*HEADER    RNA                                     23-MAY-06   2H49              
*TITLE     THE NMR STRUCTURE OF AN INTERNAL LOOP FROM 23S RIBOSOMAL              
*TITLE    2 RNA OF DEINOCOCCUS RADIODURANS DIFFERS FROM THE STRUCTURE            
*TITLE    3 IN THE CRYSTAL OF THE RIBOSOMAL SUBUNIT                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*CP*UP*AP*AP*GP*AP*C)-3';                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-R(*GP*UP*CP*GP*AP*AP*GP*CP*C)-3';                       
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED ON A DNA/RNA SYNTHESIZER;                 
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: SYNTHESIZED ON A DNA/RNA SYNTHESIZER                  
*KEYWDS    RNA INTERNAL LOOP 5'CUAAG3'/3'GAAGC5', COMPARISON BETWEEN             
*KEYWDS   2 CRYSTAL STRUCTURE AND NMR STRUCTURE, THERMODYNAMICS OF               
*KEYWDS   3 INTERNAL LOOP                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.SHANKAR                                                             
*REVDAT   2   02-JAN-07 2H49    1 REMOVE NON ASCII IN THE FILE 
*REVDAT   1   21-NOV-06 2H49    0

List of Distance and Dihedral Angle Restraints Used for Modeling.

Hydrogen bonds for the stem region
Atom 1  Atom 2  Lower limit Upper limit
G1H1     C18N3           1.800     2.500    
G1O6          C18H42          1.800    2.500  
G1H22         C18O2           1.800     2.500    
G2H1            C17N3           1.800     2.500    
G2O6            C17H42          1.800     2.500    
G2H22           C17O2           1.800    2.500    
C3N3            G16H1           1.800     2.500    
C3H42           G16O6           1.800     2.500    
C3O2            G16H22          1.800     2.500    
G7H1            C12N3           1.800     2.500    
G7O6            C12H42          1.800     2.500    
G7H22           C12O2           1.800     2.500    
A8H62           U11O4           1.800     2.500    
A8N1            U11H3           1.800     2.500    
C9N3          G10H1          1.800     2.500    
C9H42         G10O6          1.800     2.500    
C9O2          G10H22        1.800     2.500    

NOESY restraints from 100 ms spectrum at 25 C
Proton 1 Proton 2 Lower limit Upper limit NMR Distance
 G1H2'  G1H1'  2.30  4.27  3.29
 G1H2'  G1H8  3.24  6.02  4.63
 G1H2'  G2H8  2.05  3.81  2.93
 G1H8  G1H3'  2.11  3.92  3.02
 G2H8  G2H3'  2.23  4.14  3.19
 G2H1'  G2H2'  1.82  3.38  2.60
 G2H8  G1H1'  2.58  4.79  3.68
 G2H8  G1H3'  1.95  3.62  2.78
 G2H8  G2H1'  2.97  5.51  4.24
 G2H8  G2H2'  2.18  4.05  3.11
 C3H1'  C3H3'  2.33  4.32  3.33
 C3H5  G2H2'  2.44  4.53  3.49
 C3H6  G2H1'  2.54  4.71  3.62
 C3H6  G2H2'  1.77  3.29  2.53
 C3H6  C3H5  1.71  3.18  2.45
 C3H6  C3H1'  2.46  4.56  3.51
 C3H6  C3H2'  2.54  4.72  3.63
 C3H6  C3H3'  2.09  3.88  2.98
 C3H6  U4H5  3.36  6.24  4.80
 U4H1'  U4H3'  2.04  3.79  2.91
 U4H1'  U4H4'  2.18  4.06  3.12
 U4H6  C3H3'  2.20  4.09  3.15
 U4H1'  U4H2'  1.73  3.22  2.48
 U4H6  C3H1'  2.54  4.72  3.63
 U4H6  C3H2'  1.80  3.35  2.57
 U4H6  U4H4'  2.98  5.53  4.25
 U4H6  U4H1'  2.21  4.11  3.16
 U4H6  U4H2'  2.70  5.01  3.86
 U4H6  U4H3'  1.81  3.36  2.59
 U4H6  U4H5  1.70  3.17  2.44
 A5H1'  A5H4'  2.19  4.07  3.13
 A5H1'  A5H2'  2.00  3.71  2.85
 A5H3'  A5H1'  2.36  4.38  3.37
 A5H3'  A5H8  2.20  4.09  3.14
 A5H3'  A6H8  4.14  7.70  5.92
 A5H8  U4H3'  2.15  3.99  3.07
 A5H8  U4H1'  2.76  5.13  3.94
 A5H8  U4H2'  1.88  3.49  2.69
 A5H8  A5H4'  2.42  4.49  3.46
 A5H8  A5H1'  2.57  4.78  3.67
 A5H8  A5H2'  2.08  3.87  2.98
 A6H1'  A6H3'  2.47  4.58  3.52
 A6H1'  A6H4'  2.94  5.46  4.20
 A6H8  A6H3'  2.65  4.93  3.79
 A6H1'  A6H2'  2.28  4.24  3.26
 A6H8  A5H1'  2.38  4.44  3.41
 A6H8  A5H2'  2.02  3.76  2.89
 A6H8  A6H1'  2.50  4.65  3.57
 A6H8  A6H4'  3.48  6.46  4.97
 A6H8  G7H8  2.35  4.36  3.35
 G7H2'  G7H1'  1.69  3.14  2.41
 G7H8  A6H3'  1.81  3.36  2.58
 G7H8  G7H1'  2.69  5.00  3.84
 G7H8  A6H1'  3.09  5.73  4.41
 G7H8  G7H2'  2.41  4.47  3.44
 A8H2  C9H1'  2.22  4.13  3.18
 A8H8  A8H3'  2.09  3.89  2.99
 A8H8  C9H5  3.02  5.60  4.31
 A8H1'  G7H2'  2.80  5.21  4.01
 A8H1'  A8H3'  2.27  4.22  3.25
 A8H1'  A8H2'  1.68  3.11  2.39
 A8H2  C12H1'         1.92  3.57  2.75
 A8H8  G7H2'  1.80  3.34  2.57
 A8H8  G7H8  3.58  6.65  5.11
 A8H8  A8H1'  2.44  4.54  3.49
 A8H8  A8H2'  2.35  4.37  3.36
 C9H1'  A8H2'  2.24  4.16  3.20
 C9H1'  C9H3'  2.03  3.77  2.90
 C9H1'  C9H2'  1.68  3.11  2.39
 C9H1'  C9H5  2.95  5.48  4.22
 C9H5  A8H3'  2.65  4.92  3.79
 C9H5  A8H2'  2.16  4.01  3.09
 C9H5  C9H2'  3.07  5.70  4.39
 C9H6  A8H3'  2.30  4.27  3.28
 C9H6  A8H1'  2.59  4.81  3.70
 C9H6  A8H2'  1.75  3.26  2.51
 C9H6  C9H1'  2.38  4.41  3.39
 C9H6  C9H2'  2.50  4.64  3.57
 C9H6  C9H5  1.70  3.16  2.43
 G10H1'  G10H2'  1.77  3.29  2.53
 G10H1'  U11H5  3.05  5.66  4.35
 U11H6  U11H2'  2.11  3.92  3.01
 U11H6  U11H3'  1.88  3.50  2.69
 U11H1'  U11H3'  2.42  4.49  3.46
 U11H1'  U11H2'  1.80  3.35  2.57
 U11H1'  C12H5  3.46  6.43  4.94
 U11H5  G10H2'  2.09  3.88  2.99
 U11H6  G10H1'  2.56  4.76  3.66
 U11H6  G10H2'  1.62  3.00  2.31
 U11H6  U11H1'  2.16  4.02  3.09
 U11H6  U11H5  1.73  3.21  2.47
 C12H1'  C12H3'  2.52  4.67  3.60
 C12H6  U11H2'  1.71  3.17  2.44
 C12H6  C12H3'  2.10  3.90  3.00
 C12H6  C12H5  1.72  3.19  2.45
 C12H1'  C12H2'  1.50  2.79  2.14
 C12H5  U11H2'  2.33  4.32  3.33
 C12H5  U11H5  2.39  4.44  3.42
 C12H6  U11H1'  2.44  4.54  3.49
 C12H6  C12H1'  2.34  4.34  3.34
 G13H1'  C12H2'  2.21  4.11  3.16
 G13H1'  G13H3'  2.22  4.12  3.17
 G13H3'  G13H2'  1.85  3.43  2.64
 G13H3'  G13H4'  1.75  3.25  2.50
 G13H8  A8H2  4.58  8.50  6.54
 G13H8  C12H2'  1.84  3.41  2.63
 G13H8  C12H3'  1.98  3.68  2.83
 G13H8  G13H2'  2.14  3.97  3.06
 G13H8  G13H3'  1.93  3.58  2.75
 G13H8  G13H4'  2.27  4.22  3.25
 G13H1'  G13H2'  1.71  3.17  2.44
 G13H1'  G13H4'  2.11  3.92  3.01
 G13H8  C12H1'  2.70  5.01  3.85 
 G13H8  G13H1'  2.44  4.53  3.48 
 A14H1'  A14H3'  2.96  5.49  4.22 
 A14H2'  A14H3'  1.80  3.35  2.58 
 A14H2'  A14H4'  2.24  4.15  3.20 
 A14H8  G13H3'  2.94  5.46  4.20 
 A14H8  A14H4'  2.35  4.36  3.36 
 A14H1'  A14H4'  2.36  4.38  3.37 
 A14H1'  A14H2'  1.79  3.32  2.55 
 A14H2  A6H1'  2.05  3.81  2.93 
 A14H2  A15H1'  1.88  3.48  2.68 
 A14H2  A15H8  2.49  4.62  3.55 
 A14H2'  A15H3'  2.37  5.52  3.94 +/- 40%
 A14H8  G13H1'  2.73  5.08  3.91 
 A14H8  G13H2'  1.95  3.62  2.79 
 A14H8  A14H3'  2.00  3.72  2.86 
 A14H8  A14H1'  2.38  4.42  3.40 
 A14H8  A14H2'  2.35  4.37  3.36 
 A14H8  A15H8  2.68  4.97  3.83 
 A15H1'  A15H2'  1.89  3.51  2.70 
 A15H8  A14H3'  2.12  3.94  3.03 
 A15H8  A15H2'  1.90  4.44  3.17 +/- 40%
 A15H1'  A15H3'  2.30  4.27  3.28 
 A15H2  A5H1'  2.28  4.23  3.26 
 A15H2  G16H1'  1.91  3.55  2.73 
 A15H8  A15H1'  3.12  5.79  4.45 
 A15H8  A15H3'  1.80  3.34  2.57 
 G16H1'  A15H2'  3.08  5.73  4.40 
 G16H1'  A15H3'  3.40  6.31  4.85 
 G16H1'  G16H2'  1.71  3.18  2.44 
 G16H1'  C17H5  3.06  5.68  4.37 
 G16H8  A15H1'  2.73  5.08  3.91 
 G16H8  A15H2'  1.73  3.21  2.47 
 G16H8  A15H3'  2.05  3.80  2.93 
 G16H8  G16H1'  2.62  4.87  3.74 
 G16H8  C17H5  3.52  6.54  5.03 
 C17H1'  C17H3'  1.63  3.81  2.72 +/- 40%
 C17H1'  C17H2'  1.62  3.00  2.31 
 C17H5  G16H2'  2.07  3.84  2.95 
 C17H6  G16H1'  2.63  4.89  3.76 
 C17H6  G16H2'  1.63  3.03  2.33 
 C17H6  C17H1'  1.95  3.62  2.79 
 C17H6  C17H2'  2.09  3.88  2.98 
 C17H6  C17H5  1.74  3.22  2.48 
 C18H6  C17H2'  1.73  3.21  2.47 
 C18H1'  C17H2'  2.91  5.40  4.15 
 C18H1'  C18H2'  1.67  3.10  2.38 
 C18H6  C18H1'  2.43  4.52  3.48 
 C18H6  C18H2'  1.83  4.27  3.05 +/- 40%

NOESY distance restraints from 200 ms 30 C spectrum

A5H2  G13H2'  2.47  5.76  4.11    +/- 40%
A5H2  A14H8  2.64  6.17  4.41    +/- 40%
A6H2         G7H1'    1.77    4.14    2.96     +/- 40%
A6H2  A6H1'  2.49  5.72  4.08    +/- 40%
A6H2  A14H1'  1.54     3.60  2.57    +/- 40%
A8H8         G7H1'    2.05    4.78    3.42    +/- 40%
A8H2  A8H1'  2.61  6.09  4.36    +/- 40%
A14H2  A6H2  3.02  7.06  5.04    +/- 40%
A14H8  A6H2  3.49  8.15  5.82    +/- 40%
A15H8  A14H1'  2.03  4.74  3.38    +/- 40%
A15H8  A14H2'  1.68    3.92  2.79    +/- 40%

SNOESY distance restraints from 150 ms 15 C spectrum

C3H41  G2H1  1.93  4.50  3.22    +/- 40%
U4H1'  G16H1  1.55  3.63  2.59    +/- 40%
G7H1  U11H3  2.67  6.23  4.45    +/- 40%
A8H2  G7H1  1.94  4.53  3.23    +/- 40%
A8H2  U11H3  1.74  4.06  2.90    +/- 40%
A8H1'  G7H1  1.79   4.18  2.98    +/- 40%
C12H41  U11H3  2.22  5.19  3.71    +/- 40%
C12H42  U11H3  2.39  5.58  3.98    +/- 40%
G13H1'  G7H1  1.74  4.05  2.89    +/- 40%
G16H1  G2H1  2.18  5.09  3.64    +/- 40%
C17H41  G16H1  2.14  5.01  3.57    +/- 40%
C18H1'  G2H1  2.13  4.99  3.56    +/- 40%

Dihedral angle restraints

Alpha    O3'-P-O5'-C5'; A-form -68
Atom 1  Atom 2  Atom 3  Atom 4  Lower Upper
G5'O3'   G2P       G2O5'    G2C5  -120 120
G2O3'  C3P      C3O5'    C3C5'    -120 120 
C3O3'   U4P          U4O5'    U4C5'    -120 120
G7O3'        A8P        A8O5'   A8C5'    -120 120 
A8O3'        C9P      C9O5'    C9C5'   -120 120 
G10O3'        U11P       U11O5'    U11C5'   -120 120
U11O3'          C12P       C12O5'    C12C5'   -120 120
C12O3'          G13P      G13O5'    G13C5'   -120 120
G16O3'          C17P       C17O5'    C17C5'          -120 120
C17O3'         C18P     C18O5'  C18C5'       -120  120

Beta      P-O5'-C5'-C4'; A-form 178
G2P      G2O5'  G2C5'   G2C4'      150 -150
C3P      C3O5'  C3C5'   C3C4'      150 -150
G7P      G7O5'  G7C5'   G7C4'      150 -150
A8P      A8O5'  A8C5'   A8C4'      150 -150
C9P      C9O5'  C9C5'   C9C4'         150 -150
U11P     U11O5'  U11C5'  U11C4'          150 -150
C12P     C12O5'  C12C5'  C12C4'  150 -150
G16P  G16O5'  G16C5'  G16C4'  150 -150
C17P     C17O5'  C17C5'  C17C4'  150 -150
C18P     C18O5'  C18C5'  C18C4'      150 -150

Gamma     O5'-C5'-C4'-C3'; A-form 54
G5'O5'         G5'C5'  G5'C4'  G5'C3'         30 90
G2O5'    G2C5'  G2C4'    G2C3'  30 90
C3O5'     C3C5'  C3C4'   C3C3'  30 90
G7O5'     G7C5'  G7C4'   G7C3'  30 90
A8O5'     A8C5'  A8C4'   A8C3'  30 90
C9O5'  C9C5'  C9C4'   C9C3'         30 90
G10O5'        G10C5'   G10C4'  G10C3'        30 90
U11O5'  U11C5'  U11C4'  U11C3'  30 90
C12O5'  C12C5'  C12C4'  C12C3'  30 90
G16O5'  G16C5'  G16C4'  G16C3'  30 90
C17O5'  C17C5'  C17C4'  C17C3'  30 90
C18O5'  C18C5'  C18C4'  C18C3'   30 90
    
Delta     C5'-C4'-C3'-O3'; A-form 82
G5'C5'     G5'C4'   G5'C3'    G5'O3'         55 115
G2C5'     G2C4'  G2C3'    G2O3'      55 115
C3C5'     C3C4'  C3C3'    C3O3'      55 115
U4C5'     U4C4'  U4C3'    U4O3'      55 115
A5C5'     A5C4'  A5C3'    A5O3'      55 190
A6C5'     A6C4'  A6C3'    A6O3'      55 115
G7C5'     G7C4'  G7C3'    G7O3'      55 115
A8C5'     A8C4'  A8C3'    A8O3'      55 115
C9C5'  C9C4'  C9C3'     C9O3'         55 190
G10C5'  G10C4'   G10C3'   G10O3'        55 115
U11C5'  U11C4'  U11C3'  U11O3'  55 115
C12C5'  C12C4'  C12C3'   C12O3'  55 115
G13C5'  G13C4'  G13C3'   G13O3'  55 190
A14C5'  A14C4'  A14C3'   A14O3'  55 115
A15C5'  A15C4'  A15C3'   A15O3'  55 115
G16C5'  G16C4'  G16C3'   G16O3'  55 115
C17C5'  C17C4'  C17C3'   C17O3'  55 115
C18C5'  C18C4'  C18C3'    C18O3'        55 190

Epsilon   C4'-C3'-O3'-P; A-form -153
G5'C4'     G5'C3'   G5'O3'   G2P             -180 -100
G2C4'     G2C3'  G2O3'    C3P  -180 -100
C3C4'     C3C3'  C3O3'    U4P      -180 -100
G7C4'     G7C3'  G7O3'    A8P  -180 -100
A8C4'     A8C3'  A8O3'    C9P           -180 -100
G10C4'  G10C3'   G10O3'   U11P            -180 -100
U11C4'   U11C3'  U11O3'  C12P      -180 -100
C12C4'  C12C3'  C12O3'   G13P      -180 -100
G16C4'  G16C3'  G16O3'   C17P      -180 -100
C17C4'  C17C3'  C17O3'   C18P  -180 -100

Zeta      C3'-O3'-P-O5'; A-form -71
G5'C3'     G5'O3'  G2P  G2O5'           -120 120
G2C3'     G2O3'  C3P  C3O5'  -120 120
C3C3'     C3O3'  U4P  U4O5'  -120 120
G7C3'     G7O3'  A8P  A8O5'  -120 120
A8C3'     A8O3'  C9P  C9O5'         -120 120
G10C3'  G10O3'   U11P  U11O5'          -120 120
U11C3'  U11O3'  C12P  C12O5'  -120 120
C12C3'  C12O3'  G13P  G13O5'  -120 120
G16C3'  G16O3'  C17P  C17O5'  -120 120
C17C3'  C17O3'  C18P  C18O5'  -120 120

Chi        Glycosidic torsions; A -form -158
G1O4'      G1C1'        G1N9    G1C4       150 -130
G2O4'      G2C1'       G2N9       G2C4    150 -130
C3O4'     C3C1'        C3N1       C3C2    150 -130
U4O4'      U4C1'        U4N1       U4C2    150 -30
A5O4'      A5C1'       A5N9       A5C4    150 -30
A6O4'      A6C1'        A6N9       A6C4    150 -30
G7O4'      G7C1'        G7N9       G7C4    150 -130
A8O4'      A8C1'        A8N9       A8C4    150 -130
C9O4'  C9C1'      C9N1       C9C2    150 -130
G10O4'  G10C1'   G10N9   G10C4      150 -130
U11O4'  U11C1'       U11N1    U11C2  150 -130
C12O4'  C12C1'        C12N1    C12C2  150 -130
G13O4'  G13C1'      G13N9    G13C4  150 -30
A14O4'  A14C1'       A14N9    A14C4  150 -30
A15O4'  A15C1'       A15N9    A15C4  150 -30
G16O4'  G16C1'       G16N9    G16C4  150 -130
C17O4'  C17C1'       C17N1    C17C2  150 -130
C18O4'  C18C1'    C18N1    C18C2  150 -130



Summary of NOE distance restraints.
 
Residue Total Intra residue Inter residue    
G1 9 3 6    
G2 16 4 12    
C3 16 5 11    
U4 16 8 8    
A5 16 7 9    
A6 18 7 11    
G7 18 3 15    
A8 25 6 19    
C9 18 7 11    
G10 8 1 7    
U11 21 6 15    
C12 20 5 15    
G13 19 9 10    
A14 26 11 15    
A15 19 5 14    
G16 19 2 17    
C17 16 5 11    
C18 9 3 6  

