*HEADER    DNA/RNA                                 03-MAR-03   1OO7              
*TITLE     DNA.RNA HYBRID DUPLEX CONTAINING A 5-PROPYNE DNA STRAND AND           
*TITLE    2 PURINE-RICH RNA STRAND, NMR, 4 STRUCTURES                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3';                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*GP*(5PC)P*(PDU)P*(PDU)P*(5PC)P*(PDU)                 
*COMPND   7 P*(5PC)P*(PDU)P*(PDU)P*C)-3';                                        
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    DNA.RNA HYBRID, PURINE/PYRIMIDINE-RICH STRANDS, ANTISENSE             
*EXPDTA    NMR, 4 STRUCTURES                                                     
*AUTHOR    J.I.GYI, D.GAO, G.L.CONN, J.O.TRENT, T.BROWN, A.N.LANE                
*REVDAT   1   11-NOV-03 1OO7    0                                                


#distance
1:G_1:H1*          1:G_1:H8            3.600  3.900 100.00 100.00 
1:A_2:H1*          1:A_2:H8            3.500  4.200 100.00 100.00 
1:A_3:H1*          1:A_3:H8            3.500  4.200 100.00 100.00 
1:G_4:H1*          1:G_4:H8            3.500  4.200 100.00 100.00 
1:A_5:H1*          1:A_5:H8            3.500  4.200 100.00 100.00 
1:G_6:H1*          1:G_6:H8            3.500  4.200 100.00 100.00 
1:A_7:H1*          1:A_7:H8            3.500  4.200 100.00 100.00 
1:A_8:H1*          1:A_8:H8            3.500  4.200 100.00 100.00 
1:G_9:H1*          1:G_9:H8            3.500  4.200 100.00 100.00 
1:C_10:H1*         1:C_10:H6           3.500  4.200 100.00 100.00 
1:G_1:H1*          1:A_2:H8            3.500  4.800 100.00 100.00 
1:A_2:H1*          1:A_3:H8            3.500  4.800 100.00 100.00 
1:A_3:H1*          1:G_4:H8            3.500  4.800 100.00 100.00 
1:G_4:H1*          1:A_5:H8            3.500  4.800 100.00 100.00 
1:A_5:H1*          1:G_6:H8            3.500  4.800 100.00 100.00 
1:G_6:H1*          1:A_7:H8            3.500  4.800 100.00 100.00 
1:A_7:H1*          1:A_8:H8            3.500  4.800 100.00 100.00 
1:A_8:H1*          1:G_9:H8            2.000  5.200 100.00 100.00 
1:G_9:H1*          1:C_10:H6           3.500  4.500 100.00 100.00 
!
1:G_1:H2*1         1:G_1:H8            3.000  4.500 100.00 100.00 
1:A_2:H2*1         1:A_2:H8            3.000  4.500 100.00 100.00 
1:A_3:H2*1         1:A_3:H8            3.000  4.500 100.00 100.00 
1:G_4:H2*1         1:G_4:H8            3.000  5.000 100.00 100.00 
1:A_5:H2*1         1:A_5:H8            2.000  5.000 100.00 100.00 
1:G_6:H2*1         1:G_6:H8            3.000  4.500 100.00 100.00 
1:A_7:H2*1         1:A_7:H8            2.000  5.000 100.00 100.00 
1:A_8:H2*1         1:A_8:H8            3.000  4.500 100.00 100.00 
1:G_9:H2*1         1:G_9:H8            3.000  4.000 100.00 100.00 
1:C_10:H2*1        1:C_10:H6           2.500  4.000 100.00 100.00 
1:G_1:H2*1         1:A_2:H8            2.000  3.000 100.00 100.00 
1:A_2:H2*1         1:A_3:H8            2.000  3.000 100.00 100.00 
1:A_3:H2*1         1:G_4:H8            2.000  3.000 100.00 100.00 
1:G_4:H2*1         1:A_5:H8            2.000  4.000 100.00 100.00 
1:A_5:H2*1         1:G_6:H8            2.500  3.500 100.00 100.00 
1:G_6:H2*1         1:A_7:H8            2.000  3.000 100.00 100.00 
1:A_7:H2*1         1:A_8:H8            2.000  3.000 100.00 100.00 
1:A_8:H2*1         1:G_9:H8            2.000  2.700 100.00 100.00 
1:G_9:H2*1         1:C_10:H6           2.000  2.500 100.00 100.00 
!
1:G_1:H3*          1:G_1:H8            3.000  4.000 100.00 100.00 
1:G_4:H3*          1:G_4:H8            2.500  3.500 100.00 100.00 
1:G_6:H3*          1:G_6:H8            2.000  3.000 100.00 100.00 
1:C_10:H3*         1:C_10:H6           2.000  3.000 100.00 100.00 
1:A_3:H3*          1:G_4:H8            2.500  5.000 100.00 100.00 
1:G_4:H3*          1:A_5:H8            2.500  4.000 100.00 100.00 
1:A_5:H3*          1:G_6:H8            2.500  4.000 100.00 100.00 
1:G_6:H3*          1:A_7:H8            2.500  4.000 100.00 100.00 
1:G_9:H3*          1:C_10:H6           2.500  4.000 100.00 100.00 
1:G_1:H4*          1:G_1:H8            3.000  5.000 100.00 100.00 
1:G_6:H4*          1:G_6:H8            3.000  5.000 100.00 100.00 
1:C_10:H4*         1:C_10:H6           3.000  5.000 100.00 100.00 
!
1:G_1:H1*          1:G_1:H4*           3.000  4.000 100.00 100.00 
1:A_2:H1*          1:A_2:H4*           3.000  4.000 100.00 100.00 
1:A_3:H1*          1:A_3:H4*           3.000  4.000 100.00 100.00 
1:G_4:H1*          1:G_4:H4*           3.000  4.000 100.00 100.00 
1:A_5:H1*          1:A_5:H4*           3.000  4.000 100.00 100.00 
1:G_6:H1*          1:G_6:H4*           3.000  4.000 100.00 100.00 
1:A_7:H1*          1:A_7:H4*           3.000  4.000 100.00 100.00 
1:A_8:H1*          1:A_8:H4*           3.000  4.000 100.00 100.00 
1:G_9:H1*          1:G_9:H4*           3.000  4.000 100.00 100.00 
1:C_10:H1*         1:C_10:H4*          3.000  4.000 100.00 100.00 
!
1:G_1:H8           1:A_2:H8            4.000  6.000 100.00 100.00 
1:A_2:H8           1:A_3:H8            4.000  6.000 100.00 100.00 
1:A_3:H8           1:G_4:H8            4.000  6.000 100.00 100.00 
1:G_4:H8           1:A_5:H8            4.000  6.000 100.00 100.00 
1:A_5:H8           1:G_6:H8            4.000  6.000 100.00 100.00 
1:G_6:H8           1:A_7:H8            4.000  6.000 100.00 100.00 
1:A_7:H8           1:A_8:H8            4.000  6.000 100.00 100.00 
1:A_8:H8           1:G_9:H8            4.000  6.000 100.00 100.00 
1:G_9:H8           1:C_10:H6           4.000  6.000 100.00 100.00 
!
1:A_2:H2           1:A_3:H1*           3.000  4.000 100.00 100.00 
1:A_3:H2           1:G_4:H1*           2.500  4.000 100.00 100.00 
1:A_5:H2           1:G_6:H1*           2.400  4.000 100.00 100.00 
1:A_7:H2           1:A_8:H1*           2.000  4.000 100.00 100.00 
1:A_8:H2           1:G_9:H1*           2.000  4.000 100.00 100.00 
!
1:G_1B:H1*         1:G_1B:H8           3.500  4.000 100.00 100.00 
1:T_3B:H1*        1:T_3B:H6          3.500  4.000 100.00 100.00 
1:T_4B:H1*        1:T_4B:H6          3.500  4.000 100.00 100.00 
1:C_5B:H1*        1:C_5B:H6          3.500  4.000 100.00 100.00 
1:T_6B:H1*        1:T_6B:H6          3.500  4.000 100.00 100.00 
1:C_7B:H1*        1:C_7B:H6          3.500  4.000 100.00 100.00 
1:T_8B:H1*        1:T_8B:H6          3.500  4.000 100.00 100.00 
1:T_9B:H1*        1:T_9B:H6          3.500  4.000 100.00 100.00 
1:C_10B:H1*        1:C_10B:H6          3.500  4.000 100.00 100.00 
1:G_1B:H1*         1:C_2B:H6          3.500  5.000 100.00 100.00 
1:T_3B:H1*        1:T_4B:H6          3.500  5.000 100.00 100.00 
1:C_5B:H1*        1:T_6B:H6          3.400  5.000 100.00 100.00 
1:T_6B:H1*        1:C_7B:H6          3.300  5.000 100.00 100.00 
1:C_7B:H1*        1:T_8B:H6          3.600  5.000 100.00 100.00 
1:T_8B:H1*        1:T_9B:H6          3.500  5.000 100.00 100.00 
1:T_9B:H1*        1:C_10B:H6          4.000  5.000 100.00 100.00 
!
1:G_1B:H2*2        1:G_1B:H8           2.500  5.000 100.00 100.00 
1:C_2B:H2*2       1:C_2B:H6          2.000  2.700 100.00 100.00 
1:T_3B:H2*2       1:T_3B:H6          2.000  2.700 100.00 100.00 
1:T_4B:H2*2       1:T_4B:H6          2.000  2.700 100.00 100.00 
1:T_6B:H2*2       1:T_6B:H6          2.300  3.200 100.00 100.00 
1:C_7B:H2*2       1:C_7B:H6          2.400  3.000 100.00 100.00 
1:T_8B:H2*2       1:T_8B:H6          2.000  2.600 100.00 100.00 
1:T_9B:H2*2       1:T_9B:H6          2.000  2.600 100.00 100.00 
1:C_10B:H2*2       1:C_10B:H6          2.200  2.800 100.00 100.00 
1:G_1B:H2*1        1:G_1B:H8           2.500  4.000 100.00 100.00 
1:C_2B:H2*1       1:C_2B:H6          2.000  5.000 100.00 100.00 
1:T_3B:H2*1       1:T_3B:H6          2.500  4.000 100.00 100.00 
1:T_4B:H2*1       1:T_4B:H6          2.500  4.000 100.00 100.00 
1:C_5B:H2*1       1:C_5B:H6          2.600  4.000 100.00 100.00 
1:T_6B:H2*1       1:T_6B:H6          2.600  4.000 100.00 100.00 
1:C_7B:H2*1       1:C_7B:H6          2.400  4.000 100.00 100.00 
1:T_8B:H2*1       1:T_8B:H6          2.800  4.000 100.00 100.00 
1:T_9B:H2*1       1:T_9B:H6          3.000  4.000 100.00 100.00 
1:C_10B:H2*1       1:C_10B:H6          2.500  4.000 100.00 100.00 
!
1:G_1B:H2*2        1:C_2B:H6          2.300  3.500 100.00 100.00 
1:C_2B:H2*2       1:T_3B:H6          2.000  3.500 100.00 100.00 
1:T_3B:H2*2       1:T_4B:H6          2.000  3.500 100.00 100.00 
1:T_4B:H2*2       1:C_5B:H6          2.300  3.500 100.00 100.00 
1:C_5B:H2*2       1:T_6B:H6          2.000  3.500 100.00 100.00 
1:T_6B:H2*2       1:C_7B:H6          2.400  3.500 100.00 100.00 
1:C_7B:H2*2       1:T_8B:H6          2.300  3.500 100.00 100.00 
1:T_8B:H2*2       1:T_9B:H6          2.300  3.500 100.00 100.00 
1:T_9B:H2*2       1:C_10B:H6          2.500  4.000 100.00 100.00 
!
1:G_1B:H2*1        1:C_2B:H6          2.000  3.000 100.00 100.00 
1:C_2B:H2*1       1:T_3B:H6          2.400  3.500 100.00 100.00 
1:T_3B:H2*1       1:T_4B:H6          2.500  3.500 100.00 100.00 
1:T_4B:H2*1       1:C_5B:H6          2.000  3.000 100.00 100.00 
1:C_5B:H2*1       1:T_6B:H6          2.400  3.500 100.00 100.00 
1:T_6B:H2*1       1:C_7B:H6          2.400  3.500 100.00 100.00 
1:C_7B:H2*1       1:T_8B:H6          2.400  3.500 100.00 100.00 
1:T_8B:H2*1       1:T_9B:H6          2.400  3.000 100.00 100.00 
1:T_9B:H2*1       1:C_10B:H6          2.000  3.000 100.00 100.00 
!
1:G_1B:H3*         1:G_1B:H8           3.000  4.200 100.00 100.00 
1:C_2B:H3*        1:C_2B:H6          2.500  4.000 100.00 100.00 
1:T_3B:H3*        1:T_3B:H6          3.000  4.200 100.00 100.00 
1:T_4B:H3*        1:T_4B:H6          3.000  4.200 100.00 100.00 
1:C_5B:H3*        1:C_5B:H6          3.000  5.000 100.00 100.00 
1:T_6B:H3*        1:T_6B:H6          3.000  4.200 100.00 100.00 
1:C_7B:H3*        1:C_7B:H6          3.000  5.000 100.00 100.00 
1:T_8B:H3*        1:T_8B:H6          3.000  5.000 100.00 100.00 
1:T_9B:H3*        1:T_9B:H6          3.000  5.000 100.00 100.00 
1:C_10B:H3*        1:C_10B:H6          2.000  3.900 100.00 100.00 
1:T_4B:H3*        1:C_5B:H6          4.000  6.000 100.00 100.00 
1:C_5B:H3*        1:T_6B:H6          4.000  6.000 100.00 100.00 
1:T_6B:H3*        1:C_7B:H6          4.000  6.000 100.00 100.00 
1:C_7B:H3*        1:T_8B:H6          4.000  6.000 100.00 100.00 
!
1:G_1B:H4*         1:G_1B:H8           3.000  5.000 100.00 100.00 
1:C_2B:H4*        1:C_2B:H6          3.000  5.000 100.00 100.00 
1:T_3B:H4*        1:T_3B:H6          3.000  5.000 100.00 100.00 
1:T_4B:H4*        1:T_4B:H6          3.000  5.000 100.00 100.00 
1:C_5B:H4*        1:C_5B:H6          3.000  5.000 100.00 100.00 
1:T_6B:H4*        1:T_6B:H6          3.000  5.000 100.00 100.00 
1:C_7B:H4*        1:C_7B:H6          3.000  5.000 100.00 100.00 
1:T_8B:H4*        1:T_8B:H6          3.000  5.000 100.00 100.00 
1:T_9B:H4*        1:T_9B:H6          3.000  5.000 100.00 100.00 
1:G_1B:H1*         1:G_1B:H4*          3.000  4.000 100.00 100.00 
1:C_2B:H1*        1:C_2B:H4*         3.000  4.000 100.00 100.00 
1:T_3B:H1*        1:T_3B:H4*         3.000  4.000 100.00 100.00 
1:T_4B:H1*        1:T_4B:H4*         3.000  4.000 100.00 100.00 
1:T_6B:H1*        1:T_6B:H4*         3.000  4.000 100.00 100.00 
1:T_8B:H1*        1:T_8B:H4*         3.000  4.000 100.00 100.00 
1:T_9B:H1*        1:T_9B:H4*         3.000  4.000 100.00 100.00 
1:C_10B:H1*        1:C_10B:H4*         2.600  3.500 100.00 100.00 
!
1:G_9:H8           1:C_10:H5           3.000  4.500 100.00 100.00 
1:C_2B:H6         1:PR_3B:H91         2.400  3.500 100.00 100.00 
1:T_3B:H6         1:PR_4B:H91         2.300  3.000 100.00 100.00 
1:T_4B:H6         1:PR_5B:H91         2.500  3.100 100.00 100.00 
1:C_5B:H6         1:PR_6B:H91         2.500  3.500 100.00 100.00 
1:T_6B:H6         1:PR_7B:H91         2.800  3.800 100.00 100.00 
1:C_7B:H6         1:PR_8B:H91         2.500  3.500 100.00 100.00 
1:T_8B:H6         1:PR_9B:H91         2.300  3.300 100.00 100.00 
1:T_9B:H6         1:C_10B:H5          3.000  4.500 100.00 100.00 
1:G_1B:H8          1:C_2B:H6          4.000  5.000 100.00 100.00 
1:C_2B:H6         1:T_3B:H6          4.000  5.000 100.00 100.00 
1:T_3B:H6         1:T_4B:H6          4.000  5.000 100.00 100.00 
1:T_4B:H6         1:C_5B:H6          4.000  5.000 100.00 100.00 
1:C_5B:H6         1:T_6B:H6          4.000  5.000 100.00 100.00 
1:T_6B:H6         1:C_7B:H6          4.000  5.000 100.00 100.00 
!
