HH2      ARG   4  -3.769  -8.470   2.834
   40   HH22  ARG   4          2HH2      ARG   4  -2.187  -7.883   3.233
   41    H    ARG   5           H        ARG   5  -2.833  -3.760  -3.015
   42    HA   ARG   5           HA       ARG   5  -2.827  -3.506  -5.969
   43    HB2  ARG   5          1HB       ARG   5  -1.497  -1.671  -3.965
   44    HB3  ARG   5          2HB       ARG   5  -1.488  -1.468  -5.708
   45    HG2  ARG   5          1HG       ARG   5  -4.008  -1.424  -4.053
   46    HG3  ARG   5          2HG       ARG   5  -3.062   0.018  -4.419
   47    HD2  ARG   5          1HD       ARG   5  -4.800  -0.046  -6.018
   48    HD3  ARG   5          2HD       ARG   5  -3.347  -0.568  -6.866
   49    HE   ARG   5           HE       ARG   5  -4.385  -2.914  -6.169
   50   HH11  ARG   5          1HH1      ARG   5  -5.925  -0.098  -7.569
   51   HH12  ARG   5          2HH1      ARG   5  -7.130  -1.023  -8.410
   52   HH21  ARG   5          1HH2      ARG   5  -5.972  -4.131  -7.259
   53   HH22  ARG   5          2HH2      ARG   5  -7.159  -3.316  -8.229
   54    H    ARG   6           H        ARG   6  -0.628  -3.464  -6.943
   55    HA   ARG   6           HA       ARG   6   1.318  -5.004  -5.344
   56    HB2  ARG   6          1HB       ARG   6   0.710  -6.329  -7.249
   57    HB3  ARG   6          2HB       ARG   6   0.898  -4.961  -8.342
   58    HG2  ARG   6          1HG       ARG   6   3.297  -4.945  -7.977
   59    HG3  ARG   6          2HG       ARG   6   3.152  -6.222  -6.773
   60    HD2  ARG   6          1HD       ARG   6   2.440  -7.794  -8.468
   61    HD3  ARG   6          2HD       ARG   6   2.422  -6.519  -9.689
   62    HE   ARG   6           HE       ARG   6   4.923  -6.352  -9.121
   63   HH11  ARG   6          1HH1      ARG   6   3.124  -9.357  -8.995
   64   HH12  ARG   6          2HH1      ARG   6   4.491 -10.339  -9.419
   65   HH21  ARG   6          1HH2      ARG   6   6.743  -7.663  -9.682
   66   HH22  ARG   6          2HH2      ARG   6   6.525  -9.380  -9.834
   67    H    TYR   7           H        TYR   7   3.225  -4.166  -4.953
   68    HA   TYR   7           HA       TYR   7   4.210  -1.893  -6.537
   69    HB2  TYR   7          2HB       TYR   7   3.267  -1.135  -4.323
   70    HB3  TYR   7          1HB       TYR   7   4.444  -2.162  -3.518
   71    HD1  TYR   7          1HD       TYR   7   6.932  -1.640  -3.864
   72    HD2  TYR   7          2HD       TYR   7   3.830   1.063  -4.980
   73    HE1  TYR   7          1HE       TYR   7   8.548   0.209  -3.869
   74    HE2  TYR   7          2HE       TYR   7   5.446   2.918  -4.993
   75    HH   TYR   7           HH       TYR   7   7.649   3.454  -3.932
   76    H    ARG   8           H        ARG   8   6.278  -2.236  -7.222
   77    HA   ARG   8           HA       ARG   8   7.695  -4.514  -5.996
   78    HB2  ARG   8          1HB       ARG   8   8.832  -4.859  -8.147
   79    HB3  ARG   8          2HB       ARG   8   7.089  -5.008  -8.297
   80    HG2  ARG   8          1HG       ARG   8   6.936  -2.851  -9.359
   81    HG3  ARG   8          2HG       ARG   8   8.653  -2.546  -9.066
   82    HD2  ARG   8          1HD       ARG   8   9.285  -4.336 -10.548
   83    HD3  ARG   8          2HD       ARG   8   7.606  -4.842 -10.727
   84    HE   ARG   8           HE       ARG   8   7.530  -2.319 -11.645
   85   HH11  ARG   8          1HH1      ARG   8   9.727  -4.967 -12.344
   86   HH12  ARG   8          2HH1      ARG   8   9.959  -4.501 -14.001
   87   HH21  ARG   8          1HH2      ARG   8   7.838  -1.710 -13.829
   88   HH22  ARG   8          2HH2      ARG   8   8.868  -2.667 -14.852
   89    H    GLY   9           H        GLY   9   9.722  -4.241  -5.278
   90    HA2  GLY   9          1HA       GLY   9  11.828  -2.836  -5.711
   91    HA3  GLY   9          2HA       GLY   9  10.772  -1.481  -5.340
   92    H    SER  10           H        SER  10  11.332  -0.722  -3.392
   93    HA   SER  10           HA       SER  10  12.400  -2.488  -1.363
   94    HB2  SER  10          1HB       SER  10  11.881   0.495  -1.224
   95    HB3  SER  10          2HB       SER  10  12.899  -0.457  -0.141
   96    HG   SER  10           HG       SER  10  14.461  -0.348  -1.543
   97    H    GLU  11           H        GLU  11  11.356  -3.221   0.390
   98    HA   GLU  11           HA       GLU  11   8.536  -3.123   0.514
   99    HB2  GLU  11          1HB       GLU  11   8.771  -4.335   2.657
  100    HB3  GLU  11          2HB       GLU  11   9.724  -5.051   1.364
  101    HG2  GLU  11          1HG       GLU  11  11.736  -3.978   2.251
  102    HG3  GLU  11          2HG       GLU  11  10.780  -3.272   3.556
  103    H    GLU  12           H        GLU  12  11.044  -1.229   2.035
  104    HA   GLU  12           HA       GLU  12   9.619   0.084   3.982
  105    HB2  GLU  12          1HB       GLU  12  11.716   1.271   2.152
  106    HB3  GLU  12          2HB       GLU  12  11.302   1.770   3.764
  107    HG2  GLU  12          1HG       GLU  12  13.137   0.605   4.324
  108    HG3  GLU  12          2HG       GLU  12  12.009  -0.745   4.308
  109    H    GLU  13           H        GLU  13  10.054   0.833   0.545
  110    HA   GLU  13           HA       GLU  13   8.407   3.126   0.473
  111    HB2  GLU  13          1HB       GLU  13   9.132   1.204  -1.752
  112    HB3  GLU  13          2HB       GLU  13   8.406   2.790  -1.979
  113    HG2  GLU  13          1HG       GLU  13  11.132   2.187  -0.857
  114    HG3  GLU  13          2HG       GLU  13  10.764   2.906  -2.423
  115    H    CYS  14           H        CYS  14   7.805  -0.301  -0.137
  116    HA   CYS  14           HA       CYS  14   5.174  -0.131  -1.031
  117    HB2  CYS  14          2HB       CYS  14   6.423  -2.323   0.653
  118    HB3  CYS  14          1HB       CYS  14   4.956  -2.477  -0.313
  119    H    ARG  15           H        ARG  15   6.425  -0.304   2.285
  120    HA   ARG  15           HA       ARG  15   3.894  -0.377   3.566
  121    HB2  ARG  15          1HB       ARG  15   6.611   0.475   4.597
  122    HB3  ARG  15          2HB       ARG  15   5.189   0.285   5.615
  123    HG2  ARG  15          1HG       ARG  15   6.483  -1.901   3.984
  124    HG3  ARG  15          2HG       ARG  15   6.665  -1.666   5.725
  125    HD2  ARG  15          1HD       ARG  15   4.046  -2.190   4.314
  126    HD3  ARG  15          2HD       ARG  15   5.011  -3.420   5.125
  127    HE   ARG  15           HE       ARG  15   4.663  -2.070   7.199
  128   HH11  ARG  15          1HH1      ARG  15   2.360  -1.886   4.559
  129   HH12  ARG  15          2HH1      ARG  15   1.028  -1.474   5.593
  130   HH21  ARG  15          1HH2      ARG  15   2.935  -1.532   8.544
  131   HH22  ARG  15          2HH2      ARG  15   1.356  -1.262   7.866
  132    H    LYS  16           H        LYS  16   6.177   2.264   2.910
  133    HA   LYS  16           HA       LYS  16   4.815   4.398   4.031
  134    HB2  LYS  16          1HB       LYS  16   6.421   4.310   1.462
  135    HB3  LYS  16          2HB       LYS  16   5.940   5.789   2.280
  136    HG2  LYS  16          1HG       LYS  16   7.357   5.361   4.118
  137    HG3  LYS  16          2HG       LYS  16   7.604   3.681   3.635
  138    HD2  LYS  16          1HD       LYS  16   9.565   5.098   3.124
  139    HD3  LYS  16          2HD       LYS  16   8.855   4.391   1.673
  140    HE2  LYS  16          1HE       LYS  16   7.673   6.516   1.247
  141    HE3  LYS  16          2HE       LYS  16   8.456   7.216   2.664
  142    HZ1  LYS  16          1HZ       LYS  16   9.857   6.177   0.257
  143    HZ2  LYS  16          2HZ       LYS  16  10.595   6.879   1.603
  144    HZ3  LYS  16          3HZ       LYS  16   9.595   7.812   0.612
  145    H    TYR  17           H        TYR  17   4.549   3.124   0.739
  146    HA   TYR  17           HA       TYR  17   2.619   4.918  -0.203
  147    HB2  TYR  17          2HB       TYR  17   3.986   3.605  -1.721
  148    HB3  TYR  17          1HB       TYR  17   3.300   2.107  -1.104
  149    HD1  TYR  17          1HD       TYR  17   1.787   1.090  -2.509
  150    HD2  TYR  17          2HD       TYR  17   2.010   5.341  -2.512
  151    HE1  TYR  17          1HE       TYR  17   0.064   1.170  -4.258
  152    HE2  TYR  17          2HE       TYR  17   0.285   5.435  -4.260
  153    HH   TYR  17           HH       TYR  17  -0.560   3.911  -6.079
  154    H    ALA  18           H        ALA  18   2.233   1.601   1.065
  155    HA   ALA  18           HA       ALA  18  -0.519   1.362   0.805
  156    HB1  ALA  18          1HB       ALA  18  -0.393  -0.311   2.588
  157    HB2  ALA  18          2HB       ALA  18   1.212   0.271   3.029
  158    HB3  ALA  18          3HB       ALA  18   0.952  -0.484   1.462
  159    H    GLU  19           H        GLU  19   1.328   2.638   3.560
  160    HA   GLU  19           HA       GLU  19  -0.899   3.108   5.226
  161    HB2  GLU  19          1HB       GLU  19   1.479   2.915   5.982
  162    HB3  GLU  19          2HB       GLU  19   1.785   4.506   5.301
  163    HG2  GLU  19          1HG       GLU  19   1.454   4.635   7.702
  164    HG3  GLU  19          2HG       GLU  19   0.176   5.492   6.845
  165    H    GLU  20           H        GLU  20   0.975   5.338   3.146
  166    HA   GLU  20           HA       GLU  20  -0.453   7.649   3.870
  167    HB2  GLU  20          1HB       GLU  20   0.547   8.728   1.948
  168    HB3  GLU  20          2HB       GLU  20   1.735   7.714   2.743
  169    HG2  GLU  20          1HG       GLU  20   1.488   6.023   1.026
  170    HG3  GLU  20          2HG       GLU  20   0.232   6.979   0.244
  171    H    LEU  21           H        LEU  21  -0.828   5.497   1.085
  172    HA   LEU  21           HA       LEU  21  -3.033   6.792  -0.078
  173    HB2  LEU  21          1HB       LEU  21  -1.661   5.051  -1.196