All restraints: 203
Intra residue: 97
Inter residue: 106

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   4.998  -8.329  -0.241
    2   2H5*    G   1          2H5*        G   1   5.634  -8.369   1.411
    3    H4*    G   1           H4*        G   1   7.277  -7.308   0.024
    4    H3*    G   1           H3*        G   1   5.766  -5.270   1.685
    5    H2*    G   1           H2*        G   1   7.358  -3.653   0.922
    6   2HO*    G   1          2HO*        G   1   9.117  -5.314   0.961
    7    H1*    G   1           H1*        G   1   7.163  -4.411  -1.690
    8    H8     G   1           H8         G   1   3.664  -5.011  -0.592
    9    H1     G   1           H1         G   1   5.052   1.268  -0.857
   10   1H2     G   1          2H2         G   1   7.277   1.536  -0.938
   11   2H2     G   1          1H2         G   1   8.356   0.142  -1.017
   12    H5T    G   1           H5T        G   1   4.287  -6.671   1.956
   13   1H5*    G   2          1H5*        G   2   9.732  -4.486   2.711
   14   2H5*    G   2          2H5*        G   2   9.862  -4.196   4.455
   15    H4*    G   2           H4*        G   2  10.677  -2.294   3.069
   16    H3*    G   2           H3*        G   2   8.281  -1.799   4.849
   17    H2*    G   2           H2*        G   2   8.462   0.523   4.219
   18   2HO*    G   2          2HO*        G   2  10.892   0.296   4.192
   19    H1*    G   2           H1*        G   2   8.818   0.038   1.566
   20    H8     G   2           H8         G   2   6.281  -2.533   2.634
   21    H1     G   2           H1         G   2   3.928   3.454   2.461
   22   1H2     G   2          2H2         G   2   5.655   4.919   2.465
   23   2H2     G   2          1H2         G   2   7.314   4.334   2.337
   24   1H5*    C   3          1H5*        C   3  11.073   1.418   5.698
   25   2H5*    C   3          2H5*        C   3  11.106   1.709   7.444
   26    H4*    C   3           H4*        C   3  10.523   3.733   6.082
   27    H3*    C   3           H3*        C   3   8.469   2.695   8.055
   28    H2*    C   3           H2*        C   3   7.215   4.683   7.548
   29   2HO*    C   3          2HO*        C   3   9.335   5.901   7.380
   30    H1*    C   3           H1*        C   3   7.642   4.584   4.845
   31   1H4     C   3          2H4         C   3   1.924   2.053   5.530
   32   2H4     C   3          1H4         C   3   2.618   0.437   5.591
   33    H5     C   3           H5         C   3   5.042   0.059   5.849
   34    H6     C   3           H6         C   3   7.195   1.148   5.871
   35   1H5*    U   4          1H5*        U   4   8.381   6.739   9.059
   36   2H5*    U   4          2H5*        U   4   8.295   6.897  10.822
   37    H4*    U   4           H4*        U   4   6.294   7.830   9.707
   38    H3*    U   4           H3*        U   4   5.813   5.360  11.393
   39    H2*    U   4           H2*        U   4   3.456   5.754  11.015
   40   2HO*    U   4          2HO*        U   4   3.779   8.130  11.111
   41    H1*    U   4           H1*        U   4   3.743   6.248   8.342
   42    H3     U   4           H3         U   4   1.660   2.188   8.775
   43    H5     U   4           H5         U   4   5.739   1.339   9.275
   44    H6     U   4           H6         U   4   6.197   3.705   9.279
   45   1H5*    A   5          1H5*        A   5   2.999   8.449  12.729
   46   2H5*    A   5          2H5*        A   5   2.729   8.274  14.469
   47    H4*    A   5           H4*        A   5   0.640   8.087  13.128
   48    H3*    A   5           H3*        A   5   1.481   5.591  14.629
   49    H2*    A   5           H2*        A   5  -0.689   4.711  14.025
   50   2HO*    A   5          2HO*        A   5  -1.855   6.716  14.265
   51    H1*    A   5           H1*        A   5  -0.466   5.481  11.402
   52    H8     A   5           H8         A   5   2.968   4.457  12.805
   53   1H6     A   5          1H6         A   5   1.214  -1.374  11.575
   54   2H6     A   5          2H6         A   5   2.586  -0.363  12.020
   55    H2     A   5           H2         A   5  -2.251   1.224  10.866
   56   1H5*    A   6          1H5*        A   6  -2.006   8.541  15.623
   57   2H5*    A   6          2H5*        A   6  -2.509   8.329  17.312
   58    H4*    A   6           H4*        A   6  -4.383   8.876  15.730
   59    H3*    A   6           H3*        A   6  -4.494   6.228  17.202
   60    H2*    A   6           H2*        A   6  -6.713   6.011  16.281
   61   2HO*    A   6          2HO*        A   6  -7.000   8.427  16.568
   62    H1*    A   6           H1*        A   6  -6.016   6.851  13.761
   63    H8     A   6           H8         A   6  -3.157   4.663  14.857
   64   1H6     A   6          1H6         A   6  -6.878  -0.108  13.333
   65   2H6     A   6          2H6         A   6  -5.222   0.291  13.777
   66    H2     A   6           H2         A   6  -9.334   3.516  13.464
   67   1H5*    G   7          1H5*        G   7  -8.308   7.145  17.992
   68   2H5*    G   7          2H5*        G   7  -8.670   6.793  19.693
   69    H4*    G   7           H4*        G   7  -9.961   5.355  18.158
   70    H3*    G   7           H3*        G   7  -7.895   3.927  19.849
   71    H2*    G   7           H2*        G   7  -8.789   1.860  18.941
   72   2HO*    G   7          2HO*        G   7 -11.012   2.909  18.891
   73    H1*    G   7           H1*        G   7  -8.775   2.714  16.368
   74    H8     G   7           H8         G   7  -5.732   4.384  17.863
   75    H1     G   7           H1         G   7  -4.945  -1.934  16.968
   76   1H2     G   7          2H2         G   7  -6.917  -2.886  16.579
   77   2H2     G   7          1H2         G   7  -8.384  -1.916  16.423
   78   1H5*    A   8          1H5*        A   8 -11.467   1.643  20.219
   79   2H5*    A   8          2H5*        A   8 -11.705   1.125  21.893
   80    H4*    A   8           H4*        A   8 -11.616  -0.753  20.224
   81    H3*    A   8           H3*        A   8  -9.565  -0.650  22.445
   82    H2*    A   8           H2*        A   8  -8.838  -2.837  21.693
   83   2HO*    A   8          2HO*        A   8 -11.191  -3.337  21.172
   84    H1*    A   8           H1*        A   8  -8.855  -2.196  19.032
   85    H8     A   8           H8         A   8  -7.543   0.960  20.564
   86   1H6     A   8          1H6         A   8  -2.022  -1.930  20.348
   87   2H6     A   8          2H6         A   8  -2.820  -0.367  20.465
   88    H2     A   8           H2         A   8  -5.187  -4.996  19.973
   89   1H5*    C   9          1H5*        C   9 -11.222  -4.600  22.732
   90   2H5*    C   9          2H5*        C   9 -11.574  -4.954  24.436
   91    H4*    C   9           H4*        C   9 -10.019  -6.622  23.511
   92    H3*    C   9           H3*        C   9  -8.774  -4.705  25.517
   93    H2*    C   9           H2*        C   9  -6.816  -6.074  25.437
   94   2HO*    C   9          2HO*        C   9  -8.352  -8.034  25.175
   95    H1*    C   9           H1*        C   9  -6.908  -6.387  22.684
   96   1H4     C   9          2H4         C   9  -2.785  -1.709  23.528
   97   2H4     C   9          1H4         C   9  -4.052  -0.492  23.702
   98    H5     C   9           H5         C   9  -6.446  -1.143  23.829
   99    H6     C   9           H6         C   9  -7.968  -3.007  23.697
  100    H3T    C   9           H3T        C   9  -9.284  -6.298  26.950
  101   1H5*    G  10          1H5*        G  10   6.794  -5.606  21.834
  102   2H5*    G  10          2H5*        G  10   6.854  -6.910  20.640
  103    H4*    G  10           H4*        G  10   5.756  -7.918  22.417
  104    H3*    G  10           H3*        G  10   3.575  -6.807  20.618
  105    H2*    G  10           H2*        G  10   1.989  -7.854  21.987
  106   2HO*    G  10          2HO*        G  10   3.485  -9.735  22.318
  107    H1*    G  10           H1*        G  10   3.124  -7.023  24.322
  108    H8     G  10           H8         G  10   3.924  -3.943  22.634
  109    H1     G  10           H1         G  10  -2.443  -4.541  23.337
  110   1H2     G  10          2H2         G  10  -2.966  -6.709  23.524
  111   2H2     G  10          1H2         G  10  -1.712  -7.944  23.644
  112    H5T    G  10           H5T        G  10   5.209  -5.988  19.503
  113   1H5*    U  11          1H5*        U  11   2.550 -10.616  19.874
  114   2H5*    U  11          2H5*        U  11   2.285 -10.874  18.142
  115    H4*    U  11           H4*        U  11   0.199 -11.064  19.421
  116    H3*    U  11           H3*        U  11   0.358  -8.648  17.603
  117    H2*    U  11           H2*        U  11  -1.956  -8.265  18.176
  118   2HO*    U  11          2HO*        U  11  -2.372 -10.636  18.207
  119    H1*    U  11           H1*        U  11  -1.637  -8.689  20.831
  120    H3     U  11           H3         U  11  -2.391  -4.237  20.052
  121    H5     U  11           H5         U  11   1.767  -4.733  19.667
  122    H6     U  11           H6         U  11   1.447  -7.126  19.805
  123   1H5*    C  12          1H5*        C  12  -3.381 -10.707  16.626
  124   2H5*    C  12          2H5*        C  12  -3.680 -10.559  14.887
  125    H4*    C  12           H4*        C  12  -5.498  -9.625  16.373
  126    H3*    C  12           H3*        C  12  -4.115  -7.799  14.394
  127    H2*    C  12           H2*        C  12  -5.705  -6.110  15.037
  128   2HO*    C  12          2HO*        C  12  -7.387  -7.899  15.217
  129    H1*    C  12           H1*        C  12  -5.622  -6.672  17.733
  130   1H4     C  12          2H4         C  12  -2.001  -1.630  17.097
  131   2H4     C  12          1H4         C  12  -0.529  -2.596  16.950
  132    H5     C  12           H5         C  12  -0.671  -5.081  16.629
  133    H6     C  12           H6         C  12  -2.200  -6.954  16.606
  134   1H5*    G  13          1H5*        G  13  -7.966  -6.481  13.697
  135   2H5*    G  13          2H5*        G  13  -8.204  -6.430  11.943
  136    H4*    G  13           H4*        G  13  -8.438  -4.198  12.882
  137    H3*    G  13           H3*        G  13  -5.951  -4.605  11.210
  138    H2*    G  13           H2*        G  13  -5.558  -2.257  11.387
  139   2HO*    G  13          2HO*        G  13  -7.833  -1.668  11.166
  140    H1*    G  13           H1*        G  13  -6.106  -2.128  14.084
  141    H8     G  13           H8         G  13  -4.376  -5.396  13.045
  142    H1     G  13           H1         G  13  -0.303  -0.548  14.107
  143   1H2     G  13          1H2         G  13  -1.425   1.326  14.516
  144   2H2     G  13          2H2         G  13  -3.164   1.398  14.450
  145   1H5*    A  14          1H5*        A  14  -7.789  -1.158   7.261
  146   2H5*    A  14          2H5*        A  14  -6.638  -0.642   8.517
  147    H4*    A  14           H4*        A  14  -9.611   0.069   8.422
  148    H3*    A  14           H3*        A  14  -7.108   1.566   7.618
  149    H2*    A  14           H2*        A  14  -8.088   3.601   8.436
  150   2HO*    A  14          2HO*        A  14 -10.276   2.756   7.683
  151    H1*    A  14           H1*        A  14  -8.911   2.552  10.805
  152    H8     A  14           H8         A  14  -5.823   0.546  10.399
  153   1H6     A  14          1H6         A  14  -2.688   5.721  11.857
  154   2H6     A  14          2H6         A  14  -2.518   3.989  11.568
  155    H2     A  14           H2         A  14  -6.822   6.872  10.874
  156   1H5*    A  15          1H5*        A  15  -9.514   4.545   6.366
  157   2H5*    A  15          2H5*        A  15  -9.089   4.950   4.692
  158    H4*    A  15           H4*        A  15  -8.801   6.880   6.175
  159    H3*    A  15           H3*        A  15  -6.252   5.734   5.012
  160    H2*    A  15           H2*        A  15  -5.102   7.614   6.006
  161   2HO*    A  15          2HO*        A  15  -7.088   8.987   5.546
  162    H1*    A  15           H1*        A  15  -6.314   7.398   8.429
  163    H8     A  15           H8         A  15  -6.010   3.832   7.405
  164   1H6     A  15          1H6         A  15   0.061   4.300   8.673
  165   2H6     A  15          2H6         A  15  -1.231   3.160   8.256
  166    H2     A  15           H2         A  15  -1.662   8.324   8.886
  167   1H5*    G  16          1H5*        G  16  -5.703   9.828   4.332
  168   2H5*    G  16          2H5*        G  16  -5.108  10.075   2.683
  169    H4*    G  16           H4*        G  16  -3.582  10.971   4.438
  170    H3*    G  16           H3*        G  16  -2.559   8.754   2.653
  171    H2*    G  16           H2*        G  16  -0.396   9.103   3.679
  172   2HO*    G  16          2HO*        G  16  -0.922  11.501   3.789
  173    H1*    G  16           H1*        G  16  -1.356   9.235   6.234
  174    H8     G  16           H8         G  16  -3.508   6.575   4.697
  175    H1     G  16           H1         G  16   2.528   4.588   5.717
  176   1H2     G  16          2H2         G  16   3.878   6.371   5.897
  177   2H2     G  16          1H2         G  16   3.200   7.996   6.009
  178   1H5*    C  17          1H5*        C  17   0.455  11.778   2.436
  179   2H5*    C  17          2H5*        C  17   0.962  11.980   0.750
  180    H4*    C  17           H4*        C  17   2.849  11.398   2.263
  181    H3*    C  17           H3*        C  17   2.108   9.394   0.117
  182    H2*    C  17           H2*        C  17   4.099   8.184   0.749
  183   2HO*    C  17          2HO*        C  17   5.185  10.353   1.154
  184    H1*    C  17           H1*        C  17   3.689   8.474   3.454
  185   1H4     C  17          2H4         C  17   1.384   2.744   2.269
  186   2H4     C  17          1H4         C  17  -0.231   3.395   2.003
  187    H5     C  17           H5         C  17  -0.623   5.834   1.761
  188    H6     C  17           H6         C  17   0.415   8.004   1.946
  189   1H5*    C  18          1H5*        C  18   6.420  10.045  -0.335
  190   2H5*    C  18          2H5*        C  18   6.709  10.307  -2.063
  191    H4*    C  18           H4*        C  18   8.132   8.493  -1.246
  192    H3*    C  18           H3*        C  18   5.852   7.544  -3.032
  193    H2*    C  18           H2*        C  18   6.929   5.418  -3.030
  194   2HO*    C  18          2HO*        C  18   9.091   6.544  -3.104
  195    H1*    C  18           H1*        C  18   7.541   5.520  -0.315
  196   1H4     C  18          2H4         C  18   2.344   1.977  -0.684
  197   2H4     C  18          1H4         C  18   1.280   3.382  -0.725
  198    H5     C  18           H5         C  18   2.199   5.685  -0.969
  199    H6     C  18           H6         C  18   4.244   6.972  -1.062
  200    H3T    C  18           H3T        C  18   7.297   8.969  -4.043
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   5.788  -8.456  -0.059
    2   2H5*    G   1          2H5*        G   1   6.415  -8.408   1.596
    3    H4*    G   1           H4*        G   1   7.971  -7.240   0.197
    4    H3*    G   1           H3*        G   1   6.279  -5.301   1.801
    5    H2*    G   1           H2*        G   1   7.738  -3.574   1.013
    6   2HO*    G   1          2HO*        G   1   9.631  -5.072   1.105
    7    H1*    G   1           H1*        G   1   7.632  -4.405  -1.582
    8    H8     G   1           H8         G   1   4.186  -5.260  -0.467
    9    H1     G   1           H1         G   1   5.056   1.099  -0.940
   10   1H2     G   1          2H2         G   1   7.251   1.546  -1.034
   11   2H2     G   1          1H2         G   1   8.441   0.243  -1.069
   12    H5T    G   1           H5T        G   1   4.925  -6.819   2.098
   13   1H5*    G   2          1H5*        G   2  10.180  -4.197   2.854
   14   2H5*    G   2          2H5*        G   2  10.259  -3.835   4.587
   15    H4*    G   2           H4*        G   2  10.952  -1.930   3.137
   16    H3*    G   2           H3*        G   2   8.502  -1.545   4.870
   17    H2*    G   2           H2*        G   2   8.530   0.761   4.154
   18   2HO*    G   2          2HO*        G   2  10.966   0.713   4.160
   19    H1*    G   2           H1*        G   2   8.942   0.197   1.525
   20    H8     G   2           H8         G   2   6.590  -2.508   2.696
   21    H1     G   2           H1         G   2   3.810   3.280   2.289
   22   1H2     G   2          2H2         G   2   5.431   4.866   2.212
   23   2H2     G   2          1H2         G   2   7.127   4.393   2.103
   24   1H5*    C   3          1H5*        C   3  11.070   1.882   5.641
   25   2H5*    C   3          2H5*        C   3  11.043   2.252   7.372
   26    H4*    C   3           H4*        C   3  10.362   4.169   5.904
   27    H3*    C   3           H3*        C   3   8.327   3.096   7.877
   28    H2*    C   3           H2*        C   3   6.976   4.987   7.249
   29   2HO*    C   3          2HO*        C   3   9.001   6.332   7.065
   30    H1*    C   3           H1*        C   3   7.452   4.759   4.563
   31   1H4     C   3          2H4         C   3   1.901   1.901   5.430
   32   2H4     C   3          1H4         C   3   2.699   0.337   5.561
   33    H5     C   3           H5         C   3   5.146   0.133   5.821
   34    H6     C   3           H6         C   3   7.221   1.361   5.772
   35   1H5*    U   4          1H5*        U   4   7.788   7.074   8.709
   36   2H5*    U   4          2H5*        U   4   7.678   7.295  10.465
   37    H4*    U   4           H4*        U   4   5.569   7.919   9.339
   38    H3*    U   4           H3*        U   4   5.363   5.349  10.917
   39    H2*    U   4           H2*        U   4   2.987   5.550  10.677
   40   2HO*    U   4          2HO*        U   4   2.826   7.902  10.654
   41    H1*    U   4           H1*        U   4   3.256   5.953   7.995
   42    H3     U   4           H3         U   4   1.720   1.685   8.767
   43    H5     U   4           H5         U   4   5.891   1.409   9.137
   44    H6     U   4           H6         U   4   6.031   3.809   8.974
   45   1H5*    A   5          1H5*        A   5   2.535   8.100  14.370
   46   2H5*    A   5          2H5*        A   5   3.064   6.626  13.536
   47    H4*    A   5           H4*        A   5   0.455   8.108  12.973
   48    H3*    A   5           H3*        A   5   1.117   5.605  14.553
   49    H2*    A   5           H2*        A   5  -1.025   4.727  13.922
   50   2HO*    A   5          2HO*        A   5  -2.188   6.749  14.067
   51    H1*    A   5           H1*        A   5  -0.739   5.398  11.281
   52    H8     A   5           H8         A   5   2.677   4.510  12.747
   53   1H6     A   5          1H6         A   5   1.192  -1.379  11.429
   54   2H6     A   5          2H6         A   5   2.523  -0.316  11.873
   55    H2     A   5           H2         A   5  -2.404   1.060  10.829
   56   1H5*    A   6          1H5*        A   6  -2.389   8.572  15.382
   57   2H5*    A   6          2H5*        A   6  -2.893   8.421  17.077
   58    H4*    A   6           H4*        A   6  -4.776   8.865  15.476
   59    H3*    A   6           H3*        A   6  -4.821   6.282  17.060
   60    H2*    A   6           H2*        A   6  -7.028   5.951  16.145
   61   2HO*    A   6          2HO*        A   6  -7.391   8.368  16.318
   62    H1*    A   6           H1*        A   6  -6.353   6.683  13.590
   63    H8     A   6           H8         A   6  -3.401   4.685  14.777
   64   1H6     A   6          1H6         A   6  -6.895  -0.321  13.507
   65   2H6     A   6          2H6         A   6  -5.256   0.182  13.911
   66    H2     A   6           H2         A   6  -9.527   3.183  13.505
   67   1H5*    G   7          1H5*        G   7  -8.638   7.064  17.836
   68   2H5*    G   7          2H5*        G   7  -8.975   6.783  19.555
   69    H4*    G   7           H4*        G   7 -10.197   5.201  18.110
   70    H3*    G   7           H3*        G   7  -8.043   3.970  19.846
   71    H2*    G   7           H2*        G   7  -8.831   1.817  19.048
   72   2HO*    G   7          2HO*        G   7 -11.108   2.737  18.975
   73    H1*    G   7           H1*        G   7  -8.888   2.544  16.437
   74    H8     G   7           H8         G   7  -5.926   4.436  17.836
   75    H1     G   7           H1         G   7  -4.807  -1.859  17.165
   76   1H2     G   7          2H2         G   7  -6.729  -2.929  16.834
   77   2H2     G   7          1H2         G   7  -8.248  -2.045  16.656
   78   1H5*    A   8          1H5*        A   8 -11.501   1.528  20.374
   79   2H5*    A   8          2H5*        A   8 -11.680   1.058  22.069
   80    H4*    A   8           H4*        A   8 -11.518  -0.869  20.458
   81    H3*    A   8           H3*        A   8  -9.443  -0.589  22.641
   82    H2*    A   8           H2*        A   8  -8.611  -2.755  21.941
   83   2HO*    A   8          2HO*        A   8 -10.940  -3.396  21.469
   84    H1*    A   8           H1*        A   8  -8.692  -2.193  19.264
   85    H8     A   8           H8         A   8  -7.541   1.073  20.694
   86   1H6     A   8          1H6         A   8  -1.874  -1.521  20.544
   87   2H6     A   8          2H6         A   8  -2.754  -0.001  20.622
   88    H2     A   8           H2         A   8  -4.869  -4.762  20.265
   89   1H5*    C   9          1H5*        C   9 -10.903  -4.602  23.059
   90   2H5*    C   9          2H5*        C   9 -11.170  -4.960  24.777
   91    H4*    C   9           H4*        C   9  -9.546  -6.535  23.755
   92    H3*    C   9           H3*        C   9  -8.413  -4.611  25.819
   93    H2*    C   9           H2*        C   9  -6.359  -5.796  25.666
   94   2HO*    C   9          2HO*        C   9  -6.217  -7.754  24.461
   95    H1*    C   9           H1*        C   9  -6.475  -6.068  22.894
   96   1H4     C   9          2H4         C   9  -2.594  -1.215  23.736
   97   2H4     C   9          1H4         C   9  -3.924  -0.064  23.889
   98    H5     C   9           H5         C   9  -6.279  -0.833  24.039
   99    H6     C   9           H6         C   9  -7.705  -2.774  23.937
  100    H3T    C   9           H3T        C   9  -8.765  -7.382  26.054
  101   1H5*    G  10          1H5*        G  10   7.159  -4.644  22.077
  102   2H5*    G  10          2H5*        G  10   7.274  -5.999  20.945
  103    H4*    G  10           H4*        G  10   6.257  -6.979  22.784
  104    H3*    G  10           H3*        G  10   3.995  -6.074  20.971
  105    H2*    G  10           H2*        G  10   2.486  -7.137  22.413
  106   2HO*    G  10          2HO*        G  10   4.090  -8.915  22.811
  107    H1*    G  10           H1*        G  10   3.602  -6.131  24.687
  108    H8     G  10           H8         G  10   4.225  -3.099  22.854
  109    H1     G  10           H1         G  10  -2.097  -3.991  23.632
  110   1H2     G  10          2H2         G  10  -2.507  -6.173  23.906
  111   2H2     G  10          1H2         G  10  -1.189  -7.334  24.081
  112    H5T    G  10           H5T        G  10   5.565  -5.223  19.793
  113   1H5*    U  11          1H5*        U  11   3.159  -9.959  20.434
  114   2H5*    U  11          2H5*        U  11   2.898 -10.321  18.719
  115    H4*    U  11           H4*        U  11   0.833 -10.560  20.023
  116    H3*    U  11           H3*        U  11   0.850  -8.233  18.087
  117    H2*    U  11           H2*        U  11  -1.477  -7.946  18.660
  118   2HO*    U  11          2HO*        U  11  -1.763 -10.333  18.810
  119    H1*    U  11           H1*        U  11  -1.123  -8.222  21.330
  120    H3     U  11           H3         U  11  -2.122  -3.860  20.341
  121    H5     U  11           H5         U  11   2.054  -4.148  19.953
  122    H6     U  11           H6         U  11   1.866  -6.546  20.208
  123   1H5*    C  12          1H5*        C  12  -2.774 -10.540  17.236
  124   2H5*    C  12          2H5*        C  12  -3.087 -10.494  15.494
  125    H4*    C  12           H4*        C  12  -4.948  -9.588  16.942
  126    H3*    C  12           H3*        C  12  -3.674  -7.789  14.868
  127    H2*    C  12           H2*        C  12  -5.352  -6.161  15.437
  128   2HO*    C  12          2HO*        C  12  -6.935  -8.023  15.717
  129    H1*    C  12           H1*        C  12  -5.225  -6.579  18.156
  130   1H4     C  12          2H4         C  12  -1.881  -1.392  17.261
  131   2H4     C  12          1H4         C  12  -0.359  -2.285  17.156
  132    H5     C  12           H5         C  12  -0.370  -4.786  16.954
  133    H6     C  12           H6         C  12  -1.796  -6.737  17.026
  134   1H5*    G  13          1H5*        G  13  -7.598  -6.720  14.136
  135   2H5*    G  13          2H5*        G  13  -7.847  -6.765  12.384
  136    H4*    G  13           H4*        G  13  -8.202  -4.508  13.224
  137    H3*    G  13           H3*        G  13  -5.710  -4.849  11.545
  138    H2*    G  13           H2*        G  13  -5.452  -2.477  11.612
  139   2HO*    G  13          2HO*        G  13  -7.760  -2.029  11.393
  140    H1*    G  13           H1*        G  13  -5.979  -2.256  14.305
  141    H8     G  13           H8         G  13  -4.080  -5.470  13.401
  142    H1     G  13           H1         G  13  -0.270  -0.369  14.223
  143   1H2     G  13          1H2         G  13  -1.490   1.463  14.538
  144   2H2     G  13          2H2         G  13  -3.232   1.437  14.475
  145   1H5*    A  14          1H5*        A  14  -7.820  -1.678   7.482
  146   2H5*    A  14          2H5*        A  14  -6.678  -1.046   8.693
  147    H4*    A  14           H4*        A  14  -9.690  -0.519   8.636
  148    H3*    A  14           H3*        A  14  -7.298   1.087   7.721
  149    H2*    A  14           H2*        A  14  -8.360   3.095   8.499
  150   2HO*    A  14          2HO*        A  14 -10.518   2.112   7.829
  151    H1*    A  14           H1*        A  14  -9.076   2.089  10.921
  152    H8     A  14           H8         A  14  -5.909   0.220  10.550
  153   1H6     A  14          1H6         A  14  -2.988   5.596  11.693
  154   2H6     A  14          2H6         A  14  -2.747   3.859  11.493
  155    H2     A  14           H2         A  14  -7.185   6.510  10.724
  156   1H5*    A  15          1H5*        A  15  -9.795   3.928   6.447
  157   2H5*    A  15          2H5*        A  15  -9.440   4.274   4.744
  158    H4*    A  15           H4*        A  15  -9.128   6.269   6.123
  159    H3*    A  15           H3*        A  15  -6.598   5.100   4.944
  160    H2*    A  15           H2*        A  15  -5.439   7.031   5.823
  161   2HO*    A  15          2HO*        A  15  -7.447   8.368   5.361
  162    H1*    A  15           H1*        A  15  -6.573   6.909   8.286
  163    H8     A  15           H8         A  15  -6.304   3.307   7.418
  164   1H6     A  15          1H6         A  15  -0.195   3.796   8.458
  165   2H6     A  15          2H6         A  15  -1.502   2.652   8.115
  166    H2     A  15           H2         A  15  -1.898   7.839   8.567
  167   1H5*    G  16          1H5*        G  16  -6.204   9.200   4.055
  168   2H5*    G  16          2H5*        G  16  -5.645   9.388   2.387
  169    H4*    G  16           H4*        G  16  -4.136  10.434   4.077
  170    H3*    G  16           H3*        G  16  -3.040   8.187   2.374
  171    H2*    G  16           H2*        G  16  -0.877   8.699   3.335
  172   2HO*    G  16          2HO*        G  16  -1.519  11.067   3.343
  173    H1*    G  16           H1*        G  16  -1.802   8.901   5.901
  174    H8     G  16           H8         G  16  -3.819   6.053   4.519
  175    H1     G  16           H1         G  16   2.343   4.473   5.509
  176   1H2     G  16          2H2         G  16   3.584   6.347   5.602
  177   2H2     G  16          1H2         G  16   2.806   7.927   5.669
  178   1H5*    C  17          1H5*        C  17  -0.205  11.374   1.949
  179   2H5*    C  17          2H5*        C  17   0.249  11.525   0.243
  180    H4*    C  17           H4*        C  17   2.206  11.147   1.730
  181    H3*    C  17           H3*        C  17   1.550   8.989  -0.292
  182    H2*    C  17           H2*        C  17   3.635   7.954   0.342
  183   2HO*    C  17          2HO*        C  17   4.598  10.188   0.592
  184    H1*    C  17           H1*        C  17   3.273   8.354   3.040
  185   1H4     C  17          2H4         C  17   1.355   2.420   2.161
  186   2H4     C  17          1H4         C  17  -0.306   2.947   1.909
  187    H5     C  17           H5         C  17  -0.878   5.338   1.586
  188    H6     C  17           H6         C  17   0.005   7.583   1.652
  189   1H5*    C  18          1H5*        C  18   5.796  10.038  -0.930
  190   2H5*    C  18          2H5*        C  18   6.040  10.144  -2.684
  191    H4*    C  18           H4*        C  18   7.621   8.548  -1.628
  192    H3*    C  18           H3*        C  18   5.535   7.363  -3.498
  193    H2*    C  18           H2*        C  18   6.648   5.280  -3.272
  194   2HO*    C  18          2HO*        C  18   8.699   5.124  -2.264
  195    H1*    C  18           H1*        C  18   7.204   5.606  -0.539
  196   1H4     C  18          2H4         C  18   2.353   1.604  -0.774
  197   2H4     C  18          1H4         C  18   1.179   2.914  -0.882
  198    H5     C  18           H5         C  18   1.898   5.265  -1.255
  199    H6     C  18           H6         C  18   3.825   6.717  -1.422
  200    H3T    C  18           H3T        C  18   8.292   7.592  -3.929
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   5.856  -8.564   0.952
    2   2H5*    G   1          2H5*        G   1   6.494  -8.402   2.596
    3    H4*    G   1           H4*        G   1   8.037  -7.326   1.110
    4    H3*    G   1           H3*        G   1   6.349  -5.288   2.590
    5    H2*    G   1           H2*        G   1   7.797  -3.615   1.678
    6   2HO*    G   1          2HO*        G   1   9.697  -5.092   1.863
    7    H1*    G   1           H1*        G   1   7.682  -4.624  -0.854
    8    H8     G   1           H8         G   1   4.244  -5.398   0.350
    9    H1     G   1           H1         G   1   5.101   0.907  -0.615
   10   1H2     G   1          2H2         G   1   7.294   1.347  -0.764
   11   2H2     G   1          1H2         G   1   8.486   0.046  -0.707
   12    H5T    G   1           H5T        G   1   5.002  -6.788   3.001
   13   1H5*    G   2          1H5*        G   2  10.263  -4.119   3.559
   14   2H5*    G   2          2H5*        G   2  10.341  -3.628   5.260
   15    H4*    G   2           H4*        G   2  11.033  -1.838   3.669
   16    H3*    G   2           H3*        G   2   8.583  -1.320   5.368
   17    H2*    G   2           H2*        G   2   8.616   0.925   4.475
   18   2HO*    G   2          2HO*        G   2  11.049   0.878   4.485
   19    H1*    G   2           H1*        G   2   9.021   0.156   1.897
   20    H8     G   2           H8         G   2   6.667  -2.445   3.293
   21    H1     G   2           H1         G   2   3.896   3.299   2.456
   22   1H2     G   2          2H2         G   2   5.522   4.869   2.228
   23   2H2     G   2          1H2         G   2   7.215   4.382   2.132
   24   1H5*    C   3          1H5*        C   3  11.172   2.142   5.890
   25   2H5*    C   3          2H5*        C   3  11.129   2.657   7.584
   26    H4*    C   3           H4*        C   3  10.469   4.441   5.941
   27    H3*    C   3           H3*        C   3   8.412   3.561   7.987
   28    H2*    C   3           H2*        C   3   7.083   5.404   7.175
   29   2HO*    C   3          2HO*        C   3   9.119   6.706   6.871
   30    H1*    C   3           H1*        C   3   7.554   4.902   4.532
   31   1H4     C   3          2H4         C   3   2.004   2.159   5.712
   32   2H4     C   3          1H4         C   3   2.800   0.608   5.951
   33    H5     C   3           H5         C   3   5.249   0.421   6.227
   34    H6     C   3           H6         C   3   7.325   1.634   6.051
   35   1H5*    U   4          1H5*        U   4   7.742   7.510   8.413
   36   2H5*    U   4          2H5*        U   4   7.629   7.923  10.133
   37    H4*    U   4           H4*        U   4   5.490   8.319   8.956
   38    H3*    U   4           H3*        U   4   5.418   5.959  10.844
   39    H2*    U   4           H2*        U   4   3.032   6.013  10.621
   40   2HO*    U   4          2HO*        U   4   2.757   8.336  10.308
   41    H1*    U   4           H1*        U   4   3.251   6.096   7.905
   42    H3     U   4           H3         U   4   1.958   1.878   9.208
   43    H5     U   4           H5         U   4   6.150   1.847   9.417
   44    H6     U   4           H6         U   4   6.153   4.222   9.002
   45   1H5*    A   5          1H5*        A   5   2.538   9.008  13.954
   46   2H5*    A   5          2H5*        A   5   3.082   7.459  13.284
   47    H4*    A   5           H4*        A   5   0.419   8.800  12.628
   48    H3*    A   5           H3*        A   5   1.211   6.556  14.508
   49    H2*    A   5           H2*        A   5  -0.913   5.533  14.096
   50   2HO*    A   5          2HO*        A   5  -2.136   7.525  14.031
   51    H1*    A   5           H1*        A   5  -0.781   5.871  11.381
   52    H8     A   5           H8         A   5   2.714   5.236  12.855
   53   1H6     A   5          1H6         A   5   1.414  -0.777  11.930
   54   2H6     A   5          2H6         A   5   2.709   0.351  12.318
   55    H2     A   5           H2         A   5  -2.250   1.502  11.170
   56   1H5*    A   6          1H5*        A   6  -3.274   7.606  17.692
   57   2H5*    A   6          2H5*        A   6  -3.120   6.143  16.691
   58    H4*    A   6           H4*        A   6  -4.718   8.641  15.945
   59    H3*    A   6           H3*        A   6  -5.501   5.961  17.101
   60    H2*    A   6           H2*        A   6  -7.535   6.035  15.838
   61   2HO*    A   6          2HO*        A   6  -7.568   8.470  16.140
   62    H1*    A   6           H1*        A   6  -6.316   6.688  13.505
   63    H8     A   6           H8         A   6  -3.532   4.677  14.711
   64   1H6     A   6          1H6         A   6  -6.959  -0.356  13.420
   65   2H6     A   6          2H6         A   6  -5.335   0.167  13.851
   66    H2     A   6           H2         A   6  -9.649   3.110  13.471
   67   1H5*    G   7          1H5*        G   7  -8.814   6.724  17.977
   68   2H5*    G   7          2H5*        G   7  -9.242   6.335  19.655
   69    H4*    G   7           H4*        G   7 -10.252   4.769  18.016
   70    H3*    G   7           H3*        G   7  -8.173   3.552  19.856
   71    H2*    G   7           H2*        G   7  -8.839   1.417  18.904
   72   2HO*    G   7          2HO*        G   7 -11.134   2.259  18.725
   73    H1*    G   7           H1*        G   7  -8.764   2.308  16.332
   74    H8     G   7           H8         G   7  -5.920   4.124  18.021
   75    H1     G   7           H1         G   7  -4.701  -2.116  17.056
   76   1H2     G   7          2H2         G   7  -6.605  -3.185  16.624
   77   2H2     G   7          1H2         G   7  -8.123  -2.302  16.432
   78   1H5*    A   8          1H5*        A   8 -11.581   0.998  20.038
   79   2H5*    A   8          2H5*        A   8 -11.868   0.456  21.697
   80    H4*    A   8           H4*        A   8 -11.563  -1.403  20.034
   81    H3*    A   8           H3*        A   8  -9.632  -1.167  22.352
   82    H2*    A   8           H2*        A   8  -8.720  -3.297  21.631
   83   2HO*    A   8          2HO*        A   8 -11.016  -3.941  20.991
   84    H1*    A   8           H1*        A   8  -8.661  -2.645  18.973
   85    H8     A   8           H8         A   8  -7.635   0.581  20.583
   86   1H6     A   8          1H6         A   8  -1.923  -1.920  20.516
   87   2H6     A   8          2H6         A   8  -2.829  -0.417  20.625
   88    H2     A   8           H2         A   8  -4.854  -5.191  20.014
   89   1H5*    C   9          1H5*        C   9 -10.993  -5.208  22.540
   90   2H5*    C   9          2H5*        C   9 -11.421  -5.603  24.216
   91    H4*    C   9           H4*        C   9  -9.698  -7.150  23.405
   92    H3*    C   9           H3*        C   9  -8.658  -5.125  25.432
   93    H2*    C   9           H2*        C   9  -6.630  -6.375  25.449
   94   2HO*    C   9          2HO*        C   9  -7.935  -8.429  25.252
   95    H1*    C   9           H1*        C   9  -6.595  -6.719  22.695
   96   1H4     C   9          2H4         C   9  -2.818  -1.774  23.658
   97   2H4     C   9          1H4         C   9  -4.167  -0.645  23.808
   98    H5     C   9           H5         C   9  -6.516  -1.453  23.859
   99    H6     C   9           H6         C   9  -7.907  -3.413  23.670
  100    H3T    C   9           H3T        C   9 -10.256  -6.528  26.226
  101   1H5*    G  10          1H5*        G  10   7.047  -4.989  22.202
  102   2H5*    G  10          2H5*        G  10   7.236  -6.273  21.000
  103    H4*    G  10           H4*        G  10   6.154  -7.373  22.732
  104    H3*    G  10           H3*        G  10   3.961  -6.399  20.872
  105    H2*    G  10           H2*        G  10   2.408  -7.567  22.181
  106   2HO*    G  10          2HO*        G  10   4.017  -9.344  22.547
  107    H1*    G  10           H1*        G  10   3.405  -6.680  24.556
  108    H8     G  10           H8         G  10   4.046  -3.540  22.908
  109    H1     G  10           H1         G  10  -2.283  -4.572  23.430
  110   1H2     G  10          2H2         G  10  -2.663  -6.771  23.594
  111   2H2     G  10          1H2         G  10  -1.332  -7.920  23.739
  112    H5T    G  10           H5T        G  10   5.567  -5.456  19.817
  113   1H5*    U  11          1H5*        U  11   3.246 -10.271  20.056
  114   2H5*    U  11          2H5*        U  11   3.042 -10.526  18.315
  115    H4*    U  11           H4*        U  11   0.945 -10.876  19.549
  116    H3*    U  11           H3*        U  11   0.974  -8.447  17.742
  117    H2*    U  11           H2*        U  11  -1.373  -8.229  18.266
  118   2HO*    U  11          2HO*        U  11  -1.625 -10.622  18.279
  119    H1*    U  11           H1*        U  11  -1.086  -8.642  20.925
  120    H3     U  11           H3         U  11  -2.130  -4.249  20.144
  121    H5     U  11           H5         U  11   2.060  -4.452  19.868
  122    H6     U  11           H6         U  11   1.903  -6.863  19.980
  123   1H5*    C  12          1H5*        C  12  -2.591 -10.758  16.672
  124   2H5*    C  12          2H5*        C  12  -2.871 -10.611  14.930
  125    H4*    C  12           H4*        C  12  -4.769  -9.815  16.399
  126    H3*    C  12           H3*        C  12  -3.487  -7.884  14.453
  127    H2*    C  12           H2*        C  12  -5.191  -6.307  15.090
  128   2HO*    C  12          2HO*        C  12  -6.755  -8.202  15.243
  129    H1*    C  12           H1*        C  12  -5.094  -6.877  17.783
  130   1H4     C  12          2H4         C  12  -1.775  -1.625  17.197
  131   2H4     C  12          1H4         C  12  -0.246  -2.498  17.037
  132    H5     C  12           H5         C  12  -0.237  -4.988  16.720
  133    H6     C  12           H6         C  12  -1.650  -6.948  16.681
  134   1H5*    G  13          1H5*        G  13  -7.449  -6.863  13.728
  135   2H5*    G  13          2H5*        G  13  -7.672  -6.811  11.972
  136    H4*    G  13           H4*        G  13  -8.109  -4.620  12.943
  137    H3*    G  13           H3*        G  13  -5.594  -4.787  11.274
  138    H2*    G  13           H2*        G  13  -5.400  -2.419  11.487
  139   2HO*    G  13          2HO*        G  13  -7.698  -1.997  11.258
  140    H1*    G  13           H1*        G  13  -5.969  -2.369  14.178
  141    H8     G  13           H8         G  13  -3.955  -5.461  13.111
  142    H1     G  13           H1         G  13  -0.339  -0.274  14.215
  143   1H2     G  13          1H2         G  13  -1.621   1.485  14.624
  144   2H2     G  13          2H2         G  13  -3.361   1.407  14.544
  145   1H5*    A  14          1H5*        A  14  -7.633  -1.417   7.398
  146   2H5*    A  14          2H5*        A  14  -6.485  -0.864   8.643
  147    H4*    A  14           H4*        A  14  -9.489  -0.300   8.648
  148    H3*    A  14           H3*        A  14  -7.116   1.327   7.710
  149    H2*    A  14           H2*        A  14  -8.216   3.308   8.511
  150   2HO*    A  14          2HO*        A  14 -10.356   2.292   7.846
  151    H1*    A  14           H1*        A  14  -8.918   2.240  10.923
  152    H8     A  14           H8         A  14  -5.672   0.535  10.594
  153   1H6     A  14          1H6         A  14  -3.022   6.048  11.803
  154   2H6     A  14          2H6         A  14  -2.696   4.320  11.637
  155    H2     A  14           H2         A  14  -7.224   6.763  10.709
  156   1H5*    A  15          1H5*        A  15  -9.651   4.155   6.491
  157   2H5*    A  15          2H5*        A  15  -9.324   4.505   4.783
  158    H4*    A  15           H4*        A  15  -9.004   6.507   6.136
  159    H3*    A  15           H3*        A  15  -6.472   5.330   4.967
  160    H2*    A  15           H2*        A  15  -5.310   7.267   5.826
  161   2HO*    A  15          2HO*        A  15  -7.316   8.601   5.347
  162    H1*    A  15           H1*        A  15  -6.446   7.176   8.290
  163    H8     A  15           H8         A  15  -6.189   3.564   7.447
  164   1H6     A  15          1H6         A  15  -0.104   4.013   8.615
  165   2H6     A  15          2H6         A  15  -1.417   2.882   8.259
  166    H2     A  15           H2         A  15  -1.772   8.079   8.621
  167   1H5*    G  16          1H5*        G  16  -6.072   9.412   4.010
  168   2H5*    G  16          2H5*        G  16  -5.541   9.560   2.328
  169    H4*    G  16           H4*        G  16  -3.990  10.641   3.942
  170    H3*    G  16           H3*        G  16  -2.939   8.297   2.341
  171    H2*    G  16           H2*        G  16  -0.762   8.837   3.250
