*HEADER    DNA                                     11-DEC-02   1NEV              
*TITLE     A-TRACT DECAMER                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*GP*CP*AP*AP*AP*AP*CP*GP*G)-3';                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: A4;                                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: 5'-D(*CP*CP*GP*TP*TP*TP*TP*GP*CP*C)-3';                    
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PHOSPHORAMIDITE SYNTHESIS, AND ZIMMER AND             
*SOURCE   4 CROTHERS PNAS 92, 3091-5 (1995);                                     
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: PHOSPHORAMIDITE SYNTHESIS, AND ZIMMER AND             
*SOURCE   8 CROTHERS PNAS 92, 3091-5 (1995)                                      
*KEYWDS    A-TRACT, DNA BENDING, DNA DECAMER                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.BARBIC, D.P.ZIMMER, D.M.CROTHERS                                    
*REVDAT   1   11-MAR-03 1NEV    0                                                


! NOE data (relax matrix)

assign (segid A and resid 1 and name H1')
       (segid A and resid 1 and name H2') 3.05 0.30 0.30

assign (segid A and resid 1 and name H1')
       (segid A and resid 1 and name H2'') 2.27 0.23 0.23

assign (segid A and resid 1 and name H1')
       (segid A and resid 1 and name H3') 3.94 0.39 0.39

assign (segid A and resid 1 and name H1')
       (segid A and resid 1 and name H8) 3.37 0.34 0.34

assign (segid A and resid 1 and name H1')
       (segid A and resid 2 and name H3') 5.58 0.56 0.56

assign (segid A and resid 1 and name H1')
       (segid A and resid 2 and name H4') 5.04 0.50 0.50

assign (segid A and resid 1 and name H1')
       (segid A and resid 2 and name H8) 3.21 0.32 0.32

assign (segid A and resid 1 and name H2')
       (segid A and resid 1 and name H3') 2.43 0.24 0.24

assign (segid A and resid 1 and name H2')
       (segid A and resid 1 and name H8) 2.25 0.23 0.23

assign (segid A and resid 1 and name H2'')
       (segid A and resid 1 and name H3') 2.68 0.27 0.27

assign (segid A and resid 1 and name H2'')
       (segid A and resid 1 and name H8) 3.39 0.34 0.34

assign (segid A and resid 1 and name H3')
       (segid A and resid 1 and name H8) 4.54 0.45 0.45

assign (segid A and resid 1 and name H3')
       (segid A and resid 2 and name H8) 4.78 0.48 0.48

assign (segid A and resid 1 and name H4')
       (segid A and resid 1 and name H8) 4.70 0.47 0.47

assign (segid A and resid 10 and name H1')
       (segid A and resid 10 and name H2') 3.03 0.30 0.30

assign (segid A and resid 10 and name H1')
       (segid A and resid 10 and name H2'') 2.21 0.22 0.22

assign (segid A and resid 10 and name H1')
       (segid A and resid 10 and name H3') 3.96 0.40 0.40

assign (segid A and resid 10 and name H1')
       (segid A and resid 10 and name H8) 3.98 0.40 0.40

assign (segid A and resid 10 and name H1')
       (segid A and resid 9 and name H1') 4.48 0.45 0.45

assign (segid A and resid 10 and name H2')
       (segid A and resid 10 and name H2'') 1.80 0.18 0.18

assign (segid A and resid 10 and name H2')
       (segid A and resid 10 and name H3') 2.37 0.24 0.24

assign (segid A and resid 10 and name H2')
       (segid A and resid 10 and name H8) 2.27 0.23 0.23

assign (segid A and resid 10 and name H2'')
       (segid A and resid 10 and name H3') 3.00 0.30 0.30

assign (segid A and resid 10 and name H2'')
       (segid A and resid 10 and name H4') 3.84 0.38 0.38

assign (segid A and resid 10 and name H2'')
       (segid A and resid 10 and name H8) 3.71 0.37 0.37

assign (segid A and resid 10 and name H2'')
       (segid A and resid 9 and name H1') 5.65 0.64 0.64

assign (segid A and resid 10 and name H3')
       (segid A and resid 10 and name H8) 3.72 0.37 0.37

assign (segid A and resid 10 and name H3')
       (segid A and resid 9 and name H1') 6.10 0.61 0.61

assign (segid A and resid 10 and name H3')
       (segid A and resid 9 and name H2'') 5.96 0.60 0.60

assign (segid A and resid 10 and name H4')
       (segid A and resid 10 and name H8) 4.71 0.47 0.47

assign (segid A and resid 2 and name H1')
       (segid A and resid 2 and name H8) 3.43 0.34 0.34

assign (segid A and resid 2 and name H1')
       (segid A and resid 3 and name H1') 4.21 0.42 0.42

assign (segid A and resid 2 and name H1')
       (segid A and resid 3 and name H2') 4.99 0.50 0.50

assign (segid A and resid 2 and name H1')
       (segid A and resid 3 and name H2'') 5.05 0.51 0.51

assign (segid A and resid 2 and name H1')
       (segid A and resid 3 and name H3') 5.27 0.53 0.53

assign (segid A and resid 2 and name H1')
       (segid A and resid 3 and name H5) 3.46 0.35 0.35

assign (segid A and resid 2 and name H1')
       (segid A and resid 3 and name H6) 2.93 0.29 0.29

assign (segid A and resid 2 and name H2')
       (segid A and resid 2 and name H8) 2.27 0.23 0.23

assign (segid A and resid 2 and name H2')
       (segid A and resid 3 and name H5) 3.37 0.34 0.34

assign (segid A and resid 2 and name H2'')
       (segid A and resid 3 and name H5) 2.96 0.30 0.30

assign (segid A and resid 2 and name H3')
       (segid A and resid 2 and name H8) 4.26 0.43 0.43

assign (segid A and resid 2 and name H3')
       (segid A and resid 3 and name H6) 4.97 0.50 0.50

assign (segid A and resid 2 and name H4')
       (segid A and resid 2 and name H8) 4.73 0.47 0.47

assign (segid A and resid 2 and name H4')
       (segid A and resid 3 and name H6) 5.37 0.54 0.54

assign (segid A and resid 2 and name H8)
       (segid A and resid 3 and name H5) 3.38 0.34 0.34

assign (segid A and resid 2 and name H8)
       (segid A and resid 3 and name H6) 4.83 0.48 0.48

assign (segid A and resid 3 and name H1')
       (segid A and resid 3 and name H2') 3.10 0.31 0.31

assign (segid A and resid 3 and name H1')
       (segid A and resid 3 and name H2'') 2.26 0.23 0.23

assign (segid A and resid 3 and name H1')
       (segid A and resid 3 and name H3') 3.87 0.39 0.39

assign (segid A and resid 3 and name H1')
       (segid A and resid 3 and name H6) 3.59 0.36 0.36

assign (segid A and resid 3 and name H1')
       (segid A and resid 4 and name H2') 4.42 0.44 0.44

assign (segid A and resid 3 and name H1')
       (segid A and resid 4 and name H2'') 6.38 0.64 0.64

assign (segid A and resid 3 and name H1')
       (segid A and resid 4 and name H3') 6.35 0.64 0.64

assign (segid A and resid 3 and name H1')
       (segid A and resid 4 and name H4') 5.22 0.52 0.52

assign (segid A and resid 3 and name H1')
       (segid A and resid 4 and name H8) 3.90 0.39 0.39

assign (segid A and resid 3 and name H2')
       (segid A and resid 3 and name H2'') 1.78 0.18 0.18

assign (segid A and resid 3 and name H2')
       (segid A and resid 3 and name H3') 2.50 0.25 0.25

assign (segid A and resid 3 and name H2')
       (segid A and resid 3 and name H4') 4.00 0.40 0.40

assign (segid A and resid 3 and name H2')
       (segid A and resid 3 and name H5) 3.69 0.37 0.37

assign (segid A and resid 3 and name H2')
       (segid A and resid 3 and name H6) 2.30 0.23 0.23

assign (segid A and resid 3 and name H2')
       (segid A and resid 4 and name H8) 3.73 0.37 0.37

assign (segid A and resid 3 and name H2'')
       (segid A and resid 3 and name H5) 4.77 0.48 0.48

assign (segid A and resid 3 and name H2'')
       (segid A and resid 4 and name H8) 2.94 0.29 0.29

assign (segid A and resid 3 and name H3')
       (segid A and resid 3 and name H6) 3.27 0.33 0.33

assign (segid A and resid 3 and name H3')
       (segid A and resid 4 and name H8) 4.73 0.47 0.47

assign (segid A and resid 3 and name H5)
       (segid A and resid 3 and name H6) 2.49 0.25 0.25

assign (segid A and resid 3 and name H6)
       (segid A and resid 4 and name H8) 5.67 0.65 0.65

assign (segid A and resid 4 and name H1')
       (segid A and resid 4 and name H2') 2.44 0.24 0.24

assign (segid A and resid 4 and name H1')
       (segid A and resid 4 and name H4') 2.78 0.28 0.28

assign (segid A and resid 4 and name H1')
       (segid A and resid 4 and name H8) 4.00 0.40 0.40

assign (segid A and resid 4 and name H1')
       (segid A and resid 5 and name H8) 3.12 0.31 0.31

assign (segid A and resid 4 and name H2)
       (segid A and resid 5 and name H2) 3.31 0.33 0.33

assign (segid A and resid 4 and name H2)
       (segid B and resid 18 and name H1') 4.25 0.42 0.42

assign (segid A and resid 4 and name H2')
       (segid A and resid 4 and name H8) 2.18 0.22 0.22

assign (segid A and resid 4 and name H2')
       (segid A and resid 5 and name H8) 3.29 0.47 0.47

assign (segid A and resid 4 and name H2'')
       (segid A and resid 4 and name H8) 3.22 0.32 0.32

assign (segid A and resid 4 and name H4')
       (segid A and resid 4 and name H8) 5.54 0.55 0.55

assign (segid A and resid 4 and name H4')
       (segid A and resid 5 and name H8) 5.66 0.57 0.57

assign (segid A and resid 5 and name H1')
       (segid A and resid 5 and name H2) 4.53 0.45 0.45

assign (segid A and resid 5 and name H1')
       (segid A and resid 5 and name H2') 2.72 0.27 0.27

assign (segid A and resid 5 and name H1')
       (segid A and resid 5 and name H8) 3.32 0.33 0.33

assign (segid A and resid 5 and name H1')
       (segid A and resid 6 and name H8) 3.04 0.30 0.30

assign (segid A and resid 5 and name H2')
       (segid A and resid 5 and name H8) 2.40 0.24 0.24

assign (segid A and resid 5 and name H2'')
       (segid A and resid 6 and name H8) 2.54 0.25 0.25

assign (segid A and resid 5 and name H4')
       (segid A and resid 5 and name H8) 4.83 0.48 0.48

assign (segid A and resid 6 and name H1')
       (segid A and resid 6 and name H2'') 2.06 0.21 0.21

assign (segid A and resid 6 and name H1')
       (segid A and resid 6 and name H8) 3.77 0.38 0.38

assign (segid A and resid 6 and name H1')
       (segid A and resid 7 and name H8) 3.12 0.56 0.56

assign (segid A and resid 6 and name H2)
       (segid A and resid 7 and name H2) 3.48 0.35 0.35

assign (segid A and resid 6 and name H2)
       (segid B and resid 15 and name H1') 5.60 0.75 0.75

assign (segid A and resid 6 and name H2)
       (segid B and resid 16 and name H1') 3.57 0.36 0.36

assign (segid A and resid 6 and name H2')
       (segid A and resid 6 and name H2'') 1.76 0.18 0.18

assign (segid A and resid 6 and name H3')
       (segid A and resid 6 and name H8) 3.97 0.40 0.40

assign (segid A and resid 6 and name H4')
       (segid A and resid 6 and name H8) 4.40 0.44 0.44

assign (segid A and resid 7 and name H1')
       (segid A and resid 7 and name H2'') 2.10 0.21 0.21

assign (segid A and resid 7 and name H1')
       (segid A and resid 7 and name H3') 3.68 0.37 0.37

assign (segid A and resid 7 and name H1')
       (segid A and resid 7 and name H4') 2.55 0.31 0.31

assign (segid A and resid 7 and name H1')
       (segid A and resid 7 and name H8) 3.96 0.40 0.40

assign (segid A and resid 7 and name H1')
       (segid A and resid 8 and name H1') 4.32 0.52 0.52

assign (segid A and resid 7 and name H1')
       (segid A and resid 8 and name H5) 4.48 0.45 0.45

assign (segid A and resid 7 and name H1')
       (segid A and resid 8 and name H6) 3.11 0.31 0.31

assign (segid A and resid 7 and name H2)
       (segid A and resid 8 and name H1') 3.74 0.37 0.37

assign (segid A and resid 7 and name H2)
       (segid B and resid 14 and name H1') 4.95 0.53 0.53

assign (segid A and resid 7 and name H2)
       (segid B and resid 15 and name H1') 3.85 0.39 0.39

assign (segid A and resid 7 and name H2')
       (segid A and resid 7 and name H2'') 1.77 0.18 0.18

assign (segid A and resid 7 and name H2')
       (segid A and resid 7 and name H3') 2.32 0.23 0.23

assign (segid A and resid 7 and name H2')
       (segid A and resid 7 and name H4') 3.41 0.34 0.34

assign (segid A and resid 7 and name H2')
       (segid A and resid 7 and name H8) 2.28 0.23 0.23

assign (segid A and resid 7 and name H2')
       (segid A and resid 8 and name H5) 2.89 0.29 0.29

assign (segid A and resid 7 and name H2')
       (segid A and resid 8 and name H6) 3.57 0.36 0.36

assign (segid A and resid 7 and name H2'')
       (segid A and resid 8 and name H3') 6.37 0.64 0.64

assign (segid A and resid 7 and name H2'')
       (segid A and resid 8 and name H6) 2.26 0.23 0.23

assign (segid A and resid 7 and name H3')
       (segid A and resid 7 and name H8) 4.17 0.42 0.42

assign (segid A and resid 7 and name H3')
       (segid A and resid 8 and name H6) 4.20 0.42 0.42

assign (segid A and resid 7 and name H4')
       (segid A and resid 7 and name H8) 3.94 0.39 0.39

assign (segid A and resid 7 and name H4')
       (segid A and resid 8 and name H6) 4.84 0.48 0.48

assign (segid A and resid 7 and name H8)
       (segid A and resid 8 and name H5) 3.71 0.37 0.37

assign (segid A and resid 7 and name H8)
       (segid A and resid 8 and name H6) 5.02 0.50 0.50

assign (segid A and resid 8 and name H1')
       (segid A and resid 8 and name H2') 3.10 0.31 0.31

assign (segid A and resid 8 and name H1')
       (segid A and resid 8 and name H2'') 2.29 0.23 0.23

assign (segid A and resid 8 and name H1')
       (segid A and resid 8 and name H3') 4.00 0.40 0.40

assign (segid A and resid 8 and name H1')
       (segid A and resid 8 and name H5) 5.45 0.55 0.55

assign (segid A and resid 8 and name H1')
       (segid A and resid 8 and name H6) 3.66 0.37 0.37

assign (segid A and resid 8 and name H1')
       (segid A and resid 9 and name H4') 5.01 0.50 0.50

assign (segid A and resid 8 and name H1')
       (segid A and resid 9 and name H8) 4.07 0.53 0.53

assign (segid A and resid 8 and name H2')
       (segid A and resid 8 and name H3') 2.50 0.25 0.25

assign (segid A and resid 8 and name H2')
       (segid A and resid 8 and name H4') 3.88 0.39 0.39

assign (segid A and resid 8 and name H2')
       (segid A and resid 8 and name H5) 4.91 0.49 0.49

assign (segid A and resid 8 and name H2')
       (segid A and resid 8 and name H6) 2.67 0.27 0.27

assign (segid A and resid 8 and name H2')
       (segid A and resid 9 and name H8) 3.24 0.32 0.32

assign (segid A and resid 8 and name H2'')
       (segid A and resid 8 and name H5) 5.64 0.64 0.64

assign (segid A and resid 8 and name H2'')
       (segid A and resid 8 and name H6) 3.32 0.61 0.61

assign (segid A and resid 8 and name H2'')
       (segid A and resid 9 and name H8) 2.75 0.28 0.28

assign (segid A and resid 8 and name H5)
       (segid A and resid 8 and name H6) 2.50 0.25 0.25

assign (segid A and resid 8 and name H6)
       (segid A and resid 9 and name H8) 5.16 1.46 1.46

assign (segid A and resid 9 and name H1')
       (segid A and resid 9 and name H2') 3.00 0.30 0.30

assign (segid A and resid 9 and name H1')
       (segid A and resid 9 and name H2'') 2.31 0.23 0.23

assign (segid A and resid 9 and name H1')
       (segid A and resid 9 and name H3') 3.81 0.38 0.38

assign (segid A and resid 9 and name H1')
       (segid A and resid 9 and name H4') 3.09 0.31 0.31

assign (segid A and resid 9 and name H2')
       (segid A and resid 9 and name H8) 2.03 0.20 0.20

assign (segid A and resid 9 and name H2'')
       (segid A and resid 9 and name H8) 3.21 0.65 0.65

assign (segid A and resid 9 and name H3')
       (segid A and resid 9 and name H8) 4.25 0.42 0.42

assign (segid A and resid 9 and name H4')
       (segid A and resid 9 and name H8) 4.83 0.48 0.48

assign (segid B and resid 11 and name H1')
       (segid B and resid 11 and name H2') 3.10 0.31 0.31

assign (segid B and resid 11 and name H1')
       (segid B and resid 11 and name H2'') 2.40 0.24 0.24

assign (segid B and resid 11 and name H1')
       (segid B and resid 11 and name H3') 4.00 0.40 0.40

assign (segid B and resid 11 and name H1')
       (segid B and resid 11 and name H6) 3.48 0.35 0.35

assign (segid B and resid 11 and name H1')
       (segid B and resid 12 and name H5) 4.25 0.42 0.42

assign (segid B and resid 11 and name H1')
       (segid B and resid 12 and name H6) 4.00 0.40 0.40

assign (segid B and resid 11 and name H2')
       (segid B and resid 11 and name H3') 2.49 0.25 0.25

assign (segid B and resid 11 and name H2')
       (segid B and resid 11 and name H6) 2.47 0.25 0.25

assign (segid B and resid 11 and name H2')
       (segid B and resid 12 and name H5) 3.28 0.33 0.33

assign (segid B and resid 11 and name H2')
       (segid B and resid 12 and name H6) 2.69 0.27 0.27

assign (segid B and resid 11 and name H2'')
       (segid B and resid 11 and name H6) 3.37 0.34 0.34

assign (segid B and resid 11 and name H2'')
       (segid B and resid 12 and name H6) 2.72 0.27 0.27

assign (segid B and resid 11 and name H3')
       (segid B and resid 11 and name H6) 3.70 0.37 0.37

assign (segid B and resid 11 and name H3')
       (segid B and resid 12 and name H5) 3.96 0.40 0.40

assign (segid B and resid 11 and name H3')
       (segid B and resid 12 and name H6) 3.99 0.40 0.40

assign (segid B and resid 11 and name H4')
       (segid B and resid 11 and name H6) 4.50 0.45 0.45

assign (segid B and resid 11 and name H5)
       (segid B and resid 11 and name H6) 2.42 0.24 0.24

assign (segid B and resid 11 and name H5)
       (segid B and resid 12 and name H6) 5.91 0.59 0.59

assign (segid B and resid 11 and name H6)
       (segid B and resid 12 and name H2') 5.90 0.59 0.59

assign (segid B and resid 11 and name H6)
       (segid B and resid 12 and name H5) 3.48 0.35 0.35

assign (segid B and resid 11 and name H6)
       (segid B and resid 12 and name H6) 4.37 0.44 0.44

assign (segid B and resid 12 and name H1')
       (segid B and resid 12 and name H2'') 2.40 0.24 0.24

assign (segid B and resid 12 and name H1')
       (segid B and resid 12 and name H3') 3.80 0.38 0.38

assign (segid B and resid 12 and name H1')
       (segid B and resid 12 and name H6) 3.80 0.38 0.38

assign (segid B and resid 12 and name H1')
       (segid B and resid 13 and name H1') 4.67 0.47 0.47

assign (segid B and resid 12 and name H1')
       (segid B and resid 13 and name H2'') 6.43 0.64 0.64

assign (segid B and resid 12 and name H1')
       (segid B and resid 13 and name H3') 6.08 0.61 0.61

assign (segid B and resid 12 and name H1')
       (segid B and resid 13 and name H8) 3.38 0.43 0.43

assign (segid B and resid 12 and name H2')
       (segid B and resid 12 and name H6) 2.27 0.23 0.23

assign (segid B and resid 12 and name H2')
       (segid B and resid 13 and name H8) 4.22 0.42 0.42

assign (segid B and resid 12 and name H2'')
       (segid B and resid 12 and name H3') 2.82 0.28 0.28

assign (segid B and resid 12 and name H2'')
       (segid B and resid 12 and name H6) 3.59 0.42 0.42

assign (segid B and resid 12 and name H3')
       (segid B and resid 12 and name H6) 3.69 0.43 0.43

assign (segid B and resid 12 and name H3')
       (segid B and resid 13 and name H8) 4.30 0.43 0.43

assign (segid B and resid 12 and name H4')
       (segid B and resid 12 and name H6) 4.43 0.44 0.44

assign (segid B and resid 12 and name H5)
       (segid B and resid 12 and name H6) 2.44 0.24 0.24

assign (segid B and resid 12 and name H6)
       (segid B and resid 13 and name H8) 6.35 0.64 0.64

assign (segid B and resid 13 and name H1')
       (segid B and resid 13 and name H2') 2.65 0.27 0.27

assign (segid B and resid 13 and name H1')
       (segid B and resid 13 and name H3') 3.57 0.36 0.36

assign (segid B and resid 13 and name H1')
       (segid B and resid 13 and name H4') 3.04 0.30 0.30

assign (segid B and resid 13 and name H1')
       (segid B and resid 13 and name H8) 3.64 0.36 0.36

assign (segid B and resid 13 and name H1')
       (segid B and resid 14 and name H7#) 4.17 0.42 0.42

assign (segid B and resid 13 and name H2')
       (segid B and resid 13 and name H8) 2.34 0.23 0.23

assign (segid B and resid 13 and name H2')
       (segid B and resid 14 and name H7#) 3.33 0.33 0.33

assign (segid B and resid 13 and name H2'')
       (segid B and resid 14 and name H3') 4.44 0.44 0.44

assign (segid B and resid 13 and name H2'')
       (segid B and resid 14 and name H6) 2.53 0.25 0.25

assign (segid B and resid 13 and name H2'')
       (segid B and resid 14 and name H7#) 3.35 0.34 0.34

assign (segid B and resid 13 and name H3')
       (segid B and resid 14 and name H6) 4.88 0.49 0.49

assign (segid B and resid 13 and name H3')
       (segid B and resid 14 and name H7#) 5.47 0.55 0.55

assign (segid B and resid 13 and name H4')
       (segid B and resid 14 and name H6) 5.58 0.56 0.56

assign (segid B and resid 13 and name H8)
       (segid B and resid 14 and name H6) 5.37 0.54 0.54

assign (segid B and resid 13 and name H8)
       (segid B and resid 14 and name H7#) 3.52 0.35 0.35

assign (segid B and resid 14 and name H1')
       (segid B and resid 14 and name H2') 3.10 0.31 0.31

assign (segid B and resid 14 and name H1')
       (segid B and resid 14 and name H2'') 2.07 0.21 0.21

assign (segid B and resid 14 and name H1')
       (segid B and resid 14 and name H3') 4.00 0.40 0.40

assign (segid B and resid 14 and name H1')
       (segid B and resid 15 and name H2') 3.92 0.39 0.39

assign (segid B and resid 14 and name H1')
       (segid B and resid 15 and name H6) 3.44 0.51 0.51

assign (segid B and resid 14 and name H1')
       (segid B and resid 15 and name H7#) 4.81 0.48 0.48

assign (segid B and resid 14 and name H2')
       (segid B and resid 14 and name H2'') 1.78 0.18 0.18

assign (segid B and resid 14 and name H2')
       (segid B and resid 14 and name H4') 3.30 0.33 0.33

assign (segid B and resid 14 and name H2')
       (segid B and resid 14 and name H6) 2.16 0.22 0.22

assign (segid B and resid 14 and name H2'')
       (segid B and resid 15 and name H7#) 3.33 0.33 0.33

assign (segid B and resid 14 and name H3')
       (segid B and resid 14 and name H6) 3.55 0.35 0.35

assign (segid B and resid 14 and name H6)
       (segid B and resid 14 and name H7#) 3.03 0.30 0.30

assign (segid B and resid 14 and name H6)
       (segid B and resid 15 and name H6) 4.66 0.47 0.47

assign (segid B and resid 14 and name H6)
       (segid B and resid 15 and name H7#) 3.25 0.33 0.33

assign (segid B and resid 15 and name H1')
       (segid B and resid 16 and name H7#) 4.36 0.44 0.44

assign (segid B and resid 15 and name H2')
       (segid B and resid 15 and name H2'') 1.77 0.18 0.18

assign (segid B and resid 15 and name H2'')
       (segid B and resid 16 and name H7#) 3.27 0.33 0.33

assign (segid B and resid 15 and name H3')
       (segid B and resid 15 and name H6) 4.43 0.44 0.44

assign (segid B and resid 16 and name H1')
       (segid B and resid 16 and name H2') 2.42 0.24 0.24

assign (segid B and resid 16 and name H1')
       (segid B and resid 16 and name H6) 3.74 0.37 0.37

assign (segid B and resid 16 and name H1')
       (segid B and resid 17 and name H2') 4.60 0.46 0.46

assign (segid B and resid 16 and name H1')
       (segid B and resid 17 and name H6) 2.94 0.29 0.29

assign (segid B and resid 16 and name H1')
       (segid B and resid 17 and name H7#) 4.55 0.46 0.46

assign (segid B and resid 16 and name H2'')
       (segid B and resid 17 and name H7#) 3.22 0.32 0.32

assign (segid B and resid 16 and name H4')
       (segid B and resid 16 and name H6) 3.32 0.33 0.33

assign (segid B and resid 17 and name H1')
       (segid B and resid 17 and name H3') 3.50 0.35 0.35

assign (segid B and resid 17 and name H1')
       (segid B and resid 17 and name H6) 3.53 0.54 0.54

assign (segid B and resid 17 and name H1')
       (segid B and resid 17 and name H7#) 6.19 0.62 0.62

assign (segid B and resid 17 and name H2')
       (segid B and resid 17 and name H3') 2.48 0.25 0.25

assign (segid B and resid 17 and name H2')
       (segid B and resid 17 and name H6) 2.06 0.21 0.21

assign (segid B and resid 17 and name H2')
       (segid B and resid 18 and name H8) 3.07 0.31 0.31

assign (segid B and resid 17 and name H3')
       (segid B and resid 17 and name H6) 3.08 0.31 0.31

assign (segid B and resid 17 and name H3')
       (segid B and resid 18 and name H8) 4.75 0.47 0.47

assign (segid B and resid 17 and name H6)
       (segid B and resid 18 and name H8) 4.89 0.49 0.49

assign (segid B and resid 18 and name H1')
       (segid B and resid 19 and name H5) 3.42 0.34 0.34

assign (segid B and resid 18 and name H1')
       (segid B and resid 19 and name H6) 2.82 0.28 0.28

assign (segid B and resid 18 and name H2'')
       (segid B and resid 19 and name H6) 2.28 0.23 0.23

assign (segid B and resid 18 and name H3')
       (segid B and resid 18 and name H8) 3.96 0.42 0.42

assign (segid B and resid 18 and name H3')
       (segid B and resid 19 and name H5) 5.44 0.54 0.54

assign (segid B and resid 18 and name H3')
       (segid B and resid 19 and name H6) 5.28 0.70 0.70

assign (segid B and resid 18 and name H4')
       (segid B and resid 18 and name H8) 4.88 0.49 0.49

assign (segid B and resid 18 and name H4')
       (segid B and resid 19 and name H5) 5.92 0.59 0.59

assign (segid B and resid 18 and name H4')
       (segid B and resid 19 and name H6) 4.92 0.49 0.49

assign (segid B and resid 18 and name H8)
       (segid B and resid 19 and name H5) 3.55 0.45 0.45

assign (segid B and resid 18 and name H8)
       (segid B and resid 19 and name H6) 5.23 0.52 0.52

assign (segid B and resid 19 and name H1')
       (segid B and resid 19 and name H2') 2.58 0.26 0.26

assign (segid B and resid 19 and name H1')
       (segid B and resid 19 and name H3') 3.75 0.38 0.38

assign (segid B and resid 19 and name H1')
       (segid B and resid 19 and name H5) 5.41 0.54 0.54

assign (segid B and resid 19 and name H1')
       (segid B and resid 19 and name H6) 3.39 0.34 0.34

assign (segid B and resid 19 and name H1')
       (segid B and resid 20 and name H3') 5.97 0.60 0.60

assign (segid B and resid 19 and name H1')
       (segid B and resid 20 and name H5) 4.59 0.46 0.46

assign (segid B and resid 19 and name H1')
       (segid B and resid 20 and name H6) 3.50 0.35 0.35

assign (segid B and resid 19 and name H2')
       (segid B and resid 19 and name H5) 3.93 0.68 0.68

assign (segid B and resid 19 and name H2')
       (segid B and resid 19 and name H6) 2.14 0.21 0.21

assign (segid B and resid 19 and name H2')
       (segid B and resid 20 and name H6) 2.69 0.27 0.27

assign (segid B and resid 19 and name H2'')
       (segid B and resid 19 and name H3') 2.80 0.28 0.28

assign (segid B and resid 19 and name H2'')
       (segid B and resid 19 and name H5) 5.04 0.50 0.50

assign (segid B and resid 19 and name H2'')
       (segid B and resid 20 and name H3') 4.16 0.42 0.42

assign (segid B and resid 19 and name H2'')
       (segid B and resid 20 and name H6) 2.85 0.28 0.28

assign (segid B and resid 19 and name H3')
       (segid B and resid 19 and name H5) 6.17 1.97 1.97

assign (segid B and resid 19 and name H3')
       (segid B and resid 19 and name H6) 3.54 1.09 1.09

assign (segid B and resid 19 and name H3')
       (segid B and resid 20 and name H6) 4.42 0.71 0.71

assign (segid B and resid 19 and name H4')
       (segid B and resid 19 and name H6) 4.31 0.43 0.43

assign (segid B and resid 19 and name H5)
       (segid B and resid 19 and name H6) 2.45 0.24 0.24

assign (segid B and resid 19 and name H5)
       (segid B and resid 20 and name H5) 4.03 0.40 0.40

assign (segid B and resid 19 and name H5)
       (segid B and resid 20 and name H6) 5.94 0.59 0.59

assign (segid B and resid 19 and name H6)
       (segid B and resid 20 and name H5) 3.69 0.37 0.37

assign (segid B and resid 19 and name H6)
       (segid B and resid 20 and name H6) 4.51 0.45 0.45

assign (segid B and resid 20 and name H1')
       (segid B and resid 20 and name H3') 3.98 0.40 0.40

assign (segid B and resid 20 and name H1')
       (segid B and resid 20 and name H4') 3.06 0.31 0.31

assign (segid B and resid 20 and name H1')
       (segid B and resid 20 and name H5) 5.30 0.53 0.53

assign (segid B and resid 20 and name H1')
       (segid B and resid 20 and name H6) 3.45 0.34 0.34

assign (segid B and resid 20 and name H2')
       (segid B and resid 20 and name H3') 2.46 0.25 0.25

assign (segid B and resid 20 and name H3')
       (segid B and resid 20 and name H5) 4.12 0.41 0.41

assign (segid B and resid 20 and name H3')
       (segid B and resid 20 and name H6) 2.63 0.26 0.26

assign (segid B and resid 20 and name H4')
       (segid B and resid 20 and name H6) 4.41 0.44 0.44

assign (segid B and resid 20 and name H5)
       (segid B and resid 20 and name H6) 2.50 0.25 0.25

!NOE -overlapped peaks

assign (segid A and resid 10 and name H4')
       (segid A and resid 9 and name H1') 3.60 2.0 2.0

assign (segid A and resid 4 and name H3')
       (segid A and resid 4 and name H8) 3.60 2.0 2.0

assign (segid A and resid 4 and name H5')
       (segid A and resid 4 and name H1') 3.60 2.0 2.0

assign (segid A and resid 4 and name H5'')
       (segid A and resid 4 and name H1') 3.60 2.0 2.0

assign (segid A and resid 4 and name H8)
       (segid A and resid 5 and name H8) 3.60 2.0 2.0

assign (segid A and resid 5 and name H2)
       (segid A and resid 6 and name H2) 3.60 2.0 2.0

assign (segid A and resid 5 and name H4')
       (segid A and resid 4 and name H1') 3.60 2.0 2.0

assign (segid A and resid 5 and name H8)
       (segid A and resid 6 and name H8) 3.60 2.0 2.0

assign (segid A and resid 6 and name H3')
       (segid A and resid 7 and name H8) 3.60 2.0 2.0

assign (segid A and resid 8 and name H4')
       (segid A and resid 8 and name H6) 3.60 2.0 2.0

assign (segid B and resid 13 and name H4')
       (segid B and resid 13 and name H8) 3.60 2.0 2.0

assign (segid B and resid 14 and name H3')
       (segid B and resid 15 and name H6) 3.60 2.0 2.0

assign (segid B and resid 15 and name H3')
       (segid B and resid 16 and name H6) 3.60 2.0 2.0

assign (segid B and resid 16 and name H3')
       (segid B and resid 17 and name H6) 3.60 2.0 2.0

assign (segid B and resid 16 and name H6)
       (segid B and resid 17 and name H6) 3.60 2.0 2.0

assign (segid B and resid 19 and name H1')
       (segid B and resid 20 and name H1') 3.60 2.0 2.0

assign (segid A and resid 1 and name H2')
       (segid A and resid 1 and name H5') 3.60 2.00 2.00

assign (segid A and resid 1 and name H2'')
       (segid A and resid 1 and name H5') 3.60 2.00 2.00

assign (segid A and resid 1 and name H5')
       (segid A and resid 1 and name H8) 3.60 2.00 2.00

assign (segid A and resid 10 and name H5')
       (segid A and resid 10 and name H8) 3.60 2.00 2.00

assign (segid A and resid 10 and name H5'')
       (segid A and resid 10 and name H8) 3.60 2.00 2.00

assign (segid A and resid 2 and name H2')
       (segid A and resid 2 and name H1') 3.60 2.00 2.00

assign (segid A and resid 2 and name H2')
       (segid A and resid 3 and name H6) 3.60 2.00 2.00

assign (segid A and resid 2 and name H2'')
       (segid A and resid 2 and name H1') 3.60 2.00 2.00

assign (segid A and resid 2 and name H2'')
       (segid A and resid 3 and name H6) 3.60 2.00 2.00

assign (segid A and resid 2 and name H3')
       (segid A and resid 2 and name H1') 3.60 2.00 2.00

assign (segid A and resid 2 and name H4')
       (segid A and resid 2 and name H1') 3.60 2.00 2.00

assign (segid A and resid 2 and name H5')
       (segid A and resid 2 and name H8) 3.60 2.00 2.00

assign (segid A and resid 2 and name H5'')
       (segid A and resid 2 and name H8) 3.60 2.00 2.00

assign (segid A and resid 3 and name H2'')
       (segid A and resid 3 and name H6) 3.60 2.00 2.00

assign (segid A and resid 3 and name H4')
       (segid A and resid 3 and name H1') 3.60 2.00 2.00

assign (segid A and resid 3 and name H4')
       (segid A and resid 3 and name H6) 3.60 2.00 2.00

assign (segid A and resid 4 and name H1')
       (segid A and resid 4 and name H2) 3.60 2.00 2.00

assign (segid A and resid 4 and name H2'')
       (segid A and resid 4 and name H1') 3.60 2.00 2.00

assign (segid A and resid 4 and name H2'')
       (segid A and resid 5 and name H8) 3.60 2.00 2.00

assign (segid A and resid 4 and name H5')
       (segid A and resid 4 and name H8) 3.60 2.00 2.00

assign (segid A and resid 4 and name H5'')
       (segid A and resid 3 and name H1') 3.60 2.00 2.00

assign (segid A and resid 4 and name H5'')
       (segid A and resid 4 and name H8) 3.60 2.00 2.00

assign (segid A and resid 5 and name H1')
       (segid A and resid 4 and name H2) 3.60 2.00 2.00

assign (segid A and resid 5 and name H2')
       (segid A and resid 5 and name H1') 3.60 2.00 2.00

assign (segid A and resid 5 and name H2')
       (segid A and resid 6 and name H8) 3.60 2.00 2.00

assign (segid A and resid 5 and name H2'')
       (segid A and resid 5 and name H8) 3.60 2.00 2.00

assign (segid A and resid 5 and name H3')
       (segid A and resid 5 and name H8) 3.60 2.00 2.00

assign (segid A and resid 5 and name H5')
       (segid A and resid 5 and name H8) 3.60 2.00 2.00

assign (segid A and resid 6 and name H1')
       (segid A and resid 5 and name H2) 3.60 2.00 2.00

assign (segid A and resid 6 and name H1')
       (segid A and resid 6 and name H2) 3.60 2.00 2.00

assign (segid A and resid 6 and name H1')
       (segid A and resid 7 and name H2) 3.60 2.00 2.00

assign (segid A and resid 6 and name H2')
       (segid A and resid 6 and name H1') 3.60 2.00 2.00

assign (segid A and resid 6 and name H2')
       (segid A and resid 6 and name H8) 3.60 2.00 2.00

assign (segid A and resid 6 and name H2')
       (segid A and resid 7 and name H8) 3.60 2.00 2.00