  174    HB3  LEU  21          2HB       LEU  21  -2.364   3.842  -0.138
  175    HG   LEU  21           HG       LEU  21  -4.587   4.272  -1.118
  176   HD11  LEU  21          1HD1      LEU  21  -4.791   5.652  -3.136
  177   HD12  LEU  21          2HD1      LEU  21  -3.115   6.169  -2.946
  178   HD13  LEU  21          3HD1      LEU  21  -4.316   6.604  -1.729
  179   HD21  LEU  21          1HD2      LEU  21  -4.148   3.295  -3.334
  180   HD22  LEU  21          2HD2      LEU  21  -3.225   2.499  -2.061
  181   HD23  LEU  21          3HD2      LEU  21  -2.430   3.648  -3.138
  182    H    SER  22           H        SER  22  -2.809   4.352   2.447
  183    HA   SER  22           HA       SER  22  -5.502   3.665   2.689
  184    HB2  SER  22          1HB       SER  22  -3.639   2.465   3.809
  185    HB3  SER  22          2HB       SER  22  -3.414   3.840   4.889
  186    HG   SER  22           HG       SER  22  -5.168   1.797   5.055
  187    H    ARG  23           H        ARG  23  -3.659   6.086   4.588
  188    HA   ARG  23           HA       ARG  23  -6.023   7.074   5.822
  189    HB2  ARG  23          1HB       ARG  23  -4.597   8.796   6.831
  190    HB3  ARG  23          2HB       ARG  23  -4.001   7.161   7.082
  191    HG2  ARG  23          1HG       ARG  23  -2.102   8.322   6.549
  192    HG3  ARG  23          2HG       ARG  23  -2.567   7.616   5.006
  193    HD2  ARG  23          1HD       ARG  23  -3.719   9.805   4.489
  194    HD3  ARG  23          2HD       ARG  23  -2.899  10.466   5.914
  195    HE   ARG  23           HE       ARG  23  -0.987   9.187   4.537
  196   HH11  ARG  23          1HH1      ARG  23  -3.214  11.753   3.707
  197   HH12  ARG  23          2HH1      ARG  23  -2.145  12.487   2.558
  198   HH21  ARG  23          1HH2      ARG  23   0.468  10.210   3.066
  199   HH22  ARG  23          2HH2      ARG  23  -0.051  11.625   2.206
  200    H    ARG  24           H        ARG  24  -4.460   7.731   2.897
  201    HA   ARG  24           HA       ARG  24  -5.306  10.421   2.564
  202    HB2  ARG  24          1HB       ARG  24  -3.450   9.463   1.257
  203    HB3  ARG  24          2HB       ARG  24  -4.570   8.369   0.455
  204    HG2  ARG  24          1HG       ARG  24  -5.748  10.338  -0.488
  205    HG3  ARG  24          2HG       ARG  24  -4.525  11.380   0.246
  206    HD2  ARG  24          1HD       ARG  24  -2.784  10.236  -1.064
  207    HD3  ARG  24          2HD       ARG  24  -4.020   9.217  -1.803
  208    HE   ARG  24           HE       ARG  24  -4.330  12.100  -2.117
  209   HH11  ARG  24          1HH1      ARG  24  -3.250   9.076  -3.506
  210   HH12  ARG  24          2HH1      ARG  24  -3.297   9.663  -5.138
  211   HH21  ARG  24          1HH2      ARG  24  -4.414  12.871  -4.270
  212   HH22  ARG  24          2HH2      ARG  24  -3.960  11.812  -5.571
  213    H    THR  25           H        THR  25  -6.520   7.328   1.303
  214    HA   THR  25           HA       THR  25  -8.794   8.525   0.038
  215    HB   THR  25           HB       THR  25  -9.518   6.170  -0.356
  216    HG1  THR  25          1HG       THR  25  -7.059   5.314   0.758
  217   HG21  THR  25          1HG2      THR  25  -7.997   7.282  -1.947
  218   HG22  THR  25          2HG2      THR  25  -7.674   5.552  -1.842
  219   HG23  THR  25          3HG2      THR  25  -6.613   6.697  -1.024
  220    H    GLY  26           H        GLY  26  -8.239   6.721   3.025
  221    HA2  GLY  26          1HA       GLY  26  -9.567   6.972   4.984
  222    HA3  GLY  26          2HA       GLY  26 -10.905   7.520   3.980
  223    H    CYS  27           H        CYS  27 -10.062   5.207   2.131
  224    HA   CYS  27           HA       CYS  27 -11.813   3.206   3.283
  225    HB2  CYS  27          2HB       CYS  27 -10.388   3.455   0.626
  226    HB3  CYS  27          1HB       CYS  27 -11.289   2.014   1.077
  227    H    GLU  28           H        GLU  28 -10.691   0.852   2.331
  228    HA   GLU  28           HA       GLU  28  -8.162   0.688   3.832
  229    HB2  GLU  28          1HB       GLU  28 -10.012  -0.635   4.814
  230    HB3  GLU  28          2HB       GLU  28 -10.168  -1.521   3.303
  231    HG2  GLU  28          1HG       GLU  28  -8.915  -2.742   5.064
  232    HG3  GLU  28          2HG       GLU  28  -7.998  -2.503   3.574
  233    H    VAL  29           H        VAL  29  -6.415   0.147   2.751
  234    HA   VAL  29           HA       VAL  29  -6.546  -1.375   0.298
  235    HB   VAL  29           HB       VAL  29  -6.901   0.857  -0.583
  236   HG11  VAL  29          1HG1      VAL  29  -5.307   2.677  -0.268
  237   HG12  VAL  29          2HG1      VAL  29  -4.357   1.673   0.829
  238   HG13  VAL  29          3HG1      VAL  29  -5.994   2.163   1.273
  239   HG21  VAL  29          1HG2      VAL  29  -5.495  -0.650  -1.899
  240   HG22  VAL  29          2HG2      VAL  29  -4.056  -0.048  -1.077
  241   HG23  VAL  29          3HG2      VAL  29  -4.994   1.026  -2.115
  242    H    GLU  30           H        GLU  30  -4.924  -2.745   0.309
  243    HA   GLU  30           HA       GLU  30  -2.445  -2.010   1.720
  244    HB2  GLU  30          1HB       GLU  30  -4.240  -3.919   2.605
  245    HB3  GLU  30          2HB       GLU  30  -3.106  -4.890   1.682
  246    HG2  GLU  30          1HG       GLU  30  -2.311  -2.992   3.887
  247    HG3  GLU  30          2HG       GLU  30  -2.606  -4.712   4.117
  248    H    VAL  31           H        VAL  31  -0.537  -2.893   0.798
  249    HA   VAL  31           HA       VAL  31  -0.892  -3.626  -2.025
  250    HB   VAL  31           HB       VAL  31   1.104  -2.436  -2.575
  251   HG11  VAL  31          1HG1      VAL  31  -0.510  -0.717  -0.685
  252   HG12  VAL  31          2HG1      VAL  31  -0.916  -1.059  -2.365
  253   HG13  VAL  31          3HG1      VAL  31   0.535  -0.138  -1.981
  254   HG21  VAL  31          1HG2      VAL  31   2.477  -2.998  -0.652
  255   HG22  VAL  31          2HG2      VAL  31   1.496  -1.966   0.385
  256   HG23  VAL  31          3HG2      VAL  31   2.473  -1.253  -0.899
  257    H    GLU  32           H        GLU  32   0.913  -4.858  -2.903
  258    HA   GLU  32           HA       GLU  32   2.155  -6.627  -0.906
  259    HB2  GLU  32          1HB       GLU  32   0.552  -7.732  -2.495
  260    HB3  GLU  32          2HB       GLU  32   1.593  -7.239  -3.826
  261    HG2  GLU  32          1HG       GLU  32   1.918  -9.589  -3.125
  262    HG3  GLU  32          2HG       GLU  32   3.383  -8.613  -3.023
  263    H    CYS  33           H        CYS  33   4.380  -7.041  -1.132
  264    HA   CYS  33           HA       CYS  33   5.749  -5.008  -2.779
  265    HB2  CYS  33          2HB       CYS  33   5.769  -4.839  -0.188
  266    HB3  CYS  33          1HB       CYS  33   6.901  -6.186  -0.257
  267    H    GLU  34           H        GLU  34   6.772  -5.878  -4.416
  268    HA   GLU  34           HA       GLU  34   7.930  -8.572  -4.215
  269    HB2  GLU  34          1HB       GLU  34   6.091  -7.716  -6.467
  270    HB3  GLU  34          2HB       GLU  34   6.795  -9.311  -6.217
  271    HG2  GLU  34          1HG       GLU  34   5.463  -9.638  -4.237
  272    HG3  GLU  34          2HG       GLU  34   4.848  -7.990  -4.342
  273    H    THR  35           H        THR  35   8.983  -9.049  -6.496
  274    HA   THR  35           HA       THR  35  10.165  -6.572  -7.551
  275    HB   THR  35           HB       THR  35  11.917  -7.741  -6.407
  276    HG1  THR  35          1HG       THR  35  12.889  -6.996  -8.148
  277   HG21  THR  35          1HG2      THR  35  12.595 -10.034  -6.920
  278   HG22  THR  35          2HG2      THR  35  11.236 -10.200  -8.032
  279   HG23  THR  35          3HG2      THR  35  10.943  -9.987  -6.305
  Start of MODEL   18
    1    H1   CYS   1          1H        CYS   1 -14.873  -1.077   2.686
    2    H2   CYS   1          2H        CYS   1 -15.672   0.372   2.339
    3    H3   CYS   1          3H        CYS   1 -14.321   0.370   3.355
    4    HA   CYS   1           HA       CYS   1 -14.327  -0.307   0.481
    5    HB2  CYS   1          2HB       CYS   1 -14.645   2.059   0.826
    6    HB3  CYS   1          1HB       CYS   1 -13.338   2.110   1.996
    7    H    LYS   2           H        LYS   2 -13.012  -1.991   0.344
    8    HA   LYS   2           HA       LYS   2 -10.312  -1.760   1.506
    9    HB2  LYS   2          1HB       LYS   2 -12.008  -4.256   1.245
   10    HB3  LYS   2          2HB       LYS   2 -10.276  -4.299   1.546
   11    HG2  LYS   2          1HG       LYS   2 -10.682  -2.955   3.617
   12    HG3  LYS   2          2HG       LYS   2 -12.413  -3.157   3.334
   13    HD2  LYS   2          1HD       LYS   2 -12.160  -5.590   3.456
   14    HD3  LYS   2          2HD       LYS   2 -10.423  -5.405   3.702
   15    HE2  LYS   2          1HE       LYS   2 -10.873  -4.178   5.795
   16    HE3  LYS   2          2HE       LYS   2 -12.603  -4.427   5.553
   17    HZ1  LYS   2          1HZ       LYS   2 -10.563  -6.554   5.952
   18    HZ2  LYS   2          2HZ       LYS   2 -12.202  -6.834   5.642
   19    HZ3  LYS   2          3HZ       LYS   2 -11.730  -6.064   7.073
   20    H    GLN   3           H        GLN   3  -8.747  -1.764   0.042
   21    HA   GLN   3           HA       GLN   3  -9.416  -2.579  -2.724
   22    HB2  GLN   3          1HB       GLN   3  -7.521  -0.412  -1.771
   23    HB3  GLN   3          2HB       GLN   3  -7.778  -0.863  -3.450
   24    HG2  GLN   3          1HG       GLN   3  -9.908   0.235  -1.619
   25    HG3  GLN   3          2HG       GLN   3  -8.980   1.190  -2.776
   26   HE21  GLN   3          1HE2      GLN   3 -12.316   0.025  -4.133
   27   HE22  GLN   3          2HE2      GLN   3 -11.868   0.697  -2.608
   28    H    ARG   4           H        ARG   4  -7.514  -3.274  -4.019
   29    HA   ARG   4           HA       ARG   4  -5.263  -4.295  -2.439