  172   2HO*    G  16          2HO*        G  16  -1.378  11.208   3.141
  173    H1*    G  16           H1*        G  16  -1.662   9.182   5.812
  174    H8     G  16           H8         G  16  -3.703   6.278   4.583
  175    H1     G  16           H1         G  16   2.458   4.721   5.597
  176   1H2     G  16          2H2         G  16   3.710   6.594   5.569
  177   2H2     G  16          1H2         G  16   2.936   8.177   5.567
  178   1H5*    C  17          1H5*        C  17  -0.063  11.400   1.711
  179   2H5*    C  17          2H5*        C  17   0.356  11.457  -0.010
  180    H4*    C  17           H4*        C  17   2.340  11.125   1.446
  181    H3*    C  17           H3*        C  17   1.605   8.863  -0.430
  182    H2*    C  17           H2*        C  17   3.694   7.843   0.211
  183   2HO*    C  17          2HO*        C  17   4.691  10.071   0.304
  184    H1*    C  17           H1*        C  17   3.403   8.408   2.890
  185   1H4     C  17          2H4         C  17   1.429   2.450   2.406
  186   2H4     C  17          1H4         C  17  -0.235   2.971   2.164
  187    H5     C  17           H5         C  17  -0.802   5.344   1.716
  188    H6     C  17           H6         C  17   0.095   7.585   1.633
  189   1H5*    C  18          1H5*        C  18   5.850   9.829  -1.224
  190   2H5*    C  18          2H5*        C  18   6.057   9.819  -2.986
  191    H4*    C  18           H4*        C  18   7.650   8.284  -1.858
  192    H3*    C  18           H3*        C  18   5.524   6.995  -3.609
  193    H2*    C  18           H2*        C  18   6.636   4.926  -3.273
  194   2HO*    C  18          2HO*        C  18   8.706   4.826  -2.297
  195    H1*    C  18           H1*        C  18   7.248   5.426  -0.577
  196   1H4     C  18          2H4         C  18   2.395   1.420  -0.460
  197   2H4     C  18          1H4         C  18   1.219   2.720  -0.634
  198    H5     C  18           H5         C  18   1.929   5.041  -1.175
  199    H6     C  18           H6         C  18   3.852   6.480  -1.469
  200    H3T    C  18           H3T        C  18   8.272   7.184  -4.108
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   5.666  -8.730   0.990
    2   2H5*    G   1          2H5*        G   1   6.115  -8.416   2.678
    3    H4*    G   1           H4*        G   1   7.762  -7.444   1.161
    4    H3*    G   1           H3*        G   1   6.069  -5.427   2.658
    5    H2*    G   1           H2*        G   1   7.537  -3.737   1.763
    6   2HO*    G   1          2HO*        G   1   9.418  -5.244   1.965
    7    H1*    G   1           H1*        G   1   7.486  -4.722  -0.781
    8    H8     G   1           H8         G   1   4.000  -5.418   0.378
    9    H1     G   1           H1         G   1   5.040   0.854  -0.624
   10   1H2     G   1          2H2         G   1   7.245   1.226  -0.788
   11   2H2     G   1          1H2         G   1   8.398  -0.108  -0.716
   12    H5T    G   1           H5T        G   1   3.947  -7.979   2.464
   13   1H5*    G   2          1H5*        G   2  10.124  -4.272   3.521
   14   2H5*    G   2          2H5*        G   2  10.223  -3.767   5.217
   15    H4*    G   2           H4*        G   2  10.938  -2.007   3.594
   16    H3*    G   2           H3*        G   2   8.533  -1.423   5.337
   17    H2*    G   2           H2*        G   2   8.614   0.822   4.440
   18   2HO*    G   2          2HO*        G   2  11.042   0.706   4.405
   19    H1*    G   2           H1*        G   2   8.949   0.031   1.856
   20    H8     G   2           H8         G   2   6.542  -2.490   3.327
   21    H1     G   2           H1         G   2   3.919   3.314   2.445
   22   1H2     G   2          2H2         G   2   5.576   4.840   2.197
   23   2H2     G   2          1H2         G   2   7.255   4.312   2.076
   24   1H5*    C   3          1H5*        C   3  11.212   1.971   5.815
   25   2H5*    C   3          2H5*        C   3  11.204   2.493   7.508
   26    H4*    C   3           H4*        C   3  10.560   4.285   5.868
   27    H3*    C   3           H3*        C   3   8.510   3.458   7.944
   28    H2*    C   3           H2*        C   3   7.211   5.325   7.138
   29   2HO*    C   3          2HO*        C   3   9.273   6.580   6.805
   30    H1*    C   3           H1*        C   3   7.642   4.803   4.492
   31   1H4     C   3          2H4         C   3   2.040   2.201   5.726
   32   2H4     C   3          1H4         C   3   2.803   0.631   5.947
   33    H5     C   3           H5         C   3   5.246   0.386   6.224
   34    H6     C   3           H6         C   3   7.350   1.548   6.032
   35   1H5*    U   4          1H5*        U   4   7.908   7.416   8.348
   36   2H5*    U   4          2H5*        U   4   7.825   7.842  10.067
   37    H4*    U   4           H4*        U   4   5.675   8.263   8.917
   38    H3*    U   4           H3*        U   4   5.598   5.917  10.822
   39    H2*    U   4           H2*        U   4   3.212   6.000  10.637
   40   2HO*    U   4          2HO*        U   4   2.962   8.325  10.318
   41    H1*    U   4           H1*        U   4   3.386   6.071   7.917
   42    H3     U   4           H3         U   4   2.051   1.873   9.234
   43    H5     U   4           H5         U   4   6.244   1.785   9.402
   44    H6     U   4           H6         U   4   6.277   4.158   8.980
   45   1H5*    A   5          1H5*        A   5   2.832   9.018  13.964
   46   2H5*    A   5          2H5*        A   5   3.331   7.458  13.283
   47    H4*    A   5           H4*        A   5   0.677   8.846  12.691
   48    H3*    A   5           H3*        A   5   1.477   6.586  14.549
   49    H2*    A   5           H2*        A   5  -0.678   5.607  14.192
   50   2HO*    A   5          2HO*        A   5  -1.863   7.620  14.168
   51    H1*    A   5           H1*        A   5  -0.614   5.958  11.474
   52    H8     A   5           H8         A   5   2.892   5.216  12.878
   53   1H6     A   5          1H6         A   5   1.423  -0.744  11.849
   54   2H6     A   5          2H6         A   5   2.752   0.340  12.243
   55    H2     A   5           H2         A   5  -2.195   1.643  11.208
   56   1H5*    A   6          1H5*        A   6  -2.884   7.652  17.863
   57   2H5*    A   6          2H5*        A   6  -2.769   6.207  16.830
   58    H4*    A   6           H4*        A   6  -4.374   8.725  16.172
   59    H3*    A   6           H3*        A   6  -5.143   6.034  17.316
   60    H2*    A   6           H2*        A   6  -7.228   6.175  16.139
   61   2HO*    A   6          2HO*        A   6  -7.204   8.600  16.499
   62    H1*    A   6           H1*        A   6  -6.086   6.877  13.773
   63    H8     A   6           H8         A   6  -3.332   4.732  14.820
   64   1H6     A   6          1H6         A   6  -6.981  -0.135  13.491
   65   2H6     A   6          2H6         A   6  -5.326   0.314  13.886
   66    H2     A   6           H2         A   6  -9.539   3.422  13.733
   67   1H5*    G   7          1H5*        G   7  -8.456   6.897  18.330
   68   2H5*    G   7          2H5*        G   7  -8.822   6.481  20.017
   69    H4*    G   7           H4*        G   7  -9.990   5.009  18.406
   70    H3*    G   7           H3*        G   7  -7.857   3.638  20.070
   71    H2*    G   7           H2*        G   7  -8.688   1.569  19.094
   72   2HO*    G   7          2HO*        G   7 -10.944   2.518  19.081
   73    H1*    G   7           H1*        G   7  -8.701   2.537  16.555
   74    H8     G   7           H8         G   7  -5.712   4.197  18.153
   75    H1     G   7           H1         G   7  -4.772  -2.055  16.988
   76   1H2     G   7          2H2         G   7  -6.729  -3.042  16.603
   77   2H2     G   7          1H2         G   7  -8.218  -2.098  16.484
   78   1H5*    A   8          1H5*        A   8 -11.383   1.266  20.399
   79   2H5*    A   8          2H5*        A   8 -11.593   0.660  22.047
   80    H4*    A   8           H4*        A   8 -11.504  -1.117  20.263
   81    H3*    A   8           H3*        A   8  -9.465  -1.143  22.496
   82    H2*    A   8           H2*        A   8  -8.718  -3.287  21.601
   83   2HO*    A   8          2HO*        A   8 -11.093  -3.698  20.986
   84    H1*    A   8           H1*        A   8  -8.699  -2.457  19.000
   85    H8     A   8           H8         A   8  -7.460   0.650  20.636
   86   1H6     A   8          1H6         A   8  -1.891  -2.126  20.325
   87   2H6     A   8          2H6         A   8  -2.723  -0.582  20.451
   88    H2     A   8           H2         A   8  -5.003  -5.257  19.977
   89   1H5*    C   9          1H5*        C   9 -11.140  -4.960  22.392
   90   2H5*    C   9          2H5*        C   9 -11.635  -5.576  23.976
   91    H4*    C   9           H4*        C   9  -9.990  -7.038  22.733
   92    H3*    C   9           H3*        C   9 -10.039  -6.553  25.474
   93    H2*    C   9           H2*        C   9  -8.348  -4.886  25.429
   94   2HO*    C   9          2HO*        C   9  -6.357  -5.940  26.054
   95    H1*    C   9           H1*        C   9  -6.891  -6.608  23.393
   96   1H4     C   9          2H4         C   9  -2.857  -1.741  23.456
   97   2H4     C   9          1H4         C   9  -4.129  -0.521  23.565
   98    H5     C   9           H5         C   9  -6.521  -1.172  23.744
   99    H6     C   9           H6         C   9  -8.039  -3.055  23.735
  100    H3T    C   9           H3T        C   9  -8.191  -8.191  25.305
  101   1H5*    G  10          1H5*        G  10   6.811  -5.629  22.156
  102   2H5*    G  10          2H5*        G  10   6.947  -6.913  20.947
  103    H4*    G  10           H4*        G  10   5.752  -7.950  22.646
  104    H3*    G  10           H3*        G  10   3.677  -6.835  20.731
  105    H2*    G  10           H2*        G  10   2.016  -7.907  22.000
  106   2HO*    G  10          2HO*        G  10   3.494  -9.784  22.398
  107    H1*    G  10           H1*        G  10   3.005  -7.088  24.398
  108    H8     G  10           H8         G  10   3.879  -4.008  22.696
  109    H1     G  10           H1         G  10  -2.499  -4.594  23.323
  110   1H2     G  10          2H2         G  10  -3.024  -6.758  23.552
  111   2H2     G  10          1H2         G  10  -1.772  -7.996  23.664
  112    H5T    G  10           H5T        G  10   5.372  -5.981  19.730
  113   1H5*    U  11          1H5*        U  11   2.844 -10.714  19.778
  114   2H5*    U  11          2H5*        U  11   2.618 -10.890  18.030
  115    H4*    U  11           H4*        U  11   0.513 -11.165  19.281
  116    H3*    U  11           H3*        U  11   0.654  -8.692  17.539
  117    H2*    U  11           H2*        U  11  -1.680  -8.378  18.090
  118   2HO*    U  11          2HO*        U  11  -2.042 -10.758  18.054
  119    H1*    U  11           H1*        U  11  -1.378  -8.862  20.736
  120    H3     U  11           H3         U  11  -2.216  -4.412  20.032
  121    H5     U  11           H5         U  11   1.951  -4.810  19.648
  122    H6     U  11           H6         U  11   1.683  -7.212  19.762
  123   1H5*    C  12          1H5*        C  12  -3.039 -10.785  16.464
  124   2H5*    C  12          2H5*        C  12  -3.334 -10.583  14.730
  125    H4*    C  12           H4*        C  12  -5.173  -9.737  16.246
  126    H3*    C  12           H3*        C  12  -3.835  -7.822  14.323
  127    H2*    C  12           H2*        C  12  -5.469  -6.193  15.014
  128   2HO*    C  12          2HO*        C  12  -7.105  -8.025  15.151
  129    H1*    C  12           H1*        C  12  -5.354  -6.818  17.694
  130   1H4     C  12          2H4         C  12  -1.828  -1.692  17.088
  131   2H4     C  12          1H4         C  12  -0.340  -2.629  16.909
  132    H5     C  12           H5         C  12  -0.438  -5.115  16.584
  133    H6     C  12           H6         C  12  -1.931  -7.015  16.558
  134   1H5*    G  13          1H5*        G  13  -7.749  -6.619  13.669
  135   2H5*    G  13          2H5*        G  13  -7.995  -6.521  11.919
  136    H4*    G  13           H4*        G  13  -8.322  -4.335  12.946
  137    H3*    G  13           H3*        G  13  -5.847  -4.571  11.226
  138    H2*    G  13           H2*        G  13  -5.551  -2.217  11.485
  139   2HO*    G  13          2HO*        G  13  -7.830  -1.691  11.313
  140    H1*    G  13           H1*        G  13  -6.064  -2.205  14.188
  141    H8     G  13           H8         G  13  -4.206  -5.361  13.038
  142    H1     G  13           H1         G  13  -0.352  -0.335  14.087
  143   1H2     G  13          1H2         G  13  -1.549   1.468  14.551
  144   2H2     G  13          2H2         G  13  -3.293   1.461  14.526
  145   1H5*    A  14          1H5*        A  14  -7.803  -1.011   7.479
  146   2H5*    A  14          2H5*        A  14  -6.604  -0.552   8.714
  147    H4*    A  14           H4*        A  14  -9.577   0.149   8.811
  148    H3*    A  14           H3*        A  14  -7.160   1.701   7.856
  149    H2*    A  14           H2*        A  14  -8.167   3.702   8.731
  150   2HO*    A  14          2HO*        A  14 -10.358   2.784   8.090
  151    H1*    A  14           H1*        A  14  -8.856   2.594  11.130
  152    H8     A  14           H8         A  14  -5.676   0.795  10.673
  153   1H6     A  14          1H6         A  14  -2.822   6.192  11.955
  154   2H6     A  14          2H6         A  14  -2.554   4.460  11.739
  155    H2     A  14           H2         A  14  -7.023   7.064  10.985
  156   1H5*    A  15          1H5*        A  15  -9.593   4.671   6.801
  157   2H5*    A  15          2H5*        A  15  -9.308   5.053   5.093
  158    H4*    A  15           H4*        A  15  -8.858   7.003   6.485
  159    H3*    A  15           H3*        A  15  -6.429   5.750   5.188
  160    H2*    A  15           H2*        A  15  -5.139   7.593   6.054
  161   2HO*    A  15          2HO*        A  15  -7.086   9.042   5.675
  162    H1*    A  15           H1*        A  15  -6.203   7.513   8.556
  163    H8     A  15           H8         A  15  -6.128   3.911   7.635
  164   1H6     A  15          1H6         A  15   0.001   4.079   8.657
  165   2H6     A  15          2H6         A  15  -1.365   3.011   8.308
  166    H2     A  15           H2         A  15  -1.493   8.209   8.787
  167   1H5*    G  16          1H5*        G  16  -5.830   9.827   4.306
  168   2H5*    G  16          2H5*        G  16  -5.365   9.971   2.603
  169    H4*    G  16           H4*        G  16  -3.658  10.910   4.148
  170    H3*    G  16           H3*        G  16  -2.860   8.483   2.531
  171    H2*    G  16           H2*        G  16  -0.623   8.868   3.313
  172   2HO*    G  16          2HO*        G  16   0.006  10.674   4.382
  173    H1*    G  16           H1*        G  16  -1.401   9.306   5.919
  174    H8     G  16           H8         G  16  -3.591   6.483   4.744
  175    H1     G  16           H1         G  16   2.541   4.725   5.622
  176   1H2     G  16          2H2         G  16   3.848   6.560   5.584
  177   2H2     G  16          1H2         G  16   3.125   8.165   5.614
  178   1H5*    C  17          1H5*        C  17   0.067  11.463   1.795
  179   2H5*    C  17          2H5*        C  17   0.494  11.520   0.077
  180    H4*    C  17           H4*        C  17   2.473  11.175   1.542
  181    H3*    C  17           H3*        C  17   1.729   8.934  -0.355
  182    H2*    C  17           H2*        C  17   3.801   7.881   0.287
  183   2HO*    C  17          2HO*        C  17   4.801  10.123   0.426
  184    H1*    C  17           H1*        C  17   3.508   8.414   2.968
  185   1H4     C  17          2H4         C  17   1.422   2.505   2.454
  186   2H4     C  17          1H4         C  17  -0.234   3.061   2.229
  187    H5     C  17           H5         C  17  -0.755   5.448   1.788
  188    H6     C  17           H6         C  17   0.189   7.665   1.696
  189   1H5*    C  18          1H5*        C  18   5.983   9.696  -1.078
  190   2H5*    C  18          2H5*        C  18   6.181   9.796  -2.836
  191    H4*    C  18           H4*        C  18   7.717   8.130  -1.918
  192    H3*    C  18           H3*        C  18   5.402   6.916  -3.486
  193    H2*    C  18           H2*        C  18   6.578   4.849  -3.335
  194   2HO*    C  18          2HO*        C  18   8.678   6.054  -3.630
  195    H1*    C  18           H1*        C  18   7.316   5.249  -0.678
  196   1H4     C  18          2H4         C  18   2.300   1.443  -0.436
  197   2H4     C  18          1H4         C  18   1.162   2.785  -0.560
  198    H5     C  18           H5         C  18   1.948   5.093  -1.075
  199    H6     C  18           H6         C  18   3.917   6.462  -1.391
  200    H3T    C  18           H3T        C  18   6.727   8.295  -4.703
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   5.230  -8.383  -0.364
    2   2H5*    G   1          2H5*        G   1   5.883  -8.416   1.282
    3    H4*    G   1           H4*        G   1   7.472  -7.279  -0.107
    4    H3*    G   1           H3*        G   1   5.900  -5.314   1.584
    5    H2*    G   1           H2*        G   1   7.430  -3.635   0.825
    6   2HO*    G   1          2HO*        G   1   9.250  -5.222   0.842
    7    H1*    G   1           H1*        G   1   7.247  -4.381  -1.792
    8    H8     G   1           H8         G   1   3.780  -5.094  -0.629
    9    H1     G   1           H1         G   1   4.961   1.223  -0.987
   10   1H2     G   1          2H2         G   1   7.173   1.562  -1.120
   11   2H2     G   1          1H2         G   1   8.295   0.201  -1.203
   12    H5T    G   1           H5T        G   1   4.477  -6.774   1.856
   13   1H5*    G   2          1H5*        G   2   9.882  -4.446   2.597
   14   2H5*    G   2          2H5*        G   2  10.005  -4.134   4.337
   15    H4*    G   2           H4*        G   2  10.782  -2.234   2.924
   16    H3*    G   2           H3*        G   2   8.382  -1.756   4.703
   17    H2*    G   2           H2*        G   2   8.536   0.564   4.047
   18   2HO*    G   2          2HO*        G   2  10.964   0.373   4.012
   19    H1*    G   2           H1*        G   2   8.877   0.044   1.399
   20    H8     G   2           H8         G   2   6.381  -2.545   2.553
   21    H1     G   2           H1         G   2   3.955   3.409   2.268
   22   1H2     G   2          2H2         G   2   5.667   4.893   2.200
   23   2H2     G   2          1H2         G   2   7.332   4.322   2.062
   24   1H5*    C   3          1H5*        C   3  11.162   1.500   5.508
   25   2H5*    C   3          2H5*        C   3  11.184   1.819   7.249
   26    H4*    C   3           H4*        C   3  10.610   3.820   5.855
   27    H3*    C   3           H3*        C   3   8.526   2.813   7.814
   28    H2*    C   3           H2*        C   3   7.301   4.814   7.271
   29   2HO*    C   3          2HO*        C   3   9.430   6.009   7.109
   30    H1*    C   3           H1*        C   3   7.746   4.658   4.574
   31   1H4     C   3          2H4         C   3   1.972   2.099   5.404
   32   2H4     C   3          1H4         C   3   2.729   0.531   5.545
   33    H5     C   3           H5         C   3   5.119   0.175   5.739
   34    H6     C   3           H6         C   3   7.276   1.249   5.687
   35   1H5*    U   4          1H5*        U   4   8.343   6.800   8.782
   36   2H5*    U   4          2H5*        U   4   8.262   6.978  10.543
   37    H4*    U   4           H4*        U   4   6.232   7.844   9.432
   38    H3*    U   4           H3*        U   4   5.821   5.375  11.139
   39    H2*    U   4           H2*        U   4   3.448   5.726  10.778
   40   2HO*    U   4          2HO*        U   4   3.731   8.108  10.839
   41    H1*    U   4           H1*        U   4   3.710   6.175   8.097
   42    H3     U   4           H3         U   4   1.744   2.068   8.728
   43    H5     U   4           H5         U   4   5.865   1.344   9.049
   44    H6     U   4           H6         U   4   6.255   3.722   8.978
   45   1H5*    A   5          1H5*        A   5   2.956   8.428  12.441
   46   2H5*    A   5          2H5*        A   5   2.730   8.296  14.191
   47    H4*    A   5           H4*        A   5   0.608   8.075  12.926
   48    H3*    A   5           H3*        A   5   1.501   5.592  14.422
   49    H2*    A   5           H2*        A   5  -0.705   4.734  13.928
   50   2HO*    A   5          2HO*        A   5  -1.793   6.816  14.190
   51    H1*    A   5           H1*        A   5  -0.578   5.468  11.286
   52    H8     A   5           H8         A   5   2.903   4.453  12.521
   53   1H6     A   5          1H6         A   5   1.118  -1.396  11.436
   54   2H6     A   5          2H6         A   5   2.514  -0.369  11.753
   55    H2     A   5           H2         A   5  -2.427   1.163  11.033
   56   1H5*    A   6          1H5*        A   6  -1.788   8.701  15.674
   57   2H5*    A   6          2H5*        A   6  -2.224   8.464  17.378
   58    H4*    A   6           H4*        A   6  -4.138   9.167  15.923
   59    H3*    A   6           H3*        A   6  -4.318   6.469  17.288
   60    H2*    A   6           H2*        A   6  -6.584   6.380  16.452
   61   2HO*    A   6          2HO*        A   6  -6.756   8.793  16.802
   62    H1*    A   6           H1*        A   6  -5.941   7.180  13.925
   63    H8     A   6           H8         A   6  -3.036   5.016  14.973
   64   1H6     A   6          1H6         A   6  -6.707   0.200  13.606
   65   2H6     A   6          2H6         A   6  -5.055   0.652  14.017
   66    H2     A   6           H2         A   6  -9.235   3.794  13.758
   67   1H5*    G   7          1H5*        G   7  -7.978   7.349  18.293
   68   2H5*    G   7          2H5*        G   7  -8.275   6.962  19.999
   69    H4*    G   7           H4*        G   7  -9.601   5.545  18.459
   70    H3*    G   7           H3*        G   7  -7.500   4.094  20.088
   71    H2*    G   7           H2*        G   7  -8.444   2.046  19.175
   72   2HO*    G   7          2HO*        G   7 -10.655   3.103  19.185
   73    H1*    G   7           H1*        G   7  -8.464   2.937  16.616
   74    H8     G   7           H8         G   7  -5.375   4.546  18.084
   75    H1     G   7           H1         G   7  -4.706  -1.783  17.149
   76   1H2     G   7          2H2         G   7  -6.688  -2.689  16.703
   77   2H2     G   7          1H2         G   7  -8.134  -1.686  16.550
   78   1H5*    A   8          1H5*        A   8 -11.177   1.933  20.512
   79   2H5*    A   8          2H5*        A   8 -11.382   1.321  22.157
   80    H4*    A   8           H4*        A   8 -11.429  -0.424  20.322
   81    H3*    A   8           H3*        A   8  -9.417  -0.630  22.568
   82    H2*    A   8           H2*        A   8  -8.805  -2.801  21.637
   83   2HO*    A   8          2HO*        A   8 -11.198  -3.037  20.993
   84    H1*    A   8           H1*        A   8  -8.703  -1.931  19.053
   85    H8     A   8           H8         A   8  -7.283   1.063  20.747
   86   1H6     A   8          1H6         A   8  -1.902  -2.064  20.512
   87   2H6     A   8          2H6         A   8  -2.637  -0.474  20.649
   88    H2     A   8           H2         A   8  -5.202  -4.980  20.022
   89   1H5*    C   9          1H5*        C   9 -11.358  -4.321  22.371
   90   2H5*    C   9          2H5*        C   9 -11.911  -4.935  23.936
   91    H4*    C   9           H4*        C   9 -10.358  -6.480  22.675
   92    H3*    C   9           H3*        C   9 -10.403  -6.057  25.425
   93    H2*    C   9           H2*        C   9  -8.606  -4.505  25.437
   94   2HO*    C   9          2HO*        C   9  -6.697  -5.702  26.058
   95    H1*    C   9           H1*        C   9  -7.238  -6.271  23.378
   96   1H4     C   9          2H4         C   9  -2.906  -1.670  23.624
   97   2H4     C   9          1H4         C   9  -4.101  -0.375  23.739
   98    H5     C   9           H5         C   9  -6.532  -0.877  23.862
   99    H6     C   9           H6         C   9  -8.165  -2.660  23.786
  100    H3T    C   9           H3T        C   9  -8.664  -7.810  25.235
  101   1H5*    G  10          1H5*        G  10   6.535  -6.112  22.679
  102   2H5*    G  10          2H5*        G  10   6.653  -7.372  21.443
  103    H4*    G  10           H4*        G  10   5.327  -8.381  23.058
  104    H3*    G  10           H3*        G  10   3.405  -7.101  21.085
  105    H2*    G  10           H2*        G  10   1.630  -8.103  22.251
  106   2HO*    G  10          2HO*        G  10   2.981 -10.071  22.667
  107    H1*    G  10           H1*        G  10   2.550  -7.395  24.710
  108    H8     G  10           H8         G  10   3.696  -4.339  23.129
  109    H1     G  10           H1         G  10  -2.729  -4.539  23.440
  110   1H2     G  10          2H2         G  10  -3.397  -6.671  23.589
  111   2H2     G  10          1H2         G  10  -2.229  -7.988  23.721
  112    H5T    G  10           H5T        G  10   5.188  -6.323  20.183
  113   1H5*    U  11          1H5*        U  11   2.360 -10.880  20.022
  114   2H5*    U  11          2H5*        U  11   2.237 -11.017  18.261
  115    H4*    U  11           H4*        U  11   0.042 -11.188  19.357
  116    H3*    U  11           H3*        U  11   0.443  -8.680  17.708
  117    H2*    U  11           H2*        U  11  -1.903  -8.247  18.109
  118   2HO*    U  11          2HO*        U  11  -2.409 -10.586  17.964
  119    H1*    U  11           H1*        U  11  -1.810  -8.826  20.752
  120    H3     U  11           H3         U  11  -2.354  -4.316  20.161
  121    H5     U  11           H5         U  11   1.801  -4.937  19.999
  122    H6     U  11           H6         U  11   1.399  -7.322  20.028
  123   1H5*    C  12          1H5*        C  12  -3.271 -10.573  16.300
  124   2H5*    C  12          2H5*        C  12  -3.420 -10.297  14.557
  125    H4*    C  12           H4*        C  12  -5.342  -9.429  15.940
  126    H3*    C  12           H3*        C  12  -3.757  -7.476  14.253
  127    H2*    C  12           H2*        C  12  -5.401  -5.828  14.873
  128   2HO*    C  12          2HO*        C  12  -7.100  -7.600  14.758
  129    H1*    C  12           H1*        C  12  -5.550  -6.592  17.517
  130   1H4     C  12          2H4         C  12  -1.806  -1.558  17.387
  131   2H4     C  12          1H4         C  12  -0.346  -2.542  17.240
  132    H5     C  12           H5         C  12  -0.507  -5.000  16.800
  133    H6     C  12           H6         C  12  -2.054  -6.847  16.602
  134   1H5*    G  13          1H5*        G  13  -7.542  -6.125  13.279
  135   2H5*    G  13          2H5*        G  13  -7.614  -5.917  11.523
  136    H4*    G  13           H4*        G  13  -8.000  -3.795  12.659
  137    H3*    G  13           H3*        G  13  -5.378  -3.953  11.155
  138    H2*    G  13           H2*        G  13  -5.150  -1.593  11.580
  139   2HO*    G  13          2HO*        G  13  -7.459  -1.153  11.288
  140    H1*    G  13           H1*        G  13  -5.818  -1.792  14.231
  141    H8     G  13           H8         G  13  -3.941  -4.920  13.079
  142    H1     G  13           H1         G  13  -0.057  -0.055  14.646
  143   1H2     G  13          1H2         G  13  -1.240   1.793  15.014
  144   2H2     G  13          2H2         G  13  -2.968   1.838  14.790
  145   1H5*    A  14          1H5*        A  14  -9.321  -1.687   9.794
  146   2H5*    A  14          2H5*        A  14  -9.182  -1.369   8.054
  147    H4*    A  14           H4*        A  14 -10.397   0.413   9.309
  148    H3*    A  14           H3*        A  14  -7.839   1.152   7.882
  149    H2*    A  14           H2*        A  14  -8.227   3.419   8.533
  150   2HO*    A  14          2HO*        A  14 -10.520   3.310   8.062
  151    H1*    A  14           H1*        A  14  -9.101   2.857  11.085
  152    H8     A  14           H8         A  14  -6.152   0.594  10.482
  153   1H6     A  14          1H6         A  14  -2.755   5.654  11.875
  154   2H6     A  14          2H6         A  14  -2.644   3.915  11.601
  155    H2     A  14           H2         A  14  -6.858   6.943  11.020
  156   1H5*    A  15          1H5*        A  15  -8.120   4.395   4.443
  157   2H5*    A  15          2H5*        A  15  -7.094   3.795   5.753
  158    H4*    A  15           H4*        A  15  -8.880   6.263   5.967
  159    H3*    A  15           H3*        A  15  -6.032   5.847   5.084
  160    H2*    A  15           H2*        A  15  -5.278   7.758   6.298
  161   2HO*    A  15          2HO*        A  15  -7.466   8.810   5.758
  162    H1*    A  15           H1*        A  15  -6.565   7.178   8.604
  163    H8     A  15           H8         A  15  -6.051   3.722   7.679
  164   1H6     A  15          1H6         A  15   0.039   4.396   8.703
  165   2H6     A  15          2H6         A  15  -1.245   3.222   8.380
  166    H2     A  15           H2         A  15  -1.800   8.389   8.851
  167   1H5*    G  16          1H5*        G  16  -5.681   9.701   4.628
  168   2H5*    G  16          2H5*        G  16  -5.218  10.098   2.962
  169    H4*    G  16           H4*        G  16  -3.532  10.878   4.573
  170    H3*    G  16           H3*        G  16  -2.699   8.652   2.703
  171    H2*    G  16           H2*        G  16  -0.470   8.860   3.602
  172   2HO*    G  16          2HO*        G  16  -0.832  11.276   3.769
  173    H1*    G  16           H1*        G  16  -1.251   8.990   6.211
  174    H8     G  16           H8         G  16  -3.703   6.541   4.811
  175    H1     G  16           H1         G  16   2.177   4.050   5.579
  176   1H2     G  16          1H2         G  16   3.613   5.510   5.620
  177   2H2     G  16          2H2         G  16   3.390   7.195   5.599
  178   1H5*    C  17          1H5*        C  17   0.383  11.674   2.330
  179   2H5*    C  17          2H5*        C  17   0.768  11.877   0.612
  180    H4*    C  17           H4*        C  17   2.763  11.299   1.978
  181    H3*    C  17           H3*        C  17   1.863   9.274  -0.088
  182    H2*    C  17           H2*        C  17   3.897   8.076   0.403
  183   2HO*    C  17          2HO*        C  17   5.036  10.216   0.670
  184    H1*    C  17           H1*        C  17   3.699   8.412   3.130
  185   1H4     C  17          2H4         C  17   1.388   2.636   2.218
  186   2H4     C  17          1H4         C  17  -0.250   3.259   2.032
  187    H5     C  17           H5         C  17  -0.685   5.693   1.757
  188    H6     C  17           H6         C  17   0.342   7.880   1.826
  189   1H5*    C  18          1H5*        C  18   6.157  10.115  -0.893
  190   2H5*    C  18          2H5*        C  18   6.324  10.243  -2.654
  191    H4*    C  18           H4*        C  18   7.867   8.548  -1.701
  192    H3*    C  18           H3*        C  18   5.641   7.506  -3.491
  193    H2*    C  18           H2*        C  18   6.657   5.366  -3.353
  194   2HO*    C  18          2HO*        C  18   8.743   5.090  -2.446
  195    H1*    C  18           H1*        C  18   7.357   5.615  -0.644
  196   1H4     C  18          2H4         C  18   2.299   1.859  -0.734
  197   2H4     C  18          1H4         C  18   1.188   3.226  -0.806
  198    H5     C  18           H5         C  18   2.011   5.540  -1.185
  199    H6     C  18           H6         C  18   4.001   6.898  -1.403
  200    H3T    C  18           H3T        C  18   8.382   7.606  -4.048
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   6.065  -8.410  -0.603
    2   2H5*    G   1          2H5*        G   1   6.433  -8.311   1.128
    3    H4*    G   1           H4*        G   1   7.922  -6.883  -0.247
    4    H3*    G   1           H3*        G   1   6.056  -5.367   1.605
    5    H2*    G   1           H2*        G   1   7.414  -3.442   1.045
    6   2HO*    G   1          2HO*        G   1   9.405  -4.761   1.029
    7    H1*    G   1           H1*        G   1   7.490  -4.060  -1.645
    8    H8     G   1           H8         G   1   3.953  -4.806  -0.663
    9    H1     G   1           H1         G   1   5.189   1.508  -0.763
   10   1H2     G   1          2H2         G   1   7.410   1.830  -0.814
   11   2H2     G   1          1H2         G   1   8.519   0.462  -0.924
   12    H5T    G   1           H5T        G   1   4.365  -6.917  -0.226
   13   1H5*    G   2          1H5*        G   2  10.171  -4.227   2.644
   14   2H5*    G   2          2H5*        G   2  10.255  -3.929   4.388
   15    H4*    G   2           H4*        G   2  10.975  -1.995   2.937
   16    H3*    G   2           H3*        G   2   8.674  -1.622   4.864
   17    H2*    G   2           H2*        G   2   8.711   0.714   4.252
   18   2HO*    G   2          2HO*        G   2  11.152   0.571   4.074
   19    H1*    G   2           H1*        G   2   8.968   0.274   1.578
   20    H8     G   2           H8         G   2   6.527  -2.364   2.728
   21    H1     G   2           H1         G   2   4.048   3.569   2.563
   22   1H2     G   2          2H2         G   2   5.752   5.071   2.614
   23   2H2     G   2          1H2         G   2   7.423   4.514   2.511
   24   1H5*    C   3          1H5*        C   3  11.311   1.760   5.522
   25   2H5*    C   3          2H5*        C   3  11.492   2.017   7.264
   26    H4*    C   3           H4*        C   3  10.644   4.033   6.008
   27    H3*    C   3           H3*        C   3   8.990   2.789   8.209
   28    H2*    C   3           H2*        C   3   7.360   4.426   7.877
   29   2HO*    C   3          2HO*        C   3   8.843   6.196   7.881
   30    H1*    C   3           H1*        C   3   7.733   4.777   5.118
   31   1H4     C   3          2H4         C   3   2.090   2.039   5.583
   32   2H4     C   3          1H4         C   3   2.816   0.436   5.605
   33    H5     C   3           H5         C   3   5.255   0.111   5.861
   34    H6     C   3           H6         C   3   7.383   1.257   5.937
   35   1H5*    U   4          1H5*        U   4   7.779   5.572  11.764
   36   2H5*    U   4          2H5*        U   4   7.346   4.326  10.592
   37    H4*    U   4           H4*        U   4   6.623   7.264  10.216
   38    H3*    U   4           H3*        U   4   5.208   5.045  11.694
   39    H2*    U   4           H2*        U   4   3.095   5.838  10.862
   40   2HO*    U   4          2HO*        U   4   3.964   8.127  10.984
   41    H1*    U   4           H1*        U   4   3.922   6.085   8.288
   42    H3     U   4           H3         U   4   1.349   2.258   8.757
   43    H5     U   4           H5         U   4   5.329   1.047   9.261
   44    H6     U   4           H6         U   4   5.999   3.357   9.298
   45   1H5*    A   5          1H5*        A   5   2.656   8.270  12.540
   46   2H5*    A   5          2H5*        A   5   2.300   8.287  14.277
   47    H4*    A   5           H4*        A   5   0.239   8.105  12.962
   48    H3*    A   5           H3*        A   5   0.958   5.591  14.500
   49    H2*    A   5           H2*        A   5  -1.221   4.783  13.887
   50   2HO*    A   5          2HO*        A   5  -2.306   6.853  14.113
   51    H1*    A   5           H1*        A   5  -0.965   5.520  11.259
   52    H8     A   5           H8         A   5   2.441   4.448  12.580
   53   1H6     A   5          1H6         A   5   0.585  -1.369  11.446
   54   2H6     A   5          2H6         A   5   1.989  -0.368  11.798
   55    H2     A   5           H2         A   5  -2.917   1.234  11.051
   56   1H5*    A   6          1H5*        A   6  -2.446   8.668  15.544
   57   2H5*    A   6          2H5*        A   6  -2.945   8.431  17.231
   58    H4*    A   6           H4*        A   6  -4.822   9.039  15.685
   59    H3*    A   6           H3*        A   6  -4.953   6.355  17.085
   60    H2*    A   6           H2*        A   6  -7.181   6.170  16.159
   61   2HO*    A   6          2HO*        A   6  -7.456   8.579  16.463
   62    H1*    A   6           H1*        A   6  -6.464   6.954  13.651
   63    H8     A   6           H8         A   6  -3.524   4.924  14.845
   64   1H6     A   6          1H6         A   6  -6.926  -0.052  13.336
   65   2H6     A   6          2H6         A   6  -5.312   0.473  13.807
   66    H2     A   6           H2         A   6  -9.613   3.432  13.402
   67   1H5*    G   7          1H5*        G   7  -8.670   7.048  17.888
   68   2H5*    G   7          2H5*        G   7  -9.036   6.677  19.584
   69    H4*    G   7           H4*        G   7 -10.190   5.153  18.003
   70    H3*    G   7           H3*        G   7  -8.109   3.876  19.794
   71    H2*    G   7           H2*        G   7  -8.860   1.751  18.890
   72   2HO*    G   7          2HO*        G   7 -11.133   2.654  18.759
   73    H1*    G   7           H1*        G   7  -8.819   2.575  16.303
   74    H8     G   7           H8         G   7  -5.898   4.377  17.898
   75    H1     G   7           H1         G   7  -4.832  -1.913  17.070
   76   1H2     G   7          2H2         G   7  -6.727  -2.929  16.512
   77   2H2     G   7          1H2         G   7  -8.218  -2.013  16.276
   78   1H5*    A   8          1H5*        A   8 -11.667   1.485  20.102
   79   2H5*    A   8          2H5*        A   8 -11.899   0.915  21.760
   80    H4*    A   8           H4*        A   8 -11.734  -0.906  20.026
   81    H3*    A   8           H3*        A   8  -9.715  -0.832  22.276
   82    H2*    A   8           H2*        A   8  -8.944  -2.984  21.454
   83   2HO*    A   8          2HO*        A   8 -11.266  -3.511  20.856
   84    H1*    A   8           H1*        A   8  -8.887  -2.214  18.833
   85    H8     A   8           H8         A   8  -7.730   0.895  20.598
   86   1H6     A   8          1H6         A   8  -2.146  -1.877  20.615
   87   2H6     A   8          2H6         A   8  -2.984  -0.339  20.786
   88    H2     A   8           H2         A   8  -5.197  -4.962  19.788
   89   1H5*    C   9          1H5*        C   9 -11.365  -4.817  22.293
   90   2H5*    C   9          2H5*        C   9 -11.690  -5.322  23.963
   91    H4*    C   9           H4*        C   9 -10.148  -6.887  22.792
   92    H3*    C   9           H3*        C   9  -8.963  -5.297  25.096
   93    H2*    C   9           H2*        C   9  -7.000  -6.621  24.869
   94   2HO*    C   9          2HO*        C   9  -6.958  -8.430  23.446
   95    H1*    C   9           H1*        C   9  -7.025  -6.556  22.082
   96   1H4     C   9          2H4         C   9  -2.823  -2.199  23.823
   97   2H4     C   9          1H4         C   9  -4.068  -0.964  24.016
   98    H5     C   9           H5         C   9  -6.479  -1.527  23.862
   99    H6     C   9           H6         C   9  -8.044  -3.308  23.423
  100    H3T    C   9           H3T        C   9  -9.531  -8.041  25.001
  101   1H5*    G  10          1H5*        G  10   7.173  -7.080  23.870
  102   2H5*    G  10          2H5*        G  10   7.159  -7.365  22.120
  103    H4*    G  10           H4*        G  10   5.507  -8.763  23.352
  104    H3*    G  10           H3*        G  10   4.388  -6.744  21.389
  105    H2*    G  10           H2*        G  10   2.253  -7.810  21.762
  106   2HO*    G  10          2HO*        G  10   3.351  -9.962  21.891
  107    H1*    G  10           H1*        G  10   2.567  -7.998  24.477
  108    H8     G  10           H8         G  10   3.901  -4.582  23.638
  109    H1     G  10           H1         G  10  -2.520  -4.938  23.438
  110   1H2     G  10          2H2         G  10  -3.133  -7.089  23.275
  111   2H2     G  10          1H2         G  10  -1.938  -8.384  23.386
  112    H5T    G  10           H5T        G  10   5.928  -5.218  23.508
  113   1H5*    U  11          1H5*        U  11   2.680 -10.581  20.206
  114   2H5*    U  11          2H5*        U  11   2.609 -10.626  18.437
  115    H4*    U  11           H4*        U  11   0.391 -10.945  19.522
  116    H3*    U  11           H3*        U  11   0.735  -8.473  17.805
  117    H2*    U  11           H2*        U  11  -1.654  -8.167  18.080
  118   2HO*    U  11          2HO*        U  11  -2.011 -10.538  17.999
  119    H1*    U  11           H1*        U  11  -1.639  -8.671  20.746
  120    H3     U  11           H3         U  11  -2.482  -4.229  20.283
  121    H5     U  11           H5         U  11   1.703  -4.543  20.069
  122    H6     U  11           H6         U  11   1.475  -6.942  19.941
  123   1H5*    C  12          1H5*        C  12  -2.822 -10.604  16.303
  124   2H5*    C  12          2H5*        C  12  -2.918 -10.367  14.551
  125    H4*    C  12           H4*        C  12  -4.934  -9.581  15.845
  126    H3*    C  12           H3*        C  12  -3.399  -7.576  14.175
  127    H2*    C  12           H2*        C  12  -5.151  -6.007  14.705
  128   2HO*    C  12          2HO*        C  12  -6.743  -7.877  14.562
  129    H1*    C  12           H1*        C  12  -5.369  -6.747  17.351
  130   1H4     C  12          2H4         C  12  -1.951  -1.514  17.481
  131   2H4     C  12          1H4         C  12  -0.426  -2.402  17.387
  132    H5     C  12           H5         C  12  -0.410  -4.854  16.886
  133    H6     C  12           H6         C  12  -1.828  -6.785  16.560
  134   1H5*    G  13          1H5*        G  13  -7.261  -6.503  13.063
  135   2H5*    G  13          2H5*        G  13  -7.293  -6.333  11.302
  136    H4*    G  13           H4*        G  13  -7.872  -4.225  12.377
  137    H3*    G  13           H3*        G  13  -5.197  -4.218  10.959
  138    H2*    G  13           H2*        G  13  -5.140  -1.850  11.346
  139   2HO*    G  13          2HO*        G  13  -7.484  -1.595  10.960
  140    H1*    G  13           H1*        G  13  -5.909  -2.031  13.973
  141    H8     G  13           H8         G  13  -3.760  -5.030  12.926
  142    H1     G  13           H1         G  13  -0.322   0.041  14.836