1:G_1B:O6          1:C_10:N4           2.700  3.000 100.00 100.00 
1:G_1B:O6          1:C_10:N3           2.700  3.000 100.00 100.00 
1:G_1B:N2          1:C_10:O2           2.700  3.000 100.00 100.00 
1:C_2B:O2         1:G_9:N2            2.700  3.000 100.00 100.00 
1:C_2B:N3         1:G_9:N1            2.700  3.000 100.00 100.00 
1:C_2B:N4         1:G_9:O6            2.700  3.000 100.00 100.00 
1:T_3B:O4         1:A_8:N6            2.700  3.000 100.00 100.00 
1:T_3B:N3         1:A_8:N1            2.700  3.000 100.00 100.00 
1:T_4B:O4         1:A_7:N6            2.700  3.000 100.00 100.00 
1:T_4B:N3         1:A_7:N1            2.700  3.000 100.00 100.00 
1:C_5B:N4         1:G_6:O6            2.700  3.000 100.00 100.00 
1:C_5B:N3         1:G_6:N1            2.700  3.000 100.00 100.00 
1:C_5B:O2         1:G_6:N2            2.700  3.000 100.00 100.00 
1:T_6B:O4         1:A_5:N6            2.700  3.000 100.00 100.00 
1:T_6B:N3         1:A_5:N1            2.700  3.000 100.00 100.00 
1:C_7B:N4         1:G_4:O6            2.700  3.000 100.00 100.00 
1:C_7B:N3         1:G_4:N1            2.700  3.000 100.00 100.00 
1:C_7B:O2         1:G_4:N2            2.700  3.000 100.00 100.00 
1:T_8B:O4         1:A_3:N6            2.700  3.000 100.00 100.00 
1:T_8B:N3         1:A_3:N1            2.700  3.000 100.00 100.00 
1:T_9B:O4         1:A_2:N6            2.700  3.000 100.00 100.00 
1:T_9B:N3         1:A_2:N1            2.700  3.000 100.00 100.00 
1:C_10B:N4         1:G_1:O6            2.700  3.000 100.00 100.00 
1:C_10B:N3         1:G_1:N1            2.700  3.000 100.00 100.00 
1:C_10B:O2         1:G_1:N2            2.700  3.000 100.00 100.00 
!
1:G_1:H1*          1:G_1:H2*1          1.500  2.800 100.00 100.00 
1:A_2:H1*          1:A_2:H2*1          1.500  2.800 100.00 100.00 
1:A_3:H1*          1:A_3:H2*1          1.500  2.800 100.00 100.00 
1:G_4:H1*          1:G_4:H2*1          1.500  2.800 100.00 100.00 
1:A_5:H1*          1:A_5:H2*1          1.500  2.800 100.00 100.00 
1:G_6:H1*          1:G_6:H2*1          1.500  2.800 100.00 100.00 
1:A_7:H1*          1:A_7:H2*1          1.500  2.800 100.00 100.00 
1:A_8:H1*          1:A_8:H2*1          1.500  2.800 100.00 100.00 
1:G_9:H1*          1:G_9:H2*1          1.500  2.800 100.00 100.00 
1:C_10:H1*         1:C_10:H2*1         1.500  2.800 100.00 100.00 
!
!
!
#NMR_dihedral
!
!GAMMA
1:G_1B:O5*         1:G_1B:C5*         1:G_1B:C4*         1:G_1B:C3*           50.000   70.000 100.00 100.00  
1:C_2B:O5*        1:C_2B:C5*        1:C_2B:C4*        1:C_2B:C3*          50.000   70.000 100.00 100.00  
1:T_3B:O5*        1:T_3B:C5*        1:T_3B:C4*        1:T_3B:C3*          50.000   70.000 100.00 100.00  
1:T_4B:O5*        1:T_4B:C5*        1:T_4B:C4*        1:T_4B:C3*          50.000   70.000 100.00 100.00  
1:C_5B:O5*        1:C_5B:C5*        1:C_5B:C4*        1:C_5B:C3*          50.000   70.000 100.00 100.00  
1:T_6B:O5*        1:T_6B:C5*        1:T_6B:C4*        1:T_6B:C3*          50.000   70.000 100.00 100.00  
1:C_7B:O5*        1:C_7B:C5*        1:C_7B:C4*        1:C_7B:C3*          50.000   70.000 100.00 100.00  
1:T_8B:O5*        1:T_8B:C5*        1:T_8B:C4*        1:T_8B:C3*          50.000   70.000 100.00 100.00  
1:T_9B:O5*        1:T_9B:C5*        1:T_9B:C4*        1:T_9B:C3*          50.000   70.000 100.00 100.00  
1:C_10B:O5*        1:C_10B:C5*        1:C_10B:C4*        1:C_10B:C3*          50.000   70.000 100.00 100.00  
1:G_1:O5*          1:G_1:C5*          1:G_1:C4*          1:G_1:C3*            50.000   70.000 100.00 100.00  
1:A_2:O5*          1:A_2:C5*          1:A_2:C4*          1:A_2:C3*            50.000   70.000 100.00 100.00  
1:A_3:O5*          1:A_3:C5*          1:A_3:C4*          1:A_3:C3*            50.000   70.000 100.00 100.00  
1:G_4:O5*          1:G_4:C5*          1:G_4:C4*          1:G_4:C3*            50.000   70.000 100.00 100.00  
1:A_5:O5*          1:A_5:C5*          1:A_5:C4*          1:A_5:C3*            50.000   70.000 100.00 100.00  
1:G_6:O5*          1:G_6:C5*          1:G_6:C4*          1:G_6:C3*            50.000   70.000 100.00 100.00  
1:A_7:O5*          1:A_7:C5*          1:A_7:C4*          1:A_7:C3*            50.000   70.000 100.00 100.00  
1:A_8:O5*          1:A_8:C5*          1:A_8:C4*          1:A_8:C3*            50.000   70.000 100.00 100.00  
1:G_9:O5*          1:G_9:C5*          1:G_9:C4*          1:G_9:C3*            50.000   70.000 100.00 100.00  
1:C_10:O5*         1:C_10:C5*         1:C_10:C4*         1:C_10:C3*           50.000   70.000 100.00 100.00  
!
!DELTA
1:G_1B:C5*         1:G_1B:C4*         1:G_1B:C3*         1:G_1B:O3*          120.000  150.000 100.00 100.00  
1:C_2B:C5*        1:C_2B:C4*        1:C_2B:C3*        1:C_2B:O3*         120.000  150.000 100.00 100.00  
1:T_3B:C5*        1:T_3B:C4*        1:T_3B:C3*        1:T_3B:O3*         120.000  150.000 100.00 100.00  
1:T_4B:C5*        1:T_4B:C4*        1:T_4B:C3*        1:T_4B:O3*         120.000  150.000 100.00 100.00  
1:C_5B:C5*        1:C_5B:C4*        1:C_5B:C3*        1:C_5B:O3*         120.000  150.000 100.00 100.00  
1:T_6B:C5*        1:T_6B:C4*        1:T_6B:C3*        1:T_6B:O3*         120.000  150.000 100.00 100.00  
1:C_7B:C5*        1:C_7B:C4*        1:C_7B:C3*        1:C_7B:O3*         120.000  150.000 100.00 100.00  
1:T_8B:C5*        1:T_8B:C4*        1:T_8B:C3*        1:T_8B:O3*         120.000  150.000 100.00 100.00  
1:T_9B:C5*        1:T_9B:C4*        1:T_9B:C3*        1:T_9B:O3*         120.000  150.000 100.00 100.00  
1:C_10B:C5*        1:C_10B:C4*        1:C_10B:C3*        1:C_10B:O3*         120.000  150.000 100.00 100.00  
1:G_1:C5*          1:G_1:C4*          1:G_1:C3*          1:G_1:O3*            75.000   85.000 100.00 100.00  
1:A_2:C5*          1:A_2:C4*          1:A_2:C3*          1:A_2:O3*            75.000   85.000 100.00 100.00  
1:A_3:C5*          1:A_3:C4*          1:A_3:C3*          1:A_3:O3*            75.000   85.000 100.00 100.00  
1:G_4:C5*          1:G_4:C4*          1:G_4:C3*          1:G_4:O3*            75.000   85.000 100.00 100.00  
1:A_5:C5*          1:A_5:C4*          1:A_5:C3*          1:A_5:O3*            75.000   85.000 100.00 100.00  
1:G_6:C5*          1:G_6:C4*          1:G_6:C3*          1:G_6:O3*            75.000   85.000 100.00 100.00  
1:A_7:C5*          1:A_7:C4*          1:A_7:C3*          1:A_7:O3*            75.000   85.000 100.00 100.00  
1:A_8:C5*          1:A_8:C4*          1:A_8:C3*          1:A_8:O3*            75.000   85.000 100.00 100.00  
1:G_9:C5*          1:G_9:C4*          1:G_9:C3*          1:G_9:O3*            75.000   85.000 100.00 100.00  
1:C_10:C5*         1:C_10:C4*         1:C_10:C3*         1:C_10:O3*           75.000   85.000 100.00 100.00  
!
!CHI
1:G_1B:O4*         1:G_1B:C1*         1:G_1B:N9          1:G_1B:C4          -140.000 -100.000 100.00 100.00  
1:C_2B:O4*        1:C_2B:C1*        1:C_2B:N1         1:C_2B:C2         -125.000 -110.000 100.00 100.00  
1:T_3B:O4*        1:T_3B:C1*        1:T_3B:N1         1:T_3B:C2         -120.000 -105.000 100.00 100.00  
1:T_4B:O4*        1:T_4B:C1*        1:T_4B:N1         1:T_4B:C2         -135.000 -115.000 100.00 100.00  
1:C_5B:O4*        1:C_5B:C1*        1:C_5B:N1         1:C_5B:C2         -140.000 -100.000 100.00 100.00  
1:T_6B:O4*        1:T_6B:C1*        1:T_6B:N1         1:T_6B:C2         -150.000 -120.000 100.00 100.00  
1:C_7B:O4*        1:C_7B:C1*        1:C_7B:N1         1:C_7B:C2         -150.000 -120.000 100.00 100.00  
1:T_8B:O4*        1:T_8B:C1*        1:T_8B:N1         1:T_8B:C2         -135.000 -105.000 100.00 100.00  
1:T_9B:O4*        1:T_9B:C1*        1:T_9B:N1         1:T_9B:C2         -130.000 -105.000 100.00 100.00  
1:C_10B:O4*        1:C_10B:C1*        1:C_10B:N1         1:C_10B:C2         -140.000 -110.000 100.00 100.00  
1:G_1:O4*          1:G_1:C1*          1:G_1:N9           1:G_1:C4           -180.000 -150.000 100.00 100.00  
1:A_2:O4*          1:A_2:C1*          1:A_2:N9           1:A_2:C4           -180.000 -150.000 100.00 100.00  
1:A_3:O4*          1:A_3:C1*          1:A_3:N9           1:A_3:C4           -180.000 -150.000 100.00 100.00  
1:G_4:O4*          1:G_4:C1*          1:G_4:N9           1:G_4:C4           -180.000 -150.000 100.00 100.00  
1:A_5:O4*          1:A_5:C1*          1:A_5:N9           1:A_5:C4           -180.000 -150.000 100.00 100.00  
1:G_6:O4*          1:G_6:C1*          1:G_6:N9           1:G_6:C4           -180.000 -150.000 100.00 100.00  
1:A_7:O4*          1:A_7:C1*          1:A_7:N9           1:A_7:C4           -180.000 -150.000 100.00 100.00  
1:A_8:O4*          1:A_8:C1*          1:A_8:N9           1:A_8:C4           -180.000 -150.000 100.00 100.00  
1:G_9:O4*          1:G_9:C1*          1:G_9:N9           1:G_9:C4           -180.000 -150.000 100.00 100.00  
1:C_10:O4*         1:C_10:C1*         1:C_10:N1          1:C_10:C2          -180.000 -150.000 100.00 100.00  
!restraints2:
!
!
#distance
1:G_1:H1*          1:G_1:H8            3.600  3.900 100.00 100.00 
1:G_1:H1*          1:A_2:H8            3.500  4.800 100.00 100.00 
1:G_1:H2*1         1:G_1:H8            3.000  4.500 100.00 100.00 
1:G_1:H2*1         1:A_2:H8            2.000  3.000 100.00 100.00 
1:G_1:H3*          1:G_1:H8            3.000  4.000 100.00 100.00 
1:G_1:H4*          1:G_1:H8            3.000  5.000 100.00 100.00 
1:G_1:H1*          1:G_1:H4*           3.000  4.000 100.00 100.00 
1:G_1:H8           1:A_2:H8            4.000  6.000 100.00 100.00 
1:G_1:H1*          1:G_1:H2*1          1.500  2.800 100.00 100.00 
!
1:A_2:H1*          1:A_2:H8            3.500  4.200 100.00 100.00 
1:A_2:H1*          1:A_3:H8            3.500  4.800 100.00 100.00 
1:A_2:H2*1         1:A_2:H8            3.000  4.500 100.00 100.00 
1:A_2:H2*1         1:A_3:H8            2.000  3.000 100.00 100.00 
1:A_2:H1*          1:A_2:H4*           3.000  4.000 100.00 100.00 
1:A_2:H8           1:A_3:H8            4.000  6.000 100.00 100.00 
1:A_2:H2           1:A_3:H1*           3.000  4.000 100.00 100.00 
1:A_2:H1*          1:A_2:H2*1          1.500  2.800 100.00 100.00 
!
1:A_3:H1*          1:A_3:H8            3.500  4.200 100.00 100.00 
1:A_3:H1*          1:G_4:H8            3.500  4.800 100.00 100.00 
1:A_3:H2*1         1:A_3:H8            3.000  4.500 100.00 100.00 
1:A_3:H2*1         1:G_4:H8            2.000  3.000 100.00 100.00 
1:A_3:H3*          1:G_4:H8            2.500  5.000 100.00 100.00 
1:A_3:H1*          1:A_3:H4*           3.000  4.000 100.00 100.00 
1:A_3:H8           1:G_4:H8            4.000  6.000 100.00 100.00 
1:A_3:H2           1:G_4:H1*           2.500  4.000 100.00 100.00 
1:A_3:H1*          1:A_3:H2*1          1.500  2.800 100.00 100.00 
!
1:G_4:H1*          1:G_4:H8            3.500  4.200 100.00 100.00 
1:G_4:H1*          1:A_5:H8            3.500  4.800 100.00 100.00 
1:G_4:H2*1         1:G_4:H8            3.000  5.000 100.00 100.00 
1:G_4:H2*1         1:A_5:H8            2.000  4.000 100.00 100.00 
1:G_4:H3*          1:G_4:H8            2.500  3.500 100.00 100.00 
1:G_4:H3*          1:A_5:H8            2.500  4.000 100.00 100.00 
1:G_4:H1*          1:G_4:H4*           3.000  4.000 100.00 100.00 
1:G_4:H8           1:A_5:H8            4.000  6.000 100.00 100.00 
1:G_4:H1*          1:G_4:H2*1          1.500  2.800 100.00 100.00 
!
1:A_5:H1*          1:A_5:H8            3.500  4.200 100.00 100.00 
1:A_5:H1*          1:G_6:H8            3.500  4.800 100.00 100.00 
1:A_5:H2*1         1:A_5:H8            2.000  5.000 100.00 100.00 
1:A_5:H2*1         1:G_6:H8            2.500  3.500 100.00 100.00 
1:A_5:H3*          1:G_6:H8            2.500  4.000 100.00 100.00 
1:A_5:H1*          1:A_5:H4*           3.000  4.000 100.00 100.00 
1:A_5:H8           1:G_6:H8            4.000  6.000 100.00 100.00 
1:A_5:H2           1:G_6:H1*           2.400  4.000 100.00 100.00 
1:A_5:H1*          1:A_5:H2*1          1.500  2.800 100.00 100.00 
!
