*HEADER    RNA                                     15-AUG-05   2AP0              
*TITLE     SOLUTION STRUCTURE OF THE C27A SCYLV P1-P2 FRAMESHIFTING              
*TITLE    2 PSEUDOKNOT, 20 LOWEST ENERGY STRUCTURES                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C27A SUGARCANE YELLOW LEAF VIRUS RNA PSEUDOKNOT;           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: MUTANT OF NATURALLY OCCURING RNA FRAGMENT             
*SOURCE   4 THAT FORMS AN RNA PSEUDOKNOT IN SUGARCANE YELLOW LEAF VIRUS          
*KEYWDS    RNA PSEUDOKNOT; FRAMESHIFTING                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    P.V.CORNISH, D.P.GIEDROC                                              
*REVDAT   1   05-SEP-06 2AP0    0                                                

assign (residue 3 and name H1')(residue 3 and name H2')   2.5  0.5  0.5
assign (residue 3 and name H1')(residue 3 and name H3')   3.3  0.7  0.7
assign (residue 3 and name H1')(residue 3 and name H4')   4.3  0.7  0.7
assign (residue 3 and name H1')(residue 3 and name H8)    3.3  0.5  1.0
assign (residue 4 and name H1')(residue 4 and name H2')   2.5  0.5  0.5
assign (residue 4 and name H1')(residue 4 and name H4')   4.3  1.0  0.5
assign (residue 5 and name H1')(residue 5 and name H2')   2.5  0.5  0.5
assign (residue 5 and name H2')(residue 16 and name H2)   4.5  1.0  1.0
assign (residue 5 and name H2')(residue 6 and name H8)    3.2  1.0  1.0
assign (residue 6 and name H1')(residue 6 and name H2')   2.5  0.5  1.0
assign (residue 6 and name H1')(residue 16 and name H2)   5.0  1.5  1.5
assign (residue 6 and name H4')(residue 22 and name H8)   4.3  1.0  1.0
assign (residue 6 and name H4')(residue 21 and name H8)   4.0  1.5  1.0
assign (residue 7 and name H1')(residue 7 and name H2')   2.5  0.5  0.5
assign (residue 7 and name H1')(residue 7 and name H4')   3.3  1.0  1.0
assign (residue 7 and name H1')(residue 7 and name H8)    4.3  1.0  1.0
assign (residue 7 and name H2')(residue 8 and name H6)    2.5  0.7  1.0
assign (residue 8 and name H1')(residue 8 and name H2')   2.5  0.5  0.5
assign (residue 8 and name H1')(residue 8 and name H3')   4.3  0.8  0.8
assign (residue 8 and name H1')(residue 8 and name H4')   3.3  0.7  1.0
assign (residue 8 and name H1')(residue 8 and name H6)    4.5  1.5  1.5
assign (residue 8 and name H2')(residue 8 and name H6)    4.5  1.5  1.5
assign (residue 8 and name H2')(residue 8 and name H3')   2.5  0.5  0.8
assign (residue 8 and name H3')(residue 8 and name H6)    3.3  1.0  1.0
assign (residue 9 and name H1')(residue 9 and name H2')   2.5  0.5  0.5
assign (residue 9 and name H1')(residue 9 and name H8)    3.3  1.5  1.5
assign (residue 9 and name H2')(residue 9 and name H8)    3.7  1.5  1.5
assign (residue 9 and name H2')(residue 10 and name H6)   3.3  1.0  1.0
assign (residue 10 and name H1')(residue 10 and name H2') 2.5  0.5  0.5
assign (residue 10 and name H1')(residue 10 and name H3') 4.3  0.7  0.7
assign (residue 10 and name H1')(residue 10 and name H4') 3.3  0.7  0.7
assign (residue 10 and name H2')(residue 11 and name H6)  2.5  0.7  0.7
assign (residue 11 and name H1')(residue 11 and name H2') 2.7  0.5  0.5
assign (residue 11 and name H1')(residue 11 and name H4') 3.3  0.7  0.7
assign (residue 11 and name H1')(residue 11 and name H6)  4.3  1.0  1.0
assign (residue 11 and name H2')(residue 12 and name H8)  2.7  0.8  0.8
assign (residue 11 and name H3')(residue 12 and name H8)  3.7  1.0  1.0
assign (residue 12 and name H1')(residue 12 and name H2') 2.5  0.5  0.5
assign (residue 12 and name H1')(residue 12 and name H8)  4.3  1.0  1.0
assign (residue 12 and name H3')(residue 12 and name H8)  3.7  1.0  1.5
assign (residue 13 and name H1')(residue 13 and name H2') 2.5  0.5  0.5
assign (residue 13 and name H1')(residue 13 and name H3') 4.3  0.7  0.7
assign (residue 13 and name H1')(residue 13 and name H8)  3.3  1.0  1.0
assign (residue 13 and name H2')(residue 13 and name H8)  2.8  0.5  0.8
assign (residue 13 and name H3')(residue 13 and name H8)  4.3  0.7  0.7
assign (residue 14 and name H1')(residue 14 and name H2') 2.5  0.5  0.5
assign (residue 14 and name H1')(residue 27 and name H2)  4.0  0.7  0.7
assign (residue 14 and name H1')(residue 14 and name H6)  4.3  1.0  1.0
assign (residue 14 and name H1')(residue 15 and name H5)  4.5  1.0  1.0
assign (residue 14 and name H1')(residue 15 and name H6)  5.0  1.0  1.0
assign (residue 14 and name H1')(residue 26 and name H2)  4.5  1.0  1.0
assign (residue 14 and name H2')(residue 14 and name H6)  4.0  1.0  1.0
assign (residue 14 and name H2')(residue 15 and name H5)  3.3  0.8  0.8
assign (residue 14 and name H2')(residue 15 and name H6)  2.5  0.5  0.5
assign (residue 14 and name H6 )(residue 15 and name H6)  5.0  1.5  1.5
assign (residue 15 and name H1')(residue 15 and name H2')  2.5  0.5  0.5
assign (residue 15 and name H1')(residue 15 and name H4')  3.3  0.7  0.7
assign (residue 15 and name H1')(residue 26 and name H2)   2.8  1.0  1.0
assign (residue 15 and name H2')(residue 16 and name H8)   2.5  0.5  0.5
assign (residue 15 and name H2')(residue 26 and name H2)   4.3  1.0  1.0
assign (residue 15 and name H3')(residue 16 and name H8)   3.3  0.7  0.7
assign (residue 15 and name H4')(residue 26 and name H2)   4.3  1.0  1.0
assign (residue 16 and name H1')(residue 16 and name H2') 2.5  0.5  0.5
assign (residue 16 and name H1')(residue 16 and name H4') 3.3  0.7  0.7
assign (residue 16 and name H1')(residue 16 and name H2)  4.5  0.7  0.7
assign (residue 16 and name H1')(residue 16 and name H8)  3.7  1.0  1.0
assign (residue 16 and name H1')(residue 17 and name H6)  4.5  1.0  1.0
assign (residue 16 and name H1')(residue 23 and name H2)  3.3  1.0  1.0
assign (residue 16 and name H2')(residue 17 and name H5)  4.3  0.7  0.7
assign (residue 16 and name H2')(residue 17 and name H6)  2.5  0.8  1.0
assign (residue 16 and name H2')(residue 23 and name H2)  4.5  1.0  1.0
assign (residue 16 and name H3')(residue 17 and name H6)  3.5  1.0  1.0
assign (residue 16 and name H4')(residue 23 and name H2)  3.0  1.0  1.0
assign (residue 17 and name H1')(residue 17 and name H2') 2.5  0.5  0.5
assign (residue 17 and name H1')(residue 17 and name H3') 4.3  0.7  0.7
assign (residue 17 and name H1')(residue 17 and name H4') 3.3  0.7  0.7
assign (residue 17 and name H1')(residue 16 and name H2)  3.5  1.0  1.0
assign (residue 17 and name H1')(residue 18 and name H6)  4.5  1.5  1.5
assign (residue 17 and name H1')(residue 21 and name H2)  4.3  0.7  0.7
assign (residue 17 and name H1')(residue 22 and name H2)  5.0  1.0  1.0
assign (residue 17 and name H2')(residue 18 and name H6)  2.5  0.5  0.5
assign (residue 17 and name H2')(residue 20 and name H2)  4.0  1.0  1.0
assign (residue 17 and name H4')(residue 21 and name H2)  4.0  0.8  0.8
assign (residue 17 and name H4')(residue 22 and name H2)  3.0  1.0  1.0
assign (residue 18 and name H1')(residue 18 and name H2') 2.5  0.5  0.5
assign (residue 18 and name H1')(residue 18 and name H3') 4.3  0.7  0.7
assign (residue 18 and name H1')(residue 18 and name H4') 3.3  0.7  0.7
assign (residue 18 and name H1')(residue 18 and name H5') 5.0  1.0  1.0
assign (residue 18 and name H1')(residue 18 and name H5'') 5.0 1.0  1.0
assign (residue 18 and name H1')(residue 18 and name H6)  4.3  0.7  0.7
assign (residue 18 and name H1')(residue 19 and name H5)  3.3  0.7  0.7
assign (residue 18 and name H1')(residue 19 and name H6)  3.3  0.7  0.7
assign (residue 18 and name H1')(residue 20 and name H2)  3.3  1.0  1.0
assign (residue 18 and name H2')(residue 18 and name H6)  2.6  0.5  0.5
assign (residue 18 and name H3')(residue 20 and name H2)  5.0  1.0  1.0
assign (residue 18 and name H4')(residue 20 and name H2)  2.5  0.5  1.0
assign (residue 18 and name H4')(residue 19 and name H5') 3.5  1.0  1.0
assign (residue 18 and name H4')(residue 19 and name H5'') 3.5 1.0  1.0
assign (residue 18 and name H5')(residue 20 and name H2)  5.0  1.0  1.0
assign (residue 18 and name H5'')(residue 20 and name H2) 5.0  1.0  1.0
assign (residue 19 and name H1')(residue 19 and name H2') 2.5  0.5  0.5
assign (residue 19 and name H1')(residue 19 and name H3') 4.3  0.7  0.7
assign (residue 19 and name H1')(residue 19 and name H4') 3.3  0.7  0.7
assign (residue 19 and name H1')(residue 19 and name H5') 5.0  1.0  1.5
assign (residue 19 and name H1')(residue 19 and name H5'') 5.0 1.0  1.5
assign (residue 19 and name H1')(residue 19 and name H6)  3.3  0.7  0.7
assign (residue 19 and name H2')(residue 19 and name H3') 2.5  0.5  0.5
assign (residue 19 and name H2')(residue 19 and name H5)  4.3  0.7  0.7
assign (residue 19 and name H2')(residue 19 and name H6)  2.5  0.5  0.5
assign (residue 19 and name H3')(residue 19 and name H4') 2.5  0.5  0.5
assign (residue 19 and name H3')(residue 19 and name H5') 3.3  0.7  0.7
assign (residue 19 and name H3')(residue 19 and name H5'') 3.3 0.7  0.7
assign (residue 19 and name H3')(residue 19 and name H6)  4.3  1.0  1.0
assign (residue 19 and name H4')(residue 19 and name H5') 3.3  0.7  0.7
assign (residue 19 and name H4')(residue 19 and name H5'') 3.3 0.7  0.7
assign (residue 19 and name H5')(residue 19 and name H6)  5.0  1.0  1.0
assign (residue 19 and name H5')(residue 20 and name H2)  5.0  1.5  1.5
assign (residue 19 and name H5'')(residue 19 and name H6) 5.0  1.0  1.0
assign (residue 19 and name H5'')(residue 20 and name H2) 5.0  1.5  1.5
assign (residue 19 and name H6 )(residue 20 and name H2)  5.0  1.5  1.5
assign (residue 20 and name H1')(residue 19 and name H4') 5.0  1.0  1.0
assign (residue 20 and name H1')(residue 19 and name H5') 5.0  1.0  1.0
assign (residue 20 and name H1')(residue 19 and name H5'') 5.0 1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H2') 2.5  0.5  0.5
assign (residue 20 and name H1')(residue 20 and name H4') 3.3  0.7  0.7
assign (residue 20 and name H1')(residue 20 and name H5') 5.0  1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H5'') 5.0 1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H2)  4.5  1.0  1.0
assign (residue 20 and name H1')(residue 20 and name H8)  4.3  0.7  0.7
assign (residue 20 and name H1')(residue 21 and name H2)  5.0  1.5  1.5
assign (residue 20 and name H1')(residue 21 and name H8)  5.0  1.0  1.0
assign (residue 20 and name H2')(residue 20 and name H8)  2.5  0.5  0.7
assign (residue 20 and name H3')(residue 20 and name H8)  3.3  0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H5') 2.7  0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H5'') 2.7 0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H8)  5.0  1.0  1.0
assign (residue 20 and name H5')(residue 20 and name H8)  5.0  1.0  1.5
assign (residue 20 and name H5'')(residue 20 and name H8) 5.0  1.0  1.5
assign (residue 20 and name H2 )(residue 21 and name H2)  4.5  1.0  1.0
assign (residue 21 and name H1')(residue 21 and name H2') 3.3  1.0  1.0
assign (residue 21 and name H1')(residue 21 and name H4') 3.3  1.0  1.0
assign (residue 21 and name H1')(residue 21 and name H5') 5.0  1.0  1.5
assign (residue 21 and name H1')(residue 21 and name H5'') 5.0 1.0  1.5
assign (residue 21 and name H1')(residue 21 and name H8)  4.3  0.7  0.7
assign (residue 21 and name H1')(residue 22 and name H1') 5.0  1.0  1.0
assign (residue 21 and name H1')(residue 22 and name H8)  2.5  0.7  0.7
assign (residue 21 and name H4')(residue 22 and name H8)  5.0  1.0  1.0
assign (residue 21 and name H2 )(residue 22 and name H1') 4.3  1.0  1.0
assign (residue 21 and name H2 )(residue 22 and name H2)  5.0  1.0  1.0
assign (residue 21 and name H2 )(residue 22 and name H8)  5.0  1.0  1.0
assign (residue 22 and name H1')(residue 22 and name H2') 2.5  0.5  0.5
assign (residue 22 and name H1')(residue 22 and name H4') 3.3  0.7  0.7
assign (residue 22 and name H1')(residue 22 and name H8)  4.3  1.0  1.0
assign (residue 22 and name H1')(residue 23 and name H8)  5.0  1.0  1.0
assign (residue 22 and name H2')(residue 23 and name H8)  2.5  0.5  0.5
assign (residue 22 and name H5')(residue 22 and name H8)  4.3  0.7  0.7
assign (residue 22 and name H5'')(residue 22 and name H8) 4.3  0.7  0.7
assign (residue 22 and name H2 )(residue 23 and name H1') 5.0  1.0  1.0
assign (residue 22 and name H2 )(residue 23 and name H2)  5.0  1.5  1.5
assign (residue 22 and name H8)(residue 23 and name H8)   4.5  1.0  0.7
assign (residue 23 and name H1')(residue 23 and name H2') 2.5  0.5  0.7
assign (residue 23 and name H1')(residue 23 and name H3') 4.3  0.7  0.7
assign (residue 23 and name H1')(residue 23 and name H4') 3.3  0.7  0.7
assign (residue 23 and name H1')(residue 23 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H1')(residue 24 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H2')(residue 23 and name H3') 2.5  0.5  0.5
assign (residue 23 and name H2')(residue 23 and name H8)  4.3  1.0  1.0
assign (residue 23 and name H2')(residue 24 and name H8)  3.3  0.7  0.7
assign (residue 23 and name H3')(residue 23 and name H8)  3.3  0.7  0.7
assign (residue 23 and name H8)(residue 24 and name H8)   5.0  1.5  1.5
assign (residue 24 and name H1')(residue 24 and name H2') 3.3  0.7  0.7
assign (residue 24 and name H1')(residue 24 and name H4') 3.3  1.0  0.7
assign (residue 24 and name H1')(residue 24 and name H8)  4.3  0.7  0.7
assign (residue 24 and name H1')(residue 26 and name H1') 3.5  0.7  0.7
assign (residue 24 and name H2)(residue  26 and name H1') 3.7  1.0  1.0
assign (residue 24 and name H1')(residue 26 and name H8)  4.0  1.0  1.0
assign (residue 24 and name H2')(residue 24 and name H8)  2.5  0.5  0.5
assign (residue 24 and name H2 )(residue 26 and name H2)   4.5  1.0  1.0
assign (residue 25 and name H1')(residue 25 and name H2')  2.5  0.5  0.5
assign (residue 25 and name H1')(residue 25 and name H3')  3.3  0.7  0.7
assign (residue 25 and name H1')(residue 25 and name H4')  3.3  0.7  0.7
assign (residue 25 and name H1')(residue 25 and name H5)  4.3  1.5  1.5
assign (residue 25 and name H1')(residue 25 and name H6)  3.3  1.0  1.0
assign (residue 25 and name H4')(residue 25 and name H6)  5.0  1.0  1.0
assign (residue 26 and name H1')(residue 26 and name H2')  2.5  0.5  0.5
assign (residue 26 and name H2 )(residue 27 and name H2)   4.5  1.0  1.0
assign (residue 26 and name H1')(residue 26 and name H3')  4.0  1.0  1.0
assign (residue 26 and name H2')(residue 27 and name H8)   2.5  0.5  0.8
assign (residue 26 and name H3')(residue 27 and name H8)   4.0  1.0  1.0
assign (residue 26 and name H8)(residue 27 and name H8)    5.0  1.5  1.5
assign (residue 27 and name H1')(residue 27 and name H2')  2.5  0.5  0.5
assign (residue 27 and name H1')(residue 27 and name H4')  3.3  0.7  0.7
assign (residue 27 and name H2 )(residue 28 and name H1')  3.5  1.0  1.0
assign (residue 28 and name H1')(residue 28 and name H2')  2.5  0.5  0.5
assign (residue 28 and name H1')(residue 28 and name H4')  3.3  0.7  0.7
assign (residue 28 and name H2')(residue 29 and name H8)   2.5  0.7  0.7
assign (residue 29 and name H1')(residue 29 and name H2')  2.5  0.5  0.5
assign (residue 29 and name H1')(residue 29 and name H4')  3.3  0.7  0.7
assign (residue 29 and name H2')(residue 30 and name H8)   2.5  0.7  0.7
assign (residue 30 and name H1')(residue 30 and name H2')  2.5  0.5  0.5
assign (residue 30 and name H1')(residue 30 and name H4')  3.3  0.7  0.7
assign (residue 3 and name H2)(residue 4 and name H1)   5.0  1.0  1.0
assign (residue 3 and name H2)(residue 18 and name H3)  2.7  0.5  0.5
assign (residue 4 and name H1)(residue 5 and name H3)   3.0  0.7  0.7
assign (residue 4 and name H1)(residue 18 and name H3)  3.3  0.7  0.7
assign (residue 4 and name H1)(residue 21 and name H6#) 4.5  1.0  1.0
assign (residue 5 and name H1')(residue 21 and name H6#) 2.8  1.0  1.0
assign (residue 5 and name H3)(residue 16 and name H2)  3.0  0.5  0.5
assign (residue 5 and name H3)(residue 21 and name H6#) 4.5  1.0  1.0
assign (residue 5 and name H3)(residue 22 and name H6#) 4.5  1.0  1.0
assign (residue 6 and name H1')(residue 22 and name H6#) 4.5  1.0  1.0
assign (residue 6 and name H1')(residue 23 and name H6#) 2.5  0.7  0.7
assign (residue 6 and name H1)(residue 7 and name H1)   3.5  0.7  0.7
assign (residue 6 and name H1)(residue 15 and name H41) 3.0  0.8  0.8
assign (residue 6 and name H1)(residue 15 and name H42) 2.0  0.7  0.7
assign (residue 7 and name H1)(residue 8 and name H3)   3.7  1.0  1.0
assign (residue 7 and name H1)(residue 14 and name H41) 3.0  0.7  0.7
assign (residue 7 and name H1)(residue 14 and name H42) 2.5  0.7  0.7
assign (residue 7 and name H1')(residue 26 and name H6#) 3.3 0.7  0.7
assign (residue 7 and name H2')(residue 26 and name H6#) 4.0 0.7  0.7
assign (residue 8 and name H1')(residue 26 and name H6#) 4.0  0.7  0.7
assign (residue 8 and name H4')(residue 26 and name H6#) 5.0  1.0  1.0
assign (residue 14 and name HO2')(residue 15 and name H6)  3.3  0.7  0.7
assign (residue 14 and name HO2')(residue 26 and name H2) 4.0  1.0  1.0
assign (residue 14 and name HO2')(residue 27 and name H2) 2.7  1.0  1.0
assign (residue 14 and name HO2')(residue 27 and name H6#) 3.5 0.7  0.7
assign (residue 15 and name H1')(residue 26 and name H6#) 4.3  0.7  0.7
assign (residue 15 and name HO2')(residue 16 and name H8) 3.7  1.0  1.0
assign (residue 15 and name HO2')(residue 24 and name H2) 2.7  1.0  0.7
assign (residue 15 and name HO2')(residue 26 and name H2) 3.5  1.0  1.0
assign (residue 16 and name H1')(residue 22 and name H6#) 4.0  1.0  1.0
assign (residue 16 and name H2')(residue 22 and name H6#) 2.5  0.7  0.7
assign (residue 16 and name H2)(residue 22 and name H6#)  3.0  1.5  1.5
assign (residue 17 and name H1')(residue 21 and name H6#) 2.5  1.0  1.0
assign (residue 17 and name H1')(residue 22 and name H6#) 2.5  1.0  1.0
assign (residue 21 and name H2)(residue 22 and name H6#)  4.0  1.0  1.0
assign (residue 22 and name H6#)(residue 23 and name H2)  4.0  1.0  1.0
assign (residue 22 and name H6#)(residue 23 and name H6#) 3.5  1.0  1.0
assign (residue 23 and name H1')(residue 23 and name HO2') 3.3  0.7  0.7
assign (residue 26 and name H2)(residue 27 and name H6#)  4.0  1.0  1.0
assign (residue 27 and name H62)(residue 12 and name H1)  4.0  1.0  1.0
assign (residue 27 and name H62)(residue 8 and name H3)   5.0  1.0  1.0
{Base pair interactions to prevent shearing}
{ A3 U18 }
assign (residue 3 and name N1 )(residue 18 and name H3)    1.85  0.30  0.30
assign (residue 3 and name N1 )(residue 18 and name N3)    2.82  0.20  0.20
assign (residue 3 and name H62)(residue 18 and name O4)    1.85  0.30  0.30
assign (residue 3 and name N6 )(residue 18 and name O4)    2.95  0.20  0.20
assign (residue 3 and name N1 )(residue 18 and name O4)    3.63  0.20  0.20
assign (residue 3 and name N6 )(residue 18 and name O2)    5.40  0.20  0.20
{ G4 C17 }
assign (residue 4 and name O6 )(residue 17 and name H42)   1.85  0.30  0.30
assign (residue 4 and name O6 )(residue 17 and name N4 )   2.91  0.20  0.20
assign (residue 4 and name H1 )(residue 17 and name N3 )   1.85  0.30  0.30
assign (residue 4 and name N1 )(residue 17 and name N3 )   2.95  0.20  0.20
assign (residue 4 and name H22)(residue 17 and name O2 )   1.85  0.30  0.30
assign (residue 4 and name N2 )(residue 17 and name O2 )   2.86  0.20  0.20
assign (residue 4 and name N2 )(residue 17 and name N3 )   3.65  0.20  0.20
assign (residue 4 and name O6 )(residue 17 and name O2 )   5.42  0.20  0.20
{ U5 A16 }
assign (residue 5 and name H3)(residue 16 and name N1 )    1.85  0.30  0.30
assign (residue 5 and name N3)(residue 16 and name N1 )    2.82  0.20  0.20
assign (residue 5 and name O4)(residue 16 and name H62)    1.85  0.30  0.30
assign (residue 5 and name O4)(residue 16 and name N6 )    2.95  0.20  0.20
assign (residue 5 and name O4)(residue 16 and name N1 )    3.63  0.20  0.20
assign (residue 5 and name O2)(residue 16 and name N6 )    5.40  0.20  0.20
{ G6 C15 }
assign (residue 6 and name O6 )(residue 15 and name H42)   1.85  0.30  0.30
assign (residue 6 and name O6 )(residue 15 and name N4 )   2.91  0.20  0.20
assign (residue 6 and name H1 )(residue 15 and name N3 )   1.85  0.30  0.30
assign (residue 6 and name N1 )(residue 15 and name N3 )   2.95  0.20  0.20
assign (residue 6 and name H22)(residue 15 and name O2 )   1.85  0.30  0.30
assign (residue 6 and name N2 )(residue 15 and name O2 )   2.86  0.20  0.20
assign (residue 6 and name N2 )(residue 15 and name N3 )   3.65  0.20  0.20
assign (residue 6 and name O6 )(residue 15 and name O2 )   5.42  0.20  0.20
{ G7 C14 }
assign (residue 7 and name O6 )(residue 14 and name H42)   1.85  0.30  0.30
assign (residue 7 and name O6 )(residue 14 and name N4 )   2.91  0.20  0.20
assign (residue 7 and name H1 )(residue 14 and name N3 )   1.85  0.30  0.30
assign (residue 7 and name N1 )(residue 14 and name N3 )   2.95  0.20  0.20
assign (residue 7 and name H22)(residue 14 and name O2 )   1.85  0.30  0.30
assign (residue 7 and name N2 )(residue 14 and name O2 )   2.86  0.20  0.20
assign (residue 7 and name N2 )(residue 14 and name N3 )   3.65  0.20  0.20
assign (residue 7 and name O6 )(residue 14 and name O2 )   5.42  0.20  0.20
{ C10 G30 }
assign (residue 10 and name H42)(residue 30 and name O6 )   1.85  0.30  0.30
assign (residue 10 and name N4 )(residue 30 and name O6 )   2.91  0.20  0.20
assign (residue 10 and name N3 )(residue 30 and name H1 )   1.85  0.30  0.30
assign (residue 10 and name N3 )(residue 30 and name N1 )   2.95  0.20  0.20
assign (residue 10 and name O2 )(residue 30 and name H22)   1.85  0.30  0.30
assign (residue 10 and name O2 )(residue 30 and name N2 )   2.86  0.20  0.20
assign (residue 10 and name N3 )(residue 30 and name N2 )   3.65  0.20  0.20
assign (residue 10 and name O2 )(residue 30 and name O6 )   5.42  0.20  0.20
{ C11 G29 }
assign (residue 11 and name H42)(residue 29 and name O6 )   1.85  0.30  0.30
assign (residue 11 and name N4 )(residue 29 and name O6 )   2.91  0.20  0.20
assign (residue 11 and name N3 )(residue 29 and name H1 )   1.85  0.30  0.30
assign (residue 11 and name N3 )(residue 29 and name N1 )   2.95  0.20  0.20
assign (residue 11 and name O2 )(residue 29 and name H22)   1.85  0.30  0.30
assign (residue 11 and name O2 )(residue 29 and name N2 )   2.86  0.20  0.20
assign (residue 11 and name N3 )(residue 29 and name N2 )   3.65  0.20  0.20
assign (residue 11 and name O2 )(residue 29 and name O6 )   5.42  0.20  0.20
{ G12 C28 }
assign (residue 12 and name O6 )(residue 28 and name H42)  1.85  0.30  0.30
assign (residue 12 and name O6 )(residue 28 and name N4 )  2.91  0.20  0.20
assign (residue 12 and name H1 )(residue 28 and name N3 )  1.85  0.30  0.30
assign (residue 12 and name N1 )(residue 28 and name N3 )  2.95  0.20  0.20
assign (residue 12 and name H22)(residue 28 and name O2 )  1.85  0.30  0.30
assign (residue 12 and name N2 )(residue 28 and name O2 )  2.86  0.20  0.20
assign (residue 12 and name N2 )(residue 28 and name N3 )  3.65  0.20  0.20
assign (residue 12 and name O6 )(residue 28 and name O2 )  5.42  0.20  0.20
{Additional Interactions}
{ C8 G12 }
assign (residue 8 and name N3)(residue 12 and name O6 )    2.90  0.10  0.10
assign (residue 8 and name H3)(residue 12 and name O6)     2.00  0.40  0.40
assign (residue 8 and name N4)(residue 12 and name N7 )    2.90  0.10  0.10