assign (segid A and resid 6 and name H3')
       (segid A and resid 6 and name H1') 3.60 2.00 2.00

assign (segid A and resid 6 and name H4')
       (segid A and resid 6 and name H1') 3.60 2.00 2.00

assign (segid A and resid 7 and name H2')
       (segid A and resid 7 and name H1') 3.60 2.00 2.00

assign (segid A and resid 7 and name H2'')
       (segid A and resid 7 and name H8) 3.60 2.00 2.00

assign (segid A and resid 8 and name H2')
       (segid A and resid 8 and name H3') 3.60 2.00 2.00

assign (segid A and resid 8 and name H3')
       (segid A and resid 8 and name H6) 3.60 2.00 2.00

assign (segid A and resid 8 and name H3')
       (segid A and resid 9 and name H8) 3.60 2.00 2.00

assign (segid A and resid 8 and name H4')
       (segid A and resid 9 and name H8) 3.60 2.00 2.00

assign (segid A and resid 8 and name H5')
       (segid A and resid 8 and name H6) 3.60 2.00 2.00

assign (segid A and resid 8 and name H5'')
       (segid A and resid 8 and name H6) 3.60 2.00 2.00

assign (segid A and resid 9 and name H1')
       (segid A and resid 10 and name H8) 3.60 2.00 2.00

assign (segid A and resid 9 and name H1')
       (segid A and resid 9 and name H8) 3.60 2.00 2.00

assign (segid B and resid 11 and name H2')
       (segid B and resid 11 and name H5) 3.60 2.00 2.00

assign (segid B and resid 11 and name H5')
       (segid B and resid 11 and name H6) 3.60 2.00 2.00

assign (segid B and resid 11 and name H5'')
       (segid B and resid 11 and name H6) 3.60 2.00 2.00

assign (segid B and resid 12 and name H2')
       (segid B and resid 12 and name H5) 3.60 2.00 2.00

assign (segid B and resid 12 and name H4')
       (segid B and resid 13 and name H8) 3.60 2.00 2.00

assign (segid B and resid 12 and name H5)
       (segid B and resid 11 and name H5) 3.60 2.00 2.00

assign (segid B and resid 12 and name H5')
       (segid B and resid 12 and name H6) 3.60 2.00 2.00

assign (segid B and resid 12 and name H5'')
       (segid B and resid 12 and name H6) 3.60 2.00 2.00

assign (segid B and resid 13 and name H1')
       (segid B and resid 14 and name H6) 3.60 2.00 2.00

assign (segid B and resid 13 and name H2')
       (segid B and resid 14 and name H6) 3.60 2.00 2.00

assign (segid B and resid 13 and name H2'')
       (segid B and resid 13 and name H1') 3.60 2.00 2.00

assign (segid B and resid 14 and name H1')
       (segid B and resid 14 and name H6) 3.60 2.00 2.00

assign (segid B and resid 14 and name H3')
       (segid B and resid 14 and name H1') 3.60 2.00 2.00

assign (segid B and resid 14 and name H4')
       (segid B and resid 14 and name H6) 3.60 2.00 2.00

assign (segid B and resid 14 and name H4')
       (segid B and resid 15 and name H6) 3.60 2.00 2.00

assign (segid B and resid 14 and name H5')
       (segid B and resid 14 and name H6) 3.60 2.00 2.00

assign (segid B and resid 15 and name H1')
       (segid B and resid 15 and name H6) 3.60 2.00 2.00

assign (segid B and resid 15 and name H1')
       (segid B and resid 16 and name H6) 3.60 2.00 2.00

assign (segid B and resid 15 and name H2')
       (segid B and resid 15 and name H6) 3.60 2.00 2.00

assign (segid B and resid 15 and name H3')
       (segid B and resid 15 and name H1') 3.60 2.00 2.00

assign (segid B and resid 16 and name H2')
       (segid B and resid 16 and name H6) 3.60 2.00 2.00

assign (segid B and resid 16 and name H2'')
       (segid B and resid 17 and name H6) 3.60 2.00 2.00

assign (segid B and resid 16 and name H3')
       (segid B and resid 16 and name H1') 3.60 2.00 2.00

assign (segid B and resid 16 and name H3')
       (segid B and resid 16 and name H6) 3.60 2.00 2.00

assign (segid B and resid 17 and name H1')
       (segid A and resid 5 and name H2) 3.60 2.00 2.00

assign (segid B and resid 17 and name H1')
       (segid B and resid 18 and name H8) 3.60 2.00 2.00

assign (segid B and resid 17 and name H2')
       (segid B and resid 17 and name H1') 3.60 2.00 2.00

assign (segid B and resid 17 and name H2'')
       (segid B and resid 18 and name H8) 3.60 2.00 2.00

assign (segid B and resid 17 and name H4')
       (segid B and resid 17 and name H6) 3.60 2.00 2.00

assign (segid B and resid 17 and name H4')
       (segid B and resid 18 and name H8) 3.60 2.00 2.00

assign (segid B and resid 17 and name H7#)
       (segid B and resid 17 and name H6) 3.60 2.00 2.00

assign (segid B and resid 18 and name H1')
       (segid B and resid 18 and name H8) 3.60 2.00 2.00

assign (segid B and resid 18 and name H2')
       (segid B and resid 18 and name H1') 3.60 2.00 2.00

assign (segid B and resid 18 and name H2')
       (segid B and resid 18 and name H8) 3.60 2.00 2.00

assign (segid B and resid 18 and name H2')
       (segid B and resid 19 and name H5) 3.60 2.00 2.00

assign (segid B and resid 18 and name H3')
       (segid B and resid 18 and name H1') 3.60 2.00 2.00

assign (segid B and resid 18 and name H4')
       (segid B and resid 18 and name H1') 3.60 2.00 2.00

assign (segid B and resid 19 and name H2')
       (segid B and resid 19 and name H3') 3.60 2.00 2.00

assign (segid B and resid 19 and name H2')
       (segid B and resid 20 and name H5) 3.60 2.00 2.00

assign (segid B and resid 19 and name H2'')
       (segid B and resid 19 and name H1') 3.60 2.00 2.00

assign (segid B and resid 19 and name H4')
       (segid B and resid 20 and name H6) 3.60 2.00 2.00

assign (segid B and resid 19 and name H5')
       (segid B and resid 19 and name H6) 3.60 2.00 2.00

assign (segid B and resid 19 and name H5'')
       (segid B and resid 19 and name H6) 3.60 2.00 2.00

assign (segid B and resid 20 and name H2')
       (segid B and resid 20 and name H1') 3.60 2.00 2.00

assign (segid B and resid 20 and name H2')
       (segid B and resid 20 and name H5) 3.60 2.00 2.00

assign (segid B and resid 20 and name H2')
       (segid B and resid 20 and name H6) 3.60 2.00 2.00

assign (segid B and resid 20 and name H2'')
       (segid B and resid 20 and name H4') 3.60 2.00 2.00

assign (segid B and resid 20 and name H5')
       (segid B and resid 20 and name H6) 3.60 2.00 2.00

assign (segid B and resid 20 and name H5'')
       (segid B and resid 20 and name H6) 3.60 2.00 2.00

! Exchangeables
assign (segid A and resid 2 and name H1)
       (segid B and resid 18 and name H1) 3.60 2.0 2.0

assign (segid A and resid 2 and name H1)
       (segid B and resid 19 and name H41) 3.60 2.0 2.0

assign (segid A and resid 2 and name H1)
       (segid B and resid 19 and name H5) 3.60 2.0 2.0

assign (segid A and resid 3 and name H41)
       (segid A and resid 3 and name H42) 3.60 2.0 2.0

assign (segid A and resid 3 and name H41)
       (segid B and resid 18 and name H1) 3.60 2.0 2.0

assign (segid A and resid 3 and name H42)
       (segid B and resid 18 and name H1) 3.60 2.0 2.0

assign (segid A and resid 3 and name H5)
       (segid B and resid 18 and name H1) 3.60 2.0 2.0

assign (segid A and resid 4 and name H2)
       (segid B and resid 16 and name H3) 3.60 2.0 2.0

assign (segid A and resid 4 and name H2)
       (segid B and resid 17 and name H3) 3.60 2.0 2.0

assign (segid A and resid 4 and name H2)
       (segid B and resid 18 and name H1) 3.60 2.0 2.0

!assign (segid A and resid 5 and name H1')
!       (segid B and resid 15 and name H3) 3.60 2.0 2.0

!assign (segid A and resid 5 and name H1')
!       (segid B and resid 16 and name H3) 3.60 2.0 2.0

assign (segid A and resid 5 and name H2)
       (segid B and resid 16 and name H3) 3.60 2.0 2.0

assign (segid A and resid 5 and name H2)
       (segid B and resid 17 and name H3) 3.60 2.0 2.0

!assign (segid A and resid 6 and name H1')
!       (segid B and resid 15 and name H3) 3.60 2.0 2.0

!assign (segid A and resid 6 and name H1')
!       (segid B and resid 16 and name H3) 3.60 2.0 2.0

assign (segid A and resid 6 and name H2)
       (segid B and resid 14 and name H3) 3.60 2.0 2.0

assign (segid A and resid 6 and name H2)
       (segid B and resid 15 and name H3) 3.60 2.0 2.0

assign (segid A and resid 7 and name H2)
       (segid B and resid 13 and name H1) 3.60 2.0 2.0

assign (segid A and resid 7 and name H2)
       (segid B and resid 14 and name H3) 3.60 2.0 2.0

assign (segid A and resid 7 and name H2)
       (segid B and resid 15 and name H3) 3.60 2.0 2.0

assign (segid A and resid 8 and name H41)
       (segid A and resid 8 and name H42) 3.60 2.0 2.0

assign (segid A and resid 8 and name H41)
       (segid A and resid 9 and name H1) 3.60 2.0 2.0

assign (segid A and resid 8 and name H41)
       (segid B and resid 13 and name H1) 3.60 2.0 2.0

assign (segid A and resid 8 and name H42)
       (segid A and resid 9 and name H1) 3.60 2.0 2.0

assign (segid A and resid 8 and name H42)
       (segid B and resid 13 and name H1) 3.60 2.0 2.0

assign (segid A and resid 9 and name H1)
       (segid B and resid 12 and name H41) 3.60 2.0 2.0

assign (segid A and resid 9 and name H1)
       (segid B and resid 12 and name H42) 3.60 2.0 2.0

assign (segid A and resid 9 and name H1)
       (segid B and resid 12 and name H5) 3.60 2.0 2.0

assign (segid A and resid 9 and name H1)
       (segid B and resid 13 and name H1) 3.60 2.0 2.0

assign (segid B and resid 12 and name H41)
       (segid B and resid 12 and name H42) 3.60 2.0 2.0

assign (segid B and resid 12 and name H42)
       (segid B and resid 13 and name H1) 3.60 2.0 2.0

!assign (segid B and resid 13 and name H1)
!       (segid B and resid 14 and name H1') 3.60 2.0 2.0

assign (segid B and resid 13 and name H1)
       (segid B and resid 14 and name H3) 3.60 2.0 2.0

!assign (segid B and resid 14 and name H1')
!       (segid B and resid 14 and name H3) 3.60 2.0 2.0

assign (segid B and resid 14 and name H3)
       (segid B and resid 14 and name H7#) 3.60 2.0 2.0

assign (segid B and resid 14 and name H3)
       (segid B and resid 15 and name H3) 3.60 2.0 2.0

assign (segid B and resid 14 and name H3)
       (segid B and resid 15 and name H7#) 3.60 2.0 2.0

!assign (segid B and resid 15 and name H1')
!       (segid B and resid 15 and name H3) 3.60 2.0 2.0

assign (segid B and resid 15 and name H3)
       (segid B and resid 16 and name H3) 3.60 2.0 2.0

assign (segid B and resid 15 and name H3)
       (segid B and resid 16 and name H7#) 3.60 2.0 2.0

!assign (segid B and resid 16 and name H1')
!       (segid B and resid 16 and name H3) 3.60 2.0 2.0

!assign (segid B and resid 16 and name H1')
!       (segid B and resid 17 and name H3) 3.60 2.0 2.0

assign (segid B and resid 16 and name H3)
       (segid B and resid 17 and name H3) 3.60 2.0 2.0

assign (segid B and resid 16 and name H3)
       (segid B and resid 17 and name H7#) 3.60 2.0 2.0

!assign (segid B and resid 17 and name H1')
!       (segid B and resid 17 and name H3) 3.60 2.0 2.0

assign (segid B and resid 17 and name H3)
       (segid B and resid 17 and name H7#) 3.60 2.0 2.0

assign (segid B and resid 17 and name H3)
       (segid B and resid 18 and name H1) 3.60 2.0 2.0

assign (segid B and resid 19 and name H41)
       (segid B and resid 19 and name H42) 3.60 2.0 2.0

! base pairing constraint file
! created by noe_hbond_make.pl 
! Distances followed by exclamation mark are from bax's d12
!
! G1-C20 Watson-Crick (B-form DNA)
assign (segid A and resid  1 and name H1 ) (segid B and resid  20 and name N3 )  1.85 0.10 0.10 
assign (segid A and resid  1 and name N1 ) (segid B and resid  20 and name N3 )  2.91 0.20 0.50
assign (segid A and resid  1 and name H22) (segid B and resid  20 and name O2 )  1.98 0.20 0.50
assign (segid A and resid  1 and name N2 ) (segid B and resid  20 and name O2 )  2.90 0.25 0.25 
assign (segid A and resid  1 and name O6 ) (segid B and resid  20 and name H42)  1.67 0.20 0.50
assign (segid A and resid  1 and name O6 ) (segid B and resid  20 and name N4 )  2.90 0.25 0.25 
! G2-C19 Watson-Crick (B-form DNA)
assign (segid A and resid  2 and name H1 ) (segid B and resid  19 and name N3 )  1.85 0.10 0.10 
assign (segid A and resid  2 and name N1 ) (segid B and resid  19 and name N3 )  2.91 0.20 0.30
assign (segid A and resid  2 and name H22) (segid B and resid  19 and name O2 )  1.98 0.20 0.30
assign (segid A and resid  2 and name N2 ) (segid B and resid  19 and name O2 )  2.90 0.25 0.25 
assign (segid A and resid  2 and name O6 ) (segid B and resid  19 and name H42)  1.67 0.20 0.30
assign (segid A and resid  2 and name O6 ) (segid B and resid  19 and name N4 )  2.90 0.25 0.25 
! C3-G18 Watson-Crick (B-form DNA)
assign (segid A and resid  3 and name N3 ) (segid B and resid  18 and name H1 )  1.85 0.10 0.10  
assign (segid A and resid  3 and name N3 ) (segid B and resid  18 and name N1 )  2.91 0.20 0.30
assign (segid A and resid  3 and name O2 ) (segid B and resid  18 and name H22)  1.98 0.20 0.30
assign (segid A and resid  3 and name O2 ) (segid B and resid  18 and name N2 )  2.90 0.25 0.25 
assign (segid A and resid  3 and name H42) (segid B and resid  18 and name O6 )  1.67 0.20 0.30
assign (segid A and resid  3 and name N4 ) (segid B and resid  18 and name O6 )  2.90 0.25 0.25 
! A4-T17 Watson-Crick (B-form DNA)
assign (segid A and resid  4 and name N1 ) (segid B and resid  17 and name H3 )  1.85 0.10 0.10 
assign (segid A and resid  4 and name N1 ) (segid B and resid  17 and name N3 )  2.95 0.20 0.30
assign (segid A and resid  4 and name N6 ) (segid B and resid  17 and name O4 )  2.90 0.25 0.25 
assign (segid A and resid  4 and name H62) (segid B and resid  17 and name O4 )  1.78 0.20 0.30
! A5-T16 Watson-Crick (B-form DNA)
assign (segid A and resid  5 and name N1 ) (segid B and resid  16 and name H3 )  1.85 0.10 0.10 
assign (segid A and resid  5 and name N1 ) (segid B and resid  16 and name N3 )  2.95 0.20 0.30
assign (segid A and resid  5 and name N6 ) (segid B and resid  16 and name O4 )  2.90 0.25 0.25 
assign (segid A and resid  5 and name H62) (segid B and resid  16 and name O4 )  1.78 0.20 0.30
! A6-T15 Watson-Crick (B-form DNA)
assign (segid A and resid  6 and name N1 ) (segid B and resid  15 and name H3 )  1.85 0.10 0.10 
assign (segid A and resid  6 and name N1 ) (segid B and resid  15 and name N3 )  2.95 0.20 0.30
assign (segid A and resid  6 and name N6 ) (segid B and resid  15 and name O4 )  2.90 0.25 0.25 
assign (segid A and resid  6 and name H62) (segid B and resid  15 and name O4 )  1.78 0.20 0.30
! A7-T14 Watson-Crick (B-form DNA)
assign (segid A and resid  7 and name N1 ) (segid B and resid  14 and name H3 )  1.85 0.10 0.10 
assign (segid A and resid  7 and name N1 ) (segid B and resid  14 and name N3 )  2.95 0.20 0.30
assign (segid A and resid  7 and name N6 ) (segid B and resid  14 and name O4 )  2.90 0.25 0.25 
assign (segid A and resid  7 and name H62) (segid B and resid  14 and name O4 )  1.78 0.20 0.30
! C8-G13 Watson-Crick (B-form DNA)
assign (segid A and resid  8 and name N3 ) (segid B and resid  13 and name H1 )  1.85 0.10 0.10 
assign (segid A and resid  8 and name N3 ) (segid B and resid  13 and name N1 )  2.91 0.20 0.30
assign (segid A and resid  8 and name O2 ) (segid B and resid  13 and name H22)  1.98 0.20 0.30
assign (segid A and resid  8 and name O2 ) (segid B and resid  13 and name N2 )  2.90 0.25 0.25 
assign (segid A and resid  8 and name H42) (segid B and resid  13 and name O6 )  1.67 0.20 0.30
assign (segid A and resid  8 and name N4 ) (segid B and resid  13 and name O6 )  2.90 0.25 0.25 
! G9-C12 Watson-Crick (B-form DNA)
assign (segid A and resid  9 and name H1 ) (segid B and resid  12 and name N3 )  1.85 0.10 0.10 
assign (segid A and resid  9 and name N1 ) (segid B and resid  12 and name N3 )  2.91 0.20 0.30
assign (segid A and resid  9 and name H22) (segid B and resid  12 and name O2 )  1.98 0.20 0.30
assign (segid A and resid  9 and name N2 ) (segid B and resid  12 and name O2 )  2.90 0.25 0.25 
assign (segid A and resid  9 and name O6 ) (segid B and resid  12 and name H42)  1.67 0.20 0.30
assign (segid A and resid  9 and name O6 ) (segid B and resid  12 and name N4 )  2.90 0.25 0.25 
! G10-C11 Watson-Crick (B-form DNA)
assign (segid A and resid  10 and name H1 ) (segid B and resid  11 and name N3 )  1.85 0.10 0.10 
assign (segid A and resid  10 and name N1 ) (segid B and resid  11 and name N3 )  2.91 0.20 0.40
assign (segid A and resid  10 and name H22) (segid B and resid  11 and name O2 )  1.98 0.20 0.40
assign (segid A and resid  10 and name N2 ) (segid B and resid  11 and name O2 )  2.90 0.25 0.25 
assign (segid A and resid  10 and name O6 ) (segid B and resid  11 and name H42)  1.67 0.20 0.40
assign (segid A and resid  10 and name O6 ) (segid B and resid  11 and name N4 )  2.90 0.25 0.25 

! Combined DPZ experimental and artificial restraints

!-------------------------------------------------
! Torsion angle epsilon
! defined: C4'-C3'-O3'-P(n+1)
!-------------------------------------------------

! G1 of segment: a
assign (segid a and resid 1 and name C4') (segid a and resid 1 and name C3') 
       (segid a and resid 1 and name O3') (segid a and resid 2 and name P  ) 
       1 195  15  2
! G2 of segment: a
assign (segid a and resid 2 and name C4') (segid a and resid 2 and name C3') 
       (segid a and resid 2 and name O3') (segid a and resid 3 and name P  ) 
       1 195  15  2
! C3 of segment: a
assign (segid a and resid 3 and name C4') (segid a and resid 3 and name C3') 
       (segid a and resid 3 and name O3') (segid a and resid 4 and name P  ) 
       1 205  15  2
! A4 of segment: a
assign (segid a and resid 4 and name C4') (segid a and resid 4 and name C3') 
       (segid a and resid 4 and name O3') (segid a and resid 5 and name P  ) 
       1 175  15  2
! A5 of segment: a
assign (segid a and resid 5 and name C4') (segid a and resid 5 and name C3') 
       (segid a and resid 5 and name O3') (segid a and resid 6 and name P  ) 
       1 175  15  2
! A6 of segment: a
assign (segid a and resid 6 and name C4') (segid a and resid 6 and name C3') 
       (segid a and resid 6 and name O3') (segid a and resid 7 and name P  ) 
       1 185  25  2
! A7 of segment: a
!assign (segid a and resid 7 and name C4') (segid a and resid 7 and name C3') 
!       (segid a and resid 7 and name O3') (segid a and resid 8 and name P  ) 
!       1 155  20  2
!! C8 of segment: a
!assign (segid a and resid 8 and name C4') (segid a and resid 8 and name C3') 
!       (segid a and resid 8 and name O3') (segid a and resid 9 and name P  ) 
!       1 155  20  2
! G9 of segment: a
assign (segid a and resid 9 and name C4') (segid a and resid 9 and name C3') 
       (segid a and resid 9 and name O3') (segid a and resid 10 and name P  ) 
       1 195  15  2

! C11 of segment: b
assign (segid b and resid 11 and name C4') (segid b and resid 11 and name C3') 
       (segid b and resid 11 and name O3') (segid b and resid 12 and name P  ) 
       1 195  15  2
! C12 of segment: b
assign (segid b and resid 12 and name C4') (segid b and resid 12 and name C3') 
       (segid b and resid 12 and name O3') (segid b and resid 13 and name P  ) 
       1 195  15  2
!! G13 of segment: b
!assign (segid b and resid 13 and name C4') (segid b and resid 13 and name C3') 
!       (segid b and resid 13 and name O3') (segid b and resid 14 and name P  ) 
!       1 155  20  2
! T14 of segment: b
assign (segid b and resid 14 and name C4') (segid b and resid 14 and name C3') 
       (segid b and resid 14 and name O3') (segid b and resid 15 and name P  ) 
       1 170  30  2
! T15 of segment: b
assign (segid b and resid 15 and name C4') (segid b and resid 15 and name C3') 
       (segid b and resid 15 and name O3') (segid b and resid 16 and name P  ) 
       1 170  30  2
! T16 of segment: b
assign (segid b and resid 16 and name C4') (segid b and resid 16 and name C3') 
       (segid b and resid 16 and name O3') (segid b and resid 17 and name P  ) 
       1 170  30  2
! T17 of segment: b
assign (segid b and resid 17 and name C4') (segid b and resid 17 and name C3') 
       (segid b and resid 17 and name O3') (segid b and resid 18 and name P  ) 
       1 185  25  2
! G18 of segment: b
assign (segid b and resid 18 and name C4') (segid b and resid 18 and name C3') 
       (segid b and resid 18 and name O3') (segid b and resid 19 and name P  ) 
       1 190  20  2
! C19 of segment: b
assign (segid b and resid 19 and name C4') (segid b and resid 19 and name C3') 
       (segid b and resid 19 and name O3') (segid b and resid 20 and name P  ) 
       1 195  15  2
!-----------------------------------------------
! Torsion angle chi  
!     200deg = _anti_; 60deg = _syn_
! Defined (pur): O4'-C1'-N9-C4
! Defined (pyr): O4'-C1'-N1-C2
!-----------------------------------------------
! G1 of segment: A
assign (segid A and resid 1 and name O4') (segid A and resid 1 and name C1') 
       (segid A and resid 1 and name N9 ) (segid A and resid 1 and name C4 ) 
       1 -97.8  30  2

! G2 of segment: A
assign (segid A and resid 2 and name O4') (segid A and resid 2 and name C1') 
       (segid A and resid 2 and name N9 ) (segid A and resid 2 and name C4 ) 
       1 -97.8  30  2

! C3 of segment: A
assign (segid A and resid 3 and name O4') (segid A and resid 3 and name C1') 
       (segid A and resid 3 and name N1 ) (segid A and resid 3 and name C2 ) 
       1 -97.8  30  2

! A4 of segment: A
assign (segid A and resid 4 and name O4') (segid A and resid 4 and name C1') 
       (segid A and resid 4 and name N9 ) (segid A and resid 4 and name C4 ) 
       1 -97.8  30  2

! A5 of segment: A
assign (segid A and resid 5 and name O4') (segid A and resid 5 and name C1') 
       (segid A and resid 5 and name N9 ) (segid A and resid 5 and name C4 ) 
       1 -97.8  30  2

! A6 of segment: A
assign (segid A and resid 6 and name O4') (segid A and resid 6 and name C1') 
       (segid A and resid 6 and name N9 ) (segid A and resid 6 and name C4 ) 
       1 -97.8  30  2

! A7 of segment: A
assign (segid A and resid 7 and name O4') (segid A and resid 7 and name C1') 
       (segid A and resid 7 and name N9 ) (segid A and resid 7 and name C4 ) 
       1 -97.8  30  2

! C8 of segment: A
assign (segid A and resid 8 and name O4') (segid A and resid 8 and name C1') 
       (segid A and resid 8 and name N1 ) (segid A and resid 8 and name C2 ) 
       1 -97.8  30  2

! G9 of segment: A
assign (segid A and resid 9 and name O4') (segid A and resid 9 and name C1') 
       (segid A and resid 9 and name N9 ) (segid A and resid 9 and name C4 ) 
       1 -97.8  30  2

! G10 of segment: A
assign (segid A and resid 10 and name O4') (segid A and resid 10 and name C1') 
       (segid A and resid 10 and name N9 ) (segid A and resid 10 and name C4 ) 
       1 -97.8  30  2


! C11 of segment: B
assign (segid B and resid 11 and name O4') (segid B and resid 11 and name C1') 
       (segid B and resid 11 and name N1 ) (segid B and resid 11 and name C2 ) 
       1 -97.8  30  2

! C12 of segment: B
assign (segid B and resid 12 and name O4') (segid B and resid 12 and name C1') 
       (segid B and resid 12 and name N1 ) (segid B and resid 12 and name C2 ) 
       1 -97.8  30  2

! G13 of segment: B
assign (segid B and resid 13 and name O4') (segid B and resid 13 and name C1') 
       (segid B and resid 13 and name N9 ) (segid B and resid 13 and name C4 ) 
       1 -97.8  30  2

! T14 of segment: B
assign (segid B and resid 14 and name O4') (segid B and resid 14 and name C1') 
       (segid B and resid 14 and name N1 ) (segid B and resid 14 and name C2 ) 
       1 -97.8  30  2

! T15 of segment: B
assign (segid B and resid 15 and name O4') (segid B and resid 15 and name C1') 
       (segid B and resid 15 and name N1 ) (segid B and resid 15 and name C2 ) 
       1 -97.8  30  2

! T16 of segment: B
assign (segid B and resid 16 and name O4') (segid B and resid 16 and name C1') 
       (segid B and resid 16 and name N1 ) (segid B and resid 16 and name C2 ) 
       1 -97.8  30  2

! T17 of segment: B
assign (segid B and resid 17 and name O4') (segid B and resid 17 and name C1') 
       (segid B and resid 17 and name N1 ) (segid B and resid 17 and name C2 ) 
       1 -97.8  30  2

! G18 of segment: B
assign (segid B and resid 18 and name O4') (segid B and resid 18 and name C1') 
       (segid B and resid 18 and name N9 ) (segid B and resid 18 and name C4 ) 
       1 -97.8  30  2

! C19 of segment: B
assign (segid B and resid 19 and name O4') (segid B and resid 19 and name C1') 
       (segid B and resid 19 and name N1 ) (segid B and resid 19 and name C2 ) 
       1 -97.8  30  2

! C20 of segment: B
assign (segid B and resid 20 and name O4') (segid B and resid 20 and name C1') 
       (segid B and resid 20 and name N1 ) (segid B and resid 20 and name C2 ) 
       1 -97.8  30  2

!XPLOR input file
!Output from pucker2nu.pl a4t_puckers_real_loose
!Sequence position nu Pmin Pmax
!G1  38.5    100 200
!G2  38.5    100 200
!C3  38.5    100 200
!A4  38.5    100 200
!A5  38.5    100 200
!A6  38.5    100 200
!A7  38.5    100 200
!C8  38.5    100 200
!G9  38.5    100 200
!G10  38.5   100 200

! G1 nu0
assign (segid A and segid A and resid 1 and name C4') (segid A and resid 1 and name O4')
 (segid A and resid 1 and name C1') (segid A and resid 1 and name C2')
  1 -18.6 19.9 2

! G1 nu1
assign (segid A and resid 1 and name O4') (segid A and resid 1 and name C1')
 (segid A and resid 1 and name C2') (segid A and resid 1 and name C3')
  1 30.0 8.5 2

! G1 nu2
assign (segid A and resid 1 and name C1') (segid A and resid 1 and name C2')
 (segid A and resid 1 and name C3') (segid A and resid 1 and name C4')
  1 -22.6 15.9 2

! G1 nu3
assign (segid A and resid 1 and name C2') (segid A and resid 1 and name C3')
 (segid A and resid 1 and name C4') (segid A and resid 1 and name O4')
  1 10.1 26.9 2

! G1 nu4
assign (segid A and resid 1 and name C3') (segid A and resid 1 and name C4')
 (segid A and resid 1 and name O4') (segid A and resid 1 and name C1')
  1 5.1 28.8 2


! G2 nu0
assign (segid A and resid 2 and name C4') (segid A and resid 2 and name O4')
 (segid A and resid 2 and name C1') (segid A and resid 2 and name C2')
  1 -18.6 19.9 2

! G2 nu1
assign (segid A and resid 2 and name O4') (segid A and resid 2 and name C1')
 (segid A and resid 2 and name C2') (segid A and resid 2 and name C3')
  1 30.0 8.5 2

! G2 nu2
assign (segid A and resid 2 and name C1') (segid A and resid 2 and name C2')
 (segid A and resid 2 and name C3') (segid A and resid 2 and name C4')
  1 -22.6 15.9 2

! G2 nu3
assign (segid A and resid 2 and name C2') (segid A and resid 2 and name C3')
 (segid A and resid 2 and name C4') (segid A and resid 2 and name O4')
  1 10.1 26.9 2

! G2 nu4
assign (segid A and resid 2 and name C3') (segid A and resid 2 and name C4')
 (segid A and resid 2 and name O4') (segid A and resid 2 and name C1')
  1 5.1 28.8 2


! C3 nu0
assign (segid A and resid 3 and name C4') (segid A and resid 3 and name O4')
 (segid A and resid 3 and name C1') (segid A and resid 3 and name C2')
  1 -18.6 19.9 2

! C3 nu1
assign (segid A and resid 3 and name O4') (segid A and resid 3 and name C1')
 (segid A and resid 3 and name C2') (segid A and resid 3 and name C3')
  1 30.0 8.5 2

! C3 nu2
assign (segid A and resid 3 and name C1') (segid A and resid 3 and name C2')
 (segid A and resid 3 and name C3') (segid A and resid 3 and name C4')
  1 -22.6 15.9 2

! C3 nu3
assign (segid A and resid 3 and name C2') (segid A and resid 3 and name C3')
 (segid A and resid 3 and name C4') (segid A and resid 3 and name O4')
  1 10.1 26.9 2

! C3 nu4
assign (segid A and resid 3 and name C3') (segid A and resid 3 and name C4')
 (segid A and resid 3 and name O4') (segid A and resid 3 and name C1')
  1 5.1 28.8 2


! A4 nu0
assign (segid A and resid 4 and name C4') (segid A and resid 4 and name O4')
 (segid A and resid 4 and name C1') (segid A and resid 4 and name C2')
  1 -18.6 19.9 2

! A4 nu1
assign (segid A and resid 4 and name O4') (segid A and resid 4 and name C1')
 (segid A and resid 4 and name C2') (segid A and resid 4 and name C3')
  1 30.0 8.5 2

! A4 nu2
assign (segid A and resid 4 and name C1') (segid A and resid 4 and name C2')
 (segid A and resid 4 and name C3') (segid A and resid 4 and name C4')
  1 -22.6 15.9 2

! A4 nu3
assign (segid A and resid 4 and name C2') (segid A and resid 4 and name C3')
 (segid A and resid 4 and name C4') (segid A and resid 4 and name O4')
  1 10.1 26.9 2

! A4 nu4
assign (segid A and resid 4 and name C3') (segid A and resid 4 and name C4')
 (segid A and resid 4 and name O4') (segid A and resid 4 and name C1')
  1 5.1 28.8 2


! A5 nu0
assign (segid A and resid 5 and name C4') (segid A and resid 5 and name O4')
 (segid A and resid 5 and name C1') (segid A and resid 5 and name C2')
  1 -18.6 19.9 2

! A5 nu1
assign (segid A and resid 5 and name O4') (segid A and resid 5 and name C1')
 (segid A and resid 5 and name C2') (segid A and resid 5 and name C3')
  1 30.0 8.5 2

! A5 nu2
assign (segid A and resid 5 and name C1') (segid A and resid 5 and name C2')
 (segid A and resid 5 and name C3') (segid A and resid 5 and name C4')
  1 -22.6 15.9 2

! A5 nu3
assign (segid A and resid 5 and name C2') (segid A and resid 5 and name C3')
 (segid A and resid 5 and name C4') (segid A and resid 5 and name O4')
  1 10.1 26.9 2

! A5 nu4
assign (segid A and resid 5 and name C3') (segid A and resid 5 and name C4')
 (segid A and resid 5 and name O4') (segid A and resid 5 and name C1')
  1 5.1 28.8 2


! A6 nu0
assign (segid A and resid 6 and name C4') (segid A and resid 6 and name O4')
 (segid A and resid 6 and name C1') (segid A and resid 6 and name C2')
  1 -18.6 19.9 2

! A6 nu1
assign (segid A and resid 6 and name O4') (segid A and resid 6 and name C1')
 (segid A and resid 6 and name C2') (segid A and resid 6 and name C3')
  1 30.0 8.5 2

! A6 nu2
assign (segid A and resid 6 and name C1') (segid A and resid 6 and name C2')
 (segid A and resid 6 and name C3') (segid A and resid 6 and name C4')
  1 -22.6 15.9 2

! A6 nu3
assign (segid A and resid 6 and name C2') (segid A and resid 6 and name C3')
 (segid A and resid 6 and name C4') (segid A and resid 6 and name O4')
  1 10.1 26.9 2

! A6 nu4
assign (segid A and resid 6 and name C3') (segid A and resid 6 and name C4')
 (segid A and resid 6 and name O4') (segid A and resid 6 and name C1')
  1 5.1 28.8 2


! A7 nu0
assign (segid A and resid 7 and name C4') (segid A and resid 7 and name O4')
 (segid A and resid 7 and name C1') (segid A and resid 7 and name C2')
  1 -18.6 19.9 2

! A7 nu1
assign (segid A and resid 7 and name O4') (segid A and resid 7 and name C1')
 (segid A and resid 7 and name C2') (segid A and resid 7 and name C3')
  1 30.0 8.5 2

! A7 nu2
assign (segid A and resid 7 and name C1') (segid A and resid 7 and name C2')
 (segid A and resid 7 and name C3') (segid A and resid 7 and name C4')
  1 -22.6 15.9 2

! A7 nu3
assign (segid A and resid 7 and name C2') (segid A and resid 7 and name C3')
 (segid A and resid 7 and name C4') (segid A and resid 7 and name O4')
  1 10.1 26.9 2

! A7 nu4
assign (segid A and resid 7 and name C3') (segid A and resid 7 and name C4')
 (segid A and resid 7 and name O4') (segid A and resid 7 and name C1')
  1 5.1 28.8 2


! C8 nu0
assign (segid A and resid 8 and name C4') (segid A and resid 8 and name O4')
 (segid A and resid 8 and name C1') (segid A and resid 8 and name C2')
  1 -18.6 19.9 2

! C8 nu1
assign (segid A and resid 8 and name O4') (segid A and resid 8 and name C1')
 (segid A and resid 8 and name C2') (segid A and resid 8 and name C3')
  1 30.0 8.5 2

! C8 nu2
assign (segid A and resid 8 and name C1') (segid A and resid 8 and name C2')
 (segid A and resid 8 and name C3') (segid A and resid 8 and name C4')
  1 -22.6 15.9 2

! C8 nu3
assign (segid A and resid 8 and name C2') (segid A and resid 8 and name C3')
 (segid A and resid 8 and name C4') (segid A and resid 8 and name O4')
  1 10.1 26.9 2

! C8 nu4
assign (segid A and resid 8 and name C3') (segid A and resid 8 and name C4')
 (segid A and resid 8 and name O4') (segid A and resid 8 and name C1')
  1 5.1 28.8 2


! G9 nu0
assign (segid A and resid 9 and name C4') (segid A and resid 9 and name O4')
 (segid A and resid 9 and name C1') (segid A and resid 9 and name C2')
  1 -18.6 19.9 2

! G9 nu1
assign (segid A and resid 9 and name O4') (segid A and resid 9 and name C1')
 (segid A and resid 9 and name C2') (segid A and resid 9 and name C3')
  1 30.0 8.5 2

! G9 nu2
assign (segid A and resid 9 and name C1') (segid A and resid 9 and name C2')
 (segid A and resid 9 and name C3') (segid A and resid 9 and name C4')
  1 -22.6 15.9 2

! G9 nu3
assign (segid A and resid 9 and name C2') (segid A and resid 9 and name C3')
 (segid A and resid 9 and name C4') (segid A and resid 9 and name O4')
  1 10.1 26.9 2

! G9 nu4
assign (segid A and resid 9 and name C3') (segid A and resid 9 and name C4')
 (segid A and resid 9 and name O4') (segid A and resid 9 and name C1')
  1 5.1 28.8 2


! G10 nu0
assign (segid A and resid 10 and name C4') (segid A and resid 10 and name O4')
 (segid A and resid 10 and name C1') (segid A and resid 10 and name C2')
  1 -18.6 19.9 2

! G10 nu1
assign (segid A and resid 10 and name O4') (segid A and resid 10 and name C1')
 (segid A and resid 10 and name C2') (segid A and resid 10 and name C3')
  1 30.0 8.5 2

! G10 nu2
assign (segid A and resid 10 and name C1') (segid A and resid 10 and name C2')
 (segid A and resid 10 and name C3') (segid A and resid 10 and name C4')
  1 -22.6 15.9 2

! G10 nu3
assign (segid A and resid 10 and name C2') (segid A and resid 10 and name C3')
 (segid A and resid 10 and name C4') (segid A and resid 10 and name O4')
  1 10.1 26.9 2

! G10 nu4
assign (segid A and resid 10 and name C3') (segid A and resid 10 and name C4')
 (segid A and resid 10 and name O4') (segid A and resid 10 and name C1')
  1 5.1 28.8 2


!XPLOR input file
!Output from pucker2nu.pl t4a_puckers_real_loose
!Sequence position nu Pmin Pmax
!C11 38.5    100 200
!C12 38.5    100 200
!G13 38.5    100 200
!T14 38.5    100 200
!T15 38.5    100 200
!T16 38.5    100 200
!T17 38.5    100 200
!G18 38.5    100 200
!C19 38.5 100 200
!C20 38.5 100 200
!