1:G_6:H1*          1:G_6:H8            3.500  4.200 100.00 100.00 
1:G_6:H1*          1:A_7:H8            3.500  4.800 100.00 100.00 
1:G_6:H2*1         1:G_6:H8            3.000  4.500 100.00 100.00 
1:G_6:H2*1         1:A_7:H8            2.000  3.000 100.00 100.00 
1:G_6:H3*          1:G_6:H8            2.000  3.000 100.00 100.00 
1:G_6:H3*          1:A_7:H8            2.500  4.000 100.00 100.00 
1:G_6:H4*          1:G_6:H8            3.000  5.000 100.00 100.00 
1:G_6:H1*          1:G_6:H4*           3.000  4.000 100.00 100.00 
1:G_6:H8           1:A_7:H8            4.000  6.000 100.00 100.00 
1:G_6:H1*          1:G_6:H2*1          1.500  2.800 100.00 100.00 

1:A_7:H1*          1:A_7:H8            3.500  4.200 100.00 100.00 
1:A_7:H1*          1:A_8:H8            3.500  4.800 100.00 100.00 
1:A_7:H2*1         1:A_7:H8            2.000  5.000 100.00 100.00 
1:A_7:H2*1         1:A_8:H8            2.000  3.000 100.00 100.00 
1:A_7:H1*          1:A_7:H4*           3.000  4.000 100.00 100.00 
1:A_7:H8           1:A_8:H8            4.000  6.000 100.00 100.00 
1:A_7:H2           1:A_8:H1*           2.000  4.000 100.00 100.00 
1:A_7:H1*          1:A_7:H2*1          1.500  2.800 100.00 100.00 

1:A_8:H1*          1:A_8:H8            3.500  4.200 100.00 100.00 
1:A_8:H1*          1:G_9:H8            2.000  5.200 100.00 100.00 
1:A_8:H2*1         1:A_8:H8            3.000  4.500 100.00 100.00 
1:A_8:H2*1         1:G_9:H8            2.000  2.700 100.00 100.00 
1:A_8:H1*          1:A_8:H4*           3.000  4.000 100.00 100.00 
1:A_8:H8           1:G_9:H8            4.000  6.000 100.00 100.00 
1:A_8:H2           1:G_9:H1*           2.000  4.000 100.00 100.00 
1:A_8:H1*          1:A_8:H2*1          1.500  2.800 100.00 100.00 

1:G_9:H1*          1:G_9:H8            3.500  4.200 100.00 100.00 
1:G_9:H1*          1:C_10:H6           3.500  4.500 100.00 100.00 
1:G_9:H2*1         1:G_9:H8            3.000  4.000 100.00 100.00 
1:G_9:H2*1         1:C_10:H6           2.000  2.500 100.00 100.00 
1:G_9:H3*          1:C_10:H6           2.500  4.000 100.00 100.00 
1:G_9:H1*          1:G_9:H4*           3.000  4.000 100.00 100.00 
1:G_9:H8           1:C_10:H6           4.000  6.000 100.00 100.00 
1:G_9:H8           1:C_10:H5           3.000  4.500 100.00 100.00 
1:G_9:H1*          1:G_9:H2*1          1.500  2.800 100.00 100.00 

1:C_10:H1*         1:C_10:H6           3.500  4.200 100.00 100.00 
1:C_10:H2*1        1:C_10:H6           2.500  4.000 100.00 100.00 
1:C_10:H3*         1:C_10:H6           2.000  3.000 100.00 100.00 
1:C_10:H4*         1:C_10:H6           3.000  5.000 100.00 100.00 
1:C_10:H1*         1:C_10:H4*          3.000  4.000 100.00 100.00 
1:C_10:H1*         1:C_10:H2*1         1.500  2.800 100.00 100.00 
!
!
!
!
1:G_1B:H1*         1:G_1B:H8           3.500  4.000 100.00 100.00 
1:G_1B:H1*         1:C_2B:H6          3.500  5.000 100.00 100.00 
1:G_1B:H2*2        1:G_1B:H8           2.500  5.000 100.00 100.00 
1:G_1B:H2*1        1:G_1B:H8           2.500  4.000 100.00 100.00 
1:G_1B:H2*2        1:C_2B:H6          2.300  3.500 100.00 100.00 
1:G_1B:H2*1        1:C_2B:H6          2.000  3.000 100.00 100.00 
1:G_1B:H3*         1:G_1B:H8           3.000  4.200 100.00 100.00 
1:G_1B:H4*         1:G_1B:H8           3.000  5.000 100.00 100.00 
1:G_1B:H1*         1:G_1B:H4*          3.000  4.000 100.00 100.00 
1:G_1B:H8          1:C_2B:H6          4.000  5.000 100.00 100.00 
1:G_1B:O6          1:C_10:N4           2.700  3.000 100.00 100.00 
1:G_1B:O6          1:C_10:N3           2.700  3.000 100.00 100.00 
1:G_1B:N2          1:C_10:O2           2.700  3.000 100.00 100.00 
!
1:C_2B:H2*2       1:C_2B:H6          2.000  2.700 100.00 100.00 
1:C_2B:H2*1       1:C_2B:H6          2.000  5.000 100.00 100.00 
1:C_2B:H2*2       1:T_3B:H6          2.000  3.500 100.00 100.00 
1:C_2B:H2*1       1:T_3B:H6          2.400  3.500 100.00 100.00 
1:C_2B:H3*        1:C_2B:H6          2.500  4.000 100.00 100.00 
1:C_2B:H4*        1:C_2B:H6          3.000  5.000 100.00 100.00 
1:C_2B:H1*        1:C_2B:H4*         3.000  4.000 100.00 100.00 
1:C_2B:H6         1:PR_3B:H91         2.400  3.500 100.00 100.00 
1:C_2B:H6         1:T_3B:H6          4.000  5.000 100.00 100.00 
1:C_2B:O2         1:G_9:N2            2.700  3.000 100.00 100.00 
1:C_2B:N3         1:G_9:N1            2.700  3.000 100.00 100.00 
1:C_2B:N4         1:G_9:O6            2.700  3.000 100.00 100.00 
!
1:T_3B:H1*        1:T_3B:H6          3.500  4.000 100.00 100.00 
1:T_3B:H1*        1:T_4B:H6          3.500  5.000 100.00 100.00 
1:T_3B:H2*2       1:T_3B:H6          2.000  2.700 100.00 100.00 
1:T_3B:H2*1       1:T_3B:H6          2.500  4.000 100.00 100.00 
1:T_3B:H2*2       1:T_4B:H6          2.000  3.500 100.00 100.00 
1:T_3B:H2*1       1:T_4B:H6          2.500  3.500 100.00 100.00 
1:T_3B:H3*        1:T_3B:H6          3.000  4.200 100.00 100.00 
1:T_3B:H4*        1:T_3B:H6          3.000  5.000 100.00 100.00 
1:T_3B:H1*        1:T_3B:H4*         3.000  4.000 100.00 100.00 
1:T_3B:H6         1:PR_4B:H91         2.300  3.000 100.00 100.00 
1:T_3B:H6         1:T_4B:H6          4.000  5.000 100.00 100.00 
1:T_3B:O4         1:A_8:N6            2.700  3.000 100.00 100.00 
1:T_3B:N3         1:A_8:N1            2.700  3.000 100.00 100.00 
!
1:T_4B:H1*        1:T_4B:H6          3.500  4.000 100.00 100.00 
1:T_4B:H2*2       1:T_4B:H6          2.000  2.700 100.00 100.00 
1:T_4B:H2*1       1:T_4B:H6          2.500  4.000 100.00 100.00 
1:T_4B:H2*2       1:C_5B:H6          2.300  3.500 100.00 100.00 
1:T_4B:H2*1       1:C_5B:H6          2.000  3.000 100.00 100.00 
1:T_4B:H3*        1:T_4B:H6          3.000  4.200 100.00 100.00 
1:T_4B:H3*        1:C_5B:H6          4.000  6.000 100.00 100.00 
1:T_4B:H4*        1:T_4B:H6          3.000  5.000 100.00 100.00 
1:T_4B:H1*        1:T_4B:H4*         3.000  4.000 100.00 100.00 
1:T_4B:H6         1:PR_5B:H91         2.500  3.100 100.00 100.00 
1:T_4B:H6         1:C_5B:H6          4.000  5.000 100.00 100.00 
1:T_4B:O4         1:A_7:N6            2.700  3.000 100.00 100.00 
1:T_4B:N3         1:A_7:N1            2.700  3.000 100.00 100.00 
!
1:C_5B:H1*        1:C_5B:H6          3.500  4.000 100.00 100.00 
1:C_5B:H1*        1:T_6B:H6          3.400  5.000 100.00 100.00 
1:C_5B:H2*1       1:C_5B:H6          2.600  4.000 100.00 100.00 
1:C_5B:H2*2       1:T_6B:H6          2.000  3.500 100.00 100.00 
1:C_5B:H2*1       1:T_6B:H6          2.400  3.500 100.00 100.00 
1:C_5B:H3*        1:C_5B:H6          3.000  5.000 100.00 100.00 
1:C_5B:H3*        1:T_6B:H6          4.000  6.000 100.00 100.00 
1:C_5B:H4*        1:C_5B:H6          3.000  5.000 100.00 100.00 
1:C_5B:H6         1:PR_6B:H91         2.500  3.500 100.00 100.00 
1:C_5B:H6         1:T_6B:H6          4.000  5.000 100.00 100.00 
1:C_5B:N4         1:G_6:O6            2.700  3.000 100.00 100.00 
1:C_5B:N3         1:G_6:N1            2.700  3.000 100.00 100.00 
1:C_5B:O2         1:G_6:N2            2.700  3.000 100.00 100.00 
!
1:T_6B:H1*        1:T_6B:H6          3.500  4.000 100.00 100.00 
1:T_6B:H1*        1:C_7B:H6          3.300  5.000 100.00 100.00 
1:T_6B:H2*2       1:T_6B:H6          2.300  3.200 100.00 100.00 
1:T_6B:H2*1       1:T_6B:H6          2.600  4.000 100.00 100.00 
1:T_6B:H2*2       1:C_7B:H6          2.400  3.500 100.00 100.00 
1:T_6B:H2*1       1:C_7B:H6          2.400  3.500 100.00 100.00 
1:T_6B:H3*        1:C_7B:H6          4.000  6.000 100.00 100.00 
1:T_6B:H4*        1:T_6B:H6          3.000  5.000 100.00 100.00 
1:T_6B:H1*        1:T_6B:H4*         3.000  4.000 100.00 100.00 
1:T_6B:H6         1:PR_7B:H91         2.800  3.800 100.00 100.00 
1:T_6B:H6         1:C_7B:H6          4.000  5.000 100.00 100.00 
1:T_6B:O4         1:A_5:N6            2.700  3.000 100.00 100.00 
1:T_6B:N3         1:A_5:N1            2.700  3.000 100.00 100.00 
!
1:C_7B:H1*        1:C_7B:H6          3.500  4.000 100.00 100.00 
1:C_7B:H1*        1:T_8B:H6          3.600  5.000 100.00 100.00 
1:C_7B:H2*2       1:C_7B:H6          2.400  3.000 100.00 100.00 
1:C_7B:H2*1       1:C_7B:H6          2.400  4.000 100.00 100.00 
1:C_7B:H2*2       1:T_8B:H6          2.300  3.500 100.00 100.00 
1:C_7B:H2*1       1:T_8B:H6          2.400  3.500 100.00 100.00 
1:C_7B:H3*        1:T_8B:H6          4.000  6.000 100.00 100.00 
1:C_7B:H4*        1:C_7B:H6          3.000  5.000 100.00 100.00 
1:C_7B:H6         1:PR_8B:H91         2.500  3.500 100.00 100.00 
1:C_7B:N4         1:G_4:O6            2.700  3.000 100.00 100.00 
1:C_7B:N3         1:G_4:N1            2.700  3.000 100.00 100.00 
1:C_7B:O2         1:G_4:N2            2.700  3.000 100.00 100.00 
!
1:T_8B:H1*        1:T_8B:H6          3.500  4.000 100.00 100.00 
1:T_8B:H1*        1:T_9B:H6          3.500  5.000 100.00 100.00 
1:T_8B:H2*2       1:T_8B:H6          2.000  2.600 100.00 100.00 
1:T_8B:H2*1       1:T_8B:H6          2.800  4.000 100.00 100.00 
1:T_8B:H2*2       1:T_9B:H6          2.300  3.500 100.00 100.00 
1:T_8B:H2*1       1:T_9B:H6          2.400  3.000 100.00 100.00 
1:T_8B:H4*        1:T_8B:H6          3.000  5.000 100.00 100.00 
1:T_8B:H1*        1:T_8B:H4*         3.000  4.000 100.00 100.00 
1:T_8B:H6         1:PR_9B:H91         2.300  3.300 100.00 100.00 
1:T_8B:O4         1:A_3:N6            2.700  3.000 100.00 100.00 
1:T_8B:N3         1:A_3:N1            2.700  3.000 100.00 100.00 
!
1:T_9B:H1*        1:T_9B:H6          3.500  4.000 100.00 100.00 
1:T_9B:H1*        1:C_10B:H6          4.000  5.000 100.00 100.00 
1:T_9B:H2*2       1:T_9B:H6          2.000  2.600 100.00 100.00 
1:T_9B:H2*1       1:T_9B:H6          3.000  4.000 100.00 100.00 
1:T_9B:H2*2       1:C_10B:H6          2.500  4.000 100.00 100.00 
1:T_9B:H2*1       1:C_10B:H6          2.000  3.000 100.00 100.00 
1:T_9B:H4*        1:T_9B:H6          3.000  5.000 100.00 100.00 
1:T_9B:H1*        1:T_9B:H4*         3.000  4.000 100.00 100.00 
1:T_9B:H6         1:C_10B:H5          3.000  4.500 100.00 100.00 
1:T_9B:O4         1:A_2:N6            2.700  3.000 100.00 100.00 
1:T_9B:N3         1:A_2:N1            2.700  3.000 100.00 100.00 
!
1:C_10B:H1*        1:C_10B:H6          3.500  4.000 100.00 100.00 
1:C_10B:H2*2       1:C_10B:H6          2.200  2.800 100.00 100.00 
1:C_10B:H2*1       1:C_10B:H6          2.500  4.000 100.00 100.00 
1:C_10B:H1*        1:C_10B:H4*         2.600  3.500 100.00 100.00 
1:C_10B:N4         1:G_1:O6            2.700  3.000 100.00 100.00 
1:C_10B:N3         1:G_1:N1            2.700  3.000 100.00 100.00 
1:C_10B:O2         1:G_1:N2            2.700  3.000 100.00 100.00 
!
!
!
!
#NMR_dihedral
!
!GAMMA
1:G_1:O5*          1:G_1:C5*          1:G_1:C4*          1:G_1:C3*            50.000   70.000 100.00 100.00  
1:A_2:O5*          1:A_2:C5*          1:A_2:C4*          1:A_2:C3*            50.000   70.000 100.00 100.00  
1:A_3:O5*          1:A_3:C5*          1:A_3:C4*          1:A_3:C3*            50.000   70.000 100.00 100.00  
1:G_4:O5*          1:G_4:C5*          1:G_4:C4*          1:G_4:C3*            50.000   70.000 100.00 100.00  
1:A_5:O5*          1:A_5:C5*          1:A_5:C4*          1:A_5:C3*            50.000   70.000 100.00 100.00  
1:G_6:O5*          1:G_6:C5*          1:G_6:C4*          1:G_6:C3*            50.000   70.000 100.00 100.00  
1:A_7:O5*          1:A_7:C5*          1:A_7:C4*          1:A_7:C3*            50.000   70.000 100.00 100.00  
1:A_8:O5*          1:A_8:C5*          1:A_8:C4*          1:A_8:C3*            50.000   70.000 100.00 100.00  
1:G_9:O5*          1:G_9:C5*          1:G_9:C4*          1:G_9:C3*            50.000   70.000 100.00 100.00  
1:C_10:O5*         1:C_10:C5*         1:C_10:C4*         1:C_10:C3*           50.000   70.000 100.00 100.00  
1:G_1B:O5*         1:G_1B:C5*         1:G_1B:C4*         1:G_1B:C3*           50.000   70.000 100.00 100.00  
1:C_2B:O5*        1:C_2B:C5*        1:C_2B:C4*        1:C_2B:C3*          50.000   70.000 100.00 100.00  
1:T_3B:O5*        1:T_3B:C5*        1:T_3B:C4*        1:T_3B:C3*          50.000   70.000 100.00 100.00  
1:T_4B:O5*        1:T_4B:C5*        1:T_4B:C4*        1:T_4B:C3*          50.000   70.000 100.00 100.00  
1:C_5B:O5*        1:C_5B:C5*        1:C_5B:C4*        1:C_5B:C3*          50.000   70.000 100.00 100.00  
1:T_6B:O5*        1:T_6B:C5*        1:T_6B:C4*        1:T_6B:C3*          50.000   70.000 100.00 100.00  
1:C_7B:O5*        1:C_7B:C5*        1:C_7B:C4*        1:C_7B:C3*          50.000   70.000 100.00 100.00  
1:T_8B:O5*        1:T_8B:C5*        1:T_8B:C4*        1:T_8B:C3*          50.000   70.000 100.00 100.00  
1:T_9B:O5*        1:T_9B:C5*        1:T_9B:C4*        1:T_9B:C3*          50.000   70.000 100.00 100.00  
1:C_10B:O5*        1:C_10B:C5*        1:C_10B:C4*        1:C_10B:C3*          50.000   70.000 100.00 100.00  
!