assign (residue 8 and name H42)(residue 12 and name N7)    2.00  0.30  0.30

assign (residue 15 and name O2')(residue 24 and name N1)   2.90  0.30  0.30
assign (residue 15 and name HO2')(residue 24 and name N1)  1.90  0.30  0.30
assign (residue 14 and name O2')(residue 27 and name N1)   2.90  0.30  0.30
assign (residue 14 and name HO2')(residue 27 and name N1)  1.90  0.30  0.30
assign (residue 16 and name O2')(residue 22 and name N1)   2.90  0.30  0.30
assign (residue 16 and name HO2')(residue 22 and name N1)  1.90  0.30  0.30
assign (residue 17 and name O2')(residue 21 and name N1)   2.90  0.30  0.30
assign (residue 17 and name HO2')(residue 21 and name N1)  1.90  0.30  0.30

restraints plane
   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 3 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 18 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 4 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 17 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 5 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 16 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 6 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 15 )
        )
   end
group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 7 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 14 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 8 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 12 )
        )
   end




   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 10 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 30 )
        )
   end

   group
        selection=(
          (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 11 )
        or  (not( name P   or name O1P or name O2P or name O5' or name H5T or
                name H1' or name H2' or name H3' or name H4' or name H5' or
                name H2""" or name H5""" or
                name O3' {or name C1'} or name C2' or name C3' or name C4' or
                name C5' or name O4' or name H3T) and residue 29 )
        )
   end



end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    A   3          2H5*        A   3  -7.546   5.127  -7.751
    2   2H5*    A   3          1H5*        A   3  -6.977   3.658  -8.599
    3    H4*    A   3           H4*        A   3  -6.395   5.727  -9.798
    4    H3*    A   3           H3*        A   3  -4.192   4.009  -8.672
    5    H2*    A   3           H2*        A   3  -2.493   5.499  -9.334
    6   2HO*    A   3          2HO*        A   3  -2.756   7.034 -10.879
    7    H1*    A   3           H1*        A   3  -3.817   7.829  -8.697
    8    H8     A   3           H8         A   3  -4.744   6.040  -5.756
    9   1H6     A   3          2H6         A   3   0.662   7.794  -3.391
   10   2H6     A   3          1H6         A   3  -0.973   7.204  -3.044
   11    H2     A   3           H2         A   3   0.924   8.141  -7.868
   12   1H5*    G   4          1H5*        G   4  -2.657   3.517 -12.278
   13   2H5*    G   4          2H5*        G   4  -2.514   1.814 -12.750
   14    H4*    G   4           H4*        G   4  -0.338   2.852 -12.648
   15    H3*    G   4           H3*        G   4  -0.857   1.061 -10.259
   16    H2*    G   4           H2*        G   4   1.447   1.405  -9.647
   17   2HO*    G   4          2HO*        G   4   1.627   2.100 -12.314
   18    H1*    G   4           H1*        G   4   1.421   4.057 -10.194
   19    H8     G   4           H8         G   4  -1.856   3.537  -8.498
   20    H1     G   4           H1         G   4   2.983   5.178  -4.618
   21   1H2     G   4          2H2         G   4   4.908   4.793  -5.673
   22   2H2     G   4          1H2         G   4   4.997   4.145  -7.295
   23   1H5*    U   5          2H5*        U   5   2.702  -0.565 -11.613
   24   2H5*    U   5          1H5*        U   5   3.014  -2.074 -10.718
   25    H4*    U   5           H4*        U   5   4.184   0.269 -10.119
   26    H3*    U   5           H3*        U   5   3.247  -1.797  -8.108
   27    H2*    U   5           H2*        U   5   4.217  -0.455  -6.447
   28   2HO*    U   5          2HO*        U   5   5.867   0.945  -6.827
   29    H1*    U   5           H1*        U   5   3.783   1.945  -7.862
   30    H3     U   5           H3         U   5   2.421   2.310  -3.504
   31    H5     U   5           H5         U   5  -0.947   1.671  -5.931
   32    H6     U   5           H6         U   5   0.542   0.952  -7.693
   33   1H5*    G   6          1H5*        G   6   7.345  -3.274  -7.918
   34   2H5*    G   6          2H5*        G   6   7.307  -4.986  -7.474
   35    H4*    G   6           H4*        G   6   7.852  -3.155  -5.694
   36    H3*    G   6           H3*        G   6   5.717  -5.227  -5.129
   37    H2*    G   6           H2*        G   6   5.555  -4.253  -2.974
   38   2HO*    G   6          2HO*        G   6   7.205  -2.838  -2.195
   39    H1*    G   6           H1*        G   6   6.369  -1.728  -3.823
   40    H8     G   6           H8         G   6   3.273  -2.293  -5.684
   41    H1     G   6           H1         G   6   2.511   0.346   0.104
   42   1H2     G   6          2H2         G   6   4.385  -0.088   1.331
   43   2H2     G   6          1H2         G   6   5.743  -0.996   0.703
   44   1H5*    G   7          1H5*        G   7   5.152  -8.173  -2.376
   45   2H5*    G   7          2H5*        G   7   4.987  -6.824  -3.535
   46    H4*    G   7           H4*        G   7   6.518  -5.888  -1.308
   47    H3*    G   7           H3*        G   7   4.186  -7.602  -0.481
   48    H2*    G   7           H2*        G   7   3.439  -5.945   1.007
   49   2HO*    G   7          2HO*        G   7   6.155  -5.356   1.097
   50    H1*    G   7           H1*        G   7   4.458  -3.762  -0.393
   51    H8     G   7           H8         G   7   2.393  -5.216  -2.942
   52    H1     G   7           H1         G   7  -1.060  -1.659   1.114
   53   1H2     G   7          2H2         G   7   0.123  -1.419   3.056
   54   2H2     G   7          1H2         G   7   1.707  -2.121   3.306
   55   1H5*   CH   8          1H5*       CH   8   3.290  -9.719   2.411
   56   2H5*   CH   8          2H5*       CH   8   3.540  -8.191   1.550
   57    H4*   CH   8           H4*       CH   8   4.457  -7.889   4.267
   58    H3*   CH   8           H3*       CH   8   1.788  -9.240   3.949
   59    H2*   CH   8           H2*       CH   8   0.748  -7.787   5.474
   60   2HO*   CH   8          2HO*       CH   8   1.927  -6.351   6.771
   61    H1*   CH   8           H1*       CH   8   1.912  -5.563   4.812
   62    HN3   CH   8           H3        CH   8  -2.212  -4.702   3.334
   63   1H4    CH   8          1H4        CH   8  -2.260  -5.276  -0.188
   64   2H4    CH   8          2H4        CH   8  -3.081  -4.583   1.168
   65    H5    CH   8           H5        CH   8  -0.088  -6.366   0.026
   66    H6    CH   8           H6        CH   8   1.615  -7.126   1.614
   67   1H5*    G   9          1H5*        G   9   1.603 -13.229   4.003
   68   2H5*    G   9          2H5*        G   9   3.359 -13.352   3.734
   69    H4*    G   9           H4*        G   9   2.937 -12.379   1.435
   70    H3*    G   9           H3*        G   9   0.444 -11.663   2.468
   71    H2*    G   9           H2*        G   9  -0.406 -13.792   2.497
   72   2HO*    G   9          2HO*        G   9  -1.529 -14.106   0.354
   73    H1*    G   9           H1*        G   9   1.008 -14.278  -0.126
   74    H8     G   9           H8         G   9   1.966 -16.848   2.170
   75    H1     G   9           H1         G   9  -3.683 -18.423  -0.330
   76   1H2     G   9          1H2         G   9  -4.613 -16.650  -1.285
   77   2H2     G   9          2H2         G   9  -3.847 -15.079  -1.292
   78   1H5*    C  10          2H5*        C  10  -1.297 -12.538  -1.076
   79   2H5*    C  10          1H5*        C  10  -1.766 -11.082  -1.995
   80    H4*    C  10           H4*        C  10  -3.601 -12.805  -1.734
   81    H3*    C  10           H3*        C  10  -3.818  -9.955  -0.897
   82    H2*    C  10           H2*        C  10  -5.805 -10.205   0.342
   83   2HO*    C  10          2HO*        C  10  -7.184 -11.918   0.098
   84    H1*    C  10           H1*        C  10  -5.366 -12.557   1.463
   85   1H4     C  10          2H4         C  10  -3.236  -9.246   6.291
   86   2H4     C  10          1H4         C  10  -1.594  -9.544   5.719
   87    H5     C  10           H5         C  10  -1.096 -10.460   3.483
   88    H6     C  10           H6         C  10  -2.061 -11.414   1.487
   89   1H5*    C  11          1H5*        C  11  -7.058  -9.827  -2.568
   90   2H5*    C  11          2H5*        C  11  -7.593  -8.480  -3.574
   91    H4*    C  11           H4*        C  11  -8.522  -8.391  -1.282
   92    H3*    C  11           H3*        C  11  -6.537  -6.175  -1.892
   93    H2*    C  11           H2*        C  11  -7.050  -5.278   0.216
   94   2HO*    C  11          2HO*        C  11  -9.010  -5.795   1.288
   95    H1*    C  11           H1*        C  11  -7.856  -7.856   1.226
   96   1H4     C  11          2H4         C  11  -3.358  -6.938   5.467
   97   2H4     C  11          1H4         C  11  -2.316  -7.904   4.424
   98    H5     C  11           H5         C  11  -2.905  -8.533   2.173
   99    H6     C  11           H6         C  11  -4.588  -8.374   0.430
  100   1H5*    G  12          1H5*        G  12  -8.431  -1.543  -2.077
  101   2H5*    G  12          2H5*        G  12  -7.169  -2.736  -1.639
  102    H4*    G  12           H4*        G  12  -9.545  -2.305   0.161
  103    H3*    G  12           H3*        G  12  -7.165  -0.439  -0.068
  104    H2*    G  12           H2*        G  12  -7.168  -0.216   2.286
  105   2HO*    G  12          2HO*        G  12  -9.858  -0.672   1.933
  106    H1*    G  12           H1*        G  12  -8.164  -2.790   2.746
  107    H8     G  12           H8         G  12  -5.197  -3.603   0.839
  108    H1     G  12           H1         G  12  -4.054  -2.972   7.063
  109   1H2     G  12          2H2         G  12  -5.731  -1.855   8.051
  110   2H2     G  12          1H2         G  12  -7.124  -1.262   7.144
  111   1H5*    A  13          2H5*        A  13 -10.200   4.095   0.887
  112   2H5*    A  13          1H5*        A  13  -8.473   4.365   1.184
  113    H4*    A  13           H4*        A  13  -9.933   5.277   2.989
  114    H3*    A  13           H3*        A  13  -7.602   3.670   3.280
  115    H2*    A  13           H2*        A  13  -8.432   1.949   4.491
  116   2HO*    A  13          2HO*        A  13  -7.600   3.627   6.092
  117    H1*    A  13           H1*        A  13 -10.818   3.368   5.552
  118    H8     A  13           H8         A  13  -9.834   0.592   6.453
  119   1H6     A  13          1H6         A  13 -13.638  -3.103   3.321
  120   2H6     A  13          2H6         A  13 -12.539  -2.995   4.678
  121    H2     A  13           H2         A  13 -13.685   0.936   1.354
  122   1H5*    C  14          1H5*        C  14  -5.066   3.593   4.065
  123   2H5*    C  14          2H5*        C  14  -6.389   2.813   4.984
  124    H4*    C  14           H4*        C  14  -4.738   2.915   6.989
  125    H3*    C  14           H3*        C  14  -2.969   3.700   4.732
  126    H2*    C  14           H2*        C  14  -1.392   1.985   5.036
  127   2HO*    C  14          2HO*        C  14  -1.145   0.913   6.968
  128    H1*    C  14           H1*        C  14  -2.918  -0.027   5.720
  129   1H4     C  14          2H4         C  14  -2.818  -1.401  -0.345
  130   2H4     C  14          1H4         C  14  -4.387  -0.670  -0.494
  131    H5     C  14           H5         C  14  -5.436   0.636   1.227
  132    H6     C  14           H6         C  14  -5.181   1.468   3.505
  133   1H5*    C  15          1H5*        C  15  -0.173   2.955   7.749
  134   2H5*    C  15          2H5*        C  15   0.694   4.426   8.171
  135    H4*    C  15           H4*        C  15   2.283   2.612   7.955
  136    H3*    C  15           H3*        C  15   2.400   4.499   5.583
  137    H2*    C  15           H2*        C  15   4.312   3.200   4.834
  138   2HO*    C  15          2HO*        C  15   5.050   1.434   6.127
  139    H1*    C  15           H1*        C  15   3.129   0.848   5.280
  140   1H4     C  15          2H4         C  15   0.379   1.209  -0.363
  141   2H4     C  15          1H4         C  15  -0.920   2.124   0.363
  142    H5     C  15           H5         C  15  -0.855   2.993   2.605
  143    H6     C  15           H6         C  15   0.462   3.105   4.649
  144   1H5*    A  16          1H5*        A  16   6.430   3.776   6.068
  145   2H5*    A  16          2H5*        A  16   7.247   5.335   5.933
  146    H4*    A  16           H4*        A  16   8.087   3.698   4.290
  147    H3*    A  16           H3*        A  16   6.594   6.066   3.127
  148    H2*    A  16           H2*        A  16   7.253   5.257   0.936
  149   2HO*    A  16          2HO*        A  16   8.714   3.462   0.762
  150    H1*    A  16           H1*        A  16   6.652   2.711   1.439
  151    H8     A  16           H8         A  16   3.904   4.582   3.169
  152   1H6     A  16          2H6         A  16   0.693   2.990  -1.861
  153   2H6     A  16          1H6         A  16   0.599   3.587  -0.193
  154    H2     A  16           H2         A  16   5.088   2.445  -2.732
  155   1H5*    C  17          2H5*        C  17  10.475   7.499   0.781
  156   2H5*    C  17          1H5*        C  17   9.523   8.843   0.097
  157    H4*    C  17           H4*        C  17  10.104   6.267  -1.032
  158    H3*    C  17           H3*        C  17   8.434   8.610  -1.987
  159    H2*    C  17           H2*        C  17   7.850   7.261  -3.869
  160   2HO*    C  17          2HO*        C  17   9.005   5.352  -4.348
  161    H1*    C  17           H1*        C  17   7.702   4.910  -2.353
  162   1H4     C  17          2H4         C  17   1.518   5.881  -2.782
  163   2H4     C  17          1H4         C  17   1.591   6.531  -1.144
  164    H5     C  17           H5         C  17   3.679   7.041   0.003
  165    H6     C  17           H6         C  17   6.154   6.969  -0.198
  166   1H5*    U  18          1H5*        U  18  10.528  10.216  -6.778
  167   2H5*    U  18          2H5*        U  18   9.447  10.987  -5.601
  168    H4*    U  18           H4*        U  18   8.772   8.601  -7.359
  169    H3*    U  18           H3*        U  18   8.421  11.396  -7.904
  170    H2*    U  18           H2*        U  18   6.106  11.437  -7.049
  171   2HO*    U  18          2HO*        U  18   6.315  10.094  -9.427
  172    H1*    U  18           H1*        U  18   6.044   8.548  -7.348
  173    H3     U  18           H3         U  18   2.054   8.396  -5.358
  174    H5     U  18           H5         U  18   4.863   9.318  -2.368
  175    H6     U  18           H6         U  18   6.428   9.906  -4.106
  176   1H5*    U  19          1H5*        U  19   9.638   6.806  -9.995
  177   2H5*    U  19          2H5*        U  19  10.312   7.560 -11.452
  178    H4*    U  19           H4*        U  19   9.735   5.063 -11.757
  179    H3*    U  19           H3*        U  19   9.269   7.093 -13.695
  180    H2*    U  19           H2*        U  19   6.949   7.154 -13.545
  181   2HO*    U  19          2HO*        U  19   7.293   6.293 -15.580
  182    H1*    U  19           H1*        U  19   6.817   4.228 -12.957
  183    H3     U  19           H3         U  19   2.358   4.526 -12.728
  184    H5     U  19           H5         U  19   3.628   7.932 -10.573
  185    H6     U  19           H6         U  19   5.876   7.339 -11.120
  186   1H5*    A  20          2H5*        A  20  11.348   1.885 -13.706
  187   2H5*    A  20          1H5*        A  20   9.758   2.653 -13.613
  188    H4*    A  20           H4*        A  20  11.524   1.750 -11.314
  189    H3*    A  20           H3*        A  20   8.920   0.838 -12.498
  190    H2*    A  20           H2*        A  20   8.023   0.268 -10.454
  191   2HO*    A  20          2HO*        A  20   9.804   0.553  -8.618
  192    H1*    A  20           H1*        A  20   9.240   2.275  -8.949
  193    H8     A  20           H8         A  20   6.579   1.458 -11.612
  194   1H6     A  20          1H6         A  20   3.093   5.762  -9.099
  195   2H6     A  20          2H6         A  20   3.159   4.413 -10.209
  196    H2     A  20           H2         A  20   7.049   6.085  -7.171
  197   1H5*    A  21          2H5*        A  21   9.523  -3.226  -9.185
  198   2H5*    A  21          1H5*        A  21   9.710  -1.459  -9.164
  199    H4*    A  21           H4*        A  21  12.003  -3.183  -8.431
  200    H3*    A  21           H3*        A  21   9.601  -3.455  -6.996
  201    H2*    A  21           H2*        A  21   9.637  -1.904  -5.379
  202   2HO*    A  21          2HO*        A  21  12.305  -1.892  -4.760
  203    H1*    A  21           H1*        A  21  11.908  -0.332  -5.855
  204    H8     A  21           H8         A  21   8.474  -1.291  -7.354
  205   1H6     A  21          2H6         A  21   6.421   4.204  -5.691
  206   2H6     A  21          1H6         A  21   6.010   2.699  -6.496
  207    H2     A  21           H2         A  21  10.549   3.946  -4.352
  208   1H5*    A  22          1H5*        A  22  15.009  -3.659  -4.446
  209   2H5*    A  22          2H5*        A  22  14.461  -4.577  -3.035
  210    H4*    A  22           H4*        A  22  15.184  -1.979  -2.942
  211    H3*    A  22           H3*        A  22  13.200  -3.541  -1.330
  212    H2*    A  22           H2*        A  22  12.215  -1.702  -0.508
  213   2HO*    A  22          2HO*        A  22  14.077  -1.257   0.742
  214    H1*    A  22           H1*        A  22  13.587   0.226  -2.278
  215    H8     A  22           H8         A  22  10.519  -1.731  -3.289
  216   1H6     A  22          2H6         A  22   7.113   3.109  -1.537
  217   2H6     A  22          1H6         A  22   7.094   1.571  -2.376
  218    H2     A  22           H2         A  22  11.351   3.799  -0.198
  219   1H5*    A  23          1H5*        A  23  15.722  -5.529   2.479
  220   2H5*    A  23          2H5*        A  23  14.443  -5.371   1.258
  221    H4*    A  23           H4*        A  23  15.702  -2.954   2.579
  222    H3*    A  23           H3*        A  23  13.853  -4.923   3.739
  223    H2*    A  23           H2*        A  23  11.974  -3.712   3.711
  224   2HO*    A  23          2HO*        A  23  13.008  -2.589   5.519
  225    H1*    A  23           H1*        A  23  13.031  -1.263   2.488
  226    H8     A  23           H8         A  23  11.545  -4.415   0.606
  227   1H6     A  23          1H6         A  23   6.618  -0.863  -0.315
  228   2H6     A  23          2H6         A  23   7.338  -2.430  -0.601
  229    H2     A  23           H2         A  23   9.633   1.551   1.963
  230   1H5*    A  24          2H5*        A  24  13.568  -1.896   7.571
  231   2H5*    A  24          1H5*        A  24  14.050  -3.241   8.626
  232    H4*    A  24           H4*        A  24  11.986  -2.345   9.456
  233    H3*    A  24           H3*        A  24  12.190  -5.058   8.430
  234    H2*    A  24           H2*        A  24  10.544  -4.869   6.835
  235   2HO*    A  24          2HO*        A  24   8.485  -5.334   7.748
  236    H1*    A  24           H1*        A  24   9.147  -2.800   8.476
  237    H8     A  24           H8         A  24   9.668  -4.132   4.842
  238   1H6     A  24          2H6         A  24   5.429  -0.034   3.196
  239   2H6     A  24          1H6         A  24   6.516  -1.290   2.647
  240    H2     A  24           H2         A  24   6.147   0.459   7.603
  241   1H5*    C  25          2H5*        C  25  12.921  -7.608   9.518
  242   2H5*    C  25          1H5*        C  25  11.462  -7.381   8.532
  243    H4*    C  25           H4*        C  25  12.121  -9.782   8.826
  244    H3*    C  25           H3*        C  25   9.500  -8.601   9.486
  245    H2*    C  25           H2*        C  25   8.743 -10.166  10.916
  246   2HO*    C  25          2HO*        C  25  10.314 -12.078   9.499
  247    H1*    C  25           H1*        C  25  11.120 -11.526  11.630
  248   1H4     C  25          2H4         C  25   9.406  -8.831  17.127
  249   2H4     C  25          1H4         C  25   8.656  -7.488  16.293
  250    H5     C  25           H5         C  25   8.656  -7.257  13.884
  251    H6     C  25           H6         C  25   9.428  -8.228  11.785
  252   1H5*    A  26          2H5*        A  26   6.184  -9.049   8.605
  253   2H5*    A  26          1H5*        A  26   5.788  -8.563   6.942
  254    H4*    A  26           H4*        A  26   7.074  -6.816   9.077
  255    H3*    A  26           H3*        A  26   4.326  -7.118   7.950
  256    H2*    A  26           H2*        A  26   4.032  -4.901   7.564
  257   2HO*    A  26          2HO*        A  26   4.315  -4.517   9.905
  258    H1*    A  26           H1*        A  26   6.834  -4.113   7.723
  259    H8     A  26           H8         A  26   7.144  -5.328   4.626
  260   1H6     A  26          2H6         A  26   3.375  -1.174   2.120
  261   2H6     A  26          1H6         A  26   4.666  -2.315   1.816
  262    H2     A  26           H2         A  26   2.364  -1.482   6.468
  263   1H5*    A  27          2H5*        A  27   1.898  -6.545  13.400
  264   2H5*    A  27          1H5*        A  27   1.403  -6.296  11.711
  265    H4*    A  27           H4*        A  27   3.519  -4.741  13.240
  266    H3*    A  27           H3*        A  27   0.690  -4.230  12.402
  267    H2*    A  27           H2*        A  27   1.101  -2.156  11.534
  268   2HO*    A  27          2HO*        A  27   2.127  -1.319  13.380
  269    H1*    A  27           H1*        A  27   3.694  -2.481  10.627
  270    H8     A  27           H8         A  27   2.215  -5.274   8.869
  271   1H6     A  27          2H6         A  27  -1.176  -1.531   5.451
  272   2H6     A  27          1H6         A  27  -0.663  -3.194   5.683
  273    H2     A  27           H2         A  27   0.662   0.919   8.632
  274   1H5*    C  28          2H5*        C  28  -2.567  -3.071  15.096
  275   2H5*    C  28          1H5*        C  28  -2.292  -3.308  13.360
  276    H4*    C  28           H4*        C  28  -2.845  -0.673  14.781
  277    H3*    C  28           H3*        C  28  -4.478  -2.648  13.339
  278    H2*    C  28           H2*        C  28  -5.141  -1.425  11.533
  279   2HO*    C  28          2HO*        C  28  -5.032   0.991  11.706
  280    H1*    C  28           H1*        C  28  -3.079   0.344  11.145
  281   1H4     C  28          2H4         C  28  -2.082  -4.353   7.005
  282   2H4     C  28          1H4         C  28  -0.647  -4.743   7.970
  283    H5     C  28           H5         C  28  -0.237  -3.800  10.216
  284    H6     C  28           H6         C  28  -1.077  -2.099  11.854
  285   1H5*    G  29          1H5*        G  29  -7.072  -0.371  13.632
  286   2H5*    G  29          2H5*        G  29  -8.774  -0.663  14.042
  287    H4*    G  29           H4*        G  29  -8.408  -0.506  11.620
  288    H3*    G  29           H3*        G  29  -8.978  -3.331  12.566
  289    H2*    G  29           H2*        G  29  -8.924  -4.028  10.342