! C11 nu0
assign (segid B and segid B and resid 11 and name C4') (segid B and resid 11 and name O4')
 (segid B and resid 11 and name C1') (segid B and resid 11 and name C2')
  1 -18.6 19.9 2

! C11 nu1
assign (segid B and resid 11 and name O4') (segid B and resid 11 and name C1')
 (segid B and resid 11 and name C2') (segid B and resid 11 and name C3')
  1 30.0 8.5 2

! C11 nu2
assign (segid B and resid 11 and name C1') (segid B and resid 11 and name C2')
 (segid B and resid 11 and name C3') (segid B and resid 11 and name C4')
  1 -22.6 15.9 2

! C11 nu3
assign (segid B and resid 11 and name C2') (segid B and resid 11 and name C3')
 (segid B and resid 11 and name C4') (segid B and resid 11 and name O4')
  1 10.1 26.9 2

! C11 nu4
assign (segid B and resid 11 and name C3') (segid B and resid 11 and name C4')
 (segid B and resid 11 and name O4') (segid B and resid 11 and name C1')
  1 5.1 28.8 2


! C12 nu0
assign (segid B and resid 12 and name C4') (segid B and resid 12 and name O4')
 (segid B and resid 12 and name C1') (segid B and resid 12 and name C2')
  1 -18.6 19.9 2

! C12 nu1
assign (segid B and resid 12 and name O4') (segid B and resid 12 and name C1')
 (segid B and resid 12 and name C2') (segid B and resid 12 and name C3')
  1 30.0 8.5 2

! C12 nu2
assign (segid B and resid 12 and name C1') (segid B and resid 12 and name C2')
 (segid B and resid 12 and name C3') (segid B and resid 12 and name C4')
  1 -22.6 15.9 2

! C12 nu3
assign (segid B and resid 12 and name C2') (segid B and resid 12 and name C3')
 (segid B and resid 12 and name C4') (segid B and resid 12 and name O4')
  1 10.1 26.9 2

! C12 nu4
assign (segid B and resid 12 and name C3') (segid B and resid 12 and name C4')
 (segid B and resid 12 and name O4') (segid B and resid 12 and name C1')
  1 5.1 28.8 2


! G13 nu0
assign (segid B and resid 13 and name C4') (segid B and resid 13 and name O4')
 (segid B and resid 13 and name C1') (segid B and resid 13 and name C2')
  1 -18.6 19.9 2

! G13 nu1
assign (segid B and resid 13 and name O4') (segid B and resid 13 and name C1')
 (segid B and resid 13 and name C2') (segid B and resid 13 and name C3')
  1 30.0 8.5 2

! G13 nu2
assign (segid B and resid 13 and name C1') (segid B and resid 13 and name C2')
 (segid B and resid 13 and name C3') (segid B and resid 13 and name C4')
  1 -22.6 15.9 2

! G13 nu3
assign (segid B and resid 13 and name C2') (segid B and resid 13 and name C3')
 (segid B and resid 13 and name C4') (segid B and resid 13 and name O4')
  1 10.1 26.9 2

! G13 nu4
assign (segid B and resid 13 and name C3') (segid B and resid 13 and name C4')
 (segid B and resid 13 and name O4') (segid B and resid 13 and name C1')
  1 5.1 28.8 2


! T14 nu0
assign (segid B and resid 14 and name C4') (segid B and resid 14 and name O4')
 (segid B and resid 14 and name C1') (segid B and resid 14 and name C2')
  1 -18.6 19.9 2

! T14 nu1
assign (segid B and resid 14 and name O4') (segid B and resid 14 and name C1')
 (segid B and resid 14 and name C2') (segid B and resid 14 and name C3')
  1 30.0 8.5 2

! T14 nu2
assign (segid B and resid 14 and name C1') (segid B and resid 14 and name C2')
 (segid B and resid 14 and name C3') (segid B and resid 14 and name C4')
  1 -22.6 15.9 2

! T14 nu3
assign (segid B and resid 14 and name C2') (segid B and resid 14 and name C3')
 (segid B and resid 14 and name C4') (segid B and resid 14 and name O4')
  1 10.1 26.9 2

! T14 nu4
assign (segid B and resid 14 and name C3') (segid B and resid 14 and name C4')
 (segid B and resid 14 and name O4') (segid B and resid 14 and name C1')
  1 5.1 28.8 2


! T15 nu0
assign (segid B and resid 15 and name C4') (segid B and resid 15 and name O4')
 (segid B and resid 15 and name C1') (segid B and resid 15 and name C2')
  1 -18.6 19.9 2

! T15 nu1
assign (segid B and resid 15 and name O4') (segid B and resid 15 and name C1')
 (segid B and resid 15 and name C2') (segid B and resid 15 and name C3')
  1 30.0 8.5 2

! T15 nu2
assign (segid B and resid 15 and name C1') (segid B and resid 15 and name C2')
 (segid B and resid 15 and name C3') (segid B and resid 15 and name C4')
  1 -22.6 15.9 2

! T15 nu3
assign (segid B and resid 15 and name C2') (segid B and resid 15 and name C3')
 (segid B and resid 15 and name C4') (segid B and resid 15 and name O4')
  1 10.1 26.9 2

! T15 nu4
assign (segid B and resid 15 and name C3') (segid B and resid 15 and name C4')
 (segid B and resid 15 and name O4') (segid B and resid 15 and name C1')
  1 5.1 28.8 2


! T16 nu0
assign (segid B and resid 16 and name C4') (segid B and resid 16 and name O4')
 (segid B and resid 16 and name C1') (segid B and resid 16 and name C2')
  1 -18.6 19.9 2

! T16 nu1
assign (segid B and resid 16 and name O4') (segid B and resid 16 and name C1')
 (segid B and resid 16 and name C2') (segid B and resid 16 and name C3')
  1 30.0 8.5 2

! T16 nu2
assign (segid B and resid 16 and name C1') (segid B and resid 16 and name C2')
 (segid B and resid 16 and name C3') (segid B and resid 16 and name C4')
  1 -22.6 15.9 2

! T16 nu3
assign (segid B and resid 16 and name C2') (segid B and resid 16 and name C3')
 (segid B and resid 16 and name C4') (segid B and resid 16 and name O4')
  1 10.1 26.9 2

! T16 nu4
assign (segid B and resid 16 and name C3') (segid B and resid 16 and name C4')
 (segid B and resid 16 and name O4') (segid B and resid 16 and name C1')
  1 5.1 28.8 2


! T17 nu0
assign (segid B and resid 17 and name C4') (segid B and resid 17 and name O4')
 (segid B and resid 17 and name C1') (segid B and resid 17 and name C2')
  1 -18.6 19.9 2

! T17 nu1
assign (segid B and resid 17 and name O4') (segid B and resid 17 and name C1')
 (segid B and resid 17 and name C2') (segid B and resid 17 and name C3')
  1 30.0 8.5 2

! T17 nu2
assign (segid B and resid 17 and name C1') (segid B and resid 17 and name C2')
 (segid B and resid 17 and name C3') (segid B and resid 17 and name C4')
  1 -22.6 15.9 2

! T17 nu3
assign (segid B and resid 17 and name C2') (segid B and resid 17 and name C3')
 (segid B and resid 17 and name C4') (segid B and resid 17 and name O4')
  1 10.1 26.9 2

! T17 nu4
assign (segid B and resid 17 and name C3') (segid B and resid 17 and name C4')
 (segid B and resid 17 and name O4') (segid B and resid 17 and name C1')
  1 5.1 28.8 2


! G18 nu0
assign (segid B and resid 18 and name C4') (segid B and resid 18 and name O4')
 (segid B and resid 18 and name C1') (segid B and resid 18 and name C2')
  1 -18.6 19.9 2

! G18 nu1
assign (segid B and resid 18 and name O4') (segid B and resid 18 and name C1')
 (segid B and resid 18 and name C2') (segid B and resid 18 and name C3')
  1 30.0 8.5 2

! G18 nu2
assign (segid B and resid 18 and name C1') (segid B and resid 18 and name C2')
 (segid B and resid 18 and name C3') (segid B and resid 18 and name C4')
  1 -22.6 15.9 2

! G18 nu3
assign (segid B and resid 18 and name C2') (segid B and resid 18 and name C3')
 (segid B and resid 18 and name C4') (segid B and resid 18 and name O4')
  1 10.1 26.9 2

! G18 nu4
assign (segid B and resid 18 and name C3') (segid B and resid 18 and name C4')
 (segid B and resid 18 and name O4') (segid B and resid 18 and name C1')
  1 5.1 28.8 2


! C19 nu0
assign (segid B and resid 19 and name C4') (segid B and resid 19 and name O4')
 (segid B and resid 19 and name C1') (segid B and resid 19 and name C2')
  1 -18.6 19.9 2

! C19 nu1
assign (segid B and resid 19 and name O4') (segid B and resid 19 and name C1')
 (segid B and resid 19 and name C2') (segid B and resid 19 and name C3')
  1 30.0 8.5 2

! C19 nu2
assign (segid B and resid 19 and name C1') (segid B and resid 19 and name C2')
 (segid B and resid 19 and name C3') (segid B and resid 19 and name C4')
  1 -22.6 15.9 2

! C19 nu3
assign (segid B and resid 19 and name C2') (segid B and resid 19 and name C3')
 (segid B and resid 19 and name C4') (segid B and resid 19 and name O4')
  1 10.1 26.9 2

! C19 nu4
assign (segid B and resid 19 and name C3') (segid B and resid 19 and name C4')
 (segid B and resid 19 and name O4') (segid B and resid 19 and name C1')
  1 5.1 28.8 2


! C20 nu0
assign (segid B and resid 20 and name C4') (segid B and resid 20 and name O4')
 (segid B and resid 20 and name C1') (segid B and resid 20 and name C2')
  1 -18.6 19.9 2

! C20 nu1
assign (segid B and resid 20 and name O4') (segid B and resid 20 and name C1')
 (segid B and resid 20 and name C2') (segid B and resid 20 and name C3')
  1 30.0 8.5 2

! C20 nu2
assign (segid B and resid 20 and name C1') (segid B and resid 20 and name C2')
 (segid B and resid 20 and name C3') (segid B and resid 20 and name C4')
  1 -22.6 15.9 2

! C20 nu3
assign (segid B and resid 20 and name C2') (segid B and resid 20 and name C3')
 (segid B and resid 20 and name C4') (segid B and resid 20 and name O4')
  1 10.1 26.9 2

! C20 nu4
assign (segid B and resid 20 and name C3') (segid B and resid 20 and name C4')
 (segid B and resid 20 and name O4') (segid B and resid 20 and name C1')
  1 5.1 28.8 2


!-------------------------------------------------
! Torsion angle zeta B-DNA values
! defined: C3'-O3'-P(n+1)-O5'(n+1)
!-------------------------------------------------
! all artificial

!--------------------------------------------------------------------------
! Torsional angle alpha B-DNA values
! defined: O3'(n-1)-P-O5'-C5'
!
! Artificial restraints like in Tjandra et al., JACS, 122, 6190-6200 (2000)
!
! alpha = -60 +- 30
!--------------------------------------------------------------------------
! G2 of segment: A
assign (segid A and resid 1 and name O3') (segid A and resid 2 and name P  ) 
       (segid A and resid 2 and name O5') (segid A and resid 2 and name C5') 
       1 -60  30  2

! C3 of segment: A
assign (segid A and resid 2 and name O3') (segid A and resid 3 and name P  ) 
       (segid A and resid 3 and name O5') (segid A and resid 3 and name C5') 
       1 -60  30  2

! A4 of segment: A
assign (segid A and resid 3 and name O3') (segid A and resid 4 and name P  ) 
       (segid A and resid 4 and name O5') (segid A and resid 4 and name C5') 
       1 -60  30  2

! A5 of segment: A
assign (segid A and resid 4 and name O3') (segid A and resid 5 and name P  ) 
       (segid A and resid 5 and name O5') (segid A and resid 5 and name C5') 
       1 -60  30  2

! A6 of segment: A
assign (segid A and resid 5 and name O3') (segid A and resid 6 and name P  ) 
       (segid A and resid 6 and name O5') (segid A and resid 6 and name C5') 
       1 -60  30  2

! A7 of segment: A
assign (segid A and resid 6 and name O3') (segid A and resid 7 and name P  ) 
       (segid A and resid 7 and name O5') (segid A and resid 7 and name C5') 
       1 -60  30  2

! C8 of segment: A
assign (segid A and resid 7 and name O3') (segid A and resid 8 and name P  ) 
       (segid A and resid 8 and name O5') (segid A and resid 8 and name C5') 
       1 -60  30  2

! G9 of segment: A
assign (segid A and resid 8 and name O3') (segid A and resid 9 and name P  ) 
       (segid A and resid 9 and name O5') (segid A and resid 9 and name C5') 
       1 -60  30  2

! G10 of segment: A
assign (segid A and resid 9 and name O3') (segid A and resid 10 and name P  ) 
       (segid A and resid 10 and name O5') (segid A and resid 10 and name C5') 
       1 -60  30  2

! C12 of segment: B
assign (segid B and resid 11 and name O3') (segid B and resid 12 and name P  ) 
       (segid B and resid 12 and name O5') (segid B and resid 12 and name C5') 
       1 -60  30  2
 
! G13 of segment: B
assign (segid B and resid 12 and name O3') (segid B and resid 13 and name P  ) 
       (segid B and resid 13 and name O5') (segid B and resid 13 and name C5') 
       1 -60  30  2

! T14 of segment: B
assign (segid B and resid 13 and name O3') (segid B and resid 14 and name P  ) 
       (segid B and resid 14 and name O5') (segid B and resid 14 and name C5') 
       1 -60  30  2

! T15 of segment: B
assign (segid B and resid 14 and name O3') (segid B and resid 15 and name P  ) 
       (segid B and resid 15 and name O5') (segid B and resid 15 and name C5') 
       1 -60  30  2

! T16 of segment: B
assign (segid B and resid 15 and name O3') (segid B and resid 16 and name P  ) 
       (segid B and resid 16 and name O5') (segid B and resid 16 and name C5') 
       1 -60  30  2

! T17 of segment: B
assign (segid B and resid 16 and name O3') (segid B and resid 17 and name P  ) 
       (segid B and resid 17 and name O5') (segid B and resid 17 and name C5') 
       1 -60  30  2

! G18 of segment: B
assign (segid B and resid 17 and name O3') (segid B and resid 18 and name P  ) 
       (segid B and resid 18 and name O5') (segid B and resid 18 and name C5') 
       1 -60  30  2

! C19 of segment: B
assign (segid B and resid 18 and name O3') (segid B and resid 19 and name P  ) 
       (segid B and resid 19 and name O5') (segid B and resid 19 and name C5') 
       1 -60  30  2

! C20 of segment: B
assign (segid B and resid 19 and name O3') (segid B and resid 20 and name P  ) 
       (segid B and resid 20 and name O5') (segid B and resid 20 and name C5') 
       1 -60  30  2

!------------------------------------------------
! Torsion angle beta
! defined: P-O5'-C5'-C4'
!
! beta = 180 +- 30
!------------------------------------------------
! G1 of segment: A
!assign (segid a and resid 1 and name P  ) (segid a and resid 1 and name O5') 
!       (segid a and resid 1 and name C5') (segid a and resid 1 and name C4') 
!       1 180  30  2

! G2 of segment: A
assign (segid a and resid 2 and name P  ) (segid a and resid 2 and name O5') 
       (segid a and resid 2 and name C5') (segid a and resid 2 and name C4') 
       1 180  30  2
 
 ! C3 of segment: A
assign (segid a and resid 3 and name P  ) (segid a and resid 3 and name O5') 
       (segid a and resid 3 and name C5') (segid a and resid 3 and name C4') 
       1 180  30  2

! A4 of segment: A
assign (segid a and resid 4 and name P  ) (segid a and resid 4 and name O5') 
       (segid a and resid 4 and name C5') (segid a and resid 4 and name C4') 
       1 180  30  2

! A5 of segment: A
assign (segid a and resid 5 and name P  ) (segid a and resid 5 and name O5') 
       (segid a and resid 5 and name C5') (segid a and resid 5 and name C4') 
       1 180  30  2

! A6 of segment: A
assign (segid a and resid 6 and name P  ) (segid a and resid 6 and name O5') 
       (segid a and resid 6 and name C5') (segid a and resid 6 and name C4') 
       1 180  30  2

! A7 of segment: A
assign (segid a and resid 7 and name P  ) (segid a and resid 7 and name O5') 
       (segid a and resid 7 and name C5') (segid a and resid 7 and name C4') 
       1 180  30  2

! C8 of segment: A
assign (segid a and resid 8 and name P  ) (segid a and resid 8 and name O5') 
       (segid a and resid 8 and name C5') (segid a and resid 8 and name C4') 
       1 180  30  2

! G9 of segment: A
assign (segid a and resid 9 and name P  ) (segid a and resid 9 and name O5') 
       (segid a and resid 9 and name C5') (segid a and resid 9 and name C4') 
       1 180  30  2

! G10 of segment: A
assign (segid a and resid 10 and name P  ) (segid a and resid 10 and name O5') 
       (segid a and resid 10 and name C5') (segid a and resid 10 and name C4') 
       1 180  30  2

! C11 of segment: B
!assign (segid b and resid 11 and name P  ) (segid b and resid 11 and name O5') 
!       (segid b and resid 11 and name C5') (segid b and resid 11 and name C4') 
!       1 180  30  2

! C12 of segment: B
assign (segid b and resid 12 and name P  ) (segid b and resid 12 and name O5') 
       (segid b and resid 12 and name C5') (segid b and resid 12 and name C4') 
       1 180  30  2

! G13 of segment: B
assign (segid b and resid 13 and name P  ) (segid b and resid 13 and name O5') 
       (segid b and resid 13 and name C5') (segid b and resid 13 and name C4') 
       1 180  30  2

! T14 of segment: B
assign (segid b and resid 14 and name P  ) (segid b and resid 14 and name O5') 
       (segid b and resid 14 and name C5') (segid b and resid 14 and name C4') 
       1 180  30  2

! T15 of segment: B
assign (segid b and resid 15 and name P  ) (segid b and resid 15 and name O5') 
       (segid b and resid 15 and name C5') (segid b and resid 15 and name C4') 
       1 180  30  2

! T16 of segment: B
assign (segid b and resid 16 and name P  ) (segid b and resid 16 and name O5') 
       (segid b and resid 16 and name C5') (segid b and resid 16 and name C4') 
       1 180  30  2

! T17 of segment: B
assign (segid b and resid 17 and name P  ) (segid b and resid 17 and name O5') 
       (segid b and resid 17 and name C5') (segid b and resid 17 and name C4') 
       1 180  30  2

! G18 of segment: B
assign (segid b and resid 18 and name P  ) (segid b and resid 18 and name O5') 
       (segid b and resid 18 and name C5') (segid b and resid 18 and name C4') 
       1 180  30  2

! C19 of segment: B
assign (segid b and resid 19 and name P  ) (segid b and resid 19 and name O5') 
       (segid b and resid 19 and name C5') (segid b and resid 19 and name C4') 
       1 180  30  2

! C20 of segment: B
assign (segid b and resid 20 and name P  ) (segid b and resid 20 and name O5') 
       (segid b and resid 20 and name C5') (segid b and resid 20 and name C4') 
       1 180  30  2
      
!-------------------------------------------------
! Torsion angle zeta B-DNA values
! defined: C3'-O3'-P(n+1)-O5'(n+1)
!
! zeta = -90 +- 30
!-------------------------------------------------
! G1 of segment: A
assign (segid A and resid 1 and name C3') (segid A and resid 1 and name O3') 
       (segid A and resid 2 and name P  ) (segid A and resid 2 and name O5') 
       1 -90  30  2

! G2 of segment: A
assign (segid A and resid 2 and name C3') (segid A and resid 2 and name O3') 
       (segid A and resid 3 and name P  ) (segid A and resid 3 and name O5') 
       1 -90  30  2

! C3 of segment: A
assign (segid A and resid 3 and name C3') (segid A and resid 3 and name O3') 
       (segid A and resid 4 and name P  ) (segid A and resid 4 and name O5') 
       1 -90  30  2

! A4 of segment: A
assign (segid A and resid 4 and name C3') (segid A and resid 4 and name O3') 
       (segid A and resid 5 and name P  ) (segid A and resid 5 and name O5') 
       1 -90  30  2

! A5 of segment: A
assign (segid A and resid 5 and name C3') (segid A and resid 5 and name O3') 
       (segid A and resid 6 and name P  ) (segid A and resid 6 and name O5') 
       1 -90  30  2

! A6 of segment: A
assign (segid A and resid 6 and name C3') (segid A and resid 6 and name O3') 
       (segid A and resid 7 and name P  ) (segid A and resid 7 and name O5') 
       1 -90  30  2

! A7 of segment: A
assign (segid A and resid 7 and name C3') (segid A and resid 7 and name O3') 
       (segid A and resid 8 and name P  ) (segid A and resid 8 and name O5') 
       1 -90  30  2

! C8 of segment: A
assign (segid A and resid 8 and name C3') (segid A and resid 8 and name O3') 
       (segid A and resid 9 and name P  ) (segid A and resid 9 and name O5') 
       1 -90  30  2

! G9 of segment: A
assign (segid A and resid 9 and name C3') (segid A and resid 9 and name O3') 
       (segid A and resid 10 and name P  ) (segid A and resid 10 and name O5') 
       1 -90  30  2

! C11 of segment: B
assign (segid B and resid 11 and name C3') (segid B and resid 11 and name O3') 
       (segid B and resid 12 and name P  ) (segid B and resid 12 and name O5') 
       1 -90  30  2

! C12 of segment: B
assign (segid B and resid 12 and name C3') (segid B and resid 12 and name O3') 
       (segid B and resid 13 and name P  ) (segid B and resid 13 and name O5') 
       1 -90  30  2

! G13 of segment: B
assign (segid B and resid 13 and name C3') (segid B and resid 13 and name O3') 
       (segid B and resid 14 and name P  ) (segid B and resid 14 and name O5') 
       1 -90  30  2

! T14 of segment: B
assign (segid B and resid 14 and name C3') (segid B and resid 14 and name O3') 
       (segid B and resid 15 and name P  ) (segid B and resid 15 and name O5') 
       1 -90  30  2

! T15 of segment: B
assign (segid B and resid 15 and name C3') (segid B and resid 15 and name O3') 
       (segid B and resid 16 and name P  ) (segid B and resid 16 and name O5') 
       1 -90  30  2

! T16 of segment: B
assign (segid B and resid 16 and name C3') (segid B and resid 16 and name O3') 
       (segid B and resid 17 and name P  ) (segid B and resid 17 and name O5') 
       1 -90  30  2

! T17 of segment: B
assign (segid B and resid 17 and name C3') (segid B and resid 17 and name O3') 
       (segid B and resid 18 and name P  ) (segid B and resid 18 and name O5') 
       1 -90  30  2

! G18 of segment: B
assign (segid B and resid 18 and name C3') (segid B and resid 18 and name O3') 
       (segid B and resid 19 and name P  ) (segid B and resid 19 and name O5') 
       1 -90  30  2

! C19 of segment: B
assign (segid B and resid 19 and name C3') (segid B and resid 19 and name O3') 
       (segid B and resid 20 and name P  ) (segid B and resid 20 and name O5') 
       1 -90  30  2

! CH dipolar couplings for square well refinement

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 1 and name C1' )
       ( segid A and resid 1 and name H1' )
       19.91 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 2 and name C1' )
       ( segid A and resid 2 and name H1' )
       35.60 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 3 and name C1' )
       ( segid A and resid 3 and name H1' )
       19.19 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 4 and name C1' )
       ( segid A and resid 4 and name H1' )
       23.17 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 5 and name C1' )
       ( segid A and resid 5 and name H1' )
       22.42 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 6 and name C1' )
       ( segid A and resid 6 and name H1' )
       29.83 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 7 and name C1' )
       ( segid A and resid 7 and name H1' )
       37.47 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 8 and name C1' )
       ( segid A and resid 8 and name H1' )
       24.98 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 9 and name C1' )
       ( segid A and resid 9 and name H1' )
       12.36 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 10 and name C1' )
       ( segid A and resid 10 and name H1' )
       4.59 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 11 and name C1' )
       ( segid B and resid 11 and name H1' )
       -2.65 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 12 and name C1' )
       ( segid B and resid 12 and name H1' )
       28.89 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 13 and name C1' )
       ( segid B and resid 13 and name H1' )
       28.27 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 14 and name C1' )
       ( segid B and resid 14 and name H1' )
       18.39 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 15 and name C1' )
       ( segid B and resid 15 and name H1' )
       26.50 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 16 and name C1' )
       ( segid B and resid 16 and name H1' )
       34.77 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 17 and name C1' )
       ( segid B and resid 17 and name H1' )
       23.86 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 18 and name C1' )
       ( segid B and resid 18 and name H1' )
       36.90 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 19 and name C1' )
       ( segid B and resid 19 and name H1' )
       13.44 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 20 and name C1' )
       ( segid B and resid 20 and name H1' )
       13.62 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 4 and name C2 )
       ( segid A and resid 4 and name H2 )
       16.93 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 5 and name C2 )
       ( segid A and resid 5 and name H2 )
       31.80 2.58
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 6 and name C2 )
       ( segid A and resid 6 and name H2 )
       38.25 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 7 and name C2 )
       ( segid A and resid 7 and name H2 )
       39.51 2.00
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 1 and name C3' )
       ( segid A and resid 1 and name H3' )
       17.32 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 2 and name C3' )
       ( segid A and resid 2 and name H3' )
       24.95 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 3 and name C3' )
       ( segid A and resid 3 and name H3' )
       15.01 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 4 and name C3' )
       ( segid A and resid 4 and name H3' )
       11.31 2.05

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 5 and name C3' )
       ( segid A and resid 5 and name H3' )
       30.88 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 6 and name C3' )
       ( segid A and resid 6 and name H3' )
       27.65 3.48

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 7 and name C3' )
       ( segid A and resid 7 and name H3' )
       32.78 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 8 and name C3' )
       ( segid A and resid 8 and name H3' )
       22.74 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 9 and name C3' )
       ( segid A and resid 9 and name H3' )
       18.82 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 10 and name C3' )
       ( segid A and resid 10 and name H3' )
       18.45 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 11 and name C3' )
       ( segid B and resid 11 and name H3' )
       -7.64 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 12 and name C3' )
       ( segid B and resid 12 and name H3' )
       22.17 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 13 and name C3' )
       ( segid B and resid 13 and name H3' )
       21.41 2.35

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 14 and name C3' )
       ( segid B and resid 14 and name H3' )
       27.07 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 15 and name C3' )
       ( segid B and resid 15 and name H3' )
       30.02 2.24

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 16 and name C3' )
       ( segid B and resid 16 and name H3' )
       43.08 2.84

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 17 and name C3' )
       ( segid B and resid 17 and name H3' )
       33.50 2.00

!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( segid B and resid 18 and name C3' )
!       ( segid B and resid 18 and name H3' )
!       25.50 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 19 and name C3' )
       ( segid B and resid 19 and name H3' )
       19.63 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 20 and name C3' )
       ( segid B and resid 20 and name H3' )
       13.39 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 1 and name C4' )
       ( segid A and resid 1 and name H4' )
       3.44 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 2 and name C4' )
       ( segid A and resid 2 and name H4' )
       8.44 2.23

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 3 and name C4' )
       ( segid A and resid 3 and name H4' )
       10.31 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 4 and name C4' )
       ( segid A and resid 4 and name H4' )
       5.35 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 5 and name C4' )
       ( segid A and resid 5 and name H4' )
       28.19 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 6 and name C4' )
       ( segid A and resid 6 and name H4' )
       2.17 2.81

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 7 and name C4' )
       ( segid A and resid 7 and name H4' )
       2.99 2.29

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 8 and name C4' )
       ( segid A and resid 8 and name H4' )
       22.05 4.12

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 9 and name C4' )
       ( segid A and resid 9 and name H4' )
       28.76 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 10 and name C4' )
       ( segid A and resid 10 and name H4' )
       15.47 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 11 and name C4' )
       ( segid B and resid 11 and name H4' )
       -11.81 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 12 and name C4' )
       ( segid B and resid 12 and name H4' )
       3.36 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 13 and name C4' )
       ( segid B and resid 13 and name H4' )
       4.20 2.46

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 14 and name C4' )
       ( segid B and resid 14 and name H4' )
       -0.12 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 15 and name C4' )
       ( segid B and resid 15 and name H4' )
       1.42 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 16 and name C4' )
       ( segid B and resid 16 and name H4' )
       5.27 2.62

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 17 and name C4' )
       ( segid B and resid 17 and name H4' )
       21.13 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 18 and name C4' )
       ( segid B and resid 18 and name H4' )
       6.96 2.48

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 19 and name C4' )
       ( segid B and resid 19 and name H4' )
       26.29 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 20 and name C4' )
       ( segid B and resid 20 and name H4' )
       21.07 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 3 and name C5 )
       ( segid A and resid 3 and name H5 )
       36.25 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 8 and name C5 )
       ( segid A and resid 8 and name H5 )
       36.77 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 11 and name C5 )
       ( segid B and resid 11 and name H5 )
       23.59 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 12 and name C5 )
       ( segid B and resid 12 and name H5 )
       24.23 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 19 and name C5 )
       ( segid B and resid 19 and name H5 )
       32.12 2.00

!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( segid B and resid 20 and name C5 )
!       ( segid B and resid 20 and name H5 )
!      36.63 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 3 and name C6 )
       ( segid A and resid 3 and name H6 )
       31.57 2.22

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 8 and name C6 )
       ( segid A and resid 8 and name H6 )
       16.02 3.23

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 11 and name C6 )
       ( segid B and resid 11 and name H6 )
       39.53 2.22

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 12 and name C6 )
       ( segid B and resid 12 and name H6 )
       28.97 2.94

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 14 and name C6 )
       ( segid B and resid 14 and name H6 )
       31.20 2.99


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 15 and name C6 )
       ( segid B and resid 15 and name H6 )
       40.02 2.03

!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( segid B and resid 16 and name C6 )
!       ( segid B and resid 16 and name H6 )
!       48.81 2.48

!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( segid B and resid 17 and name C6 )
!       ( segid B and resid 17 and name H6 )
!       14.53 2.38

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 19 and name C6 )
       ( segid B and resid 19 and name H6 )
       28.18 2.00

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 20 and name C6 )
       ( segid B and resid 20 and name H6 )
       28.44 2.42

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 1 and name C8 )
       ( segid A and resid 1 and name H8 )
       41.98 2.16

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 2 and name C8 )
       ( segid A and resid 2 and name H8 )
       35.38 2.82

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 4 and name C8 )
       ( segid A and resid 4 and name H8 )
       26.44 3.05

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 5 and name C8 )
       ( segid A and resid 5 and name H8 )
       39.03 2.95

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 6 and name C8 )
       ( segid A and resid 6 and name H8 )
       45.13 2.01

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 7 and name C8 )
       ( segid A and resid 7 and name H8 )
       32.39 3.00


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 9 and name C8 )
       ( segid A and resid 9 and name H8 )
       28.72 3.37

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid A and resid 10 and name C8 )
       ( segid A and resid 10 and name H8 )
       29.13 3.28

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( segid B and resid 13 and name C8 )
       ( segid B and resid 13 and name H8 )
       26.66 3.44

!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( segid B and resid 18 and name C8 )
!       ( segid B and resid 18 and name H8 )
!       31.86 2.00

! BASE PLANARITY RESTRINT FILE
! hereby set to all aromatic heteroatoms of each base to be planar

! GUA 1
group
selection=((segid A and resid 1 and name N1) or
    (segid A and resid 1 and name H1) or 
           (segid A and resid 1 and name C2) or
    (segid A and resid 1 and name N3) or
    (segid A and resid 1 and name C4) or
    (segid A and resid 1 and name C5) or
    (segid A and resid 1 and name C6) or
    (segid A and resid 1 and name N7) or
    (segid A and resid 1 and name C8) or
    (segid A and resid 1 and name H8) or
    (segid A and resid 1 and name N9) or
    (segid A and resid 1 and name N2) or
    (segid A and resid 1 and name O6) or
    (segid A and resid 1 and name H21) or
    (segid A and resid 1 and name H22))
weight=$pscale end

! GUA 2
group
selection=((segid A and resid 2 and name N1) or
    (segid A and resid 2 and name H1) or 
           (segid A and resid 2 and name C2) or
    (segid A and resid 2 and name N3) or
    (segid A and resid 2 and name C4) or
    (segid A and resid 2 and name C5) or
    (segid A and resid 2 and name C6) or
    (segid A and resid 2 and name N7) or
    (segid A and resid 2 and name C8) or
    (segid A and resid 2 and name H8) or
    (segid A and resid 2 and name N9) or
    (segid A and resid 2 and name N2) or
    (segid A and resid 2 and name O6) or
    (segid A and resid 2 and name H21) or
    (segid A and resid 2 and name H22))
weight=$pscale end

  
! CYT 3
group
selection=((segid A and resid 3 and name N1) or
    (segid A and resid 3 and name C2) or
    (segid A and resid 3 and name N3) or
    (segid A and resid 3 and name C4) or
    (segid A and resid 3 and name C5) or
    (segid A and resid 3 and name H5) or
    (segid A and resid 3 and name C6) or
    (segid A and resid 3 and name H6) or 
           (segid A and resid 3 and name N4) or
    (segid A and resid 3 and name O2) or
    (segid A and resid 3 and name H41) or
    (segid A and resid 3 and name H42))
weight=$pscale end

! ADE 4
group
selection=((segid A and resid 4 and name N1) or
    (segid A and resid 4 and name C2) or
    (segid A and resid 4 and name H2) or
    (segid A and resid 4 and name N3) or
    (segid A and resid 4 and name C4) or
    (segid A and resid 4 and name C5) or
    (segid A and resid 4 and name C6) or
    (segid A and resid 4 and name N7) or
    (segid A and resid 4 and name C8) or
    (segid A and resid 4 and name H8) or
    (segid A and resid 4 and name N9) or
    (segid A and resid 4 and name N6) or
    (segid A and resid 4 and name H61) or
    (segid A and resid 4 and name H62))
    
weight=$pscale end

! ADE 5
group
selection=((segid A and resid 5 and name N1) or
    (segid A and resid 5 and name C2) or
    (segid A and resid 5 and name H2) or
    (segid A and resid 5 and name N3) or
    (segid A and resid 5 and name C4) or
    (segid A and resid 5 and name C5) or
    (segid A and resid 5 and name C6) or
    (segid A and resid 5 and name N7) or
    (segid A and resid 5 and name C8) or
    (segid A and resid 5 and name H8) or
    (segid A and resid 5 and name N9) or
    (segid A and resid 5 and name N6) or
    (segid A and resid 5 and name H61) or
    (segid A and resid 5 and name H62))
    
weight=$pscale end

! ADE 6
group
selection=((segid A and resid 6 and name N1) or
    (segid A and resid 6 and name C2) or
    (segid A and resid 6 and name H2) or
    (segid A and resid 6 and name N3) or
    (segid A and resid 6 and name C4) or
    (segid A and resid 6 and name C5) or
    (segid A and resid 6 and name C6) or
    (segid A and resid 6 and name N7) or
    (segid A and resid 6 and name C8) or
    (segid A and resid 6 and name H8) or
    (segid A and resid 6 and name N9) or
    (segid A and resid 6 and name N6) or
    (segid A and resid 6 and name H61) or
    (segid A and resid 6 and name H62))
    
weight=$pscale end

! ADE 7
group
selection=((segid A and resid 7 and name N1) or
    (segid A and resid 7 and name C2) or
    (segid A and resid 7 and name H2) or
    (segid A and resid 7 and name N3) or
    (segid A and resid 7 and name C4) or
    (segid A and resid 7 and name C5) or
    (segid A and resid 7 and name C6) or
    (segid A and resid 7 and name N7) or
    (segid A and resid 7 and name C8) or
    (segid A and resid 7 and name H8) or
    (segid A and resid 7 and name N9) or
    (segid A and resid 7 and name N6) or
    (segid A and resid 7 and name H61) or
    (segid A and resid 7 and name H62))
    
weight=$pscale end

! CYT 8
group
selection=((segid A and resid 8 and name N1) or
    (segid A and resid 8 and name C2) or
    (segid A and resid 8 and name N3) or
    (segid A and resid 8 and name C4) or
    (segid A and resid 8 and name C5) or
    (segid A and resid 8 and name H5) or
    (segid A and resid 8 and name H6) or 
           (segid A and resid 8 and name C6) or
    (segid A and resid 8 and name N4) or
    (segid A and resid 8 and name O2) or
    (segid A and resid 8 and name H41) or
    (segid A and resid 8 and name H42))
weight=$pscale end