  143   1H2     G  13          1H2         G  13  -1.633   1.808  15.122
  144   2H2     G  13          2H2         G  13  -3.336   1.760  14.753
  145   1H5*    A  14          1H5*        A  14  -7.811  -0.886   7.064
  146   2H5*    A  14          2H5*        A  14  -6.736  -0.073   8.224
  147    H4*    A  14           H4*        A  14  -9.788  -0.197   8.331
  148    H3*    A  14           H3*        A  14  -7.820   1.941   7.532
  149    H2*    A  14           H2*        A  14  -9.050   3.620   8.648
  150   2HO*    A  14          2HO*        A  14 -11.204   2.688   8.111
  151    H1*    A  14           H1*        A  14  -9.338   2.317  10.955
  152    H8     A  14           H8         A  14  -6.253   0.614  10.321
  153   1H6     A  14          1H6         A  14  -3.280   5.867  11.749
  154   2H6     A  14          2H6         A  14  -3.094   4.132  11.493
  155    H2     A  14           H2         A  14  -7.476   6.894  10.780
  156   1H5*    A  15          1H5*        A  15  -8.509   4.474   4.403
  157   2H5*    A  15          2H5*        A  15  -7.553   3.720   5.705
  158    H4*    A  15           H4*        A  15  -8.778   6.518   5.837
  159    H3*    A  15           H3*        A  15  -6.031   5.589   4.987
  160    H2*    A  15           H2*        A  15  -5.101   7.555   6.031
  161   2HO*    A  15          2HO*        A  15  -7.164   8.763   5.385
  162    H1*    A  15           H1*        A  15  -6.452   7.265   8.361
  163    H8     A  15           H8         A  15  -6.146   3.699   7.635
  164   1H6     A  15          1H6         A  15  -0.020   4.203   8.681
  165   2H6     A  15          2H6         A  15  -1.315   3.030   8.362
  166    H2     A  15           H2         A  15  -1.707   8.223   8.705
  167   1H5*    G  16          1H5*        G  16  -5.660   9.580   4.222
  168   2H5*    G  16          2H5*        G  16  -5.033   9.857   2.589
  169    H4*    G  16           H4*        G  16  -3.615  10.856   4.383
  170    H3*    G  16           H3*        G  16  -2.435   8.704   2.619
  171    H2*    G  16           H2*        G  16  -0.319   9.110   3.709
  172   2HO*    G  16          2HO*        G  16  -0.937  11.490   3.819
  173    H1*    G  16           H1*        G  16  -1.337   9.195   6.240
  174    H8     G  16           H8         G  16  -3.409   6.481   4.732
  175    H1     G  16           H1         G  16   2.668   4.639   5.780
  176   1H2     G  16          2H2         G  16   3.976   6.457   5.957
  177   2H2     G  16          1H2         G  16   3.263   8.067   6.042
  178   1H5*    C  17          1H5*        C  17   0.452  11.841   2.473
  179   2H5*    C  17          2H5*        C  17   0.972  12.081   0.795
  180    H4*    C  17           H4*        C  17   2.865  11.539   2.309
  181    H3*    C  17           H3*        C  17   2.187   9.518   0.157
  182    H2*    C  17           H2*        C  17   4.196   8.352   0.803
  183   2HO*    C  17          2HO*        C  17   5.252  10.523   1.199
  184    H1*    C  17           H1*        C  17   3.765   8.633   3.504
  185   1H4     C  17          2H4         C  17   1.567   2.854   2.336
  186   2H4     C  17          1H4         C  17  -0.050   3.480   2.030
  187    H5     C  17           H5         C  17  -0.476   5.907   1.758
  188    H6     C  17           H6         C  17   0.524   8.096   1.941
  189   1H5*    C  18          1H5*        C  18   6.483  10.376  -0.307
  190   2H5*    C  18          2H5*        C  18   6.790  10.549  -2.046
  191    H4*    C  18           H4*        C  18   8.237   8.811  -1.022
  192    H3*    C  18           H3*        C  18   6.144   7.842  -3.006
  193    H2*    C  18           H2*        C  18   7.120   5.686  -2.843
  194   2HO*    C  18          2HO*        C  18   9.125   5.358  -1.782
  195    H1*    C  18           H1*        C  18   7.610   5.857  -0.083
  196   1H4     C  18          2H4         C  18   2.538   2.169  -0.650
  197   2H4     C  18          1H4         C  18   1.449   3.551  -0.746
  198    H5     C  18           H5         C  18   2.318   5.868  -0.983
  199    H6     C  18           H6         C  18   4.331   7.207  -1.023
  200    H3T    C  18           H3T        C  18   8.922   7.917  -3.345
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.030  -8.352   0.709
    2   2H5*    G   1          2H5*        G   1   5.280  -8.481   1.955
    3    H4*    G   1           H4*        G   1   6.453  -7.670   0.115
    4    H3*    G   1           H3*        G   1   5.649  -5.240   1.753
    5    H2*    G   1           H2*        G   1   6.994  -3.937   0.326
    6   2HO*    G   1          2HO*        G   1   8.594  -5.734   0.105
    7    H1*    G   1           H1*        G   1   5.942  -5.012  -1.942
    8    H8     G   1           H8         G   1   2.827  -5.322  -0.139
    9    H1     G   1           H1         G   1   4.273   0.878  -1.041
   10   1H2     G   1          2H2         G   1   6.484   1.088  -1.340
   11   2H2     G   1          1H2         G   1   7.525  -0.332  -1.465
   12    H5T    G   1           H5T        G   1   4.545  -6.636   2.922
   13   1H5*    G   2          1H5*        G   2   9.589  -4.823   2.553
   14   2H5*    G   2          2H5*        G   2   9.836  -4.512   4.278
   15    H4*    G   2           H4*        G   2  10.496  -2.603   2.868
   16    H3*    G   2           H3*        G   2   8.097  -2.131   4.652
   17    H2*    G   2           H2*        G   2   8.227   0.174   3.954
   18   2HO*    G   2          2HO*        G   2  10.658   0.010   3.939
   19    H1*    G   2           H1*        G   2   8.603  -0.387   1.312
   20    H8     G   2           H8         G   2   6.109  -2.958   2.421
   21    H1     G   2           H1         G   2   3.673   3.001   2.264
   22   1H2     G   2          2H2         G   2   5.368   4.486   2.163
   23   2H2     G   2          1H2         G   2   7.029   3.927   1.970
   24   1H5*    C   3          1H5*        C   3  10.849   1.147   5.428
   25   2H5*    C   3          2H5*        C   3  10.896   1.449   7.173
   26    H4*    C   3           H4*        C   3  10.299   3.467   5.828
   27    H3*    C   3           H3*        C   3   8.215   2.408   7.760
   28    H2*    C   3           H2*        C   3   6.993   4.416   7.263
   29   2HO*    C   3          2HO*        C   3   9.091   5.641   7.138
   30    H1*    C   3           H1*        C   3   7.424   4.311   4.559
   31   1H4     C   3          2H4         C   3   1.707   1.752   5.500
   32   2H4     C   3          1H4         C   3   2.415   0.144   5.556
   33    H5     C   3           H5         C   3   4.848  -0.219   5.680
   34    H6     C   3           H6         C   3   6.994   0.876   5.586
   35   1H5*    U   4          1H5*        U   4   8.283   6.465   8.879
   36   2H5*    U   4          2H5*        U   4   8.117   6.595  10.639
   37    H4*    U   4           H4*        U   4   6.231   7.649   9.413
   38    H3*    U   4           H3*        U   4   5.435   5.160  10.924
   39    H2*    U   4           H2*        U   4   3.143   5.919  10.531
   40   2HO*    U   4          2HO*        U   4   4.065   8.335  10.185
   41    H1*    U   4           H1*        U   4   3.668   6.089   7.890
   42    H3     U   4           H3         U   4   1.328   2.216   8.755
   43    H5     U   4           H5         U   4   5.376   1.176   9.119
   44    H6     U   4           H6         U   4   5.955   3.508   8.979
   45   1H5*    A   5          1H5*        A   5   2.493   9.307  11.421
   46   2H5*    A   5          2H5*        A   5   2.304   9.626  13.155
   47    H4*    A   5           H4*        A   5   0.223   8.786  12.054
   48    H3*    A   5           H3*        A   5   1.454   6.968  14.140
   49    H2*    A   5           H2*        A   5  -0.536   5.609  13.900
   50   2HO*    A   5          2HO*        A   5  -2.013   7.411  13.692
   51    H1*    A   5           H1*        A   5  -0.541   5.746  11.138
   52    H8     A   5           H8         A   5   2.923   5.451  12.870
   53   1H6     A   5          1H6         A   5   2.014  -0.681  12.355
   54   2H6     A   5          2H6         A   5   3.200   0.551  12.785
   55    H2     A   5           H2         A   5  -1.654   1.321  11.004
   56   1H5*    A   6          1H5*        A   6  -2.178   7.217  17.932
   57   2H5*    A   6          2H5*        A   6  -2.717   5.816  17.008
   58    H4*    A   6           H4*        A   6  -3.236   8.752  16.365
   59    H3*    A   6           H3*        A   6  -4.853   6.402  17.312
   60    H2*    A   6           H2*        A   6  -6.686   6.858  15.914
   61   2HO*    A   6          2HO*        A   6  -6.179   9.269  16.231
   62    H1*    A   6           H1*        A   6  -5.272   7.196  13.649
   63    H8     A   6           H8         A   6  -2.782   4.925  14.891
   64   1H6     A   6          1H6         A   6  -6.657   0.246  13.681
   65   2H6     A   6          2H6         A   6  -4.990   0.666  14.046
   66    H2     A   6           H2         A   6  -9.048   3.964  13.790
   67   1H5*    G   7          1H5*        G   7  -7.715   7.601  18.391
   68   2H5*    G   7          2H5*        G   7  -8.134   7.199  20.069
   69    H4*    G   7           H4*        G   7  -9.210   5.713  18.376
   70    H3*    G   7           H3*        G   7  -7.203   4.348  20.198
   71    H2*    G   7           H2*        G   7  -8.051   2.286  19.217
   72   2HO*    G   7          2HO*        G   7 -10.274   3.267  19.078
   73    H1*    G   7           H1*        G   7  -7.928   3.242  16.664
   74    H8     G   7           H8         G   7  -4.897   4.667  18.446
   75    H1     G   7           H1         G   7  -4.373  -1.609  17.127
   76   1H2     G   7          2H2         G   7  -6.397  -2.437  16.660
   77   2H2     G   7          1H2         G   7  -7.798  -1.371  16.517
   78   1H5*    A   8          1H5*        A   8 -10.894   2.155  20.394
   79   2H5*    A   8          2H5*        A   8 -11.184   1.532  22.023
   80    H4*    A   8           H4*        A   8 -11.139  -0.209  20.196
   81    H3*    A   8           H3*        A   8  -9.188  -0.412  22.497
   82    H2*    A   8           H2*        A   8  -8.554  -2.582  21.574
   83   2HO*    A   8          2HO*        A   8 -10.926  -2.822  20.866
   84    H1*    A   8           H1*        A   8  -8.387  -1.690  18.997
   85    H8     A   8           H8         A   8  -7.006   1.273  20.800
   86   1H6     A   8          1H6         A   8  -1.630  -1.876  20.627
   87   2H6     A   8          2H6         A   8  -2.353  -0.281  20.780
   88    H2     A   8           H2         A   8  -4.928  -4.758  20.000
   89   1H5*    C   9          1H5*        C   9 -11.102  -4.105  22.236
   90   2H5*    C   9          2H5*        C   9 -11.689  -4.732  23.782
   91    H4*    C   9           H4*        C   9 -10.100  -6.260  22.539
   92    H3*    C   9           H3*        C   9 -10.223  -5.870  25.293
   93    H2*    C   9           H2*        C   9  -8.423  -4.324  25.374
   94   2HO*    C   9          2HO*        C   9  -6.523  -5.548  26.010
   95    H1*    C   9           H1*        C   9  -7.006  -6.064  23.325
   96   1H4     C   9          2H4         C   9  -2.671  -1.481  23.723
   97   2H4     C   9          1H4         C   9  -3.865  -0.182  23.789
   98    H5     C   9           H5         C   9  -6.300  -0.676  23.844
   99    H6     C   9           H6         C   9  -7.935  -2.456  23.726
  100    H3T    C   9           H3T        C   9  -8.482  -7.624  25.125
  101   1H5*    G  10          1H5*        G  10   6.734  -6.178  22.648
  102   2H5*    G  10          2H5*        G  10   6.748  -7.545  21.525
  103    H4*    G  10           H4*        G  10   5.459  -8.353  23.279
  104    H3*    G  10           H3*        G  10   3.497  -7.162  21.291
  105    H2*    G  10           H2*        G  10   1.749  -8.008  22.608
  106   2HO*    G  10          2HO*        G  10   3.058  -9.987  23.107
  107    H1*    G  10           H1*        G  10   2.833  -7.176  24.973
  108    H8     G  10           H8         G  10   3.918  -4.221  23.232
  109    H1     G  10           H1         G  10  -2.500  -4.356  23.658
  110   1H2     G  10          2H2         G  10  -3.180  -6.475  23.891
  111   2H2     G  10          1H2         G  10  -2.021  -7.789  24.104
  112    H5T    G  10           H5T        G  10   5.264  -6.548  20.240
  113   1H5*    U  11          1H5*        U  11   2.219 -10.926  20.620
  114   2H5*    U  11          2H5*        U  11   2.004 -11.223  18.887
  115    H4*    U  11           H4*        U  11  -0.142 -11.169  20.092
  116    H3*    U  11           H3*        U  11   0.313  -8.878  18.167
  117    H2*    U  11           H2*        U  11  -1.967  -8.230  18.631
  118   2HO*    U  11          2HO*        U  11  -2.600 -10.563  18.768
  119    H1*    U  11           H1*        U  11  -1.793  -8.568  21.317
  120    H3     U  11           H3         U  11  -2.086  -4.108  20.379
  121    H5     U  11           H5         U  11   2.017  -5.002  20.150
  122    H6     U  11           H6         U  11   1.464  -7.349  20.351
  123   1H5*    C  12          1H5*        C  12  -3.612 -10.561  17.220
  124   2H5*    C  12          2H5*        C  12  -3.807 -10.595  15.461
  125    H4*    C  12           H4*        C  12  -5.599  -9.309  16.705
  126    H3*    C  12           H3*        C  12  -3.912  -8.003  14.575
  127    H2*    C  12           H2*        C  12  -5.016  -5.974  14.927
  128   2HO*    C  12          2HO*        C  12  -7.131  -6.901  14.821
  129    H1*    C  12           H1*        C  12  -5.573  -6.307  17.657
  130   1H4     C  12          2H4         C  12  -1.514  -1.563  17.439
  131   2H4     C  12          1H4         C  12  -0.114  -2.637  17.485
  132    H5     C  12           H5         C  12  -0.397  -5.111  17.195
  133    H6     C  12           H6         C  12  -2.047  -6.879  17.039
  134   1H5*    G  13          1H5*        G  13  -5.842  -6.111  10.969
  135   2H5*    G  13          2H5*        G  13  -4.648  -6.055  12.265
  136    H4*    G  13           H4*        G  13  -7.194  -4.369  12.248
  137    H3*    G  13           H3*        G  13  -4.429  -3.879  11.132
  138    H2*    G  13           H2*        G  13  -4.559  -1.590  11.765
  139   2HO*    G  13          2HO*        G  13  -6.889  -1.414  11.249
  140    H1*    G  13           H1*        G  13  -5.424  -2.079  14.293
  141    H8     G  13           H8         G  13  -3.282  -5.040  13.382
  142    H1     G  13           H1         G  13   0.260   0.139  14.691
  143   1H2     G  13          1H2         G  13  -1.030   1.922  14.904
  144   2H2     G  13          2H2         G  13  -2.758   1.851  14.660
  145   1H5*    A  14          1H5*        A  14  -8.425  -2.056   9.385
  146   2H5*    A  14          2H5*        A  14  -8.122  -1.529   7.718
  147    H4*    A  14           H4*        A  14  -9.698  -0.050   8.971
  148    H3*    A  14           H3*        A  14  -7.067   1.208   8.218
  149    H2*    A  14           H2*        A  14  -8.133   3.327   8.773
  150   2HO*    A  14          2HO*        A  14 -10.451   2.276   8.374
  151    H1*    A  14           H1*        A  14  -8.762   2.335  11.219
  152    H8     A  14           H8         A  14  -5.651   0.401  10.642
  153   1H6     A  14          1H6         A  14  -2.622   5.734  11.753
  154   2H6     A  14          2H6         A  14  -2.387   3.996  11.558
  155    H2     A  14           H2         A  14  -6.812   6.704  10.924
  156   1H5*    A  15          1H5*        A  15  -8.638   3.930   4.449
  157   2H5*    A  15          2H5*        A  15  -7.509   3.388   5.705
  158    H4*    A  15           H4*        A  15  -9.128   5.976   5.810
  159    H3*    A  15           H3*        A  15  -6.310   5.328   4.934
  160    H2*    A  15           H2*        A  15  -5.520   7.369   5.914
  161   2HO*    A  15          2HO*        A  15  -7.680   8.397   5.277
  162    H1*    A  15           H1*        A  15  -6.802   7.044   8.282
  163    H8     A  15           H8         A  15  -6.209   3.497   7.556
  164   1H6     A  15          1H6         A  15  -0.163   4.414   8.623
  165   2H6     A  15          2H6         A  15  -1.403   3.188   8.318
  166    H2     A  15           H2         A  15  -2.126   8.351   8.573
  167   1H5*    G  16          1H5*        G  16  -6.038   9.199   4.032
  168   2H5*    G  16          2H5*        G  16  -5.505   9.409   2.354
  169    H4*    G  16           H4*        G  16  -3.959  10.460   3.974
  170    H3*    G  16           H3*        G  16  -2.895   8.132   2.361
  171    H2*    G  16           H2*        G  16  -0.734   8.602   3.331
  172   2HO*    G  16          2HO*        G  16  -1.301  10.991   3.256
  173    H1*    G  16           H1*        G  16  -1.659   8.910   5.879
  174    H8     G  16           H8         G  16  -3.817   6.128   4.625
  175    H1     G  16           H1         G  16   2.273   4.266   5.564
  176   1H2     G  16          2H2         G  16   3.609   6.070   5.572
  177   2H2     G  16          1H2         G  16   2.915   7.691   5.617
  178   1H5*    C  17          1H5*        C  17   0.019  11.214   1.850
  179   2H5*    C  17          2H5*        C  17   0.551  11.274   0.160
  180    H4*    C  17           H4*        C  17   2.408  10.874   1.786
  181    H3*    C  17           H3*        C  17   1.814   8.710  -0.247
  182    H2*    C  17           H2*        C  17   3.820   7.616   0.555
  183   2HO*    C  17          2HO*        C  17   4.778   9.879   0.912
  184    H1*    C  17           H1*        C  17   3.271   8.027   3.199
  185   1H4     C  17          2H4         C  17   1.110   2.208   2.321
  186   2H4     C  17          1H4         C  17  -0.522   2.814   2.049
  187    H5     C  17           H5         C  17  -0.949   5.226   1.621
  188    H6     C  17           H6         C  17   0.065   7.419   1.640
  189   1H5*    C  18          1H5*        C  18   5.996   9.528  -0.435
  190   2H5*    C  18          2H5*        C  18   6.555   9.710  -2.099
  191    H4*    C  18           H4*        C  18   7.803   8.006  -0.694
  192    H3*    C  18           H3*        C  18   7.228   7.882  -3.413
  193    H2*    C  18           H2*        C  18   5.344   6.459  -3.173
  194   2HO*    C  18          2HO*        C  18   6.120   4.266  -3.589
  195    H1*    C  18           H1*        C  18   6.903   4.949  -1.047
  196   1H4     C  18          2H4         C  18   1.539   1.641  -0.801
  197   2H4     C  18          1H4         C  18   0.499   3.065  -0.875
  198    H5     C  18           H5         C  18   1.469   5.348  -1.148
  199    H6     C  18           H6         C  18   3.548   6.581  -1.320
  200    H3T    C  18           H3T        C  18   8.598   5.846  -3.109
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   7.441  -7.148   2.060
    2   2H5*    G   1          2H5*        G   1   8.530  -6.850   3.423
    3    H4*    G   1           H4*        G   1   9.670  -5.913   1.623
    4    H3*    G   1           H3*        G   1   8.104  -3.650   2.912
    5    H2*    G   1           H2*        G   1   9.234  -2.161   1.482
    6   2HO*    G   1          2HO*        G   1  11.247  -3.491   1.594
    7    H1*    G   1           H1*        G   1   8.741  -3.642  -0.745
    8    H8     G   1           H8         G   1   5.633  -4.616   0.839
    9    H1     G   1           H1         G   1   5.542   1.648  -0.612
   10   1H2     G   1          2H2         G   1   7.645   2.402  -0.778
   11   2H2     G   1          1H2         G   1   9.019   1.300  -0.670
   12    H5T    G   1           H5T        G   1   7.252  -5.187   4.115
   13   1H5*    G   2          1H5*        G   2  11.706  -2.176   4.046
   14   2H5*    G   2          2H5*        G   2  11.649  -1.665   5.740
   15    H4*    G   2           H4*        G   2  11.987   0.220   4.188
   16    H3*    G   2           H3*        G   2   9.344   0.213   5.662
   17    H2*    G   2           H2*        G   2   9.000   2.409   4.724
   18   2HO*    G   2          2HO*        G   2  11.385   2.859   4.955
   19    H1*    G   2           H1*        G   2   9.808   1.727   2.210
   20    H8     G   2           H8         G   2   7.910  -1.288   3.382
   21    H1     G   2           H1         G   2   4.117   3.823   2.397
   22   1H2     G   2          2H2         G   2   5.396   5.673   2.288
   23   2H2     G   2          1H2         G   2   7.155   5.543   2.270
   24   1H5*    C   3          1H5*        C   3  11.079   4.138   6.303
   25   2H5*    C   3          2H5*        C   3  10.860   4.592   8.001
   26    H4*    C   3           H4*        C   3   9.942   6.267   6.386
   27    H3*    C   3           H3*        C   3   8.000   4.901   8.271
   28    H2*    C   3           H2*        C   3   6.370   6.478   7.461
   29   2HO*    C   3          2HO*        C   3   8.116   8.172   7.345
   30    H1*    C   3           H1*        C   3   7.082   6.236   4.825
   31   1H4     C   3          2H4         C   3   2.098   2.328   5.565
   32   2H4     C   3          1H4         C   3   3.221   1.016   5.831
   33    H5     C   3           H5         C   3   5.609   1.303   6.148
   34    H6     C   3           H6         C   3   7.416   2.897   6.127
   35   1H5*    U   4          1H5*        U   4   6.654   8.674   8.921
   36   2H5*    U   4          2H5*        U   4   6.412   8.926  10.660
   37    H4*    U   4           H4*        U   4   4.280   9.074   9.425
   38    H3*    U   4           H3*        U   4   4.516   6.556  11.082
   39    H2*    U   4           H2*        U   4   2.162   6.272  10.731
   40   2HO*    U   4          2HO*        U   4   1.539   8.543  10.620
   41    H1*    U   4           H1*        U   4   2.480   6.656   8.053
   42    H3     U   4           H3         U   4   1.789   2.183   8.941
   43    H5     U   4           H5         U   4   5.919   2.761   9.418
   44    H6     U   4           H6         U   4   5.580   5.136   9.177
   45   1H5*    A   5          1H5*        A   5   0.993   8.806  14.287
   46   2H5*    A   5          2H5*        A   5   1.845   7.436  13.546
   47    H4*    A   5           H4*        A   5  -0.951   8.380  12.761
   48    H3*    A   5           H3*        A   5   0.049   6.097  14.490
   49    H2*    A   5           H2*        A   5  -1.838   4.810  13.757
   50   2HO*    A   5          2HO*        A   5  -3.366   6.580  13.739
   51    H1*    A   5           H1*        A   5  -1.494   5.446  11.113
   52    H8     A   5           H8         A   5   1.914   5.262  12.828
   53   1H6     A   5          1H6         A   5   1.658  -0.833  11.636
   54   2H6     A   5          2H6         A   5   2.732   0.474  12.123
   55    H2     A   5           H2         A   5  -2.289   0.858  10.744
   56   1H5*    A   6          1H5*        A   6  -4.003   8.377  14.947
   57   2H5*    A   6          2H5*        A   6  -4.591   8.186  16.611
   58    H4*    A   6           H4*        A   6  -6.406   8.218  14.880
   59    H3*    A   6           H3*        A   6  -6.077   5.715  16.555
   60    H2*    A   6           H2*        A   6  -8.114   4.948  15.516
   61   2HO*    A   6          2HO*        A   6  -8.934   7.256  15.577
   62    H1*    A   6           H1*        A   6  -7.415   5.733  12.982
   63    H8     A   6           H8         A   6  -4.234   4.359  14.442
   64   1H6     A   6          1H6         A   6  -6.626  -1.251  13.145
   65   2H6     A   6          2H6         A   6  -5.145  -0.434  13.635
   66    H2     A   6           H2         A   6  -9.860   1.691  12.820
   67   1H5*    G   7          1H5*        G   7 -10.020   5.790  17.077
   68   2H5*    G   7          2H5*        G   7 -10.405   5.492  18.783
   69    H4*    G   7           H4*        G   7 -11.223   3.676  17.333
   70    H3*    G   7           H3*        G   7  -8.976   2.901  19.211
   71    H2*    G   7           H2*        G   7  -9.327   0.621  18.442
   72   2HO*    G   7          2HO*        G   7 -11.721   1.112  18.220
   73    H1*    G   7           H1*        G   7  -9.347   1.273  15.814
   74    H8     G   7           H8         G   7  -6.883   3.718  17.313
   75    H1     G   7           H1         G   7  -4.578  -2.273  16.985
   76   1H2     G   7          2H2         G   7  -6.241  -3.694  16.580
   77   2H2     G   7          1H2         G   7  -7.879  -3.116  16.263
   78   1H5*    A   8          1H5*        A   8 -11.980  -0.091  19.641
   79   2H5*    A   8          2H5*        A   8 -12.173  -0.562  21.334
   80    H4*    A   8           H4*        A   8 -11.601  -2.445  19.756
   81    H3*    A   8           H3*        A   8  -9.774  -1.835  22.086
   82    H2*    A   8           H2*        A   8  -8.540  -3.847  21.469
   83   2HO*    A   8          2HO*        A   8 -10.730  -4.802  20.771
   84    H1*    A   8           H1*        A   8  -8.491  -3.283  18.798
   85    H8     A   8           H8         A   8  -8.044   0.159  20.142
   86   1H6     A   8          1H6         A   8  -2.020  -1.387  20.490
   87   2H6     A   8          2H6         A   8  -3.159  -0.052  20.389
   88    H2     A   8           H2         A   8  -4.385  -5.128  20.298
   89   1H5*    C   9          1H5*        C   9 -10.619  -5.908  22.307
   90   2H5*    C   9          2H5*        C   9 -11.103  -6.461  23.916
   91    H4*    C   9           H4*        C   9  -9.097  -7.651  22.941
   92    H3*    C   9           H3*        C   9  -9.465  -6.927  25.605
   93    H2*    C   9           H2*        C   9  -8.156  -4.950  25.475
   94   2HO*    C   9          2HO*        C   9  -6.045  -5.491  26.324
   95    H1*    C   9           H1*        C   9  -6.216  -6.506  23.729
   96   1H4     C   9          2H4         C   9  -3.299  -0.901  23.491
   97   2H4     C   9          1H4         C   9  -4.801   0.020  23.377
   98    H5     C   9           H5         C   9  -7.012  -1.109  23.484
   99    H6     C   9           H6         C   9  -8.101  -3.267  23.599
  100    H3T    C   9           H3T        C   9  -7.309  -8.140  25.724
  101   1H5*    G  10          1H5*        G  10   7.038  -2.736  23.299
  102   2H5*    G  10          2H5*        G  10   7.539  -4.077  22.259
  103    H4*    G  10           H4*        G  10   6.442  -5.169  23.989
  104    H3*    G  10           H3*        G  10   4.354  -4.723  21.830
  105    H2*    G  10           H2*        G  10   2.847  -5.993  23.109
  106   2HO*    G  10          2HO*        G  10   4.641  -7.459  23.815
  107    H1*    G  10           H1*        G  10   3.436  -4.743  25.452
  108    H8     G  10           H8         G  10   3.800  -1.733  23.464
  109    H1     G  10           H1         G  10  -2.349  -3.612  23.734
  110   1H2     G  10          2H2         G  10  -2.434  -5.805  24.175
  111   2H2     G  10          1H2         G  10  -0.968  -6.727  24.516
  112    H5T    G  10           H5T        G  10   5.916  -3.632  20.844
  113   1H5*    U  11          1H5*        U  11   4.409  -8.762  21.292
  114   2H5*    U  11          2H5*        U  11   4.385  -9.159  19.566
  115    H4*    U  11           H4*        U  11   2.275  -9.751  20.690
  116    H3*    U  11           H3*        U  11   2.065  -7.487  18.690
  117    H2*    U  11           H2*        U  11  -0.325  -7.629  19.037
  118   2HO*    U  11          2HO*        U  11  -0.185 -10.022  19.248
  119    H1*    U  11           H1*        U  11  -0.174  -7.777  21.737
  120    H3     U  11           H3         U  11  -1.840  -3.700  20.470
  121    H5     U  11           H5         U  11   2.337  -3.232  20.416
  122    H6     U  11           H6         U  11   2.559  -5.612  20.791
  123   1H5*    C  12          1H5*        C  12  -0.999 -10.423  17.609
  124   2H5*    C  12          2H5*        C  12  -1.163 -10.465  15.847
  125    H4*    C  12           H4*        C  12  -3.274  -9.895  17.116
  126    H3*    C  12           H3*        C  12  -2.188  -7.938  15.079
  127    H2*    C  12           H2*        C  12  -4.183  -6.643  15.453
  128   2HO*    C  12          2HO*        C  12  -5.406  -8.766  15.684
  129    H1*    C  12           H1*        C  12  -4.205  -6.961  18.188
  130   1H4     C  12          2H4         C  12  -1.805  -1.266  17.280
  131   2H4     C  12          1H4         C  12  -0.143  -1.863  17.342
  132    H5     C  12           H5         C  12   0.322  -4.327  17.280
  133    H6     C  12           H6         C  12  -0.725  -6.505  17.349
  134   1H5*    G  13          1H5*        G  13  -6.164  -7.652  14.007
  135   2H5*    G  13          2H5*        G  13  -6.259  -7.789  12.245
  136    H4*    G  13           H4*        G  13  -7.099  -5.621  12.968
  137    H3*    G  13           H3*        G  13  -4.468  -5.525  11.480
  138    H2*    G  13           H2*        G  13  -4.666  -3.146  11.470
  139   2HO*    G  13          2HO*        G  13  -6.995  -3.154  11.075
  140    H1*    G  13           H1*        G  13  -5.427  -2.958  14.108
  141    H8     G  13           H8         G  13  -2.897  -5.777  13.493
  142    H1     G  13           H1         G  13  -0.182  -0.021  14.329
  143   1H2     G  13          1H2         G  13  -1.742   1.556  14.462
  144   2H2     G  13          2H2         G  13  -3.438   1.199  14.278
  145   1H5*    A  14          1H5*        A  14  -6.868  -2.935   7.159
  146   2H5*    A  14          2H5*        A  14  -5.944  -2.051   8.397
  147    H4*    A  14           H4*        A  14  -8.992  -2.123   8.159
  148    H3*    A  14           H3*        A  14  -6.901  -0.122   7.288
  149    H2*    A  14           H2*        A  14  -8.359   1.676   7.921
  150   2HO*    A  14          2HO*        A  14 -10.253   0.276   7.191
  151    H1*    A  14           H1*        A  14  -9.020   0.641  10.347
  152    H8     A  14           H8         A  14  -5.551  -0.615  10.250
  153   1H6     A  14          1H6         A  14  -3.757   5.242  11.345
  154   2H6     A  14          2H6         A  14  -3.190   3.574  11.242
  155    H2     A  14           H2         A  14  -7.963   5.333  10.042
  156   1H5*    A  15          1H5*        A  15  -9.823   2.136   5.768
  157   2H5*    A  15          2H5*        A  15  -9.454   2.472   4.066
  158    H4*    A  15           H4*        A  15  -9.598   4.547   5.354
  159    H3*    A  15           H3*        A  15  -6.845   3.830   4.326
  160    H2*    A  15           H2*        A  15  -6.090   5.961   5.166
  161   2HO*    A  15          2HO*        A  15  -8.280   6.892   4.542
  162    H1*    A  15           H1*        A  15  -7.333   5.761   7.577
  163    H8     A  15           H8         A  15  -6.329   2.237   6.932
  164   1H6     A  15          1H6         A  15  -0.545   3.938   8.454
  165   2H6     A  15          2H6         A  15  -1.581   2.550   8.088
  166    H2     A  15           H2         A  15  -2.964   7.585   8.098
  167   1H5*    G  16          1H5*        G  16  -7.054   7.872   3.228
  168   2H5*    G  16          2H5*        G  16  -6.463   8.047   1.567
  169    H4*    G  16           H4*        G  16  -5.151   9.373   3.204
  170    H3*    G  16           H3*        G  16  -3.712   7.137   1.761
  171    H2*    G  16           H2*        G  16  -1.681   7.974   2.782
  172   2HO*    G  16          2HO*        G  16  -2.525  10.243   2.558
  173    H1*    G  16           H1*        G  16  -2.761   8.248   5.268
  174    H8     G  16           H8         G  16  -4.384   5.121   3.922
  175    H1     G  16           H1         G  16   1.753   4.262   5.652
  176   1H2     G  16          1H2         G  16   2.779   6.046   5.671
  177   2H2     G  16          2H2         G  16   2.148   7.608   5.442
  178   1H5*    C  17          1H5*        C  17  -1.403  10.790   1.188
  179   2H5*    C  17          2H5*        C  17  -0.759  10.845  -0.461
  180    H4*    C  17           H4*        C  17   0.990  11.008   1.331
  181    H3*    C  17           H3*        C  17   1.095   8.655  -0.573
  182    H2*    C  17           H2*        C  17   3.230   8.128   0.442
  183   2HO*    C  17          2HO*        C  17   3.590  10.571   0.690
  184    H1*    C  17           H1*        C  17   2.375   8.548   3.008
  185   1H4     C  17          2H4         C  17   1.781   2.339   2.434
  186   2H4     C  17          1H4         C  17   0.073   2.495   2.026
  187    H5     C  17           H5         C  17  -0.892   4.701   1.372
  188    H6     C  17           H6         C  17  -0.441   7.073   1.274
  189   1H5*    C  18          1H5*        C  18   4.974  10.456  -0.539
  190   2H5*    C  18          2H5*        C  18   5.574  10.716  -2.179
  191    H4*    C  18           H4*        C  18   7.132   9.450  -0.638
  192    H3*    C  18           H3*        C  18   6.755   9.059  -3.366
  193    H2*    C  18           H2*        C  18   5.282   7.213  -3.120
  194   2HO*    C  18          2HO*        C  18   6.603   5.278  -3.388
  195    H1*    C  18           H1*        C  18   7.062   6.254  -0.853
  196   1H4     C  18          2H4         C  18   2.703   1.704  -0.553
  197   2H4     C  18          1H4         C  18   1.343   2.810  -0.756
  198    H5     C  18           H5         C  18   1.717   5.242  -1.170
  199    H6     C  18           H6         C  18   3.423   6.953  -1.359
  200    H3T    C  18           H3T        C  18   8.578   7.459  -2.893
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   3.878  -9.159  -0.176
    2   2H5*    G   1          2H5*        G   1   4.562  -9.190   1.457
    3    H4*    G   1           H4*        G   1   6.207  -8.231   0.003
    4    H3*    G   1           H3*        G   1   4.828  -6.085   1.642
    5    H2*    G   1           H2*        G   1   6.478  -4.566   0.800
    6   2HO*    G   1          2HO*        G   1   8.166  -6.287   0.849
    7    H1*    G   1           H1*        G   1   6.184  -5.389  -1.784
    8    H8     G   1           H8         G   1   2.696  -5.771  -0.519
    9    H1     G   1           H1         G   1   4.375   0.407  -1.183
   10   1H2     G   1          2H2         G   1   6.602   0.556  -1.393
   11   2H2     G   1          1H2         G   1   7.609  -0.892  -1.431
   12    H5T    G   1           H5T        G   1   3.306  -7.422   2.001
   13   1H5*    G   2          1H5*        G   2   8.891  -5.525   2.582
   14   2H5*    G   2          2H5*        G   2   9.059  -5.159   4.308
   15    H4*    G   2           H4*        G   2   9.985  -3.389   2.822
   16    H3*    G   2           H3*        G   2   7.642  -2.630   4.582
   17    H2*    G   2           H2*        G   2   8.012  -0.359   3.837
   18   2HO*    G   2          2HO*        G   2  10.409  -0.773   3.807
   19    H1*    G   2           H1*        G   2   8.282  -1.016   1.210
   20    H8     G   2           H8         G   2   5.575  -3.321   2.498
   21    H1     G   2           H1         G   2   3.685   2.809   1.976
   22   1H2     G   2          2H2         G   2   5.513   4.129   1.805
   23   2H2     G   2          1H2         G   2   7.118   3.410   1.658
   24   1H5*    C   3          1H5*        C   3  10.713   0.375   5.277
   25   2H5*    C   3          2H5*        C   3  10.763   0.764   7.004
   26    H4*    C   3           H4*        C   3  10.375   2.748   5.519
   27    H3*    C   3           H3*        C   3   8.209   2.024   7.515
   28    H2*    C   3           H2*        C   3   7.172   4.107   6.879
   29   2HO*    C   3          2HO*        C   3   9.388   5.103   6.675
   30    H1*    C   3           H1*        C   3   7.595   3.778   4.192
   31   1H4     C   3          2H4         C   3   1.614   1.823   5.211
   32   2H4     C   3          1H4         C   3   2.219   0.193   5.375
   33    H5     C   3           H5         C   3   4.569  -0.382   5.567
   34    H6     C   3           H6         C   3   6.816   0.479   5.449
   35   1H5*    U   4          1H5*        U   4   8.191   5.977   8.328
   36   2H5*    U   4          2H5*        U   4   8.175   6.218  10.084
   37    H4*    U   4           H4*        U   4   6.115   7.090   9.054
   38    H3*    U   4           H3*        U   4   5.666   4.543  10.619
   39    H2*    U   4           H2*        U   4   3.325   5.034  10.493
   40   2HO*    U   4          2HO*        U   4   3.462   7.390  10.514
   41    H1*    U   4           H1*        U   4   3.526   5.454   7.804
   42    H3     U   4           H3         U   4   1.522   1.381   8.634
   43    H5     U   4           H5         U   4   5.642   0.607   8.808
   44    H6     U   4           H6         U   4   6.062   2.973   8.605
   45   1H5*    A   5          1H5*        A   5   3.473   7.529  14.254
   46   2H5*    A   5          2H5*        A   5   3.654   6.035  13.313
   47    H4*    A   5           H4*        A   5   1.309   7.976  13.081
   48    H3*    A   5           H3*        A   5   1.654   5.294  14.462
   49    H2*    A   5           H2*        A   5  -0.676   4.888  14.047
   50   2HO*    A   5          2HO*        A   5  -1.362   7.106  14.422
   51    H1*    A   5           H1*        A   5  -0.524   5.665  11.420
   52    H8     A   5           H8         A   5   2.771   4.047  12.439
   53   1H6     A   5          1H6         A   5   0.089  -1.277  10.683
   54   2H6     A   5          2H6         A   5   1.640  -0.524  11.034
   55    H2     A   5           H2         A   5  -3.061   1.743  11.004
   56   1H5*    A   6          1H5*        A   6  -1.095   8.809  15.962
   57   2H5*    A   6          2H5*        A   6  -1.429   8.564  17.689
   58    H4*    A   6           H4*        A   6  -3.361   9.513  16.415
   59    H3*    A   6           H3*        A   6  -3.720   6.794  17.699
   60    H2*    A   6           H2*        A   6  -6.045   6.972  17.049
   61   2HO*    A   6          2HO*        A   6  -5.935   9.372  17.483
   62    H1*    A   6           H1*        A   6  -5.516   7.784  14.504
   63    H8     A   6           H8         A   6  -2.750   5.344  15.242
   64   1H6     A   6          1H6         A   6  -6.903   0.896  14.025
   65   2H6     A   6          2H6         A   6  -5.190   1.216  14.280
   66    H2     A   6           H2         A   6  -9.111   4.674  14.568
   67   1H5*    G   7          1H5*        G   7  -7.119   7.851  19.074
   68   2H5*    G   7          2H5*        G   7  -7.290   7.410  20.785
   69    H4*    G   7           H4*        G   7  -8.808   6.118  19.308
   70    H3*    G   7           H3*        G   7  -6.654   4.504  20.700
   71    H2*    G   7           H2*        G   7  -7.777   2.545  19.796
   72   2HO*    G   7          2HO*        G   7  -9.922   3.702  20.036
   73    H1*    G   7           H1*        G   7  -7.970   3.545  17.284
   74    H8     G   7           H8         G   7  -4.683   4.917  18.559
   75    H1     G   7           H1         G   7  -4.451  -1.379  17.263
   76   1H2     G   7          2H2         G   7  -6.512  -2.155  16.949
   77   2H2     G   7          1H2         G   7  -7.908  -1.074  16.974
   78   1H5*    A   8          1H5*        A   8 -10.397   2.511  21.359
   79   2H5*    A   8          2H5*        A   8 -10.488   1.830  22.987
   80    H4*    A   8           H4*        A   8 -10.787   0.181  21.087
   81    H3*    A   8           H3*        A   8  -8.601  -0.235  23.131
   82    H2*    A   8           H2*        A   8  -8.191  -2.385  22.051
   83   2HO*    A   8          2HO*        A   8 -10.641  -2.469  21.614
   84    H1*    A   8           H1*        A   8  -8.268  -1.392  19.511
   85    H8     A   8           H8         A   8  -6.545   1.434  21.220
   86   1H6     A   8          1H6         A   8  -1.381  -1.940  20.361
   87   2H6     A   8          2H6         A   8  -2.015  -0.326  20.643
   88    H2     A   8           H2         A   8  -4.866  -4.656  20.008
   89   1H5*    C   9          1H5*        C   9 -10.744  -3.813  22.940
   90   2H5*    C   9          2H5*        C   9 -11.188  -4.479  24.518
   91    H4*    C   9           H4*        C   9  -9.837  -6.030  23.047
   92    H3*    C   9           H3*        C   9  -9.618  -5.751  25.808
   93    H2*    C   9           H2*        C   9  -7.747  -4.291  25.733
   94   2HO*    C   9          2HO*        C   9  -5.857  -5.612  26.119
   95    H1*    C   9           H1*        C   9  -6.660  -6.011  23.476
   96   1H4     C   9          2H4         C   9  -2.086  -1.644  23.563
   97   2H4     C   9          1H4         C   9  -3.197  -0.300  23.842
   98    H5     C   9           H5         C   9  -5.631  -0.690  24.154
   99    H6     C   9           H6         C   9  -7.356  -2.385  24.137
  100    H3T    C   9           H3T        C   9  -7.999  -7.574  25.377
  101   1H5*    G  10          1H5*        G  10   6.991  -6.498  21.594
  102   2H5*    G  10          2H5*        G  10   6.930  -7.707  20.304
  103    H4*    G  10           H4*        G  10   5.701  -8.717  21.993
  104    H3*    G  10           H3*        G  10   3.683  -7.257  20.255
  105    H2*    G  10           H2*        G  10   1.968  -8.220  21.537
  106   2HO*    G  10          2HO*        G  10   3.243 -10.269  21.751
  107    H1*    G  10           H1*        G  10   3.140  -7.669  23.929
  108    H8     G  10           H8         G  10   4.301  -4.604  22.384
  109    H1     G  10           H1         G  10  -2.076  -4.506  23.239
  110   1H2     G  10          2H2         G  10  -2.840  -6.608  23.352
  111   2H2     G  10          1H2         G  10  -1.735  -7.985  23.330
  112    H5T    G  10           H5T        G  10   5.417  -6.531  19.225
  113   1H5*    U  11          1H5*        U  11   2.340 -10.924  19.149
  114   2H5*    U  11          2H5*        U  11   2.057 -10.982  17.402