   30    HB2  ARG   4          1HB       ARG   4  -5.387  -6.487  -3.319
   31    HB3  ARG   4          2HB       ARG   4  -7.034  -6.108  -2.840
   32    HG2  ARG   4          1HG       ARG   4  -7.425  -5.455  -5.274
   33    HG3  ARG   4          2HG       ARG   4  -5.877  -6.229  -5.613
   34    HD2  ARG   4          1HD       ARG   4  -7.472  -7.898  -6.022
   35    HD3  ARG   4          2HD       ARG   4  -6.841  -8.282  -4.418
   36    HE   ARG   4           HE       ARG   4  -8.884  -7.076  -3.558
   37   HH11  ARG   4          1HH1      ARG   4  -8.838  -8.772  -6.622
   38   HH12  ARG   4          2HH1      ARG   4 -10.564  -8.915  -6.718
   39   HH21  ARG   4          1HH2      ARG   4 -11.156  -7.266  -3.670
   40   HH22  ARG   4          2HH2      ARG   4 -11.892  -8.043  -5.038
   41    H    ARG   5           H        ARG   5  -3.319  -4.058  -3.466
   42    HA   ARG   5           HA       ARG   5  -3.243  -3.413  -6.306
   43    HB2  ARG   5          1HB       ARG   5  -2.584  -1.428  -4.141
   44    HB3  ARG   5          2HB       ARG   5  -1.864  -1.313  -5.745
   45    HG2  ARG   5          1HG       ARG   5  -3.975  -1.005  -6.779
   46    HG3  ARG   5          2HG       ARG   5  -4.840  -1.445  -5.306
   47    HD2  ARG   5          1HD       ARG   5  -4.931   0.938  -5.638
   48    HD3  ARG   5          2HD       ARG   5  -3.962   0.560  -4.218
   49    HE   ARG   5           HE       ARG   5  -2.044   1.291  -5.335
   50   HH11  ARG   5          1HH1      ARG   5  -4.824   1.394  -7.477
   51   HH12  ARG   5          2HH1      ARG   5  -4.093   2.539  -8.560
   52   HH21  ARG   5          1HH2      ARG   5  -1.110   2.813  -6.745
   53   HH22  ARG   5          2HH2      ARG   5  -1.987   3.342  -8.151
   54    H    ARG   6           H        ARG   6  -0.796  -2.740  -6.822
   55    HA   ARG   6           HA       ARG   6   0.955  -4.579  -5.346
   56    HB2  ARG   6          1HB       ARG   6   1.849  -5.528  -7.377
   57    HB3  ARG   6          2HB       ARG   6   0.106  -5.741  -7.371
   58    HG2  ARG   6          1HG       ARG   6   1.513  -3.539  -8.880
   59    HG3  ARG   6          2HG       ARG   6   1.111  -5.108  -9.578
   60    HD2  ARG   6          1HD       ARG   6  -0.821  -3.044  -8.510
   61    HD3  ARG   6          2HD       ARG   6  -0.575  -3.492 -10.198
   62    HE   ARG   6           HE       ARG   6  -2.194  -4.842  -8.266
   63   HH11  ARG   6          1HH1      ARG   6  -0.310  -5.303 -11.188
   64   HH12  ARG   6          2HH1      ARG   6  -1.152  -6.747 -11.650
   65   HH21  ARG   6          1HH2      ARG   6  -3.300  -6.731  -8.888
   66   HH22  ARG   6          2HH2      ARG   6  -2.834  -7.570 -10.333
   67    H    TYR   7           H        TYR   7   3.179  -4.150  -5.512
   68    HA   TYR   7           HA       TYR   7   4.099  -1.729  -6.817
   69    HB2  TYR   7          2HB       TYR   7   3.081  -1.116  -4.508
   70    HB3  TYR   7          1HB       TYR   7   4.453  -1.966  -3.816
   71    HD1  TYR   7          1HD       TYR   7   6.460  -0.792  -3.422
   72    HD2  TYR   7          2HD       TYR   7   3.611   0.821  -6.149
   73    HE1  TYR   7          1HE       TYR   7   7.779   1.279  -3.565
   74    HE2  TYR   7          2HE       TYR   7   4.929   2.892  -6.305
   75    HH   TYR   7           HH       TYR   7   6.582   4.137  -4.886
   76    H    ARG   8           H        ARG   8   6.559  -1.501  -6.282
   77    HA   ARG   8           HA       ARG   8   7.766  -4.068  -5.574
   78    HB2  ARG   8          1HB       ARG   8   9.212  -4.099  -7.518
   79    HB3  ARG   8          2HB       ARG   8   7.535  -4.089  -8.033
   80    HG2  ARG   8          1HG       ARG   8   7.724  -1.672  -8.507
   81    HG3  ARG   8          2HG       ARG   8   9.430  -1.741  -8.057
   82    HD2  ARG   8          1HD       ARG   8   9.722  -3.499  -9.846
   83    HD3  ARG   8          2HD       ARG   8   8.071  -3.145 -10.359
   84    HE   ARG   8           HE       ARG   8   9.719  -0.802 -10.221
   85   HH11  ARG   8          1HH1      ARG   8   8.830  -3.515 -12.259
   86   HH12  ARG   8          2HH1      ARG   8   9.302  -2.723 -13.728
   87   HH21  ARG   8          1HH2      ARG   8  10.354   0.229 -12.133
   88   HH22  ARG   8          2HH2      ARG   8  10.165  -0.580 -13.660
   89    H    GLY   9           H        GLY   9   9.646  -3.895  -4.462
   90    HA2  GLY   9          1HA       GLY   9  11.674  -2.214  -4.418
   91    HA3  GLY   9          2HA       GLY   9  10.440  -1.164  -3.734
   92    H    SER  10           H        SER  10  11.535  -0.993  -1.755
   93    HA   SER  10           HA       SER  10  12.010  -3.463  -0.241
   94    HB2  SER  10          1HB       SER  10  13.910  -1.875  -0.565
   95    HB3  SER  10          2HB       SER  10  12.997  -0.650   0.317
   96    HG   SER  10           HG       SER  10  14.417  -2.803   1.251
   97    H    GLU  11           H        GLU  11  11.908  -2.868   2.260
   98    HA   GLU  11           HA       GLU  11   9.220  -2.996   2.937
   99    HB2  GLU  11          1HB       GLU  11   9.992  -2.690   5.294
  100    HB3  GLU  11          2HB       GLU  11  10.885  -3.915   4.407
  101    HG2  GLU  11          1HG       GLU  11  12.727  -2.354   4.071
  102    HG3  GLU  11          2HG       GLU  11  11.830  -1.096   4.917
  103    H    GLU  12           H        GLU  12  11.425  -0.219   3.082
  104    HA   GLU  12           HA       GLU  12   9.748   1.576   4.408
  105    HB2  GLU  12          1HB       GLU  12  12.124   2.071   3.935
  106    HB3  GLU  12          2HB       GLU  12  11.757   2.194   2.218
  107    HG2  GLU  12          1HG       GLU  12  10.040   4.008   3.009
  108    HG3  GLU  12          2HG       GLU  12  11.059   4.061   4.444
  109    H    GLU  13           H        GLU  13  10.124   0.905   0.967
  110    HA   GLU  13           HA       GLU  13   8.346   2.906   0.059
  111    HB2  GLU  13          1HB       GLU  13   9.244   0.370  -1.339
  112    HB3  GLU  13          2HB       GLU  13   8.527   1.783  -2.113
  113    HG2  GLU  13          1HG       GLU  13  10.440   3.140  -1.464
  114    HG3  GLU  13          2HG       GLU  13  11.142   1.772  -0.607
  115    H    CYS  14           H        CYS  14   7.965  -0.556   0.702
  116    HA   CYS  14           HA       CYS  14   5.315  -0.851  -0.151
  117    HB2  CYS  14          2HB       CYS  14   6.862  -2.283   2.015
  118    HB3  CYS  14          1HB       CYS  14   5.265  -2.783   1.474
  119    H    ARG  15           H        ARG  15   6.562  -0.138   3.115
  120    HA   ARG  15           HA       ARG  15   4.076   0.094   4.393
  121    HB2  ARG  15          1HB       ARG  15   6.786   1.285   4.999
  122    HB3  ARG  15          2HB       ARG  15   5.403   1.513   6.060
  123    HG2  ARG  15          1HG       ARG  15   6.461  -1.199   5.275
  124    HG3  ARG  15          2HG       ARG  15   6.981  -0.322   6.717
  125    HD2  ARG  15          1HD       ARG  15   4.150  -1.166   6.081
  126    HD3  ARG  15          2HD       ARG  15   5.222  -1.947   7.243
  127    HE   ARG  15           HE       ARG  15   3.944   0.684   7.529
  128   HH11  ARG  15          1HH1      ARG  15   5.931  -1.859   8.897
  129   HH12  ARG  15          2HH1      ARG  15   5.799  -1.257  10.516
  130   HH21  ARG  15          1HH2      ARG  15   3.800   1.491   9.636
  131   HH22  ARG  15          2HH2      ARG  15   4.620   0.674  10.936
  132    H    LYS  16           H        LYS  16   6.249   2.687   3.308
  133    HA   LYS  16           HA       LYS  16   4.756   4.889   3.758
  134    HB2  LYS  16          1HB       LYS  16   7.142   4.528   2.826
  135    HB3  LYS  16          2HB       LYS  16   6.375   4.507   1.245
  136    HG2  LYS  16          1HG       LYS  16   5.614   6.738   1.516
  137    HG3  LYS  16          2HG       LYS  16   6.111   6.747   3.206
  138    HD2  LYS  16          1HD       LYS  16   7.687   7.958   1.681
  139    HD3  LYS  16          2HD       LYS  16   8.431   6.652   2.607
  140    HE2  LYS  16          1HE       LYS  16   8.221   5.172   0.634
  141    HE3  LYS  16          2HE       LYS  16   7.546   6.519  -0.282
  142    HZ1  LYS  16          1HZ       LYS  16   9.622   7.726   0.051
  143    HZ2  LYS  16          2HZ       LYS  16   9.890   6.253  -0.734
  144    HZ3  LYS  16          3HZ       LYS  16  10.268   6.410   0.903
  145    H    TYR  17           H        TYR  17   4.776   2.971   0.760
  146    HA   TYR  17           HA       TYR  17   2.894   4.433  -0.677
  147    HB2  TYR  17          2HB       TYR  17   4.381   2.737  -1.661
  148    HB3  TYR  17          1HB       TYR  17   3.518   1.467  -0.807
  149    HD1  TYR  17          1HD       TYR  17   1.521   0.530  -1.711
  150    HD2  TYR  17          2HD       TYR  17   3.221   4.009  -3.494
  151    HE1  TYR  17          1HE       TYR  17   0.037   0.256  -3.652
  152    HE2  TYR  17          2HE       TYR  17   1.736   3.743  -5.436
  153    HH   TYR  17           HH       TYR  17   0.515   1.796  -6.556
  154    H    ALA  18           H        ALA  18   2.411   1.490   1.279
  155    HA   ALA  18           HA       ALA  18  -0.355   1.256   0.823
  156    HB1  ALA  18          1HB       ALA  18  -0.342  -0.324   2.680
  157    HB2  ALA  18          2HB       ALA  18   1.255   0.244   3.168
  158    HB3  ALA  18          3HB       ALA  18   1.046  -0.582   1.624
  159    H    GLU  19           H        GLU  19   1.420   2.720   3.536
  160    HA   GLU  19           HA       GLU  19  -0.854   3.295   5.097
  161    HB2  GLU  19          1HB       GLU  19   1.878   4.603   5.104
  162    HB3  GLU  19          2HB       GLU  19   0.652   4.835   6.345
  163    HG2  GLU  19          1HG       GLU  19   0.737   2.436   6.868
  164    HG3  GLU  19          2HG       GLU  19   1.983   2.218   5.642