! GUA 9
group
selection=((segid A and resid 9 and name N1) or
    (segid A and resid 9 and name H1) or 
           (segid A and resid 9 and name C2) or
    (segid A and resid 9 and name N3) or
    (segid A and resid 9 and name C4) or
    (segid A and resid 9 and name C5) or
    (segid A and resid 9 and name C6) or
    (segid A and resid 9 and name N7) or
    (segid A and resid 9 and name C8) or
    (segid A and resid 9 and name H8) or
    (segid A and resid 9 and name N9) or
    (segid A and resid 9 and name N2) or
    (segid A and resid 9 and name O6) or
    (segid A and resid 9 and name H21) or
    (segid A and resid 9 and name H22))
weight=$pscale end

! GUA 10
group
selection=((segid A and resid 10 and name N1) or
    (segid A and resid 10 and name H1) or 
           (segid A and resid 10 and name C2) or
    (segid A and resid 10 and name N3) or
    (segid A and resid 10 and name C4) or
    (segid A and resid 10 and name C5) or
    (segid A and resid 10 and name C6) or
    (segid A and resid 10 and name N7) or
    (segid A and resid 10 and name C8) or
    (segid A and resid 10 and name H8) or
    (segid A and resid 10 and name N9) or
    (segid A and resid 10 and name N2) or
    (segid A and resid 10 and name O6) or
    (segid A and resid 10 and name H21) or
    (segid A and resid 10 and name H22))
weight=$pscale end

! CYT 11
group
selection=((segid B and resid 11 and name N1) or
    (segid B and resid 11 and name C2) or
    (segid B and resid 11 and name N3) or
    (segid B and resid 11 and name C4) or
    (segid B and resid 11 and name C5) or
    (segid B and resid 11 and name H5) or
    (segid B and resid 11 and name H6) or 
           (segid B and resid 11 and name C6) or
    (segid B and resid 11 and name N4) or
    (segid B and resid 11 and name O2) or
    (segid B and resid 11 and name H41) or
    (segid B and resid 11 and name H42))
weight=$pscale end

! CYT 12
group
selection=((segid B and resid 12 and name N1) or
    (segid B and resid 12 and name C2) or
    (segid B and resid 12 and name N3) or
    (segid B and resid 12 and name C4) or
    (segid B and resid 12 and name C5) or
    (segid B and resid 12 and name H5) or
    (segid B and resid 12 and name C6) or
    (segid B and resid 12 and name H6) or 
           (segid B and resid 12 and name N4) or
    (segid B and resid 12 and name O2) or
    (segid B and resid 12 and name H41) or
    (segid B and resid 12 and name H42))
weight=$pscale end

! GUA 13
group
selection=((segid B and resid 13 and name N1) or
    (segid B and resid 13 and name H1) or 
           (segid B and resid 13 and name C2) or
    (segid B and resid 13 and name N3) or
    (segid B and resid 13 and name C4) or
    (segid B and resid 13 and name C5) or
    (segid B and resid 13 and name C6) or
    (segid B and resid 13 and name N7) or
    (segid B and resid 13 and name C8) or
    (segid B and resid 13 and name H8) or
    (segid B and resid 13 and name N9) or
    (segid B and resid 13 and name N2) or
    (segid B and resid 13 and name O6) or
    (segid B and resid 13 and name H21) or
    (segid B and resid 13 and name H22))
weight=$pscale end

! THY 14
group
selection=((segid B and resid 14 and name N1) or
    (segid B and resid 14 and name C2) or
    (segid B and resid 14 and name N3) or
    (segid B and resid 14 and name H3) or 
           (segid B and resid 14 and name C4) or
    (segid B and resid 14 and name C5) or
    (segid B and resid 14 and name C6) or
    (segid B and resid 14 and name H6) or
    (segid B and resid 14 and name O2) or
    (segid B and resid 14 and name O4) or
    (segid B and resid 14 and name C7))
weight=$pscale end

! THY 15
group
selection=((segid B and resid 15 and name N1) or
    (segid B and resid 15 and name C2) or
    (segid B and resid 15 and name N3) or
    (segid B and resid 15 and name H3) or 
           (segid B and resid 15 and name C4) or
    (segid B and resid 15 and name C5) or
    (segid B and resid 15 and name C6) or
    (segid B and resid 15 and name H6) or
    (segid B and resid 15 and name O2) or
    (segid B and resid 15 and name O4) or
    (segid B and resid 15 and name C7))
weight=$pscale end

! THY 16
group
selection=((segid B and resid 16 and name N1) or
    (segid B and resid 16 and name C2) or
    (segid B and resid 16 and name N3) or
    (segid B and resid 16 and name H3) or 
           (segid B and resid 16 and name C4) or
    (segid B and resid 16 and name C5) or
    (segid B and resid 16 and name C6) or
    (segid B and resid 16 and name H6) or
    (segid B and resid 16 and name O2) or
    (segid B and resid 16 and name O4) or
    (segid B and resid 16 and name C7))
weight=$pscale end

! THY 15
group
selection=((segid B and resid 17 and name N1) or
    (segid B and resid 17 and name C2) or
    (segid B and resid 17 and name N3) or
    (segid B and resid 17 and name H3) or 
           (segid B and resid 17 and name C4) or
    (segid B and resid 17 and name C5) or
    (segid B and resid 17 and name C6) or
    (segid B and resid 17 and name H6) or
    (segid B and resid 17 and name O2) or
    (segid B and resid 17 and name O4) or
    (segid B and resid 17 and name C7))
weight=$pscale end

! GUA 18
group
selection=((segid B and resid 18 and name N1) or
    (segid B and resid 18 and name H1) or 
           (segid B and resid 18 and name C2) or
    (segid B and resid 18 and name N3) or
    (segid B and resid 18 and name C4) or
    (segid B and resid 18 and name C5) or
    (segid B and resid 18 and name C6) or
    (segid B and resid 18 and name N7) or
    (segid B and resid 18 and name C8) or
    (segid B and resid 18 and name H8) or
    (segid B and resid 18 and name N9) or
    (segid B and resid 18 and name N2) or
    (segid B and resid 18 and name O6) or
    (segid B and resid 18 and name H21) or
    (segid B and resid 18 and name H22))
weight=$pscale end

! CYT 19
group
selection=((segid B and resid 19 and name N1) or
    (segid B and resid 19 and name C2) or
    (segid B and resid 19 and name N3) or
    (segid B and resid 19 and name C4) or
    (segid B and resid 19 and name C5) or
    (segid B and resid 19 and name H5) or
    (segid B and resid 19 and name C6) or
    (segid B and resid 19 and name H6) or 
           (segid B and resid 19 and name N4) or
    (segid B and resid 19 and name O2) or
    (segid B and resid 19 and name H41) or
    (segid B and resid 19 and name H42))
weight=$pscale end