!DELTA
1:G_1:C5*          1:G_1:C4*          1:G_1:C3*          1:G_1:O3*            75.000   85.000 100.00 100.00  
1:A_2:C5*          1:A_2:C4*          1:A_2:C3*          1:A_2:O3*            75.000   85.000 100.00 100.00  
1:A_3:C5*          1:A_3:C4*          1:A_3:C3*          1:A_3:O3*            75.000   85.000 100.00 100.00  
1:G_4:C5*          1:G_4:C4*          1:G_4:C3*          1:G_4:O3*            75.000   85.000 100.00 100.00  
1:A_5:C5*          1:A_5:C4*          1:A_5:C3*          1:A_5:O3*            75.000   85.000 100.00 100.00  
1:G_6:C5*          1:G_6:C4*          1:G_6:C3*          1:G_6:O3*            75.000   85.000 100.00 100.00  
1:A_7:C5*          1:A_7:C4*          1:A_7:C3*          1:A_7:O3*            75.000   85.000 100.00 100.00  
1:A_8:C5*          1:A_8:C4*          1:A_8:C3*          1:A_8:O3*            75.000   85.000 100.00 100.00  
1:G_9:C5*          1:G_9:C4*          1:G_9:C3*          1:G_9:O3*            75.000   85.000 100.00 100.00  
1:C_10:C5*         1:C_10:C4*         1:C_10:C3*         1:C_10:O3*           75.000   85.000 100.00 100.00  
1:G_1B:C5*         1:G_1B:C4*         1:G_1B:C3*         1:G_1B:O3*           75.000   85.000 100.00 100.00  
1:C_2B:C5*        1:C_2B:C4*        1:C_2B:C3*        1:C_2B:O3*          75.000   85.000 100.00 100.00  
1:T_3B:C5*        1:T_3B:C4*        1:T_3B:C3*        1:T_3B:O3*          75.000   85.000 100.00 100.00  
1:T_4B:C5*        1:T_4B:C4*        1:T_4B:C3*        1:T_4B:O3*          75.000   85.000 100.00 100.00  
1:C_5B:C5*        1:C_5B:C4*        1:C_5B:C3*        1:C_5B:O3*          75.000   85.000 100.00 100.00  
1:T_6B:C5*        1:T_6B:C4*        1:T_6B:C3*        1:T_6B:O3*          75.000   85.000 100.00 100.00  
1:C_7B:C5*        1:C_7B:C4*        1:C_7B:C3*        1:C_7B:O3*          75.000   85.000 100.00 100.00  
1:T_8B:C5*        1:T_8B:C4*        1:T_8B:C3*        1:T_8B:O3*          75.000   85.000 100.00 100.00  
1:T_9B:C5*        1:T_9B:C4*        1:T_9B:C3*        1:T_9B:O3*          75.000   85.000 100.00 100.00  
1:C_10B:C5*        1:C_10B:C4*        1:C_10B:C3*        1:C_10B:O3*          75.000   85.000 100.00 100.00  
!
CHI
1:G_1:O4*          1:G_1:C1*          1:G_1:N9           1:G_1:C4           -180.000 -150.000 100.00 100.00  
1:A_2:O4*          1:A_2:C1*          1:A_2:N9           1:A_2:C4           -180.000 -150.000 100.00 100.00  
1:A_3:O4*          1:A_3:C1*          1:A_3:N9           1:A_3:C4           -180.000 -150.000 100.00 100.00  
1:G_4:O4*          1:G_4:C1*          1:G_4:N9           1:G_4:C4           -180.000 -150.000 100.00 100.00  
1:A_5:O4*          1:A_5:C1*          1:A_5:N9           1:A_5:C4           -180.000 -150.000 100.00 100.00  
1:G_6:O4*          1:G_6:C1*          1:G_6:N9           1:G_6:C4           -180.000 -150.000 100.00 100.00  
1:A_7:O4*          1:A_7:C1*          1:A_7:N9           1:A_7:C4           -180.000 -150.000 100.00 100.00  
1:A_8:O4*          1:A_8:C1*          1:A_8:N9           1:A_8:C4           -180.000 -150.000 100.00 100.00  
1:G_9:O4*          1:G_9:C1*          1:G_9:N9           1:G_9:C4           -180.000 -150.000 100.00 100.00  
1:C_10:O4*         1:C_10:C1*         1:C_10:N1          1:C_10:C2          -180.000 -150.000 100.00 100.00  
1:G_1B:O4*         1:G_1B:C1*         1:G_1B:N9          1:G_1B:C4          -180.000 -150.000 100.00 100.00  
1:C_2B:O4*        1:C_2B:C1*        1:C_2B:N1         1:C_2B:C2         -180.000 -150.000 100.00 100.00  
1:T_3B:O4*        1:T_3B:C1*        1:T_3B:N1         1:T_3B:C2         -180.000 -150.000 100.00 100.00  
1:T_4B:O4*        1:T_4B:C1*        1:T_4B:N1         1:T_4B:C2         -180.000 -150.000 100.00 100.00  
1:C_5B:O4*        1:C_5B:C1*        1:C_5B:N1         1:C_5B:C2         -180.000 -150.000 100.00 100.00  
1:T_6B:O4*        1:T_6B:C1*        1:T_6B:N1         1:T_6B:C2         -180.000 -150.000 100.00 100.00  
1:C_7B:O4*        1:C_7B:C1*        1:C_7B:N1         1:C_7B:C2         -180.000 -150.000 100.00 100.00  
1:T_8B:O4*        1:T_8B:C1*        1:T_8B:N1         1:T_8B:C2         -180.000 -150.000 100.00 100.00  
1:T_9B:O4*        1:T_9B:C1*        1:T_9B:N1         1:T_9B:C2         -180.000 -150.000 100.00 100.00  
1:C_10B:O4*        1:C_10B:C1*        1:C_10B:N1         1:C_10B:C2         -180.000 -150.000 100.00 100.00  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1 -10.836 -11.698  -6.087
    2   2H5*    G   1          2H5*        G   1 -10.862 -10.063  -5.410
    3    H4*    G   1           H4*        G   1 -11.437 -11.835  -3.789
    4    H3*    G   1           H3*        G   1  -9.056 -10.130  -3.120
    5    H2*    G   1           H2*        G   1  -9.027 -11.293  -1.000
    6   2HO*    G   1          2HO*        G   1 -11.384 -11.396  -0.960
    7    H1*    G   1           H1*        G   1  -9.327 -13.750  -2.034
    8    H8     G   1           H8         G   1  -7.115 -12.187  -4.615
    9    H1     G   1           H1         G   1  -4.200 -13.785   0.918
   10   1H2     G   1          1H2         G   1  -5.868 -13.992   2.465
   11   2H2     G   1          2H2         G   1  -7.578 -13.749   1.975
   12    H5T    G   1           H5T        G   1  -8.652 -10.038  -5.418
   13   1H5*    A   2          1H5*        A   2 -11.601  -9.710   0.326
   14   2H5*    A   2          2H5*        A   2 -11.454  -8.028   0.849
   15    H4*    A   2           H4*        A   2 -10.839  -9.639   2.602
   16    H3*    A   2           H3*        A   2  -8.686  -7.776   1.689
   17    H2*    A   2           H2*        A   2  -7.314  -8.713   3.440
   18   2HO*    A   2          2HO*        A   2  -8.273  -9.390   5.158
   19    H1*    A   2           H1*        A   2  -7.858 -11.276   2.875
   20    H8     A   2           H8         A   2  -7.871  -9.448  -0.456
   21   1H6     A   2          1H6         A   2  -1.743 -10.460  -0.210
   22   2H6     A   2          2H6         A   2  -3.093  -9.984  -1.281
   23    H2     A   2           H2         A   2  -3.342 -11.311   3.723
   24   1H5*    A   3          1H5*        A   3  -8.758  -7.432   5.926
   25   2H5*    A   3          2H5*        A   3  -8.435  -5.739   6.327
   26    H4*    A   3           H4*        A   3  -6.854  -7.272   7.380
   27    H3*    A   3           H3*        A   3  -5.656  -5.327   5.428
   28    H2*    A   3           H2*        A   3  -3.510  -6.172   6.237
   29   2HO*    A   3          2HO*        A   3  -4.425  -6.409   8.405
   30    H1*    A   3           H1*        A   3  -4.153  -8.766   6.029
   31    H8     A   3           H8         A   3  -5.948  -6.963   3.185
   32   1H6     A   3          1H6         A   3  -0.465  -7.480   0.272
   33   2H6     A   3          2H6         A   3  -2.190  -7.047   0.086
   34    H2     A   3           H2         A   3   0.170  -8.505   4.449
   35   1H5*    G   4          1H5*        G   4  -3.522  -4.844   9.121
   36   2H5*    G   4          2H5*        G   4  -3.123  -3.127   9.292
   37    H4*    G   4           H4*        G   4  -1.164  -4.622   9.364
   38    H3*    G   4           H3*        G   4  -1.221  -2.590   7.147
   39    H2*    G   4           H2*        G   4   1.057  -3.333   6.692
   40   2HO*    G   4          2HO*        G   4   1.345  -3.602   9.056
   41    H1*    G   4           H1*        G   4   0.506  -5.977   6.847
   42    H8     G   4           H8         G   4  -2.503  -4.387   5.156
   43    H1     G   4           H1         G   4   2.713  -5.047   1.412
   44   1H2     G   4          1H2         G   4   4.480  -5.462   2.823
   45   2H2     G   4          2H2         G   4   4.150  -5.699   4.570
   46   1H5*    A   5          1H5*        A   5   2.470  -1.928   9.196
   47   2H5*    A   5          2H5*        A   5   2.794  -0.190   9.168
   48    H4*    A   5           H4*        A   5   4.580  -1.530   8.178
   49    H3*    A   5           H3*        A   5   3.237   0.405   6.308
   50    H2*    A   5           H2*        A   5   5.030  -0.218   4.743
   51   2HO*    A   5          2HO*        A   5   6.477  -0.443   6.657
   52    H1*    A   5           H1*        A   5   4.740  -2.843   5.055
   53    H8     A   5           H8         A   5   1.236  -1.431   5.492
   54   1H6     A   5          1H6         A   5   1.146  -1.533  -0.747
   55   2H6     A   5          2H6         A   5   0.161  -1.381   0.736
   56    H2     A   5           H2         A   5   5.258  -2.208   0.528
   57   1H5*    G   6          1H5*        G   6   7.331   1.249   6.028
   58   2H5*    G   6          2H5*        G   6   7.554   2.997   5.864
   59    H4*    G   6           H4*        G   6   8.541   1.682   4.036
   60    H3*    G   6           H3*        G   6   6.385   3.616   3.224
   61    H2*    G   6           H2*        G   6   7.059   3.051   0.945
   62   2HO*    G   6          2HO*        G   6   9.314   2.899   1.745
   63    H1*    G   6           H1*        G   6   7.156   0.376   1.371
   64    H8     G   6           H8         G   6   4.145   1.615   3.323
   65    H1     G   6           H1         G   6   3.331   1.351  -3.073
   66   1H2     G   6          1H2         G   6   5.428   1.097  -3.986
   67   2H2     G   6          2H2         G   6   6.832   0.895  -2.888
   68   1H5*    A   7          1H5*        A   7   9.878   4.648   0.893
   69   2H5*    A   7          2H5*        A   7   9.869   6.401   0.656
   70    H4*    A   7           H4*        A   7   9.908   5.089  -1.431
   71    H3*    A   7           H3*        A   7   7.575   6.942  -1.054
   72    H2*    A   7           H2*        A   7   6.978   6.336  -3.345
   73   2HO*    A   7          2HO*        A   7   9.311   6.228  -3.853
   74    H1*    A   7           H1*        A   7   7.278   3.683  -3.016
   75    H8     A   7           H8         A   7   5.984   4.914   0.325
   76   1H6     A   7          1H6         A   7   0.421   4.763  -2.461
   77   2H6     A   7          2H6         A   7   1.282   4.821  -0.895
   78    H2     A   7           H2         A   7   3.444   4.350  -5.561
   79   1H5*    A   8          1H5*        A   8   9.277   7.900  -4.902
   80   2H5*    A   8          2H5*        A   8   9.179   9.653  -5.118
   81    H4*    A   8           H4*        A   8   8.068   8.365  -6.916
   82    H3*    A   8           H3*        A   8   6.312  10.182  -5.293
   83    H2*    A   8           H2*        A   8   4.579   9.641  -6.895
   84   2HO*    A   8          2HO*        A   8   5.209   9.273  -8.846
   85    H1*    A   8           H1*        A   8   5.031   6.974  -6.842
   86    H8     A   8           H8         A   8   5.643   8.155  -3.040
   87   1H6     A   8          1H6         A   8  -0.571   8.011  -2.814
   88   2H6     A   8          2H6         A   8   0.975   8.141  -1.924
   89    H2     A   8           H2         A   8   0.425   7.648  -7.038
   90   1H5*    G   9          1H5*        G   9   5.856  11.131  -9.488
   91   2H5*    G   9          2H5*        G   9   5.648  12.877  -9.692
   92    H4*    G   9           H4*        G   9   3.812  11.523 -10.708
   93    H3*    G   9           H3*        G   9   3.074  13.446  -8.519
   94    H2*    G   9           H2*        G   9   0.765  12.818  -8.947
   95   2HO*    G   9          2HO*        G   9   0.131  12.020 -10.772
   96    H1*    G   9           H1*        G   9   1.222  10.171  -9.028
   97    H8     G   9           H8         G   9   3.449  11.543  -6.262
   98    H1     G   9           H1         G   9  -2.793  10.970  -4.752
   99   1H2     G   9          1H2         G   9  -3.928  10.736  -6.716
  100   2H2     G   9          2H2         G   9  -3.005  10.516  -8.228
  101   1H5*    C  10          1H5*        C  10   0.212  14.046 -11.524
  102   2H5*    C  10          2H5*        C  10  -0.015  15.775 -11.806
  103    H4*    C  10           H4*        C  10  -2.159  14.754 -11.253
  104    H3*    C  10           H3*        C  10  -1.058  16.539  -9.064
  105    H2*    C  10           H2*        C  10  -3.164  16.283  -7.968
  106   2HO*    C  10          2HO*        C  10  -4.165  16.220 -10.213
  107    H1*    C  10           H1*        C  10  -3.290  13.581  -8.361
  108   1H4     C  10          1H4         C  10  -0.909  14.321  -2.777
  109   2H4     C  10          2H4         C  10   0.768  14.132  -3.347
  110    H5     C  10           H5         C  10   1.254  14.495  -5.703
  111    H6     C  10           H6         C  10   0.228  14.426  -7.894
  112    H3T    C  10           H3T        C  10  -1.554  17.675 -10.876
  113   1H5*    G   1          1H5*        G   1  -9.147  13.974   3.728
  114   2H5*    G   1          2H5*        G   1  -9.975  12.432   3.997
  115    H4*    G   1           H4*        G   1 -10.647  13.310   1.878
  116    H3*    G   1           H3*        G   1  -9.685  10.735   2.144
  117    H1*    G   1           H1*        G   1  -8.702  13.028  -0.803
  118    H8     G   1           H8         G   1  -6.077  12.923   2.005
  119    H1     G   1           H1         G   1  -3.880  14.311  -3.884
  120   1H2     G   1          1H2         G   1  -5.620  13.984  -5.286
  121   2H2     G   1          2H2         G   1  -7.226  13.522  -4.653
  122    H5T    G   1           H5T        G   1  -7.884  12.046   4.583
  123   2H2*    G   1          2H2*        G   1  -8.467  10.750  -0.288
  124   1H2*    G   1          1H2*        G   1  -7.596  11.093   1.242
  125   1H5*  5PC   2          1H5*      5PC   2 -11.765  10.684  -2.846
  126   2H5*  5PC   2          2H5*      5PC   2 -10.593  11.824  -2.188
  127    H4*  5PC   2           H4*      5PC   2 -10.290  11.251  -4.547
  128    H3*  5PC   2           H3*      5PC   2 -10.434   8.517  -3.776
  129   1H2*  5PC   2          1H2*      5PC   2  -7.960   8.217  -4.986
  130   2H2*  5PC   2          2H2*      5PC   2  -8.190   8.317  -3.192
  131    H1*  5PC   2           H1*      5PC   2  -7.507  10.482  -5.230
  132    H41  5PC   2           1H4      5PC   2  -2.348  10.882  -1.908
  133    H42  5PC   2           2H4      5PC   2  -3.319  10.490  -0.410
  134    H6   5PC   2           H6       5PC   2  -7.317   9.744  -1.666
  135    H91  5PC   2           1H9      5PC   2  -6.397   9.273   2.990
  136    H92  5PC   2           2H9      5PC   2  -4.801   8.474   2.824
  137    H93  5PC   2           3H9      5PC   2  -4.859  10.196   3.185
  138   1H5*  PDU   3          1H5*      PDU   3  -9.188   7.949  -9.078
  139   2H5*  PDU   3          2H5*      PDU   3  -8.442   9.136  -8.003
  140    H4*  PDU   3           H4*      PDU   3  -6.935   8.153  -9.639