  115    H4*    U  11           H4*        U  11  -0.040 -11.086  18.682
  116    H3*    U  11           H3*        U  11   0.352  -8.536  17.097
  117    H2*    U  11           H2*        U  11  -1.921  -7.998  17.722
  118   2HO*    U  11          2HO*        U  11  -2.565 -10.302  17.537
  119    H1*    U  11           H1*        U  11  -1.632  -8.692  20.323
  120    H3     U  11           H3         U  11  -1.977  -4.140  19.953
  121    H5     U  11           H5         U  11   2.110  -4.966  19.411
  122    H6     U  11           H6         U  11   1.580  -7.327  19.379
  123   1H5*    C  12          1H5*        C  12  -3.569 -10.179  15.968
  124   2H5*    C  12          2H5*        C  12  -3.862  -9.829  14.258
  125    H4*    C  12           H4*        C  12  -5.598  -8.920  15.849
  126    H3*    C  12           H3*        C  12  -4.084  -6.997  14.068
  127    H2*    C  12           H2*        C  12  -5.565  -5.283  14.893
  128   2HO*    C  12          2HO*        C  12  -7.360  -6.967  14.902
  129    H1*    C  12           H1*        C  12  -5.504  -6.128  17.515
  130   1H4     C  12          2H4         C  12  -1.516  -1.308  17.264
  131   2H4     C  12          1H4         C  12  -0.129  -2.359  16.953
  132    H5     C  12           H5         C  12  -0.464  -4.783  16.425
  133    H6     C  12           H6         C  12  -2.124  -6.534  16.283
  134   1H5*    G  13          1H5*        G  13  -7.906  -5.471  13.534
  135   2H5*    G  13          2H5*        G  13  -8.159  -5.211  11.803
  136    H4*    G  13           H4*        G  13  -8.353  -3.113  13.027
  137    H3*    G  13           H3*        G  13  -5.917  -3.305  11.239
  138    H2*    G  13           H2*        G  13  -5.556  -0.976  11.698
  139   2HO*    G  13          2HO*        G  13  -7.893  -0.475  11.667
  140    H1*    G  13           H1*        G  13  -5.959  -1.216  14.400
  141    H8     G  13           H8         G  13  -4.317  -4.368  12.971
  142    H1     G  13           H1         G  13  -0.115   0.240  14.486
  143   1H2     G  13          1H2         G  13  -1.176   2.110  15.037
  144   2H2     G  13          2H2         G  13  -2.910   2.250  14.918
  145   1H5*    A  14          1H5*        A  14  -8.623   0.500   7.886
  146   2H5*    A  14          2H5*        A  14  -7.323   1.106   8.939
  147    H4*    A  14           H4*        A  14 -10.331   1.326   9.436
  148    H3*    A  14           H3*        A  14  -8.233   3.264   8.482
  149    H2*    A  14           H2*        A  14  -9.063   4.999   9.844
  150   2HO*    A  14          2HO*        A  14 -11.366   4.421   9.567
  151    H1*    A  14           H1*        A  14  -9.221   3.593  12.104
  152    H8     A  14           H8         A  14  -6.507   1.559  11.021
  153   1H6     A  14          1H6         A  14  -2.685   6.324  12.101
  154   2H6     A  14          2H6         A  14  -2.771   4.586  11.803
  155    H2     A  14           H2         A  14  -6.789   7.927  11.704
  156   1H5*    A  15          1H5*        A  15  -8.872   5.967   5.565
  157   2H5*    A  15          2H5*        A  15  -7.897   4.997   6.695
  158    H4*    A  15           H4*        A  15  -8.553   7.960   7.061
  159    H3*    A  15           H3*        A  15  -6.214   6.577   5.750
  160    H2*    A  15           H2*        A  15  -4.734   8.236   6.665
  161   2HO*    A  15          2HO*        A  15  -6.570   9.876   6.384
  162    H1*    A  15           H1*        A  15  -5.731   8.131   9.186
  163    H8     A  15           H8         A  15  -6.329   4.625   8.411
  164   1H6     A  15          1H6         A  15  -0.160   3.723   8.436
  165   2H6     A  15          2H6         A  15  -1.715   2.886   8.295
  166    H2     A  15           H2         A  15  -0.883   8.021   8.750
  167   1H5*    G  16          1H5*        G  16  -5.149  10.414   4.912
  168   2H5*    G  16          2H5*        G  16  -4.796  10.596   3.185
  169    H4*    G  16           H4*        G  16  -2.864  11.198   4.612
  170    H3*    G  16           H3*        G  16  -2.558   8.780   2.820
  171    H2*    G  16           H2*        G  16  -0.235   8.730   3.490
  172   2HO*    G  16          2HO*        G  16  -0.234  11.167   3.553
  173    H1*    G  16           H1*        G  16  -0.751   9.065   6.146
  174    H8     G  16           H8         G  16  -3.617   6.906   5.042
  175    H1     G  16           H1         G  16   1.979   3.738   5.319
  176   1H2     G  16          1H2         G  16   3.579   5.039   5.270
  177   2H2     G  16          2H2         G  16   3.534   6.739   5.301
  178   1H5*    C  17          1H5*        C  17   0.846  11.379   2.033
  179   2H5*    C  17          2H5*        C  17   1.116  11.452   0.284
  180    H4*    C  17           H4*        C  17   3.138  10.749   1.561
  181    H3*    C  17           H3*        C  17   1.925   8.753  -0.368
  182    H2*    C  17           H2*        C  17   3.882   7.398   0.032
  183   2HO*    C  17          2HO*        C  17   5.199   9.460   0.172
  184    H1*    C  17           H1*        C  17   3.888   7.823   2.754
  185   1H4     C  17          2H4         C  17   1.048   2.247   2.098
  186   2H4     C  17          1H4         C  17  -0.544   3.002   2.049
  187    H5     C  17           H5         C  17  -0.797   5.465   1.788
  188    H6     C  17           H6         C  17   0.409   7.558   1.745
  189   1H5*    C  18          1H5*        C  18   6.209   9.121  -1.423
  190   2H5*    C  18          2H5*        C  18   6.280   9.253  -3.189
  191    H4*    C  18           H4*        C  18   7.717   7.422  -2.418
  192    H3*    C  18           H3*        C  18   5.199   6.491  -3.859
  193    H2*    C  18           H2*        C  18   6.167   4.313  -3.840
  194   2HO*    C  18          2HO*        C  18   8.355   5.315  -4.241
  195    H1*    C  18           H1*        C  18   7.108   4.548  -1.228
  196   1H4     C  18          2H4         C  18   1.729   1.268  -0.821
  197   2H4     C  18          1H4         C  18   0.731   2.721  -0.874
  198    H5     C  18           H5         C  18   1.729   4.949  -1.365
  199    H6     C  18           H6         C  18   3.812   6.118  -1.739
  200    H3T    C  18           H3T        C  18   6.578   7.771  -5.123
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   5.357  -8.341   2.153
    2   2H5*    G   1          2H5*        G   1   6.529  -8.253   3.476
    3    H4*    G   1           H4*        G   1   7.758  -7.540   1.631
    4    H3*    G   1           H3*        G   1   6.691  -5.029   2.972
    5    H2*    G   1           H2*        G   1   8.022  -3.771   1.492
    6   2HO*    G   1          2HO*        G   1   9.758  -5.450   1.536
    7    H1*    G   1           H1*        G   1   7.182  -5.129  -0.709
    8    H8     G   1           H8         G   1   4.013  -5.501   1.024
    9    H1     G   1           H1         G   1   5.027   0.651  -0.550
   10   1H2     G   1          2H2         G   1   7.224   0.995  -0.824
   11   2H2     G   1          1H2         G   1   8.373  -0.342  -0.744
   12    H5T    G   1           H5T        G   1   5.606  -6.388   4.208
   13   1H5*    G   2          1H5*        G   2  10.568  -4.303   4.024
   14   2H5*    G   2          2H5*        G   2  10.643  -3.765   5.710
   15    H4*    G   2           H4*        G   2  11.299  -2.007   4.105
   16    H3*    G   2           H3*        G   2   8.749  -1.476   5.646
   17    H2*    G   2           H2*        G   2   8.816   0.731   4.668
   18   2HO*    G   2          2HO*        G   2  11.244   0.714   4.832
   19    H1*    G   2           H1*        G   2   9.401  -0.141   2.150
   20    H8     G   2           H8         G   2   6.977  -2.697   3.451
   21    H1     G   2           H1         G   2   4.249   3.049   2.446
   22   1H2     G   2          2H2         G   2   5.870   4.599   2.217
   23   2H2     G   2          1H2         G   2   7.564   4.114   2.140
   24   1H5*    C   3          1H5*        C   3  11.270   2.020   6.181
   25   2H5*    C   3          2H5*        C   3  11.165   2.569   7.862
   26    H4*    C   3           H4*        C   3  10.579   4.326   6.163
   27    H3*    C   3           H3*        C   3   8.454   3.483   8.155
   28    H2*    C   3           H2*        C   3   7.149   5.310   7.276
   29   2HO*    C   3          2HO*        C   3   9.210   6.597   7.028
   30    H1*    C   3           H1*        C   3   7.723   4.788   4.654
   31   1H4     C   3          2H4         C   3   2.071   2.053   5.724
   32   2H4     C   3          1H4         C   3   2.908   0.542   5.980
   33    H5     C   3           H5         C   3   5.312   0.336   6.249
   34    H6     C   3           H6         C   3   7.409   1.517   6.111
   35   1H5*    U   4          1H5*        U   4   7.707   7.382   8.527
   36   2H5*    U   4          2H5*        U   4   7.596   7.810  10.244
   37    H4*    U   4           H4*        U   4   5.438   8.157   9.086
   38    H3*    U   4           H3*        U   4   5.506   5.929  11.130
   39    H2*    U   4           H2*        U   4   3.150   5.700  10.819
   40   2HO*    U   4          2HO*        U   4   2.415   7.771  10.670
   41    H1*    U   4           H1*        U   4   3.237   5.949   8.086
   42    H3     U   4           H3         U   4   1.980   1.678   9.258
   43    H5     U   4           H5         U   4   6.173   1.662   9.474
   44    H6     U   4           H6         U   4   6.168   4.047   9.083
   45   1H5*    A   5          1H5*        A   5   2.298   9.092  11.957
   46   2H5*    A   5          2H5*        A   5   2.125   9.226  13.716
   47    H4*    A   5           H4*        A   5  -0.050   8.829  12.576
   48    H3*    A   5           H3*        A   5   0.930   6.617  14.405
   49    H2*    A   5           H2*        A   5  -1.239   5.621  14.122
   50   2HO*    A   5          2HO*        A   5  -2.414   7.663  14.140
   51    H1*    A   5           H1*        A   5  -1.257   5.993  11.394
   52    H8     A   5           H8         A   5   2.256   5.181  12.763
   53   1H6     A   5          1H6         A   5   0.755  -0.698  11.461
   54   2H6     A   5          2H6         A   5   2.098   0.371  11.846
   55    H2     A   5           H2         A   5  -2.914   1.684  11.195
   56   1H5*    A   6          1H5*        A   6  -3.364   7.929  17.878
   57   2H5*    A   6          2H5*        A   6  -3.421   6.463  16.876
   58    H4*    A   6           H4*        A   6  -4.859   9.106  16.330
   59    H3*    A   6           H3*        A   6  -5.744   6.397  17.337
   60    H2*    A   6           H2*        A   6  -7.795   6.584  16.130
   61   2HO*    A   6          2HO*        A   6  -7.750   9.007  16.542
   62    H1*    A   6           H1*        A   6  -6.635   7.252  13.789
   63    H8     A   6           H8         A   6  -3.780   5.300  14.981
   64   1H6     A   6          1H6         A   6  -7.021   0.204  13.605
   65   2H6     A   6          2H6         A   6  -5.422   0.803  14.032
   66    H2     A   6           H2         A   6  -9.859   3.572  13.773
   67   1H5*    G   7          1H5*        G   7  -8.858   7.090  18.432
   68   2H5*    G   7          2H5*        G   7  -9.231   6.588  20.093
   69    H4*    G   7           H4*        G   7 -10.181   5.087  18.327
   70    H3*    G   7           H3*        G   7  -8.110   3.842  20.159
   71    H2*    G   7           H2*        G   7  -8.726   1.742  19.098
   72   2HO*    G   7          2HO*        G   7 -11.030   2.527  18.919
   73    H1*    G   7           H1*        G   7  -8.639   2.764  16.572
   74    H8     G   7           H8         G   7  -5.802   4.477  18.388
   75    H1     G   7           H1         G   7  -4.623  -1.721  17.098
   76   1H2     G   7          2H2         G   7  -6.512  -2.727  16.475
   77   2H2     G   7          1H2         G   7  -8.011  -1.810  16.305
   78   1H5*    A   8          1H5*        A   8 -11.600   1.314  20.145
   79   2H5*    A   8          2H5*        A   8 -11.886   0.614  21.742
   80    H4*    A   8           H4*        A   8 -11.608  -1.057  19.864
   81    H3*    A   8           H3*        A   8  -9.737  -1.140  22.239
   82    H2*    A   8           H2*        A   8  -8.866  -3.200  21.300
   83   2HO*    A   8          2HO*        A   8 -11.144  -3.722  20.542
   84    H1*    A   8           H1*        A   8  -8.706  -2.251  18.740
   85    H8     A   8           H8         A   8  -7.652   0.721  20.784
   86   1H6     A   8          1H6         A   8  -2.013  -1.942  20.655
   87   2H6     A   8          2H6         A   8  -2.882  -0.439  20.938
   88    H2     A   8           H2         A   8  -4.994  -5.001  19.526
   89   1H5*    C   9          1H5*        C   9 -11.348  -5.130  21.911
   90   2H5*    C   9          2H5*        C   9 -11.742  -5.751  23.527
   91    H4*    C   9           H4*        C   9 -10.088  -7.195  22.361
   92    H3*    C   9           H3*        C   9  -9.058  -5.682  24.789
   93    H2*    C   9           H2*        C   9  -7.026  -6.895  24.573
   94   2HO*    C   9          2HO*        C   9  -6.845  -8.628  23.066
   95    H1*    C   9           H1*        C   9  -6.951  -6.694  21.794
   96   1H4     C   9          2H4         C   9  -3.045  -2.182  23.748
   97   2H4     C   9          1H4         C   9  -4.360  -1.041  24.033
   98    H5     C   9           H5         C   9  -6.734  -1.751  23.883
   99    H6     C   9           H6         C   9  -8.185  -3.595  23.334
  100    H3T    C   9           H3T        C   9  -9.490  -8.439  24.530
  101   1H5*    G  10          1H5*        G  10   6.774  -5.596  22.643
  102   2H5*    G  10          2H5*        G  10   7.012  -6.744  21.318
  103    H4*    G  10           H4*        G  10   5.760  -7.984  22.824
  104    H3*    G  10           H3*        G  10   3.755  -6.707  20.934
  105    H2*    G  10           H2*        G  10   2.063  -7.945  21.974
  106   2HO*    G  10          2HO*        G  10   3.582  -9.820  22.254
  107    H1*    G  10           H1*        G  10   2.897  -7.378  24.506
  108    H8     G  10           H8         G  10   3.790  -4.103  23.324
  109    H1     G  10           H1         G  10  -2.592  -4.892  23.157
  110   1H2     G  10          2H2         G  10  -3.063  -7.073  22.996
  111   2H2     G  10          1H2         G  10  -1.791  -8.292  23.110
  112    H5T    G  10           H5T        G  10   5.469  -5.727  20.117
  113   1H5*    U  11          1H5*        U  11   2.899 -10.396  19.677
  114   2H5*    U  11          2H5*        U  11   2.880 -10.476  17.907
  115    H4*    U  11           H4*        U  11   0.647 -10.844  18.841
  116    H3*    U  11           H3*        U  11   0.976  -8.225  17.358
  117    H2*    U  11           H2*        U  11  -1.405  -7.949  17.634
  118   2HO*    U  11          2HO*        U  11  -1.775 -10.288  17.308
  119    H1*    U  11           H1*        U  11  -1.453  -8.698  20.234
  120    H3     U  11           H3         U  11  -2.259  -4.203  19.942
  121    H5     U  11           H5         U  11   1.929  -4.557  20.059
  122    H6     U  11           H6         U  11   1.688  -6.954  19.857
  123   1H5*    C  12          1H5*        C  12  -2.503 -10.321  15.582
  124   2H5*    C  12          2H5*        C  12  -2.542  -9.948  13.851
  125    H4*    C  12           H4*        C  12  -4.629  -9.313  15.105
  126    H3*    C  12           H3*        C  12  -3.059  -7.131  13.709
  127    H2*    C  12           H2*        C  12  -4.868  -5.653  14.291
  128   2HO*    C  12          2HO*        C  12  -6.415  -7.516  13.888
  129    H1*    C  12           H1*        C  12  -5.193  -6.634  16.846
  130   1H4     C  12          2H4         C  12  -1.839  -1.359  17.484
  131   2H4     C  12          1H4         C  12  -0.304  -2.215  17.316
  132    H5     C  12           H5         C  12  -0.244  -4.616  16.638
  133    H6     C  12           H6         C  12  -1.622  -6.543  16.160
  134   1H5*    G  13          1H5*        G  13  -6.913  -6.114  12.410
  135   2H5*    G  13          2H5*        G  13  -6.820  -5.718  10.688
  136    H4*    G  13           H4*        G  13  -7.593  -3.807  12.000
  137    H3*    G  13           H3*        G  13  -4.844  -3.445  10.782
  138    H2*    G  13           H2*        G  13  -5.023  -1.133  11.485
  139   2HO*    G  13          2HO*        G  13  -7.360  -1.020  11.046
  140    H1*    G  13           H1*        G  13  -5.817  -1.765  14.014
  141    H8     G  13           H8         G  13  -3.494  -4.520  12.763
  142    H1     G  13           H1         G  13  -0.344   0.619  14.959
  143   1H2     G  13          1H2         G  13  -1.750   2.302  15.300
  144   2H2     G  13          2H2         G  13  -3.450   2.173  14.924
  145   1H5*    A  14          1H5*        A  14  -8.904  -1.676   9.196
  146   2H5*    A  14          2H5*        A  14  -8.700  -0.980   7.579
  147    H4*    A  14           H4*        A  14 -10.341   0.187   9.096
  148    H3*    A  14           H3*        A  14  -8.032   1.816   8.020
  149    H2*    A  14           H2*        A  14  -9.161   3.727   8.976
  150   2HO*    A  14          2HO*        A  14 -11.376   2.889   8.607
  151    H1*    A  14           H1*        A  14  -9.442   2.555  11.382
  152    H8     A  14           H8         A  14  -6.302   0.866  10.658
  153   1H6     A  14          1H6         A  14  -3.490   6.274  11.891
  154   2H6     A  14          2H6         A  14  -3.235   4.536  11.713
  155    H2     A  14           H2         A  14  -7.711   7.113  10.923
  156   1H5*    A  15          1H5*        A  15  -8.722   4.391   4.781
  157   2H5*    A  15          2H5*        A  15  -7.763   3.690   6.107
  158    H4*    A  15           H4*        A  15  -8.924   6.517   6.128
  159    H3*    A  15           H3*        A  15  -6.270   5.478   5.143
  160    H2*    A  15           H2*        A  15  -5.184   7.425   6.038
  161   2HO*    A  15          2HO*        A  15  -7.233   8.693   5.449
  162    H1*    A  15           H1*        A  15  -6.408   7.344   8.461
  163    H8     A  15           H8         A  15  -6.317   3.743   7.959
  164   1H6     A  15          1H6         A  15  -0.130   3.918   8.680
  165   2H6     A  15          2H6         A  15  -1.513   2.835   8.472
  166    H2     A  15           H2         A  15  -1.581   8.056   8.487
  167   1H5*    G  16          1H5*        G  16  -5.809   9.367   4.008
  168   2H5*    G  16          2H5*        G  16  -5.322   9.459   2.305
  169    H4*    G  16           H4*        G  16  -3.658  10.502   3.807
  170    H3*    G  16           H3*        G  16  -2.793   8.005   2.331
  171    H2*    G  16           H2*        G  16  -0.575   8.401   3.209
  172   2HO*    G  16          2HO*        G  16  -0.956  10.801   3.002
  173    H1*    G  16           H1*        G  16  -1.413   8.894   5.754
  174    H8     G  16           H8         G  16  -3.789   6.208   4.634
  175    H1     G  16           H1         G  16   2.152   4.016   5.764
  176   1H2     G  16          1H2         G  16   3.539   5.544   5.671
  177   2H2     G  16          2H2         G  16   3.237   7.207   5.488
  178   1H5*    C  17          1H5*        C  17   0.207  11.039   1.556
  179   2H5*    C  17          2H5*        C  17   0.702  10.970  -0.143
  180    H4*    C  17           H4*        C  17   2.596  10.739   1.480
  181    H3*    C  17           H3*        C  17   2.019   8.423  -0.386
  182    H2*    C  17           H2*        C  17   4.076   7.455   0.437
  183   2HO*    C  17          2HO*        C  17   4.978   9.756   0.606
  184    H1*    C  17           H1*        C  17   3.574   8.044   3.063
  185   1H4     C  17          2H4         C  17   1.674   2.092   2.642
  186   2H4     C  17          1H4         C  17   0.002   2.597   2.404
  187    H5     C  17           H5         C  17  -0.555   4.959   1.819
  188    H6     C  17           H6         C  17   0.362   7.192   1.647
  189   1H5*    C  18          1H5*        C  18   6.183   9.415  -0.727
  190   2H5*    C  18          2H5*        C  18   6.686   9.507  -2.416
  191    H4*    C  18           H4*        C  18   8.073   7.987  -0.934
  192    H3*    C  18           H3*        C  18   7.429   7.631  -3.619
  193    H2*    C  18           H2*        C  18   5.644   6.119  -3.213
  194   2HO*    C  18          2HO*        C  18   6.531   3.960  -3.517
  195    H1*    C  18           H1*        C  18   7.365   4.871  -1.041
  196   1H4     C  18          2H4         C  18   2.250   1.246  -0.345
  197   2H4     C  18          1H4         C  18   1.112   2.584  -0.510
  198    H5     C  18           H5         C  18   1.914   4.894  -1.017
  199    H6     C  18           H6         C  18   3.899   6.245  -1.350
  200    H3T    C  18           H3T        C  18   8.932   5.710  -3.219
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   5.931  -8.573   0.156
    2   2H5*    G   1          2H5*        G   1   6.563  -8.490   1.808
    3    H4*    G   1           H4*        G   1   8.091  -7.312   0.385
    4    H3*    G   1           H3*        G   1   6.370  -5.383   1.969
    5    H2*    G   1           H2*        G   1   7.796  -3.641   1.151
    6   2HO*    G   1          2HO*        G   1   9.717  -5.101   1.259
    7    H1*    G   1           H1*        G   1   7.698  -4.513  -1.431
    8    H8     G   1           H8         G   1   4.270  -5.402  -0.273
    9    H1     G   1           H1         G   1   5.038   0.957  -0.902
   10   1H2     G   1          2H2         G   1   7.225   1.435  -1.027
   11   2H2     G   1          1H2         G   1   8.434   0.149  -1.037
   12    H5T    G   1           H5T        G   1   5.045  -6.922   2.293
   13   1H5*    G   2          1H5*        G   2  10.270  -4.206   2.985
   14   2H5*    G   2          2H5*        G   2  10.348  -3.809   4.710
   15    H4*    G   2           H4*        G   2  11.017  -1.926   3.222
   16    H3*    G   2           H3*        G   2   8.565  -1.532   4.951
   17    H2*    G   2           H2*        G   2   8.573   0.762   4.193
   18   2HO*    G   2          2HO*        G   2  11.009   0.732   4.193
   19    H1*    G   2           H1*        G   2   8.986   0.150   1.575
   20    H8     G   2           H8         G   2   6.651  -2.547   2.816
   21    H1     G   2           H1         G   2   3.841   3.213   2.239
   22   1H2     G   2          2H2         G   2   5.452   4.804   2.119
   23   2H2     G   2          1H2         G   2   7.152   4.339   2.026
   24   1H5*    C   3          1H5*        C   3  11.109   1.936   5.639
   25   2H5*    C   3          2H5*        C   3  11.084   2.333   7.364
   26    H4*    C   3           H4*        C   3  10.398   4.227   5.874
   27    H3*    C   3           H3*        C   3   8.356   3.172   7.851
   28    H2*    C   3           H2*        C   3   7.013   5.062   7.204
   29   2HO*    C   3          2HO*        C   3   9.061   6.386   7.013
   30    H1*    C   3           H1*        C   3   7.506   4.815   4.522
   31   1H4     C   3          2H4         C   3   1.900   1.921   5.413
   32   2H4     C   3          1H4         C   3   2.756   0.415   5.632
   33    H5     C   3           H5         C   3   5.162   0.226   5.866
   34    H6     C   3           H6         C   3   7.244   1.436   5.784
   35   1H5*    U   4          1H5*        U   4   7.904   7.179   8.632
   36   2H5*    U   4          2H5*        U   4   7.784   7.432  10.382
   37    H4*    U   4           H4*        U   4   5.723   8.116   9.203
   38    H3*    U   4           H3*        U   4   5.439   5.712  11.024
   39    H2*    U   4           H2*        U   4   3.054   5.897  10.617
   40   2HO*    U   4          2HO*        U   4   3.191   8.292  10.563
   41    H1*    U   4           H1*        U   4   3.330   6.231   7.920
   42    H3     U   4           H3         U   4   1.610   2.045   8.735
   43    H5     U   4           H5         U   4   5.763   1.595   9.130
   44    H6     U   4           H6         U   4   6.007   3.986   8.946
   45   1H5*    A   5          1H5*        A   5   2.374   8.639  12.137
   46   2H5*    A   5          2H5*        A   5   2.127   8.579  13.888
   47    H4*    A   5           H4*        A   5   0.044   8.166  12.605
   48    H3*    A   5           H3*        A   5   1.059   5.823  14.243
   49    H2*    A   5           H2*        A   5  -1.080   4.806  13.760
   50   2HO*    A   5          2HO*        A   5  -2.297   6.830  13.894
   51    H1*    A   5           H1*        A   5  -0.952   5.410  11.086
   52    H8     A   5           H8         A   5   2.563   4.679  12.411
   53   1H6     A   5          1H6         A   5   1.160  -1.319  11.630
   54   2H6     A   5          2H6         A   5   2.485  -0.191  11.898
   55    H2     A   5           H2         A   5  -2.536   0.986  11.070
   56   1H5*    A   6          1H5*        A   6  -2.421   8.795  15.273
   57   2H5*    A   6          2H5*        A   6  -2.893   8.622  16.976
   58    H4*    A   6           H4*        A   6  -4.795   9.142  15.426
   59    H3*    A   6           H3*        A   6  -4.882   6.521  16.943
   60    H2*    A   6           H2*        A   6  -7.119   6.275  16.051
   61   2HO*    A   6          2HO*        A   6  -7.415   8.691  16.241
   62    H1*    A   6           H1*        A   6  -6.429   6.931  13.501
   63    H8     A   6           H8         A   6  -3.439   5.016  14.760
   64   1H6     A   6          1H6         A   6  -6.790  -0.088  13.657
   65   2H6     A   6          2H6         A   6  -5.177   0.490  14.066
   66    H2     A   6           H2         A   6  -9.528   3.350  13.518
   67   1H5*    G   7          1H5*        G   7  -8.567   7.193  17.783
   68   2H5*    G   7          2H5*        G   7  -8.908   6.899  19.499
   69    H4*    G   7           H4*        G   7 -10.047   5.282  17.990
   70    H3*    G   7           H3*        G   7  -7.956   4.134  19.855
   71    H2*    G   7           H2*        G   7  -8.663   1.951  19.060
   72   2HO*    G   7          2HO*        G   7 -10.953   2.821  18.867
   73    H1*    G   7           H1*        G   7  -8.638   2.643  16.432
   74    H8     G   7           H8         G   7  -5.728   4.564  17.889
   75    H1     G   7           H1         G   7  -4.602  -1.750  17.378
   76   1H2     G   7          2H2         G   7  -6.514  -2.818  16.955
   77   2H2     G   7          1H2         G   7  -8.018  -1.925  16.715
   78   1H5*    A   8          1H5*        A   8 -11.423   1.641  20.234
   79   2H5*    A   8          2H5*        A   8 -11.683   1.195  21.925
   80    H4*    A   8           H4*        A   8 -11.411  -0.762  20.350
   81    H3*    A   8           H3*        A   8  -9.452  -0.404  22.622
   82    H2*    A   8           H2*        A   8  -8.572  -2.565  22.041
   83   2HO*    A   8          2HO*        A   8  -9.545  -3.937  20.624
   84    H1*    A   8           H1*        A   8  -8.559  -2.075  19.332
   85    H8     A   8           H8         A   8  -7.405   1.174  20.816
   86   1H6     A   8          1H6         A   8  -1.784  -1.540  20.812
   87   2H6     A   8          2H6         A   8  -2.630   0.000  20.894
   88    H2     A   8           H2         A   8  -4.831  -4.703  20.341
   89   1H5*    C   9          1H5*        C   9 -11.026  -4.349  22.923
   90   2H5*    C   9          2H5*        C   9 -11.438  -4.745  24.602
   91    H4*    C   9           H4*        C   9  -9.851  -6.399  23.715
   92    H3*    C   9           H3*        C   9  -8.636  -4.499  25.765
   93    H2*    C   9           H2*        C   9  -6.694  -5.878  25.716
   94   2HO*    C   9          2HO*        C   9  -8.133  -7.838  25.493
   95    H1*    C   9           H1*        C   9  -6.714  -6.155  22.961
   96   1H4     C   9          2H4         C   9  -2.658  -1.435  23.948
   97   2H4     C   9          1H4         C   9  -3.945  -0.243  24.147
   98    H5     C   9           H5         C   9  -6.328  -0.926  24.234
   99    H6     C   9           H6         C   9  -7.823  -2.803  24.044
  100    H3T    C   9           H3T        C   9 -10.310  -5.816  26.551
  101   1H5*    G  10          1H5*        G  10   7.067  -5.070  22.819
  102   2H5*    G  10          2H5*        G  10   7.234  -6.363  21.623
  103    H4*    G  10           H4*        G  10   6.044  -7.410  23.315
  104    H3*    G  10           H3*        G  10   3.964  -6.328  21.385
  105    H2*    G  10           H2*        G  10   2.312  -7.418  22.631
  106   2HO*    G  10          2HO*        G  10   3.822  -9.274  23.049
  107    H1*    G  10           H1*        G  10   3.268  -6.588  25.046
  108    H8     G  10           H8         G  10   4.120  -3.480  23.432
  109    H1     G  10           H1         G  10  -2.266  -4.209  23.708
  110   1H2     G  10          2H2         G  10  -2.759  -6.387  23.855
  111   2H2     G  10          1H2         G  10  -1.489  -7.597  24.045
  112    H5T    G  10           H5T        G  10   5.643  -5.467  20.387
  113   1H5*    U  11          1H5*        U  11   3.037 -10.129  20.597
  114   2H5*    U  11          2H5*        U  11   2.910 -10.405  18.852
  115    H4*    U  11           H4*        U  11   0.738 -10.641  19.961
  116    H3*    U  11           H3*        U  11   0.980  -8.217  18.163
  117    H2*    U  11           H2*        U  11  -1.380  -7.896  18.551
  118   2HO*    U  11          2HO*        U  11  -1.767 -10.256  18.532
  119    H1*    U  11           H1*        U  11  -1.264  -8.324  21.220
  120    H3     U  11           H3         U  11  -2.078  -3.887  20.428
  121    H5     U  11           H5         U  11   2.109  -4.270  20.340
  122    H6     U  11           H6         U  11   1.848  -6.670  20.441
  123   1H5*    C  12          1H5*        C  12  -2.598 -10.463  16.873
  124   2H5*    C  12          2H5*        C  12  -2.772 -10.285  15.120
  125    H4*    C  12           H4*        C  12  -4.746  -9.485  16.470
  126    H3*    C  12           H3*        C  12  -3.302  -7.514  14.681
  127    H2*    C  12           H2*        C  12  -5.044  -5.945  15.235
  128   2HO*    C  12          2HO*        C  12  -6.624  -7.830  15.211
  129    H1*    C  12           H1*        C  12  -5.143  -6.603  17.912
  130   1H4     C  12          2H4         C  12  -1.758  -1.333  17.597
  131   2H4     C  12          1H4         C  12  -0.235  -2.215  17.447
  132    H5     C  12           H5         C  12  -0.227  -4.688  17.071
  133    H6     C  12           H6         C  12  -1.641  -6.645  16.945
  134   1H5*    G  13          1H5*        G  13  -7.178  -6.470  13.662
  135   2H5*    G  13          2H5*        G  13  -7.262  -6.357  11.898
  136    H4*    G  13           H4*        G  13  -7.791  -4.209  12.918
  137    H3*    G  13           H3*        G  13  -5.151  -4.269  11.439
  138    H2*    G  13           H2*        G  13  -5.087  -1.881  11.738
  139   2HO*    G  13          2HO*        G  13  -7.418  -1.617  11.408
  140    H1*    G  13           H1*        G  13  -5.765  -1.986  14.392
  141    H8     G  13           H8         G  13  -3.666  -5.028  13.392
  142    H1     G  13           H1         G  13  -0.144   0.157  14.781
  143   1H2     G  13          1H2         G  13  -1.455   1.933  15.059
  144   2H2     G  13          2H2         G  13  -3.178   1.849  14.814
  145   1H5*    A  14          1H5*        A  14  -9.220  -2.347   9.913
  146   2H5*    A  14          2H5*        A  14  -9.073  -2.126   8.158
  147    H4*    A  14           H4*        A  14 -10.417  -0.351   9.284
  148    H3*    A  14           H3*        A  14  -7.884   0.458   7.852
  149    H2*    A  14           H2*        A  14  -8.419   2.732   8.358
  150   2HO*    A  14          2HO*        A  14 -10.692   2.457   7.863
  151    H1*    A  14           H1*        A  14  -9.301   2.272  10.927
  152    H8     A  14           H8         A  14  -6.213   0.158  10.509
  153   1H6     A  14          1H6         A  14  -3.147   5.488  11.633
  154   2H6     A  14          2H6         A  14  -2.929   3.746  11.469
  155    H2     A  14           H2         A  14  -7.303   6.474  10.639
  156   1H5*    A  15          1H5*        A  15  -8.311   3.475   4.217
  157   2H5*    A  15          2H5*        A  15  -7.267   3.016   5.569
  158    H4*    A  15           H4*        A  15  -9.207   5.374   5.622
  159    H3*    A  15           H3*        A  15  -6.325   5.091   4.798
  160    H2*    A  15           H2*        A  15  -5.713   7.111   5.913
  161   2HO*    A  15          2HO*        A  15  -7.954   7.989   5.288
  162    H1*    A  15           H1*        A  15  -6.996   6.579   8.231
  163    H8     A  15           H8         A  15  -6.250   3.116   7.509
  164   1H6     A  15          1H6         A  15  -0.233   4.238   8.579
  165   2H6     A  15          2H6         A  15  -1.433   2.966   8.305
  166    H2     A  15           H2         A  15  -2.325   8.104   8.477
  167   1H5*    G  16          1H5*        G  16  -6.225   8.939   4.144
  168   2H5*    G  16          2H5*        G  16  -5.757   9.280   2.467
  169    H4*    G  16           H4*        G  16  -4.161  10.257   4.065
  170    H3*    G  16           H3*        G  16  -3.143   8.006   2.320
  171    H2*    G  16           H2*        G  16  -0.951   8.409   3.241
  172   2HO*    G  16          2HO*        G  16  -1.479  10.800   3.284
  173    H1*    G  16           H1*        G  16  -1.785   8.612   5.829
  174    H8     G  16           H8         G  16  -4.044   5.937   4.523
  175    H1     G  16           H1         G  16   1.976   3.888   5.496
  176   1H2     G  16          1H2         G  16   3.310   5.440   5.481
  177   2H2     G  16          2H2         G  16   2.978   7.104   5.369
  178   1H5*    C  17          1H5*        C  17  -0.272  11.215   1.845
  179   2H5*    C  17          2H5*        C  17   0.130  11.363   0.124
  180    H4*    C  17           H4*        C  17   2.134  10.990   1.546
  181    H3*    C  17           H3*        C  17   1.411   8.812  -0.432
  182    H2*    C  17           H2*        C  17   3.512   7.780   0.146
  183   2HO*    C  17          2HO*        C  17   4.498  10.004   0.326
  184    H1*    C  17           H1*        C  17   3.243   8.231   2.850
  185   1H4     C  17          2H4         C  17   1.337   2.275   2.197
  186   2H4     C  17          1H4         C  17  -0.335   2.777   1.958
  187    H5     C  17           H5         C  17  -0.925   5.159   1.552
  188    H6     C  17           H6         C  17  -0.046   7.411   1.524
  189   1H5*    C  18          1H5*        C  18   5.648   9.901  -1.219
  190   2H5*    C  18          2H5*        C  18   5.837   9.956  -2.982
  191    H4*    C  18           H4*        C  18   7.469   8.412  -1.926
  192    H3*    C  18           H3*        C  18   5.346   7.143  -3.695
  193    H2*    C  18           H2*        C  18   6.495   5.083  -3.438
  194   2HO*    C  18          2HO*        C  18   8.578   4.987  -2.490
  195    H1*    C  18           H1*        C  18   7.131   5.506  -0.734
  196   1H4     C  18          2H4         C  18   2.331   1.426  -0.711
  197   2H4     C  18          1H4         C  18   1.135   2.710  -0.864
  198    H5     C  18           H5         C  18   1.811   5.054  -1.343
  199    H6     C  18           H6         C  18   3.711   6.529  -1.600
  200    H3T    C  18           H3T        C  18   8.084   7.394  -4.217
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   4.642  -8.130   0.951
    2   2H5*    G   1          2H5*        G   1   5.737  -8.271   2.333
    3    H4*    G   1           H4*        G   1   7.126  -7.480   0.641
    4    H3*    G   1           H3*        G   1   6.165  -5.037   2.171
    5    H2*    G   1           H2*        G   1   7.677  -3.749   0.908
    6   2HO*    G   1          2HO*        G   1   9.278  -5.556   0.867
    7    H1*    G   1           H1*        G   1   6.869  -4.800  -1.462
    8    H8     G   1           H8         G   1   3.591  -5.105   0.077
    9    H1     G   1           H1         G   1   5.130   1.082  -0.769
   10   1H2     G   1          2H2         G   1   7.355   1.283  -0.925
   11   2H2     G   1          1H2         G   1   8.397  -0.140  -0.954
   12    H5T    G   1           H5T        G   1   4.917  -6.414   3.205
   13   1H5*    G   2          1H5*        G   2   9.979  -4.658   3.391
   14   2H5*    G   2          2H5*        G   2  10.045  -4.280   5.120
   15    H4*    G   2           H4*        G   2  10.852  -2.434   3.683
   16    H3*    G   2           H3*        G   2   8.324  -1.877   5.251
   17    H2*    G   2           H2*        G   2   8.546   0.400   4.482
   18   2HO*    G   2          2HO*        G   2  10.967   0.208   4.661
   19    H1*    G   2           H1*        G   2   9.115  -0.268   1.899
   20    H8     G   2           H8         G   2   6.500  -2.759   2.897
   21    H1     G   2           H1         G   2   4.195   3.239   2.451
   22   1H2     G   2          2H2         G   2   5.933   4.689   2.397
   23   2H2     G   2          1H2         G   2   7.587   4.083   2.315
   24   1H5*    C   3          1H5*        C   3  11.086   1.371   6.112
   25   2H5*    C   3          2H5*        C   3  10.999   1.781   7.833
   26    H4*    C   3           H4*        C   3  10.554   3.712   6.279
   27    H3*    C   3           H3*        C   3   8.376   2.856   8.205
   28    H2*    C   3           H2*        C   3   7.184   4.820   7.482
   29   2HO*    C   3          2HO*        C   3   9.326   5.993   7.339
   30    H1*    C   3           H1*        C   3   7.747   4.498   4.823
   31   1H4     C   3          2H4         C   3   1.917   2.069   5.545
   32   2H4     C   3          1H4         C   3   2.642   0.487   5.700
   33    H5     C   3           H5         C   3   5.023   0.097   5.992
   34    H6     C   3           H6         C   3   7.194   1.141   5.993
   35   1H5*    U   4          1H5*        U   4   7.865   6.740   8.913
   36   2H5*    U   4          2H5*        U   4   7.790   7.017  10.662
   37    H4*    U   4           H4*        U   4   5.644   7.584   9.593
   38    H3*    U   4           H3*        U   4   5.603   5.130  11.363
   39    H2*    U   4           H2*        U   4   3.230   5.090  11.066
   40   2HO*    U   4          2HO*        U   4   2.484   7.114  11.093
   41    H1*    U   4           H1*        U   4   3.319   5.620   8.375
   42    H3     U   4           H3         U   4   1.868   1.300   9.033
   43    H5     U   4           H5         U   4   6.050   1.074   9.311
   44    H6     U   4           H6         U   4   6.155   3.483   9.186
   45   1H5*    A   5          1H5*        A   5   2.698   8.378  12.668
   46   2H5*    A   5          2H5*        A   5   2.477   8.287  14.427
   47    H4*    A   5           H4*        A   5   0.323   8.198  13.168
   48    H3*    A   5           H3*        A   5   1.066   5.704  14.726
   49    H2*    A   5           H2*        A   5  -1.157   4.911  14.202
   50   2HO*    A   5          2HO*        A   5  -2.205   6.991  14.413
   51    H1*    A   5           H1*        A   5  -0.965   5.600  11.551
   52    H8     A   5           H8         A   5   2.394   4.395  13.041
   53   1H6     A   5          1H6         A   5   0.615  -1.175  10.965
   54   2H6     A   5          2H6         A   5   1.988  -0.261  11.574
   55    H2     A   5           H2         A   5  -2.849   1.489  10.706
   56   1H5*    A   6          1H5*        A   6  -2.325   8.818  15.854
   57   2H5*    A   6          2H5*        A   6  -2.797   8.558  17.545
   58    H4*    A   6           H4*        A   6  -4.706   9.155  16.042
   59    H3*    A   6           H3*        A   6  -4.785   6.436  17.380
   60    H2*    A   6           H2*        A   6  -7.018   6.252  16.477
   61   2HO*    A   6          2HO*        A   6  -7.320   8.647  16.859
   62    H1*    A   6           H1*        A   6  -6.351   7.140  13.984
   63    H8     A   6           H8         A   6  -3.420   5.046  15.128
   64   1H6     A   6          1H6         A   6  -6.831   0.171  13.314
   65   2H6     A   6          2H6         A   6  -5.214   0.659  13.814
   66    H2     A   6           H2         A   6  -9.496   3.659  13.531
   67   1H5*    G   7          1H5*        G   7  -8.556   7.143  18.242
   68   2H5*    G   7          2H5*        G   7  -8.901   6.695  19.924
   69    H4*    G   7           H4*        G   7 -10.100   5.264  18.294
   70    H3*    G   7           H3*        G   7  -8.007   3.870  19.980
   71    H2*    G   7           H2*        G   7  -8.789   1.803  18.969
   72   2HO*    G   7          2HO*        G   7 -11.055   2.744  18.907
   73    H1*    G   7           H1*        G   7  -8.759   2.759  16.433
   74    H8     G   7           H8         G   7  -5.821   4.473  18.098
   75    H1     G   7           H1         G   7  -4.767  -1.755  16.892
   76   1H2     G   7          2H2         G   7  -6.680  -2.745  16.338
   77   2H2     G   7          1H2         G   7  -8.176  -1.819  16.183
   78   1H5*    A   8          1H5*        A   8 -11.558   1.470  20.163
   79   2H5*    A   8          2H5*        A   8 -11.791   0.810  21.785
   80    H4*    A   8           H4*        A   8 -11.629  -0.908  19.941
   81    H3*    A   8           H3*        A   8  -9.658  -0.974  22.232
   82    H2*    A   8           H2*        A   8  -8.852  -3.064  21.305
   83   2HO*    A   8          2HO*        A   8 -11.173  -3.560  20.650
   84    H1*    A   8           H1*        A   8  -8.781  -2.177  18.719
   85    H8     A   8           H8         A   8  -7.618   0.851  20.598