  165    H    GLU  20           H        GLU  20   1.061   5.364   2.899
  166    HA   GLU  20           HA       GLU  20  -0.515   7.670   3.158
  167    HB2  GLU  20          1HB       GLU  20   1.158   6.688   0.837
  168    HB3  GLU  20          2HB       GLU  20   0.389   8.269   0.877
  169    HG2  GLU  20          1HG       GLU  20   1.679   8.796   2.930
  170    HG3  GLU  20          2HG       GLU  20   2.511   7.250   2.762
  171    H    LEU  21           H        LEU  21  -0.796   4.890   1.019
  172    HA   LEU  21           HA       LEU  21  -2.818   5.804  -0.674
  173    HB2  LEU  21          1HB       LEU  21  -1.345   3.645  -0.705
  174    HB3  LEU  21          2HB       LEU  21  -2.632   2.942   0.249
  175    HG   LEU  21           HG       LEU  21  -2.983   4.098  -2.529
  176   HD11  LEU  21          1HD1      LEU  21  -3.125   1.770  -3.270
  177   HD12  LEU  21          2HD1      LEU  21  -2.743   1.219  -1.640
  178   HD13  LEU  21          3HD1      LEU  21  -1.548   2.129  -2.565
  179   HD21  LEU  21          1HD2      LEU  21  -4.868   2.448  -0.831
  180   HD22  LEU  21          2HD2      LEU  21  -5.149   2.949  -2.498
  181   HD23  LEU  21          3HD2      LEU  21  -5.051   4.160  -1.221
  182    H    SER  22           H        SER  22  -3.076   3.937   2.348
  183    HA   SER  22           HA       SER  22  -5.842   3.762   2.470
  184    HB2  SER  22          1HB       SER  22  -3.852   3.873   4.751
  185    HB3  SER  22          2HB       SER  22  -5.452   3.162   4.786
  186    HG   SER  22           HG       SER  22  -3.122   2.217   3.578
  187    H    ARG  23           H        ARG  23  -3.650   6.042   4.137
  188    HA   ARG  23           HA       ARG  23  -5.727   7.455   5.442
  189    HB2  ARG  23          1HB       ARG  23  -3.991   9.061   6.087
  190    HB3  ARG  23          2HB       ARG  23  -3.441   7.406   6.313
  191    HG2  ARG  23          1HG       ARG  23  -2.307   7.629   4.047
  192    HG3  ARG  23          2HG       ARG  23  -2.636   9.356   4.170
  193    HD2  ARG  23          1HD       ARG  23  -1.113   7.769   6.237
  194    HD3  ARG  23          2HD       ARG  23  -0.351   8.667   4.925
  195    HE   ARG  23           HE       ARG  23  -2.067  10.381   6.363
  196   HH11  ARG  23          1HH1      ARG  23   0.975   8.676   6.736
  197   HH12  ARG  23          2HH1      ARG  23   1.652   9.857   7.813
  198   HH21  ARG  23          1HH2      ARG  23  -1.188  11.920   7.795
  199   HH22  ARG  23          2HH2      ARG  23   0.421  11.707   8.408
  200    H    ARG  24           H        ARG  24  -4.303   7.803   2.271
  201    HA   ARG  24           HA       ARG  24  -5.335  10.473   1.847
  202    HB2  ARG  24          1HB       ARG  24  -3.386   9.924   0.587
  203    HB3  ARG  24          2HB       ARG  24  -4.094   8.421   0.007
  204    HG2  ARG  24          1HG       ARG  24  -5.775   9.759  -1.251
  205    HG3  ARG  24          2HG       ARG  24  -4.923  11.219  -0.756
  206    HD2  ARG  24          1HD       ARG  24  -2.985  10.603  -1.999
  207    HD3  ARG  24          2HD       ARG  24  -3.602   8.971  -2.269
  208    HE   ARG  24           HE       ARG  24  -5.103   9.802  -3.861
  209   HH11  ARG  24          1HH1      ARG  24  -3.041  12.337  -2.568
  210   HH12  ARG  24          2HH1      ARG  24  -3.514  13.489  -3.776
  211   HH21  ARG  24          1HH2      ARG  24  -5.731  11.326  -5.417
  212   HH22  ARG  24          2HH2      ARG  24  -5.027  12.913  -5.402
  213    H    THR  25           H        THR  25  -6.093   7.275   0.477
  214    HA   THR  25           HA       THR  25  -8.305   8.174  -1.033
  215    HB   THR  25           HB       THR  25  -7.759   5.339  -0.117
  216    HG1  THR  25          1HG       THR  25  -5.937   5.752  -1.169
  217   HG21  THR  25          1HG2      THR  25  -9.186   6.420  -2.564
  218   HG22  THR  25          2HG2      THR  25  -9.951   5.632  -1.182
  219   HG23  THR  25          3HG2      THR  25  -8.866   4.717  -2.230
  220    H    GLY  26           H        GLY  26  -7.969   7.346   2.293
  221    HA2  GLY  26          1HA       GLY  26  -9.510   7.349   4.013
  222    HA3  GLY  26          2HA       GLY  26 -10.730   7.887   2.863
  223    H    CYS  27           H        CYS  27  -8.683   5.019   3.030
  224    HA   CYS  27           HA       CYS  27 -10.970   3.252   3.319
  225    HB2  CYS  27          2HB       CYS  27  -9.244   3.315   0.831
  226    HB3  CYS  27          1HB       CYS  27 -10.223   1.926   1.282
  227    H    GLU  28           H        GLU  28 -10.032   0.886   2.971
  228    HA   GLU  28           HA       GLU  28  -7.381   0.699   4.245
  229    HB2  GLU  28          1HB       GLU  28  -9.216  -0.275   5.586
  230    HB3  GLU  28          2HB       GLU  28  -9.685  -1.283   4.224
  231    HG2  GLU  28          1HG       GLU  28  -8.418  -2.531   5.898
  232    HG3  GLU  28          2HG       GLU  28  -7.585  -2.478   4.344
  233    H    VAL  29           H        VAL  29  -5.841  -0.632   3.220
  234    HA   VAL  29           HA       VAL  29  -6.620  -1.832   0.662
  235    HB   VAL  29           HB       VAL  29  -5.961   0.479   0.118
  236   HG11  VAL  29          1HG1      VAL  29  -4.437   0.912   1.969
  237   HG12  VAL  29          2HG1      VAL  29  -3.642   1.228   0.427
  238   HG13  VAL  29          3HG1      VAL  29  -3.288  -0.253   1.317
  239   HG21  VAL  29          1HG2      VAL  29  -4.288  -0.046  -1.604
  240   HG22  VAL  29          2HG2      VAL  29  -5.541  -1.283  -1.520
  241   HG23  VAL  29          3HG2      VAL  29  -3.955  -1.586  -0.811
  242    H    GLU  30           H        GLU  30  -5.435  -3.548   0.068
  243    HA   GLU  30           HA       GLU  30  -3.082  -4.248   1.691
  244    HB2  GLU  30          1HB       GLU  30  -5.405  -5.795   0.921
  245    HB3  GLU  30          2HB       GLU  30  -3.951  -6.543   0.273
  246    HG2  GLU  30          1HG       GLU  30  -2.966  -6.609   2.491
  247    HG3  GLU  30          2HG       GLU  30  -4.378  -5.799   3.160
  248    H    VAL  31           H        VAL  31  -1.236  -4.147   0.670
  249    HA   VAL  31           HA       VAL  31  -1.235  -4.157  -2.273
  250    HB   VAL  31           HB       VAL  31  -0.740  -1.923  -1.292
  251   HG11  VAL  31          1HG1      VAL  31   1.369  -1.535  -0.123
  252   HG12  VAL  31          2HG1      VAL  31   1.701  -3.268  -0.131
  253   HG13  VAL  31          3HG1      VAL  31   0.328  -2.637   0.781
  254   HG21  VAL  31          1HG2      VAL  31   0.158  -2.517  -3.480
  255   HG22  VAL  31          2HG2      VAL  31   1.599  -3.200  -2.718
  256   HG23  VAL  31          3HG2      VAL  31   1.273  -1.467  -2.602
  257    H    GLU  32           H        GLU  32   0.393  -5.271  -3.288
  258    HA   GLU  32           HA       GLU  32   1.940  -7.108  -1.579
  259    HB2  GLU  32          1HB       GLU  32   0.986  -7.474  -4.434
  260    HB3  GLU  32          2HB       GLU  32   1.896  -8.652  -3.500
  261    HG2  GLU  32          1HG       GLU  32  -0.875  -7.659  -2.837
  262    HG3  GLU  32          2HG       GLU  32  -0.496  -9.189  -3.624
  263    H    CYS  33           H        CYS  33   4.120  -7.420  -2.057
  264    HA   CYS  33           HA       CYS  33   5.285  -5.252  -3.680
  265    HB2  CYS  33          2HB       CYS  33   6.356  -6.564  -1.170
  266    HB3  CYS  33          1HB       CYS  33   7.200  -5.330  -2.105
  267    H    GLU  34           H        GLU  34   6.719  -5.706  -5.181
  268    HA   GLU  34           HA       GLU  34   7.832  -8.431  -5.342
  269    HB2  GLU  34          1HB       GLU  34   7.072  -6.548  -7.595
  270    HB3  GLU  34          2HB       GLU  34   7.889  -8.094  -7.812
  271    HG2  GLU  34          1HG       GLU  34   5.988  -9.288  -6.987
  272    HG3  GLU  34          2HG       GLU  34   5.184  -7.794  -6.518
  273    H    THR  35           H        THR  35   9.860  -8.350  -6.856
  274    HA   THR  35           HA       THR  35  11.484  -5.978  -6.448
  275    HB   THR  35           HB       THR  35  12.359  -8.663  -5.329
  276    HG1  THR  35          1HG       THR  35  11.158  -6.397  -4.156
  277   HG21  THR  35          1HG2      THR  35  14.230  -7.305  -6.133
  278   HG22  THR  35          2HG2      THR  35  14.230  -7.370  -4.369
  279   HG23  THR  35          3HG2      THR  35  13.648  -5.927  -5.199
  Start of MODEL   19
    1    H1   CYS   1          1H        CYS   1 -15.053  -0.881   0.923
    2    H2   CYS   1          2H        CYS   1 -14.639  -1.340  -0.648
    3    H3   CYS   1          3H        CYS   1 -15.643  -0.010  -0.399
    4    HA   CYS   1           HA       CYS   1 -13.389   0.632  -0.990
    5    HB2  CYS   1          2HB       CYS   1 -15.022   1.699   0.983
    6    HB3  CYS   1          1HB       CYS   1 -13.454   1.594   1.781
    7    H    LYS   2           H        LYS   2 -13.048  -2.087  -0.241
    8    HA   LYS   2           HA       LYS   2 -10.500  -1.854   1.214
    9    HB2  LYS   2          1HB       LYS   2 -12.404  -3.282   2.278
   10    HB3  LYS   2          2HB       LYS   2 -12.048  -4.446   1.011
   11    HG2  LYS   2          1HG       LYS   2  -9.976  -3.408   2.942
   12    HG3  LYS   2          2HG       LYS   2 -10.937  -4.853   3.235
   13    HD2  LYS   2          1HD       LYS   2  -9.166  -4.477   0.812
   14    HD3  LYS   2          2HD       LYS   2  -8.647  -5.278   2.296
   15    HE2  LYS   2          1HE       LYS   2 -10.966  -6.133   0.560
   16    HE3  LYS   2          2HE       LYS   2  -9.369  -6.881   0.577
   17    HZ1  LYS   2          1HZ       LYS   2 -11.236  -6.750   2.883
   18    HZ2  LYS   2          2HZ       LYS   2  -9.709  -7.473   2.897
   19    HZ3  LYS   2          3HZ       LYS   2 -10.939  -8.115   1.931