! CYT 20
group
selection=((segid B and resid 20 and name N1) or
    (segid B and resid 20 and name C2) or
    (segid B and resid 20 and name N3) or
    (segid B and resid 20 and name C4) or
    (segid B and resid 20 and name C5) or
    (segid B and resid 20 and name H5) or
    (segid B and resid 20 and name C6) or
    (segid B and resid 20 and name H6) or 
           (segid B and resid 20 and name N4) or
    (segid B and resid 20 and name O2) or
    (segid B and resid 20 and name H41) or
    (segid B and resid 20 and name H42))
weight=$pscale end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   3.050  15.516   6.860
    2   2H5*    G   1          2H5*        G   1   2.645  17.237   6.943
    3    H4*    G   1           H4*        G   1   0.374  16.558   7.808
    4    H3*    G   1           H3*        G   1   1.077  14.270   8.503
    5    H1*    G   1           H1*        G   1  -0.994  15.069   5.444
    6    H8     G   1           H8         G   1   2.481  14.244   4.234
    7    H1     G   1           H1         G   1  -2.011  14.077  -0.344
    8   1H2     G   1          1H2         G   1  -3.352  14.349   0.038
    9   2H2     G   1          2H2         G   1  -4.192  14.746   1.496
   10    H5T    G   1           H5T        G   1   3.699  16.493   8.888
   11   1H2*    G   1          1H2*        G   1   1.548  13.486   6.238
   12   2H2*    G   1          2H2*        G   1  -0.091  12.857   6.398
   13   1H5*    G   2          1H5*        G   2  -3.571  14.567   7.093
   14   2H5*    G   2          2H5*        G   2  -4.356  14.265   8.652
   15    H4*    G   2           H4*        G   2  -5.824  13.319   7.353
   16    H3*    G   2           H3*        G   2  -4.630  11.340   8.739
   17    H1*    G   2           H1*        G   2  -5.344  10.955   5.047
   18    H8     G   2           H8         G   2  -1.584  11.519   5.431
   19    H1     G   2           H1         G   2  -3.669  10.818  -0.609
   20   1H2     G   2          1H2         G   2  -6.581  10.862   0.742
   21   2H2     G   2          2H2         G   2  -5.529  10.747  -0.697
   22   1H2*    G   2          1H2*        G   2  -3.027  10.983   7.026
   23   2H2*    G   2          2H2*        G   2  -4.053   9.621   6.719
   24   1H5*    C   3          1H5*        C   3  -8.128  10.686   5.886
   25   2H5*    C   3          2H5*        C   3  -9.358   9.610   6.559
   26    H4*    C   3           H4*        C   3  -9.352   9.378   4.236
   27    H3*    C   3           H3*        C   3  -8.856   7.156   5.782
   28    H1*    C   3           H1*        C   3  -7.548   8.134   2.354
   29   1H4     C   3          1H4         C   3  -1.034   7.876   3.124
   30   2H4     C   3          2H4         C   3  -1.574   7.675   1.414
   31    H5     C   3           H5         C   3  -2.843   8.056   4.858
   32    H6     C   3           H6         C   3  -5.253   8.068   5.138
   33   1H2*    C   3          1H2*        C   3  -6.794   6.716   5.015
   34   2H2*    C   3          2H2*        C   3  -7.557   5.938   3.670
   35   1H5*    A   4          1H5*        A   4  -9.513   6.855   1.334
   36   2H5*    A   4          2H5*        A   4 -11.073   6.066   1.067
   37    H4*    A   4           H4*        A   4  -9.948   5.489  -0.761
   38    H3*    A   4           H3*        A   4 -10.456   3.169   0.755
   39    H1*    A   4           H1*        A   4  -7.401   3.649  -1.069
   40    H8     A   4           H8         A   4  -6.436   3.905   2.594
   41   1H6     A   4          1H6         A   4  -1.366   4.685   2.000
   42   2H6     A   4          2H6         A   4  -0.651   4.900   0.382
   43    H2     A   4           H2         A   4  -3.071   4.778  -2.831
   44   1H2*    A   4          1H2*        A   4  -8.328   3.334   1.625
   45   2H2*    A   4          2H2*        A   4  -8.122   2.063   0.482
   46   1H5*    A   5          1H5*        A   5  -8.893   2.721  -3.826
   47   2H5*    A   5          2H5*        A   5  -9.864   1.389  -4.486
   48    H4*    A   5           H4*        A   5  -7.798   1.054  -5.434
   49    H3*    A   5           H3*        A   5  -8.654  -1.034  -4.259
   50    H1*    A   5           H1*        A   5  -5.169   0.157  -3.865
   51    H8     A   5           H8         A   5  -6.689   0.597  -0.454
   52   1H6     A   5          1H6         A   5  -2.147   1.561   1.932
   53   2H6     A   5          2H6         A   5  -0.682   1.838   0.951
   54    H2     A   5           H2         A   5  -0.929   1.707  -3.042
   55   1H2*    A   5          1H2*        A   5  -7.567  -0.497  -2.155
   56   2H2*    A   5          2H2*        A   5  -6.416  -1.656  -2.763
   57   1H5*    A   6          1H5*        A   6  -4.394  -0.453  -6.059
   58   2H5*    A   6          2H5*        A   6  -4.675  -1.427  -7.508
   59    H4*    A   6           H4*        A   6  -2.460  -1.289  -7.499
   60    H3*    A   6           H3*        A   6  -3.265  -3.764  -7.377
   61    H1*    A   6           H1*        A   6  -0.436  -2.704  -4.946
   62    H8     A   6           H8         A   6  -3.917  -2.866  -3.176
   63   1H6     A   6          1H6         A   6  -2.043  -1.694   1.540
   64   2H6     A   6          2H6         A   6  -0.313  -1.268   1.709
   65    H2     A   6           H2         A   6   2.083  -1.223  -1.516
   66   1H2*    A   6          1H2*        A   6  -3.214  -3.856  -5.094
   67   2H2*    A   6          2H2*        A   6  -1.706  -4.655  -5.353
   68   1H5*    A   7          1H5*        A   7   1.193  -2.800  -8.488
   69   2H5*    A   7          2H5*        A   7   1.878  -3.868  -9.713
   70    H4*    A   7           H4*        A   7   3.418  -3.426  -7.919
   71    H3*    A   7           H3*        A   7   3.372  -5.750  -8.893
   72    H1*    A   7           H1*        A   7   3.691  -4.743  -5.339
   73    H8     A   7           H8         A   7   0.324  -6.105  -5.894
   74   1H6     A   7          1H6         A   7  -1.300  -5.891  -0.753
   75   2H6     A   7          2H6         A   7  -0.100  -5.196   0.392
   76    H2     A   7           H2         A   7   3.449  -3.941  -0.830
   77   1H2*    A   7          1H2*        A   7   2.008  -6.586  -7.092
   78   2H2*    A   7          2H2*        A   7   3.557  -6.959  -6.374
   79   1H5*    C   8          1H5*        C   8   6.590  -4.198  -5.732
   80   2H5*    C   8          2H5*        C   8   8.230  -4.757  -6.125
   81    H4*    C   8           H4*        C   8   8.044  -4.771  -3.648
   82    H3*    C   8           H3*        C   8   9.043  -6.871  -4.750
   83    H1*    C   8           H1*        C   8   6.602  -6.360  -1.924
   84   1H4     C   8          1H4         C   8   0.713  -9.177  -2.848
   85   2H4     C   8          2H4         C   8   1.264  -8.980  -1.132
   86    H5     C   8           H5         C   8   2.357  -8.499  -4.561
   87    H6     C   8           H6         C   8   4.676  -7.566  -4.796
   88   1H2*    C   8          1H2*        C   8   7.024  -8.137  -4.439
   89   2H2*    C   8          2H2*        C   8   7.828  -8.404  -2.931
   90   1H5*    G   9          1H5*        G   9   8.767  -6.548   0.138
   91   2H5*    G   9          2H5*        G   9  10.503  -6.599   0.495
   92    H4*    G   9           H4*        G   9   9.717  -7.667   2.282
   93    H3*    G   9           H3*        G   9  11.102  -9.118   0.819
   94    H1*    G   9           H1*        G   9   7.822 -10.297   2.382
   95    H8     G   9           H8         G   9   7.407 -10.094  -1.447
   96    H1     G   9           H1         G   9   2.093 -11.689   1.780
   97   1H2     G   9          1H2         G   9   3.961 -11.101   4.418
   98   2H2     G   9          2H2         G   9   2.398 -11.582   3.698
   99   1H2*    G   9          1H2*        G   9   9.280 -10.168  -0.340
  100   2H2*    G   9          2H2*        G   9   9.433 -11.482   0.781
  101   1H5*    G  10          1H5*        G  10   9.284 -10.389   4.890
  102   2H5*    G  10          2H5*        G  10  10.559 -11.156   5.834
  103    H4*    G  10           H4*        G  10   8.660 -11.673   6.792
  104    H3*    G  10           H3*        G  10  10.108 -14.018   6.043
  105    H1*    G  10           H1*        G  10   6.498 -13.960   5.505
  106    H8     G  10           H8         G  10   8.293 -12.941   2.341
  107    H1     G  10           H1         G  10   2.331 -15.276   1.487
  108   1H2     G  10          1H2         G  10   2.195 -15.211   4.703
  109   2H2     G  10          2H2         G  10   1.464 -15.551   3.110
  110    H3T    G  10           H3T        G  10   8.603 -15.188   7.254
  111   1H2*    G  10          1H2*        G  10   9.092 -14.065   4.034
  112   2H2*    G  10          2H2*        G  10   8.249 -15.383   4.816
  113   1H5*    C  11          1H5*        C  11  -5.227 -15.312  -1.294
  114   2H5*    C  11          2H5*        C  11  -5.458 -17.057  -1.388
  115    H4*    C  11           H4*        C  11  -5.780 -17.077   1.058
  116    H3*    C  11           H3*        C  11  -6.191 -14.546   1.198
  117    H1*    C  11           H1*        C  11  -2.848 -15.989   2.197
  118   1H4     C  11          1H4         C  11   1.509 -14.765  -2.530
  119   2H4     C  11          2H4         C  11   2.326 -15.020  -0.953
  120    H5     C  11           H5         C  11  -0.794 -14.713  -2.633
  121    H6     C  11           H6         C  11  -2.904 -14.887  -1.204
  122    H5T    C  11           H5T        C  11  -7.574 -16.761  -0.515
  123   1H2*    C  11          1H2*        C  11  -4.214 -13.936   0.444
  124   2H2*    C  11          2H2*        C  11  -3.816 -13.865   2.197
  125   1H5*    C  12          1H5*        C  12  -3.638 -15.097   5.193
  126   2H5*    C  12          2H5*        C  12  -4.640 -14.367   6.453
  127    H4*    C  12           H4*        C  12  -2.599 -13.586   6.799
  128    H3*    C  12           H3*        C  12  -4.277 -11.444   6.447
  129    H1*    C  12           H1*        C  12  -0.915 -11.369   4.979
  130   1H4     C  12          1H4         C  12  -1.080 -11.718  -1.522
  131   2H4     C  12          2H4         C  12   0.552 -12.003  -0.808
  132    H5     C  12           H5         C  12  -2.931 -11.558   0.055
  133    H6     C  12           H6         C  12  -3.537 -11.639   2.316
  134   1H2*    C  12          1H2*        C  12  -3.805 -11.377   4.303
  135   2H2*    C  12          2H2*        C  12  -2.839 -10.013   4.875
  136   1H5*    G  13          1H5*        G  13   0.051 -10.862   8.961
  137   2H5*    G  13          2H5*        G  13  -0.198  -9.502  10.055
  138    H4*    G  13           H4*        G  13   2.120  -9.700   9.183
  139    H3*    G  13           H3*        G  13   1.248  -7.376   9.803
  140    H1*    G  13           H1*        G  13   2.940  -8.309   6.562
  141    H8     G  13           H8         G  13  -0.703  -8.385   5.824
  142    H1     G  13           H1         G  13   3.248  -7.972   0.741
  143   1H2     G  13          1H2         G  13   5.482  -7.493   3.143
  144   2H2     G  13          2H2         G  13   5.108  -7.635   1.401
  145   1H2*    G  13          1H2*        G  13   0.391  -6.981   7.569
  146   2H2*    G  13          2H2*        G  13   1.918  -6.110   7.461
  147   1H5*    T  14          1H5*        T  14   5.181  -7.584   7.006
  148   2H5*    T  14          2H5*        T  14   6.370  -6.947   8.150
  149    H4*    T  14           H4*        T  14   7.190  -6.391   6.220
  150    H3*    T  14           H3*        T  14   6.464  -4.222   7.715
  151   1H2*    T  14          1H2*        T  14   4.623  -3.849   6.650
  152   2H2*    T  14          2H2*        T  14   5.558  -2.699   5.740
  153    H1*    T  14           H1*        T  14   6.035  -4.246   4.008
  154    H3     T  14           H3         T  14   2.375  -4.528   1.187
  155   1H5M    T  14          1H5M        T  14  -0.086  -5.717   5.232
  156   2H5M    T  14          2H5M        T  14   0.696  -4.558   6.316
  157   3H5M    T  14          3H5M        T  14  -0.368  -3.982   5.025
  158    H6     T  14           H6         T  14   2.909  -4.637   5.940
  159   1H5*    T  15          1H5*        T  15   8.884  -3.837   3.795
  160   2H5*    T  15          2H5*        T  15  10.127  -2.585   3.826
  161    H4*    T  15           H4*        T  15   9.290  -2.914   1.673
  162    H3*    T  15           H3*        T  15   9.631  -0.346   2.461
  163   1H2*    T  15          1H2*        T  15   7.365  -0.203   3.239
  164   2H2*    T  15          2H2*        T  15   7.230   0.645   1.722
  165    H1*    T  15           H1*        T  15   6.662  -1.544   0.594
  166    H3     T  15           H3         T  15   2.186  -1.343   0.815
  167   1H5M    T  15          1H5M        T  15   2.726  -2.040   5.610
  168   2H5M    T  15          2H5M        T  15   2.429  -0.311   5.392
  169   3H5M    T  15          3H5M        T  15   4.050  -0.874   5.847
  170    H6     T  15           H6         T  15   5.594  -1.327   4.176
  171   1H5*    T  16          1H5*        T  16   7.163  -1.188  -1.498
  172   2H5*    T  16          2H5*        T  16   8.400  -0.639  -2.618
  173    H4*    T  16           H4*        T  16   6.612  -0.524  -3.801
  174    H3*    T  16           H3*        T  16   7.727   1.707  -3.768
  175   1H2*    T  16          1H2*        T  16   6.096   2.522  -2.192
  176   2H2*    T  16          2H2*        T  16   5.363   3.243  -3.563
  177    H1*    T  16           H1*        T  16   4.031   1.302  -3.817
  178    H3     T  16           H3         T  16   0.611   2.110  -0.868
  179   1H5M    T  16          1H5M        T  16   4.484   2.981   2.152
  180   2H5M    T  16          2H5M        T  16   3.603   1.549   2.730
  181   3H5M    T  16          3H5M        T  16   5.162   1.364   1.907
  182    H6     T  16           H6         T  16   5.345   1.387  -0.555
  183   1H5*    T  17          1H5*        T  17   3.991   1.108  -6.612
  184   2H5*    T  17          2H5*        T  17   4.202   1.875  -8.195
  185    H4*    T  17           H4*        T  17   2.037   2.198  -7.410
  186    H3*    T  17           H3*        T  17   3.673   4.629  -7.572
  187   1H2*    T  17          1H2*        T  17   2.739   5.589  -5.897
  188   2H2*    T  17          2H2*        T  17   1.191   5.690  -6.622
  189    H1*    T  17           H1*        T  17   0.644   3.336  -5.663
  190    H3     T  17           H3         T  17  -0.490   4.857  -1.553
  191   1H5M    T  17          1H5M        T  17   4.285   4.562  -0.686
  192   2H5M    T  17          2H5M        T  17   4.870   5.280  -2.200
  193   3H5M    T  17          3H5M        T  17   4.057   6.296  -0.997
  194    H6     T  17           H6         T  17   3.596   4.580  -4.034
  195   1H5*    G  18          1H5*        G  18  -0.722   4.247  -7.912
  196   2H5*    G  18          2H5*        G  18  -1.222   4.625  -9.565
  197    H4*    G  18           H4*        G  18  -2.969   5.044  -8.354
  198    H3*    G  18           H3*        G  18  -2.011   7.300  -9.583
  199    H1*    G  18           H1*        G  18  -3.475   7.307  -6.180
  200    H8     G  18           H8         G  18   0.276   7.335  -5.706
  201    H1     G  18           H1         G  18  -3.406   7.882  -0.406
  202   1H2     G  18          1H2         G  18  -5.795   7.676  -2.615
  203   2H2     G  18          2H2         G  18  -5.270   7.841  -0.917
  204   1H2*    G  18          1H2*        G  18  -0.891   7.997  -7.663
  205   2H2*    G  18          2H2*        G  18  -2.232   9.076  -7.588
  206   1H5*    C  19          1H5*        C  19  -6.806   7.961  -7.941
  207   2H5*    C  19          2H5*        C  19  -7.594   9.047  -9.110
  208    H4*    C  19           H4*        C  19  -7.996  10.152  -6.911
  209    H3*    C  19           H3*        C  19  -6.216  11.602  -8.600
  210    H1*    C  19           H1*        C  19  -6.730  11.245  -4.931
  211   1H4     C  19          1H4         C  19  -0.426  10.591  -3.082
  212   2H4     C  19          2H4         C  19  -1.460  10.980  -1.669
  213    H5     C  19           H5         C  19  -1.345  10.281  -5.116
  214    H6     C  19           H6         C  19  -3.497  10.225  -6.415
  215   1H2*    C  19          1H2*        C  19  -4.834  12.050  -6.955
  216   2H2*    C  19          2H2*        C  19  -6.162  12.825  -6.147
  217   1H5*    C  20          1H5*        C  20  -9.014  13.969  -5.682
  218   2H5*    C  20          2H5*        C  20  -9.519  15.446  -6.515
  219    H4*    C  20           H4*        C  20  -8.828  16.107  -4.467
  220    H3*    C  20           H3*        C  20  -6.586  16.473  -6.321
  221    H1*    C  20           H1*        C  20  -6.759  16.299  -2.694
  222   1H4     C  20          1H4         C  20  -0.855  13.483  -3.713
  223   2H4     C  20          2H4         C  20  -1.049  13.796  -1.964
  224    H5     C  20           H5         C  20  -2.706  13.928  -5.278
  225    H6     C  20           H6         C  20  -4.854  14.674  -5.388
  226    H3T    C  20           H3T        C  20  -7.052  18.787  -6.082
  227   1H2*    C  20          1H2*        C  20  -4.993  16.872  -5.057
  228   2H2*    C  20          2H2*        C  20  -5.780  17.959  -4.022
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   1.810  17.801   6.480
    2   2H5*    G   1          2H5*        G   1   2.371  16.984   7.938
    3    H4*    G   1           H4*        G   1   0.157  16.600   7.734
    4    H3*    G   1           H3*        G   1   1.581  14.266   8.165
    5    H1*    G   1           H1*        G   1  -1.054  14.230   5.698
    6    H8     G   1           H8         G   1   2.038  14.649   3.572
    7    H1     G   1           H1         G   1  -3.426  13.816   0.285
    8   1H2     G   1          1H2         G   1  -4.790  14.032   3.224
    9   2H2     G   1          2H2         G   1  -4.936  13.820   1.455
   10    H5T    G   1           H5T        G   1   3.860  16.772   6.177
   11   1H2*    G   1          1H2*        G   1   1.881  14.006   5.785
   12   2H2*    G   1          2H2*        G   1   0.707  12.776   6.145
   13   1H5*    G   2          1H5*        G   2  -3.176  13.963   7.265
   14   2H5*    G   2          2H5*        G   2  -3.653  13.334   8.851
   15    H4*    G   2           H4*        G   2  -5.294  12.653   7.477
   16    H3*    G   2           H3*        G   2  -4.146  10.623   8.781
   17    H1*    G   2           H1*        G   2  -4.968  10.336   5.089
   18    H8     G   2           H8         G   2  -1.192  10.739   5.454
   19    H1     G   2           H1         G   2  -3.291  10.652  -0.599
   20   1H2     G   2          1H2         G   2  -4.646  10.584  -0.791
   21   2H2     G   2          2H2         G   2  -6.103  10.508   0.103
   22   1H2*    G   2          1H2*        G   2  -2.615  10.234   7.026
   23   2H2*    G   2          2H2*        G   2  -3.703   8.931   6.727
   24   1H5*    C   3          1H5*        C   3  -7.894  10.197   6.067
   25   2H5*    C   3          2H5*        C   3  -9.055   9.075   6.790
   26    H4*    C   3           H4*        C   3  -9.334   9.017   4.452
   27    H3*    C   3           H3*        C   3  -8.895   6.765   5.747
   28    H1*    C   3           H1*        C   3  -7.598   7.821   2.337
   29   1H4     C   3          1H4         C   3  -1.081   7.269   3.084
   30   2H4     C   3          2H4         C   3  -1.623   7.222   1.362
   31    H5     C   3           H5         C   3  -2.811   7.433   4.771
   32    H6     C   3           H6         C   3  -5.259   7.585   5.103
   33   1H2*    C   3          1H2*        C   3  -6.821   6.282   4.949
   34   2H2*    C   3          2H2*        C   3  -7.620   5.584   3.584
   35   1H5*    A   4          1H5*        A   4  -9.633   6.636   1.171
   36   2H5*    A   4          2H5*        A   4 -11.186   5.827   0.919
   37    H4*    A   4           H4*        A   4 -10.069   5.309  -0.954
   38    H3*    A   4           H3*        A   4 -10.594   2.953   0.456
   39    H1*    A   4           H1*        A   4  -7.519   3.476  -1.313
   40    H8     A   4           H8         A   4  -6.569   3.600   2.353
   41   1H6     A   4          1H6         A   4  -1.543   4.527   1.831
   42   2H6     A   4          2H6         A   4  -0.798   4.820   0.243
   43    H2     A   4           H2         A   4  -3.194   4.746  -3.019
   44   1H2*    A   4          1H2*        A   4  -8.462   3.084   1.363
   45   2H2*    A   4          2H2*        A   4  -8.250   1.848   0.179
   46   1H5*    A   5          1H5*        A   5  -8.894   2.714  -4.098
   47   2H5*    A   5          2H5*        A   5  -9.840   1.420  -4.854
   48    H4*    A   5           H4*        A   5  -7.776   1.103  -5.773
   49    H3*    A   5           H3*        A   5  -8.612  -1.011  -4.681
   50    H1*    A   5           H1*        A   5  -5.136   0.197  -4.207
   51    H8     A   5           H8         A   5  -6.708   0.496  -0.808
   52   1H6     A   5          1H6         A   5  -2.225   1.388   1.679
   53   2H6     A   5          2H6         A   5  -0.739   1.724   0.747
   54    H2     A   5           H2         A   5  -0.917   1.771  -3.258
   55   1H2*    A   5          1H2*        A   5  -7.549  -0.534  -2.553
   56   2H2*    A   5          2H2*        A   5  -6.375  -1.661  -3.178
   57   1H5*    A   6          1H5*        A   6  -4.247  -0.298  -6.346
   58   2H5*    A   6          2H5*        A   6  -4.485  -1.265  -7.807
   59    H4*    A   6           H4*        A   6  -2.276  -1.120  -7.727
   60    H3*    A   6           H3*        A   6  -3.090  -3.603  -7.649
   61    H1*    A   6           H1*        A   6  -0.325  -2.570  -5.142
   62    H8     A   6           H8         A   6  -3.811  -2.780  -3.429
   63   1H6     A   6          1H6         A   6  -1.902  -1.844   1.351
   64   2H6     A   6          2H6         A   6  -0.181  -1.395   1.519
   65    H2     A   6           H2         A   6   2.171  -1.114  -1.733
   66   1H2*    A   6          1H2*        A   6  -3.108  -3.704  -5.362
   67   2H2*    A   6          2H2*        A   6  -1.602  -4.513  -5.583
   68   1H5*    A   7          1H5*        A   7   1.445  -2.689  -8.586
   69   2H5*    A   7          2H5*        A   7   2.164  -3.803  -9.753
   70    H4*    A   7           H4*        A   7   3.663  -3.278  -7.918
   71    H3*    A   7           H3*        A   7   3.680  -5.574  -8.841
   72    H1*    A   7           H1*        A   7   3.794  -4.572  -5.292
   73    H8     A   7           H8         A   7   0.425  -5.887  -6.042
   74   1H6     A   7          1H6         A   7  -1.339  -5.782  -0.902
   75   2H6     A   7          2H6         A   7  -0.135  -5.110   0.252
   76    H2     A   7           H2         A   7   3.426  -3.853  -0.893
   77   1H2*    A   7          1H2*        A   7   2.198  -6.458  -7.079
   78   2H2*    A   7          2H2*        A   7   3.700  -6.811  -6.307
   79   1H5*    C   8          1H5*        C   8   6.975  -4.150  -5.537
   80   2H5*    C   8          2H5*        C   8   8.570  -4.839  -5.889
   81    H4*    C   8           H4*        C   8   8.285  -4.851  -3.468
   82    H3*    C   8           H3*        C   8   9.100  -7.112  -4.560
   83    H1*    C   8           H1*        C   8   6.688  -6.267  -1.766
   84   1H4     C   8          1H4         C   8   0.646  -8.764  -2.494
   85   2H4     C   8          2H4         C   8   1.232  -8.639  -0.793
   86    H5     C   8           H5         C   8   2.258  -8.121  -4.288
   87    H6     C   8           H6         C   8   4.599  -7.292  -4.568
   88   1H2*    C   8          1H2*        C   8   6.949  -8.169  -4.213
   89   2H2*    C   8          2H2*        C   8   7.710  -8.458  -2.697
   90   1H5*    G   9          1H5*        G   9   9.115  -6.761   0.317
   91   2H5*    G   9          2H5*        G   9  10.817  -7.131   0.636
   92    H4*    G   9           H4*        G   9   9.831  -7.955   2.441
   93    H3*    G   9           H3*        G   9  11.007 -10.171   1.154
   94    H1*    G   9           H1*        G   9   7.600 -10.353   2.696
   95    H8     G   9           H8         G   9   7.209 -10.017  -1.118
   96    H1     G   9           H1         G   9   1.910 -11.726   2.093
   97   1H2     G   9          1H2         G   9   3.844 -11.314   4.699
   98   2H2     G   9          2H2         G   9   2.251 -11.736   4.007
   99   1H2*    G   9          1H2*        G   9   9.071 -10.520   0.008
  100   2H2*    G   9          2H2*        G   9   9.081 -11.776   1.186
  101   1H5*    G  10          1H5*        G  10   8.861 -10.566   5.330
  102   2H5*    G  10          2H5*        G  10  10.059 -11.343   6.368
  103    H4*    G  10           H4*        G  10   8.072 -11.902   7.173
  104    H3*    G  10           H3*        G  10   9.583 -14.220   6.513
  105    H1*    G  10           H1*        G  10   6.065 -14.165   5.583
  106    H8     G  10           H8         G  10   8.151 -12.969   2.702
  107    H1     G  10           H1         G  10   2.401 -15.450   1.168
  108   1H2     G  10          1H2         G  10   1.543 -15.779   2.295
  109   2H2     G  10          2H2         G  10   1.666 -15.665   4.022
  110    H3T    G  10           H3T        G  10   7.954 -15.425   7.503
  111   1H2*    G  10          1H2*        G  10   8.786 -14.221   4.397
  112   2H2*    G  10          2H2*        G  10   7.871 -15.550   5.055
  113   1H5*    C  11          1H5*        C  11  -6.219 -16.351  -0.215
  114   2H5*    C  11          2H5*        C  11  -5.762 -17.941   0.399
  115    H4*    C  11           H4*        C  11  -5.154 -16.913   2.551
  116    H3*    C  11           H3*        C  11  -6.270 -14.373   1.570
  117    H1*    C  11           H1*        C  11  -2.935 -15.655   2.698
  118   1H4     C  11          1H4         C  11   1.258 -14.305  -2.107
  119   2H4     C  11          2H4         C  11   2.154 -14.597  -0.588
  120    H5     C  11           H5         C  11  -1.035 -14.230  -2.147
  121    H6     C  11           H6         C  11  -3.109 -14.418  -0.659
  122    H5T    C  11           H5T        C  11  -7.396 -17.607   2.081
  123   1H2*    C  11          1H2*        C  11  -4.371 -13.620   1.116
  124   2H2*    C  11          2H2*        C  11  -3.953 -13.618   2.855
  125   1H5*    C  12          1H5*        C  12  -4.239 -14.566   5.818
  126   2H5*    C  12          2H5*        C  12  -5.243 -13.633   6.936
  127    H4*    C  12           H4*        C  12  -3.069 -13.148   7.427
  128    H3*    C  12           H3*        C  12  -4.532 -10.951   7.056
  129    H1*    C  12           H1*        C  12  -1.220 -11.052   5.558
  130   1H4     C  12          1H4         C  12  -1.343 -11.298  -0.919
  131   2H4     C  12          2H4         C  12   0.291 -11.580  -0.215
  132    H5     C  12           H5         C  12  -3.176 -11.191   0.615
  133    H6     C  12           H6         C  12  -3.833 -11.322   2.907
  134   1H2*    C  12          1H2*        C  12  -4.062 -10.885   4.858
  135   2H2*    C  12          2H2*        C  12  -3.002  -9.590   5.387
  136   1H5*    G  13          1H5*        G  13   0.012 -10.682   9.275
  137   2H5*    G  13          2H5*        G  13  -0.064  -9.350  10.425
  138    H4*    G  13           H4*        G  13   2.192  -9.620   9.452
  139    H3*    G  13           H3*        G  13   1.492  -7.282  10.094
  140    H1*    G  13           H1*        G  13   2.924  -8.254   6.754
  141    H8     G  13           H8         G  13  -0.778  -8.140   6.247
  142    H1     G  13           H1         G  13   2.948  -8.038   0.970
  143   1H2     G  13          1H2         G  13   5.281  -7.759   3.211
  144   2H2     G  13          2H2         G  13   4.802  -7.865   1.494
  145   1H2*    G  13          1H2*        G  13   0.470  -6.882   7.914
  146   2H2*    G  13          2H2*        G  13   1.989  -6.037   7.687
  147   1H5*    T  14          1H5*        T  14   5.191  -7.655   6.837
  148   2H5*    T  14          2H5*        T  14   6.457  -7.098   7.936
  149    H4*    T  14           H4*        T  14   7.251  -6.505   6.021
  150    H3*    T  14           H3*        T  14   6.585  -4.308   7.512
  151   1H2*    T  14          1H2*        T  14   4.714  -3.941   6.483
  152   2H2*    T  14          2H2*        T  14   5.652  -2.801   5.560
  153    H1*    T  14           H1*        T  14   6.092  -4.349   3.835
  154    H3     T  14           H3         T  14   2.418  -4.560   1.042
  155   1H5M    T  14          1H5M        T  14   0.060  -3.763   5.339
  156   2H5M    T  14          2H5M        T  14  -0.364  -5.383   4.725
  157   3H5M    T  14          3H5M        T  14   0.737  -5.206   6.090
  158    H6     T  14           H6         T  14   2.980  -4.735   5.797
  159   1H5*    T  15          1H5*        T  15   8.932  -3.948   3.468
  160   2H5*    T  15          2H5*        T  15  10.186  -2.706   3.524
  161    H4*    T  15           H4*        T  15   9.337  -2.978   1.367
  162    H3*    T  15           H3*        T  15   9.700  -0.419   2.190
  163   1H2*    T  15          1H2*        T  15   7.450  -0.307   3.041
  164   2H2*    T  15          2H2*        T  15   7.275   0.594   1.554
  165    H1*    T  15           H1*        T  15   6.692  -1.562   0.374
  166    H3     T  15           H3         T  15   2.233  -1.362   0.677
  167   1H5M    T  15          1H5M        T  15   4.164  -1.006   5.699
  168   2H5M    T  15          2H5M        T  15   2.803  -2.128   5.457
  169   3H5M    T  15          3H5M        T  15   2.562  -0.388   5.272
  170    H6     T  15           H6         T  15   5.686  -1.424   3.986
  171   1H5*    T  16          1H5*        T  16   7.072  -0.976  -1.691
  172   2H5*    T  16          2H5*        T  16   8.325  -0.507  -2.826
  173    H4*    T  16           H4*        T  16   6.599  -0.243  -3.986
  174    H3*    T  16           H3*        T  16   7.715   2.018  -3.848
  175   1H2*    T  16          1H2*        T  16   6.069   2.733  -2.237
  176   2H2*    T  16          2H2*        T  16   5.349   3.536  -3.570
  177    H1*    T  16           H1*        T  16   4.012   1.594  -3.941
  178    H3     T  16           H3         T  16   0.560   2.155  -0.992
  179   1H5M    T  16          1H5M        T  16   5.097   1.269   1.772
  180   2H5M    T  16          2H5M        T  16   4.432   2.874   2.108
  181   3H5M    T  16          3H5M        T  16   3.534   1.426   2.602
  182    H6     T  16           H6         T  16   5.306   1.510  -0.668
  183   1H5*    T  17          1H5*        T  17   4.042   1.653  -6.871
  184   2H5*    T  17          2H5*        T  17   4.302   2.576  -8.356
  185    H4*    T  17           H4*        T  17   2.143   2.795  -7.565
  186    H3*    T  17           H3*        T  17   3.765   5.263  -7.440
  187   1H2*    T  17          1H2*        T  17   2.747   6.075  -5.736
  188   2H2*    T  17          2H2*        T  17   1.213   6.199  -6.503
  189    H1*    T  17           H1*        T  17   0.707   3.755  -5.768
  190    H3     T  17           H3         T  17  -0.584   4.938  -1.594
  191   1H5M    T  17          1H5M        T  17   4.647   5.981  -2.007
  192   2H5M    T  17          2H5M        T  17   3.821   6.075  -0.442
  193   3H5M    T  17          3H5M        T  17   4.433   4.514  -1.030
  194    H6     T  17           H6         T  17   3.583   4.902  -3.945
  195   1H5*    G  18          1H5*        G  18  -0.542   4.874  -8.181
  196   2H5*    G  18          2H5*        G  18  -0.931   5.464  -9.805
  197    H4*    G  18           H4*        G  18  -2.797   5.618  -8.623
  198    H3*    G  18           H3*        G  18  -1.955   8.044  -9.597
  199    H1*    G  18           H1*        G  18  -3.585   7.593  -6.290
  200    H8     G  18           H8         G  18   0.155   7.798  -5.656
  201    H1     G  18           H1         G  18  -3.700   7.716  -0.470
  202   1H2     G  18          1H2         G  18  -6.032   7.572  -2.785
  203   2H2     G  18          2H2         G  18  -5.583   7.622  -1.059
  204   1H2*    G  18          1H2*        G  18  -1.005   8.627  -7.547
  205   2H2*    G  18          2H2*        G  18  -2.455   9.564  -7.443
  206   1H5*    C  19          1H5*        C  19  -6.407   7.565  -7.869
  207   2H5*    C  19          2H5*        C  19  -7.597   8.410  -8.885
  208    H4*    C  19           H4*        C  19  -8.164   8.906  -6.545
  209    H3*    C  19           H3*        C  19  -7.416  10.984  -8.223
  210    H1*    C  19           H1*        C  19  -7.100  10.031  -4.508
  211   1H4     C  19          1H4         C  19  -0.782  11.090  -3.224
  212   2H4     C  19          2H4         C  19  -1.689  11.135  -1.687
  213    H5     C  19           H5         C  19  -1.888  10.841  -5.307
  214    H6     C  19           H6         C  19  -4.034  10.580  -6.388
  215   1H2*    C  19          1H2*        C  19  -6.002  11.927  -6.568
  216   2H2*    C  19          2H2*        C  19  -7.384  12.162  -5.625
  217   1H5*    C  20          1H5*        C  20 -10.144  11.458  -4.567
  218   2H5*    C  20          2H5*        C  20 -11.409  12.680  -4.733
  219    H4*    C  20           H4*        C  20 -10.522  13.016  -2.684
  220    H3*    C  20           H3*        C  20  -9.334  15.059  -4.434
  221    H1*    C  20           H1*        C  20  -8.320  13.455  -1.155
  222   1H4     C  20          1H4         C  20  -2.339  14.363  -3.905
  223   2H4     C  20          2H4         C  20  -2.188  14.094  -2.130
  224    H5     C  20           H5         C  20  -4.617  14.325  -4.927
  225    H6     C  20           H6         C  20  -6.778  14.057  -4.466
  226    H3T    C  20           H3T        C  20 -10.730  16.419  -3.128
  227   1H2*    C  20          1H2*        C  20  -7.776  15.687  -3.217
  228   2H2*    C  20          2H2*        C  20  -8.672  15.849  -1.787
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   2.969  17.324   3.889
    2   2H5*    G   1          2H5*        G   1   3.422  16.431   5.336
    3    H4*    G   1           H4*        G   1   1.096  16.474   5.320
    4    H3*    G   1           H3*        G   1   2.155  14.193   5.799
    5    H1*    G   1           H1*        G   1  -0.830  14.790   3.534
    6    H8     G   1           H8         G   1   2.266  14.106   1.502
    7    H1     G   1           H1         G   1  -2.989  14.279  -2.155
    8   1H2     G   1          1H2         G   1  -4.250  14.438  -1.497
    9   2H2     G   1          2H2         G   1  -4.833  14.616   0.120
   10    H5T    G   1           H5T        G   1   3.628  15.603   2.633
   11   1H2*    G   1          1H2*        G   1   1.949  13.423   3.566
   12   2H2*    G   1          2H2*        G   1   0.505  12.707   4.232
   13   1H5*    G   2          1H5*        G   2  -2.597  14.630   6.198
   14   2H5*    G   2          2H5*        G   2  -2.929  14.227   7.892
   15    H4*    G   2           H4*        G   2  -4.742  13.386   6.874
   16    H3*    G   2           H3*        G   2  -3.360  11.322   8.016
   17    H1*    G   2           H1*        G   2  -4.808  10.968   4.588
   18    H8     G   2           H8         G   2  -1.036  11.266   4.236
   19    H1     G   2           H1         G   2  -4.213  11.088  -1.336
   20   1H2     G   2          1H2         G   2  -6.849  11.143   0.533
   21   2H2     G   2          2H2         G   2  -6.067  11.095  -1.070
   22   1H2*    G   2          1H2*        G   2  -2.161  10.934   6.083
   23   2H2*    G   2          2H2*        G   2  -3.310   9.643   6.052
   24   1H5*    C   3          1H5*        C   3  -7.520  10.790   6.033
   25   2H5*    C   3          2H5*        C   3  -8.553   9.659   6.916
   26    H4*    C   3           H4*        C   3  -8.981   9.505   4.573
   27    H3*    C   3           H3*        C   3  -8.363   7.220   5.965
   28    H1*    C   3           H1*        C   3  -7.476   8.288   2.430
   29   1H4     C   3          1H4         C   3  -0.919   7.746   2.470
   30   2H4     C   3          2H4         C   3  -1.595   7.705   0.806
   31    H5     C   3           H5         C   3  -2.482   7.888   4.317
   32    H6     C   3           H6         C   3  -4.831   8.020   4.908
   33   1H2*    C   3          1H2*        C   3  -6.436   6.760   4.938
   34   2H2*    C   3          2H2*        C   3  -7.428   6.073   3.693
   35   1H5*    A   4          1H5*        A   4  -9.710   7.065   1.621
   36   2H5*    A   4          2H5*        A   4 -11.229   6.173   1.476
   37    H4*    A   4           H4*        A   4 -10.138   5.767  -0.485
   38    H3*    A   4           H3*        A   4 -10.647   3.369   0.887
   39    H1*    A   4           H1*        A   4  -7.591   3.905  -0.910
   40    H8     A   4           H8         A   4  -6.656   3.919   2.719
   41   1H6     A   4          1H6         A   4  -1.498   4.530   2.236
   42   2H6     A   4          2H6         A   4  -0.824   4.847   0.608
   43    H2     A   4           H2         A   4  -3.166   5.095  -2.547
   44   1H2*    A   4          1H2*        A   4  -8.523   3.513   1.761
   45   2H2*    A   4          2H2*        A   4  -8.322   2.281   0.571
   46   1H5*    A   5          1H5*        A   5  -8.976   3.270  -3.618
   47   2H5*    A   5          2H5*        A   5  -9.899   2.008  -4.452
   48    H4*    A   5           H4*        A   5  -7.801   1.758  -5.342
   49    H3*    A   5           H3*        A   5  -8.670  -0.426  -4.425
   50    H1*    A   5           H1*        A   5  -5.215   0.732  -3.774
   51    H8     A   5           H8         A   5  -6.894   0.858  -0.415
   52   1H6     A   5          1H6         A   5  -2.443   1.423   2.261
   53   2H6     A   5          2H6         A   5  -0.929   1.750   1.364
   54    H2     A   5           H2         A   5  -0.989   2.034  -2.613
   55   1H2*    A   5          1H2*        A   5  -7.673  -0.098  -2.242
   56   2H2*    A   5          2H2*        A   5  -6.485  -1.182  -2.915
   57   1H5*    A   6          1H5*        A   6  -4.172   0.459  -5.842
   58   2H5*    A   6          2H5*        A   6  -4.369  -0.416  -7.366
   59    H4*    A   6           H4*        A   6  -2.150  -0.318  -7.163
   60    H3*    A   6           H3*        A   6  -3.028  -2.843  -7.266
   61    H1*    A   6           H1*        A   6  -0.333  -1.948  -4.648
   62    H8     A   6           H8         A   6  -3.903  -2.281  -3.090
   63   1H6     A   6          1H6         A   6  -2.203  -1.839   1.863
   64   2H6     A   6          2H6         A   6  -0.469  -1.458   2.116
   65    H2     A   6           H2         A   6   2.018  -0.963  -0.940
   66   1H2*    A   6          1H2*        A   6  -3.115  -3.063  -5.042
   67   2H2*    A   6          2H2*        A   6  -1.599  -3.859  -5.276
   68   1H5*    A   7          1H5*        A   7   1.572  -2.003  -8.239
   69   2H5*    A   7          2H5*        A   7   2.146  -3.059  -9.535
   70    H4*    A   7           H4*        A   7   3.734  -2.797  -7.753
   71    H3*    A   7           H3*        A   7   3.536  -5.154  -8.810
   72    H1*    A   7           H1*        A   7   3.923  -4.396  -5.241
   73    H8     A   7           H8         A   7   0.412  -5.320  -5.944
   74   1H6     A   7          1H6         A   7  -1.362  -5.423  -0.875
   75   2H6     A   7          2H6         A   7  -0.170  -4.877   0.352
   76    H2     A   7           H2         A   7   3.460  -3.701  -0.640
   77   1H2*    A   7          1H2*        A   7   2.060  -5.889  -7.061
   78   2H2*    A   7          2H2*        A   7   3.537  -6.458  -6.388
   79   1H5*    C   8          1H5*        C   8   6.716  -4.001  -5.549
   80   2H5*    C   8          2H5*        C   8   8.325  -4.657  -5.898
   81    H4*    C   8           H4*        C   8   8.030  -4.702  -3.489
   82    H3*    C   8           H3*        C   8   8.956  -6.851  -4.581
   83    H1*    C   8           H1*        C   8   6.459  -6.246  -1.800
   84   1H4     C   8          1H4         C   8   0.405  -8.508  -2.704
   85   2H4     C   8          2H4         C   8   1.042  -8.601  -1.015
   86    H5     C   8           H5         C   8   2.027  -7.805  -4.437
   87    H6     C   8           H6         C   8   4.428  -7.129  -4.692
   88   1H2*    C   8          1H2*        C   8   6.863  -8.029  -4.322
   89   2H2*    C   8          2H2*        C   8   7.585  -8.316  -2.780
   90   1H5*    G   9          1H5*        G   9   8.926  -6.535   0.206
   91   2H5*    G   9          2H5*        G   9  10.654  -6.479   0.609
   92    H4*    G   9           H4*        G   9   9.857  -7.710   2.326
   93    H3*    G   9           H3*        G   9  11.474  -8.978   0.899
   94    H1*    G   9           H1*        G   9   8.237 -10.481   2.174
   95    H8     G   9           H8         G   9   7.948 -10.221  -1.662
   96    H1     G   9           H1         G   9   2.504 -11.628   1.460
   97   1H2     G   9          1H2         G   9   4.373 -11.283   4.108
   98   2H2     G   9          2H2         G   9   2.787 -11.631   3.361
   99   1H2*    G   9          1H2*        G   9   9.787 -10.082  -0.456
  100   2H2*    G   9          2H2*        G   9  10.007 -11.436   0.603
  101   1H5*    G  10          1H5*        G  10   9.536 -10.552   4.863
  102   2H5*    G  10          2H5*        G  10  10.803 -11.318   5.819
  103    H4*    G  10           H4*        G  10   8.881 -11.981   6.627
  104    H3*    G  10           H3*        G  10  10.478 -14.227   5.808
  105    H1*    G  10           H1*        G  10   6.891 -14.268   5.093
  106    H8     G  10           H8         G  10   8.838 -13.093   2.029
  107    H1     G  10           H1         G  10   2.867 -15.274   0.880
  108   1H2     G  10          1H2         G  10   2.638 -15.372   4.076