  290   2HO*    G  29          2HO*        G  29  -9.336  -2.575   8.618
  291    H1*    G  29           H1*        G  29  -7.292  -1.786   9.535
  292    H8     G  29           H8         G  29  -4.959  -3.656  11.442
  293    H1     G  29           H1         G  29  -5.548  -5.822   5.455
  294   1H2     G  29          2H2         G  29  -7.518  -5.163   4.626
  295   2H2     G  29          1H2         G  29  -8.662  -4.204   5.542
  296   1H5*    G  30          1H5*        G  30 -12.573  -5.585  12.248
  297   2H5*    G  30          2H5*        G  30 -11.003  -6.303  12.667
  298    H4*    G  30           H4*        G  30 -12.303  -5.935   9.953
  299    H3*    G  30           H3*        G  30 -11.355  -8.330  11.538
  300    H2*    G  30           H2*        G  30 -10.863  -9.449   9.511
  301   2HO*    G  30          2HO*        G  30 -12.987  -7.978   8.665
  302    H1*    G  30           H1*        G  30 -10.310  -7.110   8.078
  303    H8     G  30           H8         G  30  -8.009  -7.058  10.973
  304    H1     G  30           H1         G  30  -5.581  -9.512   5.575
  305   1H2     G  30          2H2         G  30  -7.266 -10.076   4.222
  306   2H2     G  30          1H2         G  30  -8.949  -9.853   4.651
  307    H3T    G  30           H3T        G  30 -13.635  -7.860   9.876
  Start of MODEL    2
    1   1H5*    A   3          1H5*        A   3  -6.208   3.095  -7.060
    2   2H5*    A   3          2H5*        A   3  -7.667   3.969  -7.624
    3    H4*    A   3           H4*        A   3  -6.585   4.301  -9.824
    4    H3*    A   3           H3*        A   3  -4.326   2.823  -8.485
    5    H2*    A   3           H2*        A   3  -2.678   4.318  -9.233
    6   2HO*    A   3          2HO*        A   3  -2.917   5.616 -10.975
    7    H1*    A   3           H1*        A   3  -4.150   6.656  -8.923
    8    H8     A   3           H8         A   3  -5.065   5.231  -5.816
    9   1H6     A   3          2H6         A   3   0.218   7.534  -3.606
   10   2H6     A   3          1H6         A   3  -1.401   6.928  -3.206
   11    H2     A   3           H2         A   3   0.567   7.256  -8.082
   12   1H5*    G   4          1H5*        G   4  -2.789   1.825 -12.095
   13   2H5*    G   4          2H5*        G   4  -2.533   0.080 -12.253
   14    H4*    G   4           H4*        G   4  -0.440   1.338 -12.298
   15    H3*    G   4           H3*        G   4  -0.877  -0.282  -9.774
   16    H2*    G   4           H2*        G   4   1.310   0.351  -9.055
   17   2HO*    G   4          2HO*        G   4   1.665   0.709 -11.764
   18    H1*    G   4           H1*        G   4   1.183   2.903  -9.984
   19    H8     G   4           H8         G   4  -2.062   2.446  -8.200
   20    H1     G   4           H1         G   4   2.754   4.811  -4.689
   21   1H2     G   4          2H2         G   4   4.683   4.368  -5.724
   22   2H2     G   4          1H2         G   4   4.775   3.508  -7.246
   23   1H5*    U   5          1H5*        U   5   2.693  -0.679 -10.847
   24   2H5*    U   5          2H5*        U   5   3.546  -2.207 -10.759
   25    H4*    U   5           H4*        U   5   4.671  -0.430  -9.478
   26    H3*    U   5           H3*        U   5   3.487  -2.543  -7.651
   27    H2*    U   5           H2*        U   5   4.852  -1.498  -5.974
   28   2HO*    U   5          2HO*        U   5   6.428   0.039  -6.571
   29    H1*    U   5           H1*        U   5   4.511   1.018  -7.167
   30    H3     U   5           H3         U   5   2.990   1.934  -2.967
   31    H5     U   5           H5         U   5  -0.309   0.733  -5.276
   32    H6     U   5           H6         U   5   1.231  -0.142  -6.911
   33   1H5*    G   6          1H5*        G   6   7.138  -2.753  -7.013
   34   2H5*    G   6          2H5*        G   6   7.962  -4.154  -6.333
   35    H4*    G   6           H4*        G   6   7.822  -2.194  -4.869
   36    H3*    G   6           H3*        G   6   6.226  -4.595  -3.962
   37    H2*    G   6           H2*        G   6   5.595  -3.448  -2.018
   38   2HO*    G   6          2HO*        G   6   6.767  -1.690  -1.225
   39    H1*    G   6           H1*        G   6   6.039  -0.931  -3.255
   40    H8     G   6           H8         G   6   2.983  -1.996  -4.925
   41    H1     G   6           H1         G   6   2.069   0.581   0.846
   42   1H2     G   6          2H2         G   6   4.038   0.415   1.986
   43   2H2     G   6          1H2         G   6   5.475  -0.305   1.297
   44   1H5*    G   7          1H5*        G   7   6.270  -7.352  -1.107
   45   2H5*    G   7          2H5*        G   7   6.120  -6.168  -2.430
   46    H4*    G   7           H4*        G   7   6.604  -4.725  -0.014
   47    H3*    G   7           H3*        G   7   4.531  -6.918   0.176
   48    H2*    G   7           H2*        G   7   2.942  -5.369   0.973
   49   2HO*    G   7          2HO*        G   7   5.183  -4.287   2.218
   50    H1*    G   7           H1*        G   7   4.299  -3.150   0.073
   51    H8     G   7           H8         G   7   2.490  -4.392  -2.841
   52    H1     G   7           H1         G   7  -1.064  -1.531   1.691
   53   1H2     G   7          2H2         G   7   0.189  -1.625   3.636
   54   2H2     G   7          1H2         G   7   1.772  -2.359   3.705
   55   1H5*   CH   8          1H5*       CH   8   3.904  -7.286   5.707
   56   2H5*   CH   8          2H5*       CH   8   5.001  -8.678   5.913
   57    H4*   CH   8           H4*       CH   8   3.548  -9.934   4.780
   58    H3*   CH   8           H3*       CH   8   4.993  -8.460   2.779
   59    H2*   CH   8           H2*       CH   8   3.315  -7.291   1.970
   60   2HO*   CH   8          2HO*       CH   8   3.514  -9.554   0.737
   61    H1*   CH   8           H1*       CH   8   1.625  -9.250   2.620
   62    HN3   CH   8           H3        CH   8  -1.977  -5.652   3.250
   63   1H4    CH   8          1H4        CH   8  -3.305  -5.378   1.475
   64   2H4    CH   8          2H4        CH   8  -2.957  -6.066  -0.070
   65    H5    CH   8           H5        CH   8  -0.993  -7.283  -0.485
   66    H6    CH   8           H6        CH   8   1.072  -8.131   0.390
   67   1H5*    G   9          1H5*        G   9   2.137 -13.401   1.055
   68   2H5*    G   9          2H5*        G   9   3.198 -12.669  -0.176
   69    H4*    G   9           H4*        G   9   1.187 -11.795  -1.316
   70    H3*    G   9           H3*        G   9  -0.053 -12.186   1.227
   71    H2*    G   9           H2*        G   9  -0.695 -14.304   0.936
   72   2HO*    G   9          2HO*        G   9  -2.717 -14.460  -0.286
   73    H1*    G   9           H1*        G   9  -0.885 -13.960  -2.045
   74    H8     G   9           H8         G   9  -2.019 -16.258  -2.504
   75    H1     G   9           H1         G   9   2.051 -19.421   1.247
   76   1H2     G   9          1H2         G   9   3.374 -17.993   2.307
   77   2H2     G   9          2H2         G   9   3.252 -16.261   2.094
   78   1H5*    C  10          1H5*        C  10  -3.542 -10.522   0.073
   79   2H5*    C  10          2H5*        C  10  -3.036 -12.232   0.217
   80    H4*    C  10           H4*        C  10  -5.311 -12.746  -0.969
   81    H3*    C  10           H3*        C  10  -5.617  -9.874  -0.275
   82    H2*    C  10           H2*        C  10  -7.463 -10.090   1.147
   83   2HO*    C  10          2HO*        C  10  -7.843 -12.520  -0.258
   84    H1*    C  10           H1*        C  10  -6.929 -12.384   2.346
   85   1H4     C  10          2H4         C  10  -4.496  -8.750   6.792
   86   2H4     C  10          1H4         C  10  -2.894  -9.113   6.151
   87    H5     C  10           H5         C  10  -2.538 -10.179   3.958
   88    H6     C  10           H6         C  10  -3.613 -11.305   2.129
   89   1H5*    C  11          1H5*        C  11  -9.062  -9.902  -2.192
   90   2H5*    C  11          2H5*        C  11  -9.432  -8.506  -3.205
   91    H4*    C  11           H4*        C  11 -10.534  -8.521  -0.929
   92    H3*    C  11           H3*        C  11  -8.659  -6.224  -1.573
   93    H2*    C  11           H2*        C  11  -9.252  -5.266   0.496
   94   2HO*    C  11          2HO*        C  11 -11.652  -6.419  -0.104
   95    H1*    C  11           H1*        C  11  -9.870  -7.809   1.655
   96   1H4     C  11          2H4         C  11  -5.269  -6.685   5.679
   97   2H4     C  11          1H4         C  11  -4.198  -7.554   4.582
   98    H5     C  11           H5         C  11  -4.824  -8.208   2.350
   99    H6     C  11           H6         C  11  -6.582  -8.130   0.662
  100   1H5*    G  12          1H5*        G  12  -9.954  -1.785  -1.940
  101   2H5*    G  12          2H5*        G  12  -8.814  -3.166  -1.874
  102    H4*    G  12           H4*        G  12 -10.546  -2.702   0.504
  103    H3*    G  12           H3*        G  12  -8.330  -0.770  -0.259
  104    H2*    G  12           H2*        G  12  -7.724  -0.678   2.011
  105   2HO*    G  12          2HO*        G  12 -10.423  -0.977   2.340
  106    H1*    G  12           H1*        G  12  -8.772  -3.249   2.587
  107    H8     G  12           H8         G  12  -6.092  -4.262   0.399
  108    H1     G  12           H1         G  12  -4.086  -3.368   6.365
  109   1H2     G  12          2H2         G  12  -5.649  -2.123   7.459
  110   2H2     G  12          1H2         G  12  -7.099  -1.519   6.694
  111   1H5*    A  13          2H5*        A  13  -8.605   3.276   1.898
  112   2H5*    A  13          1H5*        A  13  -8.403   4.058   0.316
  113    H4*    A  13           H4*        A  13  -7.029   1.460   1.035
  114    H3*    A  13           H3*        A  13  -6.311   4.274   1.729
  115    H2*    A  13           H2*        A  13  -4.240   4.220   0.834
  116   2HO*    A  13          2HO*        A  13  -3.849   2.296   2.286
  117    H1*    A  13           H1*        A  13  -4.548   2.021  -0.975
  118    H8     A  13           H8         A  13  -2.698   4.249  -1.409
  119   1H6     A  13          1H6         A  13  -5.805   8.198  -4.974
  120   2H6     A  13          2H6         A  13  -4.220   7.722  -4.407
  121    H2     A  13           H2         A  13  -8.764   5.384  -3.103
  122   1H5*    C  14          2H5*        C  14  -6.264   2.371   6.802
  123   2H5*    C  14          1H5*        C  14  -5.297   3.862   7.087
  124    H4*    C  14           H4*        C  14  -4.440   1.978   8.399
  125    H3*    C  14           H3*        C  14  -2.731   3.153   6.258
  126    H2*    C  14           H2*        C  14  -1.243   1.351   6.086
  127   2HO*    C  14          2HO*        C  14  -0.892  -0.128   7.692
  128    H1*    C  14           H1*        C  14  -2.891  -0.692   6.617
  129   1H4     C  14          2H4         C  14  -2.836  -1.028   0.347
  130   2H4     C  14          1H4         C  14  -4.407  -0.279   0.360
  131    H5     C  14           H5         C  14  -5.412   0.713   2.329
  132    H6     C  14           H6         C  14  -5.079   1.166   4.708
  133   1H5*    C  15          1H5*        C  15   0.161   2.941   9.193
  134   2H5*    C  15          2H5*        C  15   1.175   4.336   9.532
  135    H4*    C  15           H4*        C  15   2.457   2.421   8.605
  136    H3*    C  15           H3*        C  15   2.308   4.802   6.712
  137    H2*    C  15           H2*        C  15   3.739   3.570   5.258
  138   2HO*    C  15          2HO*        C  15   4.898   1.704   6.035
  139    H1*    C  15           H1*        C  15   2.691   1.106   6.039
  140   1H4     C  15          2H4         C  15  -0.188   1.141   0.470
  141   2H4     C  15          1H4         C  15  -1.564   1.872   1.259
  142    H5     C  15           H5         C  15  -1.503   2.784   3.507
  143    H6     C  15           H6         C  15  -0.078   3.114   5.470
  144   1H5*    A  16          2H5*        A  16   6.941   6.653   6.009
  145   2H5*    A  16          1H5*        A  16   5.671   6.728   4.776
  146    H4*    A  16           H4*        A  16   8.144   4.984   4.884
  147    H3*    A  16           H3*        A  16   6.952   7.002   3.007
  148    H2*    A  16           H2*        A  16   7.545   5.823   1.064
  149   2HO*    A  16          2HO*        A  16   9.105   4.122   1.093
  150    H1*    A  16           H1*        A  16   7.060   3.340   1.884
  151    H8     A  16           H8         A  16   4.190   5.255   3.342
  152   1H6     A  16          2H6         A  16   1.191   2.732  -1.455
  153   2H6     A  16          1H6         A  16   1.018   3.557   0.104
  154    H2     A  16           H2         A  16   5.612   2.362  -2.181
  155   1H5*    C  17          1H5*        C  17   9.040   9.241  -0.156
  156   2H5*    C  17          2H5*        C  17   7.729   8.202   0.479
  157    H4*    C  17           H4*        C  17   9.779   6.780  -1.108
  158    H3*    C  17           H3*        C  17   7.923   8.811  -2.389
  159    H2*    C  17           H2*        C  17   7.622   7.277  -4.209
  160   2HO*    C  17          2HO*        C  17   8.941   5.394  -4.377
  161    H1*    C  17           H1*        C  17   7.482   5.045  -2.549
  162   1H4     C  17          2H4         C  17   1.281   5.692  -2.936
  163   2H4     C  17          1H4         C  17   1.348   6.557  -1.402
  164    H5     C  17           H5         C  17   3.414   7.319  -0.381
  165    H6     C  17           H6         C  17   5.903   7.326  -0.620
  166   1H5*    U  18          1H5*        U  18  10.019   9.759  -7.327
  167   2H5*    U  18          2H5*        U  18   8.931  10.734  -6.318
  168    H4*    U  18           H4*        U  18   8.272   8.106  -7.721
  169    H3*    U  18           H3*        U  18   7.800  10.800  -8.553
  170    H2*    U  18           H2*        U  18   5.488  10.822  -7.718
  171   2HO*    U  18          2HO*        U  18   4.464   8.726  -8.822
  172    H1*    U  18           H1*        U  18   5.584   7.946  -7.601
  173    H3     U  18           H3         U  18   1.620   7.905  -5.619
  174    H5     U  18           H5         U  18   4.359   9.347  -2.768
  175    H6     U  18           H6         U  18   5.921   9.747  -4.594
  176   1H5*    U  19          1H5*        U  19   8.491   5.966 -10.082
  177   2H5*    U  19          2H5*        U  19   9.711   5.886 -11.371
  178    H4*    U  19           H4*        U  19   7.737   4.379 -11.901
  179    H3*    U  19           H3*        U  19   8.760   6.439 -13.666
  180    H2*    U  19           H2*        U  19   6.818   7.666 -13.783
  181   2HO*    U  19          2HO*        U  19   6.210   5.379 -15.382
  182    H1*    U  19           H1*        U  19   5.260   5.155 -13.417
  183    H3     U  19           H3         U  19   1.488   7.611 -13.986
  184    H5     U  19           H5         U  19   3.394   9.380 -10.662
  185    H6     U  19           H6         U  19   5.343   8.061 -11.181
  186   1H5*    A  20          1H5*        A  20  11.083   2.207 -13.099
  187   2H5*    A  20          2H5*        A  20  10.105   0.791 -13.521
  188    H4*    A  20           H4*        A  20  11.114   1.148 -11.093
  189    H3*    A  20           H3*        A  20   8.758  -0.242 -12.120
  190    H2*    A  20           H2*        A  20   7.263   0.134 -10.503
  191   2HO*    A  20          2HO*        A  20   7.682  -0.421  -8.463
  192    H1*    A  20           H1*        A  20   8.579   2.054  -8.819
  193    H8     A  20           H8         A  20   6.472   1.511 -12.027
  194   1H6     A  20          1H6         A  20   2.907   6.048  -9.985
  195   2H6     A  20          2H6         A  20   3.107   4.809 -11.203
  196    H2     A  20           H2         A  20   6.410   5.829  -7.258
  197   1H5*    A  21          1H5*        A  21  11.037  -3.658  -8.776
  198   2H5*    A  21          2H5*        A  21   9.702  -3.815  -7.640
  199    H4*    A  21           H4*        A  21  12.314  -3.681  -6.983
  200    H3*    A  21           H3*        A  21   9.901  -3.579  -5.461
  201    H2*    A  21           H2*        A  21   9.971  -1.700  -4.293
  202   2HO*    A  21          2HO*        A  21  12.418  -1.247  -3.529
  203    H1*    A  21           H1*        A  21  12.215  -0.271  -5.189
  204    H8     A  21           H8         A  21   8.996  -1.472  -6.956
  205   1H6     A  21          1H6         A  21   6.499   3.996  -5.815
  206   2H6     A  21          2H6         A  21   6.235   2.401  -6.502
  207    H2     A  21           H2         A  21  10.558   4.024  -4.079
  208   1H5*    A  22          1H5*        A  22  15.370  -2.586  -4.121
  209   2H5*    A  22          2H5*        A  22  15.561  -3.424  -2.570
  210    H4*    A  22           H4*        A  22  15.812  -0.852  -2.619
  211    H3*    A  22           H3*        A  22  14.157  -2.428  -0.678
  212    H2*    A  22           H2*        A  22  13.169  -0.592   0.166
  213   2HO*    A  22          2HO*        A  22  15.318   0.051   0.941
  214    H1*    A  22           H1*        A  22  14.066   1.263  -1.939
  215    H8     A  22           H8         A  22  11.154  -1.153  -2.284
  216   1H6     A  22          1H6         A  22   7.440   3.578  -1.141
  217   2H6     A  22          2H6         A  22   7.547   1.954  -1.778
  218    H2     A  22           H2         A  22  11.638   4.854  -0.161
  219   1H5*    A  23          2H5*        A  23  16.472  -3.633   3.453
  220   2H5*    A  23          1H5*        A  23  15.231  -3.762   2.192
  221    H4*    A  23           H4*        A  23  16.253  -1.073   3.130
  222    H3*    A  23           H3*        A  23  14.613  -2.987   4.630
  223    H2*    A  23           H2*        A  23  12.610  -2.003   4.418
  224   2HO*    A  23          2HO*        A  23  13.427  -0.556   6.033
  225    H1*    A  23           H1*        A  23  13.433   0.332   2.860
  226    H8     A  23           H8         A  23  12.225  -3.159   1.412
  227   1H6     A  23          2H6         A  23   7.032  -0.223   0.015
  228   2H6     A  23          1H6         A  23   7.888  -1.747  -0.028
  229    H2     A  23           H2         A  23   9.772   2.742   1.994
  230   1H5*    A  24          2H5*        A  24  13.806  -3.736   7.997
  231   2H5*    A  24          1H5*        A  24  13.124  -3.472   6.381
  232    H4*    A  24           H4*        A  24  11.917  -2.252   8.886
  233    H3*    A  24           H3*        A  24  11.909  -5.047   8.056
  234    H2*    A  24           H2*        A  24  10.425  -4.700   6.294
  235   2HO*    A  24          2HO*        A  24   8.583  -4.598   8.476
  236    H1*    A  24           H1*        A  24   9.142  -2.605   8.002
  237    H8     A  24           H8         A  24   9.462  -3.852   4.350
  238   1H6     A  24          1H6         A  24   4.982   0.222   3.140
  239   2H6     A  24          2H6         A  24   5.992  -1.040   2.460
  240    H2     A  24           H2         A  24   6.116   0.655   7.441
  241   1H5*    C  25          2H5*        C  25  12.547  -8.185  10.474
  242   2H5*    C  25          1H5*        C  25  12.900  -6.842   9.371
  243    H4*    C  25           H4*        C  25  10.884  -7.481   8.029
  244    H3*    C  25           H3*        C  25  10.640  -9.439  10.238
  245    H2*    C  25           H2*        C  25  10.751 -11.304   9.002
  246   2HO*    C  25          2HO*        C  25   8.713 -10.095   7.893
  247    H1*    C  25           H1*        C  25  11.471 -10.134   6.434
  248   1H4     C  25          2H4         C  25  16.396 -14.082   8.389
  249   2H4     C  25          1H4         C  25  15.159 -15.256   8.000
  250    H5     C  25           H5         C  25  12.886 -14.657   7.488
  251    H6     C  25           H6         C  25  11.332 -12.806   7.120
  252   1H5*    A  26          2H5*        A  26   7.721  -6.294   9.137
  253   2H5*    A  26          1H5*        A  26   9.397  -5.910   9.561
  254    H4*    A  26           H4*        A  26   8.553  -4.464  11.418
  255    H3*    A  26           H3*        A  26   5.986  -5.581  10.446
  256    H2*    A  26           H2*        A  26   4.856  -3.610  10.223
  257   2HO*    A  26          2HO*        A  26   5.343  -2.879  12.354
  258    H1*    A  26           H1*        A  26   6.874  -1.905   9.444
  259    H8     A  26           H8         A  26   7.274  -5.063   7.367
  260   1H6     A  26          1H6         A  26   2.415  -3.679   4.086
  261   2H6     A  26          2H6         A  26   3.708  -4.825   4.385
  262    H2     A  26           H2         A  26   2.298  -1.021   7.625
  263   1H5*    A  27          2H5*        A  27   3.131  -7.248  13.956
  264   2H5*    A  27          1H5*        A  27   3.867  -7.278  12.340
  265    H4*    A  27           H4*        A  27   3.534  -4.647  13.761
  266    H3*    A  27           H3*        A  27   1.359  -6.302  12.479
  267    H2*    A  27           H2*        A  27   0.556  -4.526  11.367
  268   2HO*    A  27          2HO*        A  27   0.704  -2.394  12.166
  269    H1*    A  27           H1*        A  27   2.925  -2.913  11.447
  270    H8     A  27           H8         A  27   3.420  -5.690   8.921
  271   1H6     A  27          1H6         A  27  -0.362  -2.708   5.113
  272   2H6     A  27          2H6         A  27   0.852  -3.972   5.282
  273    H2     A  27           H2         A  27  -0.952  -1.035   9.231
  274   1H5*    C  28          1H5*        C  28  -3.158  -4.637  14.318
  275   2H5*    C  28          2H5*        C  28  -2.620  -4.657  12.630
  276    H4*    C  28           H4*        C  28  -3.111  -2.162  14.314
  277    H3*    C  28           H3*        C  28  -4.809  -3.809  12.555
  278    H2*    C  28           H2*        C  28  -5.282  -2.294  10.912
  279   2HO*    C  28          2HO*        C  28  -5.132  -0.022  11.278
  280    H1*    C  28           H1*        C  28  -3.016  -0.790  10.774
  281   1H4     C  28          2H4         C  28  -2.357  -5.064   6.183
  282   2H4     C  28          1H4         C  28  -0.887  -5.554   7.046
  283    H5     C  28           H5         C  28  -0.435  -4.920   9.425
  284    H6     C  28           H6         C  28  -1.157  -3.158  11.164
  285   1H5*    G  29          1H5*        G  29  -7.548  -1.296  13.884
  286   2H5*    G  29          2H5*        G  29  -8.847  -1.574  15.053
  287    H4*    G  29           H4*        G  29  -9.939  -1.001  13.043
  288    H3*    G  29           H3*        G  29  -9.707  -4.017  13.111
  289    H2*    G  29           H2*        G  29 -10.847  -4.129  11.021
  290   2HO*    G  29          2HO*        G  29 -11.812  -2.285  10.102
  291    H1*    G  29           H1*        G  29  -9.464  -1.972   9.926
  292    H8     G  29           H8         G  29  -6.858  -3.641  11.765
  293    H1     G  29           H1         G  29  -7.534  -5.730   5.767
  294   1H2     G  29          2H2         G  29  -9.574  -5.206   5.026
  295   2H2     G  29          1H2         G  29 -10.751  -4.353   6.002
  296   1H5*    G  30          1H5*        G  30 -13.168  -4.075  12.335
  297   2H5*    G  30          2H5*        G  30 -14.172  -5.428  12.888
  298    H4*    G  30           H4*        G  30 -13.444  -5.403  10.451
  299    H3*    G  30           H3*        G  30 -12.611  -7.776  12.146