   20    H    GLN   3           H        GLN   3  -8.887  -1.947  -0.197
   21    HA   GLN   3           HA       GLN   3  -9.224  -3.574  -2.641
   22    HB2  GLN   3          1HB       GLN   3  -9.668  -1.143  -3.051
   23    HB3  GLN   3          2HB       GLN   3  -8.027  -0.793  -2.530
   24    HG2  GLN   3          1HG       GLN   3  -7.191  -2.206  -4.392
   25    HG3  GLN   3          2HG       GLN   3  -8.856  -2.404  -4.938
   26   HE21  GLN   3          1HE2      GLN   3  -6.809   1.022  -5.645
   27   HE22  GLN   3          2HE2      GLN   3  -6.189  -0.218  -4.617
   28    H    ARG   4           H        ARG   4  -7.160  -4.129  -3.693
   29    HA   ARG   4           HA       ARG   4  -4.793  -3.843  -1.983
   30    HB2  ARG   4          1HB       ARG   4  -5.615  -6.056  -1.481
   31    HB3  ARG   4          2HB       ARG   4  -5.791  -6.431  -3.191
   32    HG2  ARG   4          1HG       ARG   4  -3.439  -6.524  -3.508
   33    HG3  ARG   4          2HG       ARG   4  -3.127  -5.815  -1.922
   34    HD2  ARG   4          1HD       ARG   4  -2.726  -8.261  -2.001
   35    HD3  ARG   4          2HD       ARG   4  -3.950  -7.794  -0.819
   36    HE   ARG   4           HE       ARG   4  -4.735  -8.769  -3.486
   37   HH11  ARG   4          1HH1      ARG   4  -4.772  -9.081   0.008
   38   HH12  ARG   4          2HH1      ARG   4  -5.980 -10.328   0.006
   39   HH21  ARG   4          1HH2      ARG   4  -6.322 -10.423  -3.482
   40   HH22  ARG   4          2HH2      ARG   4  -6.870 -11.078  -1.971
   41    H    ARG   5           H        ARG   5  -2.845  -3.713  -3.060
   42    HA   ARG   5           HA       ARG   5  -2.868  -3.789  -5.997
   43    HB2  ARG   5          1HB       ARG   5  -1.991  -1.490  -4.268
   44    HB3  ARG   5          2HB       ARG   5  -1.402  -1.700  -5.916
   45    HG2  ARG   5          1HG       ARG   5  -3.705  -1.638  -6.745
   46    HG3  ARG   5          2HG       ARG   5  -4.286  -1.403  -5.095
   47    HD2  ARG   5          1HD       ARG   5  -4.167   0.693  -6.343
   48    HD3  ARG   5          2HD       ARG   5  -3.102   0.684  -4.943
   49    HE   ARG   5           HE       ARG   5  -1.346   1.016  -6.347
   50   HH11  ARG   5          1HH1      ARG   5  -3.966  -0.374  -8.215
   51   HH12  ARG   5          2HH1      ARG   5  -3.115  -0.271  -9.723
   52   HH21  ARG   5          1HH2      ARG   5  -0.239   1.191  -8.336
   53   HH22  ARG   5          2HH2      ARG   5  -0.988   0.617  -9.792
   54    H    ARG   6           H        ARG   6  -0.500  -3.530  -6.804
   55    HA   ARG   6           HA       ARG   6   1.403  -4.717  -4.898
   56    HB2  ARG   6          1HB       ARG   6   1.020  -5.509  -7.799
   57    HB3  ARG   6          2HB       ARG   6   2.407  -5.982  -6.824
   58    HG2  ARG   6          1HG       ARG   6   0.779  -7.050  -5.224
   59    HG3  ARG   6          2HG       ARG   6  -0.472  -6.766  -6.435
   60    HD2  ARG   6          1HD       ARG   6   0.740  -8.131  -8.046
   61    HD3  ARG   6          2HD       ARG   6   2.059  -8.353  -6.894
   62    HE   ARG   6           HE       ARG   6  -0.632  -9.520  -6.707
   63   HH11  ARG   6          1HH1      ARG   6   2.691  -9.359  -5.570
   64   HH12  ARG   6          2HH1      ARG   6   2.530 -10.750  -4.546
   65   HH21  ARG   6          1HH2      ARG   6  -0.817 -11.372  -5.407
   66   HH22  ARG   6          2HH2      ARG   6   0.540 -11.905  -4.463
   67    H    TYR   7           H        TYR   7   3.191  -3.596  -4.692
   68    HA   TYR   7           HA       TYR   7   3.873  -1.574  -6.735
   69    HB2  TYR   7          2HB       TYR   7   3.146  -0.706  -4.475
   70    HB3  TYR   7          1HB       TYR   7   4.531  -1.533  -3.771
   71    HD1  TYR   7          1HD       TYR   7   6.640  -0.463  -3.691
   72    HD2  TYR   7          2HD       TYR   7   3.595   1.092  -6.238
   73    HE1  TYR   7          1HE       TYR   7   8.031   1.520  -4.136
   74    HE2  TYR   7          2HE       TYR   7   4.981   3.076  -6.685
   75    HH   TYR   7           HH       TYR   7   8.293   3.263  -5.772
   76    H    ARG   8           H        ARG   8   6.240  -1.196  -6.969
   77    HA   ARG   8           HA       ARG   8   7.723  -3.701  -6.471
   78    HB2  ARG   8          1HB       ARG   8   9.021  -3.253  -8.490
   79    HB3  ARG   8          2HB       ARG   8   7.306  -3.313  -8.864
   80    HG2  ARG   8          1HG       ARG   8   7.202  -0.915  -9.052
   81    HG3  ARG   8          2HG       ARG   8   8.864  -0.759  -8.478
   82    HD2  ARG   8          1HD       ARG   8   9.632  -2.024 -10.468
   83    HD3  ARG   8          2HD       ARG   8   7.968  -2.068 -11.050
   84    HE   ARG   8           HE       ARG   8   8.096   0.194 -11.581
   85   HH11  ARG   8          1HH1      ARG   8  11.041  -0.850  -9.982
   86   HH12  ARG   8          2HH1      ARG   8  11.942   0.549 -10.474
   87   HH21  ARG   8          1HH2      ARG   8   9.296   2.019 -12.230
   88   HH22  ARG   8          2HH2      ARG   8  10.959   2.174 -11.750
   89    H    GLY   9           H        GLY   9   9.434  -3.586  -5.199
   90    HA2  GLY   9          1HA       GLY   9  11.512  -1.918  -5.045
   91    HA3  GLY   9          2HA       GLY   9  10.282  -0.981  -4.205
   92    H    SER  10           H        SER  10  11.044  -1.053  -2.162
   93    HA   SER  10           HA       SER  10  11.619  -3.693  -0.989
   94    HB2  SER  10          1HB       SER  10  13.441  -1.921  -0.983
   95    HB3  SER  10          2HB       SER  10  12.426  -0.996   0.123
   96    HG   SER  10           HG       SER  10  13.582  -3.548   0.533
   97    H    GLU  11           H        GLU  11  11.132  -3.693   1.471
   98    HA   GLU  11           HA       GLU  11   8.311  -3.557   1.676
   99    HB2  GLU  11          1HB       GLU  11   8.542  -4.407   3.917
  100    HB3  GLU  11          2HB       GLU  11   9.691  -5.234   2.880
  101    HG2  GLU  11          1HG       GLU  11  10.337  -2.987   4.783
  102    HG3  GLU  11          2HG       GLU  11  10.634  -4.701   5.067
  103    H    GLU  12           H        GLU  12  10.876  -1.471   2.916
  104    HA   GLU  12           HA       GLU  12   9.403   0.267   4.506
  105    HB2  GLU  12          1HB       GLU  12  11.806   0.421   4.390
  106    HB3  GLU  12          2HB       GLU  12  11.757   0.753   2.666
  107    HG2  GLU  12          1HG       GLU  12  12.283   2.745   3.971
  108    HG3  GLU  12          2HG       GLU  12  10.779   2.928   3.072
  109    H    GLU  13           H        GLU  13  10.049   0.462   1.026
  110    HA   GLU  13           HA       GLU  13   8.517   2.759   0.509
  111    HB2  GLU  13          1HB       GLU  13   9.203   0.485  -1.371
  112    HB3  GLU  13          2HB       GLU  13   8.675   2.097  -1.846
  113    HG2  GLU  13          1HG       GLU  13  10.691   3.065  -0.873
  114    HG3  GLU  13          2HG       GLU  13  11.214   1.469  -0.342
  115    H    CYS  14           H        CYS  14   7.721  -0.691   0.467
  116    HA   CYS  14           HA       CYS  14   5.107  -0.524  -0.536
  117    HB2  CYS  14          2HB       CYS  14   6.241  -2.468   1.493
  118    HB3  CYS  14          1HB       CYS  14   4.714  -2.675   0.646
  119    H    ARG  15           H        ARG  15   6.339  -0.304   2.788
  120    HA   ARG  15           HA       ARG  15   3.804  -0.219   4.036
  121    HB2  ARG  15          1HB       ARG  15   6.531   0.679   4.988
  122    HB3  ARG  15          2HB       ARG  15   5.094   0.722   6.002
  123    HG2  ARG  15          1HG       ARG  15   4.838  -1.732   5.639
  124    HG3  ARG  15          2HG       ARG  15   6.380  -1.719   4.783
  125    HD2  ARG  15          1HD       ARG  15   7.521  -0.957   6.781
  126    HD3  ARG  15          2HD       ARG  15   5.986  -0.825   7.643
  127    HE   ARG  15           HE       ARG  15   6.587  -3.454   6.587
  128   HH11  ARG  15          1HH1      ARG  15   6.876  -1.312   9.350
  129   HH12  ARG  15          2HH1      ARG  15   7.014  -2.611  10.494
  130   HH21  ARG  15          1HH2      ARG  15   6.787  -5.147   8.086
  131   HH22  ARG  15          2HH2      ARG  15   6.969  -4.790   9.774
  132    H    LYS  16           H        LYS  16   6.130   2.446   3.362
  133    HA   LYS  16           HA       LYS  16   4.518   4.511   4.219
  134    HB2  LYS  16          1HB       LYS  16   7.015   4.415   3.360
  135    HB3  LYS  16          2HB       LYS  16   6.285   4.888   1.828
  136    HG2  LYS  16          1HG       LYS  16   5.307   6.842   2.880
  137    HG3  LYS  16          2HG       LYS  16   5.963   6.340   4.434
  138    HD2  LYS  16          1HD       LYS  16   7.352   8.089   3.488
  139    HD3  LYS  16          2HD       LYS  16   8.245   6.568   3.526
  140    HE2  LYS  16          1HE       LYS  16   8.648   7.676   1.421
  141    HE3  LYS  16          2HE       LYS  16   7.692   6.226   1.132
  142    HZ1  LYS  16          1HZ       LYS  16   6.632   8.997   1.278
  143    HZ2  LYS  16          2HZ       LYS  16   5.712   7.609   0.998
  144    HZ3  LYS  16          3HZ       LYS  16   6.866   8.103  -0.136
  145    H    TYR  17           H        TYR  17   4.768   3.047   0.999
  146    HA   TYR  17           HA       TYR  17   2.995   4.701  -0.383
  147    HB2  TYR  17          2HB       TYR  17   4.434   3.126  -1.541
  148    HB3  TYR  17          1HB       TYR  17   3.646   1.761  -0.760
  149    HD1  TYR  17          1HD       TYR  17   1.847   0.688  -1.817
  150    HD2  TYR  17          2HD       TYR  17   3.002   4.575  -3.132
  151    HE1  TYR  17          1HE       TYR  17   0.325   0.486  -3.738
  152    HE2  TYR  17          2HE       TYR  17   1.474   4.383  -5.050
  153    HH   TYR  17           HH       TYR  17   0.383   2.665  -6.374
  154    H    ALA  18           H        ALA  18   2.351   1.675   1.380