  141    H3*  PDU   3           H3*      PDU   3  -7.858   5.572  -8.845
  142   2H2*  PDU   3          2H2*      PDU   3  -6.395   5.356  -7.045
  143    H1*  PDU   3           H1*      PDU   3  -4.391   7.159  -8.463
  144    H6   PDU   3           H6       PDU   3  -6.270   6.586  -5.190
  145    H3   PDU   3           H3       PDU   3  -1.568   7.828  -5.091
  146   1H5M  PDU   3          1H5M      PDU   3  -7.207   7.576  -0.143
  147   2H5M  PDU   3          2H5M      PDU   3  -8.009   6.118  -0.795
  148   3H5M  PDU   3          3H5M      PDU   3  -6.459   6.002   0.127
  149   1H2*  PDU   3          1H2*      PDU   3  -5.223   4.956  -8.354
  150   1H5*  PDU   4          1H5*      PDU   4  -3.745   4.723 -12.361
  151   2H5*  PDU   4          2H5*      PDU   4  -3.771   5.892 -11.042
  152    H4*  PDU   4           H4*      PDU   4  -1.599   4.972 -11.602
  153    H3*  PDU   4           H3*      PDU   4  -2.695   2.347 -11.325
  154   2H2*  PDU   4          2H2*      PDU   4  -2.395   2.259  -9.015
  155    H1*  PDU   4           H1*      PDU   4  -0.017   4.147  -9.243
  156    H6   PDU   4           H6       PDU   4  -3.335   3.693  -7.419
  157    H3   PDU   4           H3       PDU   4   0.731   4.637  -4.907
  158   1H5M  PDU   4          1H5M      PDU   4  -6.918   4.441  -4.012
  159   2H5M  PDU   4          2H5M      PDU   4  -6.818   2.699  -4.295
  160   3H5M  PDU   4          3H5M      PDU   4  -6.152   3.412  -2.770
  161   1H2*  PDU   4          1H2*      PDU   4  -0.697   1.873  -9.469
  162   1H5*  5PC   5          1H5*      5PC   5   2.687   1.690 -12.271
  163   2H5*  5PC   5          2H5*      5PC   5   1.943   2.849 -11.166
  164    H4*  5PC   5           H4*      5PC   5   4.114   1.979 -10.371
  165    H3*  5PC   5           H3*      5PC   5   2.983  -0.663 -10.819
  166   1H2*  5PC   5          1H2*      5PC   5   3.945  -1.058  -8.224
  167   2H2*  5PC   5          2H2*      5PC   5   2.195  -0.844  -8.649
  168    H1*  5PC   5           H1*      5PC   5   4.253   1.248  -7.786
  169    H41  5PC   5           1H4      5PC   5   0.431   1.357  -2.928
  170    H42  5PC   5           2H4      5PC   5  -0.987   1.244  -4.075
  171    H6   5PC   5           H6       5PC   5   0.637   0.944  -7.998
  172    H91  5PC   5           1H9      5PC   5  -4.408   1.398  -6.575
  173    H92  5PC   5           2H9      5PC   5  -4.084  -0.282  -7.021
  174    H93  5PC   5           3H9      5PC   5  -4.204   0.197  -5.282
  175   1H5*  PDU   6          1H5*      PDU   6   8.014  -1.524  -8.946
  176   2H5*  PDU   6          2H5*      PDU   6   6.855  -0.359  -8.302
  177    H4*  PDU   6           H4*      PDU   6   8.372  -1.367  -6.671
  178    H3*  PDU   6           H3*      PDU   6   7.537  -3.934  -7.625
  179   2H2*  PDU   6          2H2*      PDU   6   5.661  -4.059  -6.261
  180    H1*  PDU   6           H1*      PDU   6   6.981  -2.250  -4.200
  181    H6   PDU   6           H6       PDU   6   3.876  -2.506  -6.380
  182    H3   PDU   6           H3       PDU   6   3.421  -1.839  -1.575
  183   1H5M  PDU   6          1H5M      PDU   6  -0.912  -1.446  -7.888
  184   2H5M  PDU   6          2H5M      PDU   6  -0.480  -3.125  -8.260
  185   3H5M  PDU   6          3H5M      PDU   6  -1.536  -2.734  -6.839
  186   1H2*  PDU   6          1H2*      PDU   6   6.877  -4.484  -4.996
  187   1H5*  5PC   7          1H5*      5PC   7  10.687  -4.981  -3.257
  188   2H5*  5PC   7          2H5*      5PC   7   9.434  -3.754  -3.429
  189    H4*  5PC   7           H4*      5PC   7   9.537  -4.703  -1.164
  190    H3*  5PC   7           H3*      5PC   7   9.352  -7.319  -2.469
  191   1H2*  5PC   7          1H2*      5PC   7   7.442  -7.622  -0.401
  192   2H2*  5PC   7          2H2*      5PC   7   7.050  -7.434  -2.162
  193    H1*  5PC   7           H1*      5PC   7   7.314  -5.308   0.025
  194    H41  5PC   7           1H4      5PC   7   1.262  -4.871  -1.065
  195    H42  5PC   7           2H4      5PC   7   1.604  -4.960  -2.857
  196    H6   5PC   7           H6       5PC   7   5.798  -5.668  -3.252
  197    H91  5PC   7           1H9      5PC   7   2.515  -4.816  -7.144
  198    H92  5PC   7           2H9      5PC   7   2.989  -6.513  -7.028
  199    H93  5PC   7           3H9      5PC   7   1.338  -5.986  -6.511
  200   1H5*  PDU   8          1H5*      PDU   8   9.929  -8.730   2.800
  201   2H5*  PDU   8          2H5*      PDU   8   8.967  -7.371   2.222
  202    H4*  PDU   8           H4*      PDU   8   8.046  -8.575   4.124
  203    H3*  PDU   8           H3*      PDU   8   8.322 -10.996   2.618
  204   2H2*  PDU   8          2H2*      PDU   8   6.286 -10.811   1.533
  205    H1*  PDU   8           H1*      PDU   8   5.159  -9.174   3.838
  206    H6   PDU   8           H6       PDU   8   5.679  -9.132   0.054
  207    H3   PDU   8           H3       PDU   8   1.303  -8.115   1.928
  208   1H5M  PDU   8          1H5M      PDU   8   5.474  -7.873  -4.616
  209   2H5M  PDU   8          2H5M      PDU   8   5.723  -9.610  -4.395
  210   3H5M  PDU   8          3H5M      PDU   8   4.146  -8.981  -5.026
  211   1H2*  PDU   8          1H2*      PDU   8   5.623 -11.372   3.116
  212   1H5*  PDU   9          1H5*      PDU   9   5.837 -12.447   7.298
  213   2H5*  PDU   9          2H5*      PDU   9   5.473 -11.020   6.330
  214    H4*  PDU   9           H4*      PDU   9   3.590 -11.962   7.515
  215    H3*  PDU   9           H3*      PDU   9   4.216 -14.512   6.393
  216   2H2*  PDU   9          2H2*      PDU   9   3.125 -14.115   4.396
  217    H1*  PDU   9           H1*      PDU   9   1.190 -12.204   5.815
  218    H6   PDU   9           H6       PDU   9   3.518 -12.419   2.807
  219    H3   PDU   9           H3       PDU   9  -1.117 -11.065   2.204
  220   1H5M  PDU   9          1H5M      PDU   9   5.899 -11.328  -1.151
  221   2H5M  PDU   9          2H5M      PDU   9   5.711 -13.078  -1.101
  222   3H5M  PDU   9          3H5M      PDU   9   4.854 -12.111  -2.367
  223   1H2*  PDU   9          1H2*      PDU   9   1.650 -14.545   5.347
  224   1H5*    C  10          1H5*        C  10  -0.111 -13.955   8.142
  225   2H5*    C  10          2H5*        C  10  -0.414 -15.342   9.194
  226    H4*    C  10           H4*        C  10  -2.490 -14.715   8.135
  227    H3*    C  10           H3*        C  10  -1.321 -17.329   7.632
  228    H1*    C  10           H1*        C  10  -3.560 -15.069   5.439
  229   1H4     C  10          1H4         C  10  -1.469 -13.821  -0.270
  230   2H4     C  10          2H4         C  10   0.247 -14.196   0.023
  231    H5     C  10           H5         C  10   0.834 -15.188   2.202
  232    H6     C  10           H6         C  10  -0.049 -15.715   4.434
  233    H3T    C  10           H3T        C  10  -3.156 -17.045   8.924
  234   2H2*    C  10          2H2*        C  10  -3.187 -17.411   5.552
  235   1H2*    C  10          1H2*        C  10  -1.416 -17.232   5.387
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -12.777 -11.244  -4.179
    2   2H5*    G   1          2H5*        G   1 -12.594  -9.606  -3.538
    3    H4*    G   1           H4*        G   1 -12.947 -11.332  -1.810
    4    H3*    G   1           H3*        G   1 -10.402  -9.750  -1.618
    5    H2*    G   1           H2*        G   1 -10.076 -10.868   0.506
    6   2HO*    G   1          2HO*        G   1 -12.408 -10.886   0.921
    7    H1*    G   1           H1*        G   1 -10.583 -13.319  -0.433
    8    H8     G   1           H8         G   1  -8.892 -11.746  -3.397
    9    H1     G   1           H1         G   1  -4.984 -13.232   1.521
   10   1H2     G   1          1H2         G   1  -6.343 -13.527   3.331
   11   2H2     G   1          2H2         G   1  -8.120 -13.337   3.160
   12    H5T    G   1           H5T        G   1 -10.489  -9.621  -4.048
   13   1H5*    A   2          1H5*        A   2 -12.164  -9.204   2.193
   14   2H5*    A   2          2H5*        A   2 -11.858  -7.527   2.653
   15    H4*    A   2           H4*        A   2 -11.029  -9.154   4.280
   16    H3*    A   2           H3*        A   2  -8.982  -7.350   3.047
   17    H2*    A   2           H2*        A   2  -7.418  -8.329   4.634
   18   2HO*    A   2          2HO*        A   2  -9.071  -8.458   6.289
   19    H1*    A   2           H1*        A   2  -8.125 -10.879   4.207
   20    H8     A   2           H8         A   2  -8.509  -9.174   0.850
   21   1H6     A   2          1H6         A   2  -2.352 -10.035   0.442
   22   2H6     A   2          2H6         A   2  -3.822  -9.629  -0.493
   23    H2     A   2           H2         A   2  -3.516 -10.937   4.509
   24   1H5*    A   3          1H5*        A   3  -8.500  -6.807   7.332
   25   2H5*    A   3          2H5*        A   3  -8.068  -5.103   7.535
   26    H4*    A   3           H4*        A   3  -6.397  -6.648   8.462
   27    H3*    A   3           H3*        A   3  -5.454  -4.874   6.230
   28    H2*    A   3           H2*        A   3  -3.243  -5.699   6.797
   29   2HO*    A   3          2HO*        A   3  -3.399  -5.796   9.005
   30    H1*    A   3           H1*        A   3  -3.974  -8.297   6.908
   31    H8     A   3           H8         A   3  -5.982  -6.583   4.152
   32   1H6     A   3          1H6         A   3  -0.759  -7.186   0.805
   33   2H6     A   3          2H6         A   3  -2.483  -6.719   0.756
   34    H2     A   3           H2         A   3   0.720  -8.305   4.901
   35   1H5*    G   4          1H5*        G   4  -2.987  -4.107   9.684
   36   2H5*    G   4          2H5*        G   4  -2.468  -2.417   9.622
   37    H4*    G   4           H4*        G   4  -0.599  -4.069   9.696
   38    H3*    G   4           H3*        G   4  -0.730  -2.197   7.355
   39    H2*    G   4           H2*        G   4   1.434  -3.087   6.752
   40   2HO*    G   4          2HO*        G   4   2.558  -3.447   8.521
   41    H1*    G   4           H1*        G   4   0.746  -5.681   7.124
   42    H8     G   4           H8         G   4  -2.270  -4.025   5.530
   43    H1     G   4           H1         G   4   2.766  -4.788   1.570
   44   1H2     G   4          1H2         G   4   4.576  -5.274   2.900
   45   2H2     G   4          2H2         G   4   4.324  -5.485   4.668
   46   1H5*    A   5          1H5*        A   5   3.159  -1.793   9.116
   47   2H5*    A   5          2H5*        A   5   3.592  -0.082   9.032
   48    H4*    A   5           H4*        A   5   5.272  -1.542   8.002
   49    H3*    A   5           H3*        A   5   3.941   0.476   6.220
   50    H2*    A   5           H2*        A   5   5.598  -0.184   4.559
   51   2HO*    A   5          2HO*        A   5   7.194  -0.484   6.284
   52    H1*    A   5           H1*        A   5   5.253  -2.814   4.860
   53    H8     A   5           H8         A   5   1.801  -1.323   5.400
   54   1H6     A   5          1H6         A   5   1.625  -1.158  -0.845
   55   2H6     A   5          2H6         A   5   0.659  -1.051   0.652
   56    H2     A   5           H2         A   5   5.725  -2.027   0.350
   57   1H5*    G   6          1H5*        G   6   8.071   1.231   5.780
   58   2H5*    G   6          2H5*        G   6   8.273   2.982   5.621
   59    H4*    G   6           H4*        G   6   9.170   1.686   3.731
   60    H3*    G   6           H3*        G   6   6.982   3.639   3.070
   61    H2*    G   6           H2*        G   6   7.599   3.175   0.758
   62   2HO*    G   6          2HO*        G   6   9.869   2.995   1.467
   63    H1*    G   6           H1*        G   6   7.726   0.482   1.091
   64    H8     G   6           H8         G   6   4.732   1.636   3.088
   65    H1     G   6           H1         G   6   3.938   1.642  -3.320
   66   1H2     G   6          1H2         G   6   6.048   1.423  -4.217
   67   2H2     G   6          2H2         G   6   7.447   1.215   3.103
   68   1H5*    A   7          1H5*        A   7  10.371   4.800   0.632
   69   2H5*    A   7          2H5*        A   7  10.356   6.568   0.580
   70    H4*    A   7           H4*        A   7  10.350   5.557  -1.635
   71    H3*    A   7           H3*        A   7   7.925   7.201  -0.967
   72    H2*    A   7           H2*        A   7   7.354   6.915  -3.319
   73   2HO*    A   7          2HO*        A   7   9.614   7.071  -3.916
   74    H1*    A   7           H1*        A   7   7.869   4.262  -3.398
   75    H8     A   7           H8         A   7   6.363   4.962   0.015
   76   1H6     A   7          1H6         A   7   0.933   4.783  -3.081
   77   2H6     A   7          2H6         A   7   1.692   4.665  -1.469
   78    H2     A   7           H2         A   7   4.122   4.920  -6.016
   79   1H5*    A   8          1H5*        A   8   9.572   8.902  -4.626
   80   2H5*    A   8          2H5*        A   8   9.332  10.648  -4.482
   81    H4*    A   8           H4*        A   8   8.357   9.720  -6.524
   82    H3*    A   8           H3*        A   8   6.396  10.946  -4.598
   83    H2*    A   8           H2*        A   8   4.793  10.679  -6.417
   84   2HO*    A   8          2HO*        A   8   6.423  11.199  -8.008
   85    H1*    A   8           H1*        A   8   5.511   8.133  -6.998
   86    H8     A   8           H8         A   8   5.746   8.536  -3.223
   87   1H6     A   8          1H6         A   8  -0.452   7.745  -3.379
   88   2H6     A   8          2H6         A   8   0.986   7.802  -2.326
   89    H2     A   8           H2         A   8   0.918   8.319  -7.470
   90   1H5*    G   9          1H5*        G   9   5.989  12.984  -8.472
   91   2H5*    G   9          2H5*        G   9   5.645  14.683  -8.115
   92    H4*    G   9           H4*        G   9   3.982  13.633  -9.604
   93    H3*    G   9           H3*        G   9   2.956  14.625  -6.946
   94    H2*    G   9           H2*        G   9   0.729  14.104  -7.863
   95   2HO*    G   9          2HO*        G   9   1.721  14.734 -10.041
   96    H1*    G   9           H1*        G   9   1.427  11.683  -8.804
   97    H8     G   9           H8         G   9   3.230  12.168  -5.463
   98    H1     G   9           H1         G   9  -3.054  10.797  -5.039
   99   1H2     G   9          1H2         G   9  -3.922  11.050  -7.153
  100   2H2     G   9          2H2         G   9  -2.800  11.416  -8.510
  101   1H5*    C  10          1H5*        C  10   0.380  16.336  -9.855
  102   2H5*    C  10          2H5*        C  10   0.078  18.027  -9.420
  103    H4*    C  10           H4*        C  10  -2.028  16.808  -9.659
  104    H3*    C  10           H3*        C  10  -1.341  17.653  -6.840
  105    H2*    C  10           H2*        C  10  -3.515  16.891  -6.193