  300    H2*    G  30           H2*        G  30 -11.795  -8.755  10.165
  301   2HO*    G  30          2HO*        G  30 -12.499  -7.980   8.098
  302    H1*    G  30           H1*        G  30 -11.410  -6.226   8.921
  303    H8     G  30           H8         G  30  -8.947  -6.155  11.577
  304    H1     G  30           H1         G  30  -6.885  -9.033   6.235
  305   1H2     G  30          2H2         G  30  -8.652  -9.665   5.027
  306   2H2     G  30          1H2         G  30 -10.304  -9.382   5.532
  307    H3T    G  30           H3T        G  30 -14.682  -7.523  10.207
  Start of MODEL    3
    1   1H5*    A   3          1H5*        A   3  -6.654   4.193  -6.626
    2   2H5*    A   3          2H5*        A   3  -7.949   5.264  -7.255
    3    H4*    A   3           H4*        A   3  -6.770   5.368  -9.424
    4    H3*    A   3           H3*        A   3  -4.747   3.656  -7.974
    5    H2*    A   3           H2*        A   3  -2.920   4.903  -8.800
    6   2HO*    A   3          2HO*        A   3  -4.814   5.752 -10.711
    7    H1*    A   3           H1*        A   3  -4.069   7.393  -8.455
    8    H8     A   3           H8         A   3  -5.226   6.103  -5.365
    9   1H6     A   3          2H6         A   3   0.370   7.534  -3.136
   10   2H6     A   3          1H6         A   3  -1.321   7.191  -2.721
   11    H2     A   3           H2         A   3   0.658   7.225  -7.605
   12   1H5*    G   4          1H5*        G   4  -3.102   2.825 -11.607
   13   2H5*    G   4          2H5*        G   4  -3.050   1.088 -11.943
   14    H4*    G   4           H4*        G   4  -0.845   2.118 -12.095
   15    H3*    G   4           H3*        G   4  -1.207   0.351  -9.657
   16    H2*    G   4           H2*        G   4   1.099   0.710  -9.134
   17   2HO*    G   4          2HO*        G   4   1.199   1.266 -11.831
   18    H1*    G   4           H1*        G   4   1.139   3.331  -9.838
   19    H8     G   4           H8         G   4  -1.988   3.022  -7.837
   20    H1     G   4           H1         G   4   3.251   4.652  -4.525
   21   1H2     G   4          2H2         G   4   5.056   4.135  -5.727
   22   2H2     G   4          1H2         G   4   4.969   3.400  -7.309
   23   1H5*    U   5          1H5*        U   5   2.227  -0.338 -11.001
   24   2H5*    U   5          2H5*        U   5   2.933  -1.941 -10.941
   25    H4*    U   5           H4*        U   5   4.197  -0.261  -9.621
   26    H3*    U   5           H3*        U   5   2.892  -2.369  -7.866
   27    H2*    U   5           H2*        U   5   4.282  -1.458  -6.145
   28   2HO*    U   5          2HO*        U   5   5.878  -0.861  -8.291
   29    H1*    U   5           H1*        U   5   4.174   1.099  -7.315
   30    H3     U   5           H3         U   5   2.855   2.052  -3.049
   31    H5     U   5           H5         U   5  -0.600   1.289  -5.312
   32    H6     U   5           H6         U   5   0.804   0.287  -6.995
   33   1H5*    G   6          1H5*        G   6   6.627  -3.016  -7.525
   34   2H5*    G   6          2H5*        G   6   7.394  -4.484  -6.927
   35    H4*    G   6           H4*        G   6   7.438  -2.536  -5.415
   36    H3*    G   6           H3*        G   6   5.729  -4.824  -4.402
   37    H2*    G   6           H2*        G   6   5.471  -3.640  -2.374
   38   2HO*    G   6          2HO*        G   6   6.835  -1.922  -1.845
   39    H1*    G   6           H1*        G   6   5.825  -1.184  -3.694
   40    H8     G   6           H8         G   6   2.583  -2.290  -5.022
   41    H1     G   6           H1         G   6   2.317   0.440   0.743
   42   1H2     G   6          2H2         G   6   4.406   0.312   1.670
   43   2H2     G   6          1H2         G   6   5.762  -0.424   0.850
   44   1H5*    G   7          1H5*        G   7   5.812  -7.735  -1.696
   45   2H5*    G   7          2H5*        G   7   5.714  -6.532  -3.017
   46    H4*    G   7           H4*        G   7   6.196  -5.128  -0.577
   47    H3*    G   7           H3*        G   7   3.913  -7.131  -0.469
   48    H2*    G   7           H2*        G   7   2.507  -5.489   0.405
   49   2HO*    G   7          2HO*        G   7   3.167  -3.828   1.654
   50    H1*    G   7           H1*        G   7   4.011  -3.401  -0.566
   51    H8     G   7           H8         G   7   2.179  -4.595  -3.473
   52    H1     G   7           H1         G   7  -1.345  -1.627   1.009
   53   1H2     G   7          2H2         G   7  -0.138  -1.753   2.960
   54   2H2     G   7          1H2         G   7   1.414  -2.536   3.059
   55   1H5*   CH   8          1H5*       CH   8   5.589  -8.595   4.207
   56   2H5*   CH   8          2H5*       CH   8   4.392  -8.101   5.444
   57    H4*   CH   8           H4*       CH   8   3.611 -10.014   4.110
   58    H3*   CH   8           H3*       CH   8   4.627  -8.446   1.891
   59    H2*   CH   8           H2*       CH   8   2.743  -7.424   1.409
   60   2HO*   CH   8          2HO*       CH   8   2.542  -9.687   0.181
   61    H1*   CH   8           H1*       CH   8   1.325  -9.343   2.415
   62    HN3   CH   8           H3        CH   8  -2.040  -5.555   3.602
   63   1H4    CH   8          1H4        CH   8  -3.588  -6.095   0.501
   64   2H4    CH   8          2H4        CH   8  -3.706  -5.293   2.054
   65    H5    CH   8           H5        CH   8  -1.835  -7.321  -0.189
   66    H6    CH   8           H6        CH   8   0.306  -8.260   0.312
   67   1H5*    G   9          1H5*        G   9   3.588 -11.930  -2.078
   68   2H5*    G   9          2H5*        G   9   2.181 -10.851  -2.260
   69    H4*    G   9           H4*        G   9   1.925 -13.414  -2.683
   70    H3*    G   9           H3*        G   9   0.101 -11.640  -1.096
   71    H2*    G   9           H2*        G   9  -1.142 -13.436  -0.154
   72   2HO*    G   9          2HO*        G   9  -0.850 -15.562  -0.973
   73    H1*    G   9           H1*        G   9   0.823 -15.086   0.484
   74    H8     G   9           H8         G   9   2.926 -12.562   1.503
   75    H1     G   9           H1         G   9  -2.550 -11.848   4.675
   76   1H2     G   9          1H2         G   9  -4.171 -12.961   3.650
   77   2H2     G   9          2H2         G   9  -3.903 -13.872   2.180
   78   1H5*    C  10          1H5*        C  10  -3.150 -10.549  -1.419
   79   2H5*    C  10          2H5*        C  10  -2.625 -12.232  -1.249
   80    H4*    C  10           H4*        C  10  -4.916 -12.775  -2.460
   81    H3*    C  10           H3*        C  10  -5.242  -9.911  -1.672
   82    H2*    C  10           H2*        C  10  -7.140 -10.221  -0.308
   83   2HO*    C  10          2HO*        C  10  -8.477 -11.956  -0.468
   84    H1*    C  10           H1*        C  10  -6.571 -12.475   0.876
   85   1H4     C  10          2H4         C  10  -4.160  -8.966   5.403
   86   2H4     C  10          1H4         C  10  -2.557  -9.273   4.735
   87    H5     C  10           H5         C  10  -2.197 -10.291   2.505
   88    H6     C  10           H6         C  10  -3.279 -11.319   0.645
   89   1H5*    C  11          1H5*        C  11  -8.851  -9.671  -3.158
   90   2H5*    C  11          2H5*        C  11  -9.137  -8.320  -4.247
   91    H4*    C  11           H4*        C  11 -10.266  -8.088  -2.024
   92    H3*    C  11           H3*        C  11  -8.104  -6.017  -2.587
   93    H2*    C  11           H2*        C  11  -8.657  -5.019  -0.535
   94   2HO*    C  11          2HO*        C  11 -11.138  -5.944  -1.181
   95    H1*    C  11           H1*        C  11  -9.529  -7.473   0.620
   96   1H4     C  11          2H4         C  11  -4.753  -6.852   4.544
   97   2H4     C  11          1H4         C  11  -3.804  -7.847   3.446
   98    H5     C  11           H5         C  11  -4.543  -8.455   1.229
   99    H6     C  11           H6         C  11  -6.311  -8.186  -0.430
  100   1H5*    G  12          1H5*        G  12 -11.358  -4.136  -0.981
  101   2H5*    G  12          2H5*        G  12 -11.612  -2.456  -1.474
  102    H4*    G  12           H4*        G  12 -11.274  -2.965   1.016
  103    H3*    G  12           H3*        G  12  -9.341  -1.005  -0.282
  104    H2*    G  12           H2*        G  12  -8.364  -0.734   1.822
  105   2HO*    G  12          2HO*        G  12  -9.542  -1.210   3.757
  106    H1*    G  12           H1*        G  12  -9.356  -3.253   2.764
  107    H8     G  12           H8         G  12  -6.836  -4.342   0.497
  108    H1     G  12           H1         G  12  -4.396  -2.971   6.191
  109   1H2     G  12          2H2         G  12  -5.826  -1.628   7.296
  110   2H2     G  12          1H2         G  12  -7.345  -1.087   6.616
  111   1H5*    A  13          2H5*        A  13  -8.638   1.014   3.133
  112   2H5*    A  13          1H5*        A  13 -10.391   1.270   3.184
  113    H4*    A  13           H4*        A  13  -8.448   3.528   2.570
  114    H3*    A  13           H3*        A  13  -8.426   2.182   4.986
  115    H2*    A  13           H2*        A  13 -10.513   2.543   5.785
  116   2HO*    A  13          2HO*        A  13 -10.706   4.707   6.752
  117    H1*    A  13           H1*        A  13 -11.083   5.143   4.578
  118    H8     A  13           H8         A  13 -12.459   2.064   2.895
  119   1H6     A  13          2H6         A  13 -17.390   2.645   6.554
  120   2H6     A  13          1H6         A  13 -16.724   1.797   5.176
  121    H2     A  13           H2         A  13 -14.241   5.507   7.985
  122   1H5*    C  14          1H5*        C  14  -4.936   3.241   4.661
  123   2H5*    C  14          2H5*        C  14  -6.223   2.331   5.577
  124    H4*    C  14           H4*        C  14  -4.415   2.385   7.510
  125    H3*    C  14           H3*        C  14  -2.810   2.712   5.026
  126    H2*    C  14           H2*        C  14  -1.407   0.928   5.293
  127   2HO*    C  14          2HO*        C  14  -1.150  -0.166   7.122
  128    H1*    C  14           H1*        C  14  -3.278  -0.752   5.914
  129   1H4     C  14          2H4         C  14  -3.066  -1.035  -0.382
  130   2H4     C  14          1H4         C  14  -4.608  -0.231  -0.399
  131    H5     C  14           H5         C  14  -5.613   0.799   1.534
  132    H6     C  14           H6         C  14  -5.323   1.208   3.912
  133   1H5*    C  15          1H5*        C  15   1.407   2.786   9.461
  134   2H5*    C  15          2H5*        C  15   1.891   4.466   9.274
  135    H4*    C  15           H4*        C  15   3.517   2.727   8.398
  136    H3*    C  15           H3*        C  15   2.584   4.701   6.294
  137    H2*    C  15           H2*        C  15   4.376   3.655   4.977
  138   2HO*    C  15          2HO*        C  15   5.593   1.931   5.979
  139    H1*    C  15           H1*        C  15   3.731   1.180   5.713
  140   1H4     C  15          2H4         C  15   0.035   0.992   0.601
  141   2H4     C  15          1H4         C  15  -1.251   1.749   1.513
  142    H5     C  15           H5         C  15  -0.919   2.774   3.700
  143    H6     C  15           H6         C  15   0.681   3.075   5.504
  144   1H5*    A  16          1H5*        A  16   7.176   4.377   6.312
  145   2H5*    A  16          2H5*        A  16   7.705   5.997   5.853
  146    H4*    A  16           H4*        A  16   8.662   4.031   4.515
  147    H3*    A  16           H3*        A  16   7.298   6.353   3.123
  148    H2*    A  16           H2*        A  16   7.878   5.344   1.020
  149   2HO*    A  16          2HO*        A  16   9.229   3.436   0.962
  150    H1*    A  16           H1*        A  16   7.165   2.863   1.699
  151    H8     A  16           H8         A  16   4.558   5.060   3.292
  152   1H6     A  16          2H6         A  16   1.185   3.010  -1.479
  153   2H6     A  16          1H6         A  16   1.139   3.808   0.103
  154    H2     A  16           H2         A  16   5.518   2.159  -2.319
  155   1H5*    C  17          2H5*        C  17  11.274   6.983   0.105
  156   2H5*    C  17          1H5*        C  17  10.222   8.303  -0.476
  157    H4*    C  17           H4*        C  17  10.665   5.655  -1.578
  158    H3*    C  17           H3*        C  17   8.998   8.014  -2.515
  159    H2*    C  17           H2*        C  17   8.272   6.584  -4.294
  160   2HO*    C  17          2HO*        C  17   9.340   4.611  -4.732
  161    H1*    C  17           H1*        C  17   8.157   4.339  -2.606
  162   1H4     C  17          2H4         C  17   1.986   5.506  -2.604
  163   2H4     C  17          1H4         C  17   2.234   6.233  -1.018
  164    H5     C  17           H5         C  17   4.426   6.744  -0.103
  165    H6     C  17           H6         C  17   6.850   6.553  -0.506
  166   1H5*    U  18          2H5*        U  18  10.118   9.284  -7.490
  167   2H5*    U  18          1H5*        U  18   9.169   9.991  -6.165
  168    H4*    U  18           H4*        U  18   8.440   7.390  -7.633
  169    H3*    U  18           H3*        U  18   7.828  10.049  -8.438
  170    H2*    U  18           H2*        U  18   5.620  10.007  -7.299
  171   2HO*    U  18          2HO*        U  18   5.695   8.179  -9.412
  172    H1*    U  18           H1*        U  18   5.814   7.156  -7.201
  173    H3     U  18           H3         U  18   1.800   7.681  -5.158
  174    H5     U  18           H5         U  18   4.763   8.670  -2.344
  175    H6     U  18           H6         U  18   6.326   8.841  -4.191
  176   1H5*    U  19          2H5*        U  19   9.232   6.413 -10.280
  177   2H5*    U  19          1H5*        U  19  10.075   6.698 -11.812
  178    H4*    U  19           H4*        U  19   9.193   4.334 -11.745
  179    H3*    U  19           H3*        U  19   8.658   6.156 -13.871
  180    H2*    U  19           H2*        U  19   6.371   6.366 -13.506
  181   2HO*    U  19          2HO*        U  19   6.750   5.036 -15.455
  182    H1*    U  19           H1*        U  19   6.270   3.530 -12.566
  183    H3     U  19           H3         U  19   1.865   3.704 -11.907
  184    H5     U  19           H5         U  19   3.169   7.345 -10.237
  185    H6     U  19           H6         U  19   5.386   6.834 -11.013
  186   1H5*    A  20          1H5*        A  20  12.710   3.905 -13.933
  187   2H5*    A  20          2H5*        A  20  12.812   2.183 -14.340
  188    H4*    A  20           H4*        A  20  13.727   3.028 -12.045
  189    H3*    A  20           H3*        A  20  12.534   0.558 -12.880
  190    H2*    A  20           H2*        A  20  10.950   0.265 -11.341
  191   2HO*    A  20          2HO*        A  20  11.689   0.018  -9.143
  192    H1*    A  20           H1*        A  20  11.742   2.357  -9.422
  193    H8     A  20           H8         A  20   8.908   0.976 -11.748
  194   1H6     A  20          1H6         A  20   5.015   4.297  -8.455
  195   2H6     A  20          2H6         A  20   5.203   3.148  -9.760
  196    H2     A  20           H2         A  20   9.122   5.280  -6.980
  197   1H5*    A  21          1H5*        A  21  15.312  -1.630  -9.551
  198   2H5*    A  21          2H5*        A  21  13.798  -0.889 -10.106
  199    H4*    A  21           H4*        A  21  14.566  -1.155  -7.167
  200    H3*    A  21           H3*        A  21  13.302  -3.040  -9.106
  201    H2*    A  21           H2*        A  21  11.206  -2.668  -8.445
  202   2HO*    A  21          2HO*        A  21  12.219  -3.538  -5.921
  203    H1*    A  21           H1*        A  21  12.103  -1.251  -5.955
  204    H8     A  21           H8         A  21   9.165  -1.918  -8.105
  205   1H6     A  21          2H6         A  21   6.591   3.181  -5.656
  206   2H6     A  21          1H6         A  21   6.244   1.709  -6.566
  207    H2     A  21           H2         A  21  10.857   3.227  -4.664
  208   1H5*    A  22          2H5*        A  22  14.359  -5.012  -3.239
  209   2H5*    A  22          1H5*        A  22  12.649  -4.624  -3.046
  210    H4*    A  22           H4*        A  22  14.990  -2.695  -3.210
  211    H3*    A  22           H3*        A  22  13.286  -3.780  -1.050
  212    H2*    A  22           H2*        A  22  12.367  -1.851  -0.445
  213   2HO*    A  22          2HO*        A  22  13.778   0.021  -0.122
  214    H1*    A  22           H1*        A  22  13.667  -0.134  -2.466
  215    H8     A  22           H8         A  22  10.435  -1.855  -3.288
  216   1H6     A  22          2H6         A  22   7.490   3.138  -1.306
  217   2H6     A  22          1H6         A  22   7.334   1.604  -2.123
  218    H2     A  22           H2         A  22  11.841   3.557  -0.188
  219   1H5*    A  23          2H5*        A  23  15.384  -5.646   2.392
  220   2H5*    A  23          1H5*        A  23  14.241  -5.380   1.061
  221    H4*    A  23           H4*        A  23  15.632  -3.012   2.286
  222    H3*    A  23           H3*        A  23  13.780  -4.824   3.688
  223    H2*    A  23           H2*        A  23  11.993  -3.489   3.773
  224   2HO*    A  23          2HO*        A  23  13.200  -2.334   5.409
  225    H1*    A  23           H1*        A  23  13.037  -1.199   2.263
  226    H8     A  23           H8         A  23  11.327  -4.428   0.761
  227   1H6     A  23          2H6         A  23   6.472  -0.827  -0.228
  228   2H6     A  23          1H6         A  23   7.146  -2.429  -0.408
  229    H2     A  23           H2         A  23   9.631   1.671   1.736
  230   1H5*    A  24          2H5*        A  24  13.760  -1.710   7.050
  231   2H5*    A  24          1H5*        A  24  14.259  -2.842   8.323
  232    H4*    A  24           H4*        A  24  12.245  -1.880   9.056
  233    H3*    A  24           H3*        A  24  12.344  -4.693   8.344
  234    H2*    A  24           H2*        A  24  10.762  -4.546   6.662
  235   2HO*    A  24          2HO*        A  24   9.812  -5.628   8.627
  236    H1*    A  24           H1*        A  24   9.412  -2.355   8.229
  237    H8     A  24           H8         A  24   9.607  -4.027   4.706
  238   1H6     A  24          2H6         A  24   5.535   0.198   2.939
  239   2H6     A  24          1H6         A  24   6.496  -1.178   2.437
  240    H2     A  24           H2         A  24   6.577   1.035   7.211
  241   1H5*    C  25          2H5*        C  25  12.753  -6.105  13.440
  242   2H5*    C  25          1H5*        C  25  13.903  -4.961  12.721
  243    H4*    C  25           H4*        C  25  13.564  -6.014  10.509
  244    H3*    C  25           H3*        C  25  11.292  -7.215  11.832
  245    H2*    C  25           H2*        C  25  12.124  -9.243  12.300
  246   2HO*    C  25          2HO*        C  25  12.670 -10.549  10.405
  247    H1*    C  25           H1*        C  25  14.558  -9.102  10.609
  248   1H4     C  25          1H4         C  25  15.353 -12.974  15.771
  249   2H4     C  25          2H4         C  25  16.549 -11.788  16.242
  250    H5     C  25           H5         C  25  16.871  -9.705  15.074
  251    H6     C  25           H6         C  25  16.051  -8.269  13.266
  252   1H5*    A  26          1H5*        A  26   7.606  -7.003  10.754
  253   2H5*    A  26          2H5*        A  26   7.499  -6.650   9.017
  254    H4*    A  26           H4*        A  26   7.937  -4.530  11.150
  255    H3*    A  26           H3*        A  26   5.453  -5.723   9.990
  256    H2*    A  26           H2*        A  26   4.427  -3.689   9.699
  257   2HO*    A  26          2HO*        A  26   4.584  -2.318  11.284
  258    H1*    A  26           H1*        A  26   6.628  -2.189   8.967
  259    H8     A  26           H8         A  26   6.745  -5.418   6.956
  260   1H6     A  26          2H6         A  26   2.224  -3.528   3.484
  261   2H6     A  26          1H6         A  26   3.389  -4.794   3.799
  262    H2     A  26           H2         A  26   2.194  -0.837   6.956
  263   1H5*    A  27          1H5*        A  27   2.660  -7.269  13.828
  264   2H5*    A  27          2H5*        A  27   3.281  -7.513  12.181
  265    H4*    A  27           H4*        A  27   3.297  -4.750  13.370
  266    H3*    A  27           H3*        A  27   0.878  -6.268  12.388
  267    H2*    A  27           H2*        A  27   0.187  -4.506  11.175
  268   2HO*    A  27          2HO*        A  27   0.154  -2.520  11.961
  269    H1*    A  27           H1*        A  27   2.722  -3.159  11.016
  270    H8     A  27           H8         A  27   2.848  -6.060   8.577
  271   1H6     A  27          2H6         A  27  -0.119  -2.369   4.633
  272   2H6     A  27          1H6         A  27   0.793  -3.891   4.776
  273    H2     A  27           H2         A  27  -0.847  -0.844   8.739
  274   1H5*    C  28          1H5*        C  28  -3.236  -3.902  14.038
  275   2H5*    C  28          2H5*        C  28  -2.625  -3.987  12.378
  276    H4*    C  28           H4*        C  28  -2.845  -1.415  14.003
  277    H3*    C  28           H3*        C  28  -4.814  -2.924  12.420
  278    H2*    C  28           H2*        C  28  -5.170  -1.486  10.684
  279   2HO*    C  28          2HO*        C  28  -4.449   0.840  11.047
  280    H1*    C  28           H1*        C  28  -2.784  -0.191  10.417
  281   1H4     C  28          2H4         C  28  -2.765  -4.776   6.027
  282   2H4     C  28          1H4         C  28  -1.400  -5.465   6.923
  283    H5     C  28           H5         C  28  -0.827  -4.775   9.240
  284    H6     C  28           H6         C  28  -1.242  -2.854  10.907
  285   1H5*    G  29          1H5*        G  29  -7.272  -0.343  12.931
  286   2H5*    G  29          2H5*        G  29  -8.875  -0.605  13.644
  287    H4*    G  29           H4*        G  29  -8.985  -0.239  11.216
  288    H3*    G  29           H3*        G  29  -9.520  -3.098  12.066
  289    H2*    G  29           H2*        G  29  -9.878  -3.691   9.834
  290   2HO*    G  29          2HO*        G  29 -10.931  -1.173   9.747
  291    H1*    G  29           H1*        G  29  -8.229  -1.594   8.796
  292    H8     G  29           H8         G  29  -5.869  -3.573  10.601
  293    H1     G  29           H1         G  29  -6.878  -5.644   4.657
  294   1H2     G  29          2H2         G  29  -8.858  -4.888   3.942
  295   2H2     G  29          1H2         G  29  -9.905  -3.887   4.925
  296   1H5*    G  30          1H5*        G  30 -13.443  -5.115  11.554
  297   2H5*    G  30          2H5*        G  30 -11.925  -5.826  12.139
  298    H4*    G  30           H4*        G  30 -13.025  -5.623   9.322
  299    H3*    G  30           H3*        G  30 -12.094  -7.927  11.056
  300    H2*    G  30           H2*        G  30 -11.542  -9.104   9.085
  301   2HO*    G  30          2HO*        G  30 -12.375  -8.300   7.023
  302    H1*    G  30           H1*        G  30 -11.105  -6.750   7.586
  303    H8     G  30           H8         G  30  -8.627  -6.618  10.298
  304    H1     G  30           H1         G  30  -6.547  -9.278   4.853
  305   1H2     G  30          2H2         G  30  -8.310  -9.912   3.641
  306   2H2     G  30          1H2         G  30  -9.963  -9.683   4.167
  307    H3T    G  30           H3T        G  30 -14.101  -8.752  10.379
  Start of MODEL    4
    1   1H5*    A   3          2H5*        A   3  -6.919   6.271  -8.842
    2   2H5*    A   3          1H5*        A   3  -6.559   4.853  -9.877