  155    HA   ALA  18           HA       ALA  18  -0.416   1.580   0.774
  156    HB1  ALA  18          1HB       ALA  18  -0.560  -0.146   2.477
  157    HB2  ALA  18          2HB       ALA  18   1.027   0.306   3.105
  158    HB3  ALA  18          3HB       ALA  18   0.880  -0.389   1.491
  159    H    GLU  19           H        GLU  19   1.405   2.910   3.483
  160    HA   GLU  19           HA       GLU  19  -0.782   3.457   5.182
  161    HB2  GLU  19          1HB       GLU  19   1.776   3.384   5.660
  162    HB3  GLU  19          2HB       GLU  19   1.775   5.057   5.134
  163    HG2  GLU  19          1HG       GLU  19   0.040   4.035   7.369
  164    HG3  GLU  19          2HG       GLU  19   1.668   4.658   7.615
  165    H    GLU  20           H        GLU  20   1.077   5.542   2.980
  166    HA   GLU  20           HA       GLU  20  -0.524   7.839   3.263
  167    HB2  GLU  20          1HB       GLU  20   1.207   6.976   0.931
  168    HB3  GLU  20          2HB       GLU  20   0.552   8.591   1.153
  169    HG2  GLU  20          1HG       GLU  20   1.814   8.794   3.255
  170    HG3  GLU  20          2HG       GLU  20   2.502   7.197   2.980
  171    H    LEU  21           H        LEU  21  -0.655   5.127   1.026
  172    HA   LEU  21           HA       LEU  21  -2.670   6.059  -0.689
  173    HB2  LEU  21          1HB       LEU  21  -1.159   4.111  -1.072
  174    HB3  LEU  21          2HB       LEU  21  -2.056   3.214   0.134
  175    HG   LEU  21           HG       LEU  21  -4.049   3.245  -1.281
  176   HD11  LEU  21          1HD1      LEU  21  -3.716   5.405  -2.372
  177   HD12  LEU  21          2HD1      LEU  21  -3.952   4.128  -3.566
  178   HD13  LEU  21          3HD1      LEU  21  -2.334   4.757  -3.258
  179   HD21  LEU  21          1HD2      LEU  21  -2.446   1.409  -1.544
  180   HD22  LEU  21          2HD2      LEU  21  -1.571   2.336  -2.762
  181   HD23  LEU  21          3HD2      LEU  21  -3.220   1.797  -3.082
  182    H    SER  22           H        SER  22  -2.817   4.175   2.302
  183    HA   SER  22           HA       SER  22  -5.593   3.709   2.318
  184    HB2  SER  22          1HB       SER  22  -4.050   2.410   3.713
  185    HB3  SER  22          2HB       SER  22  -3.652   3.851   4.647
  186    HG   SER  22           HG       SER  22  -6.339   3.027   4.437
  187    H    ARG  23           H        ARG  23  -3.637   6.196   4.009
  188    HA   ARG  23           HA       ARG  23  -5.893   7.471   5.174
  189    HB2  ARG  23          1HB       ARG  23  -4.385   9.304   5.737
  190    HB3  ARG  23          2HB       ARG  23  -3.624   7.757   6.082
  191    HG2  ARG  23          1HG       ARG  23  -2.257   7.926   4.112
  192    HG3  ARG  23          2HG       ARG  23  -3.115   9.376   3.591
  193    HD2  ARG  23          1HD       ARG  23  -0.948   9.919   4.590
  194    HD3  ARG  23          2HD       ARG  23  -2.285  10.591   5.523
  195    HE   ARG  23           HE       ARG  23  -1.183   8.018   6.387
  196   HH11  ARG  23          1HH1      ARG  23  -1.452  11.473   6.897
  197   HH12  ARG  23          2HH1      ARG  23  -0.841  11.405   8.522
  198   HH21  ARG  23          1HH2      ARG  23  -0.396   7.925   8.508
  199   HH22  ARG  23          2HH2      ARG  23  -0.232   9.388   9.439
  200    H    ARG  24           H        ARG  24  -4.303   7.807   2.084
  201    HA   ARG  24           HA       ARG  24  -5.404  10.316   1.350
  202    HB2  ARG  24          1HB       ARG  24  -3.449   9.286   0.222
  203    HB3  ARG  24          2HB       ARG  24  -4.500   8.038  -0.430
  204    HG2  ARG  24          1HG       ARG  24  -5.741   9.739  -1.691
  205    HG3  ARG  24          2HG       ARG  24  -4.675  10.989  -1.040
  206    HD2  ARG  24          1HD       ARG  24  -2.749   9.849  -2.077
  207    HD3  ARG  24          2HD       ARG  24  -3.846   8.654  -2.768
  208    HE   ARG  24           HE       ARG  24  -4.367  11.435  -3.438
  209   HH11  ARG  24          1HH1      ARG  24  -3.074   8.347  -4.423
  210   HH12  ARG  24          2HH1      ARG  24  -2.868   8.812  -6.082
  211   HH21  ARG  24          1HH2      ARG  24  -4.168  12.042  -5.626
  212   HH22  ARG  24          2HH2      ARG  24  -3.517  10.917  -6.774
  213    H    THR  25           H        THR  25  -6.350   6.968   0.617
  214    HA   THR  25           HA       THR  25  -8.760   7.712  -0.740
  215    HB   THR  25           HB       THR  25  -9.293   5.251  -0.551
  216    HG1  THR  25          1HG       THR  25  -6.689   4.778   0.365
  217   HG21  THR  25          1HG2      THR  25  -6.540   5.941  -1.613
  218   HG22  THR  25          2HG2      THR  25  -8.060   6.124  -2.490
  219   HG23  THR  25          3HG2      THR  25  -7.481   4.514  -2.053
  220    H    GLY  26           H        GLY  26  -7.866   7.015   2.555
  221    HA2  GLY  26          1HA       GLY  26  -9.052   7.311   4.521
  222    HA3  GLY  26          2HA       GLY  26 -10.418   7.881   3.574
  223    H    CYS  27           H        CYS  27  -9.038   4.884   2.686
  224    HA   CYS  27           HA       CYS  27 -11.216   3.403   4.010
  225    HB2  CYS  27          2HB       CYS  27 -10.295   3.137   1.133
  226    HB3  CYS  27          1HB       CYS  27 -11.460   2.076   1.922
  227    H    GLU  28           H        GLU  28 -10.415   0.863   2.822
  228    HA   GLU  28           HA       GLU  28  -7.886   0.503   4.314
  229    HB2  GLU  28          1HB       GLU  28  -9.804  -0.566   5.407
  230    HB3  GLU  28          2HB       GLU  28 -10.164  -1.459   3.935
  231    HG2  GLU  28          1HG       GLU  28  -8.156  -2.739   4.127
  232    HG3  GLU  28          2HG       GLU  28  -7.564  -1.718   5.438
  233    H    VAL  29           H        VAL  29  -6.236   0.146   3.025
  234    HA   VAL  29           HA       VAL  29  -6.639  -1.452   0.587
  235    HB   VAL  29           HB       VAL  29  -4.794   0.943   0.814
  236   HG11  VAL  29          1HG1      VAL  29  -4.548   0.661  -1.629
  237   HG12  VAL  29          2HG1      VAL  29  -5.510  -0.816  -1.538
  238   HG13  VAL  29          3HG1      VAL  29  -3.947  -0.727  -0.724
  239   HG21  VAL  29          1HG2      VAL  29  -7.129   1.669   0.796
  240   HG22  VAL  29          2HG2      VAL  29  -7.428   0.706  -0.651
  241   HG23  VAL  29          3HG2      VAL  29  -6.329   2.084  -0.719
  242    H    GLU  30           H        GLU  30  -5.185  -2.994   0.220
  243    HA   GLU  30           HA       GLU  30  -2.861  -3.227   2.016
  244    HB2  GLU  30          1HB       GLU  30  -4.478  -5.033   2.351
  245    HB3  GLU  30          2HB       GLU  30  -4.502  -5.374   0.627
  246    HG2  GLU  30          1HG       GLU  30  -2.191  -6.124   0.716
  247    HG3  GLU  30          2HG       GLU  30  -2.105  -5.712   2.430
  248    H    VAL  31           H        VAL  31  -0.885  -4.002   1.039
  249    HA   VAL  31           HA       VAL  31  -0.819  -3.929  -1.888
  250    HB   VAL  31           HB       VAL  31  -0.278  -1.632  -0.857
  251   HG11  VAL  31          1HG1      VAL  31   1.128  -2.405   0.982
  252   HG12  VAL  31          2HG1      VAL  31   2.001  -1.288  -0.067
  253   HG13  VAL  31          3HG1      VAL  31   2.313  -3.022  -0.173
  254   HG21  VAL  31          1HG2      VAL  31   1.492  -1.182  -2.493
  255   HG22  VAL  31          2HG2      VAL  31   0.206  -2.172  -3.179
  256   HG23  VAL  31          3HG2      VAL  31   1.736  -2.919  -2.709
  257    H    GLU  32           H        GLU  32   0.864  -5.083  -2.811
  258    HA   GLU  32           HA       GLU  32   2.446  -6.766  -0.969
  259    HB2  GLU  32          1HB       GLU  32   0.668  -7.535  -3.008
  260    HB3  GLU  32          2HB       GLU  32   2.259  -7.766  -3.714
  261    HG2  GLU  32          1HG       GLU  32   1.457  -8.910  -1.042
  262    HG3  GLU  32          2HG       GLU  32   1.243  -9.766  -2.567
  263    H    CYS  33           H        CYS  33   4.600  -7.454  -1.977
  264    HA   CYS  33           HA       CYS  33   5.773  -5.066  -3.258
  265    HB2  CYS  33          2HB       CYS  33   7.129  -7.023  -1.388
  266    HB3  CYS  33          1HB       CYS  33   7.826  -5.547  -2.046
  267    H    GLU  34           H        GLU  34   6.676  -5.319  -5.150
  268    HA   GLU  34           HA       GLU  34   7.391  -8.014  -6.107
  269    HB2  GLU  34          1HB       GLU  34   6.635  -5.581  -7.751
  270    HB3  GLU  34          2HB       GLU  34   6.926  -7.204  -8.358
  271    HG2  GLU  34          1HG       GLU  34   4.690  -6.463  -6.485
  272    HG3  GLU  34          2HG       GLU  34   4.535  -6.567  -8.236
  273    H    THR  35           H        THR  35   9.205  -7.989  -7.707
  274    HA   THR  35           HA       THR  35  11.401  -6.413  -6.706
  275    HB   THR  35           HB       THR  35  12.689  -7.631  -8.556
  276    HG1  THR  35          1HG       THR  35  10.564  -8.093  -9.683
  277   HG21  THR  35          1HG2      THR  35  12.716  -8.404  -6.228
  278   HG22  THR  35          2HG2      THR  35  12.702  -9.769  -7.347
  279   HG23  THR  35          3HG2      THR  35  11.223  -9.304  -6.507
  Start of MODEL   20
    1    H1   CYS   1          1H        CYS   1 -15.235  -0.970  -1.247
    2    H2   CYS   1          2H        CYS   1 -14.314  -0.232  -2.458
    3    H3   CYS   1          3H        CYS   1 -15.673   0.552  -1.835
    4    HA   CYS   1           HA       CYS   1 -13.625   1.491  -0.979
    5    HB2  CYS   1          2HB       CYS   1 -15.771   1.438   0.339
    6    HB3  CYS   1          1HB       CYS   1 -15.170   0.006   1.162
    7    H    LYS   2           H        LYS   2 -13.264  -1.561  -1.707
    8    HA   LYS   2           HA       LYS   2 -10.955  -1.946   0.092
    9    HB2  LYS   2          1HB       LYS   2 -12.424  -4.000  -1.592