  106   2HO*    C  10          2HO*        C  10  -4.220  17.652  -8.472
  107    H1*    C  10           H1*        C  10  -3.409  14.573  -7.661
  108   1H4     C  10          1H4         C  10  -2.002  13.454  -1.759
  109   2H4     C  10          2H4         C  10  -0.242  13.519  -2.036
  110    H5     C  10           H5         C  10   0.588  14.544  -4.087
  111    H6     C  10           H6         C  10  -0.065  15.159  -6.343
  112    H3T    C  10           H3T        C  10  -2.309  19.431  -7.425
  113   1H5*    G   1          1H5*        G   1 -12.494  11.158   2.251
  114   2H5*    G   1          2H5*        G   1 -12.820   9.516   1.679
  115    H4*    G   1           H4*        G   1 -12.304  11.024  -0.053
  116    H3*    G   1           H3*        G   1 -10.610   8.654   0.229
  117    H1*    G   1           H1*        G   1 -10.004  12.142  -1.517
  118    H8     G   1           H8         G   1  -8.006  10.812   1.325
  119    H1     G   1           H1         G   1  -4.709  13.704  -3.359
  120   1H2     G   1          1H2         G   1  -6.160  13.773  -5.108
  121   2H2     G   1          2H2         G   1  -7.857  13.238  -4.913
  122    H5T    G   1           H5T        G   1 -11.003   8.811   2.640
  123   2H2*    G   1          2H2*        G   1  -9.820  10.010  -2.249
  124   1H2*    G   1          1H2*        G   1  -8.870   9.470  -0.853
  125   1H5*  5PC   2          1H5*      5PC   2 -12.024   8.349  -4.898
  126   2H5*  5PC   2          2H5*      5PC   2 -11.651   9.766  -3.907
  127    H4*  5PC   2           H4*      5PC   2 -10.520   9.734  -5.991
  128    H3*  5PC   2           H3*      5PC   2  -9.522   7.086  -5.245
  129   1H2*  5PC   2          1H2*      5PC   2  -7.574   8.375  -6.986
  130   2H2*  5PC   2          2H2*      5PC   2  -7.363   7.597  -5.387
  131    H1*  5PC   2           H1*      5PC   2  -7.669  10.465  -6.118
  132    H41  5PC   2           1H4      5PC   2  -2.964  10.076  -2.220
  133    H42  5PC   2           2H4      5PC   2  -4.115   9.382  -0.981
  134    H6   5PC   2           H6       5PC   2  -7.821   8.732  -2.965
  135    H91  5PC   2           1H9      5PC   2  -5.709   7.733   2.082
  136    H92  5PC   2           2H9      5PC   2  -7.347   8.450   2.001
  137    H93  5PC   2           3H9      5PC   2  -7.102   6.800   1.424
  138   1H5*  PDU   3          1H5*      PDU   3  -8.381   6.429 -10.438
  139   2H5*  PDU   3          2H5*      PDU   3  -8.337   7.983  -9.583
  140    H4*  PDU   3           H4*      PDU   3  -6.313   7.539 -10.755
  141    H3*  PDU   3           H3*      PDU   3  -6.186   4.958  -9.334
  142   2H2*  PDU   3          2H2*      PDU   3  -4.152   5.298  -8.523
  143    H1*  PDU   3           H1*      PDU   3  -3.746   8.104  -9.378
  144    H6   PDU   3           H6       PDU   3  -5.723   6.568  -6.714
  145    H3   PDU   3           H3       PDU   3  -1.186   7.931  -5.684
  146   1H5M  PDU   3          1H5M      PDU   3  -8.142   6.398  -2.517
  147   2H5M  PDU   3          2H5M      PDU   3  -7.821   4.722  -2.938
  148   3H5M  PDU   3          3H5M      PDU   3  -7.017   5.453  -1.498
  149   1H2*  PDU   3          1H2*      PDU   3  -3.504   5.936 -10.055
  150   1H5*  PDU   4          1H5*      PDU   4  -2.663   3.697 -13.169
  151   2H5*  PDU   4          2H5*      PDU   4  -2.926   5.272 -12.400
  152    H4*  PDU   4           H4*      PDU   4  -0.668   4.653 -12.375
  153    H3*  PDU   4           H3*      PDU   4  -1.412   2.078 -11.198
  154   2H2*  PDU   4          2H2*      PDU   4  -0.208   2.325  -9.365
  155    H1*  PDU   4           H1*      PDU   4   0.940   5.021  -9.922
  156    H6   PDU   4           H6       PDU   4  -2.229   3.908  -8.505
  157    H3   PDU   4           H3       PDU   4   1.410   4.950  -5.465
  158   1H5M  PDU   4          1H5M      PDU   4  -6.368   4.175  -5.971
  159   2H5M  PDU   4          2H5M      PDU   4  -5.985   2.493  -6.314
  160   3H5M  PDU   4          3H5M      PDU   4  -5.932   3.099  -4.612
  161   1H2*  PDU   4          1H2*      PDU   4   1.269   2.786 -10.261
  162   1H5*  5PC   5          1H5*      5PC   5   3.588   0.789 -12.561
  163   2H5*  5PC   5          2H5*      5PC   5   2.960   2.318 -11.916
  164    H4*  5PC   5           H4*      5PC   5   4.849   1.495 -10.621
  165    H3*  5PC   5           H3*      5PC   5   3.261  -0.994 -10.317
  166   1H2*  5PC   5          1H2*      5PC   5   5.154  -0.591  -8.097
  167   2H2*  5PC   5          2H2*      5PC   5   3.399  -0.929  -8.070
  168    H1*  5PC   5           H1*      5PC   5   4.922   1.668  -8.033
  169    H41  5PC   5           1H4      5PC   5   1.034   1.695  -3.231
  170    H42  5PC   5           2H4      5PC   5  -0.357   1.551  -4.403
  171    H6   5PC   5           H6       5PC   5   1.422   0.922  -8.257
  172    H91  5PC   5           1H9      5PC   5  -3.534   1.398  -7.692
  173    H92  5PC   5           2H9      5PC   5  -3.135  -0.314  -7.638
  174    H93  5PC   5           3H9      5PC   5  -3.674   0.521  -6.136
  175   1H5*  PDU   6          1H5*      PDU   6   8.135  -3.030  -9.201
  176   2H5*  PDU   6          2H5*      PDU   6   7.557  -1.375  -8.935
  177    H4*  PDU   6           H4*      PDU   6   8.586  -2.262  -7.033
  178    H3*  PDU   6           H3*      PDU   6   6.861  -4.615  -7.222
  179   2H2*  PDU   6          2H2*      PDU   6   5.899  -4.347  -5.251
  180    H1*  PDU   6           H1*      PDU   6   7.352  -1.891  -4.376
  181    H6   PDU   6           H6       PDU   6   4.372  -2.415  -6.416
  182    H3   PDU   6           H3       PDU   6   3.823  -1.547  -1.670
  183   1H5M  PDU   6          1H5M      PDU   6   0.182  -1.430  -8.628
  184   2H5M  PDU   6          2H5M      PDU   6   0.126  -3.161  -8.310
  185   3H5M  PDU   6          3H5M      PDU   6  -1.011  -2.060  -7.449
  186   1H2*  PDU   6          1H2*      PDU   6   7.450  -4.165  -4.391
  187   1H5*  5PC   7          1H5*      5PC   7  10.373  -6.406  -3.636
  188   2H5*  5PC   7          2H5*      5PC   7   9.638  -4.807  -3.841
  189    H4*  5PC   7           H4*      5PC   7   9.403  -5.616  -1.566
  190    H3*  5PC   7           H3*      5PC   7   8.154  -8.012  -2.783
  191   1H2*  5PC   7          1H2*      5PC   7   7.188  -7.590  -0.046
  192   2H2*  5PC   7          2H2*      5PC   7   6.275  -7.766  -1.576
  193    H1*  5PC   7           H1*      5PC   7   7.305  -5.304  -0.158
  194    H41  5PC   7           1H4      5PC   7   1.249  -4.321  -0.839
  195    H42  5PC   7           2H4      5PC   7   1.493  -4.420  -2.646
  196    H6   5PC   7           H6       5PC   7   5.514  -5.776  -3.232
  197    H91  5PC   7           1H9      5PC   7   2.270  -4.753  -7.038
  198    H92  5PC   7           2H9      5PC   7   2.267  -6.479  -6.684
  199    H93  5PC   7           3H9      5PC   7   0.844  -5.467  -6.231
  200   1H5*  PDU   8          1H5*      PDU   8   9.571 -10.283   1.906
  201   2H5*  PDU   8          2H5*      PDU   8   9.188  -8.568   1.660
  202    H4*  PDU   8           H4*      PDU   8   8.038  -9.548   3.498
  203    H3*  PDU   8           H3*      PDU   8   7.010 -11.564   1.625
  204   2H2*  PDU   8          2H2*      PDU   8   4.893 -11.079   1.942
  205    H1*  PDU   8           H1*      PDU   8   5.197  -8.849   3.897
  206    H6   PDU   8           H6       PDU   8   5.291  -9.131   0.232
  207    H3   PDU   8           H3       PDU   8   1.101  -7.877   2.336
  208   1H5M  PDU   8          1H5M      PDU   8   4.057  -7.746  -4.742
  209   2H5M  PDU   8          2H5M      PDU   8   4.383  -9.482  -4.564
  210   3H5M  PDU   8          3H5M      PDU   8   2.684  -8.859  -4.622
  211   1H2*  PDU   8          1H2*      PDU   8   5.026 -11.151   3.725
  212   1H5*  PDU   9          1H5*      PDU   9   5.847 -14.255   6.150
  213   2H5*  PDU   9          2H5*      PDU   9   5.781 -12.497   5.926
  214    H4*  PDU   9           H4*      PDU   9   3.798 -13.408   6.925
  215    H3*  PDU   9           H3*      PDU   9   3.580 -15.142   4.549
  216   2H2*  PDU   9          2H2*      PDU   9   1.586 -14.440   3.978
  217    H1*  PDU   9           H1*      PDU   9   1.220 -12.288   6.000
  218    H6   PDU   9           H6       PDU   9   3.010 -12.577   2.799
  219    H3   PDU   9           H3       PDU   9  -1.500 -10.788   2.736
  220   1H5M  PDU   9          1H5M      PDU   9   4.860 -11.218  -1.720
  221   2H5M  PDU   9          2H5M      PDU   9   4.355 -12.891  -1.918
  222   3H5M  PDU   9          3H5M      PDU   9   3.373 -11.569  -2.657
  223   1H2*  PDU   9          1H2*      PDU   9   0.920 -14.543   5.646
  224   1H5*    C  10          1H5*        C  10   0.452 -16.061   7.737
  225   2H5*    C  10          2H5*        C  10   0.202 -17.813   7.767
  226    H4*    C  10           H4*        C  10  -1.969 -16.786   7.642
  227    H3*    C  10           H3*        C  10  -1.069 -17.942   5.005
  228    H1*    C  10           H1*        C  10  -3.545 -15.007   5.714
  229   1H4     C  10          1H4         C  10  -2.480 -13.082  -0.112
  230   2H4     C  10          2H4         C  10  -0.767 -13.575  -0.194
  231    H5     C  10           H5         C  10   0.092 -14.974   1.676
  232    H6     C  10           H6         C  10  -0.497 -15.828   3.955
  233    H3T    C  10           H3T        C  10  -1.544 -19.454   6.546
  234   2H2*    C  10          2H2*        C  10  -3.942 -17.247   5.497
  235   1H2*    C  10          1H2*        C  10  -2.957 -17.236   3.988
  Start of MODEL    3
    1   1H5*    G   1          2H5*        G   1 -11.369 -11.543  -5.670
    2   2H5*    G   1          1H5*        G   1 -11.139  -9.841  -5.242
    3    H4*    G   1           H4*        G   1 -11.959 -11.255  -3.386
    4    H3*    G   1           H3*        G   1  -9.380  -9.782  -2.971
    5    H2*    G   1          1H2*        G   1  -9.419 -10.624  -0.706
    6   2HO*    G   1          2HO*        G   1 -11.764 -10.429  -0.596
    7    H1*    G   1           H1*        G   1 -10.044 -13.150  -1.339
    8    H8     G   1           H8         G   1  -7.758 -12.268  -4.170
    9    H1     G   1           H1         G   1  -4.828 -13.316   1.487
   10   1H2     G   1          1H2         G   1  -6.448 -13.118   3.077
   11   2H2     G   1          2H2         G   1  -8.143 -12.777   2.598
   12    H5T    G   1           H5T        G   1  -9.038 -10.030  -5.489
   13   1H5*    A   2          2H5*        A   2 -11.779  -8.511   0.328
   14   2H5*    A   2          1H5*        A   2 -11.369  -6.829   0.664
   15    H4*    A   2           H4*        A   2 -10.969  -8.375   2.544
   16    H3*    A   2           H3*        A   2  -8.637  -6.785   1.554
   17    H2*    A   2          1H2*        A   2  -7.349  -7.796   3.355
   18   2HO*    A   2          2HO*        A   2  -9.241  -7.737   4.770
   19    H1*    A   2           H1*        A   2  -8.172 -10.310   2.972
   20    H8     A   2           H8         A   2  -8.050  -8.853  -0.518
   21   1H6     A   2          1H6         A   2  -2.007 -10.293  -0.178
   22   2H6     A   2          2H6         A   2  -3.321  -9.811  -1.292
   23    H2     A   2           H2         A   2  -3.634 -10.636   3.814
   24   1H5*    A   3          2H5*        A   3  -8.665  -6.000   5.858
   25   2H5*    A   3          1H5*        A   3  -8.158  -4.313   6.021
   26    H4*    A   3           H4*        A   3  -6.697  -5.930   7.197
   27    H3*    A   3           H3*        A   3  -5.425  -4.228   5.082
   28    H2*    A   3          1H2*        A   3  -3.331  -5.199   5.814
   29   2HO*    A   3          2HO*        A   3  -3.281  -5.548   7.881
   30    H1*    A   3           H1*        A   3  -4.218  -7.745   5.900
   31    H8     A   3           H8         A   3  -5.897  -6.081   2.930
   32   1H6     A   3          1H6         A   3  -0.517  -7.306   0.025
   33   2H6     A   3          2H6         A   3  -2.196  -6.737  -0.193
   34    H2     A   3           H2         A   3   0.078  -8.070   4.258
   35   1H5*    G   4          2H5*        G   4  -3.208  -3.735   8.746
   36   2H5*    G   4          1H5*        G   4  -2.551  -2.096   8.809
   37    H4*    G   4           H4*        G   4  -0.836  -3.897   8.968
   38    H3*    G   4           H3*        G   4  -0.591  -1.927   6.722
   39    H2*    G   4          1H2*        G   4   1.504  -3.016   6.204
   40   2HO*    G   4          2HO*        G   4   2.511  -3.559   7.984
   41    H1*    G   4           H1*        G   4   0.583  -5.554   6.480
   42    H8     G   4           H8         G   4  -2.150  -3.644   4.702
   43    H1     G   4           H1         G   4   2.926  -5.107   0.994
   44   1H2     G   4          1H2         G   4   4.645  -5.651   2.401
   45   2H2     G   4          2H2         G   4   4.319  -5.781   4.160
   46   1H5*    A   5          2H5*        A   5   3.232  -1.944   8.783
   47   2H5*    A   5          1H5*        A   5   3.812  -0.275   8.775
   48    H4*    A   5           H4*        A   5   5.413  -1.841   7.778
   49    H3*    A   5           H3*        A   5   4.343   0.334   6.006
   50    H2*    A   5          1H2*        A   5   5.912  -0.457   4.335
   51   2HO*    A   5          2HO*        A   5   7.422  -0.928   6.171
   52    H1*    A   5           H1*        A   5   5.411  -3.080   4.632
   53    H8     A   5           H8         A   5   2.091  -1.274   5.075
   54   1H6     A   5          1H6         A   5   1.874  -1.502  -1.144
   55   2H6     A   5          2H6         A   5   0.965  -1.217   0.359
   56    H2     A   5           H2         A   5   5.950  -2.542   0.080
   57   1H5*    G   6          2H5*        G   6   8.436   0.889   5.469
   58   2H5*    G   6          1H5*        G   6   8.714   2.633   5.373
   59    H4*    G   6           H4*        G   6   9.394   1.413   3.364
   60    H3*    G   6           H3*        G   6   7.188   3.409   2.914
   61    H2*    G   6          1H2*        G   6   7.621   2.971   0.553
   62   2HO*    G   6          2HO*        G   6   9.938   2.799   1.060
   63    H1*    G   6           H1*        G   6   7.802   0.266   0.846
   64    H8     G   6           H8         G   6   4.922   1.424   3.003
   65    H1     G   6           H1         G   6   3.736   1.309  -3.344
   66   1H2     G   6          1H2         G   6   5.778   1.047  -4.367
   67   2H2     G   6          2H2         G   6   7.237   0.811  -3.347
   68   1H5*    A   7          2H5*        A   7  10.467   4.566   0.248
   69   2H5*    A   7          1H5*        A   7  10.423   6.329   0.124
   70    H4*    A   7           H4*        A   7  10.257   5.152  -2.043