    3    H4*    A   3           H4*        A   3  -5.802   6.928 -10.912
    4    H3*    A   3           H3*        A   3  -3.751   4.936  -9.994
    5    H2*    A   3           H2*        A   3  -1.915   6.313 -10.471
    6   2HO*    A   3          2HO*        A   3  -1.962   7.913 -11.959
    7    H1*    A   3           H1*        A   3  -3.109   8.767  -9.705
    8    H8     A   3           H8         A   3  -4.067   6.974  -6.858
    9   1H6     A   3          2H6         A   3   1.443   8.345  -4.506
   10   2H6     A   3          1H6         A   3  -0.227   7.860  -4.168
   11    H2     A   3           H2         A   3   1.724   8.721  -8.985
   12   1H5*    G   4          1H5*        G   4  -2.657   3.062 -13.596
   13   2H5*    G   4          2H5*        G   4  -2.857   1.392 -13.036
   14    H4*    G   4           H4*        G   4  -0.504   2.583 -13.208
   15    H3*    G   4           H3*        G   4  -1.423   0.848 -10.898
   16    H2*    G   4           H2*        G   4   0.749   1.120  -9.915
   17   2HO*    G   4          2HO*        G   4   2.372   2.295 -11.137
   18    H1*    G   4           H1*        G   4   1.046   3.725 -10.614
   19    H8     G   4           H8         G   4  -2.407   3.413  -9.142
   20    H1     G   4           H1         G   4   2.273   5.370  -5.231
   21   1H2     G   4          2H2         G   4   4.235   4.840  -6.172
   22   2H2     G   4          1H2         G   4   4.365   4.034  -7.718
   23   1H5*    U   5          1H5*        U   5   2.232   0.285 -11.891
   24   2H5*    U   5          2H5*        U   5   3.013  -1.280 -11.881
   25    H4*    U   5           H4*        U   5   4.159   0.412 -10.468
   26    H3*    U   5           H3*        U   5   2.975  -1.875  -8.864
   27    H2*    U   5           H2*        U   5   4.371  -1.000  -7.094
   28   2HO*    U   5          2HO*        U   5   5.786  -0.079  -9.262
   29    H1*    U   5           H1*        U   5   3.986   1.615  -7.977
   30    H3     U   5           H3         U   5   2.495   2.073  -3.742
   31    H5     U   5           H5         U   5  -0.815   1.022  -6.115
   32    H6     U   5           H6         U   5   0.721   0.345  -7.854
   33   1H5*    G   6          1H5*        G   6   6.808  -2.745  -8.572
   34   2H5*    G   6          2H5*        G   6   7.326  -4.380  -8.141
   35    H4*    G   6           H4*        G   6   7.500  -2.583  -6.377
   36    H3*    G   6           H3*        G   6   5.715  -4.971  -5.761
   37    H2*    G   6           H2*        G   6   5.346  -4.042  -3.635
   38   2HO*    G   6          2HO*        G   6   6.757  -2.464  -2.751
   39    H1*    G   6           H1*        G   6   5.848  -1.413  -4.461
   40    H8     G   6           H8         G   6   2.788  -2.283  -6.263
   41    H1     G   6           H1         G   6   1.799  -0.080  -0.337
   42   1H2     G   6          2H2         G   6   3.723  -0.343   0.857
   43   2H2     G   6          1H2         G   6   5.177  -1.036   0.174
   44   1H5*    G   7          1H5*        G   7   5.382  -7.912  -3.142
   45   2H5*    G   7          2H5*        G   7   5.078  -6.526  -4.217
   46    H4*    G   7           H4*        G   7   6.477  -5.498  -1.972
   47    H3*    G   7           H3*        G   7   4.500  -7.612  -1.147
   48    H2*    G   7           H2*        G   7   3.607  -6.203   0.471
   49   2HO*    G   7          2HO*        G   7   4.787  -4.488   1.371
   50    H1*    G   7           H1*        G   7   4.316  -3.786  -0.802
   51    H8     G   7           H8         G   7   2.177  -5.190  -3.278
   52    H1     G   7           H1         G   7  -1.312  -2.378   1.306
   53   1H2     G   7          2H2         G   7  -0.042  -2.172   3.192
   54   2H2     G   7          1H2         G   7   1.620  -2.717   3.296
   55   1H5*   CH   8          1H5*       CH   8   3.068  -9.347   1.616
   56   2H5*   CH   8          2H5*       CH   8   4.605  -9.852   2.347
   57    H4*   CH   8           H4*       CH   8   4.366  -8.242   4.132
   58    H3*   CH   8           H3*       CH   8   1.976  -9.979   3.564
   59    H2*   CH   8           H2*       CH   8   0.829  -9.000   5.422
   60   2HO*   CH   8          2HO*       CH   8   1.968  -7.418   6.720
   61    H1*   CH   8           H1*       CH   8   1.595  -6.498   4.971
   62    HN3   CH   8           H3        CH   8  -2.531  -5.622   3.710
   63   1H4    CH   8          1H4        CH   8  -2.855  -6.162   0.220
   64   2H4    CH   8          2H4        CH   8  -3.556  -5.482   1.643
   65    H5    CH   8           H5        CH   8  -0.674  -7.258   0.254
   66    H6    CH   8           H6        CH   8   1.149  -8.067   1.708
   67   1H5*    G   9          1H5*        G   9   0.443 -11.538   3.826
   68   2H5*    G   9          2H5*        G   9   0.397 -13.228   4.388
   69    H4*    G   9           H4*        G   9   1.272 -12.258   1.621
   70    H3*    G   9           H3*        G   9  -1.348 -12.450   2.661
   71    H2*    G   9           H2*        G   9  -1.371 -14.707   2.786
   72   2HO*    G   9          2HO*        G   9  -2.913 -14.047   1.097
   73    H1*    G   9           H1*        G   9   0.335 -14.781   0.291
   74    H8     G   9           H8         G   9   2.291 -16.954   1.379
   75    H1     G   9           H1         G   9  -3.218 -19.907   2.642
   76   1H2     G   9          1H2         G   9  -4.885 -18.438   2.630
   77   2H2     G   9          2H2         G   9  -4.632 -16.737   2.308
   78   1H5*    C  10          2H5*        C  10  -2.890 -12.929  -0.438
   79   2H5*    C  10          1H5*        C  10  -3.790 -11.795  -1.480
   80    H4*    C  10           H4*        C  10  -5.209 -13.588  -0.411
   81    H3*    C  10           H3*        C  10  -5.689 -10.660  -0.140
   82    H2*    C  10           H2*        C  10  -7.196 -10.786   1.623
   83   2HO*    C  10          2HO*        C  10  -8.429 -12.598   2.050
   84    H1*    C  10           H1*        C  10  -6.312 -13.028   2.865
   85   1H4     C  10          2H4         C  10  -4.038  -8.922   7.010
   86   2H4     C  10          1H4         C  10  -2.473  -9.081   6.213
   87    H5     C  10           H5         C  10  -2.176 -10.174   4.060
   88    H6     C  10           H6         C  10  -3.279 -11.452   2.310
   89   1H5*    C  11          1H5*        C  11  -8.515  -8.291  -3.120
   90   2H5*    C  11          2H5*        C  11  -6.985  -8.573  -2.262
   91    H4*    C  11           H4*        C  11  -9.596  -8.700  -0.776
   92    H3*    C  11           H3*        C  11  -7.992  -6.191  -1.384
   93    H2*    C  11           H2*        C  11  -8.448  -5.449   0.798
   94   2HO*    C  11          2HO*        C  11 -10.237  -6.306   1.990
   95    H1*    C  11           H1*        C  11  -8.844  -8.136   1.770
   96   1H4     C  11          2H4         C  11  -4.161  -7.011   5.705
   97   2H4     C  11          1H4         C  11  -3.092  -7.728   4.501
   98    H5     C  11           H5         C  11  -3.771  -8.238   2.251
   99    H6     C  11           H6         C  11  -5.607  -8.164   0.647
  100   1H5*    G  12          1H5*        G  12  -9.971  -1.974  -0.784
  101   2H5*    G  12          2H5*        G  12  -8.624  -3.146  -0.885
  102    H4*    G  12           H4*        G  12 -10.325  -3.098   1.580
  103    H3*    G  12           H3*        G  12  -8.276  -0.947   0.925
  104    H2*    G  12           H2*        G  12  -7.577  -1.033   3.160
  105   2HO*    G  12          2HO*        G  12  -8.959  -1.832   4.809
  106    H1*    G  12           H1*        G  12  -8.565  -3.685   3.535
  107    H8     G  12           H8         G  12  -5.768  -4.446   1.396
  108    H1     G  12           H1         G  12  -4.150  -3.874   7.527
  109   1H2     G  12          2H2         G  12  -5.747  -2.759   8.637
  110   2H2     G  12          1H2         G  12  -7.194  -2.146   7.840
  111   1H5*    A  13          1H5*        A  13  -8.574   2.862   4.370
  112   2H5*    A  13          2H5*        A  13  -9.379   3.506   2.923
  113    H4*    A  13           H4*        A  13  -6.785   1.934   2.798
  114    H3*    A  13           H3*        A  13  -7.245   4.890   3.200
  115    H2*    A  13           H2*        A  13  -5.568   5.423   1.726
  116   2HO*    A  13          2HO*        A  13  -4.161   3.767   2.899
  117    H1*    A  13           H1*        A  13  -5.843   3.129   0.033
  118    H8     A  13           H8         A  13  -5.255   5.840  -0.941
  119   1H6     A  13          1H6         A  13 -10.732   8.118  -2.593
  120   2H6     A  13          2H6         A  13  -8.999   8.284  -2.760
  121    H2     A  13           H2         A  13 -11.445   4.586   0.093
  122   1H5*    C  14          1H5*        C  14  -5.914   2.057   5.029
  123   2H5*    C  14          2H5*        C  14  -7.007   1.366   6.260
  124    H4*    C  14           H4*        C  14  -5.075   1.233   7.825
  125    H3*    C  14           H3*        C  14  -3.630   2.457   5.521
  126    H2*    C  14           H2*        C  14  -1.828   0.928   5.624
  127   2HO*    C  14          2HO*        C  14  -1.397  -0.250   7.435
  128    H1*    C  14           H1*        C  14  -3.097  -1.300   6.168
  129   1H4     C  14          2H4         C  14  -3.173  -2.192  -0.029
  130   2H4     C  14          1H4         C  14  -4.814  -1.623  -0.029
  131    H5     C  14           H5         C  14  -5.877  -0.595   1.830
  132    H6     C  14           H6         C  14  -5.598   0.067   4.148
  133   1H5*    C  15          1H5*        C  15  -0.607   1.779   7.980
  134   2H5*    C  15          2H5*        C  15   0.344   3.184   8.450
  135    H4*    C  15           H4*        C  15   1.776   1.367   7.612
  136    H3*    C  15           H3*        C  15   1.643   3.760   5.747
  137    H2*    C  15           H2*        C  15   3.299   2.652   4.417
  138   2HO*    C  15          2HO*        C  15   4.390   0.788   5.228
  139    H1*    C  15           H1*        C  15   2.291   0.146   4.865
  140   1H4     C  15          2H4         C  15  -0.438   0.530  -0.748
  141   2H4     C  15          1H4         C  15  -1.830   1.234   0.037
  142    H5     C  15           H5         C  15  -1.856   1.968   2.321
  143    H6     C  15           H6         C  15  -0.529   2.165   4.351
  144   1H5*    A  16          2H5*        A  16   6.164   6.006   5.625
  145   2H5*    A  16          1H5*        A  16   4.974   6.136   4.316
  146    H4*    A  16           H4*        A  16   7.527   4.518   4.445
  147    H3*    A  16           H3*        A  16   6.387   6.681   2.718
  148    H2*    A  16           H2*        A  16   7.017   5.708   0.677
  149   2HO*    A  16          2HO*        A  16   8.616   4.056   0.579
  150    H1*    A  16           H1*        A  16   6.593   3.139   1.193
  151    H8     A  16           H8         A  16   3.679   4.799   2.858
  152   1H6     A  16          2H6         A  16   0.702   2.678  -2.138
  153   2H6     A  16          1H6         A  16   0.535   3.346  -0.505
  154    H2     A  16           H2         A  16   5.154   2.526  -2.936
  155   1H5*    C  17          1H5*        C  17   8.920   8.994  -0.330
  156   2H5*    C  17          2H5*        C  17   7.430   8.169   0.211
  157    H4*    C  17           H4*        C  17   9.298   6.512  -1.392
  158    H3*    C  17           H3*        C  17   7.814   8.881  -2.588
  159    H2*    C  17           H2*        C  17   7.116   7.523  -4.412
  160   2HO*    C  17          2HO*        C  17   8.136   5.387  -4.728
  161    H1*    C  17           H1*        C  17   6.816   5.214  -2.978
  162   1H4     C  17          2H4         C  17   0.762   6.282  -3.541
  163   2H4     C  17          1H4         C  17   0.785   7.091  -1.975
  164    H5     C  17           H5         C  17   2.799   7.596  -0.781
  165    H6     C  17           H6         C  17   5.352   7.533  -0.910
  166   1H5*    U  18          1H5*        U  18  11.496   9.960  -7.265
  167   2H5*    U  18          2H5*        U  18  10.263  10.926  -6.432
  168    H4*    U  18           H4*        U  18   9.722   8.545  -8.283
  169    H3*    U  18           H3*        U  18   9.621  11.334  -8.752
  170    H2*    U  18           H2*        U  18   7.315  11.646  -8.071
  171   2HO*    U  18          2HO*        U  18   7.549  10.417 -10.472
  172    H1*    U  18           H1*        U  18   6.883   8.840  -8.455
  173    H3     U  18           H3         U  18   2.881   8.875  -6.460
  174    H5     U  18           H5         U  18   5.718   9.603  -3.438
  175    H6     U  18           H6         U  18   7.356  10.064  -5.176
  176   1H5*    U  19          1H5*        U  19   9.811   6.375 -12.271
  177   2H5*    U  19          2H5*        U  19   8.725   7.628 -11.841
  178    H4*    U  19           H4*        U  19   9.158   5.198 -10.179
  179    H3*    U  19           H3*        U  19   7.399   5.497 -12.312
  180    H2*    U  19           H2*        U  19   5.313   5.343 -11.281
  181   2HO*    U  19          2HO*        U  19   6.680   3.986  -9.219
  182    H1*    U  19           H1*        U  19   6.076   6.873  -9.013
  183    H3     U  19           H3         U  19   5.984   8.756 -14.098
  184    H5     U  19           H5         U  19   3.859  10.164 -10.812
  185    H6     U  19           H6         U  19   4.572   8.346  -9.652
  186   1H5*    A  20          2H5*        A  20  11.314   3.449 -12.985
  187   2H5*    A  20          1H5*        A  20  11.569   1.688 -13.020
  188    H4*    A  20           H4*        A  20  13.296   2.671 -11.742
  189    H3*    A  20           H3*        A  20  11.598   0.792 -10.511
  190    H2*    A  20           H2*        A  20  11.599   1.479  -8.323
  191   2HO*    A  20          2HO*        A  20  14.212   2.469  -8.858
  192    H1*    A  20           H1*        A  20  12.424   4.111  -8.415
  193    H8     A  20           H8         A  20   9.443   2.008  -9.802
  194   1H6     A  20          2H6         A  20   5.610   5.666  -6.867
  195   2H6     A  20          1H6         A  20   5.762   4.337  -7.994
  196    H2     A  20           H2         A  20   9.648   6.901  -5.748
  197   1H5*    A  21          1H5*        A  21  13.976  -3.099  -8.681
  198   2H5*    A  21          2H5*        A  21  12.329  -3.257  -9.328
  199    H4*    A  21           H4*        A  21  13.291  -1.433  -7.070
  200    H3*    A  21           H3*        A  21  11.040  -3.369  -7.437
  201    H2*    A  21           H2*        A  21   9.809  -2.029  -6.075
  202   2HO*    A  21          2HO*        A  21  10.877  -2.343  -4.195
  203    H1*    A  21           H1*        A  21  11.797   0.218  -6.290
  204    H8     A  21           H8         A  21   8.775  -0.755  -8.434
  205   1H6     A  21          1H6         A  21   5.681   3.788  -5.642
  206   2H6     A  21          2H6         A  21   5.538   2.430  -6.752
  207    H2     A  21           H2         A  21   9.825   3.732  -4.039
  208   1H5*    A  22          1H5*        A  22  14.297  -2.342  -5.096
  209   2H5*    A  22          2H5*        A  22  14.973  -3.121  -3.651
  210    H4*    A  22           H4*        A  22  15.554  -0.715  -3.781
  211    H3*    A  22           H3*        A  22  14.157  -2.001  -1.554
  212    H2*    A  22           H2*        A  22  12.836  -0.325  -0.943
  213   2HO*    A  22          2HO*        A  22  14.495   0.536   0.256
  214    H1*    A  22           H1*        A  22  13.753   1.741  -2.812
  215    H8     A  22           H8         A  22  10.996  -0.617  -3.793
  216   1H6     A  22          1H6         A  22   7.006   3.579  -1.771
  217   2H6     A  22          2H6         A  22   7.209   2.120  -2.708
  218    H2     A  22           H2         A  22  11.149   4.833  -0.455
  219   1H5*    A  23          1H5*        A  23  15.871  -4.045   1.273
  220   2H5*    A  23          2H5*        A  23  14.201  -4.050   0.674
  221    H4*    A  23           H4*        A  23  15.807  -1.634   1.582
  222    H3*    A  23           H3*        A  23  14.020  -3.464   2.944
  223    H2*    A  23           H2*        A  23  12.087  -2.334   2.883
  224   2HO*    A  23          2HO*        A  23  11.956  -0.465   4.022
  225    H1*    A  23           H1*        A  23  12.930   0.170   1.700
  226    H8     A  23           H8         A  23  11.752  -3.058  -0.260
  227   1H6     A  23          2H6         A  23   6.440  -0.067  -0.957
  228   2H6     A  23          1H6         A  23   7.324  -1.530  -1.322
  229    H2     A  23           H2         A  23   9.201   2.580   1.373
  230   1H5*    A  24          1H5*        A  24  12.831  -3.117   4.801
  231   2H5*    A  24          2H5*        A  24  13.009  -1.417   5.281
  232    H4*    A  24           H4*        A  24  12.104  -2.070   7.558
  233    H3*    A  24           H3*        A  24  12.491  -4.717   6.502
  234    H2*    A  24           H2*        A  24  10.609  -4.793   5.174
  235   2HO*    A  24          2HO*        A  24  10.231  -5.969   7.376
  236    H1*    A  24           H1*        A  24   9.089  -3.018   7.038
  237    H8     A  24           H8         A  24   9.445  -4.182   3.332
  238   1H6     A  24          2H6         A  24   4.698  -0.481   2.144
  239   2H6     A  24          1H6         A  24   5.870  -1.586   1.453
  240    H2     A  24           H2         A  24   5.643  -0.113   6.501
  241   1H5*    C  25          1H5*        C  25   9.778  -7.125   8.646
  242   2H5*    C  25          2H5*        C  25  10.425  -6.569  10.202
  243    H4*    C  25           H4*        C  25  10.766  -9.339   8.992
  244    H3*    C  25           H3*        C  25   8.788  -8.140  10.795
  245    H2*    C  25           H2*        C  25   9.334  -9.123  12.723
  246   2HO*    C  25          2HO*        C  25   9.665 -11.362  12.824
  247    H1*    C  25           H1*        C  25  11.771 -10.472  12.072
  248   1H4     C  25          2H4         C  25  13.128  -7.056  17.239
  249   2H4     C  25          1H4         C  25  12.494  -5.597  16.514
  250    H5     C  25           H5         C  25  11.510  -5.534  14.324
  251    H6     C  25           H6         C  25  10.960  -6.838  12.323
  252   1H5*    A  26          2H5*        A  26   6.419  -8.828   6.740
  253   2H5*    A  26          1H5*        A  26   8.007  -8.973   7.519
  254    H4*    A  26           H4*        A  26   7.343  -7.355   9.238
  255    H3*    A  26           H3*        A  26   4.704  -7.725   7.916
  256    H2*    A  26           H2*        A  26   4.192  -5.509   7.785
  257   2HO*    A  26          2HO*        A  26   4.759  -4.037   9.341
  258    H1*    A  26           H1*        A  26   6.853  -4.420   7.876
  259    H8     A  26           H8         A  26   7.180  -5.962   4.814
  260   1H6     A  26          1H6         A  26   3.159  -2.172   2.162
  261   2H6     A  26          2H6         A  26   4.468  -3.291   1.906
  262    H2     A  26           H2         A  26   2.299  -2.189   6.529
  263   1H5*    A  27          2H5*        A  27   2.087  -7.637  13.323
  264   2H5*    A  27          1H5*        A  27   1.600  -7.269  11.656
  265    H4*    A  27           H4*        A  27   3.752  -5.862  13.278
  266    H3*    A  27           H3*        A  27   0.918  -5.271  12.548
  267    H2*    A  27           H2*        A  27   1.310  -3.156  11.766
  268   2HO*    A  27          2HO*        A  27   3.193  -1.973  12.368
  269    H1*    A  27           H1*        A  27   3.846  -3.426  10.738
  270    H8     A  27           H8         A  27   2.416  -6.189   8.935
  271   1H6     A  27          2H6         A  27  -1.173  -2.492   5.714
  272   2H6     A  27          1H6         A  27  -0.600  -4.140   5.890
  273    H2     A  27           H2         A  27   0.565  -0.077   8.944
  274   1H5*    C  28          2H5*        C  28  -2.235  -4.442  15.295
  275   2H5*    C  28          1H5*        C  28  -2.019  -4.494  13.536
  276    H4*    C  28           H4*        C  28  -2.631  -2.049  15.239
  277    H3*    C  28           H3*        C  28  -4.205  -3.911  13.588
  278    H2*    C  28           H2*        C  28  -4.999  -2.466  11.996
  279   2HO*    C  28          2HO*        C  28  -5.967  -0.906  13.123
  280    H1*    C  28           H1*        C  28  -2.988  -0.657  11.733
  281   1H4     C  28          2H4         C  28  -2.140  -5.213   7.297
  282   2H4     C  28          1H4         C  28  -0.629  -5.577   8.145
  283    H5     C  28           H5         C  28  -0.084  -4.683  10.381
  284    H6     C  28           H6         C  28  -0.859  -3.012  12.112
  285   1H5*    G  29          1H5*        G  29  -7.204  -1.945  14.694
  286   2H5*    G  29          2H5*        G  29  -8.626  -2.565  15.548
  287    H4*    G  29           H4*        G  29  -9.169  -2.007  13.244
  288    H3*    G  29           H3*        G  29  -8.924  -5.003  13.628
  289    H2*    G  29           H2*        G  29  -9.650  -5.264  11.390
  290   2HO*    G  29          2HO*        G  29 -10.639  -3.563  10.254
  291    H1*    G  29           H1*        G  29  -8.403  -2.863  10.522
  292    H8     G  29           H8         G  29  -5.664  -4.563  12.073
  293    H1     G  29           H1         G  29  -6.478  -6.212   5.957
  294   1H2     G  29          2H2         G  29  -8.573  -5.758   5.337
  295   2H2     G  29          1H2         G  29  -9.756  -5.055   6.421
  296   1H5*    G  30          1H5*        G  30 -12.844  -5.310  13.201
  297   2H5*    G  30          2H5*        G  30 -13.467  -6.798  13.932
  298    H4*    G  30           H4*        G  30 -12.967  -6.725  11.404
  299    H3*    G  30           H3*        G  30 -11.687  -8.878  13.112
  300    H2*    G  30           H2*        G  30 -10.884  -9.817  11.106
  301   2HO*    G  30          2HO*        G  30 -11.838  -9.224   9.074
  302    H1*    G  30           H1*        G  30 -10.975  -7.309   9.762
  303    H8     G  30           H8         G  30  -8.295  -6.811  12.177
  304    H1     G  30           H1         G  30  -6.401  -9.545   6.704
  305   1H2     G  30          2H2         G  30  -8.175 -10.458   5.695
  306   2H2     G  30          1H2         G  30  -9.791 -10.388   6.365
  307    H3T    G  30           H3T        G  30 -13.490 -10.044  12.201
  Start of MODEL    5
    1   1H5*    A   3          2H5*        A   3  -6.652   7.040 -10.610
    2   2H5*    A   3          1H5*        A   3  -6.205   5.489 -11.382
    3    H4*    A   3           H4*        A   3  -4.845   7.294 -12.273
    4    H3*    A   3           H3*        A   3  -3.483   5.295 -10.465
    5    H2*    A   3           H2*        A   3  -1.404   6.380 -10.623
    6   2HO*    A   3          2HO*        A   3  -0.900   7.809 -12.198
    7    H1*    A   3           H1*        A   3  -2.386   8.949 -10.411
    8    H8     A   3           H8         A   3  -4.422   7.590  -7.795
    9   1H6     A   3          2H6         A   3   0.614   8.554  -4.183
   10   2H6     A   3          1H6         A   3  -1.148   8.298  -4.146
   11    H2     A   3           H2         A   3   1.866   8.446  -8.472
   12   1H5*    G   4          1H5*        G   4  -3.838   1.683 -10.254