   10    HB3  LYS   2          2HB       LYS   2 -10.991  -4.323  -0.628
   11    HG2  LYS   2          1HG       LYS   2 -12.323  -3.617   1.394
   12    HG3  LYS   2          2HG       LYS   2 -13.748  -3.609   0.350
   13    HD2  LYS   2          1HD       LYS   2 -11.947  -5.973   0.919
   14    HD3  LYS   2          2HD       LYS   2 -13.582  -5.731   1.536
   15    HE2  LYS   2          1HE       LYS   2 -14.489  -5.874  -0.709
   16    HE3  LYS   2          2HE       LYS   2 -12.866  -5.992  -1.387
   17    HZ1  LYS   2          1HZ       LYS   2 -14.108  -7.975   0.440
   18    HZ2  LYS   2          2HZ       LYS   2 -12.569  -8.087  -0.248
   19    HZ3  LYS   2          3HZ       LYS   2 -13.938  -8.152  -1.235
   20    H    GLN   3           H        GLN   3  -8.994  -1.724  -0.787
   21    HA   GLN   3           HA       GLN   3  -8.742  -1.917  -3.719
   22    HB2  GLN   3          1HB       GLN   3  -7.385   0.022  -1.846
   23    HB3  GLN   3          2HB       GLN   3  -6.866  -0.240  -3.502
   24    HG2  GLN   3          1HG       GLN   3  -9.040   0.507  -4.319
   25    HG3  GLN   3          2HG       GLN   3  -9.588   0.751  -2.662
   26   HE21  GLN   3          1HE2      GLN   3  -8.269   3.897  -4.347
   27   HE22  GLN   3          2HE2      GLN   3  -9.257   2.616  -4.952
   28    H    ARG   4           H        ARG   4  -7.270  -3.245  -4.439
   29    HA   ARG   4           HA       ARG   4  -5.387  -4.463  -2.528
   30    HB2  ARG   4          1HB       ARG   4  -7.290  -5.923  -3.449
   31    HB3  ARG   4          2HB       ARG   4  -6.486  -5.810  -5.008
   32    HG2  ARG   4          1HG       ARG   4  -4.523  -6.902  -4.124
   33    HG3  ARG   4          2HG       ARG   4  -5.214  -6.903  -2.502
   34    HD2  ARG   4          1HD       ARG   4  -6.303  -8.380  -4.903
   35    HD3  ARG   4          2HD       ARG   4  -5.425  -9.100  -3.555
   36    HE   ARG   4           HE       ARG   4  -8.147  -7.960  -3.437
   37   HH11  ARG   4          1HH1      ARG   4  -5.616  -9.911  -1.989
   38   HH12  ARG   4          2HH1      ARG   4  -6.672 -10.618  -0.806
   39   HH21  ARG   4          1HH2      ARG   4  -9.524  -8.918  -1.884
   40   HH22  ARG   4          2HH2      ARG   4  -8.883 -10.078  -0.762
   41    H    ARG   5           H        ARG   5  -3.319  -4.025  -2.980
   42    HA   ARG   5           HA       ARG   5  -2.716  -2.825  -5.606
   43    HB2  ARG   5          1HB       ARG   5  -1.523  -2.218  -2.883
   44    HB3  ARG   5          2HB       ARG   5  -0.977  -1.505  -4.393
   45    HG2  ARG   5          1HG       ARG   5  -3.700  -1.156  -3.141
   46    HG3  ARG   5          2HG       ARG   5  -2.398   0.035  -3.175
   47    HD2  ARG   5          1HD       ARG   5  -2.507  -0.144  -5.712
   48    HD3  ARG   5          2HD       ARG   5  -4.015  -1.029  -5.482
   49    HE   ARG   5           HE       ARG   5  -4.121   1.401  -4.061
   50   HH11  ARG   5          1HH1      ARG   5  -4.271   0.103  -7.305
   51   HH12  ARG   5          2HH1      ARG   5  -5.048   1.505  -7.973
   52   HH21  ARG   5          1HH2      ARG   5  -5.185   3.254  -4.929
   53   HH22  ARG   5          2HH2      ARG   5  -5.591   3.278  -6.614
   54    H    ARG   6           H        ARG   6  -1.030  -3.545  -6.733
   55    HA   ARG   6           HA       ARG   6   0.809  -5.478  -5.477
   56    HB2  ARG   6          1HB       ARG   6  -0.495  -6.440  -7.337
   57    HB3  ARG   6          2HB       ARG   6   0.051  -5.151  -8.399
   58    HG2  ARG   6          1HG       ARG   6   2.363  -5.942  -8.157
   59    HG3  ARG   6          2HG       ARG   6   1.797  -7.246  -7.113
   60    HD2  ARG   6          1HD       ARG   6   0.446  -8.138  -8.949
   61    HD3  ARG   6          2HD       ARG   6   0.988  -6.822  -9.996
   62    HE   ARG   6           HE       ARG   6   3.240  -8.131  -8.984
   63   HH11  ARG   6          1HH1      ARG   6   0.599  -8.770 -11.199
   64   HH12  ARG   6          2HH1      ARG   6   1.492  -9.929 -12.122
   65   HH21  ARG   6          1HH2      ARG   6   4.408  -9.635 -10.180
   66   HH22  ARG   6          2HH2      ARG   6   3.664 -10.444 -11.529
   67    H    TYR   7           H        TYR   7   2.538  -4.338  -4.841
   68    HA   TYR   7           HA       TYR   7   3.492  -2.141  -6.568
   69    HB2  TYR   7          2HB       TYR   7   2.577  -1.449  -4.345
   70    HB3  TYR   7          1HB       TYR   7   3.802  -2.437  -3.562
   71    HD1  TYR   7          1HD       TYR   7   6.010  -1.607  -3.231
   72    HD2  TYR   7          2HD       TYR   7   3.290   0.543  -5.699
   73    HE1  TYR   7          1HE       TYR   7   7.557   0.298  -3.268
   74    HE2  TYR   7          2HE       TYR   7   4.835   2.458  -5.741
   75    HH   TYR   7           HH       TYR   7   6.673   3.391  -4.455
   76    H    ARG   8           H        ARG   8   5.718  -1.919  -6.877
   77    HA   ARG   8           HA       ARG   8   7.348  -4.232  -6.056
   78    HB2  ARG   8          1HB       ARG   8   8.677  -3.866  -8.133
   79    HB3  ARG   8          2HB       ARG   8   7.015  -4.349  -8.435
   80    HG2  ARG   8          1HG       ARG   8   6.425  -2.040  -8.967
   81    HG3  ARG   8          2HG       ARG   8   8.081  -1.530  -8.627
   82    HD2  ARG   8          1HD       ARG   8   7.198  -3.437 -10.798
   83    HD3  ARG   8          2HD       ARG   8   7.753  -1.777 -11.019
   84    HE   ARG   8           HE       ARG   8   9.802  -3.038  -9.707
   85   HH11  ARG   8          1HH1      ARG   8   8.087  -3.592 -12.717
   86   HH12  ARG   8          2HH1      ARG   8   9.458  -4.303 -13.508
   87   HH21  ARG   8          1HH2      ARG   8  11.602  -3.957 -10.755
   88   HH22  ARG   8          2HH2      ARG   8  11.460  -4.495 -12.399
   89    H    GLY   9           H        GLY   9   8.709  -3.674  -4.540
   90    HA2  GLY   9          1HA       GLY   9  10.714  -1.778  -4.719
   91    HA3  GLY   9          2HA       GLY   9   9.371  -0.989  -3.895
   92    H    SER  10           H        SER  10  11.426  -1.066  -2.357
   93    HA   SER  10           HA       SER  10  11.682  -3.556  -0.909
   94    HB2  SER  10          1HB       SER  10  12.874  -0.845  -0.271
   95    HB3  SER  10          2HB       SER  10  13.378  -2.405   0.386
   96    HG   SER  10           HG       SER  10  13.572  -1.511  -2.302
   97    H    GLU  11           H        GLU  11  11.658  -3.372   1.562
   98    HA   GLU  11           HA       GLU  11   9.092  -3.249   2.470
   99    HB2  GLU  11          1HB       GLU  11  10.017  -3.166   4.756
  100    HB3  GLU  11          2HB       GLU  11  10.878  -4.313   3.736
  101    HG2  GLU  11          1HG       GLU  11  12.694  -2.734   3.436
  102    HG3  GLU  11          2HG       GLU  11  11.819  -1.518   4.363
  103    H    GLU  12           H        GLU  12  11.441  -0.592   2.506
  104    HA   GLU  12           HA       GLU  12   9.897   1.169   4.086
  105    HB2  GLU  12          1HB       GLU  12  12.296   1.505   3.794
  106    HB3  GLU  12          2HB       GLU  12  12.078   1.771   2.069
  107    HG2  GLU  12          1HG       GLU  12  10.824   3.803   2.510
  108    HG3  GLU  12          2HG       GLU  12  10.933   3.519   4.245
  109    H    GLU  13           H        GLU  13  10.383   1.035   0.543
  110    HA   GLU  13           HA       GLU  13   8.613   3.049  -0.174
  111    HB2  GLU  13          1HB       GLU  13   9.258   0.488  -1.661
  112    HB3  GLU  13          2HB       GLU  13   8.345   1.821  -2.351
  113    HG2  GLU  13          1HG       GLU  13  10.491   2.130  -3.167
  114    HG3  GLU  13          2HG       GLU  13  10.388   3.264  -1.824
  115    H    CYS  14           H        CYS  14   7.999  -0.371   0.420
  116    HA   CYS  14           HA       CYS  14   5.290  -0.480  -0.198
  117    HB2  CYS  14          2HB       CYS  14   6.836  -1.969   1.937
  118    HB3  CYS  14          1HB       CYS  14   5.201  -2.383   1.429
  119    H    ARG  15           H        ARG  15   6.798   0.163   2.978
  120    HA   ARG  15           HA       ARG  15   4.398   0.574   4.375
  121    HB2  ARG  15          1HB       ARG  15   7.233   1.465   4.883
  122    HB3  ARG  15          2HB       ARG  15   5.930   1.912   5.972
  123    HG2  ARG  15          1HG       ARG  15   6.817  -0.895   5.303
  124    HG3  ARG  15          2HG       ARG  15   7.108  -0.028   6.814
  125    HD2  ARG  15          1HD       ARG  15   4.474  -0.993   5.706
  126    HD3  ARG  15          2HD       ARG  15   5.271  -1.492   7.199
  127    HE   ARG  15           HE       ARG  15   4.857   1.219   7.461
  128   HH11  ARG  15          1HH1      ARG  15   2.860  -1.631   7.059
  129   HH12  ARG  15          2HH1      ARG  15   1.444  -0.888   7.739
  130   HH21  ARG  15          1HH2      ARG  15   3.006   2.197   8.366
  131   HH22  ARG  15          2HH2      ARG  15   1.536   1.286   8.502
  132    H    LYS  16           H        LYS  16   6.539   2.881   2.724
  133    HA   LYS  16           HA       LYS  16   5.365   5.227   3.542
  134    HB2  LYS  16          1HB       LYS  16   7.608   4.678   2.472
  135    HB3  LYS  16          2HB       LYS  16   6.753   4.593   0.941
  136    HG2  LYS  16          1HG       LYS  16   7.766   6.673   1.114
  137    HG3  LYS  16          2HG       LYS  16   6.032   6.889   1.290
  138    HD2  LYS  16          1HD       LYS  16   6.246   7.148   3.680
  139    HD3  LYS  16          2HD       LYS  16   7.965   6.758   3.604
  140    HE2  LYS  16          1HE       LYS  16   6.641   9.184   2.381
  141    HE3  LYS  16          2HE       LYS  16   7.596   9.167   3.864
  142    HZ1  LYS  16          1HZ       LYS  16   9.502   8.400   2.531
  143    HZ2  LYS  16          2HZ       LYS  16   8.946   9.922   2.052
  144    HZ3  LYS  16          3HZ       LYS  16   8.573   8.558   1.125