   71    H3*    A   7           H3*        A   7   7.976   6.955  -1.297
   72    H2*    A   7          1H2*        A   7   7.139   6.518  -3.532
   73   2HO*    A   7          2HO*        A   7   9.219   6.583  -4.497
   74    H1*    A   7           H1*        A   7   7.590   3.841  -3.497
   75    H8     A   7           H8         A   7   6.403   4.779  -0.028
   76   1H6     A   7          1H6         A   7   0.726   4.640  -2.604
   77   2H6     A   7          2H6         A   7   1.636   4.615  -1.062
   78    H2     A   7           H2         A   7   3.622   4.473  -5.824
   79   1H5*    A   8          2H5*        A   8   9.347   8.298  -5.257
   80   2H5*    A   8          1H5*        A   8   9.149  10.055  -5.251
   81    H4*    A   8           H4*        A   8   7.939   8.930  -7.089
   82    H3*    A   8           H3*        A   8   6.245  10.441  -5.118
   83    H2*    A   8          1H2*        A   8   4.439  10.047  -6.685
   84   2HO*    A   8          2HO*        A   8   5.257  10.228  -8.660
   85    H1*    A   8           H1*        A   8   5.030   7.422  -7.068
   86    H8     A   8           H8         A   8   5.650   8.224  -3.413
   87   1H6     A   8          1H6         A   8  -0.539   7.679  -2.854
   88   2H6     A   8          2H6         A   8   1.010   7.794  -1.967
   89    H2     A   8           H2         A   8   0.392   7.756  -7.100
   90   1H5*    G   9          2H5*        G   9   5.504  12.028  -9.098
   91   2H5*    G   9          1H5*        G   9   5.204  13.765  -8.958
   92    H4*    G   9           H4*        G   9   3.393  12.514 -10.111
   93    H3*    G   9           H3*        G   9   2.655  13.982  -7.583
   94    H2*    G   9          1H2*        G   9   0.337  13.339  -8.132
   95   2HO*    G   9          2HO*        G   9   1.093  13.566 -10.487
   96    H1*    G   9           H1*        G   9   0.910  10.788  -8.720
   97    H8     G   9           H8         G   9   3.088  11.750  -5.724
   98    H1     G   9           H1         G   9  -3.103  10.529  -4.389
   99   1H2     G   9          1H2         G   9  -4.201  10.430  -6.393
  100   2H2     G   9          2H2         G   9  -3.250  10.538  -7.905
  101   1H5*    C  10          2H5*        C  10  -0.237  15.199 -10.459
  102   2H5*    C  10          1H5*        C  10  -0.483  16.947 -10.316
  103    H4*    C  10           H4*        C  10  -2.605  15.770 -10.051
  104    H3*    C  10           H3*        C  10  -1.562  17.039  -7.507
  105    H2*    C  10          1H2*        C  10  -3.636  16.439  -6.488
  106   2HO*    C  10          2HO*        C  10  -4.632  16.858  -8.726
  107    H1*    C  10           H1*        C  10  -3.712  13.915  -7.559
  108   1H4     C  10          1H4         C  10  -1.511  13.649  -1.819
  109   2H4     C  10          2H4         C  10   0.199  13.663  -2.327
  110    H5     C  10           H5         C  10   0.734  14.438  -4.591
  111    H6     C  10           H6         C  10  -0.228  14.719  -6.802
  112    H3T    C  10           H3T        C  10  -2.268  18.693  -8.603
  113   1H5*    G   1          2H5*        G   1 -10.081  12.396   4.144
  114   2H5*    G   1          1H5*        G   1 -10.727  10.758   4.336
  115    H4*    G   1           H4*        G   1 -11.379  11.630   2.203
  116    H3*    G   1           H3*        G   1 -10.171   9.158   2.418
  117    H1*    G   1           H1*        G   1  -9.259  11.688  -0.358
  118    H8     G   1           H8         G   1  -6.804  11.697   2.603
  119    H1     G   1           H1         G   1  -4.425  13.617  -3.059
  120   1H2     G   1          1H2         G   1  -6.052  13.237  -4.579
  121   2H2     G   1          2H2         G   1  -7.636  12.585  -4.069
  122   2H2*    G   1          1H2*        G   1  -8.812   9.418   0.076
  123   1H2*    G   1          2H2*        G   1  -8.077   9.769   1.669
  124    H5T    G   1           H5T        G   1  -8.482  11.053   5.035
  125   1H5*  5PC   2          1H5*      5PC   2 -12.011   9.345  -2.655
  126   2H5*  5PC   2          2H5*      5PC   2 -10.962  10.520  -1.863
  127    H4*  5PC   2           H4*      5PC   2 -10.582  10.208  -4.263
  128    H3*  5PC   2           H3*      5PC   2 -10.447   7.410  -3.725
  129   1H2*  5PC   2          1H2*      5PC   2  -7.984   7.532  -5.028
  130   2H2*  5PC   2          2H2*      5PC   2  -8.174   7.351  -3.235
  131    H1*  5PC   2           H1*      5PC   2  -7.723   9.812  -4.959
  132    H41  5PC   2           1H4      5PC   2  -2.664  10.223  -1.520
  133    H42  5PC   2           2H4      5PC   2  -3.638   9.701  -0.060
  134    H6   5PC   2           H6       5PC   2  -7.560   8.830  -1.448
  135    H91  5PC   2           1H9      5PC   2  -6.128   9.016   3.493
  136    H92  5PC   2           2H9      5PC   2  -5.762   7.350   3.042
  137    H93  5PC   2           3H9      5PC   2  -4.421   8.534   3.232
  138   1H5*  PDU   3          1H5*      PDU   3  -9.326   7.118  -9.070
  139   2H5*  PDU   3          2H5*      PDU   3  -8.658   8.357  -8.005
  140    H4*  PDU   3           H4*      PDU   3  -7.107   7.444  -9.632
  141    H3*  PDU   3           H3*      PDU   3  -7.832   4.820  -8.756
  142   2H2*  PDU   3          2H2*      PDU   3  -6.290   4.722  -7.023
  143    H1*  PDU   3           H1*      PDU   3  -4.480   6.683  -8.486
  144    H6   PDU   3           H6       PDU   3  -6.216   5.968  -5.157
  145    H3   PDU   3           H3       PDU   3  -1.624   7.595  -5.194
  146   1H5M  PDU   3          1H5M      PDU   3  -7.446   6.431  -0.292
  147   2H5M  PDU   3          2H5M      PDU   3  -7.257   4.702  -0.616
  148   3H5M  PDU   3          3H5M      PDU   3  -5.975   5.612   0.283
  149   1H2*  PDU   3          1H2*      PDU   3  -5.124   4.432  -8.368
  150   1H5*  PDU   4          1H5*      PDU   4  -3.848   4.024 -12.441
  151   2H5*  PDU   4          2H5*      PDU   4  -3.869   5.267 -11.192
  152    H4*  PDU   4           H4*      PDU   4  -1.694   4.382 -11.781
  153    H3*  PDU   4           H3*      PDU   4  -2.679   1.744 -11.325
  154   2H2*  PDU   4          2H2*      PDU   4  -2.322   1.812  -9.019
  155    H1*  PDU   4           H1*      PDU   4   0.012   3.723  -9.455
  156    H6   PDU   4           H6       PDU   4  -3.178   3.245  -7.430
  157    H3   PDU   4           H3       PDU   4   0.944   4.563  -5.182
  158   1H5M  PDU   4          1H5M      PDU   4  -6.749   3.773  -4.293
  159   2H5M  PDU   4          2H5M      PDU   4  -6.459   2.066  -4.640
  160   3H5M  PDU   4          3H5M      PDU   4  -6.074   2.742  -3.005
  161   1H2*  PDU   4          1H2*      PDU   4  -0.633   1.423  -9.506
  162   1H5*  5PC   5          1H5*      5PC   5   2.690   1.316 -12.481
  163   2H5*  5PC   5          2H5*      5PC   5   1.915   2.496 -11.421
  164    H4*  5PC   5           H4*      5PC   5   4.175   1.862 -10.662
  165    H3*  5PC   5           H3*      5PC   5   3.210  -0.898 -10.865
  166   1H2*  5PC   5          1H2*      5PC   5   4.498  -0.902  -8.322
  167   2H2*  5PC   5          2H2*      5PC   5   2.716  -1.060  -8.612
  168    H1*  5PC   5           H1*      5PC   5   4.425   1.396  -8.034
  169    H41  5PC   5           1H4      5PC   5   0.826   1.258  -3.045
  170    H42  5PC   5           2H4      5PC   5  -0.632   0.996  -4.110
  171    H6   5PC   5           H6       5PC   5   0.864   0.676  -8.111
  172    H91  5PC   5           1H9      5PC   5  -4.095   0.976  -6.813
  173    H92  5PC   5           2H9      5PC   5  -3.651  -0.669  -7.284
  174    H93  5PC   5           3H9      5PC   5  -3.947  -0.261  -5.548
  175   1H5*  PDU   6          1H5*      PDU   6   8.384  -2.089  -9.545
  176   2H5*  PDU   6          2H5*      PDU   6   7.468  -0.768  -8.825
  177    H4*  PDU   6           H4*      PDU   6   8.840  -2.000  -7.272
  178    H3*  PDU   6           H3*      PDU   6   7.745  -4.446  -8.232
  179   2H2*  PDU   6          2H2*      PDU   6   5.816  -4.333  -6.906
  180    H1*  PDU   6           H1*      PDU   6   7.404  -2.804  -4.802
  181    H6   PDU   6           H6       PDU   6   4.167  -2.730  -6.845
  182    H3   PDU   6           H3       PDU   6   4.057  -1.906  -2.042
  183   1H5M  PDU   6          1H5M      PDU   6  -0.612  -1.831  -8.253
  184   2H5M  PDU   6          2H5M      PDU   6  -0.369  -3.579  -8.144
  185   3H5M  PDU   6          3H5M      PDU   6  -1.276  -2.700  -6.846
  186   1H2*  PDU   6          1H2*      PDU   6   6.934  -4.978  -5.651
  187   1H5*  5PC   7          1H5*      5PC   7  10.717  -5.773  -3.804
  188   2H5*  5PC   7          2H5*      5PC   7   9.572  -4.447  -3.979
  189    H4*  5PC   7           H4*      5PC   7   9.618  -5.402  -1.712
  190    H3*  5PC   7           H3*      5PC   7   9.138  -7.996  -2.995
  191   1H2*  5PC   7          1H2*      5PC   7   7.253  -8.061  -0.882
  192   2H2*  5PC   7          2H2*      5PC   7   6.841  -7.871  -2.636
  193    H1*  5PC   7           H1*      5PC   7   7.352  -5.744  -0.494
  194    H41  5PC   7           1H4      5PC   7   1.392  -4.704  -1.548
  195    H42  5PC   7           2H4      5PC   7   1.705  -4.771  -3.345
  196    H6   5PC   7           H6       5PC   7   5.800  -5.907  -3.773
  197    H91  5PC   7           1H9      5PC   7   2.716  -5.064  -7.702
  198    H92  5PC   7           2H9      5PC   7   2.835  -6.800  -7.409
  199    H93  5PC   7           3H9      5PC   7   1.312  -5.920  -7.007
  200   1H5*  PDU   8          1H5*      PDU   8   9.820  -9.214   2.313
  201   2H5*  PDU   8          2H5*      PDU   8   8.936  -7.815   1.701
  202    H4*  PDU   8           H4*      PDU   8   8.038  -8.746   3.753
  203    H3*  PDU   8           H3*      PDU   8   8.099 -11.327   2.540
  204   2H2*  PDU   8          2H2*      PDU   8   6.054 -11.087   1.456
  205    H1*  PDU   8           H1*      PDU   8   5.101  -9.206   3.657
  206    H6   PDU   8           H6       PDU   8   5.504  -9.457  -0.125
  207    H3   PDU   8           H3       PDU   8   1.255  -7.995   1.752
  208   1H5M  PDU   8          1H5M      PDU   8   4.860  -8.150  -5.001
  209   2H5M  PDU   8          2H5M      PDU   8   4.998  -9.911  -4.892
  210   3H5M  PDU   8          3H5M      PDU   8   3.384  -9.130  -5.144
  211   1H2*  PDU   8          1H2*      PDU   8   5.410 -11.496   3.094
  212   1H5*  PDU   9          1H5*      PDU   9   5.631 -11.974   7.414
  213   2H5*  PDU   9          2H5*      PDU   9   5.391 -10.664   6.264
  214    H4*  PDU   9           H4*      PDU   9   3.464 -11.203   7.575
  215    H3*  PDU   9           H3*      PDU   9   3.761 -13.952   6.901
  216   2H2*  PDU   9          2H2*      PDU   9   2.694 -13.742   4.843
  217    H1*  PDU   9           H1*      PDU   9   0.995 -11.456   5.989
  218    H6   PDU   9           H6       PDU   9   3.179 -12.283   2.991
  219    H3   PDU   9           H3       PDU   9  -1.379 -10.711   2.320
  220   1H5M  PDU   9          1H5M      PDU   9   5.438 -11.584  -1.187
  221   2H5M  PDU   9          2H5M      PDU   9   5.377 -13.308  -0.818
  222   3H5M  PDU   9          3H5M      PDU   9   4.422 -12.630  -2.202
  223   1H2*  PDU   9          1H2*      PDU   9   1.203 -13.885   5.854
  224   1H5*    C  10          2H5*        C  10  -0.530 -12.653   8.431
  225   2H5*    C  10          1H5*        C  10  -0.904 -13.796   9.723
  226    H4*    C  10           H4*        C  10  -2.940 -13.238   8.668
  227    H3*    C  10           H3*        C  10  -2.035 -15.953   8.627
  228    H1*    C  10           H1*        C  10  -4.129 -14.068   6.003
  229   1H4     C  10          1H4         C  10  -2.093 -13.681   0.195
  230   2H4     C  10          2H4         C  10  -0.378 -14.037   0.505
  231    H5     C  10           H5         C  10   0.218 -14.781   2.798
  232    H6     C  10           H6         C  10  -0.655 -14.955   5.102
  233    H3T    C  10           H3T        C  10  -4.630 -14.774   8.359
  234   2H2*    C  10          1H2*        C  10  -3.723 -16.383   6.487
  235   1H2*    C  10          2H2*        C  10  -1.952 -16.185   6.379
  Start of MODEL    4
    1   1H5*    G   1          2H5*        G   1 -11.872 -13.043  -4.418
    2   2H5*    G   1          1H5*        G   1 -11.873 -11.347  -3.893
    3    H4*    G   1           H4*        G   1 -12.259 -12.956  -2.057
    4    H3*    G   1           H3*        G   1  -9.876 -11.156  -1.861
    5    H2*    G   1          1H2*        G   1  -9.477 -12.108   0.316
    6   2HO*    G   1          2HO*        G   1 -11.671 -12.301   0.928
    7    H1*    G   1           H1*        G   1  -9.782 -14.660  -0.422
    8    H8     G   1           H8         G   1  -8.131 -13.195  -3.468
    9    H1     G   1           H1         G   1  -4.270 -13.914   1.654
   10   1H2     G   1          1H2         G   1  -5.658 -14.185   3.449
   11   2H2     G   1          2H2         G   1  -7.436 -14.208   3.211
   12    H5T    G   1           H5T        G   1 -10.147 -11.847  -5.373
   13   1H5*    A   2          2H5*        A   2 -11.872 -10.599   1.863
   14   2H5*    A   2          1H5*        A   2 -11.741  -8.883   2.256
   15    H4*    A   2           H4*        A   2 -10.813 -10.358   3.985
   16    H3*    A   2           H3*        A   2  -8.923  -8.408   2.718
   17    H2*    A   2          1H2*        A   2  -7.305  -9.164   4.376
   18   2HO*    A   2          2HO*        A   2  -9.003  -9.403   5.985
   19    H1*    A   2           H1*        A   2  -7.735 -11.782   4.027
   20    H8     A   2           H8         A   2  -8.206 -10.234   0.590
   21   1H6     A   2          1H6         A   2  -1.996 -10.496   0.363
   22   2H6     A   2          2H6         A   2  -3.473 -10.250  -0.616
   23    H2     A   2           H2         A   2  -3.168 -11.330   4.444
   24   1H5*    A   3          2H5*        A   3  -8.623  -7.694   7.015
   25   2H5*    A   3          1H5*        A   3  -8.372  -5.951   7.187
   26    H4*    A   3           H4*        A   3  -6.605  -7.298   8.224
   27    H3*    A   3           H3*        A   3  -5.727  -5.477   6.000
   28    H2*    A   3          1H2*        A   3  -3.468  -6.113   6.665
   29   2HO*    A   3          2HO*        A   3  -4.150  -6.193   8.928
   30    H1*    A   3           H1*        A   3  -3.954  -8.750   6.752
   31    H8     A   3           H8         A   3  -6.105  -7.266   3.963
   32   1H6     A   3          1H6         A   3  -0.845  -7.467   0.646
   33   2H6     A   3          2H6         A   3  -2.601  -7.137   0.592
   34    H2     A   3           H2         A   3   0.176  -8.414   4.767
   35   1H5*    G   4          2H5*        G   4  -3.305  -4.548   9.376