  109   2H2     G  10          2H2         G  10   1.948 -15.617   2.451
  110    H3T    G  10           H3T        G  10   8.894 -15.542   6.808
  111   1H2*    G  10          1H2*        G  10   9.572 -14.181   3.762
  112   2H2*    G  10          2H2*        G  10   8.744 -15.581   4.411
  113   1H5*    C  11          1H5*        C  11  -5.494 -16.339  -1.505
  114   2H5*    C  11          2H5*        C  11  -5.025 -17.941  -0.932
  115    H4*    C  11           H4*        C  11  -4.606 -17.010   1.302
  116    H3*    C  11           H3*        C  11  -5.659 -14.446   0.296
  117    H1*    C  11           H1*        C  11  -2.406 -15.735   1.684
  118   1H4     C  11          1H4         C  11   2.008 -14.044  -2.795
  119   2H4     C  11          2H4         C  11   2.809 -14.388  -1.228
  120    H5     C  11           H5         C  11  -0.269 -14.029  -2.961
  121    H6     C  11           H6         C  11  -2.420 -14.346  -1.608
  122    H5T    C  11           H5T        C  11  -7.170 -16.404   0.191
  123   1H2*    C  11          1H2*        C  11  -3.756 -13.613   0.150
  124   2H2*    C  11          2H2*        C  11  -3.497 -13.738   1.904
  125   1H5*    C  12          1H5*        C  12  -4.166 -14.995   4.542
  126   2H5*    C  12          2H5*        C  12  -5.114 -14.126   5.754
  127    H4*    C  12           H4*        C  12  -2.833 -13.773   6.243
  128    H3*    C  12           H3*        C  12  -4.281 -11.565   6.104
  129    H1*    C  12           H1*        C  12  -0.781 -12.137   4.893
  130   1H4     C  12          1H4         C  12  -0.618 -11.128  -1.633
  131   2H4     C  12          2H4         C  12   0.997 -11.389  -0.881
  132    H5     C  12           H5         C  12  -2.523 -11.174  -0.190
  133    H6     C  12           H6         C  12  -3.274 -11.453   2.027
  134   1H2*    C  12          1H2*        C  12  -3.529 -11.028   4.006
  135   2H2*    C  12          2H2*        C  12  -2.415 -10.047   4.940
  136   1H5*    G  13          1H5*        G  13   0.039 -11.668   8.657
  137   2H5*    G  13          2H5*        G  13  -0.090 -10.545  10.015
  138    H4*    G  13           H4*        G  13   2.186 -10.491   8.977
  139    H3*    G  13           H3*        G  13   1.317  -8.328   9.967
  140    H1*    G  13           H1*        G  13   2.789  -8.746   6.547
  141    H8     G  13           H8         G  13  -0.895  -8.486   6.041
  142    H1     G  13           H1         G  13   2.858  -8.047   0.800
  143   1H2     G  13          1H2         G  13   5.198  -8.075   3.088
  144   2H2     G  13          2H2         G  13   4.743  -8.000   1.364
  145   1H2*    G  13          1H2*        G  13   0.279  -7.666   7.876
  146   2H2*    G  13          2H2*        G  13   1.753  -6.729   7.778
  147   1H5*    T  14          1H5*        T  14   5.094  -8.231   6.677
  148   2H5*    T  14          2H5*        T  14   6.295  -7.757   7.883
  149    H4*    T  14           H4*        T  14   7.112  -6.929   6.066
  150    H3*    T  14           H3*        T  14   6.351  -4.994   7.815
  151   1H2*    T  14          1H2*        T  14   4.505  -4.501   6.805
  152   2H2*    T  14          2H2*        T  14   5.418  -3.231   6.041
  153    H1*    T  14           H1*        T  14   5.939  -4.558   4.148
  154    H3     T  14           H3         T  14   2.324  -4.603   1.259
  155   1H5M    T  14          1H5M        T  14   0.536  -5.747   6.157
  156   2H5M    T  14          2H5M        T  14  -0.034  -4.150   5.667
  157   3H5M    T  14          3H5M        T  14  -0.571  -5.611   4.790
  158    H6     T  14           H6         T  14   2.784  -5.137   5.991
  159   1H5*    T  15          1H5*        T  15   8.940  -4.022   4.060
  160   2H5*    T  15          2H5*        T  15  10.081  -2.695   4.261
  161    H4*    T  15           H4*        T  15   9.298  -2.918   2.076
  162    H3*    T  15           H3*        T  15   9.520  -0.377   3.070
  163   1H2*    T  15          1H2*        T  15   7.244  -0.429   3.826
  164   2H2*    T  15          2H2*        T  15   7.079   0.564   2.397
  165    H1*    T  15           H1*        T  15   6.639  -1.524   1.060
  166    H3     T  15           H3         T  15   2.135  -1.470   1.207
  167   1H5M    T  15          1H5M        T  15   3.910  -1.411   6.288
  168   2H5M    T  15          2H5M        T  15   2.593  -2.551   5.917
  169   3H5M    T  15          3H5M        T  15   2.299  -0.808   5.848
  170    H6     T  15           H6         T  15   5.497  -1.662   4.623
  171   1H5*    T  16          1H5*        T  16   7.197  -1.101  -0.987
  172   2H5*    T  16          2H5*        T  16   8.450  -0.448  -2.030
  173    H4*    T  16           H4*        T  16   6.687  -0.385  -3.306
  174    H3*    T  16           H3*        T  16   7.738   1.847  -3.133
  175   1H2*    T  16          1H2*        T  16   5.989   2.585  -1.631
  176   2H2*    T  16          2H2*        T  16   5.311   3.321  -3.026
  177    H1*    T  16           H1*        T  16   4.061   1.333  -3.397
  178    H3     T  16           H3         T  16   0.494   2.155  -0.605
  179   1H5M    T  16          1H5M        T  16   3.304   1.295   3.100
  180   2H5M    T  16          2H5M        T  16   4.909   1.228   2.350
  181   3H5M    T  16          3H5M        T  16   4.159   2.797   2.684
  182    H6     T  16           H6         T  16   5.194   1.318  -0.059
  183   1H5*    T  17          1H5*        T  17   4.078   1.055  -6.079
  184   2H5*    T  17          2H5*        T  17   4.408   1.724  -7.689
  185    H4*    T  17           H4*        T  17   2.111   2.047  -7.197
  186    H3*    T  17           H3*        T  17   3.746   4.442  -7.348
  187   1H2*    T  17          1H2*        T  17   2.726   5.479  -5.769
  188   2H2*    T  17          2H2*        T  17   1.250   5.584  -6.617
  189    H1*    T  17           H1*        T  17   0.550   3.284  -5.571
  190    H3     T  17           H3         T  17  -0.740   5.018  -1.557
  191   1H5M    T  17          1H5M        T  17   4.129   4.444  -0.707
  192   2H5M    T  17          2H5M        T  17   4.590   5.565  -2.007
  193   3H5M    T  17          3H5M        T  17   3.721   6.170  -0.586
  194    H6     T  17           H6         T  17   3.449   4.551  -3.825
  195   1H5*    G  18          1H5*        G  18  -0.640   3.798  -8.030
  196   2H5*    G  18          2H5*        G  18  -1.056   4.171  -9.710
  197    H4*    G  18           H4*        G  18  -2.945   4.506  -8.565
  198    H3*    G  18           H3*        G  18  -2.160   6.708  -9.902
  199    H1*    G  18           H1*        G  18  -3.650   6.823  -6.484
  200    H8     G  18           H8         G  18   0.110   7.232  -6.096
  201    H1     G  18           H1         G  18  -3.446   8.149  -0.792
  202   1H2     G  18          1H2         G  18  -5.898   7.580  -2.811
  203   2H2     G  18          2H2         G  18  -5.292   7.960  -1.179
  204   1H2*    G  18          1H2*        G  18  -1.122   7.643  -8.004
  205   2H2*    G  18          2H2*        G  18  -2.590   8.577  -7.998
  206   1H5*    C  19          1H5*        C  19  -6.481   6.440  -7.697
  207   2H5*    C  19          2H5*        C  19  -7.658   7.084  -8.858
  208    H4*    C  19           H4*        C  19  -8.509   7.686  -6.734
  209    H3*    C  19           H3*        C  19  -8.314   9.688  -8.377
  210    H1*    C  19           H1*        C  19  -7.505   9.910  -4.774
  211   1H4     C  19          1H4         C  19  -1.077  11.301  -4.303
  212   2H4     C  19          2H4         C  19  -2.024  11.711  -2.832
  213    H5     C  19           H5         C  19  -2.200  10.300  -6.062
  214    H6     C  19           H6         C  19  -4.456   9.450  -6.850
  215   1H2*    C  19          1H2*        C  19  -6.397  10.535  -7.391
  216   2H2*    C  19          2H2*        C  19  -7.672  11.205  -6.440
  217   1H5*    C  20          1H5*        C  20 -10.522  11.700  -4.579
  218   2H5*    C  20          2H5*        C  20 -11.718  12.714  -5.393
  219    H4*    C  20           H4*        C  20 -10.665  14.058  -4.051
  220    H3*    C  20           H3*        C  20  -9.332  14.472  -6.696
  221    H1*    C  20           H1*        C  20  -8.332  15.129  -3.173
  222   1H4     C  20          1H4         C  20  -2.365  13.974  -5.695
  223   2H4     C  20          2H4         C  20  -2.235  14.810  -4.114
  224    H5     C  20           H5         C  20  -4.641  13.281  -6.532
  225    H6     C  20           H6         C  20  -6.785  13.263  -6.043
  226    H3T    C  20           H3T        C  20 -10.913  16.380  -5.287
  227   1H2*    C  20          1H2*        C  20  -7.619  15.456  -6.128
  228   2H2*    C  20          2H2*        C  20  -8.350  16.606  -5.120
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   3.022  16.173   4.803
    2   2H5*    G   1          2H5*        G   1   2.241  17.722   5.106
    3    H4*    G   1           H4*        G   1   0.614  16.679   6.534
    4    H3*    G   1           H3*        G   1   2.004  14.377   7.097
    5    H1*    G   1           H1*        G   1  -0.630  14.047   4.562
    6    H8     G   1           H8         G   1   2.695  14.210   2.803
    7    H1     G   1           H1         G   1  -2.251  13.880  -1.267
    8   1H2     G   1          1H2         G   1  -3.590  14.002  -0.680
    9   2H2     G   1          2H2         G   1  -4.248  14.225   0.903
   10    H5T    G   1           H5T        G   1   3.500  16.064   7.072
   11   1H2*    G   1          1H2*        G   1   2.293  13.971   4.893
   12   2H2*    G   1          2H2*        G   1   1.140  12.740   5.298
   13   1H5*    G   2          1H5*        G   2  -2.827  14.083   7.215
   14   2H5*    G   2          2H5*        G   2  -3.113  13.444   8.839
   15    H4*    G   2           H4*        G   2  -4.808  12.673   7.583
   16    H3*    G   2           H3*        G   2  -3.511  10.695   8.850
   17    H1*    G   2           H1*        G   2  -4.529  10.355   5.222
   18    H8     G   2           H8         G   2  -0.732  10.784   5.309
   19    H1     G   2           H1         G   2  -3.376  10.732  -0.551
   20   1H2     G   2          1H2         G   2  -6.143  10.631   1.020
   21   2H2     G   2          2H2         G   2  -5.205  10.671  -0.495
   22   1H2*    G   2          1H2*        G   2  -2.046  10.372   7.010
   23   2H2*    G   2          2H2*        G   2  -3.077   9.003   6.779
   24   1H5*    C   3          1H5*        C   3  -7.313  10.161   6.216
   25   2H5*    C   3          2H5*        C   3  -8.434   9.053   7.020
   26    H4*    C   3           H4*        C   3  -8.847   8.936   4.708
   27    H3*    C   3           H3*        C   3  -8.300   6.718   6.018
   28    H1*    C   3           H1*        C   3  -7.191   7.726   2.517
   29   1H4     C   3          1H4         C   3  -0.636   7.317   3.009
   30   2H4     C   3          2H4         C   3  -1.235   7.216   1.308
   31    H5     C   3           H5         C   3  -2.306   7.489   4.758
   32    H6     C   3           H6         C   3  -4.727   7.600   5.177
   33   1H2*    C   3          1H2*        C   3  -6.266   6.256   5.126
   34   2H2*    C   3          2H2*        C   3  -7.118   5.520   3.820
   35   1H5*    A   4          1H5*        A   4  -9.308   6.483   1.496
   36   2H5*    A   4          2H5*        A   4 -10.863   5.646   1.366
   37    H4*    A   4           H4*        A   4  -9.850   5.111  -0.577
   38    H3*    A   4           H3*        A   4 -10.273   2.786   0.917
   39    H1*    A   4           H1*        A   4  -7.300   3.280  -1.022
   40    H8     A   4           H8         A   4  -6.169   3.499   2.587
   41   1H6     A   4          1H6         A   4  -1.225   4.522   1.815
   42   2H6     A   4          2H6         A   4  -0.541   4.806   0.201
   43    H2     A   4           H2         A   4  -3.096   4.624  -2.965
   44   1H2*    A   4          1H2*        A   4  -8.097   2.958   1.706
   45   2H2*    A   4          2H2*        A   4  -7.936   1.694   0.556
   46   1H5*    A   5          1H5*        A   5  -8.997   2.501  -3.787
   47   2H5*    A   5          2H5*        A   5  -9.971   1.162  -4.423
   48    H4*    A   5           H4*        A   5  -7.973   0.919  -5.553
   49    H3*    A   5           H3*        A   5  -8.674  -1.203  -4.492
   50    H1*    A   5           H1*        A   5  -5.192   0.063  -4.152
   51    H8     A   5           H8         A   5  -6.685   0.358  -0.709
   52   1H6     A   5          1H6         A   5  -2.203   1.364   1.701
   53   2H6     A   5          2H6         A   5  -0.724   1.682   0.756
   54    H2     A   5           H2         A   5  -0.928   1.600  -3.260
   55   1H2*    A   5          1H2*        A   5  -7.509  -0.761  -2.400
   56   2H2*    A   5          2H2*        A   5  -6.363  -1.850  -3.107
   57   1H5*    A   6          1H5*        A   6  -4.437  -0.414  -6.449
   58   2H5*    A   6          2H5*        A   6  -4.685  -1.390  -7.903
   59    H4*    A   6           H4*        A   6  -2.451  -1.204  -7.866
   60    H3*    A   6           H3*        A   6  -3.190  -3.688  -7.833
   61    H1*    A   6           H1*        A   6  -0.464  -2.646  -5.281
   62    H8     A   6           H8         A   6  -3.963  -3.000  -3.632
   63   1H6     A   6          1H6         A   6  -2.322  -1.900   1.144
   64   2H6     A   6          2H6         A   6  -0.636  -1.373   1.420
   65    H2     A   6           H2         A   6   1.877  -1.058  -1.746
   66   1H2*    A   6          1H2*        A   6  -3.215  -3.835  -5.555
   67   2H2*    A   6          2H2*        A   6  -1.689  -4.600  -5.794
   68   1H5*    A   7          1H5*        A   7   1.301  -2.594  -8.695
   69   2H5*    A   7          2H5*        A   7   2.087  -3.637  -9.884
   70    H4*    A   7           H4*        A   7   3.506  -3.159  -8.005
   71    H3*    A   7           H3*        A   7   3.555  -5.475  -8.980
   72    H1*    A   7           H1*        A   7   3.683  -4.470  -5.408
   73    H8     A   7           H8         A   7   0.382  -5.922  -6.162
   74   1H6     A   7          1H6         A   7  -1.521  -5.809  -1.133
   75   2H6     A   7          2H6         A   7  -0.416  -5.111   0.099
   76    H2     A   7           H2         A   7   3.191  -3.764  -0.927
   77   1H2*    A   7          1H2*        A   7   2.157  -6.385  -7.228
   78   2H2*    A   7          2H2*        A   7   3.682  -6.689  -6.442
   79   1H5*    C   8          1H5*        C   8   6.597  -3.798  -5.739
   80   2H5*    C   8          2H5*        C   8   8.271  -4.295  -6.059
   81    H4*    C   8           H4*        C   8   8.029  -4.306  -3.603
   82    H3*    C   8           H3*        C   8   9.097  -6.378  -4.631
   83    H1*    C   8           H1*        C   8   6.578  -5.911  -1.879
   84   1H4     C   8          1H4         C   8   0.793  -8.915  -2.883
   85   2H4     C   8          2H4         C   8   1.311  -8.673  -1.171
   86    H5     C   8           H5         C   8   2.441  -8.200  -4.587
   87    H6     C   8           H6         C   8   4.744  -7.181  -4.787
   88   1H2*    C   8          1H2*        C   8   7.083  -7.689  -4.375
   89   2H2*    C   8          2H2*        C   8   7.859  -7.929  -2.849
   90   1H5*    G   9          1H5*        G   9   8.722  -6.004   0.231
   91   2H5*    G   9          2H5*        G   9  10.452  -5.955   0.628
   92    H4*    G   9           H4*        G   9   9.708  -7.090   2.397
   93    H3*    G   9           H3*        G   9  11.178  -8.470   0.950
   94    H1*    G   9           H1*        G   9   7.945  -9.785   2.467
   95    H8     G   9           H8         G   9   7.500  -9.642  -1.378
   96    H1     G   9           H1         G   9   2.290 -11.216   2.016
   97   1H2     G   9          1H2         G   9   4.155 -10.624   4.561
   98   2H2     G   9          2H2         G   9   2.585 -11.111   3.864
   99   1H2*    G   9          1H2*        G   9   9.399  -9.595  -0.253
  100   2H2*    G   9          2H2*        G   9   9.610 -10.902   0.873
  101   1H5*    G  10          1H5*        G  10   9.250  -9.787   4.931
  102   2H5*    G  10          2H5*        G  10  10.536 -10.454   5.932
  103    H4*    G  10           H4*        G  10   8.690 -11.075   6.868
  104    H3*    G  10           H3*        G  10  10.202 -13.390   6.090
  105    H1*    G  10           H1*        G  10   6.600 -13.410   5.637
  106    H8     G  10           H8         G  10   8.255 -12.488   2.399
  107    H1     G  10           H1         G  10   2.320 -15.020   1.950
  108   1H2     G  10          1H2         G  10   2.331 -14.717   5.123
  109   2H2     G  10          2H2         G  10   1.532 -15.195   3.602
  110    H3T    G  10           H3T        G  10   8.643 -14.596   7.269
  111   1H2*    G  10          1H2*        G  10   9.156 -13.467   4.104
  112   2H2*    G  10          2H2*        G  10   8.358 -14.803   4.912
  113   1H5*    C  11          1H5*        C  11  -5.485 -19.682   1.571
  114   2H5*    C  11          2H5*        C  11  -6.726 -18.837   2.492
  115    H4*    C  11           H4*        C  11  -4.731 -18.525   3.611
  116    H3*    C  11           H3*        C  11  -5.665 -16.010   2.285
  117    H1*    C  11           H1*        C  11  -2.399 -17.398   3.543
  118   1H4     C  11          1H4         C  11   1.266 -15.592  -1.603
  119   2H4     C  11          2H4         C  11   2.267 -15.719  -0.121
  120    H5     C  11           H5         C  11  -1.030 -15.896  -1.480
  121    H6     C  11           H6         C  11  -2.929 -16.397   0.133
  122    H5T    C  11           H5T        C  11  -6.630 -17.145   0.899
  123   1H2*    C  11          1H2*        C  11  -3.809 -15.245   2.043
  124   2H2*    C  11          2H2*        C  11  -3.350 -15.269   3.717
  125   1H5*    C  12          1H5*        C  12  -3.837 -15.115   6.048
  126   2H5*    C  12          2H5*        C  12  -4.964 -14.229   7.066
  127    H4*    C  12           H4*        C  12  -3.038 -13.454   7.410
  128    H3*    C  12           H3*        C  12  -4.756 -11.344   6.535
  129    H1*    C  12           H1*        C  12  -1.197 -11.363   5.694
  130   1H4     C  12          1H4         C  12  -0.247 -13.259  -0.551
  131   2H4     C  12          2H4         C  12   1.157 -12.378   0.151
  132    H5     C  12           H5         C  12  -2.135 -13.538   0.766
  133    H6     C  12           H6         C  12  -3.152 -13.041   3.019
  134   1H2*    C  12          1H2*        C  12  -3.903 -11.537   4.418
  135   2H2*    C  12          2H2*        C  12  -3.125 -10.069   4.967
  136   1H5*    G  13          1H5*        G  13  -0.648 -10.607   8.851
  137   2H5*    G  13          2H5*        G  13  -0.824  -9.259   9.976
  138    H4*    G  13           H4*        G  13   1.468  -9.477   9.121
  139    H3*    G  13           H3*        G  13   0.577  -7.156   9.642
  140    H1*    G  13           H1*        G  13   2.333  -8.158   6.470
  141    H8     G  13           H8         G  13  -1.314  -8.356   5.544
  142    H1     G  13           H1         G  13   2.881  -7.608   0.683
  143   1H2     G  13          1H2         G  13   4.992  -7.216   3.146
  144   2H2     G  13          2H2         G  13   4.671  -7.279   1.391
  145   1H2*    G  13          1H2*        G  13  -0.251  -6.820   7.349
  146   2H2*    G  13          2H2*        G  13   1.286  -5.948   7.259
  147   1H5*    T  14          1H5*        T  14   4.506  -7.346   6.902
  148   2H5*    T  14          2H5*        T  14   5.685  -6.798   8.100
  149    H4*    T  14           H4*        T  14   6.602  -6.156   6.245
  150    H3*    T  14           H3*        T  14   5.801  -4.019   7.739
  151   1H2*    T  14          1H2*        T  14   4.004  -3.638   6.602
  152   2H2*    T  14          2H2*        T  14   4.967  -2.466   5.751
  153    H1*    T  14           H1*        T  14   5.524  -3.973   4.021
  154    H3     T  14           H3         T  14   2.016  -4.355   1.031
  155   1H5M    T  14          1H5M        T  14  -0.953  -3.894   4.699
  156   2H5M    T  14          2H5M        T  14  -0.557  -5.588   5.021
  157   3H5M    T  14          3H5M        T  14   0.090  -4.321   6.072
  158    H6     T  14           H6         T  14   2.323  -4.392   5.806
  159   1H5*    T  15          1H5*        T  15   8.419  -3.669   3.987
  160   2H5*    T  15          2H5*        T  15   9.675  -2.433   4.047
  161    H4*    T  15           H4*        T  15   8.927  -2.773   1.854
  162    H3*    T  15           H3*        T  15   9.265  -0.213   2.636
  163   1H2*    T  15          1H2*        T  15   6.979   0.005   3.261
  164   2H2*    T  15          2H2*        T  15   6.963   0.792   1.706
  165    H1*    T  15           H1*        T  15   6.390  -1.422   0.620
  166    H3     T  15           H3         T  15   1.911  -1.166   0.589
  167   1H5M    T  15          1H5M        T  15   3.479  -0.606   5.707
  168   2H5M    T  15          2H5M        T  15   2.181  -1.782   5.406
  169   3H5M    T  15          3H5M        T  15   1.880  -0.059   5.148
  170    H6     T  15           H6         T  15   5.130  -1.081   4.136
  171   1H5*    T  16          1H5*        T  16   7.120  -1.065  -1.456
  172   2H5*    T  16          2H5*        T  16   8.406  -0.527  -2.531
  173    H4*    T  16           H4*        T  16   6.651  -0.379  -3.769
  174    H3*    T  16           H3*        T  16   7.771   1.881  -3.697
  175   1H2*    T  16          1H2*        T  16   6.096   2.661  -2.166
  176   2H2*    T  16          2H2*        T  16   5.408   3.382  -3.555
  177    H1*    T  16           H1*        T  16   4.090   1.424  -3.860
  178    H3     T  16           H3         T  16   0.549   2.124  -1.041
  179   1H5M    T  16          1H5M        T  16   3.390   1.845   2.675
  180   2H5M    T  16          2H5M        T  16   4.961   1.517   1.936
  181   3H5M    T  16          3H5M        T  16   4.378   3.181   2.040
  182    H6     T  16           H6         T  16   5.290   1.579  -0.568
  183   1H5*    T  17          1H5*        T  17   4.209   1.285  -6.756
  184   2H5*    T  17          2H5*        T  17   4.451   2.127  -8.295
  185    H4*    T  17           H4*        T  17   2.260   2.355  -7.525
  186    H3*    T  17           H3*        T  17   3.845   4.835  -7.589
  187   1H2*    T  17          1H2*        T  17   2.856   5.738  -5.914
  188   2H2*    T  17          2H2*        T  17   1.315   5.810  -6.655
  189    H1*    T  17           H1*        T  17   0.822   3.416  -5.757
  190    H3     T  17           H3         T  17  -0.396   4.847  -1.630
  191   1H5M    T  17          1H5M        T  17   4.543   4.580  -0.970
  192   2H5M    T  17          2H5M        T  17   4.881   5.751  -2.262
  193   3H5M    T  17          3H5M        T  17   4.037   6.275  -0.795
  194    H6     T  17           H6         T  17   3.720   4.714  -4.067
  195   1H5*    G  18          1H5*        G  18  -0.503   4.362  -8.113
  196   2H5*    G  18          2H5*        G  18  -0.952   4.821  -9.760
  197    H4*    G  18           H4*        G  18  -2.762   5.069  -8.597
  198    H3*    G  18           H3*        G  18  -1.895   7.479  -9.652
  199    H1*    G  18           H1*        G  18  -3.495   7.158  -6.297
  200    H8     G  18           H8         G  18   0.264   7.369  -5.741
  201    H1     G  18           H1         G  18  -3.430   7.700  -0.454
  202   1H2     G  18          1H2         G  18  -5.851   7.404  -2.680
  203   2H2     G  18          2H2         G  18  -5.338   7.578  -0.978
  204   1H2*    G  18          1H2*        G  18  -0.900   8.098  -7.629
  205   2H2*    G  18          2H2*        G  18  -2.321   9.081  -7.536
  206   1H5*    C  19          1H5*        C  19  -6.185   7.371  -7.479
  207   2H5*    C  19          2H5*        C  19  -7.299   8.111  -8.645
  208    H4*    C  19           H4*        C  19  -8.132   8.722  -6.561
  209    H3*    C  19           H3*        C  19  -7.539  10.760  -8.126
  210    H1*    C  19           H1*        C  19  -7.039  10.705  -4.465
  211   1H4     C  19          1H4         C  19  -0.553  10.726  -3.246
  212   2H4     C  19          2H4         C  19  -1.493  11.100  -1.770
  213    H5     C  19           H5         C  19  -1.639  10.242  -5.197
  214    H6     C  19           H6         C  19  -3.861   9.961  -6.290
  215   1H2*    C  19          1H2*        C  19  -5.621  11.319  -6.916
  216   2H2*    C  19          2H2*        C  19  -6.846  12.106  -5.918
  217   1H5*    C  20          1H5*        C  20 -10.156  13.102  -4.739
  218   2H5*    C  20          2H5*        C  20 -10.847  14.407  -5.707
  219    H4*    C  20           H4*        C  20  -9.656  15.262  -3.963
  220    H3*    C  20           H3*        C  20  -8.043  15.586  -6.376
  221    H1*    C  20           H1*        C  20  -7.242  15.696  -2.816
  222   1H4     C  20          1H4         C  20  -1.528  13.347  -5.065
  223   2H4     C  20          2H4         C  20  -1.406  13.580  -3.289
  224    H5     C  20           H5         C  20  -3.694  13.639  -6.215
  225    H6     C  20           H6         C  20  -5.866  14.151  -5.896
  226    H3T    C  20           H3T        C  20  -8.610  17.897  -6.153
  227   1H2*    C  20          1H2*        C  20  -6.214  16.218  -5.590
  228   2H2*    C  20          2H2*        C  20  -6.821  17.296  -4.438
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   2.567  16.363   5.885
    2   2H5*    G   1          2H5*        G   1   1.752  17.885   6.264
    3    H4*    G   1           H4*        G   1   0.077  16.731   7.511
    4    H3*    G   1           H3*        G   1   1.455  14.405   7.992
    5    H1*    G   1           H1*        G   1  -1.057  14.298   5.373
    6    H8     G   1           H8         G   1   2.202  14.748   3.525
    7    H1     G   1           H1         G   1  -2.935  13.849  -0.205
    8   1H2     G   1          1H2         G   1  -4.240  13.843   0.470
    9   2H2     G   1          2H2         G   1  -4.799  14.023   2.096
   10    H5T    G   1           H5T        G   1   3.489  17.399   7.752
   11   1H2*    G   1          1H2*        G   1   1.875  14.159   5.673
   12   2H2*    G   1          2H2*        G   1   0.714  12.894   5.965
   13   1H5*    G   2          1H5*        G   2  -3.345  14.034   7.241
   14   2H5*    G   2          2H5*        G   2  -3.763  13.395   8.839
   15    H4*    G   2           H4*        G   2  -5.409  12.672   7.496
   16    H3*    G   2           H3*        G   2  -4.211  10.663   8.796
   17    H1*    G   2           H1*        G   2  -5.074  10.375   5.134
   18    H8     G   2           H8         G   2  -1.277  10.772   5.327
   19    H1     G   2           H1         G   2  -3.754  10.753  -0.614
   20   1H2     G   2          1H2         G   2  -6.573  10.623   0.929
   21   2H2     G   2          2H2         G   2  -5.616  10.681  -0.574
   22   1H2*    G   2          1H2*        G   2  -2.669  10.313   7.010
   23   2H2*    G   2          2H2*        G   2  -3.733   8.982   6.732
   24   1H5*    C   3          1H5*        C   3  -7.958  10.205   6.059
   25   2H5*    C   3          2H5*        C   3  -9.106   9.071   6.782
   26    H4*    C   3           H4*        C   3  -9.413   9.034   4.444
   27    H3*    C   3           H3*        C   3  -8.974   6.790   5.709
   28    H1*    C   3           H1*        C   3  -7.660   7.852   2.302
   29   1H4     C   3          1H4         C   3  -1.147   7.286   3.102
   30   2H4     C   3          2H4         C   3  -1.675   7.248   1.376
   31    H5     C   3           H5         C   3  -2.886   7.456   4.773
   32    H6     C   3           H6         C   3  -5.338   7.622   5.088
   33   1H2*    C   3          1H2*        C   3  -6.893   6.311   4.920
   34   2H2*    C   3          2H2*        C   3  -7.680   5.613   3.548
   35   1H5*    A   4          1H5*        A   4  -9.660   6.652   1.125
   36   2H5*    A   4          2H5*        A   4 -11.210   5.846   0.853
   37    H4*    A   4           H4*        A   4 -10.082   5.318  -1.005
   38    H3*    A   4           H3*        A   4 -10.601   2.971   0.414
   39    H1*    A   4           H1*        A   4  -7.519   3.495  -1.354
   40    H8     A   4           H8         A   4  -6.595   3.644   2.313
   41   1H6     A   4          1H6         A   4  -1.579   4.578   1.844
   42   2H6     A   4          2H6         A   4  -0.812   4.866   0.266
   43    H2     A   4           H2         A   4  -3.156   4.771  -3.032
   44   1H2*    A   4          1H2*        A   4  -8.468   3.109   1.319
   45   2H2*    A   4          2H2*        A   4  -8.246   1.872   0.139
   46   1H5*    A   5          1H5*        A   5  -8.851   2.729  -4.099
   47   2H5*    A   5          2H5*        A   5  -9.800   1.448  -4.872
   48    H4*    A   5           H4*        A   5  -7.747   1.103  -5.777
   49    H3*    A   5           H3*        A   5  -8.587  -0.997  -4.644
   50    H1*    A   5           H1*        A   5  -5.099   0.203  -4.221
   51    H8     A   5           H8         A   5  -6.649   0.542  -0.816
   52   1H6     A   5          1H6         A   5  -2.173   1.456   1.640
   53   2H6     A   5          2H6         A   5  -0.691   1.787   0.704
   54    H2     A   5           H2         A   5  -0.860   1.806  -3.295
   55   1H2*    A   5          1H2*        A   5  -7.500  -0.498  -2.536
   56   2H2*    A   5          2H2*        A   5  -6.331  -1.636  -3.159
   57   1H5*    A   6          1H5*        A   6  -4.228  -0.381  -6.366
   58   2H5*    A   6          2H5*        A   6  -4.535  -1.349  -7.813
   59    H4*    A   6           H4*        A   6  -2.345  -1.271  -7.798
   60    H3*    A   6           H3*        A   6  -3.228  -3.766  -7.563
   61    H1*    A   6           H1*        A   6  -0.333  -2.651  -5.224
   62    H8     A   6           H8         A   6  -3.762  -2.760  -3.397
   63   1H6     A   6          1H6         A   6  -1.730  -1.665   1.269
   64   2H6     A   6          2H6         A   6  -0.004  -1.216   1.396
   65    H2     A   6           H2         A   6   2.282  -1.063  -1.933
   66   1H2*    A   6          1H2*        A   6  -3.151  -3.756  -5.291
   67   2H2*    A   6          2H2*        A   6  -1.664  -4.602  -5.528
   68   1H5*    A   7          1H5*        A   7   1.295  -3.207  -8.808
   69   2H5*    A   7          2H5*        A   7   1.861  -4.459  -9.915
   70    H4*    A   7           H4*        A   7   3.464  -3.861  -8.232
   71    H3*    A   7           H3*        A   7   3.256  -6.258  -8.932
   72    H1*    A   7           H1*        A   7   3.736  -4.932  -5.504
   73    H8     A   7           H8         A   7   0.245  -6.118  -5.968
   74   1H6     A   7          1H6         A   7  -1.298  -5.563  -0.857
   75   2H6     A   7          2H6         A   7  -0.069  -4.875   0.253
   76    H2     A   7           H2         A   7   3.559  -3.854  -1.090
   77   1H2*    A   7          1H2*        A   7   1.918  -6.884  -6.999
   78   2H2*    A   7          2H2*        A   7   3.451  -7.253  -6.298
   79   1H5*    C   8          1H5*        C   8   6.633  -4.675  -5.910
   80   2H5*    C   8          2H5*        C   8   8.207  -5.392  -6.304
   81    H4*    C   8           H4*        C   8   8.179  -5.168  -3.874
   82    H3*    C   8           H3*        C   8   8.934  -7.406  -4.769
   83    H1*    C   8           H1*        C   8   6.667  -6.481  -1.923
   84   1H4     C   8          1H4         C   8   0.538  -8.717  -2.190
   85   2H4     C   8          2H4         C   8   1.105  -8.692  -0.491
   86    H5     C   8           H5         C   8   1.996  -8.174  -4.020
   87    H6     C   8           H6         C   8   4.340  -7.490  -4.511
   88   1H2*    C   8          1H2*        C   8   6.761  -8.473  -4.309
   89   2H2*    C   8          2H2*        C   8   7.614  -8.712  -2.837
   90   1H5*    G   9          1H5*        G   9   9.146  -6.786   0.146
   91   2H5*    G   9          2H5*        G   9  10.861  -7.155   0.396
   92    H4*    G   9           H4*        G   9   9.956  -7.923   2.270
   93    H3*    G   9           H3*        G   9  11.069 -10.161   0.988
   94    H1*    G   9           H1*        G   9   7.714 -10.312   2.688
   95    H8     G   9           H8         G   9   7.229 -10.181  -1.153
   96    H1     G   9           H1         G   9   2.000 -11.646   2.268
   97   1H2     G   9          1H2         G   9   3.960 -10.989   4.814
   98   2H2     G   9          2H2         G   9   2.361 -11.485   4.180
   99   1H2*    G   9          1H2*        G   9   9.090 -10.553  -0.050
  100   2H2*    G   9          2H2*        G   9   9.128 -11.778   1.168
  101   1H5*    G  10          1H5*        G  10   9.043 -10.398   5.196
  102   2H5*    G  10          2H5*        G  10  10.303 -11.116   6.205
  103    H4*    G  10           H4*        G  10   8.401 -11.627   7.191
  104    H3*    G  10           H3*        G  10   9.823 -13.973   6.482
  105    H1*    G  10           H1*        G  10   6.241 -13.922   5.877
  106    H8     G  10           H8         G  10   8.070 -12.999   2.720
  107    H1     G  10           H1         G  10   2.084 -15.279   1.913
  108   1H2     G  10          1H2         G  10   1.979 -15.090   5.149
  109   2H2     G  10          2H2         G  10   1.210 -15.485   3.585
  110    H3T    G  10           H3T        G  10   7.181 -14.142   7.522
  111   1H2*    G  10          1H2*        G  10   8.837 -14.076   4.466
  112   2H2*    G  10          2H2*        G  10   7.965 -15.355   5.266
  113   1H5*    C  11          1H5*        C  11  -6.313 -16.302  -0.153
  114   2H5*    C  11          2H5*        C  11  -5.928 -17.916   0.449
  115    H4*    C  11           H4*        C  11  -5.244 -16.918   2.608
  116    H3*    C  11           H3*        C  11  -6.290 -14.355   1.676
  117    H1*    C  11           H1*        C  11  -2.966 -15.727   2.735
  118   1H4     C  11          1H4         C  11   1.206 -14.377  -2.092
  119   2H4     C  11          2H4         C  11   2.048 -14.666  -0.532
  120    H5     C  11           H5         C  11  -1.117 -14.312  -2.131
  121    H6     C  11           H6         C  11  -3.181 -14.506  -0.632
  122    H5T    C  11           H5T        C  11  -7.529 -17.503   2.153
  123   1H2*    C  11          1H2*        C  11  -4.374 -13.650   1.175
  124   2H2*    C  11          2H2*        C  11  -3.918 -13.666   2.901
  125   1H5*    C  12          1H5*        C  12  -4.010 -14.718   5.749
  126   2H5*    C  12          2H5*        C  12  -4.986 -13.892   6.975
  127    H4*    C  12           H4*        C  12  -2.829 -13.348   7.441
  128    H3*    C  12           H3*        C  12  -4.340 -11.156   7.164
  129    H1*    C  12           H1*        C  12  -1.049 -11.153   5.608
  130   1H4     C  12          1H4         C  12  -1.281 -11.370  -0.879
  131   2H4     C  12          2H4         C  12   0.367 -11.649  -0.205
  132    H5     C  12           H5         C  12  -3.095 -11.259   0.696
  133    H6     C  12           H6         C  12  -3.692 -11.388   2.995
  134   1H2*    C  12          1H2*        C  12  -3.906 -11.029   4.959
  135   2H2*    C  12          2H2*        C  12  -2.870  -9.732   5.524
  136   1H5*    G  13          1H5*        G  13   0.241 -10.829   9.289
  137   2H5*    G  13          2H5*        G  13   0.163  -9.535  10.484
  138    H4*    G  13           H4*        G  13   2.372  -9.696   9.375
  139    H3*    G  13           H3*        G  13   1.608  -7.379  10.125
  140    H1*    G  13           H1*        G  13   2.909  -8.234   6.661
  141    H8     G  13           H8         G  13  -0.835  -8.152   6.488
  142    H1     G  13           H1         G  13   2.371  -8.098   0.918
  143   1H2     G  13          1H2         G  13   3.771  -7.942   1.024
  144   2H2     G  13          2H2         G  13   4.960  -7.750   2.238
  145   1H2*    G  13          1H2*        G  13   0.495  -6.958   8.023
  146   2H2*    G  13          2H2*        G  13   1.970  -6.060   7.737
  147   1H5*    T  14          1H5*        T  14   5.148  -7.715   6.758
  148   2H5*    T  14          2H5*        T  14   6.445  -7.189   7.834
  149    H4*    T  14           H4*        T  14   7.220  -6.585   5.907
  150    H3*    T  14           H3*        T  14   6.589  -4.393   7.428
  151   1H2*    T  14          1H2*        T  14   4.717  -3.997   6.432
  152   2H2*    T  14          2H2*        T  14   5.662  -2.865   5.506
  153    H1*    T  14           H1*        T  14   6.056  -4.406   3.763
  154    H3     T  14           H3         T  14   2.377  -4.555   1.011
  155   1H5M    T  14          1H5M        T  14   0.037  -3.738   5.320
  156   2H5M    T  14          2H5M        T  14  -0.394  -5.365   4.730
  157   3H5M    T  14          3H5M        T  14   0.720  -5.176   6.087
  158    H6     T  14           H6         T  14   2.961  -4.750   5.762
  159   1H5*    T  15          1H5*        T  15   8.966  -3.956   3.397
  160   2H5*    T  15          2H5*        T  15  10.232  -2.734   3.518
  161    H4*    T  15           H4*        T  15   9.424  -2.922   1.378
  162    H3*    T  15           H3*        T  15   9.692  -0.336   2.354
  163   1H2*    T  15          1H2*        T  15   7.453  -0.348   3.130
  164   2H2*    T  15          2H2*        T  15   7.281   0.636   1.701
  165    H1*    T  15           H1*        T  15   6.758  -1.462   0.377
  166    H3     T  15           H3         T  15   2.294  -1.373   0.639
  167   1H5M    T  15          1H5M        T  15   2.804  -2.140   5.422
  168   2H5M    T  15          2H5M        T  15   2.615  -0.390   5.250
  169   3H5M    T  15          3H5M        T  15   4.195  -1.060   5.684
  170    H6     T  15           H6         T  15   5.716  -1.440   3.978
  171   1H5*    T  16          1H5*        T  16   7.245  -0.683  -1.614
  172   2H5*    T  16          2H5*        T  16   8.547  -0.099  -2.635
  173    H4*    T  16           H4*        T  16   6.898   0.120  -3.861
  174    H3*    T  16           H3*        T  16   7.886   2.456  -3.541
  175   1H2*    T  16          1H2*        T  16   6.126   2.999  -2.011
  176   2H2*    T  16          2H2*        T  16   5.441   3.849  -3.324
  177    H1*    T  16           H1*        T  16   4.180   1.841  -3.855
  178    H3     T  16           H3         T  16   0.633   2.155  -0.974
  179   1H5M    T  16          1H5M        T  16   5.104   1.243   1.870
  180   2H5M    T  16          2H5M        T  16   4.468   2.856   2.218
  181   3H5M    T  16          3H5M        T  16   3.529   1.420   2.671
  182    H6     T  16           H6         T  16   5.392   1.654  -0.547
  183   1H5*    T  17          1H5*        T  17   4.428   2.057  -6.716
  184   2H5*    T  17          2H5*        T  17   4.704   3.030  -8.170
  185    H4*    T  17           H4*        T  17   2.461   3.107  -7.509
  186    H3*    T  17           H3*        T  17   3.961   5.627  -7.274
  187   1H2*    T  17          1H2*        T  17   2.867   6.341  -5.570
  188   2H2*    T  17          2H2*        T  17   1.361   6.447  -6.388
  189    H1*    T  17           H1*        T  17   0.892   3.971  -5.735
  190    H3     T  17           H3         T  17  -0.544   4.941  -1.547
  191   1H5M    T  17          1H5M        T  17   3.827   6.286  -0.337
  192   2H5M    T  17          2H5M        T  17   4.382   4.643  -0.726
  193   3H5M    T  17          3H5M        T  17   4.736   5.988  -1.829
  194    H6     T  17           H6         T  17   3.679   5.140  -3.796
  195   1H5*    G  18          1H5*        G  18  -0.348   5.021  -8.058
  196   2H5*    G  18          2H5*        G  18  -0.716   5.559  -9.705
  197    H4*    G  18           H4*        G  18  -2.639   5.698  -8.597
  198    H3*    G  18           H3*        G  18  -1.829   8.102  -9.585
  199    H1*    G  18           H1*        G  18  -3.514   7.698  -6.294
  200    H8     G  18           H8         G  18   0.206   7.986  -5.598
  201    H1     G  18           H1         G  18  -3.721   7.735  -0.473
  202   1H2     G  18          1H2         G  18  -6.018   7.605  -2.818
  203   2H2     G  18          2H2         G  18  -5.590   7.625  -1.087
  204   1H2*    G  18          1H2*        G  18  -0.924   8.743  -7.521
  205   2H2*    G  18          2H2*        G  18  -2.387   9.659  -7.469
  206   1H5*    C  19          1H5*        C  19  -6.319   7.581  -7.902
  207   2H5*    C  19          2H5*        C  19  -7.506   8.414  -8.934
  208    H4*    C  19           H4*        C  19  -8.088   8.935  -6.593
  209    H3*    C  19           H3*        C  19  -7.295  11.003  -8.288
  210    H1*    C  19           H1*        C  19  -7.029  10.080  -4.562
  211   1H4     C  19          1H4         C  19  -0.707  11.268  -3.349
  212   2H4     C  19          2H4         C  19  -1.674  11.285  -1.840
  213    H5     C  19           H5         C  19  -1.838  10.989  -5.431
  214    H6     C  19           H6         C  19  -3.990  10.679  -6.484
  215   1H2*    C  19          1H2*        C  19  -5.975  12.002  -6.610
  216   2H2*    C  19          2H2*        C  19  -7.367  12.175  -5.669
  217   1H5*    C  20          1H5*        C  20 -10.111  11.438  -4.687
  218   2H5*    C  20          2H5*        C  20 -11.409  12.618  -4.911
  219    H4*    C  20           H4*        C  20 -10.609  13.006  -2.824
  220    H3*    C  20           H3*        C  20  -9.402  15.055  -4.560
  221    H1*    C  20           H1*        C  20  -8.465  13.513  -1.229
  222   1H4     C  20          1H4         C  20  -2.434  14.430  -3.860
  223   2H4     C  20          2H4         C  20  -2.280  14.193  -2.089
  224    H5     C  20           H5         C  20  -4.672  14.370  -4.928