  145    H    TYR  17           H        TYR  17   5.075   3.516   0.433
  146    HA   TYR  17           HA       TYR  17   3.089   5.138  -0.694
  147    HB2  TYR  17          2HB       TYR  17   4.556   3.592  -1.963
  148    HB3  TYR  17          1HB       TYR  17   3.712   2.222  -1.259
  149    HD1  TYR  17          1HD       TYR  17   1.528   1.549  -2.090
  150    HD2  TYR  17          2HD       TYR  17   3.472   5.000  -3.663
  151    HE1  TYR  17          1HE       TYR  17  -0.057   1.582  -3.970
  152    HE2  TYR  17          2HE       TYR  17   1.888   5.041  -5.540
  153    HH   TYR  17           HH       TYR  17   0.431   3.358  -6.757
  154    H    ALA  18           H        ALA  18   2.842   2.058   1.059
  155    HA   ALA  18           HA       ALA  18   0.080   1.669   0.685
  156    HB1  ALA  18          1HB       ALA  18   1.623  -0.116   1.370
  157    HB2  ALA  18          2HB       ALA  18   0.238   0.012   2.455
  158    HB3  ALA  18          3HB       ALA  18   1.807   0.654   2.945
  159    H    GLU  19           H        GLU  19   1.886   3.179   3.358
  160    HA   GLU  19           HA       GLU  19  -0.424   3.557   4.970
  161    HB2  GLU  19          1HB       GLU  19   1.863   3.444   5.905
  162    HB3  GLU  19          2HB       GLU  19   2.239   4.983   5.140
  163    HG2  GLU  19          1HG       GLU  19   0.796   6.176   6.554
  164    HG3  GLU  19          2HG       GLU  19  -0.040   4.714   7.077
  165    H    GLU  20           H        GLU  20   1.448   5.767   2.867
  166    HA   GLU  20           HA       GLU  20  -0.091   8.047   3.234
  167    HB2  GLU  20          1HB       GLU  20   1.736   7.044   1.146
  168    HB3  GLU  20          2HB       GLU  20   0.574   8.236   0.586
  169    HG2  GLU  20          1HG       GLU  20   2.669   9.276   1.245
  170    HG3  GLU  20          2HG       GLU  20   1.339   9.812   2.266
  171    H    LEU  21           H        LEU  21  -0.569   5.402   0.925
  172    HA   LEU  21           HA       LEU  21  -2.846   6.472  -0.346
  173    HB2  LEU  21          1HB       LEU  21  -1.299   4.529  -1.039
  174    HB3  LEU  21          2HB       LEU  21  -2.287   3.527  -0.000
  175    HG   LEU  21           HG       LEU  21  -3.383   5.093  -2.347
  176   HD11  LEU  21          1HD1      LEU  21  -1.781   3.484  -3.177
  177   HD12  LEU  21          2HD1      LEU  21  -3.416   2.939  -3.546
  178   HD13  LEU  21          3HD1      LEU  21  -2.519   2.202  -2.217
  179   HD21  LEU  21          1HD2      LEU  21  -5.074   4.538  -0.699
  180   HD22  LEU  21          2HD2      LEU  21  -4.558   2.851  -0.695
  181   HD23  LEU  21          3HD2      LEU  21  -5.292   3.548  -2.139
  182    H    SER  22           H        SER  22  -2.529   4.159   2.337
  183    HA   SER  22           HA       SER  22  -5.288   3.658   2.637
  184    HB2  SER  22          1HB       SER  22  -3.466   2.169   3.475
  185    HB3  SER  22          2HB       SER  22  -3.112   3.357   4.729
  186    HG   SER  22           HG       SER  22  -5.105   2.983   5.636
  187    H    ARG  23           H        ARG  23  -3.157   6.084   4.045
  188    HA   ARG  23           HA       ARG  23  -5.169   7.000   5.916
  189    HB2  ARG  23          1HB       ARG  23  -3.553   8.510   6.729
  190    HB3  ARG  23          2HB       ARG  23  -2.632   7.081   6.284
  191    HG2  ARG  23          1HG       ARG  23  -2.317   8.366   4.015
  192    HG3  ARG  23          2HG       ARG  23  -2.703   9.775   5.001
  193    HD2  ARG  23          1HD       ARG  23  -0.415   7.842   5.336
  194    HD3  ARG  23          2HD       ARG  23  -0.335   9.565   4.975
  195    HE   ARG  23           HE       ARG  23  -1.626   9.180   7.453
  196   HH11  ARG  23          1HH1      ARG  23   1.544   8.934   5.982
  197   HH12  ARG  23          2HH1      ARG  23   2.390   9.206   7.473
  198   HH21  ARG  23          1HH2      ARG  23  -0.534   9.531   9.400
  199   HH22  ARG  23          2HH2      ARG  23   1.202   9.560   9.431
  200    H    ARG  24           H        ARG  24  -4.108   7.713   2.700
  201    HA   ARG  24           HA       ARG  24  -5.323  10.253   2.393
  202    HB2  ARG  24          1HB       ARG  24  -3.660   9.433   0.808
  203    HB3  ARG  24          2HB       ARG  24  -4.705   8.092   0.363
  204    HG2  ARG  24          1HG       ARG  24  -6.363   9.780  -0.481
  205    HG3  ARG  24          2HG       ARG  24  -5.137  11.019  -0.209
  206    HD2  ARG  24          1HD       ARG  24  -4.870   8.619  -2.023
  207    HD3  ARG  24          2HD       ARG  24  -5.150  10.282  -2.539
  208    HE   ARG  24           HE       ARG  24  -2.890  10.552  -1.157
  209   HH11  ARG  24          1HH1      ARG  24  -3.804   8.196  -3.581
  210   HH12  ARG  24          2HH1      ARG  24  -2.187   7.981  -4.171
  211   HH21  ARG  24          1HH2      ARG  24  -0.763  10.300  -1.947
  212   HH22  ARG  24          2HH2      ARG  24  -0.454   9.205  -3.257
  213    H    THR  25           H        THR  25  -6.437   6.946   1.700
  214    HA   THR  25           HA       THR  25  -9.162   8.010   1.273
  215    HB   THR  25           HB       THR  25  -8.012   5.389   0.273
  216    HG1  THR  25          1HG       THR  25  -8.305   7.951  -0.911
  217   HG21  THR  25          1HG2      THR  25 -10.036   5.312  -1.129
  218   HG22  THR  25          2HG2      THR  25 -10.625   6.788  -0.361
  219   HG23  THR  25          3HG2      THR  25 -10.445   5.311   0.586
  220    H    GLY  26           H        GLY  26 -10.484   7.677   2.929
  221    HA2  GLY  26          1HA       GLY  26 -10.022   5.852   5.052
  222    HA3  GLY  26          2HA       GLY  26 -11.517   6.725   4.745
  223    H    CYS  27           H        CYS  27  -9.645   3.901   3.797
  224    HA   CYS  27           HA       CYS  27 -12.060   2.326   3.467
  225    HB2  CYS  27          2HB       CYS  27 -10.339   3.213   1.194
  226    HB3  CYS  27          1HB       CYS  27 -10.899   1.538   1.170
  227    H    GLU  28           H        GLU  28 -10.923   0.099   2.257
  228    HA   GLU  28           HA       GLU  28  -8.849  -0.689   4.204
  229    HB2  GLU  28          1HB       GLU  28 -10.925  -1.917   4.538
  230    HB3  GLU  28          2HB       GLU  28 -10.991  -2.339   2.832
  231    HG2  GLU  28          1HG       GLU  28  -8.990  -3.705   3.070
  232    HG3  GLU  28          2HG       GLU  28  -8.869  -3.252   4.771
  233    H    VAL  29           H        VAL  29  -6.922  -0.733   3.263
  234    HA   VAL  29           HA       VAL  29  -6.721  -1.555   0.433
  235    HB   VAL  29           HB       VAL  29  -4.912   0.380   1.907
  236   HG11  VAL  29          1HG1      VAL  29  -3.750  -0.849   0.143
  237   HG12  VAL  29          2HG1      VAL  29  -3.966   0.841  -0.314
  238   HG13  VAL  29          3HG1      VAL  29  -5.005  -0.402  -1.012
  239   HG21  VAL  29          1HG2      VAL  29  -7.049   0.933  -0.160
  240   HG22  VAL  29          2HG2      VAL  29  -5.930   2.124   0.506
  241   HG23  VAL  29          3HG2      VAL  29  -7.124   1.354   1.552
  242    H    GLU  30           H        GLU  30  -5.566  -3.313   0.057
  243    HA   GLU  30           HA       GLU  30  -3.563  -4.190   2.045
  244    HB2  GLU  30          1HB       GLU  30  -5.518  -5.734   1.714
  245    HB3  GLU  30          2HB       GLU  30  -5.049  -5.899   0.028
  246    HG2  GLU  30          1HG       GLU  30  -2.885  -6.841   0.744
  247    HG3  GLU  30          2HG       GLU  30  -3.411  -6.724   2.423
  248    H    VAL  31           H        VAL  31  -1.497  -4.107   1.364
  249    HA   VAL  31           HA       VAL  31  -1.017  -3.833  -1.541
  250    HB   VAL  31           HB       VAL  31   0.597  -2.597   0.709
  251   HG11  VAL  31          1HG1      VAL  31   1.981  -3.125  -1.229
  252   HG12  VAL  31          2HG1      VAL  31   1.764  -1.379  -1.090
  253   HG13  VAL  31          3HG1      VAL  31   0.846  -2.291  -2.293
  254   HG21  VAL  31          1HG2      VAL  31  -1.588  -1.522   0.481
  255   HG22  VAL  31          2HG2      VAL  31  -1.308  -1.293  -1.248
  256   HG23  VAL  31          3HG2      VAL  31  -0.300  -0.447  -0.071
  257    H    GLU  32           H        GLU  32   0.404  -5.168  -2.462
  258    HA   GLU  32           HA       GLU  32   2.034  -6.937  -0.749
  259    HB2  GLU  32          1HB       GLU  32   0.912  -7.389  -3.533
  260    HB3  GLU  32          2HB       GLU  32   2.015  -8.489  -2.720
  261    HG2  GLU  32          1HG       GLU  32   0.378  -8.909  -0.989
  262    HG3  GLU  32          2HG       GLU  32  -0.722  -7.733  -1.710
  263    H    CYS  33           H        CYS  33   4.149  -7.536  -1.686
  264    HA   CYS  33           HA       CYS  33   5.269  -5.288  -3.227
  265    HB2  CYS  33          2HB       CYS  33   6.505  -6.611  -0.802
  266    HB3  CYS  33          1HB       CYS  33   7.225  -5.310  -1.745
  267    H    GLU  34           H        GLU  34   6.646  -5.765  -4.795
  268    HA   GLU  34           HA       GLU  34   8.103  -8.319  -4.736
  269    HB2  GLU  34          1HB       GLU  34   6.840  -7.051  -7.188
  270    HB3  GLU  34          2HB       GLU  34   7.948  -8.418  -7.225
  271    HG2  GLU  34          1HG       GLU  34   6.309  -9.700  -5.854
  272    HG3  GLU  34          2HG       GLU  34   5.188  -8.349  -6.016
  273    H    THR  35           H        THR  35   9.897  -8.028  -6.649
  274    HA   THR  35           HA       THR  35  11.221  -5.481  -5.987
  275    HB   THR  35           HB       THR  35  13.347  -6.782  -6.610
  276    HG1  THR  35          1HG       THR  35  12.246  -8.559  -7.610
  277   HG21  THR  35          1HG2      THR  35  12.761  -6.225  -4.286
  278   HG22  THR  35          2HG2      THR  35  13.506  -7.821  -4.386
  279   HG23  THR  35          3HG2      THR  35  11.760  -7.677  -4.191