   86   1H6     A   8          1H6         A   8  -2.021  -1.887  20.420
   87   2H6     A   8          2H6         A   8  -2.867  -0.363  20.648
   88    H2     A   8           H2         A   8  -5.078  -4.967  19.560
   89   1H5*    C   9          1H5*        C   9 -11.269  -4.947  22.085
   90   2H5*    C   9          2H5*        C   9 -11.631  -5.508  23.730
   91    H4*    C   9           H4*        C   9 -10.002  -6.996  22.591
   92    H3*    C   9           H3*        C   9  -8.919  -5.385  24.931
   93    H2*    C   9           H2*        C   9  -6.891  -6.605  24.720
   94   2HO*    C   9          2HO*        C   9  -6.740  -8.398  23.281
   95    H1*    C   9           H1*        C   9  -6.877  -6.518  21.935
   96   1H4     C   9          2H4         C   9  -2.931  -1.928  23.584
   97   2H4     C   9          1H4         C   9  -4.240  -0.766  23.815
   98    H5     C   9           H5         C   9  -6.618  -1.478  23.749
   99    H6     C   9           H6         C   9  -8.081  -3.347  23.333
  100    H3T    C   9           H3T        C   9  -9.352  -8.151  24.794
  101   1H5*    G  10          1H5*        G  10   6.831  -5.468  22.267
  102   2H5*    G  10          2H5*        G  10   6.997  -6.685  20.994
  103    H4*    G  10           H4*        G  10   5.817  -7.836  22.624
  104    H3*    G  10           H3*        G  10   3.724  -6.647  20.771
  105    H2*    G  10           H2*        G  10   2.083  -7.818  21.959
  106   2HO*    G  10          2HO*        G  10   3.606  -9.685  22.260
  107    H1*    G  10           H1*        G  10   3.046  -7.125  24.413
  108    H8     G  10           H8         G  10   3.886  -3.920  23.017
  109    H1     G  10           H1         G  10  -2.498  -4.686  23.183
  110   1H2     G  10          2H2         G  10  -2.980  -6.870  23.156
  111   2H2     G  10          1H2         G  10  -1.708  -8.087  23.291
  112    H5T    G  10           H5T        G  10   5.402  -5.721  19.820
  113   1H5*    U  11          1H5*        U  11   2.808 -10.400  19.732
  114   2H5*    U  11          2H5*        U  11   2.690 -10.559  17.972
  115    H4*    U  11           H4*        U  11   0.512 -10.872  19.051
  116    H3*    U  11           H3*        U  11   0.759  -8.332  17.422
  117    H2*    U  11           H2*        U  11  -1.602  -8.036  17.820
  118   2HO*    U  11          2HO*        U  11  -1.965 -10.406  17.647
  119    H1*    U  11           H1*        U  11  -1.498  -8.646  20.456
  120    H3     U  11           H3         U  11  -2.309  -4.167  19.933
  121    H5     U  11           H5         U  11   1.879  -4.541  19.862
  122    H6     U  11           H6         U  11   1.618  -6.944  19.811
  123   1H5*    C  12          1H5*        C  12  -2.825 -10.426  15.979
  124   2H5*    C  12          2H5*        C  12  -2.970 -10.161  14.235
  125    H4*    C  12           H4*        C  12  -4.951  -9.397  15.596
  126    H3*    C  12           H3*        C  12  -3.456  -7.372  13.913
  127    H2*    C  12           H2*        C  12  -5.180  -5.802  14.515
  128   2HO*    C  12          2HO*        C  12  -6.789  -7.657  14.390
  129    H1*    C  12           H1*        C  12  -5.327  -6.571  17.156
  130   1H4     C  12          2H4         C  12  -1.868  -1.369  17.241
  131   2H4     C  12          1H4         C  12  -0.352  -2.271  17.136
  132    H5     C  12           H5         C  12  -0.365  -4.722  16.619
  133    H6     C  12           H6         C  12  -1.806  -6.641  16.321
  134   1H5*    G  13          1H5*        G  13  -7.312  -6.220  12.918
  135   2H5*    G  13          2H5*        G  13  -7.385  -6.031  11.160
  136    H4*    G  13           H4*        G  13  -7.885  -3.920  12.265
  137    H3*    G  13           H3*        G  13  -5.239  -3.965  10.796
  138    H2*    G  13           H2*        G  13  -5.109  -1.606  11.206
  139   2HO*    G  13          2HO*        G  13  -7.452  -1.286  10.864
  140    H1*    G  13           H1*        G  13  -5.838  -1.797  13.847
  141    H8     G  13           H8         G  13  -3.780  -4.829  12.718
  142    H1     G  13           H1         G  13  -0.188   0.158  14.568
  143   1H2     G  13          1H2         G  13  -1.463   1.937  14.936
  144   2H2     G  13          2H2         G  13  -3.183   1.915  14.649
  145   1H5*    A  14          1H5*        A  14  -7.507  -0.434   6.966
  146   2H5*    A  14          2H5*        A  14  -6.512   0.243   8.274
  147    H4*    A  14           H4*        A  14  -9.559   0.321   8.057
  148    H3*    A  14           H3*        A  14  -7.388   2.374   7.643
  149    H2*    A  14           H2*        A  14  -8.726   4.058   8.656
  150   2HO*    A  14          2HO*        A  14 -10.779   3.288   7.786
  151    H1*    A  14           H1*        A  14  -9.320   2.643  10.852
  152    H8     A  14           H8         A  14  -6.172   0.908  10.373
  153   1H6     A  14          1H6         A  14  -3.170   6.075  11.991
  154   2H6     A  14          2H6         A  14  -3.004   4.349  11.651
  155    H2     A  14           H2         A  14  -7.366   7.174  11.084
  156   1H5*    A  15          1H5*        A  15  -9.733   5.867   7.177
  157   2H5*    A  15          2H5*        A  15  -9.533   6.315   5.478
  158    H4*    A  15           H4*        A  15  -8.468   7.935   6.909
  159    H3*    A  15           H3*        A  15  -6.477   6.252   5.372
  160    H2*    A  15           H2*        A  15  -4.802   7.784   6.228
  161   2HO*    A  15          2HO*        A  15  -6.416   9.603   6.018
  162    H1*    A  15           H1*        A  15  -5.767   7.788   8.786
  163    H8     A  15           H8         A  15  -6.266   4.282   7.581
  164   1H6     A  15          1H6         A  15  -0.136   3.527   8.517
  165   2H6     A  15          2H6         A  15  -1.615   2.660   8.072
  166    H2     A  15           H2         A  15  -1.060   7.760   9.044
  167   1H5*    G  16          1H5*        G  16  -5.352  10.351   4.606
  168   2H5*    G  16          2H5*        G  16  -4.832  10.496   2.919
  169    H4*    G  16           H4*        G  16  -3.082  11.167   4.573
  170    H3*    G  16           H3*        G  16  -2.503   8.809   2.768
  171    H2*    G  16           H2*        G  16  -0.248   8.868   3.654
  172   2HO*    G  16          2HO*        G  16  -0.372  11.293   3.763
  173    H1*    G  16           H1*        G  16  -1.039   9.117   6.253
  174    H8     G  16           H8         G  16  -3.592   6.796   4.691
  175    H1     G  16           H1         G  16   2.116   4.016   5.735
  176   1H2     G  16          1H2         G  16   3.612   5.432   5.891
  177   2H2     G  16          2H2         G  16   3.435   7.124   5.901
  178   1H5*    C  17          1H5*        C  17   0.811  11.654   2.391
  179   2H5*    C  17          2H5*        C  17   1.256  11.781   0.681
  180    H4*    C  17           H4*        C  17   3.180  11.205   2.165
  181    H3*    C  17           H3*        C  17   2.339   9.190   0.067
  182    H2*    C  17           H2*        C  17   4.329   7.959   0.649
  183   2HO*    C  17          2HO*        C  17   5.464  10.113   0.977
  184    H1*    C  17           H1*        C  17   4.028   8.308   3.364
  185   1H4     C  17          2H4         C  17   1.674   2.556   2.397
  186   2H4     C  17          1H4         C  17   0.048   3.204   2.220
  187    H5     C  17           H5         C  17  -0.354   5.640   1.934
  188    H6     C  17           H6         C  17   0.698   7.814   2.007
  189   1H5*    C  18          1H5*        C  18   6.657   9.824  -0.539
  190   2H5*    C  18          2H5*        C  18   6.889  10.041  -2.283
  191    H4*    C  18           H4*        C  18   8.328   8.235  -1.465
  192    H3*    C  18           H3*        C  18   5.986   7.269  -3.160
  193    H2*    C  18           H2*        C  18   7.029   5.127  -3.133
  194   2HO*    C  18          2HO*        C  18   9.205   6.219  -3.297
  195    H1*    C  18           H1*        C  18   7.723   5.283  -0.442
  196   1H4     C  18          2H4         C  18   2.431   1.857  -0.569
  197   2H4     C  18          1H4         C  18   1.397   3.282  -0.675
  198    H5     C  18           H5         C  18   2.367   5.550  -1.015
  199    H6     C  18           H6         C  18   4.438   6.783  -1.185
  200    H3T    C  18           H3T        C  18   7.424   8.645  -4.246
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   5.619  -7.392   0.481
    2   2H5*    G   1          2H5*        G   1   6.701  -7.561   1.871
    3    H4*    G   1           H4*        G   1   8.068  -6.587   0.258
    4    H3*    G   1           H3*        G   1   6.946  -4.304   1.920
    5    H2*    G   1           H2*        G   1   8.405  -2.857   0.773
    6   2HO*    G   1          2HO*        G   1  10.105  -4.570   0.651
    7    H1*    G   1           H1*        G   1   7.700  -3.800  -1.676
    8    H8     G   1           H8         G   1   4.413  -4.373  -0.243
    9    H1     G   1           H1         G   1   5.633   1.928  -0.649
   10   1H2     G   1          2H2         G   1   7.846   2.256  -0.727
   11   2H2     G   1          1H2         G   1   8.965   0.895  -0.822
   12    H5T    G   1           H5T        G   1   5.765  -5.809   2.843
   13   1H5*    G   2          1H5*        G   2  10.703  -3.768   3.200
   14   2H5*    G   2          2H5*        G   2  10.739  -3.511   4.951
   15    H4*    G   2           H4*        G   2  11.445  -1.523   3.661
   16    H3*    G   2           H3*        G   2   8.874  -1.230   5.231
   17    H2*    G   2           H2*        G   2   8.961   1.104   4.629
   18   2HO*    G   2          2HO*        G   2  11.387   1.049   4.831
   19    H1*    G   2           H1*        G   2   9.602   0.661   2.015
   20    H8     G   2           H8         G   2   7.124  -2.041   2.784
   21    H1     G   2           H1         G   2   4.482   3.833   2.669
   22   1H2     G   2          2H2         G   2   6.133   5.378   2.767
   23   2H2     G   2          1H2         G   2   7.823   4.874   2.701
   24   1H5*    C   3          1H5*        C   3  11.430   2.119   6.354
   25   2H5*    C   3          2H5*        C   3  11.306   2.378   8.101
   26    H4*    C   3           H4*        C   3  10.768   4.407   6.731
   27    H3*    C   3           H3*        C   3   8.588   3.255   8.493
   28    H2*    C   3           H2*        C   3   7.324   5.225   7.930
   29   2HO*    C   3          2HO*        C   3   9.411   6.504   7.964
   30    H1*    C   3           H1*        C   3   7.965   5.183   5.268
   31   1H4     C   3          2H4         C   3   2.261   2.358   5.634
   32   2H4     C   3          1H4         C   3   3.077   0.818   5.739
   33    H5     C   3           H5         C   3   5.467   0.551   6.041
   34    H6     C   3           H6         C   3   7.574   1.713   6.169
   35   1H5*    U   4          1H5*        U   4   8.166   7.169   9.600
   36   2H5*    U   4          2H5*        U   4   7.973   7.272  11.359
   37    H4*    U   4           H4*        U   4   5.973   8.092  10.167
   38    H3*    U   4           H3*        U   4   5.579   5.530  11.735
   39    H2*    U   4           H2*        U   4   3.218   5.790  11.245
   40   2HO*    U   4          2HO*        U   4   3.371   8.172  11.431
   41    H1*    U   4           H1*        U   4   3.619   6.380   8.608
   42    H3     U   4           H3         U   4   1.813   2.163   8.936
   43    H5     U   4           H5         U   4   5.941   1.608   9.453
   44    H6     U   4           H6         U   4   6.221   4.002   9.518
   45   1H5*    A   5          1H5*        A   5   2.515   8.417  12.992
   46   2H5*    A   5          2H5*        A   5   2.185   8.194  14.716
   47    H4*    A   5           H4*        A   5   0.157   7.967  13.303
   48    H3*    A   5           H3*        A   5   1.032   5.451  14.753
   49    H2*    A   5           H2*        A   5  -1.106   4.548  14.077
   50   2HO*    A   5          2HO*        A   5  -2.275   6.587  14.350
   51    H1*    A   5           H1*        A   5  -0.834   5.400  11.484
   52    H8     A   5           H8         A   5   2.593   4.440  12.889
   53   1H6     A   5          1H6         A   5   1.093  -1.398  11.391
   54   2H6     A   5          2H6         A   5   2.431  -0.343  11.838
   55    H2     A   5           H2         A   5  -2.523   1.052  10.942
   56   1H5*    A   6          1H5*        A   6  -2.417   8.420  15.889
   57   2H5*    A   6          2H5*        A   6  -2.974   8.108  17.545
   58    H4*    A   6           H4*        A   6  -4.787   8.828  15.971
   59    H3*    A   6           H3*        A   6  -5.014   6.081  17.228
   60    H2*    A   6           H2*        A   6  -7.213   5.987  16.221
   61   2HO*    A   6          2HO*        A   6  -7.454   8.383  16.629
   62    H1*    A   6           H1*        A   6  -6.392   6.860  13.777
   63    H8     A   6           H8         A   6  -3.514   4.746  14.980
   64   1H6     A   6          1H6         A   6  -6.915  -0.125  13.193
   65   2H6     A   6          2H6         A   6  -5.314   0.369  13.733
   66    H2     A   6           H2         A   6  -9.570   3.384  13.287
   67   1H5*    G   7          1H5*        G   7  -8.708   6.776  18.006
   68   2H5*    G   7          2H5*        G   7  -9.116   6.319  19.671
   69    H4*    G   7           H4*        G   7 -10.234   4.888  17.976
   70    H3*    G   7           H3*        G   7  -8.216   3.499  19.757
   71    H2*    G   7           H2*        G   7  -8.958   1.433  18.715
   72   2HO*    G   7          2HO*        G   7 -11.217   2.373  18.554
   73    H1*    G   7           H1*        G   7  -8.821   2.400  16.182
   74    H8     G   7           H8         G   7  -5.935   4.085  17.959
   75    H1     G   7           H1         G   7  -4.914  -2.164  16.820
   76   1H2     G   7          2H2         G   7  -6.816  -3.126  16.181
   77   2H2     G   7          1H2         G   7  -8.291  -2.176  15.964
   78   1H5*    A   8          1H5*        A   8 -11.792   1.120  19.786
   79   2H5*    A   8          2H5*        A   8 -12.099   0.458  21.396
   80    H4*    A   8           H4*        A   8 -11.883  -1.254  19.548
   81    H3*    A   8           H3*        A   8 -10.013  -1.359  21.922
   82    H2*    A   8           H2*        A   8  -9.209  -3.462  21.021
   83   2HO*    A   8          2HO*        A   8 -11.507  -3.915  20.267
   84    H1*    A   8           H1*        A   8  -9.016  -2.565  18.444
   85    H8     A   8           H8         A   8  -7.867   0.424  20.395
   86   1H6     A   8          1H6         A   8  -2.325  -2.435  20.409
   87   2H6     A   8          2H6         A   8  -3.146  -0.894  20.621
   88    H2     A   8           H2         A   8  -5.408  -5.435  19.387
   89   1H5*    C   9          1H5*        C   9 -11.713  -5.305  21.671
   90   2H5*    C   9          2H5*        C   9 -12.146  -5.872  23.297
   91    H4*    C   9           H4*        C   9 -10.519  -7.392  22.197
   92    H3*    C   9           H3*        C   9  -9.479  -5.839  24.595
   93    H2*    C   9           H2*        C   9  -7.479  -7.114  24.443
   94   2HO*    C   9          2HO*        C   9  -7.325  -8.895  22.992
   95    H1*    C   9           H1*        C   9  -7.361  -6.997  21.661
   96   1H4     C   9          2H4         C   9  -3.351  -2.542  23.524
   97   2H4     C   9          1H4         C   9  -4.635  -1.350  23.736
   98    H5     C   9           H5         C   9  -7.027  -1.993  23.570
   99    H6     C   9           H6         C   9  -8.525  -3.812  23.066
  100    H3T    C   9           H3T        C   9  -9.984  -8.590  24.408
  101   1H5*    G  10          1H5*        G  10   6.362  -6.288  22.456
  102   2H5*    G  10          2H5*        G  10   6.549  -7.481  21.163
  103    H4*    G  10           H4*        G  10   5.279  -8.639  22.719
  104    H3*    G  10           H3*        G  10   3.289  -7.357  20.815
  105    H2*    G  10           H2*        G  10   1.574  -8.513  21.912
  106   2HO*    G  10          2HO*        G  10   3.040 -10.424  22.227
  107    H1*    G  10           H1*        G  10   2.459  -7.901  24.417
  108    H8     G  10           H8         G  10   3.428  -4.686  23.134
  109    H1     G  10           H1         G  10  -2.975  -5.295  23.058
  110   1H2     G  10          2H2         G  10  -3.510  -7.466  22.959
  111   2H2     G  10          1H2         G  10  -2.273  -8.717  23.100
  112    H5T    G  10           H5T        G  10   5.023  -6.453  19.951
  113   1H5*    U  11          1H5*        U  11   2.323 -11.061  19.666
  114   2H5*    U  11          2H5*        U  11   2.269 -11.186  17.900
  115    H4*    U  11           H4*        U  11   0.044 -11.462  18.891
  116    H3*    U  11           H3*        U  11   0.423  -8.909  17.310
  117    H2*    U  11           H2*        U  11  -1.938  -8.540  17.626
  118   2HO*    U  11          2HO*        U  11  -2.378 -10.887  17.390
  119    H1*    U  11           H1*        U  11  -1.961  -9.209  20.253
  120    H3     U  11           H3         U  11  -2.641  -4.703  19.831
  121    H5     U  11           H5         U  11   1.536  -5.179  19.899
  122    H6     U  11           H6         U  11   1.220  -7.573  19.769
  123   1H5*    C  12          1H5*        C  12  -3.172 -10.874  15.680
  124   2H5*    C  12          2H5*        C  12  -3.236 -10.556  13.939
  125    H4*    C  12           H4*        C  12  -5.244  -9.736  15.245
  126    H3*    C  12           H3*        C  12  -3.575  -7.738  13.709
  127    H2*    C  12           H2*        C  12  -5.219  -6.106  14.261
  128   2HO*    C  12          2HO*        C  12  -7.185  -6.583  15.168
  129    H1*    C  12           H1*        C  12  -5.555  -6.989  16.879
  130   1H4     C  12          2H4         C  12  -2.043  -1.832  17.248
  131   2H4     C  12          1H4         C  12  -0.534  -2.745  17.150
  132    H5     C  12           H5         C  12  -0.556  -5.180  16.567
  133    H6     C  12           H6         C  12  -2.009  -7.078  16.170
  134   1H5*    G  13          1H5*        G  13  -7.356  -6.503  12.536
  135   2H5*    G  13          2H5*        G  13  -7.339  -6.211  10.791
  136    H4*    G  13           H4*        G  13  -7.915  -4.169  11.996
  137    H3*    G  13           H3*        G  13  -5.207  -4.114  10.647
  138    H2*    G  13           H2*        G  13  -5.128  -1.771  11.188
  139   2HO*    G  13          2HO*        G  13  -7.438  -1.436  10.778
  140    H1*    G  13           H1*        G  13  -5.937  -2.121  13.781
  141    H8     G  13           H8         G  13  -3.825  -5.087  12.582
  142    H1     G  13           H1         G  13  -0.318  -0.141  14.689
  143   1H2     G  13          2H2         G  13  -1.614   1.624  15.070
  144   2H2     G  13          1H2         G  13  -3.321   1.602  14.720
  145   1H5*    A  14          1H5*        A  14  -9.176  -1.968   9.138
  146   2H5*    A  14          2H5*        A  14  -8.939  -1.579   7.423
  147    H4*    A  14           H4*        A  14 -10.307   0.106   8.652
  148    H3*    A  14           H3*        A  14  -7.692   0.995   7.431
  149    H2*    A  14           H2*        A  14  -8.207   3.219   8.137
  150   2HO*    A  14          2HO*        A  14 -10.459   3.042   7.508
  151    H1*    A  14           H1*        A  14  -9.226   2.530  10.602
  152    H8     A  14           H8         A  14  -6.165   0.390  10.127
  153   1H6     A  14          1H6         A  14  -3.051   5.499  11.932
  154   2H6     A  14          2H6         A  14  -2.864   3.775  11.606
  155    H2     A  14           H2         A  14  -7.127   6.689  10.829
  156   1H5*    A  15          1H5*        A  15  -7.840   4.334   4.096
  157   2H5*    A  15          2H5*        A  15  -6.892   3.721   5.457
  158    H4*    A  15           H4*        A  15  -8.765   6.127   5.618
  159    H3*    A  15           H3*        A  15  -5.848   5.827   4.933
  160    H2*    A  15           H2*        A  15  -5.249   7.719   6.259
  161   2HO*    A  15          2HO*        A  15  -7.424   8.721   5.592
  162    H1*    A  15           H1*        A  15  -6.679   7.022   8.445
  163    H8     A  15           H8         A  15  -5.981   3.616   7.449
  164   1H6     A  15          1H6         A  15  -0.003   4.451   8.919
  165   2H6     A  15          2H6         A  15  -1.220   3.250   8.466
  166    H2     A  15           H2         A  15  -1.992   8.373   9.084
  167   1H5*    G  16          1H5*        G  16  -5.609   9.710   4.608
  168   2H5*    G  16          2H5*        G  16  -5.020  10.173   3.000
  169    H4*    G  16           H4*        G  16  -3.508  10.956   4.778
  170    H3*    G  16           H3*        G  16  -2.433   8.830   2.914
  171    H2*    G  16           H2*        G  16  -0.298   9.088   4.012
  172   2HO*    G  16          2HO*        G  16  -0.782  11.481   4.242
  173    H1*    G  16           H1*        G  16  -1.307   9.075   6.543
  174    H8     G  16           H8         G  16  -3.550   6.605   4.873
  175    H1     G  16           H1         G  16   2.366   4.302   5.908
  176   1H2     G  16          1H2         G  16   3.736   5.815   6.109
  177   2H2     G  16          2H2         G  16   3.441   7.489   6.154
  178   1H5*    C  17          1H5*        C  17   0.561  11.951   2.963
  179   2H5*    C  17          2H5*        C  17   1.083  12.265   1.299
  180    H4*    C  17           H4*        C  17   2.972  11.693   2.817
  181    H3*    C  17           H3*        C  17   2.362   9.789   0.542
  182    H2*    C  17           H2*        C  17   4.391   8.633   1.137
  183   2HO*    C  17          2HO*        C  17   5.376  10.820   1.674
  184    H1*    C  17           H1*        C  17   3.945   8.768   3.852
  185   1H4     C  17          2H4         C  17   1.966   2.976   2.472
  186   2H4     C  17          1H4         C  17   0.314   3.542   2.241
  187    H5     C  17           H5         C  17  -0.209   5.967   2.059
  188    H6     C  17           H6         C  17   0.716   8.186   2.294
  189   1H5*    C  18          1H5*        C  18   6.661  10.700   0.197
  190   2H5*    C  18          2H5*        C  18   6.954  11.056  -1.515
  191    H4*    C  18           H4*        C  18   8.455   9.273  -0.769
  192    H3*    C  18           H3*        C  18   6.235   8.307  -2.620
  193    H2*    C  18           H2*        C  18   7.388   6.226  -2.695
  194   2HO*    C  18          2HO*        C  18   9.507   7.439  -2.699
  195    H1*    C  18           H1*        C  18   7.981   6.232   0.025
  196   1H4     C  18          2H4         C  18   2.893   2.545  -0.507
  197   2H4     C  18          1H4         C  18   1.787   3.917  -0.580
  198    H5     C  18           H5         C  18   2.641   6.249  -0.750
  199    H6     C  18           H6         C  18   4.646   7.599  -0.764
  200    H3T    C  18           H3T        C  18   7.634   9.830  -3.549
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   7.172  -8.845   0.231
    2   2H5*    G   1          2H5*        G   1   7.396  -8.605   1.974
    3    H4*    G   1           H4*        G   1   8.796  -7.080   0.601
    4    H3*    G   1           H3*        G   1   6.646  -5.713   2.249
    5    H2*    G   1           H2*        G   1   7.804  -3.668   1.663
    6   2HO*    G   1          2HO*        G   1   9.936  -4.691   1.838
    7    H1*    G   1           H1*        G   1   8.111  -4.399  -0.978
    8    H8     G   1           H8         G   1   4.640  -5.517  -0.005
    9    H1     G   1           H1         G   1   5.117   0.862  -0.699
   10   1H2     G   1          2H2         G   1   7.285   1.443  -0.763
   11   2H2     G   1          1H2         G   1   8.552   0.216  -0.709
   12    H5T    G   1           H5T        G   1   5.278  -7.570   0.392
   13   1H5*    G   2          1H5*        G   2  10.571  -4.073   3.478
   14   2H5*    G   2          2H5*        G   2  10.480  -3.645   5.193
   15    H4*    G   2           H4*        G   2  11.134  -1.755   3.666
   16    H3*    G   2           H3*        G   2   8.616  -1.463   5.319
   17    H2*    G   2           H2*        G   2   8.568   0.833   4.543
   18   2HO*    G   2          2HO*        G   2  10.987   0.913   4.618
   19    H1*    G   2           H1*        G   2   9.076   0.195   1.943
   20    H8     G   2           H8         G   2   6.778  -2.543   3.227
   21    H1     G   2           H1         G   2   3.817   3.096   2.324
   22   1H2     G   2          2H2         G   2   5.380   4.733   2.176
   23   2H2     G   2          1H2         G   2   7.094   4.320   2.152
   24   1H5*    C   3          1H5*        C   3  11.060   2.089   6.098
   25   2H5*    C   3          2H5*        C   3  10.916   2.525   7.809
   26    H4*    C   3           H4*        C   3  10.275   4.362   6.228
   27    H3*    C   3           H3*        C   3   8.122   3.307   8.086
   28    H2*    C   3           H2*        C   3   6.801   5.159   7.291
   29   2HO*    C   3          2HO*        C   3   8.812   6.528   7.193
   30    H1*    C   3           H1*        C   3   7.454   4.808   4.658
   31   1H4     C   3          2H4         C   3   1.902   1.881   5.512
   32   2H4     C   3          1H4         C   3   2.730   0.352   5.781
   33    H5     C   3           H5         C   3   5.164   0.223   6.155
   34    H6     C   3           H6         C   3   7.216   1.486   6.089
   35   1H5*    U   4          1H5*        U   4   7.459   7.280   8.731
   36   2H5*    U   4          2H5*        U   4   7.174   7.580  10.453
   37    H4*    U   4           H4*        U   4   5.202   8.120   9.060
   38    H3*    U   4           H3*        U   4   4.799   5.699  10.821
   39    H2*    U   4           H2*        U   4   2.435   5.931  10.284
   40   2HO*    U   4          2HO*        U   4   2.954   8.453   9.656
   41    H1*    U   4           H1*        U   4   3.029   5.951   7.654
   42    H3     U   4           H3         U   4   1.489   1.788   8.919
   43    H5     U   4           H5         U   4   5.655   1.637   9.394
   44    H6     U   4           H6         U   4   5.753   4.008   8.992
   45   1H5*    A   5          1H5*        A   5   1.266   9.667  10.748
   46   2H5*    A   5          2H5*        A   5   1.190  10.228  12.431
   47    H4*    A   5           H4*        A   5  -0.954   9.262  11.672
   48    H3*    A   5           H3*        A   5   0.484   7.617  13.775
   49    H2*    A   5           H2*        A   5  -1.509   6.280  13.877
   50   2HO*    A   5          2HO*        A   5  -3.008   8.056  13.681
   51    H1*    A   5           H1*        A   5  -1.803   6.170  11.129
   52    H8     A   5           H8         A   5   1.803   6.024  12.562
   53   1H6     A   5          1H6         A   5   1.103  -0.127  11.988
   54   2H6     A   5          2H6         A   5   2.271   1.150  12.303
   55    H2     A   5           H2         A   5  -2.796   1.740  11.171
   56   1H5*    A   6          1H5*        A   6  -3.600   8.328  17.415
   57   2H5*    A   6          2H5*        A   6  -3.347   6.869  16.429
   58    H4*    A   6           H4*        A   6  -5.456   9.016  15.896
   59    H3*    A   6           H3*        A   6  -5.625   6.284  17.203
   60    H2*    A   6           H2*        A   6  -7.866   6.119  16.316
   61   2HO*    A   6          2HO*        A   6  -8.126   8.531  16.612
   62    H1*    A   6           H1*        A   6  -7.119   6.827  13.806
   63    H8     A   6           H8         A   6  -4.008   5.113  14.843
   64   1H6     A   6          1H6         A   6  -7.012  -0.228  13.811
   65   2H6     A   6          2H6         A   6  -5.422   0.464  14.113
   66    H2     A   6           H2         A   6 -10.021   2.969  14.038
   67   1H5*    G   7          1H5*        G   7  -8.884   6.706  18.525
   68   2H5*    G   7          2H5*        G   7  -9.055   6.261  20.234
   69    H4*    G   7           H4*        G   7 -10.128   4.648  18.658
   70    H3*    G   7           H3*        G   7  -7.809   3.566  20.282
   71    H2*    G   7           H2*        G   7  -8.435   1.398  19.370
   72   2HO*    G   7          2HO*        G   7 -10.780   2.070  19.406
   73    H1*    G   7           H1*        G   7  -8.634   2.305  16.815
   74    H8     G   7           H8         G   7  -5.770   4.291  18.275
   75    H1     G   7           H1         G   7  -4.280  -1.882  17.212
   76   1H2     G   7          2H2         G   7  -6.136  -3.034  16.771
   77   2H2     G   7          1H2         G   7  -7.701  -2.225  16.666
   78   1H5*    A   8          1H5*        A   8 -11.162   0.905  20.742
   79   2H5*    A   8          2H5*        A   8 -11.242   0.231  22.374
   80    H4*    A   8           H4*        A   8 -11.096  -1.455  20.482
   81    H3*    A   8           H3*        A   8  -9.041  -1.459  22.697
   82    H2*    A   8           H2*        A   8  -8.166  -3.503  21.692
   83   2HO*    A   8          2HO*        A   8 -10.516  -4.033  21.066
   84    H1*    A   8           H1*        A   8  -8.214  -2.552  19.137
   85    H8     A   8           H8         A   8  -7.172   0.546  20.929
   86   1H6     A   8          1H6         A   8  -1.434  -1.847  20.545
   87   2H6     A   8          2H6         A   8  -2.366  -0.372  20.755
   88    H2     A   8           H2         A   8  -4.334  -5.142  19.946
   89   1H5*    C   9          1H5*        C   9 -10.493  -5.367  22.400
   90   2H5*    C   9          2H5*        C   9 -10.931  -6.100  23.949
   91    H4*    C   9           H4*        C   9  -9.215  -7.385  22.607
   92    H3*    C   9           H3*        C   9  -9.267  -7.074  25.371
   93    H2*    C   9           H2*        C   9  -7.688  -5.302  25.423
   94   2HO*    C   9          2HO*        C   9  -5.628  -6.262  25.974
   95    H1*    C   9           H1*        C   9  -6.133  -6.795  23.282
   96   1H4     C   9          2H4         C   9  -2.444  -1.673  23.670
   97   2H4     C   9          1H4         C   9  -3.798  -0.552  23.845
   98    H5     C   9           H5         C   9  -6.140  -1.376  23.967
   99    H6     C   9           H6         C   9  -7.523  -3.355  23.837
  100    H3T    C   9           H3T        C   9  -7.319  -8.576  25.092
  101   1H5*    G  10          1H5*        G  10   7.489  -4.828  22.580
  102   2H5*    G  10          2H5*        G  10   7.754  -6.057  21.335
  103    H4*    G  10           H4*        G  10   6.587  -7.237  22.957
  104    H3*    G  10           H3*        G  10   4.492  -6.200  21.018
  105    H2*    G  10           H2*        G  10   2.877  -7.431  22.193
  106   2HO*    G  10          2HO*        G  10   4.479  -9.210  22.578
  107    H1*    G  10           H1*        G  10   3.731  -6.629  24.650
  108    H8     G  10           H8         G  10   4.448  -3.431  23.123
  109    H1     G  10           H1         G  10  -1.894  -4.487  23.404
  110   1H2     G  10          2H2         G  10  -2.272  -6.692  23.505
  111   2H2     G  10          1H2         G  10  -0.940  -7.843  23.625
  112    H5T    G  10           H5T        G  10   6.150  -5.198  20.098
  113   1H5*    U  11          1H5*        U  11   3.876 -10.051  19.961
  114   2H5*    U  11          2H5*        U  11   3.783 -10.206  18.199
  115    H4*    U  11           H4*        U  11   1.616 -10.643  19.264
  116    H3*    U  11           H3*        U  11   1.730  -8.088  17.642
  117    H2*    U  11           H2*        U  11  -0.653  -7.937  18.020
  118   2HO*    U  11          2HO*        U  11  -0.891 -10.311  17.842
  119    H1*    U  11           H1*        U  11  -0.522  -8.535  20.658
  120    H3     U  11           H3         U  11  -1.590  -4.117  20.126
  121    H5     U  11           H5         U  11   2.611  -4.235  19.992
  122    H6     U  11           H6         U  11   2.495  -6.651  19.989
  123   1H5*    C  12          1H5*        C  12  -1.722 -10.430  16.172
  124   2H5*    C  12          2H5*        C  12  -1.857 -10.170  14.425
  125    H4*    C  12           H4*        C  12  -3.920  -9.568  15.726
  126    H3*    C  12           H3*        C  12  -2.529  -7.391  14.145
  127    H2*    C  12           H2*        C  12  -4.408  -5.989  14.702
  128   2HO*    C  12          2HO*        C  12  -5.863  -7.935  14.468
  129    H1*    C  12           H1*        C  12  -4.570  -6.822  17.325
  130   1H4     C  12          2H4         C  12  -1.499  -1.338  17.455
  131   2H4     C  12          1H4         C  12   0.076  -2.122  17.304
  132    H5     C  12           H5         C  12   0.247  -4.560  16.797
  133    H6     C  12           H6         C  12  -1.038  -6.588  16.514
  134   1H5*    G  13          1H5*        G  13  -6.494  -6.698  12.922
  135   2H5*    G  13          2H5*        G  13  -6.477  -6.442  11.172
  136    H4*    G  13           H4*        G  13  -7.338  -4.465  12.359
  137    H3*    G  13           H3*        G  13  -4.587  -4.023  11.181
  138    H2*    G  13           H2*        G  13  -4.937  -1.691  11.564
  139   2HO*    G  13          2HO*        G  13  -7.404  -1.910  11.260
  140    H1*    G  13           H1*        G  13  -5.660  -2.181  14.153
  141    H8     G  13           H8         G  13  -3.186  -4.874  13.068
  142    H1     G  13           H1         G  13  -0.318   0.609  14.751
  143   1H2     G  13          1H2         G  13  -1.818   2.205  15.057
  144   2H2     G  13          2H2         G  13  -3.520   1.949  14.774
  145   1H5*    A  14          1H5*        A  14  -8.354  -1.571   7.878
  146   2H5*    A  14          2H5*        A  14  -7.097  -0.928   8.967
  147    H4*    A  14           H4*        A  14 -10.111  -0.634   9.365
  148    H3*    A  14           H3*        A  14  -8.095   1.312   8.213
  149    H2*    A  14           H2*        A  14  -9.399   3.075   9.179
  150   2HO*    A  14          2HO*        A  14 -11.510   2.010   8.864
  151    H1*    A  14           H1*        A  14  -9.495   1.927  11.613
  152    H8     A  14           H8         A  14  -6.239   0.547  10.926
  153   1H6     A  14          1H6         A  14  -3.923   6.263  11.773
  154   2H6     A  14          2H6         A  14  -3.495   4.553  11.660
  155    H2     A  14           H2         A  14  -8.222   6.642  10.897
  156   1H5*    A  15          1H5*        A  15  -9.038   3.653   4.903
  157   2H5*    A  15          2H5*        A  15  -7.980   3.073   6.211
  158    H4*    A  15           H4*        A  15  -9.344   5.811   6.134
  159    H3*    A  15           H3*        A  15  -6.610   4.902   5.236
  160    H2*    A  15           H2*        A  15  -5.672   6.968   6.041
  161   2HO*    A  15          2HO*        A  15  -7.797   8.070   5.406
  162    H1*    A  15           H1*        A  15  -6.864   6.868   8.470
  163    H8     A  15           H8         A  15  -6.628   3.266   8.036
  164   1H6     A  15          1H6         A  15  -0.425   3.712   8.370
  165   2H6     A  15          2H6         A  15  -1.760   2.555   8.232
  166    H2     A  15           H2         A  15  -2.055   7.769   8.347
  167   1H5*    G  16          1H5*        G  16  -6.405   8.790   4.038
  168   2H5*    G  16          2H5*        G  16  -5.916   8.902   2.339
  169    H4*    G  16           H4*        G  16  -4.399  10.130   3.885
  170    H3*    G  16           H3*        G  16  -3.263   7.804   2.320
  171    H2*    G  16           H2*        G  16  -1.094   8.449   3.175
  172   2HO*    G  16          2HO*        G  16  -1.818  10.792   3.048
  173    H1*    G  16           H1*        G  16  -1.942   8.778   5.747
  174    H8     G  16           H8         G  16  -3.969   5.823   4.686
  175    H1     G  16           H1         G  16   2.275   4.413   5.385
  176   1H2     G  16          2H2         G  16   3.483   6.318   5.315
  177   2H2     G  16          1H2         G  16   2.666   7.880   5.310
  178   1H5*    C  17          1H5*        C  17  -0.526  11.021   1.611
  179   2H5*    C  17          2H5*        C  17  -0.151  11.087  -0.120
  180    H4*    C  17           H4*        C  17   1.880  10.869   1.295
  181    H3*    C  17           H3*        C  17   1.222   8.569  -0.562
  182    H2*    C  17           H2*        C  17   3.375   7.660   0.032
  183   2HO*    C  17          2HO*        C  17   4.266   9.929   0.100
  184    H1*    C  17           H1*        C  17   3.119   8.207   2.714
  185   1H4     C  17          2H4         C  17   1.413   2.156   2.256
  186   2H4     C  17          1H4         C  17  -0.277   2.605   2.058
  187    H5     C  17           H5         C  17  -0.965   4.952   1.650
  188    H6     C  17           H6         C  17  -0.174   7.228   1.544
  189   1H5*    C  18          1H5*        C  18   5.378   9.811  -1.445
  190   2H5*    C  18          2H5*        C  18   5.583   9.760  -3.206
  191    H4*    C  18           H4*        C  18   7.262   8.355  -2.021
  192    H3*    C  18           H3*        C  18   5.235   6.899  -3.757
  193    H2*    C  18           H2*        C  18   6.469   4.909  -3.360
  194   2HO*    C  18          2HO*        C  18   8.528   4.961  -2.356
  195    H1*    C  18           H1*        C  18   7.009   5.507  -0.669
  196   1H4     C  18          2H4         C  18   2.394   1.214  -0.609
  197   2H4     C  18          1H4         C  18   1.147   2.434  -0.855
  198    H5     C  18           H5         C  18   1.733   4.787  -1.408
  199    H6     C  18           H6         C  18   3.573   6.335  -1.670
  200    H3T    C  18           H3T        C  18   7.972   7.241  -4.236
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   5.929  -8.327   1.058
    2   2H5*    G   1          2H5*        G   1   6.574  -8.166   2.699
    3    H4*    G   1           H4*        G   1   8.125  -7.118   1.202
    4    H3*    G   1           H3*        G   1   6.471  -5.053   2.682
    5    H2*    G   1           H2*        G   1   7.933  -3.398   1.756
    6   2HO*    G   1          2HO*        G   1   9.815  -4.904   1.931
    7    H1*    G   1           H1*        G   1   7.784  -4.410  -0.773
    8    H8     G   1           H8         G   1   4.347  -5.171   0.420
    9    H1     G   1           H1         G   1   5.237   1.140  -0.474
   10   1H2     G   1          2H2         G   1   7.435   1.568  -0.607
   11   2H2     G   1          1H2         G   1   8.621   0.262  -0.548
   12    H5T    G   1           H5T        G   1   5.104  -6.532   3.101
   13   1H5*    G   2          1H5*        G   2  10.397  -3.909   3.627
   14   2H5*    G   2          2H5*        G   2  10.489  -3.461   5.339
   15    H4*    G   2           H4*        G   2  11.199  -1.636   3.810
   16    H3*    G   2           H3*        G   2   8.730  -1.140   5.490
   17    H2*    G   2           H2*        G   2   8.799   1.129   4.664
   18   2HO*    G   2          2HO*        G   2  11.238   1.037   4.697
   19    H1*    G   2           H1*        G   2   9.229   0.426   2.071
   20    H8     G   2           H8         G   2   6.842  -2.194   3.369
   21    H1     G   2           H1         G   2   4.120   3.587   2.617
   22   1H2     G   2          2H2         G   2   5.735   5.148   2.520
   23   2H2     G   2          1H2         G   2   7.434   4.678   2.426
   24   1H5*    C   3          1H5*        C   3  11.256   2.319   6.107
   25   2H5*    C   3          2H5*        C   3  11.245   2.738   7.827
   26    H4*    C   3           H4*        C   3  10.557   4.618   6.327
   27    H3*    C   3           H3*        C   3   8.520   3.580   8.319
   28    H2*    C   3           H2*        C   3   7.174   5.463   7.662
   29   2HO*    C   3          2HO*        C   3   9.221   6.787   7.458
   30    H1*    C   3           H1*        C   3   7.664   5.204   4.979
   31   1H4     C   3          2H4         C   3   2.057   2.325   5.800
   32   2H4     C   3          1H4         C   3   2.908   0.811   5.987
   33    H5     C   3           H5         C   3   5.310   0.614   6.249
   34    H6     C   3           H6         C   3   7.395   1.821   6.202
   35   1H5*    U   4          1H5*        U   4   8.049   7.580   9.079
   36   2H5*    U   4          2H5*        U   4   7.944   7.844  10.829
   37    H4*    U   4           H4*        U   4   5.859   8.496   9.668
   38    H3*    U   4           H3*        U   4   5.634   6.102  11.509
   39    H2*    U   4           H2*        U   4   3.250   6.220  11.121
   40   2HO*    U   4          2HO*        U   4   3.203   8.573  11.084
   41    H1*    U   4           H1*        U   4   3.485   6.576   8.421
   42    H3     U   4           H3         U   4   1.843   2.350   9.159
   43    H5     U   4           H5         U   4   6.003   1.968   9.552
   44    H6     U   4           H6         U   4   6.203   4.367   9.416
   45   1H5*    A   5          1H5*        A   5   2.590   9.135  12.609
   46   2H5*    A   5          2H5*        A   5   2.291   9.069  14.352
   47    H4*    A   5           H4*        A   5   0.243   8.669  12.936
   48    H3*    A   5           H3*        A   5   1.169   6.311  14.594
   49    H2*    A   5           H2*        A   5  -0.983   5.350  14.151
   50   2HO*    A   5          2HO*        A   5  -2.128   7.512  14.043
   51    H1*    A   5           H1*        A   5  -0.689   5.867  11.476
   52    H8     A   5           H8         A   5   2.734   5.134  13.086
   53   1H6     A   5          1H6         A   5   1.449  -0.820  11.836
   54   2H6     A   5          2H6         A   5   2.717   0.283  12.363
   55    H2     A   5           H2         A   5  -2.165   1.519  10.995
   56   1H5*    A   6          1H5*        A   6  -3.135   8.335  17.307
   57   2H5*    A   6          2H5*        A   6  -2.632   6.842  16.479