  225    H6     C  20           H6         C  20  -6.841  14.107  -4.515
  226    H3T    C  20           H3T        C  20 -11.601  15.339  -4.191
  227   1H2*    C  20          1H2*        C  20  -7.906  15.734  -3.299
  228   2H2*    C  20          2H2*        C  20  -8.861  15.888  -1.908
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   4.211  14.660   5.291
    2   2H5*    G   1          2H5*        G   1   3.970  16.397   5.514
    3    H4*    G   1           H4*        G   1   1.971  15.896   6.891
    4    H3*    G   1           H3*        G   1   2.611  13.551   7.447
    5    H1*    G   1           H1*        G   1   0.008  14.395   4.869
    6    H8     G   1           H8         G   1   3.140  13.773   2.870
    7    H1     G   1           H1         G   1  -2.344  13.656  -0.464
    8   1H2     G   1          1H2         G   1  -3.578  13.786   0.315
    9   2H2     G   1          2H2         G   1  -3.975  13.973   1.986
   10    H5T    G   1           H5T        G   1   5.444  15.480   7.081
   11   1H2*    G   1          1H2*        G   1   2.632  12.787   5.080
   12   2H2*    G   1          2H2*        G   1   1.059  12.159   5.540
   13   1H5*    G   2          1H5*        G   2  -2.356  14.079   6.944
   14   2H5*    G   2          2H5*        G   2  -2.777  13.648   8.613
   15    H4*    G   2           H4*        G   2  -4.544  12.875   7.501
   16    H3*    G   2           H3*        G   2  -3.278  10.846   8.705
   17    H1*    G   2           H1*        G   2  -4.522  10.493   5.163
   18    H8     G   2           H8         G   2  -0.725  10.895   5.015
   19    H1     G   2           H1         G   2  -3.661  10.413  -0.683
   20   1H2     G   2          1H2         G   2  -6.354  10.437   1.076
   21   2H2     G   2          2H2         G   2  -5.514  10.361  -0.497
   22   1H2*    G   2          1H2*        G   2  -1.948  10.396   6.791
   23   2H2*    G   2          2H2*        G   2  -3.085   9.106   6.656
   24   1H5*    C   3          1H5*        C   3  -7.212  10.289   6.257
   25   2H5*    C   3          2H5*        C   3  -8.316   9.195   7.104
   26    H4*    C   3           H4*        C   3  -8.733   9.019   4.782
   27    H3*    C   3           H3*        C   3  -8.195   6.824   6.157
   28    H1*    C   3           H1*        C   3  -7.115   7.746   2.633
   29   1H4     C   3          1H4         C   3  -0.561   7.244   3.014
   30   2H4     C   3          2H4         C   3  -1.204   7.095   1.333
   31    H5     C   3           H5         C   3  -2.196   7.487   4.792
   32    H6     C   3           H6         C   3  -4.605   7.636   5.263
   33   1H2*    C   3          1H2*        C   3  -6.177   6.338   5.268
   34   2H2*    C   3          2H2*        C   3  -7.052   5.567   3.989
   35   1H5*    A   4          1H5*        A   4  -9.320   6.482   1.618
   36   2H5*    A   4          2H5*        A   4 -10.849   5.598   1.524
   37    H4*    A   4           H4*        A   4  -9.817   5.073  -0.425
   38    H3*    A   4           H3*        A   4 -10.250   2.773   1.069
   39    H1*    A   4           H1*        A   4  -7.246   3.242  -0.826
   40    H8     A   4           H8         A   4  -6.153   3.518   2.775
   41   1H6     A   4          1H6         A   4  -1.162   4.396   1.994
   42   2H6     A   4          2H6         A   4  -0.483   4.655   0.375
   43    H2     A   4           H2         A   4  -3.054   4.535  -2.778
   44   1H2*    A   4          1H2*        A   4  -8.064   2.962   1.889
   45   2H2*    A   4          2H2*        A   4  -7.876   1.684   0.757
   46   1H5*    A   5          1H5*        A   5  -8.957   2.441  -3.686
   47   2H5*    A   5          2H5*        A   5  -9.913   1.068  -4.269
   48    H4*    A   5           H4*        A   5  -7.942   0.864  -5.448
   49    H3*    A   5           H3*        A   5  -8.586  -1.241  -4.388
   50    H1*    A   5           H1*        A   5  -5.112   0.055  -4.043
   51    H8     A   5           H8         A   5  -6.652   0.435  -0.625
   52   1H6     A   5          1H6         A   5  -2.166   1.300   1.807
   53   2H6     A   5          2H6         A   5  -0.666   1.584   0.884
   54    H2     A   5           H2         A   5  -0.847   1.534  -3.139
   55   1H2*    A   5          1H2*        A   5  -7.417  -0.787  -2.291
   56   2H2*    A   5          2H2*        A   5  -6.245  -1.858  -2.989
   57   1H5*    A   6          1H5*        A   6  -4.314  -0.581  -6.611
   58   2H5*    A   6          2H5*        A   6  -4.665  -1.655  -7.971
   59    H4*    A   6           H4*        A   6  -2.430  -1.498  -8.036
   60    H3*    A   6           H3*        A   6  -3.215  -3.985  -7.811
   61    H1*    A   6           H1*        A   6  -0.392  -2.801  -5.400
   62    H8     A   6           H8         A   6  -3.869  -3.042  -3.703
   63   1H6     A   6          1H6         A   6  -2.162  -1.856   0.994
   64   2H6     A   6          2H6         A   6  -0.481  -1.316   1.258
   65    H2     A   6           H2         A   6   2.010  -1.045  -1.963
   66   1H2*    A   6          1H2*        A   6  -3.170  -3.997  -5.546
   67   2H2*    A   6          2H2*        A   6  -1.645  -4.785  -5.760
   68   1H5*    A   7          1H5*        A   7   1.369  -3.303  -8.858
   69   2H5*    A   7          2H5*        A   7   1.993  -4.524  -9.968
   70    H4*    A   7           H4*        A   7   3.549  -3.919  -8.225
   71    H3*    A   7           H3*        A   7   3.477  -6.312  -8.991
   72    H1*    A   7           H1*        A   7   3.746  -5.029  -5.518
   73    H8     A   7           H8         A   7   0.356  -6.351  -6.061
   74   1H6     A   7          1H6         A   7  -1.487  -5.586  -1.121
   75   2H6     A   7          2H6         A   7  -0.373  -4.821   0.056
   76    H2     A   7           H2         A   7   3.335  -3.770  -1.082
   77   1H2*    A   7          1H2*        A   7   2.049  -6.966  -7.161
   78   2H2*    A   7          2H2*        A   7   3.562  -7.332  -6.352
   79   1H5*    C   8          1H5*        C   8   6.871  -4.639  -5.916
   80   2H5*    C   8          2H5*        C   8   8.407  -5.485  -6.162
   81    H4*    C   8           H4*        C   8   8.245  -5.013  -3.764
   82    H3*    C   8           H3*        C   8   9.116  -7.196  -4.382
   83    H1*    C   8           H1*        C   8   6.519  -6.282  -1.773
   84   1H4     C   8          1H4         C   8   0.764  -9.378  -2.861
   85   2H4     C   8          2H4         C   8   1.224  -9.051  -1.138
   86    H5     C   8           H5         C   8   2.429  -8.689  -4.512
   87    H6     C   8           H6         C   8   4.729  -7.600  -4.692
   88   1H2*    C   8          1H2*        C   8   6.952  -8.319  -4.093
   89   2H2*    C   8          2H2*        C   8   7.596  -8.461  -2.509
   90   1H5*    G   9          1H5*        G   9   8.879  -6.279   0.366
   91   2H5*    G   9          2H5*        G   9  10.582  -6.162   0.852
   92    H4*    G   9           H4*        G   9   9.735  -7.281   2.645
   93    H3*    G   9           H3*        G   9  11.381  -8.617   1.411
   94    H1*    G   9           H1*        G   9   8.097 -10.038   2.671
   95    H8     G   9           H8         G   9   8.008 -10.218  -1.188
   96    H1     G   9           H1         G   9   2.437 -11.206   1.871
   97   1H2     G   9          1H2         G   9   4.102 -10.476   4.493
   98   2H2     G   9          2H2         G   9   2.576 -10.947   3.697
   99   1H2*    G   9          1H2*        G   9   9.762  -9.867   0.086
  100   2H2*    G   9          2H2*        G   9   9.935 -11.120   1.273
  101   1H5*    G  10          1H5*        G  10   9.187  -9.749   5.370
  102   2H5*    G  10          2H5*        G  10  10.411 -10.364   6.476
  103    H4*    G  10           H4*        G  10   8.525 -10.978   7.340
  104    H3*    G  10           H3*        G  10  10.071 -13.300   6.715
  105    H1*    G  10           H1*        G  10   6.501 -13.347   6.066
  106    H8     G  10           H8         G  10   8.342 -12.610   2.880
  107    H1     G  10           H1         G  10   2.418 -15.104   2.221
  108   1H2     G  10          1H2         G  10   2.196 -14.538   5.370
  109   2H2     G  10          2H2         G  10   1.506 -15.131   3.833
  110    H3T    G  10           H3T        G  10   8.446 -14.477   7.843
  111   1H2*    G  10          1H2*        G  10   9.135 -13.445   4.685
  112   2H2*    G  10          2H2*        G  10   8.290 -14.754   5.485
  113   1H5*    C  11          1H5*        C  11  -5.751 -17.952   0.352
  114   2H5*    C  11          2H5*        C  11  -5.397 -19.495   1.133
  115    H4*    C  11           H4*        C  11  -4.777 -18.326   3.179
  116    H3*    C  11           H3*        C  11  -5.600 -15.830   1.771
  117    H1*    C  11           H1*        C  11  -2.419 -17.206   3.254
  118   1H4     C  11          1H4         C  11   1.626 -15.548  -1.645
  119   2H4     C  11          2H4         C  11   2.503 -15.662  -0.084
  120    H5     C  11           H5         C  11  -0.676 -15.814  -1.684
  121    H6     C  11           H6         C  11  -2.698 -16.255  -0.200
  122    H5T    C  11           H5T        C  11  -7.353 -17.607   2.056
  123   1H2*    C  11          1H2*        C  11  -3.720 -15.087   1.620
  124   2H2*    C  11          2H2*        C  11  -3.363 -15.066   3.321
  125   1H5*    C  12          1H5*        C  12  -3.910 -14.945   5.602
  126   2H5*    C  12          2H5*        C  12  -5.069 -14.060   6.585
  127    H4*    C  12           H4*        C  12  -3.157 -13.279   7.024
  128    H3*    C  12           H3*        C  12  -4.842 -11.186   6.090
  129    H1*    C  12           H1*        C  12  -1.250 -11.165   5.382
  130   1H4     C  12          1H4         C  12  -0.071 -13.141  -0.800
  131   2H4     C  12          2H4         C  12   1.325 -12.262  -0.090
  132    H5     C  12           H5         C  12  -1.983 -13.383   0.437
  133    H6     C  12           H6         C  12  -3.090 -12.841   2.641
  134   1H2*    C  12          1H2*        C  12  -3.899 -11.364   4.008
  135   2H2*    C  12          2H2*        C  12  -3.157  -9.892   4.595
  136   1H5*    G  13          1H5*        G  13  -0.903 -10.430   8.739
  137   2H5*    G  13          2H5*        G  13  -1.122  -9.037   9.800
  138    H4*    G  13           H4*        G  13   1.226  -9.321   9.045
  139    H3*    G  13           H3*        G  13   0.393  -6.992   9.526
  140    H1*    G  13           H1*        G  13   2.186  -8.029   6.415
  141    H8     G  13           H8         G  13  -1.452  -8.135   5.341
  142    H1     G  13           H1         G  13   2.980  -7.607   0.687
  143   1H2     G  13          1H2         G  13   4.990  -7.271   3.271
  144   2H2     G  13          2H2         G  13   4.770  -7.338   1.497
  145   1H2*    G  13          1H2*        G  13  -0.396  -6.653   7.207
  146   2H2*    G  13          2H2*        G  13   1.176  -5.822   7.152
  147   1H5*    T  14          1H5*        T  14   4.433  -7.275   6.850
  148   2H5*    T  14          2H5*        T  14   5.579  -6.714   8.078
  149    H4*    T  14           H4*        T  14   6.547  -6.090   6.233
  150    H3*    T  14           H3*        T  14   5.725  -3.945   7.695
  151   1H2*    T  14          1H2*        T  14   3.959  -3.555   6.525
  152   2H2*    T  14          2H2*        T  14   4.949  -2.403   5.670
  153    H1*    T  14           H1*        T  14   5.519  -3.939   3.961
  154    H3     T  14           H3         T  14   2.041  -4.267   0.945
  155   1H5M    T  14          1H5M        T  14  -0.603  -5.405   4.936
  156   2H5M    T  14          2H5M        T  14   0.046  -4.113   5.954
  157   3H5M    T  14          3H5M        T  14  -0.972  -3.716   4.553
  158    H6     T  14           H6         T  14   2.280  -4.295   5.720
  159   1H5*    T  15          1H5*        T  15   8.432  -3.527   3.948
  160   2H5*    T  15          2H5*        T  15   9.662  -2.269   4.078
  161    H4*    T  15           H4*        T  15   9.011  -2.595   1.874
  162    H3*    T  15           H3*        T  15   9.211  -0.007   2.725
  163   1H2*    T  15          1H2*        T  15   6.922   0.085   3.254
  164   2H2*    T  15          2H2*        T  15   6.908   0.925   1.727
  165    H1*    T  15           H1*        T  15   6.436  -1.299   0.552
  166    H3     T  15           H3         T  15   1.968  -1.098   0.481
  167   1H5M    T  15          1H5M        T  15   2.169  -1.689   5.312
  168   2H5M    T  15          2H5M        T  15   1.904   0.038   5.038
  169   3H5M    T  15          3H5M        T  15   3.484  -0.531   5.617
  170    H6     T  15           H6         T  15   5.140  -1.026   4.061
  171   1H5*    T  16          1H5*        T  16   7.238  -0.650  -1.430
  172   2H5*    T  16          2H5*        T  16   8.538  -0.027  -2.439
  173    H4*    T  16           H4*        T  16   6.845   0.065  -3.695
  174    H3*    T  16           H3*        T  16   7.835   2.396  -3.494
  175   1H2*    T  16          1H2*        T  16   6.080   3.030  -2.010
  176   2H2*    T  16          2H2*        T  16   5.386   3.789  -3.371
  177    H1*    T  16           H1*        T  16   4.148   1.768  -3.788
  178    H3     T  16           H3         T  16   0.570   2.183  -0.966
  179   1H5M    T  16          1H5M        T  16   4.876   1.505   2.073
  180   2H5M    T  16          2H5M        T  16   4.505   3.230   2.103
  181   3H5M    T  16          3H5M        T  16   3.350   2.052   2.768
  182    H6     T  16           H6         T  16   5.329   1.835  -0.475
  183   1H5*    T  17          1H5*        T  17   4.311   1.781  -6.628
  184   2H5*    T  17          2H5*        T  17   4.563   2.689  -8.130
  185    H4*    T  17           H4*        T  17   2.279   2.759  -7.432
  186    H3*    T  17           H3*        T  17   3.775   5.257  -7.448
  187   1H2*    T  17          1H2*        T  17   2.765   6.108  -5.746
  188   2H2*    T  17          2H2*        T  17   1.220   6.163  -6.486
  189    H1*    T  17           H1*        T  17   0.776   3.747  -5.641
  190    H3     T  17           H3         T  17  -0.417   4.964  -1.445
  191   1H5M    T  17          1H5M        T  17   4.818   6.042  -2.091
  192   2H5M    T  17          2H5M        T  17   3.979   6.464  -0.587
  193   3H5M    T  17          3H5M        T  17   4.530   4.797  -0.858
  194    H6     T  17           H6         T  17   3.667   5.056  -3.930
  195   1H5*    G  18          1H5*        G  18  -0.697   4.629  -8.060
  196   2H5*    G  18          2H5*        G  18  -1.110   5.162  -9.699
  197    H4*    G  18           H4*        G  18  -2.968   5.351  -8.477
  198    H3*    G  18           H3*        G  18  -2.190   7.701  -9.629
  199    H1*    G  18           H1*        G  18  -3.677   7.466  -6.221
  200    H8     G  18           H8         G  18   0.087   7.759  -5.779
  201    H1     G  18           H1         G  18  -3.463   7.508  -0.393
  202   1H2     G  18          1H2         G  18  -5.936   7.403  -2.567
  203   2H2     G  18          2H2         G  18  -5.378   7.412  -0.873
  204   1H2*    G  18          1H2*        G  18  -1.149   8.409  -7.656
  205   2H2*    G  18          2H2*        G  18  -2.586   9.360  -7.553
  206   1H5*    C  19          1H5*        C  19  -6.663   7.384  -7.732
  207   2H5*    C  19          2H5*        C  19  -7.851   8.272  -8.711
  208    H4*    C  19           H4*        C  19  -8.274   8.822  -6.337
  209    H3*    C  19           H3*        C  19  -7.568  10.832  -8.103
  210    H1*    C  19           H1*        C  19  -7.049   9.951  -4.397
  211   1H4     C  19          1H4         C  19  -0.635  10.978  -3.576
  212   2H4     C  19          2H4         C  19  -1.522  11.012  -2.016
  213    H5     C  19           H5         C  19  -1.871  10.725  -5.564
  214    H6     C  19           H6         C  19  -4.092  10.457  -6.513
  215   1H2*    C  19          1H2*        C  19  -6.056  11.806  -6.540
  216   2H2*    C  19          2H2*        C  19  -7.361  12.059  -5.517
  217   1H5*    C  20          1H5*        C  20 -10.011  11.387  -4.196
  218   2H5*    C  20          2H5*        C  20 -11.279  12.618  -4.301
  219    H4*    C  20           H4*        C  20 -10.266  12.977  -2.293
  220    H3*    C  20           H3*        C  20  -9.187  14.956  -4.161
  221    H1*    C  20           H1*        C  20  -7.948  13.433  -0.938
  222   1H4     C  20          1H4         C  20  -2.188  14.183  -4.161
  223   2H4     C  20          2H4         C  20  -1.872  13.956  -2.410
  224    H5     C  20           H5         C  20  -4.538  14.163  -5.007
  225    H6     C  20           H6         C  20  -6.661  13.942  -4.368
  226    H3T    C  20           H3T        C  20 -10.464  16.367  -2.751
  227   1H2*    C  20          1H2*        C  20  -7.543  15.612  -3.079
  228   2H2*    C  20          2H2*        C  20  -8.325  15.811  -1.587
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   2.634  16.421   3.677
    2   2H5*    G   1          2H5*        G   1   1.949  17.996   4.089
    3    H4*    G   1           H4*        G   1   0.537  16.984   5.759
    4    H3*    G   1           H3*        G   1   1.931  14.659   6.113
    5    H1*    G   1           H1*        G   1  -1.048  14.392   3.905
    6    H8     G   1           H8         G   1   2.118  14.550   1.871
    7    H1     G   1           H1         G   1  -3.076  14.481  -1.862
    8   1H2     G   1          1H2         G   1  -4.362  14.590  -1.223
    9   2H2     G   1          2H2         G   1  -4.966  14.748   0.389
   10    H5T    G   1           H5T        G   1   3.945  17.566   5.227
   11   1H2*    G   1          1H2*        G   1   1.911  14.257   3.932
   12   2H2*    G   1          2H2*        G   1   0.800  13.046   4.459
   13   1H5*    G   2          1H5*        G   2  -2.791  14.394   6.853
   14   2H5*    G   2          2H5*        G   2  -2.925  13.764   8.500
   15    H4*    G   2           H4*        G   2  -4.707  12.946   7.392
   16    H3*    G   2           H3*        G   2  -3.240  10.947   8.533
   17    H1*    G   2           H1*        G   2  -4.596  10.623   5.041
   18    H8     G   2           H8         G   2  -0.819  11.092   4.733
   19    H1     G   2           H1         G   2  -4.011  11.181  -0.846
   20   1H2     G   2          1H2         G   2  -6.626  10.926   1.031
   21   2H2     G   2          2H2         G   2  -5.867  11.054  -0.580
   22   1H2*    G   2          1H2*        G   2  -1.957  10.685   6.581
   23   2H2*    G   2          2H2*        G   2  -2.999   9.307   6.472
   24   1H5*    C   3          1H5*        C   3  -7.240  10.286   6.348
   25   2H5*    C   3          2H5*        C   3  -8.265   9.126   7.204
   26    H4*    C   3           H4*        C   3  -8.711   9.017   4.885
   27    H3*    C   3           H3*        C   3  -7.978   6.756   6.214
   28    H1*    C   3           H1*        C   3  -7.153   7.887   2.677
   29   1H4     C   3          1H4         C   3  -0.580   7.720   2.664
   30   2H4     C   3          2H4         C   3  -1.299   7.662   1.015
   31    H5     C   3           H5         C   3  -2.135   7.741   4.550
   32    H6     C   3           H6         C   3  -4.496   7.728   5.151
   33   1H2*    C   3          1H2*        C   3  -6.026   6.380   5.172
   34   2H2*    C   3          2H2*        C   3  -6.965   5.648   3.914
   35   1H5*    A   4          1H5*        A   4  -9.414   6.611   1.911
   36   2H5*    A   4          2H5*        A   4 -10.871   5.623   1.760
   37    H4*    A   4           H4*        A   4  -9.832   5.424  -0.255
   38    H3*    A   4           H3*        A   4 -10.228   3.006   0.955
   39    H1*    A   4           H1*        A   4  -7.188   4.045  -0.975
   40    H8     A   4           H8         A   4  -6.114   3.636   2.685
   41   1H6     A   4          1H6         A   4  -1.110   4.625   1.975
   42   2H6     A   4          2H6         A   4  -0.454   4.958   0.352
   43    H2     A   4           H2         A   4  -2.978   4.931  -2.783
   44   1H2*    A   4          1H2*        A   4  -8.004   3.094   1.694
   45   2H2*    A   4          2H2*        A   4  -7.870   1.931   0.406
   46   1H5*    A   5          1H5*        A   5  -8.838   2.944  -3.867
   47   2H5*    A   5          2H5*        A   5  -9.831   1.614  -4.496
   48    H4*    A   5           H4*        A   5  -7.816   1.364  -5.619
   49    H3*    A   5           H3*        A   5  -8.595  -0.786  -4.572
   50    H1*    A   5           H1*        A   5  -5.075   0.390  -4.197
   51    H8     A   5           H8         A   5  -6.620   0.617  -0.788
   52   1H6     A   5          1H6         A   5  -2.176   1.483   1.758
   53   2H6     A   5          2H6         A   5  -0.674   1.822   0.852
   54    H2     A   5           H2         A   5  -0.821   1.896  -3.175
   55   1H2*    A   5          1H2*        A   5  -7.453  -0.385  -2.503
   56   2H2*    A   5          2H2*        A   5  -6.327  -1.498  -3.199
   57   1H5*    A   6          1H5*        A   6  -4.329  -0.091  -6.518
   58   2H5*    A   6          2H5*        A   6  -4.559  -1.100  -7.951
   59    H4*    A   6           H4*        A   6  -2.323  -0.874  -7.833
   60    H3*    A   6           H3*        A   6  -3.062  -3.386  -7.867
   61    H1*    A   6           H1*        A   6  -0.428  -2.357  -5.229
   62    H8     A   6           H8         A   6  -3.967  -2.726  -3.666
   63   1H6     A   6          1H6         A   6  -2.385  -1.801   1.201
   64   2H6     A   6          2H6         A   6  -0.690  -1.305   1.492
   65    H2     A   6           H2         A   6   1.853  -0.919  -1.605
   66   1H2*    A   6          1H2*        A   6  -3.171  -3.555  -5.593
   67   2H2*    A   6          2H2*        A   6  -1.632  -4.316  -5.788
   68   1H5*    A   7          1H5*        A   7   1.546  -2.395  -8.691
   69   2H5*    A   7          2H5*        A   7   2.296  -3.523  -9.820
   70    H4*    A   7           H4*        A   7   3.714  -2.944  -7.935
   71    H3*    A   7           H3*        A   7   3.803  -5.239  -8.851
   72    H1*    A   7           H1*        A   7   3.820  -4.204  -5.282
   73    H8     A   7           H8         A   7   0.516  -5.653  -6.241
   74   1H6     A   7          1H6         A   7  -1.618  -5.694  -1.297
   75   2H6     A   7          2H6         A   7  -0.549  -5.036  -0.012
   76    H2     A   7           H2         A   7   3.078  -3.680  -0.819
   77   1H2*    A   7          1H2*        A   7   2.384  -6.197  -7.099
   78   2H2*    A   7          2H2*        A   7   3.894  -6.437  -6.282
   79   1H5*    C   8          1H5*        C   8   6.843  -3.543  -5.568
   80   2H5*    C   8          2H5*        C   8   8.500  -4.110  -5.838
   81    H4*    C   8           H4*        C   8   8.252  -4.032  -3.415
   82    H3*    C   8           H3*        C   8   9.258  -6.146  -4.296
   83    H1*    C   8           H1*        C   8   6.703  -5.536  -1.616
   84   1H4     C   8          1H4         C   8   0.966  -8.540  -2.636
   85   2H4     C   8          2H4         C   8   1.332  -8.428  -0.889
   86    H5     C   8           H5         C   8   2.507  -7.793  -4.264
   87    H6     C   8           H6         C   8   4.799  -6.739  -4.500
   88   1H2*    C   8          1H2*        C   8   7.172  -7.360  -4.082
   89   2H2*    C   8          2H2*        C   8   7.908  -7.608  -2.542
   90   1H5*    G   9          1H5*        G   9   8.650  -5.811   0.751
   91   2H5*    G   9          2H5*        G   9  10.395  -5.810   1.089
   92    H4*    G   9           H4*        G   9   9.597  -7.017   2.836
   93    H3*    G   9           H3*        G   9  11.186  -8.278   1.338
   94    H1*    G   9           H1*        G   9   7.979  -9.769   2.687
   95    H8     G   9           H8         G   9   7.614  -9.352  -1.119
   96    H1     G   9           H1         G   9   2.374 -11.288   2.043
   97   1H2     G   9          1H2         G   9   4.170 -11.001   4.634
   98   2H2     G   9          2H2         G   9   2.623 -11.395   3.835
   99   1H2*    G   9          1H2*        G   9   9.492  -9.387   0.017
  100   2H2*    G   9          2H2*        G   9   9.741 -10.732   1.080
  101   1H5*    G  10          1H5*        G  10   9.949 -10.847   5.484
  102   2H5*    G  10          2H5*        G  10  11.263 -11.991   5.783
  103    H4*    G  10           H4*        G  10   9.332 -13.130   6.393
  104    H3*    G  10           H3*        G  10  10.728 -14.619   4.612
  105    H1*    G  10           H1*        G  10   7.072 -14.220   4.757
  106    H8     G  10           H8         G  10   8.381 -12.627   1.607
  107    H1     G  10           H1         G  10   2.385 -15.053   1.463
  108   1H2     G  10          1H2         G  10   2.762 -15.238   4.613
  109   2H2     G  10          2H2         G  10   1.793 -15.474   3.136
  110    H3T    G  10           H3T        G  10   9.211 -16.172   5.323
  111   1H2*    G  10          1H2*        G  10   9.458 -13.973   2.857
  112   2H2*    G  10          2H2*        G  10   8.624 -15.476   3.302
  113   1H5*    C  11          1H5*        C  11  -5.758 -18.331   0.531
  114   2H5*    C  11          2H5*        C  11  -5.283 -19.900   1.200
  115    H4*    C  11           H4*        C  11  -4.584 -18.803   3.260
  116    H3*    C  11           H3*        C  11  -5.510 -16.257   2.012
  117    H1*    C  11           H1*        C  11  -2.219 -17.657   3.229
  118   1H4     C  11          1H4         C  11   1.237 -15.640  -1.982
  119   2H4     C  11          2H4         C  11   2.321 -15.809  -0.568
  120    H5     C  11           H5         C  11  -1.024 -15.951  -1.783
  121    H6     C  11           H6         C  11  -2.858 -16.512  -0.132
  122    H5T    C  11           H5T        C  11  -7.548 -19.463   1.548
  123   1H2*    C  11          1H2*        C  11  -3.667 -15.451   1.827
  124   2H2*    C  11          2H2*        C  11  -3.217 -15.553   3.500
  125   1H5*    C  12          1H5*        C  12  -3.722 -15.503   5.839
  126   2H5*    C  12          2H5*        C  12  -4.874 -14.684   6.887
  127    H4*    C  12           H4*        C  12  -2.961 -13.892   7.309
  128    H3*    C  12           H3*        C  12  -4.697 -11.773   6.492
  129    H1*    C  12           H1*        C  12  -1.142 -11.697   5.686
  130   1H4     C  12          1H4         C  12   0.032 -13.263  -0.631
  131   2H4     C  12          2H4         C  12   1.356 -12.371   0.203
  132    H5     C  12           H5         C  12  -1.965 -13.682   0.650
  133    H6     C  12           H6         C  12  -3.019 -13.292   2.915
  134   1H2*    C  12          1H2*        C  12  -3.832 -11.869   4.382
  135   2H2*    C  12          2H2*        C  12  -3.087 -10.412   4.999
  136   1H5*    G  13          1H5*        G  13  -0.631 -10.986   8.907
  137   2H5*    G  13          2H5*        G  13  -0.800  -9.641  10.038
  138    H4*    G  13           H4*        G  13   1.475  -9.848   9.094
  139    H3*    G  13           H3*        G  13   0.615  -7.545   9.708
  140    H1*    G  13           H1*        G  13   2.222  -8.445   6.405
  141    H8     G  13           H8         G  13  -1.495  -8.651   5.739
  142    H1     G  13           H1         G  13   2.339  -7.875   0.648
  143   1H2     G  13          1H2         G  13   3.677  -7.614   0.910
  144   2H2     G  13          2H2         G  13   4.730  -7.409   2.243
  145   1H2*    G  13          1H2*        G  13  -0.313  -7.154   7.480
  146   2H2*    G  13          2H2*        G  13   1.207  -6.271   7.312
  147   1H5*    T  14          1H5*        T  14   4.398  -7.857   6.746
  148   2H5*    T  14          2H5*        T  14   5.634  -7.303   7.884
  149    H4*    T  14           H4*        T  14   6.497  -6.685   5.946
  150    H3*    T  14           H3*        T  14   5.851  -4.587   7.518
  151   1H2*    T  14          1H2*        T  14   4.017  -4.084   6.483
  152   2H2*    T  14          2H2*        T  14   5.030  -2.953   5.626
  153    H1*    T  14           H1*        T  14   5.401  -4.414   3.837
  154    H3     T  14           H3         T  14   1.828  -4.533   0.999
  155   1H5M    T  14          1H5M        T  14  -0.742  -5.848   4.934
  156   2H5M    T  14          2H5M        T  14   0.031  -4.757   6.089
  157   3H5M    T  14          3H5M        T  14  -1.008  -4.102   4.812
  158    H6     T  14           H6         T  14   2.267  -4.792   5.747
  159   1H5*    T  15          1H5*        T  15   8.390  -4.271   3.604
  160   2H5*    T  15          2H5*        T  15   9.718  -3.108   3.723
  161    H4*    T  15           H4*        T  15   8.895  -3.229   1.525
  162    H3*    T  15           H3*        T  15   9.337  -0.684   2.487
  163   1H2*    T  15          1H2*        T  15   7.118  -0.500   3.236
  164   2H2*    T  15          2H2*        T  15   7.074   0.419   1.757
  165    H1*    T  15           H1*        T  15   6.388  -1.658   0.513
  166    H3     T  15           H3         T  15   1.908  -1.380   0.641
  167   1H5M    T  15          1H5M        T  15   3.623  -1.035   5.740
  168   2H5M    T  15          2H5M        T  15   2.291  -2.177   5.432
  169   3H5M    T  15          3H5M        T  15   2.030  -0.443   5.239
  170    H6     T  15           H6         T  15   5.233  -1.455   4.088
  171   1H5*    T  16          1H5*        T  16   7.051  -1.267  -1.564
  172   2H5*    T  16          2H5*        T  16   8.339  -0.726  -2.633
  173    H4*    T  16           H4*        T  16   6.558  -0.481  -3.816
  174    H3*    T  16           H3*        T  16   7.779   1.770  -3.700
  175   1H2*    T  16          1H2*        T  16   6.157   2.541  -2.105
  176   2H2*    T  16          2H2*        T  16   5.484   3.341  -3.463
  177    H1*    T  16           H1*        T  16   4.087   1.440  -3.815
  178    H3     T  16           H3         T  16   0.636   2.308  -0.934
  179   1H5M    T  16          1H5M        T  16   5.098   1.324   1.926
  180   2H5M    T  16          2H5M        T  16   4.390   2.911   2.254
  181   3H5M    T  16          3H5M        T  16   3.513   1.434   2.711
  182    H6     T  16           H6         T  16   5.324   1.376  -0.521
  183   1H5*    T  17          1H5*        T  17   4.143   1.288  -6.649
  184   2H5*    T  17          2H5*        T  17   4.419   2.066  -8.215
  185    H4*    T  17           H4*        T  17   2.229   2.376  -7.507
  186    H3*    T  17           H3*        T  17   3.895   4.795  -7.604
  187   1H2*    T  17          1H2*        T  17   2.938   5.770  -5.953
  188   2H2*    T  17          2H2*        T  17   1.419   5.919  -6.715
  189    H1*    T  17           H1*        T  17   0.799   3.533  -5.752
  190    H3     T  17           H3         T  17  -0.367   5.105  -1.653
  191   1H5M    T  17          1H5M        T  17   4.600   4.487  -1.099
  192   2H5M    T  17          2H5M        T  17   4.921   5.800  -2.253
  193   3H5M    T  17          3H5M        T  17   4.123   6.155  -0.711
  194    H6     T  17           H6         T  17   3.742   4.730  -4.079
  195   1H5*    G  18          1H5*        G  18  -0.478   4.165  -8.128
  196   2H5*    G  18          2H5*        G  18  -0.977   4.618  -9.764
  197    H4*    G  18           H4*        G  18  -2.816   4.817  -8.532
  198    H3*    G  18           H3*        G  18  -2.128   7.143  -9.737
  199    H1*    G  18           H1*        G  18  -3.543   6.964  -6.283
  200    H8     G  18           H8         G  18   0.214   7.438  -5.950
  201    H1     G  18           H1         G  18  -3.256   8.119  -0.550
  202   1H2     G  18          1H2         G  18  -5.731   7.511  -2.561
  203   2H2     G  18          2H2         G  18  -5.123   7.874  -0.924
  204   1H2*    G  18          1H2*        G  18  -1.089   7.977  -7.804
  205   2H2*    G  18          2H2*        G  18  -2.585   8.854  -7.692
  206   1H5*    C  19          1H5*        C  19  -6.226   6.638  -7.236
  207   2H5*    C  19          2H5*        C  19  -7.477   7.179  -8.371
  208    H4*    C  19           H4*        C  19  -8.377   7.760  -6.291
  209    H3*    C  19           H3*        C  19  -8.231   9.732  -7.901
  210    H1*    C  19           H1*        C  19  -7.420  10.055  -4.295
  211   1H4     C  19          1H4         C  19  -0.989  11.410  -3.847
  212   2H4     C  19          2H4         C  19  -1.901  11.834  -2.359
  213    H5     C  19           H5         C  19  -2.135  10.410  -5.609
  214    H6     C  19           H6         C  19  -4.375   9.584  -6.373
  215   1H2*    C  19          1H2*        C  19  -6.327  10.650  -6.916
  216   2H2*    C  19          2H2*        C  19  -7.617  11.297  -5.940
  217   1H5*    C  20          1H5*        C  20 -10.492  11.728  -4.194
  218   2H5*    C  20          2H5*        C  20 -11.744  12.678  -5.002
  219    H4*    C  20           H4*        C  20 -10.717  14.114  -3.736
  220    H3*    C  20           H3*        C  20  -9.421  14.484  -6.390
  221    H1*    C  20           H1*        C  20  -8.425  15.273  -2.878
  222   1H4     C  20          1H4         C  20  -2.437  14.138  -5.385
  223   2H4     C  20          2H4         C  20  -2.318  14.994  -3.815
  224    H5     C  20           H5         C  20  -4.703  13.431  -6.223
  225    H6     C  20           H6         C  20  -6.849  13.419  -5.747
  226    H3T    C  20           H3T        C  20 -10.605  16.508  -6.308
  227   1H2*    C  20          1H2*        C  20  -7.745  15.556  -5.849
  228   2H2*    C  20          2H2*        C  20  -8.523  16.697  -4.864
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   3.615  14.650   5.847
    2   2H5*    G   1          2H5*        G   1   3.333  16.383   6.064
    3    H4*    G   1           H4*        G   1   1.238  15.824   7.288
    4    H3*    G   1           H3*        G   1   1.872  13.469   7.841
    5    H1*    G   1           H1*        G   1  -0.563  14.381   5.130
    6    H8     G   1           H8         G   1   2.663  13.766   3.291
    7    H1     G   1           H1         G   1  -2.623  13.810  -0.354
    8   1H2     G   1          1H2         G   1  -3.896  13.919   0.350
    9   2H2     G   1          2H2         G   1  -4.400  14.046   1.996
   10    H5T    G   1           H5T        G   1   4.685  15.483   7.745
   11   1H2*    G   1          1H2*        G   1   2.040  12.757   5.467
   12   2H2*    G   1          2H2*        G   1   0.445  12.127   5.832
   13   1H5*    G   2          1H5*        G   2  -3.006  14.072   7.043
   14   2H5*    G   2          2H5*        G   2  -3.586  13.618   8.657
   15    H4*    G   2           H4*        G   2  -5.259  12.909   7.350
   16    H3*    G   2           H3*        G   2  -4.176  10.851   8.661
   17    H1*    G   2           H1*        G   2  -5.011  10.527   4.982
   18    H8     G   2           H8         G   2  -1.235  10.854   5.379
   19    H1     G   2           H1         G   2  -3.264  10.558  -0.679
   20   1H2     G   2          1H2         G   2  -4.624  10.540  -0.882
   21   2H2     G   2          2H2         G   2  -6.086  10.575   0.007
   22   1H2*    G   2          1H2*        G   2  -2.672  10.376   6.920
   23   2H2*    G   2          2H2*        G   2  -3.806   9.116   6.631
   24   1H5*    C   3          1H5*        C   3  -7.951  10.428   5.974
   25   2H5*    C   3          2H5*        C   3  -9.127   9.321   6.695
   26    H4*    C   3           H4*        C   3  -9.359   9.227   4.345
   27    H3*    C   3           H3*        C   3  -8.955   6.991   5.694
   28    H1*    C   3           H1*        C   3  -7.616   7.987   2.284
   29   1H4     C   3          1H4         C   3  -1.118   7.270   3.098
   30   2H4     C   3          2H4         C   3  -1.652   7.201   1.374
   31    H5     C   3           H5         C   3  -2.855   7.525   4.769
   32    H6     C   3           H6         C   3  -5.301   7.755   5.075
   33   1H2*    C   3          1H2*        C   3  -6.887   6.474   4.921
   34   2H2*    C   3          2H2*        C   3  -7.685   5.765   3.557
   35   1H5*    A   4          1H5*        A   4  -9.634   6.799   1.119
   36   2H5*    A   4          2H5*        A   4 -11.201   6.025   0.856
   37    H4*    A   4           H4*        A   4 -10.083   5.451  -0.993
   38    H3*    A   4           H3*        A   4 -10.651   3.126   0.452
   39    H1*    A   4           H1*        A   4  -7.554   3.566  -1.306
   40    H8     A   4           H8         A   4  -6.636   3.752   2.361
   41   1H6     A   4          1H6         A   4  -1.590   4.527   1.881
   42   2H6     A   4          2H6         A   4  -0.821   4.776   0.296
   43    H2     A   4           H2         A   4  -3.169   4.731  -2.992
   44   1H2*    A   4          1H2*        A   4  -8.518   3.243   1.366
   45   2H2*    A   4          2H2*        A   4  -8.313   1.986   0.205
   46   1H5*    A   5          1H5*        A   5  -8.933   2.812  -4.078
   47   2H5*    A   5          2H5*        A   5  -9.906   1.536  -4.829
   48    H4*    A   5           H4*        A   5  -7.863   1.172  -5.755
   49    H3*    A   5           H3*        A   5  -8.719  -0.911  -4.601
   50    H1*    A   5           H1*        A   5  -5.208   0.257  -4.213
   51    H8     A   5           H8         A   5  -6.759   0.658  -0.816
   52   1H6     A   5          1H6         A   5  -2.257   1.435   1.648
   53   2H6     A   5          2H6         A   5  -0.764   1.716   0.712
   54    H2     A   5           H2         A   5  -0.929   1.732  -3.286
   55   1H2*    A   5          1H2*        A   5  -7.605  -0.419  -2.509
   56   2H2*    A   5          2H2*        A   5  -6.448  -1.568  -3.130
   57   1H5*    A   6          1H5*        A   6  -4.351  -0.326  -6.373
   58   2H5*    A   6          2H5*        A   6  -4.673  -1.332  -7.793
   59    H4*    A   6           H4*        A   6  -2.471  -1.248  -7.785
   60    H3*    A   6           H3*        A   6  -3.374  -3.730  -7.535
   61    H1*    A   6           H1*        A   6  -0.471  -2.619  -5.216
   62    H8     A   6           H8         A   6  -3.883  -2.705  -3.372
   63   1H6     A   6          1H6         A   6  -1.817  -1.655   1.286
   64   2H6     A   6          2H6         A   6  -0.088  -1.222   1.415
   65    H2     A   6           H2         A   6   2.185  -1.068  -1.920
   66   1H2*    A   6          1H2*        A   6  -3.292  -3.716  -5.260
   67   2H2*    A   6          2H2*        A   6  -1.806  -4.565  -5.500
   68   1H5*    A   7          1H5*        A   7   1.152  -3.220  -8.742
   69   2H5*    A   7          2H5*        A   7   1.749  -4.489  -9.814
   70    H4*    A   7           H4*        A   7   3.309  -3.863  -8.073
   71    H3*    A   7           H3*        A   7   3.169  -6.239  -8.799
   72    H1*    A   7           H1*        A   7   3.506  -4.934  -5.348
   73    H8     A   7           H8         A   7   0.062  -6.172  -5.884
   74   1H6     A   7          1H6         A   7  -1.609  -5.587  -0.801
   75   2H6     A   7          2H6         A   7  -0.397  -4.878   0.317
   76    H2     A   7           H2         A   7   3.220  -3.844  -0.922
   77   1H2*    A   7          1H2*        A   7   1.770  -6.901  -6.906
   78   2H2*    A   7          2H2*        A   7   3.290  -7.246  -6.146
   79   1H5*    C   8          1H5*        C   8   6.560  -4.599  -5.768
   80   2H5*    C   8          2H5*        C   8   8.110  -5.390  -6.089
   81    H4*    C   8           H4*        C   8   8.071  -5.059  -3.729
   82    H3*    C   8           H3*        C   8   8.739  -7.296  -4.458
   83    H1*    C   8           H1*        C   8   6.400  -6.219  -1.662
   84   1H4     C   8          1H4         C   8   0.468  -9.053  -2.264
   85   2H4     C   8          2H4         C   8   1.040  -8.781  -0.573
   86    H5     C   8           H5         C   8   2.013  -8.419  -4.058
   87    H6     C   8           H6         C   8   4.321  -7.422  -4.407
   88   1H2*    C   8          1H2*        C   8   6.525  -8.275  -4.002
   89   2H2*    C   8          2H2*        C   8   7.230  -8.483  -2.426
   90   1H5*    G   9          1H5*        G   9   8.957  -6.606   0.271
   91   2H5*    G   9          2H5*        G   9  10.698  -6.601   0.625
   92    H4*    G   9           H4*        G   9   9.834  -7.744   2.421
   93    H3*    G   9           H3*        G   9  11.484  -9.073   1.045
   94    H1*    G   9           H1*        G   9   8.232 -10.489   2.350
   95    H8     G   9           H8         G   9   8.003 -10.422  -1.521
   96    H1     G   9           H1         G   9   2.542 -11.712   1.672
   97   1H2     G   9          1H2         G   9   4.344 -11.268   4.267
   98   2H2     G   9          2H2         G   9   2.770 -11.648   3.512
   99   1H2*    G   9          1H2*        G   9   9.824 -10.232  -0.268
  100   2H2*    G   9          2H2*        G   9  10.030 -11.525   0.864
  101   1H5*    G  10          1H5*        G  10   9.722 -10.409   5.226
  102   2H5*    G  10          2H5*        G  10  10.983 -11.235   6.138
  103    H4*    G  10           H4*        G  10   8.999 -11.755   7.003
  104    H3*    G  10           H3*        G  10  10.522 -14.089   6.368
  105    H1*    G  10           H1*        G  10   6.955 -14.067   5.525
  106    H8     G  10           H8         G  10   9.040 -13.066   2.507
  107    H1     G  10           H1         G  10   3.145 -15.367   1.267
  108   1H2     G  10          1H2         G  10   2.295 -15.562   2.400
  109   2H2     G  10          2H2         G  10   2.397 -15.339   4.110
  110    H3T    G  10           H3T        G  10   8.866 -15.274   7.392
  111   1H2*    G  10          1H2*        G  10   9.681 -14.118   4.287
  112   2H2*    G  10          2H2*        G  10   8.793 -15.457   4.979