   13   2H5*    G   4          2H5*        G   4  -3.708   3.057  -9.101
   14    H4*    G   4           H4*        G   4  -1.782   2.658 -11.397
   15    H3*    G   4           H3*        G   4  -1.553   1.763  -8.531
   16    H2*    G   4           H2*        G   4   0.842   1.937  -8.732
   17   2HO*    G   4          2HO*        G   4   1.773   2.762 -10.614
   18    H1*    G   4           H1*        G   4   0.575   4.444  -9.483
   19    H8     G   4           H8         G   4  -2.538   3.965  -7.468
   20    H1     G   4           H1         G   4   2.630   5.530  -4.076
   21   1H2     G   4          2H2         G   4   4.452   5.073  -5.323
   22   2H2     G   4          1H2         G   4   4.355   4.397  -6.932
   23   1H5*    U   5          2H5*        U   5   1.878  -2.733  -9.607
   24   2H5*    U   5          1H5*        U   5   0.661  -3.526  -8.584
   25    H4*    U   5           H4*        U   5   2.571  -1.440  -7.916
   26    H3*    U   5           H3*        U   5   0.173  -2.396  -6.166
   27    H2*    U   5           H2*        U   5   1.573  -1.109  -4.542
   28   2HO*    U   5          2HO*        U   5   3.419  -0.059  -5.297
   29    H1*    U   5           H1*        U   5   1.949   0.776  -6.447
   30    H3     U   5           H3         U   5   1.111   2.477  -2.527
   31    H5     U   5           H5         U   5  -2.684   2.099  -4.338
   32    H6     U   5           H6         U   5  -1.670   0.649  -6.056
   33   1H5*    G   6          1H5*        G   6   4.119  -2.723  -7.017
   34   2H5*    G   6          2H5*        G   6   5.037  -3.833  -8.038
   35    H4*    G   6           H4*        G   6   6.831  -3.520  -6.743
   36    H3*    G   6           H3*        G   6   5.266  -4.677  -4.503
   37    H2*    G   6           H2*        G   6   6.801  -3.864  -2.853
   38   2HO*    G   6          2HO*        G   6   8.391  -3.356  -5.138
   39    H1*    G   6           H1*        G   6   6.970  -1.404  -3.707
   40    H8     G   6           H8         G   6   3.757  -2.324  -4.883
   41    H1     G   6           H1         G   6   2.884   0.166   0.849
   42   1H2     G   6          2H2         G   6   4.869   0.269   1.960
   43   2H2     G   6          1H2         G   6   6.379  -0.305   1.288
   44   1H5*    G   7          1H5*        G   7   4.909  -8.263  -2.899
   45   2H5*    G   7          2H5*        G   7   4.776  -6.622  -3.596
   46    H4*    G   7           H4*        G   7   6.823  -6.730  -1.526
   47    H3*    G   7           H3*        G   7   4.218  -8.057  -0.820
   48    H2*    G   7           H2*        G   7   3.784  -6.705   1.026
   49   2HO*    G   7          2HO*        G   7   6.561  -6.456   1.036
   50    H1*    G   7           H1*        G   7   4.843  -4.375   0.163
   51    H8     G   7           H8         G   7   3.083  -5.433  -2.844
   52    H1     G   7           H1         G   7  -0.728  -2.174   1.134
   53   1H2     G   7          2H2         G   7   0.161  -2.219   3.228
   54   2H2     G   7          1H2         G   7   1.675  -3.013   3.606
   55   1H5*   CH   8          1H5*       CH   8   2.530 -10.401   1.645
   56   2H5*   CH   8          2H5*       CH   8   2.892  -8.907   0.769
   57    H4*   CH   8           H4*       CH   8   4.058  -8.653   3.360
   58    H3*   CH   8           H3*       CH   8   1.322  -9.903   3.417
   59    H2*   CH   8           H2*       CH   8   0.570  -8.403   5.060
   60   2HO*   CH   8          2HO*       CH   8   1.953  -7.029   6.178
   61    H1*   CH   8           H1*       CH   8   1.660  -6.221   4.162
   62    HN3   CH   8           H3        CH   8  -2.630  -5.395   3.179
   63   1H4    CH   8          1H4        CH   8  -3.073  -6.057  -0.301
   64   2H4    CH   8          2H4        CH   8  -3.744  -5.346   1.122
   65    H5    CH   8           H5        CH   8  -0.904  -7.156  -0.307
   66    H6    CH   8           H6        CH   8   0.987  -7.844   1.082
   67   1H5*    G   9          1H5*        G   9   0.118 -11.745   3.181
   68   2H5*    G   9          2H5*        G   9   0.283 -13.409   3.803
   69    H4*    G   9           H4*        G   9   1.116 -12.338   1.058
   70    H3*    G   9           H3*        G   9  -1.406 -13.133   1.973
   71    H2*    G   9           H2*        G   9  -0.784 -15.304   2.371
   72   2HO*    G   9          2HO*        G   9  -2.441 -15.195   0.615
   73    H1*    G   9           H1*        G   9   0.910 -15.218  -0.128
   74    H8     G   9           H8         G   9  -0.398 -17.941   0.696
   75    H1     G   9           H1         G   9   5.155 -18.527   3.780
   76   1H2     G   9          2H2         G   9   6.114 -16.532   4.002
   77   2H2     G   9          1H2         G   9   5.374 -15.067   3.397
   78   1H5*    C  10          2H5*        C  10  -3.190 -13.745  -1.085
   79   2H5*    C  10          1H5*        C  10  -3.624 -12.447  -2.235
   80    H4*    C  10           H4*        C  10  -5.589 -13.778  -1.497
   81    H3*    C  10           H3*        C  10  -5.361 -10.844  -0.957
   82    H2*    C  10           H2*        C  10  -7.204 -10.744   0.502
   83   2HO*    C  10          2HO*        C  10  -8.802 -12.276   0.547
   84    H1*    C  10           H1*        C  10  -6.907 -13.081   1.761
   85   1H4     C  10          2H4         C  10  -4.115  -9.594   6.106
   86   2H4     C  10          1H4         C  10  -2.561 -10.129   5.466
   87    H5     C  10           H5         C  10  -2.329 -11.271   3.282
   88    H6     C  10           H6         C  10  -3.538 -12.305   1.472
   89   1H5*    C  11          1H5*        C  11  -8.815 -10.461  -2.546
   90   2H5*    C  11          2H5*        C  11  -9.158  -9.034  -3.528
   91    H4*    C  11           H4*        C  11  -9.954  -8.937  -1.132
   92    H3*    C  11           H3*        C  11  -7.938  -6.829  -1.979
   93    H2*    C  11           H2*        C  11  -8.250  -5.859   0.144
   94   2HO*    C  11          2HO*        C  11 -10.800  -6.749  -0.260
   95    H1*    C  11           H1*        C  11  -9.033  -8.369   1.303
   96   1H4     C  11          2H4         C  11  -4.179  -7.565   5.107
   97   2H4     C  11          1H4         C  11  -3.233  -8.546   3.989
   98    H5     C  11           H5         C  11  -4.018  -9.185   1.795
   99    H6     C  11           H6         C  11  -5.848  -8.997   0.191
  100   1H5*    G  12          1H5*        G  12  -9.395  -2.227  -1.742
  101   2H5*    G  12          2H5*        G  12  -8.242  -3.561  -1.408
  102    H4*    G  12           H4*        G  12 -10.406  -3.004   0.582
  103    H3*    G  12           H3*        G  12  -8.042  -1.149   0.148
  104    H2*    G  12           H2*        G  12  -7.820  -0.957   2.492
  105   2HO*    G  12          2HO*        G  12  -9.504  -1.618   3.898
  106    H1*    G  12           H1*        G  12  -8.772  -3.513   3.041
  107    H8     G  12           H8         G  12  -6.011  -4.391   0.874
  108    H1     G  12           H1         G  12  -4.294  -3.569   6.931
  109   1H2     G  12          2H2         G  12  -5.889  -2.434   8.040
  110   2H2     G  12          1H2         G  12  -7.360  -1.878   7.250
  111   1H5*    A  13          1H5*        A  13 -10.070   3.333   0.284
  112   2H5*    A  13          2H5*        A  13  -8.720   3.200  -0.856
  113    H4*    A  13           H4*        A  13  -7.146   3.993   0.837
  114    H3*    A  13           H3*        A  13  -8.861   2.995   2.722
  115    H2*    A  13           H2*        A  13 -10.574   4.477   2.809
  116   2HO*    A  13          2HO*        A  13  -8.648   6.334   3.783
  117    H1*    A  13           H1*        A  13  -9.417   6.940   1.849
  118    H8     A  13           H8         A  13 -12.338   6.091   2.471
  119   1H6     A  13          1H6         A  13 -14.617   5.301  -3.194
  120   2H6     A  13          2H6         A  13 -15.015   5.521  -1.504
  121    H2     A  13           H2         A  13 -10.131   5.309  -3.488
  122   1H5*    C  14          1H5*        C  14  -4.911   2.898   3.891
  123   2H5*    C  14          2H5*        C  14  -6.306   2.021   4.646
  124    H4*    C  14           H4*        C  14  -4.795   2.229   6.831
  125    H3*    C  14           H3*        C  14  -2.896   2.291   4.537
  126    H2*    C  14           H2*        C  14  -1.454   0.673   5.315
  127   2HO*    C  14          2HO*        C  14  -1.563  -0.222   7.278
  128    H1*    C  14           H1*        C  14  -3.309  -1.047   5.646
  129   1H4     C  14          2H4         C  14  -2.288  -1.717  -0.502
  130   2H4     C  14          1H4         C  14  -3.809  -0.930  -0.771
  131    H5     C  14           H5         C  14  -5.051   0.222   0.921
  132    H6     C  14           H6         C  14  -5.096   0.793   3.278
  133   1H5*    C  15          2H5*        C  15   0.838   3.958   9.274
  134   2H5*    C  15          1H5*        C  15   1.378   5.262   8.275
  135    H4*    C  15           H4*        C  15   2.815   2.987   8.634
  136    H3*    C  15           H3*        C  15   2.858   4.917   6.361
  137    H2*    C  15           H2*        C  15   4.279   3.501   5.082
  138   2HO*    C  15          2HO*        C  15   5.493   1.838   6.006
  139    H1*    C  15           H1*        C  15   3.444   1.091   6.091
  140   1H4     C  15          2H4         C  15   0.585   0.507   0.473
  141   2H4     C  15          1H4         C  15  -0.847   1.123   1.257
  142    H5     C  15           H5         C  15  -0.856   2.130   3.407
  143    H6     C  15           H6         C  15   0.540   2.652   5.340
  144   1H5*    A  16          1H5*        A  16   7.358   6.345   5.479
  145   2H5*    A  16          2H5*        A  16   5.866   6.405   4.536
  146    H4*    A  16           H4*        A  16   8.079   4.372   4.320
  147    H3*    A  16           H3*        A  16   6.877   6.502   2.555
  148    H2*    A  16           H2*        A  16   7.367   5.140   0.613
  149   2HO*    A  16          2HO*        A  16   8.538   3.192   0.847
  150    H1*    A  16           H1*        A  16   6.345   2.937   1.557
  151    H8     A  16           H8         A  16   4.302   5.626   3.194
  152   1H6     A  16          2H6         A  16  -0.097   3.893  -0.899
  153   2H6     A  16          1H6         A  16   0.245   4.844   0.563
  154    H2     A  16           H2         A  16   4.031   2.242  -2.162
  155   1H5*    C  17          2H5*        C  17  10.678   7.699   0.386
  156   2H5*    C  17          1H5*        C  17   9.879   9.106  -0.359
  157    H4*    C  17           H4*        C  17  10.083   6.453  -1.351
  158    H3*    C  17           H3*        C  17   8.471   8.847  -2.286
  159    H2*    C  17           H2*        C  17   7.533   7.418  -3.949
  160   2HO*    C  17          2HO*        C  17   8.518   5.455  -4.518
  161    H1*    C  17           H1*        C  17   7.462   5.161  -2.280
  162   1H4     C  17          2H4         C  17   1.375   6.329  -2.146
  163   2H4     C  17          1H4         C  17   1.615   7.018  -0.540
  164    H5     C  17           H5         C  17   3.834   7.508   0.385
  165    H6     C  17           H6         C  17   6.253   7.348  -0.051
  166   1H5*    U  18          1H5*        U  18  10.926   8.408  -5.749
  167   2H5*    U  18          2H5*        U  18  10.907   9.842  -6.789
  168    H4*    U  18           H4*        U  18   9.240   7.782  -7.247
  169    H3*    U  18           H3*        U  18   9.107  10.527  -8.033
  170    H2*    U  18           H2*        U  18   6.794  10.791  -7.241
  171   2HO*    U  18          2HO*        U  18   6.956   9.097  -9.419
  172    H1*    U  18           H1*        U  18   6.582   7.926  -7.223
  173    H3     U  18           H3         U  18   2.432   8.692  -5.856
  174    H5     U  18           H5         U  18   4.924   9.414  -2.532
  175    H6     U  18           H6         U  18   6.808   9.487  -4.156
  176   1H5*    U  19          1H5*        U  19   9.976   6.993  -9.958
  177   2H5*    U  19          2H5*        U  19  10.959   7.211 -11.419
  178    H4*    U  19           H4*        U  19   9.987   4.909 -11.448
  179    H3*    U  19           H3*        U  19   9.538   6.800 -13.550
  180    H2*    U  19           H2*        U  19   7.234   7.012 -13.246
  181   2HO*    U  19          2HO*        U  19   7.608   4.525 -14.580
  182    H1*    U  19           H1*        U  19   7.111   4.161 -12.367
  183    H3     U  19           H3         U  19   2.685   4.295 -11.814
  184    H5     U  19           H5         U  19   3.905   7.990 -10.194
  185    H6     U  19           H6         U  19   6.158   7.475 -10.876
  186   1H5*    A  20          2H5*        A  20  11.748   1.599 -13.602
  187   2H5*    A  20          1H5*        A  20  10.119   2.261 -13.415
  188    H4*    A  20           H4*        A  20  12.124   1.717 -11.213
  189    H3*    A  20           H3*        A  20   9.767   0.214 -12.287
  190    H2*    A  20           H2*        A  20   8.795  -0.214 -10.285
  191   2HO*    A  20          2HO*        A  20  10.261   0.107  -8.308
  192    H1*    A  20           H1*        A  20   9.827   1.948  -8.790
  193    H8     A  20           H8         A  20   7.127   0.783 -11.315
  194   1H6     A  20          2H6         A  20   3.421   4.962  -8.830
  195   2H6     A  20          1H6         A  20   3.538   3.615  -9.938
  196    H2     A  20           H2         A  20   7.470   5.618  -7.096
  197   1H5*    A  21          1H5*        A  21  14.274  -0.490  -8.053
  198   2H5*    A  21          2H5*        A  21  13.683  -2.021  -8.727
  199    H4*    A  21           H4*        A  21  13.072  -1.139  -6.215
  200    H3*    A  21           H3*        A  21  11.818  -3.032  -8.137
  201    H2*    A  21           H2*        A  21   9.735  -2.145  -7.939
  202   2HO*    A  21          2HO*        A  21   9.541  -3.892  -6.468
  203    H1*    A  21           H1*        A  21  10.562  -0.810  -5.370
  204    H8     A  21           H8         A  21   7.732  -1.216  -7.600
  205   1H6     A  21          2H6         A  21   5.811   4.303  -5.450
  206   2H6     A  21          1H6         A  21   5.257   2.836  -6.258
  207    H2     A  21           H2         A  21   9.980   3.889  -4.430
  208   1H5*    A  22          2H5*        A  22  14.431  -4.005  -3.006
  209   2H5*    A  22          1H5*        A  22  12.805  -3.726  -3.624
  210    H4*    A  22           H4*        A  22  14.782  -1.454  -3.378
  211    H3*    A  22           H3*        A  22  13.374  -2.881  -1.179
  212    H2*    A  22           H2*        A  22  12.093  -1.143  -0.594
  213   2HO*    A  22          2HO*        A  22  13.156   1.000  -0.414
  214    H1*    A  22           H1*        A  22  13.055   0.705  -2.700
  215    H8     A  22           H8         A  22  10.034  -1.522  -3.263
  216   1H6     A  22          1H6         A  22   6.503   3.248  -1.402
  217   2H6     A  22          2H6         A  22   6.495   1.686  -2.167
  218    H2     A  22           H2         A  22  10.900   4.196  -0.558
  219   1H5*    A  23          1H5*        A  23  16.099  -4.905   1.533
  220   2H5*    A  23          2H5*        A  23  14.328  -4.974   1.429
  221    H4*    A  23           H4*        A  23  16.099  -2.571   1.938
  222    H3*    A  23           H3*        A  23  14.291  -4.234   3.502
  223    H2*    A  23           H2*        A  23  12.532  -2.909   3.693
  224   2HO*    A  23          2HO*        A  23  13.792  -1.816   5.325
  225    H1*    A  23           H1*        A  23  13.398  -0.544   2.213
  226    H8     A  23           H8         A  23  11.845  -3.848   0.696
  227   1H6     A  23          2H6         A  23   6.816  -0.476   0.010
  228   2H6     A  23          1H6         A  23   7.581  -2.008  -0.323
  229    H2     A  23           H2         A  23   9.862   2.097   1.998
  230   1H5*    A  24          2H5*        A  24  14.305  -1.102   6.868
  231   2H5*    A  24          1H5*        A  24  14.964  -2.231   8.069
  232    H4*    A  24           H4*        A  24  12.948  -1.420   8.982
  233    H3*    A  24           H3*        A  24  13.123  -4.202   8.100
  234    H2*    A  24           H2*        A  24  11.247  -4.220   6.795
  235   2HO*    A  24          2HO*        A  24  10.632  -4.940   9.150
  236    H1*    A  24           H1*        A  24  10.025  -1.964   8.322
  237    H8     A  24           H8         A  24  10.221  -3.678   4.805
  238   1H6     A  24          1H6         A  24   5.825   0.234   3.141
  239   2H6     A  24          2H6         A  24   6.864  -1.078   2.625
  240    H2     A  24           H2         A  24   6.924   1.176   7.388
  241   1H5*    C  25          2H5*        C  25  12.615  -7.775  10.327
  242   2H5*    C  25          1H5*        C  25  12.292  -7.183   8.686
  243    H4*    C  25           H4*        C  25   9.893  -7.718   8.988
  244    H3*    C  25           H3*        C  25  10.720  -8.077  11.749
  245    H2*    C  25           H2*        C  25  10.911 -10.291  11.846
  246   2HO*    C  25          2HO*        C  25   8.210  -9.867  11.373
  247    H1*    C  25           H1*        C  25   9.596 -10.973   9.296
  248   1H4     C  25          2H4         C  25  15.309 -14.189  10.529
  249   2H4     C  25          1H4         C  25  14.122 -15.439  10.232
  250    H5     C  25           H5         C  25  11.789 -14.973   9.840
  251    H6     C  25           H6         C  25  10.130 -13.214   9.481
  252   1H5*    A  26          2H5*        A  26   9.066  -5.701   9.604
  253   2H5*    A  26          1H5*        A  26   8.375  -5.836  11.233
  254    H4*    A  26           H4*        A  26   8.178  -3.555  10.634
  255    H3*    A  26           H3*        A  26   5.646  -5.127  10.364
  256    H2*    A  26           H2*        A  26   4.559  -3.460   9.295
  257   2HO*    A  26          2HO*        A  26   4.815  -1.286   9.890
  258    H1*    A  26           H1*        A  26   6.887  -1.840   8.648
  259    H8     A  26           H8         A  26   7.047  -4.282   6.039
  260   1H6     A  26          2H6         A  26   2.453  -1.596   3.083
  261   2H6     A  26          1H6         A  26   3.940  -2.503   2.921
  262    H2     A  26           H2         A  26   1.965  -0.636   7.423
  263   1H5*    A  27          1H5*        A  27   4.184  -6.408  14.224
  264   2H5*    A  27          2H5*        A  27   3.732  -6.975  12.604
  265    H4*    A  27           H4*        A  27   4.066  -4.089  13.493
  266    H3*    A  27           H3*        A  27   1.705  -5.870  12.891
  267    H2*    A  27           H2*        A  27   0.680  -4.282  11.710
  268   2HO*    A  27          2HO*        A  27   0.678  -2.138  12.257
  269    H1*    A  27           H1*        A  27   2.964  -2.615  11.205
  270    H8     A  27           H8         A  27   3.103  -5.618   8.872
  271   1H6     A  27          2H6         A  27  -0.556  -2.523   5.149
  272   2H6     A  27          1H6         A  27   0.606  -3.821   5.291
  273    H2     A  27           H2         A  27  -1.028  -0.726   9.212
  274   1H5*    C  28          2H5*        C  28  -2.420  -4.168  14.717
  275   2H5*    C  28          1H5*        C  28  -2.155  -4.236  12.967
  276    H4*    C  28           H4*        C  28  -2.593  -1.716  14.632
  277    H3*    C  28           H3*        C  28  -4.354  -3.528  13.115
  278    H2*    C  28           H2*        C  28  -5.129  -2.098  11.493
  279   2HO*    C  28          2HO*        C  28  -4.855   0.270  11.855
  280    H1*    C  28           H1*        C  28  -2.988  -0.490  11.019
  281   1H4     C  28          2H4         C  28  -2.453  -5.111   6.759
  282   2H4     C  28          1H4         C  28  -0.982  -5.586   7.632
  283    H5     C  28           H5         C  28  -0.443  -4.773   9.882
  284    H6     C  28           H6         C  28  -1.063  -2.948  11.551
  285   1H5*    G  29          1H5*        G  29  -6.748  -1.260  13.628
  286   2H5*    G  29          2H5*        G  29  -8.406  -1.308  14.256
  287    H4*    G  29           H4*        G  29  -8.526  -1.173  11.879
  288    H3*    G  29           H3*        G  29  -8.810  -4.089  12.667
  289    H2*    G  29           H2*        G  29  -9.255  -4.545  10.407
  290   2HO*    G  29          2HO*        G  29  -9.912  -2.942   8.957
  291    H1*    G  29           H1*        G  29  -7.649  -2.361   9.498
  292    H8     G  29           H8         G  29  -5.186  -4.279  11.199
  293    H1     G  29           H1         G  29  -6.328  -6.417   5.277
  294   1H2     G  29          2H2         G  29  -8.345  -5.720   4.619
  295   2H2     G  29          1H2         G  29  -9.393  -4.743   5.627
  296   1H5*    G  30          1H5*        G  30 -12.596  -3.935  11.305
  297   2H5*    G  30          2H5*        G  30 -13.528  -5.268  12.005
  298    H4*    G  30           H4*        G  30 -12.705  -5.361   9.545
  299    H3*    G  30           H3*        G  30 -12.116  -7.683  11.405
  300    H2*    G  30           H2*        G  30 -11.368  -8.821   9.477
  301   2HO*    G  30          2HO*        G  30 -11.943  -8.049   7.368
  302    H1*    G  30           H1*        G  30 -10.740  -6.372   8.168
  303    H8     G  30           H8         G  30  -8.285  -6.472  10.849
  304    H1     G  30           H1         G  30  -6.521  -9.644   5.565
  305   1H2     G  30          2H2         G  30  -8.349 -10.126   4.378
  306   2H2     G  30          1H2         G  30  -9.961  -9.676   4.886
  307    H3T    G  30           H3T        G  30 -14.334  -7.195  11.147
  Start of MODEL    6
    1   1H5*    A   3          1H5*        A   3  -6.050   6.546  -8.325
    2   2H5*    A   3          2H5*        A   3  -7.153   7.786  -9.010
    3    H4*    A   3           H4*        A   3  -5.668   8.053 -10.932
    4    H3*    A   3           H3*        A   3  -4.063   5.892  -9.567
    5    H2*    A   3           H2*        A   3  -2.013   6.984  -9.890
    6   2HO*    A   3          2HO*        A   3  -1.655   8.434 -11.473
    7    H1*    A   3           H1*        A   3  -2.935   9.598  -9.416
    8    H8     A   3           H8         A   3  -4.517   8.165  -6.633
    9   1H6     A   3          2H6         A   3   0.904   8.779  -3.739
   10   2H6     A   3          1H6         A   3  -0.849   8.591  -3.542
   11    H2     A   3           H2         A   3   1.660   8.813  -8.168
   12   1H5*    G   4          1H5*        G   4  -2.417   4.862 -13.242
   13   2H5*    G   4          2H5*        G   4  -2.538   3.116 -13.513
   14    H4*    G   4           H4*        G   4  -0.223   3.955 -13.283
   15    H3*    G   4           H3*        G   4  -1.215   2.111 -11.092
   16    H2*    G   4           H2*        G   4   0.965   2.168 -10.117
   17   2HO*    G   4          2HO*        G   4   2.696   3.211 -11.254
   18    H1*    G   4           H1*        G   4   1.458   4.793 -10.659
   19    H8     G   4           H8         G   4  -1.965   4.789  -9.170
   20    H1     G   4           H1         G   4   2.883   5.664  -5.068
   21   1H2     G   4          2H2         G   4   4.779   4.972  -6.035
   22   2H2     G   4          1H2         G   4   4.836   4.308  -7.653