   58    H4*    A   6           H4*        A   6  -4.915   8.657  15.563
   59    H3*    A   6           H3*        A   6  -4.941   6.058  17.142
   60    H2*    A   6           H2*        A   6  -7.107   5.697  16.158
   61   2HO*    A   6          2HO*        A   6  -7.528   8.105  16.371
   62    H1*    A   6           H1*        A   6  -6.318   6.583  13.646
   63    H8     A   6           H8         A   6  -3.464   4.456  14.680
   64   1H6     A   6          1H6         A   6  -7.046  -0.426  13.211
   65   2H6     A   6          2H6         A   6  -5.403   0.030  13.650
   66    H2     A   6           H2         A   6  -9.626   3.117  13.400
   67   1H5*    G   7          1H5*        G   7  -8.765   6.804  17.906
   68   2H5*    G   7          2H5*        G   7  -9.120   6.454  19.609
   69    H4*    G   7           H4*        G   7 -10.345   4.944  18.096
   70    H3*    G   7           H3*        G   7  -8.199   3.616  19.769
   71    H2*    G   7           H2*        G   7  -9.005   1.510  18.871
   72   2HO*    G   7          2HO*        G   7 -11.275   2.449  18.844
   73    H1*    G   7           H1*        G   7  -9.056   2.362  16.298
   74    H8     G   7           H8         G   7  -6.084   4.167  17.777
   75    H1     G   7           H1         G   7  -5.006  -2.101  16.832
   76   1H2     G   7          2H2         G   7  -6.939  -3.145  16.470
   77   2H2     G   7          1H2         G   7  -8.449  -2.241  16.329
   78   1H5*    A   8          1H5*        A   8 -11.675   1.186  20.189
   79   2H5*    A   8          2H5*        A   8 -11.859   0.640  21.862
   80    H4*    A   8           H4*        A   8 -11.715  -1.213  20.165
   81    H3*    A   8           H3*        A   8  -9.641  -1.049  22.360
   82    H2*    A   8           H2*        A   8  -8.821  -3.186  21.564
   83   2HO*    A   8          2HO*        A   8 -11.153  -3.790  21.060
   84    H1*    A   8           H1*        A   8  -8.893  -2.505  18.915
   85    H8     A   8           H8         A   8  -7.725   0.692  20.477
   86   1H6     A   8          1H6         A   8  -2.075  -1.930  20.221
   87   2H6     A   8          2H6         A   8  -2.945  -0.408  20.359
   88    H2     A   8           H2         A   8  -5.090  -5.139  19.825
   89   1H5*    C   9          1H5*        C   9 -11.127  -5.066  22.598
   90   2H5*    C   9          2H5*        C   9 -11.402  -5.497  24.298
   91    H4*    C   9           H4*        C   9  -9.784  -7.036  23.215
   92    H3*    C   9           H3*        C   9  -8.645  -5.209  25.362
   93    H2*    C   9           H2*        C   9  -6.597  -6.397  25.163
   94   2HO*    C   9          2HO*        C   9  -6.462  -8.303  23.876
   95    H1*    C   9           H1*        C   9  -6.707  -6.550  22.382
   96   1H4     C   9          2H4         C   9  -2.805  -1.756  23.420
   97   2H4     C   9          1H4         C   9  -4.128  -0.606  23.623
   98    H5     C   9           H5         C   9  -6.488  -1.369  23.743
   99    H6     C   9           H6         C   9  -7.923  -3.297  23.562
  100    H3T    C   9           H3T        C   9  -9.013  -7.985  25.476
  101   1H5*    G  10          1H5*        G  10   6.926  -5.175  21.562
  102   2H5*    G  10          2H5*        G  10   7.026  -6.496  20.390
  103    H4*    G  10           H4*        G  10   6.011  -7.524  22.204
  104    H3*    G  10           H3*        G  10   3.746  -6.549  20.430
  105    H2*    G  10           H2*        G  10   2.238  -7.645  21.847
  106   2HO*    G  10          2HO*        G  10   3.832  -9.445  22.181
  107    H1*    G  10           H1*        G  10   3.376  -6.720  24.145
  108    H8     G  10           H8         G  10   3.999  -3.631  22.413
  109    H1     G  10           H1         G  10  -2.323  -4.525  23.193
  110   1H2     G  10          2H2         G  10  -2.739  -6.713  23.395
  111   2H2     G  10          1H2         G  10  -1.425  -7.884  23.525
  112    H5T    G  10           H5T        G  10   5.318  -5.674  19.269
  113   1H5*    U  11          1H5*        U  11   2.875 -10.407  19.776
  114   2H5*    U  11          2H5*        U  11   2.602 -10.712  18.052
  115    H4*    U  11           H4*        U  11   0.540 -10.972  19.358
  116    H3*    U  11           H3*        U  11   0.572  -8.584  17.497
  117    H2*    U  11           H2*        U  11  -1.749  -8.290  18.091
  118   2HO*    U  11          2HO*        U  11  -2.060 -10.678  18.166
  119    H1*    U  11           H1*        U  11  -1.384  -8.655  20.748
  120    H3     U  11           H3         U  11  -2.340  -4.254  19.904
  121    H5     U  11           H5         U  11   1.831  -4.575  19.484
  122    H6     U  11           H6         U  11   1.618  -6.977  19.664
  123   1H5*    C  12          1H5*        C  12  -3.084 -10.825  16.592
  124   2H5*    C  12          2H5*        C  12  -3.403 -10.719  14.853
  125    H4*    C  12           H4*        C  12  -5.250  -9.842  16.336
  126    H3*    C  12           H3*        C  12  -3.960  -7.983  14.325
  127    H2*    C  12           H2*        C  12  -5.621  -6.363  14.955
  128   2HO*    C  12          2HO*        C  12  -7.224  -8.214  15.167
  129    H1*    C  12           H1*        C  12  -5.495  -6.879  17.658
  130   1H4     C  12          2H4         C  12  -2.105  -1.688  16.907
  131   2H4     C  12          1H4         C  12  -0.594  -2.593  16.757
  132    H5     C  12           H5         C  12  -0.629  -5.084  16.476
  133    H6     C  12           H6         C  12  -2.072  -7.024  16.500
  134   1H5*    G  13          1H5*        G  13  -7.868  -6.838  13.617
  135   2H5*    G  13          2H5*        G  13  -8.103  -6.804  11.862
  136    H4*    G  13           H4*        G  13  -8.425  -4.579  12.798
  137    H3*    G  13           H3*        G  13  -5.928  -4.886  11.121
  138    H2*    G  13           H2*        G  13  -5.627  -2.524  11.301
  139   2HO*    G  13          2HO*        G  13  -7.896  -1.993  11.084
  140    H1*    G  13           H1*        G  13  -6.161  -2.420  13.997
  141    H8     G  13           H8         G  13  -4.319  -5.627  12.951
  142    H1     G  13           H1         G  13  -0.435  -0.588  13.806
  143   1H2     G  13          1H2         G  13  -1.621   1.226  14.252
  144   2H2     G  13          2H2         G  13  -3.365   1.218  14.273
  145   1H5*    A  14          1H5*        A  14  -7.686  -1.417   7.247
  146   2H5*    A  14          2H5*        A  14  -6.542  -0.958   8.533
  147    H4*    A  14           H4*        A  14  -9.499  -0.194   8.473
  148    H3*    A  14           H3*        A  14  -7.017   1.311   7.604
  149    H2*    A  14           H2*        A  14  -8.084   3.336   8.359
  150   2HO*    A  14          2HO*        A  14 -10.232   2.395   7.625
  151    H1*    A  14           H1*        A  14  -8.893   2.285  10.747
  152    H8     A  14           H8         A  14  -5.651   0.526  10.416
  153   1H6     A  14          1H6         A  14  -2.974   5.978  11.844
  154   2H6     A  14          2H6         A  14  -2.651   4.259  11.607
  155    H2     A  14           H2         A  14  -7.157   6.760  10.731
  156   1H5*    A  15          1H5*        A  15  -9.565   4.184   6.309
  157   2H5*    A  15          2H5*        A  15  -9.170   4.566   4.623
  158    H4*    A  15           H4*        A  15  -8.979   6.550   6.048
  159    H3*    A  15           H3*        A  15  -6.390   5.502   4.885
  160    H2*    A  15           H2*        A  15  -5.309   7.442   5.825
  161   2HO*    A  15          2HO*        A  15  -7.354   8.718   5.327
  162    H1*    A  15           H1*        A  15  -6.517   7.275   8.259
  163    H8     A  15           H8         A  15  -6.031   3.692   7.373
  164   1H6     A  15          1H6         A  15  -0.033   4.486   8.817
  165   2H6     A  15          2H6         A  15  -1.259   3.278   8.400
  166    H2     A  15           H2         A  15  -1.931   8.443   8.753
  167   1H5*    G  16          1H5*        G  16  -5.942   9.558   4.058
  168   2H5*    G  16          2H5*        G  16  -5.399   9.745   2.382
  169    H4*    G  16           H4*        G  16  -3.803  10.709   4.011
  170    H3*    G  16           H3*        G  16  -2.851   8.341   2.387
  171    H2*    G  16           H2*        G  16  -0.665   8.732   3.348
  172   2HO*    G  16          2HO*        G  16  -1.091  11.127   3.273
  173    H1*    G  16           H1*        G  16  -1.573   9.061   5.896
  174    H8     G  16           H8         G  16  -3.790   6.364   4.461
  175    H1     G  16           H1         G  16   2.112   4.288   5.959
  176   1H2     G  16          1H2         G  16   3.456   5.836   6.020
  177   2H2     G  16          2H2         G  16   3.138   7.498   5.861
  178   1H5*    C  17          1H5*        C  17   0.077  11.506   1.841
  179   2H5*    C  17          2H5*        C  17   0.659  11.506   0.167
  180    H4*    C  17           H4*        C  17   2.470  11.219   1.874
  181    H3*    C  17           H3*        C  17   2.007   8.956  -0.086
  182    H2*    C  17           H2*        C  17   4.034   7.977   0.823
  183   2HO*    C  17          2HO*        C  17   4.895  10.280   1.124
  184    H1*    C  17           H1*        C  17   3.353   8.464   3.429
  185   1H4     C  17          2H4         C  17   1.477   2.543   2.617
  186   2H4     C  17          1H4         C  17  -0.168   3.056   2.240
  187    H5     C  17           H5         C  17  -0.672   5.443   1.711
  188    H6     C  17           H6         C  17   0.251   7.675   1.719
  189   1H5*    C  18          1H5*        C  18   6.175   9.944  -0.151
  190   2H5*    C  18          2H5*        C  18   6.761  10.129  -1.805
  191    H4*    C  18           H4*        C  18   8.098   8.558  -0.335
  192    H3*    C  18           H3*        C  18   7.583   8.328  -3.064
  193    H2*    C  18           H2*        C  18   5.824   6.752  -2.816
  194   2HO*    C  18          2HO*        C  18   6.808   4.619  -3.144
  195    H1*    C  18           H1*        C  18   7.475   5.449  -0.621
  196   1H4     C  18          2H4         C  18   2.451   1.654  -0.318
  197   2H4     C  18          1H4         C  18   1.285   2.976  -0.375
  198    H5     C  18           H5         C  18   2.034   5.332  -0.739
  199    H6     C  18           H6         C  18   3.991   6.751  -0.950
  200    H3T    C  18           H3T        C  18   9.119   6.429  -2.688
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   6.209  -8.725   1.070
    2   2H5*    G   1          2H5*        G   1   6.803  -8.533   2.728
    3    H4*    G   1           H4*        G   1   8.359  -7.442   1.266
    4    H3*    G   1           H3*        G   1   6.597  -5.423   2.686
    5    H2*    G   1           H2*        G   1   8.037  -3.731   1.791
    6   2HO*    G   1          2HO*        G   1   9.959  -5.171   2.034
    7    H1*    G   1           H1*        G   1   7.999  -4.767  -0.732
    8    H8     G   1           H8         G   1   4.548  -5.591   0.408
    9    H1     G   1           H1         G   1   5.316   0.714  -0.631
   10   1H2     G   1          2H2         G   1   7.504   1.190  -0.747
   11   2H2     G   1          1H2         G   1   8.717  -0.087  -0.640
   12    H5T    G   1           H5T        G   1   5.269  -6.945   3.078
   13   1H5*    G   2          1H5*        G   2  10.475  -4.173   3.712
   14   2H5*    G   2          2H5*        G   2  10.513  -3.666   5.409
   15    H4*    G   2           H4*        G   2  11.215  -1.881   3.820
   16    H3*    G   2           H3*        G   2   8.723  -1.382   5.462
   17    H2*    G   2           H2*        G   2   8.750   0.860   4.559
   18   2HO*    G   2          2HO*        G   2  11.184   0.836   4.620
   19    H1*    G   2           H1*        G   2   9.224   0.081   1.996
   20    H8     G   2           H8         G   2   6.863  -2.535   3.356
   21    H1     G   2           H1         G   2   4.057   3.165   2.329
   22   1H2     G   2          2H2         G   2   5.663   4.748   2.142
   23   2H2     G   2          1H2         G   2   7.367   4.288   2.108
   24   1H5*    C   3          1H5*        C   3  11.257   2.118   5.998
   25   2H5*    C   3          2H5*        C   3  11.187   2.631   7.691
   26    H4*    C   3           H4*        C   3  10.540   4.416   6.052
   27    H3*    C   3           H3*        C   3   8.455   3.501   8.054
   28    H2*    C   3           H2*        C   3   7.121   5.330   7.239
   29   2HO*    C   3          2HO*        C   3   9.170   6.647   6.997
   30    H1*    C   3           H1*        C   3   7.673   4.893   4.594
   31   1H4     C   3          2H4         C   3   2.061   2.035   5.536
   32   2H4     C   3          1H4         C   3   2.921   0.551   5.859
   33    H5     C   3           H5         C   3   5.317   0.395   6.187
   34    H6     C   3           H6         C   3   7.395   1.610   6.082
   35   1H5*    U   4          1H5*        U   4   7.955   7.545   8.524
   36   2H5*    U   4          2H5*        U   4   7.788   7.933  10.245
   37    H4*    U   4           H4*        U   4   5.746   8.487   8.951
   38    H3*    U   4           H3*        U   4   5.462   6.271  10.995
   39    H2*    U   4           H2*        U   4   3.095   6.325  10.511
   40   2HO*    U   4          2HO*        U   4   3.175   8.719  10.230
   41    H1*    U   4           H1*        U   4   3.417   6.445   7.801
   42    H3     U   4           H3         U   4   1.758   2.303   8.890
   43    H5     U   4           H5         U   4   5.912   1.964   9.380
   44    H6     U   4           H6         U   4   6.113   4.342   9.041
   45   1H5*    A   5          1H5*        A   5   2.239   9.154  11.713
   46   2H5*    A   5          2H5*        A   5   1.934   9.253  13.454
   47    H4*    A   5           H4*        A   5  -0.074   8.554  12.132
   48    H3*    A   5           H3*        A   5   1.062   6.565  14.110
   49    H2*    A   5           H2*        A   5  -0.915   5.241  13.687
   50   2HO*    A   5          2HO*        A   5  -2.360   7.100  13.537
   51    H1*    A   5           H1*        A   5  -0.794   5.581  10.949
   52    H8     A   5           H8         A   5   2.707   5.204  12.510
   53   1H6     A   5          1H6         A   5   1.657  -0.921  12.177
   54   2H6     A   5          2H6         A   5   2.897   0.294  12.482
   55    H2     A   5           H2         A   5  -2.053   1.124  11.032
   56   1H5*    A   6          1H5*        A   6  -2.696   6.820  17.845
   57   2H5*    A   6          2H5*        A   6  -3.281   5.481  16.862
   58    H4*    A   6           H4*        A   6  -3.554   8.461  16.276
   59    H3*    A   6           H3*        A   6  -5.368   6.212  17.074
   60    H2*    A   6           H2*        A   6  -7.059   6.695  15.541
   61   2HO*    A   6          2HO*        A   6  -6.504   9.099  15.881
   62    H1*    A   6           H1*        A   6  -5.487   6.984  13.377
   63    H8     A   6           H8         A   6  -3.083   4.706  14.667
   64   1H6     A   6          1H6         A   6  -6.972   0.044  13.485
   65   2H6     A   6          2H6         A   6  -5.310   0.459  13.886
   66    H2     A   6           H2         A   6  -9.347   3.772  13.532
   67   1H5*    G   7          1H5*        G   7  -8.198   7.390  17.982
   68   2H5*    G   7          2H5*        G   7  -8.705   7.034  19.645
   69    H4*    G   7           H4*        G   7  -9.652   5.465  17.951
   70    H3*    G   7           H3*        G   7  -7.714   4.219  19.926
   71    H2*    G   7           H2*        G   7  -8.431   2.099  18.975
   72   2HO*    G   7          2HO*        G   7 -10.677   3.010  18.688
   73    H1*    G   7           H1*        G   7  -8.227   2.975  16.394
   74    H8     G   7           H8         G   7  -5.322   4.541  18.270
   75    H1     G   7           H1         G   7  -4.540  -1.741  17.128
   76   1H2     G   7          2H2         G   7  -6.509  -2.654  16.623
   77   2H2     G   7          1H2         G   7  -7.945  -1.650  16.406
   78   1H5*    A   8          1H5*        A   8 -11.308   1.865  19.992
   79   2H5*    A   8          2H5*        A   8 -11.662   1.313  21.635
   80    H4*    A   8           H4*        A   8 -11.430  -0.529  19.935
   81    H3*    A   8           H3*        A   8  -9.545  -0.469  22.301
   82    H2*    A   8           H2*        A   8  -8.767  -2.639  21.549
   83   2HO*    A   8          2HO*        A   8 -11.069  -3.135  20.851
   84    H1*    A   8           H1*        A   8  -8.593  -1.925  18.912
   85    H8     A   8           H8         A   8  -7.396   1.164  20.690
   86   1H6     A   8          1H6         A   8  -1.876  -1.741  20.724
   87   2H6     A   8          2H6         A   8  -2.673  -0.180  20.875
   88    H2     A   8           H2         A   8  -5.003  -4.759  19.940
   89   1H5*    C   9          1H5*        C   9 -11.274  -4.418  22.340
   90   2H5*    C   9          2H5*        C   9 -11.683  -4.868  24.008
   91    H4*    C   9           H4*        C   9 -10.090  -6.476  22.985
   92    H3*    C   9           H3*        C   9  -8.994  -4.777  25.256
   93    H2*    C   9           H2*        C   9  -7.012  -6.087  25.159
   94   2HO*    C   9          2HO*        C   9  -6.907  -7.964  23.826
   95    H1*    C   9           H1*        C   9  -6.943  -6.161  22.373
   96   1H4     C   9          2H4         C   9  -2.840  -1.647  23.838
   97   2H4     C   9          1H4         C   9  -4.104  -0.428  24.013
   98    H5     C   9           H5         C   9  -6.506  -1.049  23.951
   99    H6     C   9           H6         C   9  -8.038  -2.877  23.598
  100    H3T    C   9           H3T        C   9  -9.537  -7.527  25.265
  101   1H5*    G  10          1H5*        G  10   6.796  -5.568  22.594
  102   2H5*    G  10          2H5*        G  10   6.916  -6.865  21.397
  103    H4*    G  10           H4*        G  10   5.701  -7.874  23.095
  104    H3*    G  10           H3*        G  10   3.646  -6.724  21.177
  105    H2*    G  10           H2*        G  10   1.968  -7.765  22.436
  106   2HO*    G  10          2HO*        G  10   3.426  -9.665  22.842
  107    H1*    G  10           H1*        G  10   2.969  -6.968  24.845
  108    H8     G  10           H8         G  10   3.902  -3.876  23.272
  109    H1     G  10           H1         G  10  -2.503  -4.419  23.513
  110   1H2     G  10          2H2         G  10  -3.058  -6.583  23.609
  111   2H2     G  10          1H2         G  10  -1.827  -7.833  23.801
  112    H5T    G  10           H5T        G  10   5.350  -5.919  20.169
  113   1H5*    U  11          1H5*        U  11   2.605 -10.500  20.369
  114   2H5*    U  11          2H5*        U  11   2.453 -10.761  18.623
  115    H4*    U  11           H4*        U  11   0.284 -10.922  19.760
  116    H3*    U  11           H3*        U  11   0.597  -8.515  17.951
  117    H2*    U  11           H2*        U  11  -1.740  -8.092  18.369
  118   2HO*    U  11          2HO*        U  11  -2.206 -10.450  18.370
  119    H1*    U  11           H1*        U  11  -1.613  -8.518  21.037
  120    H3     U  11           H3         U  11  -2.243  -4.053  20.237
  121    H5     U  11           H5         U  11   1.923  -4.613  20.149
  122    H6     U  11           H6         U  11   1.557  -7.002  20.235
  123   1H5*    C  12          1H5*        C  12  -3.096 -10.564  16.728
  124   2H5*    C  12          2H5*        C  12  -3.280 -10.408  14.973
  125    H4*    C  12           H4*        C  12  -5.188  -9.471  16.338
  126    H3*    C  12           H3*        C  12  -3.666  -7.640  14.469
  127    H2*    C  12           H2*        C  12  -5.287  -5.948  15.013
  128   2HO*    C  12          2HO*        C  12  -6.989  -7.720  15.069
  129    H1*    C  12           H1*        C  12  -5.383  -6.522  17.707
  130   1H4     C  12          2H4         C  12  -1.663  -1.518  17.377
  131   2H4     C  12          1H4         C  12  -0.200  -2.502  17.264
  132    H5     C  12           H5         C  12  -0.355  -4.974  16.897
  133    H6     C  12           H6         C  12  -1.900  -6.827  16.761
  134   1H5*    G  13          1H5*        G  13  -7.543  -6.410  13.498
  135   2H5*    G  13          2H5*        G  13  -7.641  -6.312  11.734
  136    H4*    G  13           H4*        G  13  -8.042  -4.127  12.735
  137    H3*    G  13           H3*        G  13  -5.425  -4.347  11.230
  138    H2*    G  13           H2*        G  13  -5.209  -1.968  11.515
  139   2HO*    G  13          2HO*        G  13  -7.509  -1.536  11.207
  140    H1*    G  13           H1*        G  13  -5.866  -2.008  14.170
  141    H8     G  13           H8         G  13  -3.955  -5.171  13.105
  142    H1     G  13           H1         G  13  -0.140  -0.200  14.486
  143   1H2     G  13          1H2         G  13  -1.350   1.625  14.843
  144   2H2     G  13          2H2         G  13  -3.087   1.629  14.654
  145   1H5*    A  14          1H5*        A  14  -9.369  -2.161   9.829
  146   2H5*    A  14          2H5*        A  14  -9.269  -1.931   8.073
  147    H4*    A  14           H4*        A  14 -10.454  -0.085   9.253
  148    H3*    A  14           H3*        A  14  -7.910   0.583   7.766
  149    H2*    A  14           H2*        A  14  -8.308   2.876   8.298
  150   2HO*    A  14          2HO*        A  14 -10.594   2.745   7.829
  151    H1*    A  14           H1*        A  14  -9.203   2.434  10.878
  152    H8     A  14           H8         A  14  -6.191   0.229  10.373
  153   1H6     A  14          1H6         A  14  -2.953   5.456  11.553
  154   2H6     A  14          2H6         A  14  -2.761   3.715  11.360
  155    H2     A  14           H2         A  14  -7.083   6.570  10.693
  156   1H5*    A  15          1H5*        A  15  -8.234   3.645   4.192
  157   2H5*    A  15          2H5*        A  15  -7.235   3.156   5.568
  158    H4*    A  15           H4*        A  15  -9.114   5.562   5.606
  159    H3*    A  15           H3*        A  15  -6.237   5.233   4.771
  160    H2*    A  15           H2*        A  15  -5.611   7.261   5.865
  161   2HO*    A  15          2HO*        A  15  -7.840   8.153   5.236
  162    H1*    A  15           H1*        A  15  -6.898   6.748   8.194
  163    H8     A  15           H8         A  15  -6.130   3.276   7.481
  164   1H6     A  15          1H6         A  15  -0.121   4.454   8.527
  165   2H6     A  15          2H6         A  15  -1.309   3.172   8.255
  166    H2     A  15           H2         A  15  -2.243   8.304   8.415
  167   1H5*    G  16          1H5*        G  16  -6.074   9.043   4.026
  168   2H5*    G  16          2H5*        G  16  -5.619   9.332   2.336
  169    H4*    G  16           H4*        G  16  -3.986  10.324   3.878
  170    H3*    G  16           H3*        G  16  -3.014   7.982   2.227
  171    H2*    G  16           H2*        G  16  -0.811   8.411   3.114
  172   2HO*    G  16          2HO*        G  16  -1.317  10.804   3.061
  173    H1*    G  16           H1*        G  16  -1.638   8.722   5.695
  174    H8     G  16           H8         G  16  -3.913   6.012   4.481
  175    H1     G  16           H1         G  16   2.111   3.982   5.477
  176   1H2     G  16          1H2         G  16   3.447   5.537   5.413
  177   2H2     G  16          2H2         G  16   3.109   7.198   5.273
  178   1H5*    C  17          1H5*        C  17  -0.096  11.118   1.613
  179   2H5*    C  17          2H5*        C  17   0.310  11.185  -0.111
  180    H4*    C  17           H4*        C  17   2.304  10.860   1.341
  181    H3*    C  17           H3*        C  17   1.584   8.613  -0.560
  182    H2*    C  17           H2*        C  17   3.686   7.604   0.067
  183   2HO*    C  17          2HO*        C  17   4.650   9.855   0.189
  184    H1*    C  17           H1*        C  17   3.397   8.150   2.751
  185   1H4     C  17          2H4         C  17   1.517   2.176   2.291
  186   2H4     C  17          1H4         C  17  -0.159   2.659   2.042
  187    H5     C  17           H5         C  17  -0.761   5.028   1.563
  188    H6     C  17           H6         C  17   0.109   7.282   1.465
  189   1H5*    C  18          1H5*        C  18   5.836   9.583  -1.305
  190   2H5*    C  18          2H5*        C  18   6.029   9.644  -3.065
  191    H4*    C  18           H4*        C  18   7.652   8.088  -2.092
  192    H3*    C  18           H3*        C  18   5.418   6.717  -3.648
  193    H2*    C  18           H2*        C  18   6.696   4.717  -3.434
  194   2HO*    C  18          2HO*        C  18   8.734   6.021  -3.744
  195    H1*    C  18           H1*        C  18   7.391   5.220  -0.783
  196   1H4     C  18          2H4         C  18   2.558   1.172  -0.513
  197   2H4     C  18          1H4         C  18   1.359   2.446  -0.728
  198    H5     C  18           H5         C  18   2.040   4.772  -1.302
  199    H6     C  18           H6         C  18   3.945   6.229  -1.614
  200    H3T    C  18           H3T        C  18   6.685   8.132  -4.887
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   3.805  -8.129   1.472
    2   2H5*    G   1          2H5*        G   1   5.079  -8.264   2.693
    3    H4*    G   1           H4*        G   1   6.243  -7.592   0.792
    4    H3*    G   1           H3*        G   1   5.587  -5.055   2.332
    5    H2*    G   1           H2*        G   1   6.964  -3.886   0.822
    6   2HO*    G   1          2HO*        G   1   8.473  -5.769   0.662
    7    H1*    G   1           H1*        G   1   5.825  -5.022  -1.376
    8    H8     G   1           H8         G   1   2.721  -5.074   0.452
    9    H1     G   1           H1         G   1   4.488   0.999  -0.706
   10   1H2     G   1          2H2         G   1   6.701   1.083  -1.023
   11   2H2     G   1          1H2         G   1   7.665  -0.392  -1.117
   12    H5T    G   1           H5T        G   1   4.455  -6.341   3.591
   13   1H5*    G   2          1H5*        G   2   9.517  -4.756   2.949
   14   2H5*    G   2          2H5*        G   2   9.876  -4.326   4.629
   15    H4*    G   2           H4*        G   2  10.482  -2.554   2.998
   16    H3*    G   2           H3*        G   2   8.312  -1.890   4.997
   17    H2*    G   2           H2*        G   2   8.357   0.345   4.114
   18   2HO*    G   2          2HO*        G   2  10.789   0.119   3.838
   19    H1*    G   2           H1*        G   2   8.481  -0.385   1.493
   20    H8     G   2           H8         G   2   6.045  -2.823   2.916
   21    H1     G   2           H1         G   2   3.726   3.175   2.587
   22   1H2     G   2          2H2         G   2   5.471   4.617   2.382
   23   2H2     G   2          1H2         G   2   7.109   3.991   2.187
   24   1H5*    C   3          1H5*        C   3  11.087   1.438   5.123
   25   2H5*    C   3          2H5*        C   3  11.407   1.855   6.813
   26    H4*    C   3           H4*        C   3  10.538   3.775   5.428
   27    H3*    C   3           H3*        C   3   9.025   2.809   7.857
   28    H2*    C   3           H2*        C   3   7.417   4.455   7.493
   29   2HO*    C   3          2HO*        C   3   8.933   6.172   7.212
   30    H1*    C   3           H1*        C   3   7.566   4.534   4.695
   31   1H4     C   3          2H4         C   3   1.933   1.998   5.876
   32   2H4     C   3          1H4         C   3   2.628   0.386   5.989
   33    H5     C   3           H5         C   3   5.072   0.019   6.046
   34    H6     C   3           H6         C   3   7.218   1.109   5.825
   35   1H5*    U   4          1H5*        U   4   8.186   6.041  11.183
   36   2H5*    U   4          2H5*        U   4   7.621   4.687  10.201
   37    H4*    U   4           H4*        U   4   6.991   7.585   9.503
   38    H3*    U   4           H3*        U   4   5.608   5.664  11.374
   39    H2*    U   4           H2*        U   4   3.470   6.409  10.577
   40   2HO*    U   4          2HO*        U   4   4.436   8.660  10.307
   41    H1*    U   4           H1*        U   4   4.112   6.285   7.944
   42    H3     U   4           H3         U   4   1.431   2.686   9.083
   43    H5     U   4           H5         U   4   5.389   1.343   9.397
   44    H6     U   4           H6         U   4   6.151   3.610   9.127
   45   1H5*    A   5          1H5*        A   5   3.124   8.926  11.851
   46   2H5*    A   5          2H5*        A   5   2.868   9.233  13.578
   47    H4*    A   5           H4*        A   5   0.739   8.781  12.448
   48    H3*    A   5           H3*        A   5   1.644   6.604  14.356
   49    H2*    A   5           H2*        A   5  -0.522   5.619  14.042
   50   2HO*    A   5          2HO*        A   5  -1.690   7.649  13.986
   51    H1*    A   5           H1*        A   5  -0.485   5.908  11.316
   52    H8     A   5           H8         A   5   3.043   5.161  12.663
   53   1H6     A   5          1H6         A   5   1.344  -0.813  12.512
   54   2H6     A   5          2H6         A   5   2.710   0.277  12.736
   55    H2     A   5           H2         A   5  -2.186   1.593  11.498
   56   1H5*    A   6          1H5*        A   6  -2.732   7.853  17.664
   57   2H5*    A   6          2H5*        A   6  -2.694   6.389  16.653
   58    H4*    A   6           H4*        A   6  -4.180   8.977  15.988
   59    H3*    A   6           H3*        A   6  -5.070   6.320  17.127
   60    H2*    A   6           H2*        A   6  -7.132   6.520  15.918
   61   2HO*    A   6          2HO*        A   6  -7.025   8.951  16.247
   62    H1*    A   6           H1*        A   6  -5.944   7.111  13.559
   63    H8     A   6           H8         A   6  -3.213   5.000  14.756
   64   1H6     A   6          1H6         A   6  -6.824   0.095  13.522
   65   2H6     A   6          2H6         A   6  -5.186   0.567  13.963
   66    H2     A   6           H2         A   6  -9.390   3.661  13.543
   67   1H5*    G   7          1H5*        G   7  -8.288   7.217  18.042
   68   2H5*    G   7          2H5*        G   7  -8.735   6.839  19.717
   69    H4*    G   7           H4*        G   7  -9.805   5.332  18.047
   70    H3*    G   7           H3*        G   7  -7.825   4.018  19.929
   71    H2*    G   7           H2*        G   7  -8.590   1.919  18.975
   72   2HO*    G   7          2HO*        G   7 -10.834   2.854  18.769
   73    H1*    G   7           H1*        G   7  -8.441   2.796  16.398
   74    H8     G   7           H8         G   7  -5.506   4.430  18.127
   75    H1     G   7           H1         G   7  -4.687  -1.886  17.199
   76   1H2     G   7          2H2         G   7  -6.623  -2.813  16.615
   77   2H2     G   7          1H2         G   7  -8.066  -1.826  16.364
   78   1H5*    A   8          1H5*        A   8 -11.465   1.733  20.099
   79   2H5*    A   8          2H5*        A   8 -11.771   1.159  21.744
   80    H4*    A   8           H4*        A   8 -11.615  -0.657  20.006
   81    H3*    A   8           H3*        A   8  -9.649  -0.666  22.306
   82    H2*    A   8           H2*        A   8  -8.935  -2.841  21.483
   83   2HO*    A   8          2HO*        A   8 -11.265  -3.269  20.816
   84    H1*    A   8           H1*        A   8  -8.786  -2.045  18.874
   85    H8     A   8           H8         A   8  -7.569   1.003  20.711
   86   1H6     A   8          1H6         A   8  -2.079  -1.955  20.775
   87   2H6     A   8          2H6         A   8  -2.866  -0.391  20.960
   88    H2     A   8           H2         A   8  -5.215  -4.922  19.857
   89   1H5*    C   9          1H5*        C   9 -11.366  -4.598  22.235
   90   2H5*    C   9          2H5*        C   9 -11.792  -5.089  23.884
   91    H4*    C   9           H4*        C   9 -10.258  -6.723  22.853
   92    H3*    C   9           H3*        C   9  -8.978  -5.062  25.058
   93    H2*    C   9           H2*        C   9  -7.144  -6.585  24.927
   94   2HO*    C   9          2HO*        C   9  -7.200  -8.408  23.567
   95    H1*    C   9           H1*        C   9  -7.122  -6.531  22.147
   96   1H4     C   9          2H4         C   9  -2.797  -2.315  23.960
   97   2H4     C   9          1H4         C   9  -4.001  -1.037  24.138
   98    H5     C   9           H5         C   9  -6.425  -1.512  23.926
   99    H6     C   9           H6         C   9  -8.044  -3.234  23.448
  100    H3T    C   9           H3T        C   9 -10.772  -6.287  25.718
  101   1H5*    G  10          1H5*        G  10   6.922  -6.879  23.749
  102   2H5*    G  10          2H5*        G  10   6.913  -7.322  22.032
  103    H4*    G  10           H4*        G  10   5.521  -8.862  23.310
  104    H3*    G  10           H3*        G  10   4.049  -7.020  21.418
  105    H2*    G  10           H2*        G  10   2.028  -8.189  21.970
  106   2HO*    G  10          2HO*        G  10   3.331 -10.259  22.095
  107    H1*    G  10           H1*        G  10   2.461  -8.246  24.653
  108    H8     G  10           H8         G  10   3.842  -4.888  23.852
  109    H1     G  10           H1         G  10  -2.582  -5.067  23.510
  110   1H2     G  10          2H2         G  10  -3.255  -7.195  23.327
  111   2H2     G  10          1H2         G  10  -2.100  -8.526  23.436
  112    H5T    G  10           H5T        G  10   6.637  -5.118  22.175
  113   1H5*    U  11          1H5*        U  11   2.421 -10.764  20.351
  114   2H5*    U  11          2H5*        U  11   2.357 -10.878  18.584
  115    H4*    U  11           H4*        U  11   0.125 -11.105  19.628
  116    H3*    U  11           H3*        U  11   0.554  -8.648  17.909
  117    H2*    U  11           H2*        U  11  -1.820  -8.253  18.176
  118   2HO*    U  11          2HO*        U  11  -2.268 -10.607  18.095
  119    H1*    U  11           H1*        U  11  -1.840  -8.747  20.840
  120    H3     U  11           H3         U  11  -2.487  -4.275  20.337
  121    H5     U  11           H5         U  11   1.685  -4.768  20.253
  122    H6     U  11           H6         U  11   1.359  -7.156  20.128
  123   1H5*    C  12          1H5*        C  12  -3.068 -10.655  16.384
  124   2H5*    C  12          2H5*        C  12  -3.140 -10.416  14.631
  125    H4*    C  12           H4*        C  12  -5.137  -9.549  15.900
  126    H3*    C  12           H3*        C  12  -3.499  -7.599  14.263
  127    H2*    C  12           H2*        C  12  -5.191  -5.964  14.779
  128   2HO*    C  12          2HO*        C  12  -6.871  -7.733  14.597
  129    H1*    C  12           H1*        C  12  -5.465  -6.702  17.420
  130   1H4     C  12          2H4         C  12  -1.807  -1.628  17.578
  131   2H4     C  12          1H4         C  12  -0.323  -2.580  17.465
  132    H5     C  12           H5         C  12  -0.419  -5.029  16.956
  133    H6     C  12           H6         C  12  -1.922  -6.894  16.633
  134   1H5*    G  13          1H5*        G  13  -7.349  -6.398  13.078
  135   2H5*    G  13          2H5*        G  13  -7.325  -6.189  11.321
  136    H4*    G  13           H4*        G  13  -7.868  -4.079  12.468
  137    H3*    G  13           H3*        G  13  -5.105  -4.091  11.236
  138    H2*    G  13           H2*        G  13  -5.090  -1.727  11.523
  139   2HO*    G  13          2HO*        G  13  -7.530  -1.526  11.210
  140    H1*    G  13           H1*        G  13  -5.873  -1.996  14.134
  141    H8     G  13           H8         G  13  -3.783  -5.019  13.049
  142    H1     G  13           H1         G  13  -0.233  -0.010  14.909
  143   1H2     G  13          1H2         G  13  -1.510   1.764  15.240
  144   2H2     G  13          2H2         G  13  -3.221   1.753  14.902
  145   1H5*    A  14          1H5*        A  14  -8.033  -1.262   7.733
  146   2H5*    A  14          2H5*        A  14  -6.773  -0.853   8.923
  147    H4*    A  14           H4*        A  14  -9.615   0.269   8.886
  148    H3*    A  14           H3*        A  14  -6.992   1.435   7.902
  149    H2*    A  14           H2*        A  14  -7.897   3.603   8.474
  150   2HO*    A  14          2HO*        A  14 -10.112   2.794   7.799
  151    H1*    A  14           H1*        A  14  -8.797   2.797  10.929
  152    H8     A  14           H8         A  14  -5.654   0.829  10.668
  153   1H6     A  14          1H6         A  14  -2.680   6.184  11.860
  154   2H6     A  14          2H6         A  14  -2.458   4.440  11.712
  155    H2     A  14           H2         A  14  -6.825   7.138  10.731
  156   1H5*    A  15          1H5*        A  15  -9.433   4.370   6.346
  157   2H5*    A  15          2H5*        A  15  -8.960   4.649   4.660
  158    H4*    A  15           H4*        A  15  -8.780   6.696   6.009
  159    H3*    A  15           H3*        A  15  -6.173   5.560   4.974
  160    H2*    A  15           H2*        A  15  -5.116   7.561   5.836
  161   2HO*    A  15          2HO*        A  15  -7.151   8.808   5.243
  162    H1*    A  15           H1*        A  15  -6.361   7.478   8.249
  163    H8     A  15           H8         A  15  -5.888   3.863   7.505
  164   1H6     A  15          1H6         A  15   0.135   4.693   8.815
  165   2H6     A  15          2H6         A  15  -1.104   3.464   8.490
  166    H2     A  15           H2         A  15  -1.758   8.636   8.702
  167   1H5*    G  16          1H5*        G  16  -5.730   9.588   4.011
  168   2H5*    G  16          2H5*        G  16  -5.137   9.739   2.351
  169    H4*    G  16           H4*        G  16  -3.641  10.795   4.043
  170    H3*    G  16           H3*        G  16  -2.568   8.497   2.397
  171    H2*    G  16           H2*        G  16  -0.414   8.930   3.404
  172   2HO*    G  16          2HO*        G  16  -0.977  11.325   3.358
  173    H1*    G  16           H1*        G  16  -1.370   9.226   5.947
  174    H8     G  16           H8         G  16  -3.502   6.436   4.668
  175    H1     G  16           H1         G  16   2.567   4.589   5.745
  176   1H2     G  16          2H2         G  16   3.908   6.388   5.688
  177   2H2     G  16          1H2         G  16   3.223   8.013   5.673
  178   1H5*    C  17          1H5*        C  17   0.390  11.546   1.965
  179   2H5*    C  17          2H5*        C  17   0.874  11.656   0.263
  180    H4*    C  17           H4*        C  17   2.789  11.171   1.774
  181    H3*    C  17           H3*        C  17   2.018   9.041  -0.236
  182    H2*    C  17           H2*        C  17   4.002   7.854   0.446
  183   2HO*    C  17          2HO*        C  17   5.111  10.036   0.689
  184    H1*    C  17           H1*        C  17   3.646   8.324   3.131
  185   1H4     C  17          2H4         C  17   1.253   2.550   2.525
  186   2H4     C  17          1H4         C  17  -0.352   3.201   2.216
  187    H5     C  17           H5         C  17  -0.715   5.604   1.734
  188    H6     C  17           H6         C  17   0.350   7.770   1.693
  189   1H5*    C  18          1H5*        C  18   6.323   9.686  -0.847
  190   2H5*    C  18          2H5*        C  18   6.581   9.766  -2.600
  191    H4*    C  18           H4*        C  18   7.988   8.031  -1.581
  192    H3*    C  18           H3*        C  18   5.749   7.010  -3.367
  193    H2*    C  18           H2*        C  18   6.699   4.830  -3.136
  194   2HO*    C  18          2HO*        C  18   8.890   5.938  -1.689
  195    H1*    C  18           H1*        C  18   7.222   5.093  -0.420
  196   1H4     C  18          2H4         C  18   1.828   1.893  -0.555
  197   2H4     C  18          1H4         C  18   0.857   3.350  -0.766
  198    H5     C  18           H5         C  18   1.928   5.557  -1.191
  199    H6     C  18           H6         C  18   4.050   6.692  -1.379
  200    H3T    C  18           H3T        C  18   8.447   6.850  -3.983
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   7.681  -8.123   1.856
    2   2H5*    G   1          2H5*        G   1   8.182  -7.774   3.518
    3    H4*    G   1           H4*        G   1   9.639  -6.561   2.051
    4    H3*    G   1           H3*        G   1   7.578  -4.723   3.302
    5    H2*    G   1           H2*        G   1   8.818  -2.904   2.362
    6   2HO*    G   1          2HO*        G   1  10.901  -4.060   2.747
    7    H1*    G   1           H1*        G   1   9.017  -4.059  -0.100
    8    H8     G   1           H8         G   1   5.659  -5.269   0.977
    9    H1     G   1           H1         G   1   5.644   1.018  -0.401
   10   1H2     G   1          2H2         G   1   7.754   1.772  -0.475
   11   2H2     G   1          1H2         G   1   9.117   0.672  -0.260
   12    H5T    G   1           H5T        G   1   6.443  -6.385   3.735
   13   1H5*    G   2          1H5*        G   2  11.224  -2.935   4.395
   14   2H5*    G   2          2H5*        G   2  11.124  -2.330   6.057
   15    H4*    G   2           H4*        G   2  11.654  -0.565   4.375
   16    H3*    G   2           H3*        G   2   9.062  -0.298   5.912
   17    H2*    G   2           H2*        G   2   8.827   1.866   4.863
   18   2HO*    G   2          2HO*        G   2  11.240   2.169   4.990
   19    H1*    G   2           H1*        G   2   9.486   1.002   2.371
   20    H8     G   2           H8         G   2   7.443  -1.818   3.836
   21    H1     G   2           H1         G   2   3.956   3.386   2.361
   22   1H2     G   2          2H2         G   2   5.349   5.153   2.120
   23   2H2     G   2          1H2         G   2   7.099   4.919   2.165
   24   1H5*    C   3          1H5*        C   3  11.119   3.531   6.274
   25   2H5*    C   3          2H5*        C   3  10.919   4.146   7.922
   26    H4*    C   3           H4*        C   3  10.117   5.714   6.132
   27    H3*    C   3           H3*        C   3   8.099   4.694   8.150
   28    H2*    C   3           H2*        C   3   6.571   6.272   7.165