  113   1H5*    C  11          1H5*        C  11  -5.369 -16.505  -0.450
  114   2H5*    C  11          2H5*        C  11  -4.911 -18.092   0.188
  115    H4*    C  11           H4*        C  11  -4.475 -17.054   2.386
  116    H3*    C  11           H3*        C  11  -5.554 -14.535   1.326
  117    H1*    C  11           H1*        C  11  -2.255 -15.772   2.659
  118   1H4     C  11          1H4         C  11   2.032 -14.448  -2.068
  119   2H4     C  11          2H4         C  11   2.907 -14.721  -0.534
  120    H5     C  11           H5         C  11  -0.250 -14.376  -2.155
  121    H6     C  11           H6         C  11  -2.345 -14.551  -0.721
  122    H5T    C  11           H5T        C  11  -7.221 -17.728   0.282
  123   1H2*    C  11          1H2*        C  11  -3.650 -13.751   1.013
  124   2H2*    C  11          2H2*        C  11  -3.342 -13.747   2.768
  125   1H5*    C  12          1H5*        C  12  -3.836 -14.727   5.631
  126   2H5*    C  12          2H5*        C  12  -4.914 -13.853   6.726
  127    H4*    C  12           H4*        C  12  -2.807 -13.272   7.331
  128    H3*    C  12           H3*        C  12  -4.317 -11.105   6.831
  129    H1*    C  12           H1*        C  12  -0.868 -11.152   5.652
  130   1H4     C  12          1H4         C  12  -0.488 -11.466  -0.828
  131   2H4     C  12          2H4         C  12   1.117 -11.714  -0.069
  132    H5     C  12           H5         C  12  -2.385 -11.347   0.538
  133    H6     C  12           H6         C  12  -3.212 -11.440   2.774
  134   1H2*    C  12          1H2*        C  12  -3.650 -11.037   4.702
  135   2H2*    C  12          2H2*        C  12  -2.678  -9.726   5.339
  136   1H5*    G  13          1H5*        G  13  -0.042 -10.772   9.413
  137   2H5*    G  13          2H5*        G  13  -0.159  -9.435  10.560
  138    H4*    G  13           H4*        G  13   2.127  -9.695   9.595
  139    H3*    G  13           H3*        G  13   1.420  -7.361  10.265
  140    H1*    G  13           H1*        G  13   2.810  -8.285   6.888
  141    H8     G  13           H8         G  13  -0.906  -8.019   6.457
  142    H1     G  13           H1         G  13   2.720  -8.234   1.118
  143   1H2     G  13          1H2         G  13   5.124  -8.125   3.240
  144   2H2     G  13          2H2         G  13   4.552  -8.202   1.550
  145   1H2*    G  13          1H2*        G  13   0.360  -6.965   8.113
  146   2H2*    G  13          2H2*        G  13   1.843  -6.083   7.862
  147   1H5*    T  14          1H5*        T  14   5.087  -7.929   6.775
  148   2H5*    T  14          2H5*        T  14   6.339  -7.331   7.868
  149    H4*    T  14           H4*        T  14   7.094  -6.769   5.908
  150    H3*    T  14           H3*        T  14   6.482  -4.546   7.436
  151   1H2*    T  14          1H2*        T  14   4.615  -4.165   6.458
  152   2H2*    T  14          2H2*        T  14   5.555  -3.039   5.521
  153    H1*    T  14           H1*        T  14   5.936  -4.596   3.780
  154    H3     T  14           H3         T  14   2.192  -4.652   1.063
  155   1H5M    T  14          1H5M        T  14  -0.565  -5.319   4.800
  156   2H5M    T  14          2H5M        T  14   0.602  -5.364   6.123
  157   3H5M    T  14          3H5M        T  14   0.046  -3.805   5.521
  158    H6     T  14           H6         T  14   2.846  -4.892   5.806
  159   1H5*    T  15          1H5*        T  15   8.826  -4.125   3.393
  160   2H5*    T  15          2H5*        T  15  10.101  -2.910   3.503
  161    H4*    T  15           H4*        T  15   9.273  -3.099   1.381
  162    H3*    T  15           H3*        T  15   9.561  -0.499   2.354
  163   1H2*    T  15          1H2*        T  15   7.330  -0.521   3.149
  164   2H2*    T  15          2H2*        T  15   7.154   0.479   1.730
  165    H1*    T  15           H1*        T  15   6.603  -1.611   0.394
  166    H3     T  15           H3         T  15   2.145  -1.463   0.706
  167   1H5M    T  15          1H5M        T  15   4.101  -1.186   5.730
  168   2H5M    T  15          2H5M        T  15   2.730  -2.295   5.488
  169   3H5M    T  15          3H5M        T  15   2.502  -0.550   5.322
  170    H6     T  15           H6         T  15   5.600  -1.603   4.011
  171   1H5*    T  16          1H5*        T  16   7.078  -0.757  -1.601
  172   2H5*    T  16          2H5*        T  16   8.412  -0.230  -2.614
  173    H4*    T  16           H4*        T  16   6.809   0.070  -3.866
  174    H3*    T  16           H3*        T  16   7.813   2.403  -3.470
  175   1H2*    T  16          1H2*        T  16   6.037   2.922  -1.971
  176   2H2*    T  16          2H2*        T  16   5.381   3.809  -3.273
  177    H1*    T  16           H1*        T  16   4.097   1.816  -3.858
  178    H3     T  16           H3         T  16   0.546   2.184  -0.980
  179   1H5M    T  16          1H5M        T  16   4.988   1.110   1.857
  180   2H5M    T  16          2H5M        T  16   4.381   2.727   2.240
  181   3H5M    T  16          3H5M        T  16   3.414   1.297   2.657
  182    H6     T  16           H6         T  16   5.289   1.543  -0.543
  183   1H5*    T  17          1H5*        T  17   4.407   2.014  -6.648
  184   2H5*    T  17          2H5*        T  17   4.700   2.962  -8.116
  185    H4*    T  17           H4*        T  17   2.423   3.038  -7.505
  186    H3*    T  17           H3*        T  17   3.933   5.533  -7.307
  187   1H2*    T  17          1H2*        T  17   2.838   6.294  -5.619
  188   2H2*    T  17          2H2*        T  17   1.338   6.405  -6.447
  189    H1*    T  17           H1*        T  17   0.831   3.947  -5.749
  190    H3     T  17           H3         T  17  -0.585   4.955  -1.560
  191   1H5M    T  17          1H5M        T  17   4.292   4.626  -0.686
  192   2H5M    T  17          2H5M        T  17   4.723   5.885  -1.863
  193   3H5M    T  17          3H5M        T  17   3.806   6.313  -0.409
  194    H6     T  17           H6         T  17   3.633   5.116  -3.820
  195   1H5*    G  18          1H5*        G  18  -0.373   4.980  -8.099
  196   2H5*    G  18          2H5*        G  18  -0.760   5.508  -9.743
  197    H4*    G  18           H4*        G  18  -2.654   5.688  -8.610
  198    H3*    G  18           H3*        G  18  -1.818   8.099  -9.598
  199    H1*    G  18           H1*        G  18  -3.501   7.670  -6.315
  200    H8     G  18           H8         G  18   0.217   7.942  -5.612
  201    H1     G  18           H1         G  18  -3.712   7.662  -0.493
  202   1H2     G  18          1H2         G  18  -6.015   7.583  -2.838
  203   2H2     G  18          2H2         G  18  -5.583   7.578  -1.108
  204   1H2*    G  18          1H2*        G  18  -0.905   8.717  -7.537
  205   2H2*    G  18          2H2*        G  18  -2.364   9.644  -7.476
  206   1H5*    C  19          1H5*        C  19  -6.333   7.637  -7.954
  207   2H5*    C  19          2H5*        C  19  -7.499   8.499  -8.984
  208    H4*    C  19           H4*        C  19  -8.078   9.022  -6.654
  209    H3*    C  19           H3*        C  19  -7.285  11.070  -8.329
  210    H1*    C  19           H1*        C  19  -7.024  10.130  -4.614
  211   1H4     C  19          1H4         C  19  -0.714  11.106  -3.231
  212   2H4     C  19          2H4         C  19  -1.643  11.140  -1.708
  213    H5     C  19           H5         C  19  -1.782  10.897  -5.326
  214    H6     C  19           H6         C  19  -3.919  10.672  -6.447
  215   1H2*    C  19          1H2*        C  19  -5.877  12.020  -6.647
  216   2H2*    C  19          2H2*        C  19  -7.260  12.257  -5.721
  217   1H5*    C  20          1H5*        C  20 -10.007  11.546  -4.622
  218   2H5*    C  20          2H5*        C  20 -11.275  12.768  -4.802
  219    H4*    C  20           H4*        C  20 -10.406  13.111  -2.727
  220    H3*    C  20           H3*        C  20  -9.218  15.131  -4.487
  221    H1*    C  20           H1*        C  20  -8.197  13.555  -1.199
  222   1H4     C  20          1H4         C  20  -2.235  14.376  -4.025
  223   2H4     C  20          2H4         C  20  -2.029  14.120  -2.262
  224    H5     C  20           H5         C  20  -4.518  14.369  -5.017
  225    H6     C  20           H6         C  20  -6.675  14.142  -4.526
  226    H3T    C  20           H3T        C  20 -11.031  15.508  -2.320
  227   1H2*    C  20          1H2*        C  20  -7.660  15.774  -3.276
  228   2H2*    C  20          2H2*        C  20  -8.552  15.947  -1.845
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   1.022  18.516   2.948
    2   2H5*    G   1          2H5*        G   1  -0.346  19.588   2.625
    3    H4*    G   1           H4*        G   1  -1.568  18.558   4.460
    4    H3*    G   1           H3*        G   1   0.459  17.641   5.534
    5    H1*    G   1           H1*        G   1  -1.946  15.453   3.565
    6    H8     G   1           H8         G   1   1.340  15.046   1.850
    7    H1     G   1           H1         G   1  -3.678  14.480  -2.111
    8   1H2     G   1          1H2         G   1  -5.002  14.786  -1.541
    9   2H2     G   1          2H2         G   1  -5.583  15.290   0.013
   10    H5T    G   1           H5T        G   1   1.256  20.573   4.026
   11   1H2*    G   1          1H2*        G   1   1.033  16.172   3.721
   12   2H2*    G   1          2H2*        G   1   0.255  14.906   4.662
   13   1H5*    G   2          1H5*        G   2  -3.865  16.154   6.565
   14   2H5*    G   2          2H5*        G   2  -3.975  15.455   8.178
   15    H4*    G   2           H4*        G   2  -5.659  14.668   6.839
   16    H3*    G   2           H3*        G   2  -4.432  12.669   8.323
   17    H1*    G   2           H1*        G   2  -5.226  12.166   4.629
   18    H8     G   2           H8         G   2  -1.449  12.710   4.930
   19    H1     G   2           H1         G   2  -3.813  11.425  -0.893
   20   1H2     G   2          1H2         G   2  -5.197  11.400  -1.020
   21   2H2     G   2          2H2         G   2  -6.594  11.611  -0.056
   22   1H2*    G   2          1H2*        G   2  -2.865  12.380   6.605
   23   2H2*    G   2          2H2*        G   2  -3.877  10.984   6.457
   24   1H5*    C   3          1H5*        C   3  -7.990  11.896   5.490
   25   2H5*    C   3          2H5*        C   3  -9.150  10.930   6.411
   26    H4*    C   3           H4*        C   3  -9.479  10.511   4.237
   27    H3*    C   3           H3*        C   3  -8.902   8.266   5.779
   28    H1*    C   3           H1*        C   3  -7.412   8.437   2.532
   29   1H4     C   3          1H4         C   3  -0.961   8.869   3.199
   30   2H4     C   3          2H4         C   3  -1.566   8.646   1.510
   31    H5     C   3           H5         C   3  -2.768   9.193   4.939
   32    H6     C   3           H6         C   3  -5.201   9.324   5.207
   33   1H2*    C   3          1H2*        C   3  -6.766   8.122   5.393
   34   2H2*    C   3          2H2*        C   3  -7.286   6.982   4.283
   35   1H5*    A   4          1H5*        A   4  -9.646   7.244   1.172
   36   2H5*    A   4          2H5*        A   4 -11.038   6.158   1.195
   37    H4*    A   4           H4*        A   4  -9.809   5.815  -0.663
   38    H3*    A   4           H3*        A   4 -10.244   3.380   0.908
   39    H1*    A   4           H1*        A   4  -7.186   4.066  -0.861
   40    H8     A   4           H8         A   4  -6.408   5.114   2.750
   41   1H6     A   4          1H6         A   4  -1.324   5.824   2.141
   42   2H6     A   4          2H6         A   4  -0.515   5.430   0.605
   43    H2     A   4           H2         A   4  -2.840   3.926  -2.416
   44   1H2*    A   4          1H2*        A   4  -8.101   3.664   1.846
   45   2H2*    A   4          2H2*        A   4  -7.796   2.415   0.759
   46   1H5*    A   5          1H5*        A   5  -8.416   3.037  -3.446
   47   2H5*    A   5          2H5*        A   5  -9.414   1.791  -4.224
   48    H4*    A   5           H4*        A   5  -7.359   1.476  -5.184
   49    H3*    A   5           H3*        A   5  -8.270  -0.676  -4.173
   50    H1*    A   5           H1*        A   5  -4.758   0.385  -3.684
   51    H8     A   5           H8         A   5  -6.357   0.977  -0.302
   52   1H6     A   5          1H6         A   5  -1.790   1.704   2.221
   53   2H6     A   5          2H6         A   5  -0.275   1.719   1.275
   54    H2     A   5           H2         A   5  -0.433   1.198  -2.727
   55   1H2*    A   5          1H2*        A   5  -7.171  -0.335  -2.027
   56   2H2*    A   5          2H2*        A   5  -6.070  -1.477  -2.733
   57   1H5*    A   6          1H5*        A   6  -3.994  -0.043  -6.100
   58   2H5*    A   6          2H5*        A   6  -4.348  -0.931  -7.590
   59    H4*    A   6           H4*        A   6  -2.104  -0.865  -7.587
   60    H3*    A   6           H3*        A   6  -2.987  -3.333  -7.665
   61    H1*    A   6           H1*        A   6  -0.179  -2.548  -5.084
   62    H8     A   6           H8         A   6  -3.728  -2.800  -3.481
   63   1H6     A   6          1H6         A   6  -2.099  -2.002   1.368
   64   2H6     A   6          2H6         A   6  -0.387  -1.591   1.680
   65    H2     A   6           H2         A   6   2.182  -1.296  -1.438
   66   1H2*    A   6          1H2*        A   6  -2.990  -3.596  -5.419
   67   2H2*    A   6          2H2*        A   6  -1.500  -4.417  -5.705
   68   1H5*    A   7          1H5*        A   7   1.510  -2.409  -8.521
   69   2H5*    A   7          2H5*        A   7   2.229  -3.409  -9.787
   70    H4*    A   7           H4*        A   7   3.740  -3.066  -7.924
   71    H3*    A   7           H3*        A   7   3.719  -5.298  -9.040
   72    H1*    A   7           H1*        A   7   3.919  -4.547  -5.413
   73    H8     A   7           H8         A   7   0.550  -5.825  -6.200
   74   1H6     A   7          1H6         A   7  -1.317  -5.846  -1.162
   75   2H6     A   7          2H6         A   7  -0.172  -5.264   0.093
   76    H2     A   7           H2         A   7   3.491  -4.061  -0.880
   77   1H2*    A   7          1H2*        A   7   2.301  -6.281  -7.331
   78   2H2*    A   7          2H2*        A   7   3.833  -6.688  -6.592
   79   1H5*    C   8          1H5*        C   8   6.916  -3.914  -5.746
   80   2H5*    C   8          2H5*        C   8   8.548  -4.504  -6.112
   81    H4*    C   8           H4*        C   8   8.322  -4.612  -3.654
   82    H3*    C   8           H3*        C   8   9.291  -6.666  -4.777
   83    H1*    C   8           H1*        C   8   6.787  -6.254  -2.008
   84   1H4     C   8          1H4         C   8   0.935  -9.078  -3.212
   85   2H4     C   8          2H4         C   8   1.452  -8.934  -1.486
   86    H5     C   8           H5         C   8   2.596  -8.295  -4.855
   87    H6     C   8           H6         C   8   4.923  -7.289  -4.990
   88   1H2*    C   8          1H2*        C   8   7.223  -7.907  -4.601
   89   2H2*    C   8          2H2*        C   8   7.982  -8.260  -3.099
   90   1H5*    G   9          1H5*        G   9   8.984  -6.527   0.140
   91   2H5*    G   9          2H5*        G   9  10.718  -6.576   0.514
   92    H4*    G   9           H4*        G   9   9.936  -7.779   2.233
   93    H3*    G   9           H3*        G   9  11.353  -9.117   0.716
   94    H1*    G   9           H1*        G   9   8.073 -10.417   2.142
   95    H8     G   9           H8         G   9   7.640 -10.019  -1.692
   96    H1     G   9           H1         G   9   2.364 -11.576   1.604
   97   1H2     G   9          1H2         G   9   4.243 -11.215   4.186
   98   2H2     G   9          2H2         G   9   2.657 -11.593   3.456
   99   1H2*    G   9          1H2*        G   9   9.536 -10.106  -0.558
  100   2H2*    G   9          2H2*        G   9   9.700 -11.485   0.484
  101   1H5*    G  10          1H5*        G  10   9.354 -10.589   4.620
  102   2H5*    G  10          2H5*        G  10  10.615 -11.357   5.581
  103    H4*    G  10           H4*        G  10   8.751 -11.976   6.487
  104    H3*    G  10           H3*        G  10  10.178 -14.283   5.564
  105    H1*    G  10           H1*        G  10   6.576 -14.154   5.112
  106    H8     G  10           H8         G  10   8.275 -13.103   1.935
  107    H1     G  10           H1         G  10   2.248 -15.362   1.313
  108   1H2     G  10          1H2         G  10   2.247 -15.240   4.514
  109   2H2     G  10          2H2         G  10   1.439 -15.599   2.964
  110    H3T    G  10           H3T        G  10   8.576 -15.511   6.662
  111   1H2*    G  10          1H2*        G  10   9.133 -14.202   3.581
  112   2H2*    G  10          2H2*        G  10   8.286 -15.556   4.301
  113   1H5*    C  11          1H5*        C  11  -6.018 -18.132  -0.232
  114   2H5*    C  11          2H5*        C  11  -5.652 -19.739   0.402
  115    H4*    C  11           H4*        C  11  -4.896 -18.755   2.492
  116    H3*    C  11           H3*        C  11  -5.733 -16.122   1.345
  117    H1*    C  11           H1*        C  11  -2.519 -17.687   2.527
  118   1H4     C  11          1H4         C  11   1.278 -15.628  -2.423
  119   2H4     C  11          2H4         C  11   2.244 -15.886  -0.934
  120    H5     C  11           H5         C  11  -1.022 -15.875  -2.355
  121    H6     C  11           H6         C  11  -2.966 -16.437  -0.808
  122    H5T    C  11           H5T        C  11  -7.500 -17.901   1.604
  123   1H2*    C  11          1H2*        C  11  -3.854 -15.401   1.164
  124   2H2*    C  11          2H2*        C  11  -3.415 -15.545   2.837
  125   1H5*    C  12          1H5*        C  12  -3.889 -15.570   5.176
  126   2H5*    C  12          2H5*        C  12  -4.989 -14.721   6.253
  127    H4*    C  12           H4*        C  12  -3.035 -14.041   6.654
  128    H3*    C  12           H3*        C  12  -4.684 -11.817   5.952
  129    H1*    C  12           H1*        C  12  -1.129 -11.881   5.099
  130   1H4     C  12          1H4         C  12  -0.242 -13.350  -1.267
  131   2H4     C  12          2H4         C  12   1.194 -12.575  -0.508
  132    H5     C  12           H5         C  12  -2.130 -13.649   0.024
  133    H6     C  12           H6         C  12  -3.141 -13.278   2.307
  134   1H2*    C  12          1H2*        C  12  -3.837 -11.876   3.821
  135   2H2*    C  12          2H2*        C  12  -3.016 -10.478   4.480
  136   1H5*    G  13          1H5*        G  13  -0.553 -11.393   8.332
  137   2H5*    G  13          2H5*        G  13  -0.698 -10.124   9.551
  138    H4*    G  13           H4*        G  13   1.596 -10.353   8.688
  139    H3*    G  13           H3*        G  13   0.787  -8.045   9.387
  140    H1*    G  13           H1*        G  13   2.511  -8.865   6.150
  141    H8     G  13           H8         G  13  -1.139  -8.874   5.205
  142    H1     G  13           H1         G  13   3.110  -7.916   0.435
  143   1H2     G  13          1H2         G  13   5.211  -7.760   2.944
  144   2H2     G  13          2H2         G  13   4.913  -7.689   1.185
  145   1H2*    G  13          1H2*        G  13  -0.029  -7.512   7.126
  146   2H2*    G  13          2H2*        G  13   1.542  -6.690   7.106
  147   1H5*    T  14          1H5*        T  14   4.729  -8.127   6.659
  148   2H5*    T  14          2H5*        T  14   5.926  -7.695   7.887
  149    H4*    T  14           H4*        T  14   6.841  -6.947   6.083
  150    H3*    T  14           H3*        T  14   6.101  -4.895   7.727
  151   1H2*    T  14          1H2*        T  14   4.308  -4.395   6.633
  152   2H2*    T  14          2H2*        T  14   5.295  -3.189   5.856
  153    H1*    T  14           H1*        T  14   5.817  -4.594   4.027
  154    H3     T  14           H3         T  14   2.293  -4.648   1.038
  155   1H5M    T  14          1H5M        T  14  -0.316  -6.109   4.919
  156   2H5M    T  14          2H5M        T  14   0.371  -4.954   6.068
  157   3H5M    T  14          3H5M        T  14  -0.655  -4.383   4.735
  158    H6     T  14           H6         T  14   2.607  -5.069   5.792
  159   1H5*    T  15          1H5*        T  15   8.673  -4.285   3.935
  160   2H5*    T  15          2H5*        T  15   9.938  -3.065   4.086
  161    H4*    T  15           H4*        T  15   9.173  -3.236   1.879
  162    H3*    T  15           H3*        T  15   9.566  -0.749   2.826
  163   1H2*    T  15          1H2*        T  15   7.276  -0.560   3.526
  164   2H2*    T  15          2H2*        T  15   7.229   0.359   2.041
  165    H1*    T  15           H1*        T  15   6.635  -1.742   0.787
  166    H3     T  15           H3         T  15   2.170  -1.407   0.868
  167   1H5M    T  15          1H5M        T  15   3.837  -1.333   5.987
  168   2H5M    T  15          2H5M        T  15   2.498  -2.443   5.614
  169   3H5M    T  15          3H5M        T  15   2.249  -0.696   5.507
  170    H6     T  15           H6         T  15   5.446  -1.710   4.345
  171   1H5*    T  16          1H5*        T  16   7.456  -1.312  -1.337
  172   2H5*    T  16          2H5*        T  16   8.712  -0.681  -2.401
  173    H4*    T  16           H4*        T  16   6.884  -0.506  -3.600
  174    H3*    T  16           H3*        T  16   8.034   1.668  -3.502
  175   1H2*    T  16          1H2*        T  16   6.428   2.475  -1.890
  176   2H2*    T  16          2H2*        T  16   5.672   3.233  -3.228
  177    H1*    T  16           H1*        T  16   4.332   1.280  -3.507
  178    H3     T  16           H3         T  16   0.981   2.093  -0.514
  179   1H5M    T  16          1H5M        T  16   5.706   2.039   2.084
  180   2H5M    T  16          2H5M        T  16   4.263   2.747   2.814
  181   3H5M    T  16          3H5M        T  16   4.467   0.990   2.823
  182    H6     T  16           H6         T  16   5.709   1.335  -0.272
  183   1H5*    T  17          1H5*        T  17   4.147   1.059  -6.286
  184   2H5*    T  17          2H5*        T  17   4.388   1.829  -7.867
  185    H4*    T  17           H4*        T  17   2.121   2.138  -7.198
  186    H3*    T  17           H3*        T  17   3.770   4.504  -7.349
  187   1H2*    T  17          1H2*        T  17   2.907   5.485  -5.650
  188   2H2*    T  17          2H2*        T  17   1.373   5.689  -6.356
  189    H1*    T  17           H1*        T  17   0.706   3.327  -5.409
  190    H3     T  17           H3         T  17  -0.313   4.904  -1.276
  191   1H5M    T  17          1H5M        T  17   4.938   5.657  -2.055
  192   2H5M    T  17          2H5M        T  17   4.174   6.070  -0.510
  193   3H5M    T  17          3H5M        T  17   4.667   4.395  -0.836
  194    H6     T  17           H6         T  17   3.731   4.504  -3.803
  195   1H5*    G  18          1H5*        G  18  -0.729   3.665  -7.670
  196   2H5*    G  18          2H5*        G  18  -1.253   4.127  -9.298
  197    H4*    G  18           H4*        G  18  -3.129   4.343  -8.062
  198    H3*    G  18           H3*        G  18  -2.430   6.632  -9.239
  199    H1*    G  18           H1*        G  18  -3.839   6.373  -5.790
  200    H8     G  18           H8         G  18  -0.095   7.023  -5.460
  201    H1     G  18           H1         G  18  -3.682   8.031  -0.197
  202   1H2     G  18          1H2         G  18  -6.067   6.942  -2.173
  203   2H2     G  18          2H2         G  18  -5.556   7.553  -0.575
  204   1H2*    G  18          1H2*        G  18  -1.409   7.473  -7.308
  205   2H2*    G  18          2H2*        G  18  -2.932   8.310  -7.189
  206   1H5*    C  19          1H5*        C  19  -6.627   6.129  -6.886
  207   2H5*    C  19          2H5*        C  19  -7.811   6.582  -8.130
  208    H4*    C  19           H4*        C  19  -8.858   7.284  -6.181
  209    H3*    C  19           H3*        C  19  -8.489   9.255  -7.854
  210    H1*    C  19           H1*        C  19  -7.990   9.655  -4.162
  211   1H4     C  19          1H4         C  19  -1.532  10.825  -3.506
  212   2H4     C  19          2H4         C  19  -2.383  11.257  -2.000
  213    H5     C  19           H5         C  19  -2.651   9.916  -5.317
  214    H6     C  19           H6         C  19  -4.890   9.187  -6.157
  215   1H2*    C  19          1H2*        C  19  -6.788  10.177  -6.745
  216   2H2*    C  19          2H2*        C  19  -8.132  10.826  -5.801
  217   1H5*    C  20          1H5*        C  20 -10.990  11.149  -4.525
  218   2H5*    C  20          2H5*        C  20 -12.299  12.010  -5.345
  219    H4*    C  20           H4*        C  20 -11.361  13.556  -4.109
  220    H3*    C  20           H3*        C  20 -10.049  13.879  -6.732
  221    H1*    C  20           H1*        C  20  -9.134  14.847  -3.227
  222   1H4     C  20          1H4         C  20  -3.127  13.243  -5.534
  223   2H4     C  20          2H4         C  20  -2.965  14.175  -4.012
  224    H5     C  20           H5         C  20  -5.396  12.737  -6.448
  225    H6     C  20           H6         C  20  -7.575  13.004  -6.086
  226    H3T    C  20           H3T        C  20 -11.352  15.843  -6.759
  227   1H2*    C  20          1H2*        C  20  -8.464  15.112  -6.223
  228   2H2*    C  20          2H2*        C  20  -9.344  16.223  -5.286
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   3.271  15.881   4.231
    2   2H5*    G   1          2H5*        G   1   2.921  17.604   4.382
    3    H4*    G   1           H4*        G   1   0.979  16.961   5.884
    4    H3*    G   1           H3*        G   1   1.837  14.635   6.412
    5    H1*    G   1           H1*        G   1  -0.982  15.379   4.040
    6    H8     G   1           H8         G   1   2.054  14.625   1.933
    7    H1     G   1           H1         G   1  -3.373  14.933  -1.502
    8   1H2     G   1          1H2         G   1  -4.825  15.232   1.340
    9   2H2     G   1          2H2         G   1  -4.856  15.134  -0.443
   10    H5T    G   1           H5T        G   1   3.207  17.370   6.684
   11   1H2*    G   1          1H2*        G   1   1.720  13.882   4.119
   12   2H2*    G   1          2H2*        G   1   0.232  13.223   4.751
   13   1H5*    G   2          1H5*        G   2  -2.995  15.109   6.425
   14   2H5*    G   2          2H5*        G   2  -3.414  14.762   8.113
   15    H4*    G   2           H4*        G   2  -5.143  13.843   7.047
   16    H3*    G   2           H3*        G   2  -3.752  11.796   8.272
   17    H1*    G   2           H1*        G   2  -5.005  11.394   4.719
   18    H8     G   2           H8         G   2  -1.232  11.825   4.574
   19    H1     G   2           H1         G   2  -4.202  11.513  -1.101
   20   1H2     G   2          1H2         G   2  -6.885  11.545   0.731
   21   2H2     G   2          2H2         G   2  -6.101  11.488  -0.871
   22   1H2*    G   2          1H2*        G   2  -2.431  11.477   6.389
   23   2H2*    G   2          2H2*        G   2  -3.509  10.139   6.325
   24   1H5*    C   3          1H5*        C   3  -7.642  10.966   5.935
   25   2H5*    C   3          2H5*        C   3  -8.650   9.909   6.930
   26    H4*    C   3           H4*        C   3  -9.206   9.591   4.813
   27    H3*    C   3           H3*        C   3  -8.375   7.340   6.108
   28    H1*    C   3           H1*        C   3  -7.237   7.677   2.726
   29   1H4     C   3          1H4         C   3  -0.810   8.344   2.846
   30   2H4     C   3          2H4         C   3  -1.491   8.260   1.178
   31    H5     C   3           H5         C   3  -2.415   8.480   4.676
   32    H6     C   3           H6         C   3  -4.831   8.568   5.199
   33   1H2*    C   3          1H2*        C   3  -6.293   7.226   5.418
   34   2H2*    C   3          2H2*        C   3  -6.879   6.160   4.249
   35   1H5*    A   4          1H5*        A   4  -9.606   6.817   1.633
   36   2H5*    A   4          2H5*        A   4 -11.014   5.744   1.595
   37    H4*    A   4           H4*        A   4  -9.888   5.528  -0.450
   38    H3*    A   4           H3*        A   4 -10.399   3.120   0.810
   39    H1*    A   4           H1*        A   4  -7.278   3.763  -0.825
   40    H8     A   4           H8         A   4  -6.391   3.943   2.907
   41   1H6     A   4          1H6         A   4  -1.307   4.948   2.327
   42   2H6     A   4          2H6         A   4  -0.637   5.206   0.689
   43    H2     A   4           H2         A   4  -2.977   5.037  -2.480
   44   1H2*    A   4          1H2*        A   4  -8.270   3.188   1.802
   45   2H2*    A   4          2H2*        A   4  -8.006   2.053   0.553
   46   1H5*    A   5          1H5*        A   5  -8.663   3.246  -3.779
   47   2H5*    A   5          2H5*        A   5  -9.635   2.012  -4.612
   48    H4*    A   5           H4*        A   5  -7.550   1.710  -5.573
   49    H3*    A   5           H3*        A   5  -8.442  -0.437  -4.655
   50    H1*    A   5           H1*        A   5  -4.948   0.646  -4.014
   51    H8     A   5           H8         A   5  -6.651   0.794  -0.661
   52   1H6     A   5          1H6         A   5  -2.263   1.659   2.073
   53   2H6     A   5          2H6         A   5  -0.738   1.983   1.194
   54    H2     A   5           H2         A   5  -0.757   2.028  -2.805
   55   1H2*    A   5          1H2*        A   5  -7.418  -0.159  -2.474
   56   2H2*    A   5          2H2*        A   5  -6.280  -1.257  -3.178
   57   1H5*    A   6          1H5*        A   6  -4.054   0.201  -6.268
   58   2H5*    A   6          2H5*        A   6  -4.275  -0.668  -7.798
   59    H4*    A   6           H4*        A   6  -2.066  -0.656  -7.588
   60    H3*    A   6           H3*        A   6  -3.028  -3.150  -7.619
   61    H1*    A   6           H1*        A   6  -0.318  -2.275  -5.013
   62    H8     A   6           H8         A   6  -3.879  -2.477  -3.470
   63   1H6     A   6          1H6         A   6  -2.313  -1.608   1.443
   64   2H6     A   6          2H6         A   6  -0.586  -1.218   1.738
   65    H2     A   6           H2         A   6   1.997  -1.022  -1.319
   66   1H2*    A   6          1H2*        A   6  -3.131  -3.312  -5.381
   67   2H2*    A   6          2H2*        A   6  -1.640  -4.165  -5.574
   68   1H5*    A   7          1H5*        A   7   1.547  -2.479  -8.621
   69   2H5*    A   7          2H5*        A   7   2.200  -3.660  -9.752
   70    H4*    A   7           H4*        A   7   3.678  -3.148  -7.910
   71    H3*    A   7           H3*        A   7   3.576  -5.470  -8.801
   72    H1*    A   7           H1*        A   7   3.767  -4.387  -5.245
   73    H8     A   7           H8         A   7   0.362  -5.626  -6.081
   74   1H6     A   7          1H6         A   7  -1.557  -5.723  -1.048
   75   2H6     A   7          2H6         A   7  -0.412  -5.114   0.196
   76    H2     A   7           H2         A   7   3.184  -3.830  -0.706
   77   1H2*    A   7          1H2*        A   7   2.145  -6.291  -7.006
   78   2H2*    A   7          2H2*        A   7   3.646  -6.638  -6.208
   79   1H5*    C   8          1H5*        C   8   6.890  -4.011  -5.662
   80   2H5*    C   8          2H5*        C   8   8.454  -4.775  -5.981
   81    H4*    C   8           H4*        C   8   8.367  -4.540  -3.601
   82    H3*    C   8           H3*        C   8   9.077  -6.733  -4.394
   83    H1*    C   8           H1*        C   8   6.659  -5.832  -1.622
   84   1H4     C   8          1H4         C   8   0.807  -8.705  -2.556
   85   2H4     C   8          2H4         C   8   1.298  -8.539  -0.830
   86    H5     C   8           H5         C   8   2.356  -7.964  -4.232
   87    H6     C   8           H6         C   8   4.662  -6.921  -4.481
   88   1H2*    C   8          1H2*        C   8   6.866  -7.762  -4.060
   89   2H2*    C   8          2H2*        C   8   7.540  -8.035  -2.490
   90   1H5*    G   9          1H5*        G   9   9.057  -6.253   0.412
   91   2H5*    G   9          2H5*        G   9  10.789  -6.223   0.817
   92    H4*    G   9           H4*        G   9   9.913  -7.491   2.538
   93    H3*    G   9           H3*        G   9  11.634  -8.694   1.143
   94    H1*    G   9           H1*        G   9   8.379 -10.255   2.302
   95    H8     G   9           H8         G   9   8.273  -9.966  -1.567
   96    H1     G   9           H1         G   9   2.769 -11.581   1.397
   97   1H2     G   9          1H2         G   9   4.352 -11.347   4.001
   98   2H2     G   9          2H2         G   9   2.846 -11.676   3.110
   99   1H2*    G   9          1H2*        G   9  10.041  -9.842  -0.259
  100   2H2*    G   9          2H2*        G   9  10.259 -11.170   0.831
  101   1H5*    G  10          1H5*        G  10   9.835 -10.277   5.231
  102   2H5*    G  10          2H5*        G  10  11.099 -11.115   6.125
  103    H4*    G  10           H4*        G  10   9.122 -11.734   6.910
  104    H3*    G  10           H3*        G  10  10.703 -14.025   6.197
  105    H1*    G  10           H1*        G  10   7.154 -14.004   5.312
  106    H8     G  10           H8         G  10   9.212 -12.845   2.379
  107    H1     G  10           H1         G  10   3.404 -15.346   1.038
  108   1H2     G  10          1H2         G  10   3.033 -15.291   4.178
  109   2H2     G  10          2H2         G  10   2.431 -15.650   2.543
  110    H3T    G  10           H3T        G  10   8.008 -14.396   6.901
  111   1H2*    G  10          1H2*        G  10   9.893 -13.953   4.100
  112   2H2*    G  10          2H2*        G  10   9.023 -15.341   4.722
  113   1H5*    C  11          1H5*        C  11  -4.999 -16.946  -1.354
  114   2H5*    C  11          2H5*        C  11  -4.732 -18.568  -0.713
  115    H4*    C  11           H4*        C  11  -4.278 -17.622   1.491
  116    H3*    C  11           H3*        C  11  -5.060 -14.986   0.384
  117    H1*    C  11           H1*        C  11  -1.976 -16.500   1.924
  118   1H4     C  11          1H4         C  11   2.571 -15.111  -2.547
  119   2H4     C  11          2H4         C  11   3.328 -15.458  -0.962
  120    H5     C  11           H5         C  11   0.281 -14.999  -2.751
  121    H6     C  11           H6         C  11  -1.892 -15.196  -1.416
  122    H5T    C  11           H5T        C  11  -6.517 -18.091   0.793
  123   1H2*    C  11          1H2*        C  11  -3.123 -14.289   0.344
  124   2H2*    C  11          2H2*        C  11  -2.928 -14.424   2.098
  125   1H5*    C  12          1H5*        C  12  -3.975 -15.194   4.880
  126   2H5*    C  12          2H5*        C  12  -5.158 -14.240   5.781
  127    H4*    C  12           H4*        C  12  -3.148 -13.772   6.643
  128    H3*    C  12           H3*        C  12  -4.469 -11.545   5.843
  129    H1*    C  12           H1*        C  12  -0.887 -11.815   5.267
  130   1H4     C  12          1H4         C  12   2.104 -12.902   0.380
  131   2H4     C  12          2H4         C  12   1.060 -12.277  -0.906
  132    H5     C  12           H5         C  12  -1.473 -12.160  -0.112
  133    H6     C  12           H6         C  12  -2.651 -12.081   2.053
  134   1H2*    C  12          1H2*        C  12  -3.465 -11.566   3.838
  135   2H2*    C  12          2H2*        C  12  -2.539 -10.283   4.583
  136   1H5*    G  13          1H5*        G  13  -0.628 -11.149   8.962
  137   2H5*    G  13          2H5*        G  13  -0.838  -9.799  10.079
  138    H4*    G  13           H4*        G  13   1.519 -10.097   9.284
  139    H3*    G  13           H3*        G  13   0.794  -7.780   9.944
  140    H1*    G  13           H1*        G  13   2.406  -8.650   6.644
  141    H8     G  13           H8         G  13  -1.290  -8.440   5.950
  142    H1     G  13           H1         G  13   2.707  -8.069   0.890
  143   1H2     G  13          1H2         G  13   4.977  -8.124   3.123
  144   2H2     G  13          2H2         G  13   4.487  -8.046   1.410
  145   1H2*    G  13          1H2*        G  13  -0.095  -7.306   7.731
  146   2H2*    G  13          2H2*        G  13   1.433  -6.455   7.602
  147   1H5*    T  14          1H5*        T  14   4.641  -8.205   6.839
  148   2H5*    T  14          2H5*        T  14   5.865  -7.642   7.982
  149    H4*    T  14           H4*        T  14   6.695  -7.047   6.036
  150    H3*    T  14           H3*        T  14   6.110  -4.903   7.622
  151   1H2*    T  14          1H2*        T  14   4.265  -4.406   6.611
  152   2H2*    T  14          2H2*        T  14   5.265  -3.272   5.747
  153    H1*    T  14           H1*        T  14   5.637  -4.753   3.958
  154    H3     T  14           H3         T  14   2.018  -4.690   1.134
  155   1H5M    T  14          1H5M        T  14  -0.963  -4.985   4.717
  156   2H5M    T  14          2H5M        T  14   0.067  -5.871   5.840
  157   3H5M    T  14          3H5M        T  14   0.048  -4.116   5.921
  158    H6     T  14           H6         T  14   2.500  -5.064   5.882
  159   1H5*    T  15          1H5*        T  15   8.569  -4.556   3.670
  160   2H5*    T  15          2H5*        T  15   9.900  -3.397   3.751
  161    H4*    T  15           H4*        T  15   9.008  -3.521   1.592
  162    H3*    T  15           H3*        T  15   9.504  -1.000   2.536
  163   1H2*    T  15          1H2*        T  15   7.278  -0.793   3.355
  164   2H2*    T  15          2H2*        T  15   7.191   0.145   1.885
  165    H1*    T  15           H1*        T  15   6.490  -1.930   0.648
  166    H3     T  15           H3         T  15   2.032  -1.507   0.855
  167   1H5M    T  15          1H5M        T  15   2.287  -0.692   5.491
  168   2H5M    T  15          2H5M        T  15   3.867  -1.365   5.924
  169   3H5M    T  15          3H5M        T  15   2.484  -2.444   5.629
  170    H6     T  15           H6         T  15   5.408  -1.793   4.238
  171   1H5*    T  16          1H5*        T  16   7.008  -1.491  -1.432
  172   2H5*    T  16          2H5*        T  16   8.278  -0.994  -2.542
  173    H4*    T  16           H4*        T  16   6.475  -0.689  -3.679
  174    H3*    T  16           H3*        T  16   7.758   1.509  -3.563
  175   1H2*    T  16          1H2*        T  16   6.177   2.326  -1.940
  176   2H2*    T  16          2H2*        T  16   5.487   3.149  -3.281
  177    H1*    T  16           H1*        T  16   4.059   1.286  -3.622
  178    H3     T  16           H3         T  16   0.677   2.229  -0.678
  179   1H5M    T  16          1H5M        T  16   5.152   1.074   2.095
  180   2H5M    T  16          2H5M        T  16   4.467   2.660   2.479
  181   3H5M    T  16          3H5M        T  16   3.582   1.183   2.908
  182    H6     T  16           H6         T  16   5.339   1.157  -0.340
  183   1H5*    T  17          1H5*        T  17   3.935   1.066  -6.353
  184   2H5*    T  17          2H5*        T  17   4.222   1.791  -7.945
  185    H4*    T  17           H4*        T  17   1.990   2.171  -7.311
  186    H3*    T  17           H3*        T  17   3.701   4.516  -7.475
  187   1H2*    T  17          1H2*        T  17   2.800   5.548  -5.828
  188   2H2*    T  17          2H2*        T  17   1.296   5.762  -6.597
  189    H1*    T  17           H1*        T  17   0.555   3.424  -5.590
  190    H3     T  17           H3         T  17  -0.530   5.072  -1.484
  191   1H5M    T  17          1H5M        T  17   4.820   5.356  -2.120
  192   2H5M    T  17          2H5M        T  17   4.029   6.120  -0.731
  193   3H5M    T  17          3H5M        T  17   4.295   4.363  -0.745
  194    H6     T  17           H6         T  17   3.556   4.542  -3.932
  195   1H5*    G  18          1H5*        G  18  -0.777   3.846  -7.805
  196   2H5*    G  18          2H5*        G  18  -1.270   4.189  -9.471
  197    H4*    G  18           H4*        G  18  -3.131   4.556  -8.306
  198    H3*    G  18           H3*        G  18  -2.332   6.773  -9.596
  199    H1*    G  18           H1*        G  18  -3.775   6.832  -6.155
  200    H8     G  18           H8         G  18  -0.010   7.240  -5.814
  201    H1     G  18           H1         G  18  -3.506   8.328  -0.501
  202   1H2     G  18          1H2         G  18  -5.972   7.550  -2.470
  203   2H2     G  18          2H2         G  18  -5.372   8.045  -0.864
  204   1H2*    G  18          1H2*        G  18  -1.263   7.652  -7.697
  205   2H2*    G  18          2H2*        G  18  -2.720   8.596  -7.651
  206   1H5*    C  19          1H5*        C  19  -6.601   6.588  -7.337
  207   2H5*    C  19          2H5*        C  19  -7.786   7.233  -8.490
  208    H4*    C  19           H4*        C  19  -8.595   7.906  -6.378
  209    H3*    C  19           H3*        C  19  -8.328   9.862  -8.066
  210    H1*    C  19           H1*        C  19  -7.508  10.140  -4.460
  211   1H4     C  19          1H4         C  19  -1.017  11.221  -4.040
  212   2H4     C  19          2H4         C  19  -1.921  11.694  -2.560
  213    H5     C  19           H5         C  19  -2.209  10.265  -5.795
  214    H6     C  19           H6         C  19  -4.509   9.534  -6.555
  215   1H2*    C  19          1H2*        C  19  -6.404  10.700  -7.083
  216   2H2*    C  19          2H2*        C  19  -7.655  11.393  -6.108
  217   1H5*    C  20          1H5*        C  20 -10.456  11.929  -4.413
  218   2H5*    C  20          2H5*        C  20 -11.704  12.910  -5.181
  219    H4*    C  20           H4*        C  20 -10.650  14.327  -3.969
  220    H3*    C  20           H3*        C  20  -9.283  14.658  -6.597
  221    H1*    C  20           H1*        C  20  -8.350  15.431  -3.048
  222   1H4     C  20          1H4         C  20  -2.360  13.839  -5.350
  223   2H4     C  20          2H4         C  20  -2.256  14.745  -3.799
  224    H5     C  20           H5         C  20  -4.653  13.299  -6.256
  225    H6     C  20           H6         C  20  -6.809  13.492  -5.872
  226    H3T    C  20           H3T        C  20 -10.417  16.703  -6.563
  227   1H2*    C  20          1H2*        C  20  -7.593  15.688  -6.010
  228   2H2*    C  20          2H2*        C  20  -8.373  16.856  -5.059