   36   2H5*    G   4          1H5*        G   4  -2.928  -2.822   9.344
   37    H4*    G   4           H4*        G   4  -0.954  -4.314   9.367
   38    H3*    G   4           H3*        G   4  -1.195  -2.435   7.030
   39    H2*    G   4          1H2*        G   4   1.063  -3.195   6.485
   40   2HO*    G   4          2HO*        G   4   1.605  -3.326   8.765
   41    H1*    G   4           H1*        G   4   0.520  -5.818   6.798
   42    H8     G   4           H8         G   4  -2.627  -4.381   5.259
   43    H1     G   4           H1         G   4   2.388  -4.847   1.223
   44   1H2     G   4          1H2         G   4   4.248  -5.218   2.540
   45   2H2     G   4          2H2         G   4   4.010  -5.436   4.310
   46   1H5*    A   5          2H5*        A   5   2.671  -1.796   8.976
   47   2H5*    A   5          1H5*        A   5   3.020  -0.064   8.881
   48    H4*    A   5           H4*        A   5   4.810  -1.494   7.948
   49    H3*    A   5           H3*        A   5   3.507   0.472   6.101
   50    H2*    A   5          1H2*        A   5   5.236  -0.151   4.503
   51   2HO*    A   5          2HO*        A   5   7.011  -1.093   5.036
   52    H1*    A   5           H1*        A   5   4.869  -2.776   4.774
   53    H8     A   5           H8         A   5   1.400  -1.339   5.298
   54   1H6     A   5          1H6         A   5   1.179  -1.383  -0.933
   55   2H6     A   5          2H6         A   5   0.248  -1.240   0.577
   56    H2     A   5           H2         A   5   5.335  -2.088   0.258
   57   1H5*    G   6          2H5*        G   6   7.567   1.200   5.789
   58   2H5*    G   6          1H5*        G   6   7.859   2.940   5.634
   59    H4*    G   6           H4*        G   6   8.795   1.648   3.784
   60    H3*    G   6           H3*        G   6   6.643   3.603   3.017
   61    H2*    G   6          1H2*        G   6   7.265   3.043   0.722
   62   2HO*    G   6          2HO*        G   6   9.528   2.833   1.458
   63    H1*    G   6           H1*        G   6   7.285   0.377   1.112
   64    H8     G   6           H8         G   6   4.368   1.748   3.185
   65    H1     G   6           H1         G   6   3.382   1.564  -3.182
   66   1H2     G   6          1H2         G   6   5.451   1.309  -4.153
   67   2H2     G   6          2H2         G   6   6.882   1.045  -3.097
   68   1H5*    A   7          2H5*        A   7  10.080   4.515   0.576
   69   2H5*    A   7          1H5*        A   7  10.144   6.275   0.397
   70    H4*    A   7           H4*        A   7  10.121   5.075  -1.740
   71    H3*    A   7           H3*        A   7   7.816   6.935  -1.237
   72    H2*    A   7          1H2*        A   7   7.214   6.490  -3.561
   73   2HO*    A   7          2HO*        A   7   9.526   6.387  -4.101
   74    H1*    A   7           H1*        A   7   7.477   3.817  -3.393
   75    H8     A   7           H8         A   7   6.178   4.886   0.005
   76   1H6     A   7          1H6         A   7   0.633   4.937  -2.832
   77   2H6     A   7          2H6         A   7   1.476   4.860  -1.261
   78    H2     A   7           H2         A   7   3.685   4.692  -5.924
   79   1H5*    A   8          2H5*        A   8   9.508   8.130  -4.998
   80   2H5*    A   8          1H5*        A   8   9.454   9.898  -5.062
   81    H4*    A   8           H4*        A   8   8.328   8.839  -6.973
   82    H3*    A   8           H3*        A   8   6.580  10.477  -5.162
   83    H2*    A   8          1H2*        A   8   4.855  10.152  -6.826
   84   2HO*    A   8          2HO*        A   8   5.881  10.291  -8.731
   85    H1*    A   8           H1*        A   8   5.300   7.497  -7.130
   86    H8     A   8           H8         A   8   5.803   8.269  -3.453
   87   1H6     A   8          1H6         A   8  -0.430   8.025  -3.186
   88   2H6     A   8          2H6         A   8   1.083   8.030  -2.238
   89    H2     A   8           H2         A   8   0.717   8.160  -7.393
   90   1H5*    G   9          2H5*        G   9   6.140  12.007  -9.225
   91   2H5*    G   9          1H5*        G   9   6.011  13.767  -9.089
   92    H4*    G   9           H4*        G   9   4.130  12.777 -10.324
   93    H3*    G   9           H3*        G   9   3.431  14.137  -7.722
   94    H2*    G   9          1H2*        G   9   1.094  13.800  -8.430
   95   2HO*    G   9          2HO*        G   9   1.949  14.093 -10.722
   96    H1*    G   9           H1*        G   9   1.433  11.233  -9.106
   97    H8     G   9           H8         G   9   3.598  11.844  -6.008
   98    H1     G   9           H1         G   9  -2.730  11.312  -4.901
   99   1H2     G   9          1H2         G   9  -3.770  11.538  -6.939
  100   2H2     G   9          2H2         G   9  -2.755  11.656  -8.419
  101   1H5*    C  10          2H5*        C  10   0.909  15.830 -10.645
  102   2H5*    C  10          1H5*        C  10   0.820  17.585 -10.412
  103    H4*    C  10           H4*        C  10  -1.420  16.588 -10.393
  104    H3*    C  10           H3*        C  10  -0.453  17.723  -7.767
  105    H2*    C  10          1H2*        C  10  -2.620  17.281  -6.860
  106   2HO*    C  10          2HO*        C  10  -3.412  17.772  -9.210
  107    H1*    C  10           H1*        C  10  -2.877  14.796  -7.989
  108   1H4     C  10          1H4         C  10-1009.000  14.072  -2.168
  109   2H4     C  10          2H4         C  10   0.707  13.923  -2.617
  110    H5     C  10           H5         C  10   1.426  14.686  -4.813
  111    H6     C  10           H6         C  10   0.622  15.168  -7.044
  112    H3T    C  10           H3T        C  10  -1.217  19.489  -8.606
  113   1H5*    G   1          2H5*        G   1 -11.274  13.257   3.032
  114   2H5*    G   1          1H5*        G   1 -11.768  11.593   2.671
  115    H4*    G   1           H4*        G   1 -11.287  12.898   0.736
  116    H3*    G   1           H3*        G   1  -9.758  10.425   1.173
  117    H1*    G   1           H1*        G   1  -9.016  13.651  -0.971
  118    H8     G   1           H8         G   1  -6.822  12.263   1.713
  119    H1     G   1           H1         G   1  -3.852  14.514  -3.505
  120   1H2     G   1          1H2         G   1  -5.470  14.616  -5.084
  121   2H2     G   1          2H2         G   1  -7.181  14.291  -4.679
  122   2H2*    G   1          1H2*        G   1  -9.179  11.470  -1.527
  123   1H2*    G   1          2H2*        G   1  -8.109  10.920  -0.221
  124    H5T    G   1           H5T        G   1  -9.097  12.222   3.291
  125   1H5*  5PC   2          1H5*      5PC   2 -11.824   9.672  -3.727
  126   2H5*  5PC   2          2H5*      5PC   2 -11.270  11.164  -2.944
  127    H4*  5PC   2           H4*      5PC   2 -10.392  10.909  -5.132
  128    H3*  5PC   2           H3*      5PC   2  -9.509   8.243  -4.302
  129   1H2*  5PC   2          1H2*      5PC   2  -7.700   9.263  -6.348
  130   2H2*  5PC   2          2H2*      5PC   2  -7.356   8.557  -4.738
  131    H1*  5PC   2           H1*      5PC   2  -7.516  11.395  -5.611
  132    H41  5PC   2           1H4      5PC   2  -2.491  10.808  -2.123
  133    H42  5PC   2           2H4      5PC   2  -3.588  10.285  -0.761
  134    H6   5PC   2           H6       5PC   2  -7.488   9.842  -2.354
  135    H91  5PC   2           1H9      5PC   2  -6.182   7.821   1.914
  136    H92  5PC   2           2H9      5PC   2  -4.996   9.003   2.546
  137    H93  5PC   2           3H9      5PC   2  -6.756   9.390   2.473
  138   1H5*  PDU   3          1H5*      PDU   3  -8.971   7.172  -9.519
  139   2H5*  PDU   3          2H5*      PDU   3  -8.707   8.755  -8.760
  140    H4*  PDU   3           H4*      PDU   3  -6.840   8.075 -10.065
  141    H3*  PDU   3           H3*      PDU   3  -6.849   5.541  -8.571
  142   2H2*  PDU   3          2H2*      PDU   3  -4.764   5.716  -7.871
  143    H1*  PDU   3           H1*      PDU   3  -4.118   8.414  -8.928
  144    H6   PDU   3           H6       PDU   3  -6.028   7.257  -6.035
  145    H3   PDU   3           H3       PDU   3  -1.305   8.161  -5.424
  146   1H5M  PDU   3          1H5M      PDU   3  -8.116   7.602  -1.660
  147   2H5M  PDU   3          2H5M      PDU   3  -8.024   5.886  -2.027
  148   3H5M  PDU   3          3H5M      PDU   3  -7.030   6.570  -0.685
  149   1H2*  PDU   3          1H2*      PDU   3  -4.130   6.192  -9.466
  150   1H5*  PDU   4          1H5*      PDU   4  -3.711   3.951 -12.632
  151   2H5*  PDU   4          2H5*      PDU   4  -3.797   5.534 -11.840
  152    H4*  PDU   4           H4*      PDU   4  -1.608   4.771 -11.973
  153    H3*  PDU   4           H3*      PDU   4  -2.424   2.195 -10.904
  154   2H2*  PDU   4          2H2*      PDU   4  -1.335   2.386  -8.986
  155    H1*  PDU   4           H1*      PDU   4   0.194   4.891  -9.638
  156    H6   PDU   4           H6       PDU   4  -2.993   4.210  -7.956
  157    H3   PDU   4           H3       PDU   4   0.970   4.907  -5.231
  158   1H5M  PDU   4          1H5M      PDU   4  -6.859   4.980  -5.266
  159   2H5M  PDU   4          2H5M      PDU   4  -6.678   3.231  -5.300
  160   3H5M  PDU   4          3H5M      PDU   4  -6.450   4.120  -3.748
  161   1H2*  PDU   4          1H2*      PDU   4   0.225   2.582  -9.826
  162   1H5*  5PC   5          1H5*      5PC   5   2.639   1.128 -12.457
  163   2H5*  5PC   5          2H5*      5PC   5   1.921   2.557 -11.685
  164    H4*  5PC   5           H4*      5PC   5   3.904   1.829 -10.512
  165    H3*  5PC   5           H3*      5PC   5   2.603  -0.821 -10.357
  166   1H2*  5PC   5          1H2*      5PC   5   4.420  -0.455  -8.093
  167   2H2*  5PC   5          2H2*      5PC   5   2.671  -0.844  -8.120
  168    H1*  5PC   5           H1*      5PC   5   4.106   1.815  -7.964
  169    H41  5PC   5           1H4      5PC   5   0.510   1.706  -2.960
  170    H42  5PC   5           2H4      5PC   5  -0.933   1.544  -4.067
  171    H6   5PC   5           H6       5PC   5   0.630   0.930  -8.002
  172    H91  5PC   5           1H9      5PC   5  -4.347   1.800  -6.768
  173    H92  5PC   5           2H9      5PC   5  -4.199   0.047  -6.696
  174    H93  5PC   5           3H9      5PC   5  -4.288   1.000  -5.171
  175   1H5*  PDU   6          1H5*      PDU   6   7.660  -2.432  -9.389
  176   2H5*  PDU   6          2H5*      PDU   6   6.911  -0.875  -8.994
  177    H4*  PDU   6           H4*      PDU   6   8.028  -1.825  -7.172
  178    H3*  PDU   6           H3*      PDU   6   6.521  -4.293  -7.556
  179   2H2*  PDU   6          2H2*      PDU   6   5.424  -4.196  -5.640
  180    H1*  PDU   6           H1*      PDU   6   6.770  -1.769  -4.506
  181    H6   PDU   6           H6       PDU   6   3.792  -2.273  -6.575
  182    H3   PDU   6           H3       PDU   6   3.281  -1.700  -1.775
  183   1H5M  PDU   6          1H5M      PDU   6  -1.014  -1.163  -8.167
  184   2H5M  PDU   6          2H5M      PDU   6  -0.104  -2.522  -8.877
  185   3H5M  PDU   6          3H5M      PDU   6  -1.394  -2.804  -7.643
  186   1H2*  PDU   6          1H2*      PDU   6   6.925  -4.054  -4.687
  187   1H5*  5PC   7          1H5*      5PC   7  10.140  -5.945  -3.945
  188   2H5*  5PC   7          2H5*      5PC   7   9.272  -4.412  -4.115
  189    H4*  5PC   7           H4*      5PC   7   9.105  -5.284  -1.860
  190    H3*  5PC   7           H3*      5PC   7   8.006  -7.740  -3.118
  191   1H2*  5PC   7          1H2*      5PC   7   7.060  -7.387  -0.346
  192   2H2*  5PC   7          2H2*      5PC   7   6.139  -7.652  -1.858
  193    H1*  5PC   7           H1*      5PC   7   6.989  -5.108  -0.468
  194    H41  5PC   7           1H4      5PC   7   0.876  -4.604  -1.128
  195    H42  5PC   7           2H4      5PC   7   1.122  -4.693  -2.934
  196    H6   5PC   7           H6       5PC   7   5.244  -5.706  -3.538
  197    H91  5PC   7           1H9      5PC   7   1.591  -4.679  -7.209
  198    H92  5PC   7           2H9      5PC   7   1.662  -6.433  -7.024
  199    H93  5PC   7           3H9      5PC   7   0.298  -5.500  -6.297
  200   1H5*  PDU   8          1H5*      PDU   8   9.704  -9.690   1.648
  201   2H5*  PDU   8          2H5*      PDU   8   9.144  -8.046   1.277
  202    H4*  PDU   8           H4*      PDU   8   8.166  -8.961   3.252
  203    H3*  PDU   8           H3*      PDU   8   7.277 -11.213   1.589
  204   2H2*  PDU   8          2H2*      PDU   8   5.138 -10.896   1.932
  205    H1*  PDU   8           H1*      PDU   8   5.282  -8.506   3.707
  206    H6   PDU   8           H6       PDU   8   5.308  -9.045   0.078
  207    H3   PDU   8           H3       PDU   8   1.076  -8.001   2.219
  208   1H5M  PDU   8          1H5M      PDU   8   3.954  -8.006  -4.915
  209   2H5M  PDU   8          2H5M      PDU   8   4.090  -9.761  -4.706
  210   3H5M  PDU   8          3H5M      PDU   8   2.465  -8.960  -4.749
  211   1H2*  PDU   8          1H2*      PDU   8   5.321 -10.819   3.715
  212   1H5*  PDU   9          1H5*      PDU   9   6.491 -13.627   6.343
  213   2H5*  PDU   9          2H5*      PDU   9   6.264 -11.906   5.981
  214    H4*  PDU   9           H4*      PDU   9   4.375 -12.894   7.088
  215    H3*  PDU   9           H3*      PDU   9   4.303 -14.845   4.877
  216   2H2*  PDU   9          2H2*      PDU   9   2.252 -14.381   4.275
  217    H1*  PDU   9           H1*      PDU   9   1.701 -12.095   6.094
  218    H6   PDU   9           H6       PDU   9   3.513 -12.518   2.921
  219    H3   PDU   9           H3       PDU   9  -1.129 -11.114   2.721
  220   1H5M  PDU   9          1H5M      PDU   9   5.401 -11.035  -1.401
  221   2H5M  PDU   9          2H5M      PDU   9   5.538 -12.776  -1.164
  222   3H5M  PDU   9          3H5M      PDU   9   4.413 -12.107  -2.416
  223   1H2*  PDU   9          1H2*      PDU   9   1.606 -14.385   5.957
  224   1H5*    C  10          2H5*        C  10   1.337 -15.616   8.172
  225   2H5*    C  10          1H5*        C  10   1.173 -17.356   8.444
  226    H4*    C  10           H4*        C  10  -1.050 -16.451   8.255
  227    H3*    C  10           H3*        C  10  -0.160 -17.918   5.775
  228    H1*    C  10           H1*        C  10  -2.756 -15.019   6.122
  229   1H4     C  10          1H4         C  10  -1.758 -13.760   0.093
  230   2H4     C  10          2H4         C  10  -0.029 -14.200   0.079
  231    H5     C  10           H5         C  10   0.867 -15.332   2.087
  232    H6     C  10           H6         C  10   0.309 -15.943   4.450
  233    H3T    C  10           H3T        C  10  -0.529 -19.212   7.531
  234   2H2*    C  10          1H2*        C  10  -3.050 -17.283   6.231
  235   1H2*    C  10          2H2*        C  10  -2.087 -17.438   4.713