   29   2HO*    C   3          2HO*        C   3   8.449   7.816   6.867
   30    H1*    C   3           H1*        C   3   7.260   5.716   4.576
   31   1H4     C   3          2H4         C   3   2.028   2.233   5.583
   32   2H4     C   3          1H4         C   3   3.057   0.900   6.045
   33    H5     C   3           H5         C   3   5.440   1.078   6.442
   34    H6     C   3           H6         C   3   7.349   2.540   6.301
   35   1H5*    U   4          1H5*        U   4   7.061   8.649   8.294
   36   2H5*    U   4          2H5*        U   4   6.801   9.140   9.977
   37    H4*    U   4           H4*        U   4   4.736   9.317   8.623
   38    H3*    U   4           H3*        U   4   4.702   7.225  10.812
   39    H2*    U   4           H2*        U   4   2.353   6.934  10.295
   40   2HO*    U   4          2HO*        U   4   2.123   9.289   9.842
   41    H1*    U   4           H1*        U   4   2.727   6.903   7.590
   42    H3     U   4           H3         U   4   1.628   2.653   8.927
   43    H5     U   4           H5         U   4   5.775   2.927   9.511
   44    H6     U   4           H6         U   4   5.655   5.284   9.019
   45   1H5*    A   5          1H5*        A   5   1.131   9.747  11.244
   46   2H5*    A   5          2H5*        A   5   0.807   9.981  12.967
   47    H4*    A   5           H4*        A   5  -1.124   8.991  11.761
   48    H3*    A   5           H3*        A   5   0.203   7.235  13.845
   49    H2*    A   5           H2*        A   5  -1.658   5.743  13.560
   50   2HO*    A   5          2HO*        A   5  -3.274   7.424  13.330
   51    H1*    A   5           H1*        A   5  -1.604   5.874  10.819
   52    H8     A   5           H8         A   5   1.928   5.984  12.380
   53   1H6     A   5          1H6         A   5   1.641  -0.228  12.115
   54   2H6     A   5          2H6         A   5   2.716   1.134  12.415
   55    H2     A   5           H2         A   5  -2.300   1.331  10.990
   56   1H5*    A   6          1H5*        A   6  -4.520   7.701  16.906
   57   2H5*    A   6          2H5*        A   6  -4.088   6.203  16.047
   58    H4*    A   6           H4*        A   6  -6.074   8.305  15.051
   59    H3*    A   6           H3*        A   6  -6.410   5.648  16.450
   60    H2*    A   6           H2*        A   6  -8.401   5.259  15.172
   61   2HO*    A   6          2HO*        A   6  -8.853   7.669  15.258
   62    H1*    A   6           H1*        A   6  -7.264   5.925  12.794
   63    H8     A   6           H8         A   6  -4.222   4.477  14.182
   64   1H6     A   6          1H6         A   6  -6.808  -1.123  13.320
   65   2H6     A   6          2H6         A   6  -5.291  -0.322  13.711
   66    H2     A   6           H2         A   6  -9.994   1.878  13.018
   67   1H5*    G   7          1H5*        G   7  -9.882   5.927  17.153
   68   2H5*    G   7          2H5*        G   7 -10.303   5.639  18.854
   69    H4*    G   7           H4*        G   7 -11.034   3.793  17.374
   70    H3*    G   7           H3*        G   7  -8.835   3.077  19.334
   71    H2*    G   7           H2*        G   7  -9.148   0.787  18.585
   72   2HO*    G   7          2HO*        G   7 -11.542   1.255  18.311
   73    H1*    G   7           H1*        G   7  -9.153   1.429  15.940
   74    H8     G   7           H8         G   7  -6.668   3.830  17.442
   75    H1     G   7           H1         G   7  -4.454  -2.198  17.146
   76   1H2     G   7          2H2         G   7  -6.156  -3.599  16.838
   77   2H2     G   7          1H2         G   7  -7.792  -2.997  16.550
   78   1H5*    A   8          1H5*        A   8 -11.790   0.046  19.742
   79   2H5*    A   8          2H5*        A   8 -12.036  -0.357  21.447
   80    H4*    A   8           H4*        A   8 -11.391  -2.310  20.010
   81    H3*    A   8           H3*        A   8  -9.578  -1.510  22.296
   82    H2*    A   8           H2*        A   8  -8.317  -3.528  21.823
   83   2HO*    A   8          2HO*        A   8 -10.464  -4.605  21.249
   84    H1*    A   8           H1*        A   8  -8.306  -3.173  19.108
   85    H8     A   8           H8         A   8  -7.847   0.335  20.346
   86   1H6     A   8          1H6         A   8  -1.806  -1.199  20.561
   87   2H6     A   8          2H6         A   8  -2.944   0.141  20.497
   88    H2     A   8           H2         A   8  -4.163  -4.937  20.439
   89   1H5*    C   9          1H5*        C   9 -10.275  -5.675  22.929
   90   2H5*    C   9          2H5*        C   9 -10.669  -5.948  24.637
   91    H4*    C   9           H4*        C   9  -8.702  -7.274  24.009
   92    H3*    C   9           H3*        C   9  -8.044  -4.896  25.799
   93    H2*    C   9           H2*        C   9  -5.843  -5.793  25.961
   94   2HO*    C   9          2HO*        C   9  -6.797  -8.040  25.994
   95    H1*    C   9           H1*        C   9  -5.697  -6.430  23.264
   96   1H4     C   9          2H4         C   9  -2.775  -0.868  23.668
   97   2H4     C   9          1H4         C   9  -4.288   0.040  23.693
   98    H5     C   9           H5         C   9  -6.479  -1.123  23.835
   99    H6     C   9           H6         C   9  -7.536  -3.290  23.864
  100    H3T    C   9           H3T        C   9  -9.412  -6.442  26.742
  101   1H5*    G  10          1H5*        G  10   7.503  -2.587  22.553
  102   2H5*    G  10          2H5*        G  10   7.917  -3.941  21.492
  103    H4*    G  10           H4*        G  10   6.993  -5.016  23.329
  104    H3*    G  10           H3*        G  10   4.708  -4.607  21.371
  105    H2*    G  10           H2*        G  10   3.337  -5.867  22.793
  106   2HO*    G  10          2HO*        G  10   5.203  -7.314  23.347
  107    H1*    G  10           H1*        G  10   4.135  -4.591  25.065
  108    H8     G  10           H8         G  10   4.293  -1.578  23.089
  109    H1     G  10           H1         G  10  -1.796  -3.552  23.736
  110   1H2     G  10          2H2         G  10  -1.822  -5.753  24.137
  111   2H2     G  10          1H2         G  10  -0.326  -6.652  24.397
  112    H5T    G  10           H5T        G  10   6.162  -3.530  20.227
  113   1H5*    U  11          1H5*        U  11   4.651  -8.613  20.955
  114   2H5*    U  11          2H5*        U  11   4.515  -9.070  19.249
  115    H4*    U  11           H4*        U  11   2.485  -9.627  20.520
  116    H3*    U  11           H3*        U  11   2.147  -7.423  18.472
  117    H2*    U  11           H2*        U  11  -0.211  -7.537  18.978
  118   2HO*    U  11          2HO*        U  11  -0.072  -9.925  19.238
  119    H1*    U  11           H1*        U  11   0.102  -7.622  21.664
  120    H3     U  11           H3         U  11  -1.631  -3.562  20.434
  121    H5     U  11           H5         U  11   2.540  -3.108  20.163
  122    H6     U  11           H6         U  11   2.776  -5.487  20.528
  123   1H5*    C  12          1H5*        C  12  -0.984 -10.375  17.653
  124   2H5*    C  12          2H5*        C  12  -1.268 -10.446  15.907
  125    H4*    C  12           H4*        C  12  -3.281  -9.820  17.306
  126    H3*    C  12           H3*        C  12  -2.309  -7.914  15.166
  127    H2*    C  12           H2*        C  12  -4.249  -6.575  15.659
  128   2HO*    C  12          2HO*        C  12  -5.490  -8.671  16.016
  129    H1*    C  12           H1*        C  12  -4.077  -6.845  18.393
  130   1H4     C  12          2H4         C  12  -1.635  -1.222  17.208
  131   2H4     C  12          1H4         C  12   0.015  -1.851  17.124
  132    H5     C  12           H5         C  12   0.423  -4.328  17.080
  133    H6     C  12           H6         C  12  -0.658  -6.481  17.270
  134   1H5*    G  13          1H5*        G  13  -6.364  -7.587  14.387
  135   2H5*    G  13          2H5*        G  13  -6.590  -7.743  12.639
  136    H4*    G  13           H4*        G  13  -7.352  -5.556  13.401
  137    H3*    G  13           H3*        G  13  -4.851  -5.518  11.705
  138    H2*    G  13           H2*        G  13  -5.003  -3.138  11.682
  139   2HO*    G  13          2HO*        G  13  -7.335  -3.077  11.450
  140    H1*    G  13           H1*        G  13  -5.570  -2.898  14.363
  141    H8     G  13           H8         G  13  -3.117  -5.749  13.595
  142    H1     G  13           H1         G  13  -0.322   0.012  14.054
  143   1H2     G  13          1H2         G  13  -1.849   1.588  14.320
  144   2H2     G  13          2H2         G  13  -3.558   1.246  14.294
  145   1H5*    A  14          1H5*        A  14  -7.478  -2.947   7.547
  146   2H5*    A  14          2H5*        A  14  -6.322  -2.091   8.597
  147    H4*    A  14           H4*        A  14  -9.363  -1.882   8.812
  148    H3*    A  14           H3*        A  14  -7.310  -0.206   7.364
  149    H2*    A  14           H2*        A  14  -8.446   1.782   8.012
  150   2HO*    A  14          2HO*        A  14 -10.560   0.725   7.592
  151    H1*    A  14           H1*        A  14  -9.043   0.986  10.584
  152    H8     A  14           H8         A  14  -5.592  -0.274  10.370
  153   1H6     A  14          1H6         A  14  -3.842   5.658  11.235
  154   2H6     A  14          2H6         A  14  -3.242   3.999  11.194
  155    H2     A  14           H2         A  14  -8.057   5.641   9.996
  156   1H5*    A  15          1H5*        A  15  -8.191   2.331   3.722
  157   2H5*    A  15          2H5*        A  15  -7.126   2.116   5.117
  158    H4*    A  15           H4*        A  15  -9.416   4.135   4.980
  159    H3*    A  15           H3*        A  15  -6.490   4.261   4.281
  160    H2*    A  15           H2*        A  15  -6.238   6.401   5.299
  161   2HO*    A  15          2HO*        A  15  -8.550   6.901   4.539
  162    H1*    A  15           H1*        A  15  -7.533   5.800   7.596
  163    H8     A  15           H8         A  15  -6.236   2.450   7.090
  164   1H6     A  15          1H6         A  15  -0.529   4.547   8.358
  165   2H6     A  15          2H6         A  15  -1.508   3.095   8.110
  166    H2     A  15           H2         A  15  -3.171   8.040   7.889
  167   1H5*    G  16          1H5*        G  16  -6.864   7.999   3.358
  168   2H5*    G  16          2H5*        G  16  -6.384   8.281   1.674
  169    H4*    G  16           H4*        G  16  -4.972   9.560   3.222
  170    H3*    G  16           H3*        G  16  -3.621   7.312   1.714
  171    H2*    G  16           H2*        G  16  -1.534   8.056   2.664
  172   2HO*    G  16          2HO*        G  16  -2.343  10.359   2.479
  173    H1*    G  16           H1*        G  16  -2.499   8.373   5.196
  174    H8     G  16           H8         G  16  -4.351   5.335   4.050
  175    H1     G  16           H1         G  16   1.831   4.160   5.389
  176   1H2     G  16          1H2         G  16   2.961   5.868   5.268
  177   2H2     G  16          2H2         G  16   2.420   7.460   5.009
  178   1H5*    C  17          1H5*        C  17  -1.082  10.754   1.055
  179   2H5*    C  17          2H5*        C  17  -0.633  10.790  -0.660
  180    H4*    C  17           H4*        C  17   1.350  10.741   0.850
  181    H3*    C  17           H3*        C  17   0.904   8.329  -0.922
  182    H2*    C  17           H2*        C  17   3.064   7.577  -0.231
  183   2HO*    C  17          2HO*        C  17   4.488   8.814   0.913
  184    H1*    C  17           H1*        C  17   2.660   8.265   2.427
  185   1H4     C  17          2H4         C  17   1.584   2.088   2.291
  186   2H4     C  17          1H4         C  17  -0.131   2.333   1.969
  187    H5     C  17           H5         C  17  -1.020   4.570   1.334
  188    H6     C  17           H6         C  17  -0.448   6.912   1.118
  189   1H5*    C  18          1H5*        C  18   4.944   9.819  -1.601
  190   2H5*    C  18          2H5*        C  18   5.261   9.816  -3.344
  191    H4*    C  18           H4*        C  18   7.032   8.596  -2.168
  192    H3*    C  18           H3*        C  18   5.161   6.811  -3.780
  193    H2*    C  18           H2*        C  18   6.700   5.044  -3.355
  194   2HO*    C  18          2HO*        C  18   8.539   6.628  -3.601
  195    H1*    C  18           H1*        C  18   7.105   5.771  -0.701
  196   1H4     C  18          2H4         C  18   2.866   1.112  -0.431
  197   2H4     C  18          1H4         C  18   1.523   2.192  -0.802
  198    H5     C  18           H5         C  18   1.919   4.544  -1.511
  199    H6     C  18           H6         C  18   3.623   6.228  -1.829
  200    H3T    C  18           H3T        C  18   6.297   8.342  -5.009
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   5.063  -9.016   0.684
    2   2H5*    G   1          2H5*        G   1   5.741  -8.887   2.315
    3    H4*    G   1           H4*        G   1   7.309  -7.895   0.798
    4    H3*    G   1           H3*        G   1   5.759  -5.768   2.305
    5    H2*    G   1           H2*        G   1   7.278  -4.175   1.362
    6   2HO*    G   1          2HO*        G   1   9.100  -5.750   1.513
    7    H1*    G   1           H1*        G   1   7.058  -5.179  -1.165
    8    H8     G   1           H8         G   1   3.609  -5.772   0.112
    9    H1     G   1           H1         G   1   4.777   0.479  -0.886
   10   1H2     G   1          2H2         G   1   6.986   0.800  -1.092
   11   2H2     G   1          1H2         G   1   8.109  -0.560  -1.050
   12    H5T    G   1           H5T        G   1   4.345  -7.197   2.748
   13   1H5*    G   2          1H5*        G   2   9.745  -4.803   3.201
   14   2H5*    G   2          2H5*        G   2   9.876  -4.325   4.903
   15    H4*    G   2           H4*        G   2  10.640  -2.566   3.316
   16    H3*    G   2           H3*        G   2   8.233  -1.924   5.035
   17    H2*    G   2           H2*        G   2   8.391   0.323   4.158
   18   2HO*    G   2          2HO*        G   2  10.819   0.127   4.144
   19    H1*    G   2           H1*        G   2   8.728  -0.456   1.573
   20    H8     G   2           H8         G   2   6.244  -2.926   2.987
   21    H1     G   2           H1         G   2   3.800   2.971   2.175
   22   1H2     G   2          2H2         G   2   5.504   4.443   1.944
   23   2H2     G   2          1H2         G   2   7.168   3.866   1.826
   24   1H5*    C   3          1H5*        C   3  10.976   1.408   5.533
   25   2H5*    C   3          2H5*        C   3  11.000   1.885   7.238
   26    H4*    C   3           H4*        C   3  10.407   3.747   5.672
   27    H3*    C   3           H3*        C   3   8.327   2.902   7.710
   28    H2*    C   3           H2*        C   3   7.094   4.846   6.993
   29   2HO*    C   3          2HO*        C   3   9.201   6.042   6.729
   30    H1*    C   3           H1*        C   3   7.534   4.439   4.320
   31   1H4     C   3          2H4         C   3   1.783   1.932   5.455
   32   2H4     C   3          1H4         C   3   2.554   0.381   5.682
   33    H5     C   3           H5         C   3   4.948   0.056   5.881
   34    H6     C   3           H6         C   3   7.096   1.136   5.714
   35   1H5*    U   4          1H5*        U   4   7.950   6.872   8.350
   36   2H5*    U   4          2H5*        U   4   7.908   7.190  10.094
   37    H4*    U   4           H4*        U   4   5.781   7.826   9.022
   38    H3*    U   4           H3*        U   4   5.557   5.332  10.716
   39    H2*    U   4           H2*        U   4   3.182   5.608  10.569
   40   2HO*    U   4          2HO*        U   4   3.104   7.964  10.455
   41    H1*    U   4           H1*        U   4   3.352   5.902   7.863
   42    H3     U   4           H3         U   4   1.701   1.724   8.908
   43    H5     U   4           H5         U   4   5.875   1.309   9.051
   44    H6     U   4           H6         U   4   6.089   3.694   8.769
   45   1H5*    A   5          1H5*        A   5   3.023   8.265  14.167
   46   2H5*    A   5          2H5*        A   5   3.422   6.754  13.327
   47    H4*    A   5           H4*        A   5   0.863   8.361  12.893
   48    H3*    A   5           H3*        A   5   1.489   5.881  14.527
   49    H2*    A   5           H2*        A   5  -0.737   5.123  14.090
   50   2HO*    A   5          2HO*        A   5  -1.708   7.287  14.237
   51    H1*    A   5           H1*        A   5  -0.613   5.674  11.411
   52    H8     A   5           H8         A   5   2.849   4.654  12.631
   53   1H6     A   5          1H6         A   5   1.009  -1.180  11.546
   54   2H6     A   5          2H6         A   5   2.421  -0.170  11.834
   55    H2     A   5           H2         A   5  -2.535   1.383  11.325
   56   1H5*    A   6          1H5*        A   6  -2.749   7.622  17.982
   57   2H5*    A   6          2H5*        A   6  -3.018   6.171  16.994
   58    H4*    A   6           H4*        A   6  -4.023   9.003  16.427
   59    H3*    A   6           H3*        A   6  -5.298   6.448  17.390
   60    H2*    A   6           H2*        A   6  -7.232   6.777  16.061
   61   2HO*    A   6          2HO*        A   6  -6.979   9.202  16.434
   62    H1*    A   6           H1*        A   6  -5.914   7.292  13.770
   63    H8     A   6           H8         A   6  -3.223   5.195  14.986
   64   1H6     A   6          1H6         A   6  -6.760   0.272  13.746
   65   2H6     A   6          2H6         A   6  -5.130   0.793  14.162
   66    H2     A   6           H2         A   6  -9.403   3.802  13.854
   67   1H5*    G   7          1H5*        G   7  -8.302   7.392  18.427
   68   2H5*    G   7          2H5*        G   7  -8.732   6.950  20.091
   69    H4*    G   7           H4*        G   7  -9.702   5.438  18.350
   70    H3*    G   7           H3*        G   7  -7.703   4.162  20.241
   71    H2*    G   7           H2*        G   7  -8.388   2.062  19.222
   72   2HO*    G   7          2HO*        G   7 -10.658   2.930  18.997
   73    H1*    G   7           H1*        G   7  -8.235   3.025  16.673
   74    H8     G   7           H8         G   7  -5.348   4.643  18.508
   75    H1     G   7           H1         G   7  -4.419  -1.614  17.316
   76   1H2     G   7          2H2         G   7  -6.350  -2.556  16.724
   77   2H2     G   7          1H2         G   7  -7.809  -1.581  16.524
   78   1H5*    A   8          1H5*        A   8 -11.276   1.759  20.254
   79   2H5*    A   8          2H5*        A   8 -11.605   1.123  21.870
   80    H4*    A   8           H4*        A   8 -11.369  -0.622  20.060
   81    H3*    A   8           H3*        A   8  -9.504  -0.682  22.441
   82    H2*    A   8           H2*        A   8  -8.703  -2.803  21.578
   83   2HO*    A   8          2HO*        A   8 -10.996  -3.273  20.833
   84    H1*    A   8           H1*        A   8  -8.509  -1.948  18.986
   85    H8     A   8           H8         A   8  -7.355   1.055  20.927
   86   1H6     A   8          1H6         A   8  -1.812  -1.806  20.902
   87   2H6     A   8          2H6         A   8  -2.628  -0.263  21.124
   88    H2     A   8           H2         A   8  -4.900  -4.801  19.894
   89   1H5*    C   9          1H5*        C   9 -11.230  -4.629  22.251
   90   2H5*    C   9          2H5*        C   9 -11.650  -5.176  23.887
   91    H4*    C   9           H4*        C   9 -10.040  -6.715  22.784
   92    H3*    C   9           H3*        C   9  -8.970  -5.146  25.159
   93    H2*    C   9           H2*        C   9  -6.979  -6.434  24.999
   94   2HO*    C   9          2HO*        C   9  -6.850  -8.228  23.559
   95    H1*    C   9           H1*        C   9  -6.888  -6.342  22.215
   96   1H4     C   9          2H4         C   9  -2.836  -1.892  24.004
   97   2H4     C   9          1H4         C   9  -4.113  -0.696  24.236
   98    H5     C   9           H5         C   9  -6.509  -1.330  24.104
   99    H6     C   9           H6         C   9  -8.020  -3.144  23.624
  100    H3T    C   9           H3T        C   9  -9.493  -7.895  25.001
  101   1H5*    G  10          1H5*        G  10   6.857  -5.664  22.914
  102   2H5*    G  10          2H5*        G  10   7.040  -6.870  21.632
  103    H4*    G  10           H4*        G  10   5.770  -8.010  23.201
  104    H3*    G  10           H3*        G  10   3.779  -6.743  21.289
  105    H2*    G  10           H2*        G  10   2.065  -7.885  22.401
  106   2HO*    G  10          2HO*        G  10   3.526  -9.796  22.733
  107    H1*    G  10           H1*        G  10   2.953  -7.248  24.897
  108    H8     G  10           H8         G  10   3.932  -4.051  23.575
  109    H1     G  10           H1         G  10  -2.474  -4.639  23.524
  110   1H2     G  10          2H2         G  10  -3.017  -6.808  23.454
  111   2H2     G  10          1H2         G  10  -1.783  -8.062  23.602
  112    H5T    G  10           H5T        G  10   5.512  -5.851  20.413
  113   1H5*    U  11          1H5*        U  11   2.803 -10.454  20.181
  114   2H5*    U  11          2H5*        U  11   2.744 -10.597  18.416
  115    H4*    U  11           H4*        U  11   0.521 -10.859  19.414
  116    H3*    U  11           H3*        U  11   0.898  -8.317  17.815
  117    H2*    U  11           H2*        U  11  -1.466  -7.953  18.131
  118   2HO*    U  11          2HO*        U  11  -1.909 -10.297  17.917
  119    H1*    U  11           H1*        U  11  -1.478  -8.588  20.761
  120    H3     U  11           H3         U  11  -2.141  -4.083  20.286
  121    H5     U  11           H5         U  11   2.034  -4.576  20.348
  122    H6     U  11           H6         U  11   1.708  -6.970  20.247
  123   1H5*    C  12          1H5*        C  12  -2.686 -10.345  16.214
  124   2H5*    C  12          2H5*        C  12  -2.760 -10.050  14.469
  125    H4*    C  12           H4*        C  12  -4.781  -9.274  15.757
  126    H3*    C  12           H3*        C  12  -3.179  -7.237  14.193
  127    H2*    C  12           H2*        C  12  -4.900  -5.652  14.757
  128   2HO*    C  12          2HO*        C  12  -6.537  -7.466  14.511
  129    H1*    C  12           H1*        C  12  -5.175  -6.482  17.371
  130   1H4     C  12          2H4         C  12  -1.596  -1.347  17.686
  131   2H4     C  12          1H4         C  12  -0.101  -2.276  17.549
  132    H5     C  12           H5         C  12  -0.156  -4.708  16.978
  133    H6     C  12           H6         C  12  -1.626  -6.590  16.609
  134   1H5*    G  13          1H5*        G  13  -7.024  -6.085  13.002
  135   2H5*    G  13          2H5*        G  13  -6.986  -5.806  11.255
  136    H4*    G  13           H4*        G  13  -7.594  -3.768  12.453
  137    H3*    G  13           H3*        G  13  -4.875  -3.668  11.126
  138    H2*    G  13           H2*        G  13  -4.868  -1.313  11.669
  139   2HO*    G  13          2HO*        G  13  -7.196  -1.061  11.269
  140    H1*    G  13           H1*        G  13  -5.644  -1.704  14.258
  141    H8     G  13           H8         G  13  -3.506  -4.653  13.087
  142    H1     G  13           H1         G  13  -0.038   0.373  15.061
  143   1H2     G  13          1H2         G  13  -1.349   2.139  15.386
  144   2H2     G  13          2H2         G  13  -3.058   2.089  15.035
  145   1H5*    A  14          1H5*        A  14  -8.879  -1.626   9.507
  146   2H5*    A  14          2H5*        A  14  -8.589  -1.113   7.834
  147    H4*    A  14           H4*        A  14 -10.072   0.429   9.109
  148    H3*    A  14           H3*        A  14  -7.410   1.598   8.322
  149    H2*    A  14           H2*        A  14  -8.415   3.747   8.889
  150   2HO*    A  14          2HO*        A  14 -10.754   2.818   8.481
  151    H1*    A  14           H1*        A  14  -9.062   2.769  11.335
  152    H8     A  14           H8         A  14  -6.002   0.770  10.745
  153   1H6     A  14          1H6         A  14  -2.822   6.003  11.922
  154   2H6     A  14          2H6         A  14  -2.667   4.253  11.745
  155    H2     A  14           H2         A  14  -6.989   7.099  11.014
  156   1H5*    A  15          1H5*        A  15  -8.712   4.442   4.641
  157   2H5*    A  15          2H5*        A  15  -7.639   3.791   5.894
  158    H4*    A  15           H4*        A  15  -9.083   6.475   6.084
  159    H3*    A  15           H3*        A  15  -6.355   5.688   5.067
  160    H2*    A  15           H2*        A  15  -5.367   7.610   6.102
  161   2HO*    A  15          2HO*        A  15  -7.477   8.816   5.589
  162    H1*    A  15           H1*        A  15  -6.591   7.315   8.502
  163    H8     A  15           H8         A  15  -6.344   3.761   7.772
  164   1H6     A  15          1H6         A  15  -0.204   4.107   8.683
  165   2H6     A  15          2H6         A  15  -1.562   2.998   8.446
  166    H2     A  15           H2         A  15  -1.783   8.213   8.573
  167   1H5*    G  16          1H5*        G  16  -5.858   9.570   4.300
  168   2H5*    G  16          2H5*        G  16  -5.410   9.806   2.601
  169    H4*    G  16           H4*        G  16  -3.682  10.677   4.123
  170    H3*    G  16           H3*        G  16  -2.928   8.279   2.439
  171    H2*    G  16           H2*        G  16  -0.678   8.534   3.278
  172   2HO*    G  16          2HO*        G  16  -1.001  10.958   3.250
  173    H1*    G  16           H1*        G  16  -1.423   8.886   5.879
  174    H8     G  16           H8         G  16  -3.924   6.361   4.709
  175    H1     G  16           H1         G  16   1.959   3.881   5.503
  176   1H2     G  16          1H2         G  16   3.406   5.342   5.407
  177   2H2     G  16          2H2         G  16   3.178   7.024   5.298
  178   1H5*    C  17          1H5*        C  17   0.193  11.203   1.776
  179   2H5*    C  17          2H5*        C  17   0.546  11.271   0.040
  180    H4*    C  17           H4*        C  17   2.563  10.791   1.413
  181    H3*    C  17           H3*        C  17   1.620   8.625  -0.485
  182    H2*    C  17           H2*        C  17   3.664   7.462   0.050
  183   2HO*    C  17          2HO*        C  17   4.786   9.642   0.161
  184    H1*    C  17           H1*        C  17   3.518   7.990   2.750
  185   1H4     C  17          2H4         C  17   1.205   2.168   2.288
  186   2H4     C  17          1H4         C  17  -0.444   2.772   2.137
  187    H5     C  17           H5         C  17  -0.899   5.187   1.724
  188    H6     C  17           H6         C  17   0.123   7.374   1.608
  189   1H5*    C  18          1H5*        C  18   5.896   9.292  -1.388
  190   2H5*    C  18          2H5*        C  18   6.017   9.387  -3.154
  191    H4*    C  18           H4*        C  18   7.563   7.693  -2.301
  192    H3*    C  18           H3*        C  18   5.161   6.527  -3.771
  193    H2*    C  18           H2*        C  18   6.295   4.434  -3.665
  194   2HO*    C  18          2HO*        C  18   8.407   5.594  -4.049
  195    H1*    C  18           H1*        C  18   7.155   4.818  -1.042
  196   1H4     C  18          2H4         C  18   2.057   1.133  -0.593
  197   2H4     C  18          1H4         C  18   0.946   2.498  -0.702
  198    H5     C  18           H5         C  18   1.768   4.782  -1.265
  199    H6     C  18           H6         C  18   3.756   6.102  -1.657
  200    H3T    C  18           H3T        C  18   6.466   7.877  -5.041
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   4.782  -7.846   0.976
    2   2H5*    G   1          2H5*        G   1   5.948  -7.943   2.303
    3    H4*    G   1           H4*        G   1   7.218  -7.086   0.551
    4    H3*    G   1           H3*        G   1   6.224  -4.693   2.138
    5    H2*    G   1           H2*        G   1   7.618  -3.336   0.814
    6   2HO*    G   1          2HO*        G   1   9.292  -5.074   0.690
    7    H1*    G   1           H1*        G   1   6.751  -4.416  -1.523
    8    H8     G   1           H8         G   1   3.559  -4.861   0.155
    9    H1     G   1           H1         G   1   4.798   1.387  -0.732
   10   1H2     G   1          2H2         G   1   7.004   1.683  -0.971
   11   2H2     G   1          1H2         G   1   8.103   0.304  -1.054
   12    H5T    G   1           H5T        G   1   5.091  -6.125   3.224
   13   1H5*    G   2          1H5*        G   2  10.061  -4.134   3.147
   14   2H5*    G   2          2H5*        G   2  10.209  -3.756   4.870
   15    H4*    G   2           H4*        G   2  10.845  -1.873   3.394
   16    H3*    G   2           H3*        G   2   8.391  -1.437   5.112
   17    H2*    G   2           H2*        G   2   8.459   0.848   4.341
   18   2HO*    G   2          2HO*        G   2  10.892   0.772   4.378
   19    H1*    G   2           H1*        G   2   8.913   0.215   1.728
   20    H8     G   2           H8         G   2   6.465  -2.389   2.851
   21    H1     G   2           H1         G   2   3.888   3.506   2.519
   22   1H2     G   2          2H2         G   2   5.564   5.028   2.391
   23   2H2     G   2          1H2         G   2   7.238   4.489   2.248
   24   1H5*    C   3          1H5*        C   3  11.060   1.937   5.807
   25   2H5*    C   3          2H5*        C   3  11.056   2.339   7.531
   26    H4*    C   3           H4*        C   3  10.450   4.255   6.022
   27    H3*    C   3           H3*        C   3   8.406   3.305   8.048
   28    H2*    C   3           H2*        C   3   7.119   5.238   7.410
   29   2HO*    C   3          2HO*        C   3   9.214   6.480   7.167
   30    H1*    C   3           H1*        C   3   7.550   4.956   4.721
   31   1H4     C   3          2H4         C   3   1.853   2.295   5.719
   32   2H4     C   3          1H4         C   3   2.647   0.749   5.886
   33    H5     C   3           H5         C   3   5.051   0.455   6.039
   34    H6     C   3           H6         C   3   7.179   1.579   5.925
   35   1H5*    U   4          1H5*        U   4   8.049   7.279   8.822
   36   2H5*    U   4          2H5*        U   4   8.015   7.543  10.575
   37    H4*    U   4           H4*        U   4   5.899   8.237   9.519
   38    H3*    U   4           H3*        U   4   5.702   5.801  11.309
   39    H2*    U   4           H2*        U   4   3.305   5.984  11.026
   40   2HO*    U   4          2HO*        U   4   3.288   8.327  11.049
   41    H1*    U   4           H1*        U   4   3.442   6.387   8.327
   42    H3     U   4           H3         U   4   1.762   2.172   9.083
   43    H5     U   4           H5         U   4   5.927   1.722   9.312
   44    H6     U   4           H6         U   4   6.161   4.117   9.181
   45   1H5*    A   5          1H5*        A   5   2.798   8.886  12.628
   46   2H5*    A   5          2H5*        A   5   2.605   8.790  14.385
   47    H4*    A   5           H4*        A   5   0.456   8.506  13.112
   48    H3*    A   5           H3*        A   5   1.398   6.046  14.606
   49    H2*    A   5           H2*        A   5  -0.813   5.192  14.283
   50   2HO*    A   5          2HO*        A   5  -1.837   7.447  14.340
   51    H1*    A   5           H1*        A   5  -0.686   5.817  11.609
   52    H8     A   5           H8         A   5   2.802   4.886  12.907
   53   1H6     A   5          1H6         A   5   1.172  -0.975  11.661
   54   2H6     A   5          2H6         A   5   2.537   0.074  12.028
   55    H2     A   5           H2         A   5  -2.425   1.507  11.266
   56   1H5*    A   6          1H5*        A   6  -2.567   8.210  17.665
   57   2H5*    A   6          2H5*        A   6  -2.351   6.759  16.656
   58    H4*    A   6           H4*        A   6  -4.413   8.966  16.178
   59    H3*    A   6           H3*        A   6  -4.664   6.208  17.422
   60    H2*    A   6           H2*        A   6  -6.930   6.199  16.568
   61   2HO*    A   6          2HO*        A   6  -7.055   8.607  16.971
   62    H1*    A   6           H1*        A   6  -6.187   7.003  14.078
   63    H8     A   6           H8         A   6  -3.258   4.933  15.125
   64   1H6     A   6          1H6         A   6  -6.716   0.015  13.564
   65   2H6     A   6          2H6         A   6  -5.089   0.509  14.017
   66    H2     A   6           H2         A   6  -9.394   3.484  13.843
   67   1H5*    G   7          1H5*        G   7  -8.127   6.910  18.567
   68   2H5*    G   7          2H5*        G   7  -8.409   6.428  20.251
   69    H4*    G   7           H4*        G   7  -9.658   5.037  18.600
   70    H3*    G   7           H3*        G   7  -7.551   3.600  20.236
   71    H2*    G   7           H2*        G   7  -8.402   1.559  19.224
   72   2HO*    G   7          2HO*        G   7 -10.648   2.535  19.222
   73    H1*    G   7           H1*        G   7  -8.413   2.560  16.697
   74    H8     G   7           H8         G   7  -5.380   4.154  18.296
   75    H1     G   7           H1         G   7  -4.588  -2.111  17.048
   76   1H2     G   7          2H2         G   7  -6.551  -3.020  16.512
   77   2H2     G   7          1H2         G   7  -8.008  -2.028  16.398
   78   1H5*    A   8          1H5*        A   8 -11.181   1.313  20.481
   79   2H5*    A   8          2H5*        A   8 -11.398   0.632  22.098
   80    H4*    A   8           H4*        A   8 -11.354  -1.053  20.211
   81    H3*    A   8           H3*        A   8  -9.344  -1.251  22.460
   82    H2*    A   8           H2*        A   8  -8.655  -3.358  21.478
   83   2HO*    A   8          2HO*        A   8 -11.006  -3.739  20.863
   84    H1*    A   8           H1*        A   8  -8.596  -2.424  18.909
   85    H8     A   8           H8         A   8  -7.252   0.502  20.833
   86   1H6     A   8          1H6         A   8  -1.797  -2.496  20.476
   87   2H6     A   8          2H6         A   8  -2.563  -0.939  20.767
   88    H2     A   8           H2         A   8  -5.010  -5.395  19.573
   89   1H5*    C   9          1H5*        C   9 -11.176  -5.138  22.260
   90   2H5*    C   9          2H5*        C   9 -11.519  -5.725  23.900
   91    H4*    C   9           H4*        C   9 -10.007  -7.265  22.669
   92    H3*    C   9           H3*        C   9  -8.774  -5.788  25.023
   93    H2*    C   9           H2*        C   9  -6.823  -7.110  24.718
   94   2HO*    C   9          2HO*        C   9  -6.810  -8.863  23.224
   95    H1*    C   9           H1*        C   9  -6.879  -6.937  21.938
   96   1H4     C   9          2H4         C   9  -2.647  -2.623  23.640
   97   2H4     C   9          1H4         C   9  -3.885  -1.405  23.958
   98    H5     C   9           H5         C   9  -6.298  -1.985  23.925
   99    H6     C   9           H6         C   9  -7.870  -3.755  23.477
  100    H3T    C   9           H3T        C   9  -9.363  -8.521  24.818
  101   1H5*    G  10          1H5*        G  10   6.888  -6.568  22.020
  102   2H5*    G  10          2H5*        G  10   6.988  -7.728  20.688
  103    H4*    G  10           H4*        G  10   5.771  -8.904  22.273
  104    H3*    G  10           H3*        G  10   3.718  -7.533  20.503
  105    H2*    G  10           H2*        G  10   2.034  -8.682  21.654
  106   2HO*    G  10          2HO*        G  10   3.472 -10.629  21.853
  107    H1*    G  10           H1*        G  10   3.045  -8.144  24.125
  108    H8     G  10           H8         G  10   4.041  -4.928  22.857
  109    H1     G  10           H1         G  10  -2.372  -5.371  23.089
  110   1H2     G  10          2H2         G  10  -2.968  -7.525  22.976
  111   2H2     G  10          1H2         G  10  -1.759  -8.810  23.026
  112    H5T    G  10           H5T        G  10   5.427  -6.639  19.579
  113   1H5*    U  11          1H5*        U  11   2.614 -11.183  19.306
  114   2H5*    U  11          2H5*        U  11   2.486 -11.259  17.540
  115    H4*    U  11           H4*        U  11   0.297 -11.518  18.604
  116    H3*    U  11           H3*        U  11   0.665  -8.913  17.105
  117    H2*    U  11           H2*        U  11  -1.680  -8.524  17.521
  118   2HO*    U  11          2HO*        U  11  -2.171 -10.850  17.220
  119    H1*    U  11           H1*        U  11  -1.608  -9.275  20.121
  120    H3     U  11           H3         U  11  -2.206  -4.743  19.858
  121    H5     U  11           H5         U  11   1.959  -5.304  19.719
  122    H6     U  11           H6         U  11   1.587  -7.688  19.550
  123   1H5*    C  12          1H5*        C  12  -3.010 -10.800  15.534
  124   2H5*    C  12          2H5*        C  12  -3.122 -10.430  13.805
  125    H4*    C  12           H4*        C  12  -5.097  -9.671  15.162
  126    H3*    C  12           H3*        C  12  -3.477  -7.587  13.677
  127    H2*    C  12           H2*        C  12  -5.162  -6.003  14.346
  128   2HO*    C  12          2HO*        C  12  -6.835  -7.770  14.031
  129    H1*    C  12           H1*        C  12  -5.411  -6.963  16.919
  130   1H4     C  12          2H4         C  12  -1.743  -1.886  17.344
  131   2H4     C  12          1H4         C  12  -0.265  -2.830  17.137
  132    H5     C  12           H5         C  12  -0.370  -5.238  16.476
  133    H6     C  12           H6         C  12  -1.878  -7.085  16.075
  134   1H5*    G  13          1H5*        G  13  -7.287  -6.262  12.588
  135   2H5*    G  13          2H5*        G  13  -7.251  -5.914  10.853
  136    H4*    G  13           H4*        G  13  -7.780  -3.903  12.121
  137    H3*    G  13           H3*        G  13  -5.045  -3.852  10.823
  138    H2*    G  13           H2*        G  13  -4.951  -1.527  11.456
  139   2HO*    G  13          2HO*        G  13  -7.244  -1.139  11.035
  140    H1*    G  13           H1*        G  13  -5.775  -1.990  14.023
  141    H8     G  13           H8         G  13  -3.731  -4.963  12.757
  142    H1     G  13           H1         G  13  -0.095  -0.060  14.738
  143   1H2     G  13          1H2         G  13  -1.359   1.722  15.140
  144   2H2     G  13          2H2         G  13  -3.084   1.716  14.868
  145   1H5*    A  14          1H5*        A  14  -8.930  -1.607   9.231
  146   2H5*    A  14          2H5*        A  14  -8.601  -1.053   7.580
  147    H4*    A  14           H4*        A  14 -10.053   0.477   8.912
  148    H3*    A  14           H3*        A  14  -7.408   1.581   7.935
  149    H2*    A  14           H2*        A  14  -8.215   3.724   8.734
  150   2HO*    A  14          2HO*        A  14 -10.469   3.079   8.048
  151    H1*    A  14           H1*        A  14  -9.097   2.746  11.129
  152    H8     A  14           H8         A  14  -5.978   0.767  10.557
  153   1H6     A  14          1H6         A  14  -2.928   5.994  12.123
  154   2H6     A  14          2H6         A  14  -2.713   4.267  11.829
  155    H2     A  14           H2         A  14  -7.099   7.043  11.238
  156   1H5*    A  15          1H5*        A  15  -9.782   4.805   6.832
  157   2H5*    A  15          2H5*        A  15  -9.390   5.215   5.154
  158    H4*    A  15           H4*        A  15  -9.018   7.116   6.665
  159    H3*    A  15           H3*        A  15  -6.555   5.945   5.355
  160    H2*    A  15           H2*        A  15  -5.316   7.780   6.324
  161   2HO*    A  15          2HO*        A  15  -7.295   9.198   5.965
  162    H1*    A  15           H1*        A  15  -6.434   7.579   8.797
  163    H8     A  15           H8         A  15  -6.217   4.016   7.758
  164   1H6     A  15          1H6         A  15  -0.106   4.381   8.877
  165   2H6     A  15          2H6         A  15  -1.428   3.266   8.494
  166    H2     A  15           H2         A  15  -1.755   8.442   9.095
  167   1H5*    G  16          1H5*        G  16  -5.885  10.004   4.692
  168   2H5*    G  16          2H5*        G  16  -5.402  10.241   3.004
  169    H4*    G  16           H4*        G  16  -3.692  11.039   4.610
  170    H3*    G  16           H3*        G  16  -2.942   8.718   2.821
  171    H2*    G  16           H2*        G  16  -0.694   8.943   3.688
  172   2HO*    G  16          2HO*        G  16  -1.007  11.360   3.765
  173    H1*    G  16           H1*        G  16  -1.468   9.180   6.295
  174    H8     G  16           H8         G  16  -3.901   6.671   4.902
  175    H1     G  16           H1         G  16   1.991   4.255   5.822
  176   1H2     G  16          1H2         G  16   3.411   5.742   5.859
  177   2H2     G  16          2H2         G  16   3.157   7.423   5.802
  178   1H5*    C  17          1H5*        C  17   0.162  11.757   2.353
  179   2H5*    C  17          2H5*        C  17   0.561  11.896   0.632
  180    H4*    C  17           H4*        C  17   2.548  11.426   2.063
  181    H3*    C  17           H3*        C  17   1.745   9.338   0.021
  182    H2*    C  17           H2*        C  17   3.799   8.202   0.573
  183   2HO*    C  17          2HO*        C  17   4.867  10.387   0.817
  184    H1*    C  17           H1*        C  17   3.552   8.590   3.288
  185   1H4     C  17          2H4         C  17   1.404   2.728   2.530
  186   2H4     C  17          1H4         C  17  -0.247   3.309   2.350
  187    H5     C  17           H5         C  17  -0.747   5.717   2.001
  188    H6     C  17           H6         C  17   0.219   7.932   1.996
  189   1H5*    C  18          1H5*        C  18   6.019  10.243  -0.748
  190   2H5*    C  18          2H5*        C  18   6.203  10.357  -2.509
  191    H4*    C  18           H4*        C  18   7.749   8.681  -1.533
  192    H3*    C  18           H3*        C  18   5.537   7.607  -3.323
  193    H2*    C  18           H2*        C  18   6.550   5.469  -3.148
  194   2HO*    C  18          2HO*        C  18   8.629   5.205  -2.220
  195    H1*    C  18           H1*        C  18   7.226   5.745  -0.439
  196   1H4     C  18          2H4         C  18   2.127   2.052  -0.472
  197   2H4     C  18          1H4         C  18   1.031   3.426  -0.599
  198    H5     C  18           H5         C  18   1.882   5.722  -1.018
  199    H6     C  18           H6         C  18   3.887   7.052  -1.251
  200    H3T    C  18           H3T        C  18   8.283   7.698  -3.859