   23   1H5*    U   5          1H5*        U   5   2.429   1.294 -12.007
   24   2H5*    U   5          2H5*        U   5   2.976  -0.370 -12.080
   25    H4*    U   5           H4*        U   5   4.285   1.023 -10.502
   26    H3*    U   5           H3*        U   5   2.662  -1.132  -9.117
   27    H2*    U   5           H2*        U   5   3.984  -0.594  -7.206
   28   2HO*    U   5          2HO*        U   5   5.852   0.723  -7.425
   29    H1*    U   5           H1*        U   5   4.211   2.090  -8.010
   30    H3     U   5           H3         U   5   2.745   2.640  -3.782
   31    H5     U   5           H5         U   5  -0.640   2.467  -6.270
   32    H6     U   5           H6         U   5   0.766   1.556  -8.013
   33   1H5*    G   6          1H5*        G   6   6.330  -2.277  -8.199
   34   2H5*    G   6          2H5*        G   6   6.510  -3.983  -7.762
   35    H4*    G   6           H4*        G   6   6.886  -2.258  -5.954
   36    H3*    G   6           H3*        G   6   4.669  -4.271  -5.471
   37    H2*    G   6           H2*        G   6   4.529  -3.351  -3.291
   38   2HO*    G   6          2HO*        G   6   7.211  -2.975  -3.696
   39    H1*    G   6           H1*        G   6   5.433  -0.841  -4.080
   40    H8     G   6           H8         G   6   2.299  -1.192  -5.921
   41    H1     G   6           H1         G   6   1.535   1.164  -0.010
   42   1H2     G   6          2H2         G   6   3.371   0.637   1.226
   43   2H2     G   6          1H2         G   6   4.723  -0.276   0.588
   44   1H5*    G   7          1H5*        G   7   3.820  -7.335  -3.143
   45   2H5*    G   7          2H5*        G   7   3.838  -5.904  -4.215
   46    H4*    G   7           H4*        G   7   5.149  -5.147  -1.816
   47    H3*    G   7           H3*        G   7   2.661  -6.749  -1.241
   48    H2*    G   7           H2*        G   7   2.201  -5.182   0.474
   49   2HO*    G   7          2HO*        G   7   4.972  -4.797   0.349
   50    H1*    G   7           H1*        G   7   3.319  -3.034  -0.898
   51    H8     G   7           H8         G   7   0.989  -4.103  -3.378
   52    H1     G   7           H1         G   7  -1.962  -0.857   1.289
   53   1H2     G   7          2H2         G   7  -0.633  -0.888   3.150
   54   2H2     G   7          1H2         G   7   0.927  -1.681   3.198
   55   1H5*   CH   8          1H5*       CH   8   4.311  -9.501   3.127
   56   2H5*   CH   8          2H5*       CH   8   5.319  -8.175   2.536
   57    H4*   CH   8           H4*       CH   8   4.772  -7.410   4.656
   58    H3*   CH   8           H3*       CH   8   2.175  -8.844   4.188
   59    H2*   CH   8           H2*       CH   8   1.103  -7.470   5.809
   60   2HO*   CH   8          2HO*       CH   8   2.240  -5.951   7.022
   61    H1*   CH   8           H1*       CH   8   2.102  -5.231   5.006
   62    HN3   CH   8           H3        CH   8  -2.132  -4.912   3.465
   63   1H4    CH   8          1H4        CH   8  -2.067  -5.656  -0.023
   64   2H4    CH   8          2H4        CH   8  -2.981  -5.001   1.292
   65    H5    CH   8           H5        CH   8   0.229  -6.473   0.265
   66    H6    CH   8           H6        CH   8   1.976  -6.951   1.904
   67   1H5*    G   9          1H5*        G   9   1.091 -10.544   3.301
   68   2H5*    G   9          2H5*        G   9   1.318 -12.151   4.035
   69    H4*    G   9           H4*        G   9   2.452 -11.165   1.366
   70    H3*    G   9           H3*        G   9  -0.167 -12.017   1.956
   71    H2*    G   9           H2*        G   9   0.437 -14.184   2.409
   72   2HO*    G   9          2HO*        G   9  -0.719 -13.909   0.139
   73    H1*    G   9           H1*        G   9   2.549 -14.005   0.254
   74    H8     G   9           H8         G   9   1.893 -16.800   0.258
   75    H1     G   9           H1         G   9   4.910 -17.159   5.864
   76   1H2     G   9          2H2         G   9   5.215 -15.123   6.694
   77   2H2     G   9          1H2         G   9   4.680 -13.681   5.861
   78   1H5*    C  10          1H5*        C  10  -2.329 -11.879   1.503
   79   2H5*    C  10          2H5*        C  10  -1.709 -13.543   1.581
   80    H4*    C  10           H4*        C  10  -3.863 -14.307   0.505
   81    H3*    C  10           H3*        C  10  -4.380 -11.398   0.620
   82    H2*    C  10           H2*        C  10  -6.281 -11.419   1.949
   83   2HO*    C  10          2HO*        C  10  -6.619 -13.962   0.793
   84    H1*    C  10           H1*        C  10  -5.899 -13.627   3.445
   85   1H4     C  10          2H4         C  10  -4.398  -9.585   7.958
   86   2H4     C  10          1H4         C  10  -2.698  -9.857   7.573
   87    H5     C  10           H5         C  10  -1.952 -11.036   5.505
   88    H6     C  10           H6         C  10  -2.689 -12.304   3.632
   89   1H5*    C  11          1H5*        C  11  -5.409  -8.907  -2.695
   90   2H5*    C  11          2H5*        C  11  -4.728  -9.466  -1.141
   91    H4*    C  11           H4*        C  11  -7.668  -8.920  -1.295
   92    H3*    C  11           H3*        C  11  -5.505  -6.809  -1.020
   93    H2*    C  11           H2*        C  11  -6.815  -5.738   0.648
   94   2HO*    C  11          2HO*        C  11  -8.995  -6.276   0.978
   95    H1*    C  11           H1*        C  11  -7.802  -8.144   1.706
   96   1H4     C  11          2H4         C  11  -3.709  -7.317   6.330
   97   2H4     C  11          1H4         C  11  -2.587  -8.330   5.425
   98    H5     C  11           H5         C  11  -2.959  -9.022   3.133
   99    H6     C  11           H6         C  11  -4.450  -8.856   1.220
  100   1H5*    G  12          1H5*        G  12  -8.970  -4.859  -1.580
  101   2H5*    G  12          2H5*        G  12  -8.995  -3.190  -2.174
  102    H4*    G  12           H4*        G  12  -9.687  -3.741   0.280
  103    H3*    G  12           H3*        G  12  -7.627  -1.604  -0.338
  104    H2*    G  12           H2*        G  12  -7.581  -1.100   1.977
  105   2HO*    G  12          2HO*        G  12 -10.193  -1.878   1.788
  106    H1*    G  12           H1*        G  12  -8.266  -3.737   2.734
  107    H8     G  12           H8         G  12  -5.201  -4.260   0.895
  108    H1     G  12           H1         G  12  -4.208  -3.248   7.100
  109   1H2     G  12          2H2         G  12  -6.007  -2.283   8.037
  110   2H2     G  12          1H2         G  12  -7.451  -1.889   7.104
  111   1H5*    A  13          2H5*        A  13  -8.309   0.969   1.760
  112   2H5*    A  13          1H5*        A  13  -9.685   0.206   2.580
  113    H4*    A  13           H4*        A  13  -9.291   3.203   2.226
  114    H3*    A  13           H3*        A  13  -7.970   1.570   3.993
  115    H2*    A  13           H2*        A  13  -9.611   0.742   5.328
  116   2HO*    A  13          2HO*        A  13  -8.746   2.986   6.308
  117    H1*    A  13           H1*        A  13 -11.660   2.812   5.112
  118    H8     A  13           H8         A  13 -11.901   0.229   6.659
  119   1H6     A  13          2H6         A  13 -15.180  -3.281   2.796
  120   2H6     A  13          1H6         A  13 -14.681  -3.061   4.457
  121    H2     A  13           H2         A  13 -13.331   0.056   0.422
  122   1H5*    C  14          2H5*        C  14  -6.937   3.558   6.288
  123   2H5*    C  14          1H5*        C  14  -5.890   5.005   6.337
  124    H4*    C  14           H4*        C  14  -5.056   3.231   7.815
  125    H3*    C  14           H3*        C  14  -3.445   4.119   5.470
  126    H2*    C  14           H2*        C  14  -1.873   2.365   5.623
  127   2HO*    C  14          2HO*        C  14  -1.605   1.143   7.436
  128    H1*    C  14           H1*        C  14  -3.474   0.364   6.228
  129   1H4     C  14          2H4         C  14  -3.817  -0.377   0.011
  130   2H4     C  14          1H4         C  14  -5.353   0.430   0.067
  131    H5     C  14           H5         C  14  -6.207   1.581   1.989
  132    H6     C  14           H6         C  14  -5.739   2.170   4.307
  133   1H5*    C  15          2H5*        C  15   0.044   4.744   8.391
  134   2H5*    C  15          1H5*        C  15   0.966   5.972   7.492
  135    H4*    C  15           H4*        C  15   1.835   3.459   7.846
  136    H3*    C  15           H3*        C  15   2.175   5.153   5.351
  137    H2*    C  15           H2*        C  15   3.533   3.352   4.495
  138   2HO*    C  15          2HO*        C  15   4.205   1.699   5.806
  139    H1*    C  15           H1*        C  15   1.846   1.421   5.265
  140   1H4     C  15          2H4         C  15  -0.565   2.115  -0.483
  141   2H4     C  15          1H4         C  15  -1.855   3.027   0.261
  142    H5     C  15           H5         C  15  -1.829   3.784   2.536
  143    H6     C  15           H6         C  15  -0.548   3.801   4.610
  144   1H5*    A  16          1H5*        A  16   6.306   3.621   5.939
  145   2H5*    A  16          2H5*        A  16   7.255   5.112   5.860
  146    H4*    A  16           H4*        A  16   8.155   3.328   4.394
  147    H3*    A  16           H3*        A  16   7.096   5.843   3.109
  148    H2*    A  16           H2*        A  16   7.803   5.020   0.965
  149   2HO*    A  16          2HO*        A  16   9.016   3.019   0.833
  150    H1*    A  16           H1*        A  16   6.898   2.528   1.304
  151    H8     A  16           H8         A  16   4.324   4.712   2.954
  152   1H6     A  16          2H6         A  16   1.088   3.548  -2.177
  153   2H6     A  16          1H6         A  16   1.027   4.153  -0.513
  154    H2     A  16           H2         A  16   5.411   2.455  -2.921
  155   1H5*    C  17          1H5*        C  17   9.388   8.273   0.243
  156   2H5*    C  17          2H5*        C  17   8.009   7.271   0.799
  157    H4*    C  17           H4*        C  17   9.862   5.777  -0.905
  158    H3*    C  17           H3*        C  17   8.446   8.215  -2.020
  159    H2*    C  17           H2*        C  17   7.987   6.965  -4.005
  160   2HO*    C  17          2HO*        C  17   8.945   4.906  -4.375
  161    H1*    C  17           H1*        C  17   7.329   4.667  -2.619
  162   1H4     C  17          2H4         C  17   1.461   6.596  -3.307
  163   2H4     C  17          1H4         C  17   1.557   7.236  -1.668
  164    H5     C  17           H5         C  17   3.607   7.392  -0.417
  165    H6     C  17           H6         C  17   6.052   6.979  -0.482
  166   1H5*    U  18          2H5*        U  18  11.265   9.815  -6.555
  167   2H5*    U  18          1H5*        U  18  10.136  10.615  -5.436
  168    H4*    U  18           H4*        U  18   9.489   8.183  -7.190
  169    H3*    U  18           H3*        U  18   9.170  10.945  -7.820
  170    H2*    U  18           H2*        U  18   6.833  10.987  -7.031
  171   2HO*    U  18          2HO*        U  18   5.603   9.229  -8.314
  172    H1*    U  18           H1*        U  18   6.780   8.134  -7.177
  173    H3     U  18           H3         U  18   2.568   8.936  -5.573
  174    H5     U  18           H5         U  18   5.241   9.369  -2.361
  175    H6     U  18           H6         U  18   7.037   9.496  -3.987
  176   1H5*    U  19          2H5*        U  19  11.199   6.710  -9.376
  177   2H5*    U  19          1H5*        U  19  12.199   7.327 -10.709
  178    H4*    U  19           H4*        U  19  11.498   4.896 -11.103
  179    H3*    U  19           H3*        U  19  11.354   6.947 -13.082
  180    H2*    U  19           H2*        U  19   9.044   7.151 -13.142
  181   2HO*    U  19          2HO*        U  19   8.242   5.576 -14.702
  182    H1*    U  19           H1*        U  19   8.688   4.229 -12.602
  183    H3     U  19           H3         U  19   4.241   4.632 -12.681
  184    H5     U  19           H5         U  19   5.417   8.132 -10.655
  185    H6     U  19           H6         U  19   7.711   7.504 -11.026
  186   1H5*    A  20          1H5*        A  20  14.125   3.817 -11.618
  187   2H5*    A  20          2H5*        A  20  13.729   2.279 -12.421
  188    H4*    A  20           H4*        A  20  14.710   2.080 -10.018
  189    H3*    A  20           H3*        A  20  12.328   0.778 -11.161
  190    H2*    A  20           H2*        A  20  11.229   0.305  -9.222
  191   2HO*    A  20          2HO*        A  20  13.189  -0.830  -8.489
  192    H1*    A  20           H1*        A  20  12.196   2.267  -7.487
  193    H8     A  20           H8         A  20   9.958   1.540 -10.528
  194   1H6     A  20          2H6         A  20   6.333   6.071  -8.560
  195   2H6     A  20          1H6         A  20   6.507   4.769  -9.714
  196    H2     A  20           H2         A  20   9.989   6.075  -6.008
  197   1H5*    A  21          1H5*        A  21  12.741  -4.387  -9.153
  198   2H5*    A  21          2H5*        A  21  11.746  -3.331 -10.177
  199    H4*    A  21           H4*        A  21  12.556  -2.579  -7.314
  200    H3*    A  21           H3*        A  21  10.065  -3.956  -8.340
  201    H2*    A  21           H2*        A  21   8.851  -2.576  -7.010
  202   2HO*    A  21          2HO*        A  21   9.253  -3.224  -5.021
  203    H1*    A  21           H1*        A  21  11.301  -0.903  -6.445
  204    H8     A  21           H8         A  21   8.378  -0.752  -8.984
  205   1H6     A  21          2H6         A  21   6.545   4.391  -6.107
  206   2H6     A  21          1H6         A  21   6.190   3.286  -7.425
  207    H2     A  21           H2         A  21  10.088   2.901  -3.980
  208   1H5*    A  22          2H5*        A  22  12.862  -4.662  -5.215
  209   2H5*    A  22          1H5*        A  22  12.821  -5.753  -3.816
  210    H4*    A  22           H4*        A  22  14.104  -3.683  -3.354
  211    H3*    A  22           H3*        A  22  11.589  -4.380  -1.906
  212    H2*    A  22           H2*        A  22  11.317  -2.406  -0.951
  213   2HO*    A  22          2HO*        A  22  13.856  -2.813  -0.257
  214    H1*    A  22           H1*        A  22  13.204  -0.872  -2.539
  215    H8     A  22           H8         A  22   9.901  -1.906  -4.024
  216   1H6     A  22          2H6         A  22   7.459   3.212  -1.611
  217   2H6     A  22          1H6         A  22   7.201   1.897  -2.727
  218    H2     A  22           H2         A  22  11.599   2.715   0.062
  219   1H5*    A  23          2H5*        A  23  15.144  -6.121   1.953
  220   2H5*    A  23          1H5*        A  23  13.881  -6.179   0.707
  221    H4*    A  23           H4*        A  23  14.623  -3.640   2.205
  222    H3*    A  23           H3*        A  23  12.786  -5.889   2.903
  223    H2*    A  23           H2*        A  23  10.967  -4.630   3.132
  224   2HO*    A  23          2HO*        A  23  11.354  -3.482   4.893
  225    H1*    A  23           H1*        A  23  12.083  -2.163   1.966
  226    H8     A  23           H8         A  23  10.578  -5.209  -0.027
  227   1H6     A  23          2H6         A  23   5.686  -1.621  -0.904
  228   2H6     A  23          1H6         A  23   6.404  -3.183  -1.215
  229    H2     A  23           H2         A  23   8.688   0.705   1.489
  230   1H5*    A  24          2H5*        A  24  12.879  -1.407   6.688
  231   2H5*    A  24          1H5*        A  24  13.454  -2.580   7.892
  232    H4*    A  24           H4*        A  24  11.367  -1.857   8.694
  233    H3*    A  24           H3*        A  24  11.610  -4.568   7.632
  234    H2*    A  24           H2*        A  24   9.915  -4.393   6.095
  235   2HO*    A  24          2HO*        A  24   9.072  -5.572   8.072
  236    H1*    A  24           H1*        A  24   8.559  -2.364   7.825
  237    H8     A  24           H8         A  24   8.836  -3.703   4.181
  238   1H6     A  24          1H6         A  24   4.385   0.334   2.852
  239   2H6     A  24          2H6         A  24   5.454  -0.893   2.184
  240    H2     A  24           H2         A  24   5.444   0.796   7.164
  241   1H5*    C  25          1H5*        C  25   9.630  -7.239   8.814
  242   2H5*    C  25          2H5*        C  25  10.593  -7.970  10.116
  243    H4*    C  25           H4*        C  25  11.146  -8.206   7.133
  244    H3*    C  25           H3*        C  25   9.574  -9.815   9.024
  245    H2*    C  25           H2*        C  25  10.956 -11.561   9.200
  246   2HO*    C  25          2HO*        C  25  11.699 -12.568   7.189
  247    H1*    C  25           H1*        C  25  13.053 -10.635   7.324
  248   1H4     C  25          1H4         C  25  15.551 -13.832  12.395
  249   2H4     C  25          2H4         C  25  16.341 -12.306  12.718
  250    H5     C  25           H5         C  25  15.825 -10.274  11.528
  251    H6     C  25           H6         C  25  14.436  -9.269   9.777
  252   1H5*    A  26          2H5*        A  26   5.774  -8.731   8.720
  253   2H5*    A  26          1H5*        A  26   5.506  -8.366   7.002
  254    H4*    A  26           H4*        A  26   6.650  -6.429   9.053
  255    H3*    A  26           H3*        A  26   3.901  -6.948   8.000
  256    H2*    A  26           H2*        A  26   3.484  -4.774   7.488
  257   2HO*    A  26          2HO*        A  26   3.796  -4.212   9.778
  258    H1*    A  26           H1*        A  26   6.231  -3.838   7.514
  259    H8     A  26           H8         A  26   6.448  -5.347   4.462
  260   1H6     A  26          2H6         A  26   2.719  -1.208   1.881
  261   2H6     A  26          1H6         A  26   3.995  -2.370   1.601
  262    H2     A  26           H2         A  26   1.798  -1.336   6.261
  263   1H5*    A  27          1H5*        A  27   1.498  -6.284  13.363
  264   2H5*    A  27          2H5*        A  27   1.116  -6.061  11.642
  265    H4*    A  27           H4*        A  27   3.141  -4.458  13.248
  266    H3*    A  27           H3*        A  27   0.294  -4.030  12.452
  267    H2*    A  27           H2*        A  27   0.611  -1.950  11.555
  268   2HO*    A  27          2HO*        A  27   1.624  -1.059  13.382
  269    H1*    A  27           H1*        A  27   3.195  -2.165  10.617
  270    H8     A  27           H8         A  27   1.808  -5.062   8.912
  271   1H6     A  27          2H6         A  27  -1.656  -1.483   5.387
  272   2H6     A  27          1H6         A  27  -1.076  -3.124   5.647
  273    H2     A  27           H2         A  27   0.072   1.078   8.546
  274   1H5*    C  28          2H5*        C  28  -2.941  -2.830  15.498
  275   2H5*    C  28          1H5*        C  28  -2.745  -3.374  13.822
  276    H4*    C  28           H4*        C  28  -3.314  -0.555  14.804
  277    H3*    C  28           H3*        C  28  -4.865  -2.738  13.595
  278    H2*    C  28           H2*        C  28  -5.524  -1.750  11.643
  279   2HO*    C  28          2HO*        C  28  -6.449   0.048  12.868
  280    H1*    C  28           H1*        C  28  -3.513   0.063  11.137
  281   1H4     C  28          2H4         C  28  -2.294  -4.654   7.148
  282   2H4     C  28          1H4         C  28  -0.909  -5.052   8.187
  283    H5     C  28           H5         C  28  -0.593  -4.091  10.434
  284    H6     C  28           H6         C  28  -1.494  -2.398  12.027
  285   1H5*    G  29          1H5*        G  29  -7.816  -0.382  13.916
  286   2H5*    G  29          2H5*        G  29  -9.430  -0.908  14.415
  287    H4*    G  29           H4*        G  29  -9.106  -0.599  11.939
  288    H3*    G  29           H3*        G  29  -9.658  -3.420  12.898
  289    H2*    G  29           H2*        G  29  -9.718  -4.116  10.663
  290   2HO*    G  29          2HO*        G  29 -10.788  -1.630  10.323
  291    H1*    G  29           H1*        G  29  -7.972  -2.012   9.800
  292    H8     G  29           H8         G  29  -5.884  -3.890  12.019
  293    H1     G  29           H1         G  29  -5.869  -6.156   6.058
  294   1H2     G  29          2H2         G  29  -7.717  -5.472   5.009
  295   2H2     G  29          1H2         G  29  -8.933  -4.471   5.774
  296   1H5*    G  30          1H5*        G  30 -13.298  -5.557  13.204
  297   2H5*    G  30          2H5*        G  30 -11.675  -6.287  13.185
  298    H4*    G  30           H4*        G  30 -13.762  -6.117  10.990
  299    H3*    G  30           H3*        G  30 -12.416  -8.307  12.546
  300    H2*    G  30           H2*        G  30 -12.349  -9.733  10.643
  301   2HO*    G  30          2HO*        G  30 -13.418  -8.988   8.670
  302    H1*    G  30           H1*        G  30 -11.765  -7.845   8.806
  303    H8     G  30           H8         G  30  -9.683  -7.088  11.876
  304    H1     G  30           H1         G  30  -6.657 -10.080   7.083
  305   1H2     G  30          2H2         G  30  -8.180 -10.916   5.682
  306   2H2     G  30          1H2         G  30  -9.904 -10.740   5.928
  307    H3T    G  30           H3T        G  30 -14.930  -8.358  11.249
  Start of MODEL    7
    1   1H5*    A   3          1H5*        A   3  -6.603   5.586  -8.560
    2   2H5*    A   3          2H5*        A   3  -7.803   6.798  -9.118
    3    H4*    A   3           H4*        A   3  -6.387   7.279 -11.073
    4    H3*    A   3           H3*        A   3  -4.574   5.214  -9.812
    5    H2*    A   3           H2*        A   3  -2.638   6.510 -10.168
    6   2HO*    A   3          2HO*        A   3  -4.271   7.811 -12.069
    7    H1*    A   3           H1*        A   3  -3.756   8.952  -9.470
    8    H8     A   3           H8         A   3  -5.224   7.153  -6.803
    9   1H6     A   3          2H6         A   3   0.177   7.915  -3.885
   10   2H6     A   3          1H6         A   3  -1.551   7.575  -3.686
   11    H2     A   3           H2         A   3   0.863   8.429  -8.288
   12   1H5*    G   4          1H5*        G   4  -2.465   4.952 -13.245
   13   2H5*    G   4          2H5*        G   4  -2.244   3.258 -13.723
   14    H4*    G   4           H4*        G   4  -0.144   4.496 -13.216
   15    H3*    G   4           H3*        G   4  -0.900   2.174 -11.432
   16    H2*    G   4           H2*        G   4   1.104   2.432 -10.192
   17   2HO*    G   4          2HO*        G   4   2.751   3.890 -10.968
   18    H1*    G   4           H1*        G   4   1.223   5.164 -10.392
   19    H8     G   4           H8         G   4  -2.185   4.463  -9.027
   20    H1     G   4           H1         G   4   2.495   5.440  -4.741
   21   1H2     G   4          2H2         G   4   4.457   5.178  -5.781
   22   2H2     G   4          1H2         G   4   4.596   4.747  -7.469
   23   1H5*    U   5          1H5*        U   5   1.648  -1.320 -10.802
   24   2H5*    U   5          2H5*        U   5   0.807  -0.547  -9.445
   25    H4*    U   5           H4*        U   5   3.568   0.303 -10.335
   26    H3*    U   5           H3*        U   5   2.735  -1.789  -8.311
   27    H2*    U   5           H2*        U   5   4.448  -1.018  -6.800
   28   2HO*    U   5          2HO*        U   5   5.995   0.509  -7.522
   29    H1*    U   5           H1*        U   5   4.176   1.600  -7.384
   30    H3     U   5           H3         U   5   2.463   1.966  -3.239
   31    H5     U   5           H5         U   5  -0.753   0.872  -5.701
   32    H6     U   5           H6         U   5   0.847   0.311  -7.417
   33   1H5*    G   6          1H5*        G   6   6.502  -2.446  -8.400
   34   2H5*    G   6          2H5*        G   6   7.143  -4.051  -7.984
   35    H4*    G   6           H4*        G   6   7.358  -2.283  -6.167
   36    H3*    G   6           H3*        G   6   5.594  -4.666  -5.559
   37    H2*    G   6           H2*        G   6   5.348  -3.764  -3.395
   38   2HO*    G   6          2HO*        G   6   6.834  -2.211  -2.578
   39    H1*    G   6           H1*        G   6   5.830  -1.126  -4.196
   40    H8     G   6           H8         G   6   2.659  -1.882  -5.854
   41    H1     G   6           H1         G   6   2.098   0.251   0.154
   42   1H2     G   6          2H2         G   6   4.081  -0.077   1.226
   43   2H2     G   6          1H2         G   6   5.474  -0.795   0.447
   44   1H5*    G   7          1H5*        G   7   5.567  -7.722  -3.026
   45   2H5*    G   7          2H5*        G   7   5.177  -6.352  -4.097
   46    H4*    G   7           H4*        G   7   6.659  -5.342  -1.860
   47    H3*    G   7           H3*        G   7   4.603  -7.387  -1.076
   48    H2*    G   7           H2*        G   7   3.708  -5.953   0.525
   49   2HO*    G   7          2HO*        G   7   4.898  -4.249   1.434
   50    H1*    G   7           H1*        G   7   4.460  -3.556  -0.727
   51    H8     G   7           H8         G   7   2.423  -5.009  -3.283
   52    H1     G   7           H1         G   7  -1.185  -2.055   1.108
   53   1H2     G   7          2H2         G   7   0.031  -1.830   3.029
   54   2H2     G   7          1H2         G   7   1.678  -2.398   3.196
   55   1H5*   CH   8          1H5*       CH   8   3.346  -9.261   1.836
   56   2H5*   CH   8          2H5*       CH   8   4.985  -9.547   2.452
   57    H4*   CH   8           H4*       CH   8   4.677  -8.152   4.312
   58    H3*   CH   8           H3*       CH   8   2.170  -9.697   3.687
   59    H2*   CH   8           H2*       CH   8   1.191  -8.782   5.699
   60   2HO*   CH   8          2HO*       CH   8   3.864  -8.190   6.228
   61    H1*   CH   8           H1*       CH   8   1.909  -6.300   5.216
   62    HN3   CH   8           H3        CH   8  -2.215  -5.528   3.712
   63   1H4    CH   8          1H4        CH   8  -3.107  -5.449   1.552
   64   2H4    CH   8          2H4        CH   8  -2.281  -6.143   0.198
   65    H5    CH   8           H5        CH   8  -0.072  -7.137   0.404
   66    H6    CH   8           H6        CH   8   1.640  -7.877   1.975
   67   1H5*    G   9          1H5*        G   9   3.722 -13.574   2.533
   68   2H5*    G   9          2H5*        G   9   3.254 -12.561   1.142
   69    H4*    G   9           H4*        G   9   1.701 -14.530   1.873
   70    H3*    G   9           H3*        G   9   1.144 -12.093   0.665
   71    H2*    G   9           H2*        G   9   0.568 -11.012   2.497
   72   2HO*    G   9          2HO*        G   9  -1.988 -11.652   2.713
   73    H1*    G   9           H1*        G   9  -0.877 -13.504   3.414
   74    H8     G   9           H8         G   9  -0.050 -10.010   4.357
   75    H1     G   9           H1         G   9  -1.369 -13.448   9.558
   76   1H2     G   9          1H2         G   9  -1.465 -15.602   9.042
   77   2H2     G   9          2H2         G   9  -1.206 -16.192   7.416
   78   1H5*    C  10          1H5*        C  10  -2.988 -12.231   0.792
   79   2H5*    C  10          2H5*        C  10  -2.374 -13.845   1.188
   80    H4*    C  10           H4*        C  10  -4.432 -14.709  -0.188
   81    H3*    C  10           H3*        C  10  -5.022 -11.819   0.055
   82    H2*    C  10           H2*        C  10  -7.001 -11.965   1.272
   83   2HO*    C  10          2HO*        C  10  -7.136 -14.506   0.061
   84    H1*    C  10           H1*        C  10  -6.556 -14.147   2.758
   85   1H4     C  10          2H4         C  10  -4.857 -10.099   7.255
   86   2H4     C  10          1H4         C  10  -3.183 -10.405   6.792
   87    H5     C  10           H5         C  10  -2.565 -11.563   4.742
   88    H6     C  10           H6         C  10  -3.346 -12.814   2.884
   89   1H5*    C  11          2H5*        C  11  -7.310 -10.361  -2.878
   90   2H5*    C  11          1H5*        C  11  -6.188  -8.973  -2.891
   91    H4*    C  11           H4*        C  11  -8.246  -9.658  -0.983
   92    H3*    C  11           H3*        C  11  -6.294  -7.346  -1.221
   93    H2*    C  11           H2*        C  11  -6.893  -6.687   0.928
   94   2HO*    C  11          2HO*        C  11  -9.350  -7.649   0.124
   95    H1*    C  11           H1*        C  11  -7.731  -9.336   1.694
   96   1H4     C  11          2H4         C  11  -3.351  -8.184   6.077
   97   2H4     C  11          1H4         C  11  -2.320  -9.272   5.155
   98    H5     C  11           H5         C  11  -2.865 -10.063   2.955
   99    H6     C  11           H6         C  11  -4.504  -9.983   1.154
  100   1H5*    G  12          1H5*        G  12  -8.165  -2.719  -1.808
  101   2H5*    G  12          2H5*        G  12  -6.953  -3.885  -1.190
  102    H4*    G  12           H4*        G  12  -9.479  -3.328   0.361
  103    H3*    G  12           H3*        G  12  -7.032  -1.535   0.287
  104    H2*    G  12           H2*        G  12  -7.314  -1.180   2.625
  105   2HO*    G  12          2HO*        G  12  -9.224  -1.813   3.691
  106    H1*    G  12           H1*        G  12  -8.232  -3.763   3.106
  107    H8     G  12           H8         G  12  -5.238  -4.488   1.210
  108    H1     G  12           H1         G  12  -4.073  -3.773   7.424
  109   1H2     G  12          2H2         G  12  -5.764  -2.682   8.412
  110   2H2     G  12          1H2         G  12  -7.181  -2.136   7.511
  111   1H5*    A  13          1H5*        A  13  -9.490   2.613   1.808
  112   2H5*    A  13          2H5*        A  13  -8.330   3.298   0.657
  113    H4*    A  13           H4*        A  13  -7.685   2.573   3.533
  114    H3*    A  13           H3*        A  13  -9.259   4.660   2.792
  115    H2*    A  13           H2*        A  13  -7.825   5.542   1.168
  116   2HO*    A  13          2HO*        A  13  -6.563   7.270   2.361
  117    H1*    A  13           H1*        A  13  -5.511   5.281   3.035
  118    H8     A  13           H8         A  13  -5.465   3.443  -0.240
  119   1H6     A  13          1H6         A  13  -2.366   8.185  -2.658
  120   2H6     A  13          2H6         A  13  -2.918   6.548  -2.926
  121    H2     A  13           H2         A  13  -3.816   9.401   1.418
  122   1H5*    C  14          1H5*        C  14  -5.555   2.628   4.418
  123   2H5*    C  14          2H5*        C  14  -6.745   1.595   5.266
  124    H4*    C  14           H4*        C  14  -5.124   1.858   7.304
  125    H3*    C  14           H3*        C  14  -3.460   2.873   5.053
  126    H2*    C  14           H2*        C  14  -1.736   1.286   5.267
  127   2HO*    C  14          2HO*        C  14  -1.375   0.146   7.147
  128    H1*    C  14           H1*        C  14  -3.089  -0.872   5.887
  129   1H4     C  14          2H4         C  14  -3.002  -1.866  -0.290
  130   2H4     C  14          1H4         C  14  -4.633  -1.271  -0.350
  131    H5     C  14           H5         C  14  -5.735  -0.182   1.461
  132    H6     C  14           H6         C  14  -5.506   0.523   3.780
  133   1H5*    C  15          1H5*        C  15  -0.466   2.030   7.941
  134   2H5*    C  15          2H5*        C  15   0.210   3.571   8.456
  135    H4*    C  15           H4*        C  15   2.033   2.029   8.149
  136    H3*    C  15           H3*        C  15   1.854   3.969   5.825
  137    H2*    C  15           H2*        C  15   3.898   2.941   5.000
  138   2HO*    C  15          2HO*        C  15   4.856   1.229   6.208
  139    H1*    C  15           H1*        C  15   3.040   0.472   5.330
  140   1H4     C  15          2H4         C  15  -0.145   0.923  -0.110
  141   2H4     C  15          1H4         C  15  -1.471   1.647   0.766
  142    H5     C  15           H5         C  15  -1.322   2.385   3.061
  143    H6     C  15           H6         C  15   0.111   2.456   5.017
  144   1H5*    A  16          1H5*        A  16   6.300   3.870   6.374
  145   2H5*    A  16          2H5*        A  16   6.679   5.576   6.127
  146    H4*    A  16           H4*        A  16   7.863   3.959   4.578
  147    H3*    A  16           H3*        A  16   6.115   6.139   3.401
  148    H2*    A  16           H2*        A  16   6.884   5.446   1.225
  149   2HO*    A  16          2HO*        A  16   8.496   3.790   1.029
  150    H1*    A  16           H1*        A  16   6.527   2.853   1.641
  151    H8     A  16           H8         A  16   3.626   4.462   3.432
  152   1H6     A  16          2H6         A  16   0.631   2.435  -1.624
  153   2H6     A  16          1H6         A  16   0.429   3.041   0.031
  154    H2     A  16           H2         A  16   5.036   2.346  -2.435
  155   1H5*    C  17          2H5*        C  17   9.890   6.851   1.059
  156   2H5*    C  17          1H5*        C  17   9.544   8.437   0.322
  157    H4*    C  17           H4*        C  17   9.524   6.014  -0.981
  158    H3*    C  17           H3*        C  17   7.926   8.495  -1.694
  159    H2*    C  17           H2*        C  17   7.290   7.275  -3.654
  160   2HO*    C  17          2HO*        C  17   8.422   5.411  -4.283
  161    H1*    C  17           H1*        C  17   7.158   4.851  -2.265
  162   1H4     C  17          2H4         C  17   0.972   5.969  -2.901
  163   2H4     C  17          1H4         C  17   0.986   6.407  -1.194
  164    H5     C  17           H5         C  17   3.048   6.746   0.085
  165    H6     C  17           H6         C  17   5.488   6.605  -0.021
  166   1H5*    U  18          2H5*        U  18  10.384  10.023  -6.646
  167   2H5*    U  18          1H5*        U  18   9.147  10.741  -5.598
  168    H4*    U  18           H4*        U  18   8.773   8.279  -7.409
  169    H3*    U  18           H3*        U  18   8.228  11.022  -7.887
  170    H2*    U  18           H2*        U  18   5.915  10.876  -7.048
  171   2HO*    U  18          2HO*        U  18   6.149   9.549  -9.474
  172    H1*    U  18           H1*        U  18   5.988   8.042  -7.438
  173    H3     U  18           H3         U  18   1.792   8.375  -5.711
  174    H5     U  18           H5         U  18   4.492   8.734  -2.515
  175    H6     U  18           H6         U  18   6.236   9.145  -4.149
  176   1H5*    U  19          2H5*        U  19  10.304   7.231 -11.584
  177   2H5*    U  19          1H5*        U  19   9.054   8.441 -11.772
  178    H4*    U  19           H4*        U  19   8.827   5.437 -12.327
  179    H3*    U  19           H3*        U  19   8.745   7.786 -14.133
  180    H2*    U  19           H2*        U  19   6.455   8.056 -13.949
  181   2HO*    U  19          2HO*        U  19   5.394   6.685 -15.484
  182    H1*    U  19           H1*        U  19   6.191   5.123 -13.483
  183    H3     U  19           H3         U  19   1.668   5.765 -13.560
  184    H5     U  19           H5         U  19   3.059   8.035 -10.272
  185    H6     U  19           H6         U  19   5.286   7.711 -11.144
  186   1H5*    A  20          2H5*        A  20  11.898   2.553 -14.813
  187   2H5*    A  20          1H5*        A  20  10.242   1.945 -14.632
  188    H4*    A  20           H4*        A  20  12.102   3.034 -12.496
  189    H3*    A  20           H3*        A  20  10.723   0.439 -13.101
  190    H2*    A  20           H2*        A  20   9.715   0.234 -11.142
  191   2HO*    A  20          2HO*        A  20  12.209   1.060 -10.091
  192    H1*    A  20           H1*        A  20  10.569   2.822 -10.028
  193    H8     A  20           H8         A  20   7.697   0.848 -11.771
  194   1H6     A  20          1H6         A  20   3.665   3.938  -8.423
  195   2H6     A  20          2H6         A  20   3.900   2.675  -9.606
  196    H2     A  20           H2         A  20   7.677   5.472  -7.310
  197   1H5*    A  21          2H5*        A  21  14.827   2.255  -8.725
  198   2H5*    A  21          1H5*        A  21  15.144   0.700  -9.521
  199    H4*    A  21           H4*        A  21  14.202   0.660  -7.107
  200    H3*    A  21           H3*        A  21  13.307  -0.893  -9.507
  201    H2*    A  21           H2*        A  21  11.141  -0.894  -8.945
  202   2HO*    A  21          2HO*        A  21  12.206  -2.210  -6.655
  203    H1*    A  21           H1*        A  21  11.762   0.104  -6.179
  204    H8     A  21           H8         A  21   9.010  -0.531  -8.530
  205   1H6     A  21          2H6         A  21   5.815   3.892  -5.476
  206   2H6     A  21          1H6         A  21   5.629   2.554  -6.623
  207    H2     A  21           H2         A  21  10.002   4.170  -4.295
  208   1H5*    A  22          1H5*        A  22  14.323  -3.911  -4.042
  209   2H5*    A  22          2H5*        A  22  12.578  -3.701  -3.895
  210    H4*    A  22           H4*        A  22  14.749  -1.607  -3.539
  211    H3*    A  22           H3*        A  22  12.976  -3.160  -1.738
  212    H2*    A  22           H2*        A  22  11.902  -1.403  -0.877
  213   2HO*    A  22          2HO*        A  22  13.842  -1.028   0.347
  214    H1*    A  22           H1*        A  22  13.219   0.686  -2.508
  215    H8     A  22           H8         A  22  10.152  -1.099  -3.754
  216   1H6     A  22          2H6         A  22   6.792   3.397  -1.316
  217   2H6     A  22          1H6         A  22   6.775   1.980  -2.337
  218    H2     A  22           H2         A  22  11.036   3.929   0.099
  219   1H5*    A  23          2H5*        A  23  16.071  -4.964   1.915
  220   2H5*    A  23          1H5*        A  23  14.672  -5.075   0.828
  221    H4*    A  23           H4*        A  23  15.588  -2.511   2.183
  222    H3*    A  23           H3*        A  23  13.904  -4.749   3.131
  223    H2*    A  23           H2*        A  23  11.960  -3.642   3.250
  224   2HO*    A  23          2HO*        A  23  12.880  -2.559   5.105
  225    H1*    A  23           H1*        A  23  12.840  -1.086   2.121
  226    H8     A  23           H8         A  23  11.578  -4.244   0.091
  227   1H6     A  23          1H6         A  23   6.403  -1.079  -0.714
  228   2H6     A  23          2H6         A  23   7.268  -2.553  -1.073
  229    H2     A  23           H2         A  23   9.177   1.468   1.730
  230   1H5*    A  24          1H5*        A  24  13.629  -1.909   7.360
  231   2H5*    A  24          2H5*        A  24  14.079  -3.403   8.209
  232    H4*    A  24           H4*        A  24  12.037  -2.474   9.167
  233    H3*    A  24           H3*        A  24  12.242  -5.127   8.002
  234    H2*    A  24           H2*        A  24  10.623  -4.827   6.394
  235   2HO*    A  24          2HO*        A  24   9.701  -6.096   8.307
  236    H1*    A  24           H1*        A  24   9.194  -2.901   8.185
  237    H8     A  24           H8         A  24   9.688  -4.008   4.474
  238   1H6     A  24          2H6         A  24   5.257   0.000   3.146
  239   2H6     A  24          1H6         A  24   6.365  -1.197   2.510
  240    H2     A  24           H2         A  24   6.100   0.324   7.546
  241   1H5*    C  25          1H5*        C  25   9.126  -7.956   8.399
  242   2H5*    C  25          2H5*        C  25   9.305  -7.894  10.164
  243    H4*    C  25           H4*        C  25  10.868  -9.725   8.304
  244    H3*    C  25           H3*        C  25   8.267  -9.984   9.684
  245    H2*    C  25           H2*        C  25   8.735 -11.779  10.991
  246   2HO*    C  25          2HO*        C  25   9.430 -12.897   8.944
  247    H1*    C  25           H1*        C  25  11.505 -11.644  11.200
  248   1H4     C  25          1H4         C  25   8.072  -8.829  16.204
  249   2H4     C  25          2H4         C  25   9.606  -9.289  16.910
  250    H5     C  25           H5         C  25  11.409 -10.205  15.638
  251    H6     C  25           H6         C  25  12.150 -10.941  13.407
  252   1H5*    A  26          2H5*        A  26   6.511  -9.328   8.518
  253   2H5*    A  26          1H5*        A  26   6.151  -8.677   6.905
  254    H4*    A  26           H4*        A  26   7.223  -7.116   9.287
  255    H3*    A  26           H3*        A  26   4.560  -7.457   7.990
  256    H2*    A  26           H2*        A  26   4.088  -5.226   7.891
  257   2HO*    A  26          2HO*        A  26   4.407  -5.008  10.217
  258    H1*    A  26           H1*        A  26   6.763  -4.210   7.928
  259    H8     A  26           H8         A  26   6.997  -5.762   4.841
  260   1H6     A  26          2H6         A  26   3.037  -1.840   2.293
  261   2H6     A  26          1H6         A  26   4.318  -2.991   2.000
  262    H2     A  26           H2         A  26   2.271  -1.862   6.691
  263   1H5*    A  27          2H5*        A  27   2.036  -7.356  13.518
  264   2H5*    A  27          1H5*        A  27   1.385  -7.092  11.886
  265    H4*    A  27           H4*        A  27   3.492  -5.452  13.329
  266    H3*    A  27           H3*        A  27   0.638  -5.056  12.505
  267    H2*    A  27           H2*        A  27   0.980  -2.937  11.691
  268   2HO*    A  27          2HO*        A  27   2.203  -2.453  13.758
  269    H1*    A  27           H1*        A  27   3.573  -3.173  10.777
  270    H8     A  27           H8         A  27   2.196  -5.936   8.896
  271   1H6     A  27          2H6         A  27  -1.171  -2.176   5.503
  272   2H6     A  27          1H6         A  27  -0.626  -3.837   5.710
  273    H2     A  27           H2         A  27   0.434   0.211   8.852
  274   1H5*    C  28          2H5*        C  28  -2.683  -3.979  15.380
  275   2H5*    C  28          1H5*        C  28  -2.385  -4.127  13.638
  276    H4*    C  28           H4*        C  28  -2.942  -1.559  15.180
  277    H3*    C  28           H3*        C  28  -4.585  -3.468  13.673
  278    H2*    C  28           H2*        C  28  -5.207  -2.206  11.877
  279   2HO*    C  28          2HO*        C  28  -4.678   0.168  13.363
  280    H1*    C  28           H1*        C  28  -3.162  -0.414  11.570
  281   1H4     C  28          2H4         C  28  -2.041  -5.059   7.352
  282   2H4     C  28          1H4         C  28  -0.631  -5.459   8.344
  283    H5     C  28           H5         C  28  -0.242  -4.507  10.563
  284    H6     C  28           H6         C  28  -1.148  -2.897  12.252
  285   1H5*    G  29          1H5*        G  29  -6.869  -1.118  13.716
  286   2H5*    G  29          2H5*        G  29  -8.613  -1.035  14.031
  287    H4*    G  29           H4*        G  29  -8.274  -1.143  11.663
  288    H3*    G  29           H3*        G  29  -8.950  -3.918  12.693
  289    H2*    G  29           H2*        G  29  -8.900  -4.673  10.493
  290   2HO*    G  29          2HO*        G  29  -9.979  -2.210  10.027
  291    H1*    G  29           H1*        G  29  -7.159  -2.538   9.658
  292    H8     G  29           H8         G  29  -4.936  -4.385  11.703
  293    H1     G  29           H1         G  29  -5.492  -6.988   5.909
  294   1H2     G  29          2H2         G  29  -7.407  -6.322   4.975
  295   2H2     G  29          1H2         G  29  -8.533  -5.245   5.775
  296   1H5*    G  30          1H5*        G  30 -12.917  -5.752  13.019
  297   2H5*    G  30          2H5*        G  30 -11.412  -6.667  12.783
  298    H4*    G  30           H4*        G  30 -13.770  -6.260  10.923
  299    H3*    G  30           H3*        G  30 -12.428  -8.558  12.295
  300    H2*    G  30           H2*        G  30 -12.686 -10.002  10.425
  301   2HO*    G  30          2HO*        G  30 -13.927  -9.189   8.578
  302    H1*    G  30           H1*        G  30 -12.147  -8.226   8.484
  303    H8     G  30           H8         G  30  -9.861  -7.497  11.420
  304    H1     G  30           H1         G  30  -7.157 -10.547   6.481
  305   1H2     G  30          2H2         G  30  -8.753 -11.351   5.146
  306   2H2     G  30          1H2         G  30 -10.463 -11.140   5.469
  307    H3T    G  30           H3T        G  30 -14.586  -9.249  12.361
  Start of MODEL    8
    1   1H5*    A   3          1H5*        A   3  -5.468   8.108 -10.468
    2   2H5*    A   3          2H5*        A   3  -6.261   9.503 -11.260
    3    H4*    A   3           H4*        A   3  -4.324   9.737 -12.764
    4    H3*    A   3           H3*        A   3  -3.322   7.365 -11.191
    5    H2*    A   3           H2*        A   3  -1.154   8.234 -10.973
    6   2HO*    A   3          2HO*        A   3  -0.328   9.771 -12.286
    7    H1*    A   3           H1*        A   3  -1.889  10.855 -10.507
    8    H8     A   3           H8         A   3  -4.251   9.415  -8.239
    9   1H6     A   3          2H6         A   3   0.604   9.276  -4.271
   10   2H6     A   3          1H6         A   3  -1.172   9.236  -4.355
   11    H2     A   3           H2         A   3   2.119   9.579  -8.461
   12   1H5*    G   4          1H5*        G   4  -4.103   3.924 -11.550
   13   2H5*    G   4          2H5*        G   4  -4.540   5.137 -10.292
   14    H4*    G   4           H4*        G   4  -1.919   5.437 -11.655
   15    H3*    G   4           H3*        G   4  -2.525   3.291  -9.600
   16    H2*    G   4           H2*        G   4  -0.580   3.655  -8.431
   17   2HO*    G   4          2HO*        G   4   0.400   4.446 -10.849
   18    H1*    G   4           H1*        G   4  -0.412   6.336  -9.030
   19    H8     G   4           H8         G   4  -3.494   6.088  -7.050
   20    H1     G   4           H1         G   4   2.040   6.212  -3.778
   21   1H2     G   4          2H2         G   4   3.701   5.600  -5.141
   22   2H2     G   4          1H2         G   4   3.441   5.160  -6.817
   23   1H5*    U   5          1H5*        U   5   2.655   1.361 -12.243
   24   2H5*    U   5          2H5*        U   5   2.245  -0.339 -12.170
   25    H4*    U   5           H4*        U   5   3.961   0.629 -10.524
   26    H3*    U   5           H3*        U   5   1.798  -1.016  -9.219
   27    H2*    U   5           H2*        U   5   3.394  -0.914  -7.318
   28   2HO*    U   5          2HO*        U   5   5.127  -0.346  -9.425
   29    H1*    U   5           H1*        U   5   4.088   1.672  -7.903
   30    H3     U   5           H3         U   5   2.389   2.475  -3.784
   31    H5     U   5           H5         U   5  -0.852   2.631  -6.427
   32    H6     U   5           H6         U   5   0.542   1.604  -8.099
   33   1H5*    G   6          1H5*        G   6   5.231  -2.503  -8.565
   34   2H5*    G   6          2H5*        G   6   5.543  -4.201  -8.145
   35    H4*    G   6           H4*        G   6   6.011  -2.568  -6.296
   36    H3*    G   6           H3*        G   6   3.716  -4.490  -5.839
   37    H2*    G   6           H2*        G   6   3.502  -3.593  -3.678
   38   2HO*    G   6          2HO*        G   6   6.219  -3.363  -3.943
   39    H1*    G   6           H1*        G   6   4.632  -1.118  -4.373
   40    H8     G   6           H8         G   6   1.488  -1.110  -6.233
   41    H1     G   6           H1         G   6   1.065   0.931  -0.176
   42   1H2     G   6          2H2         G   6   2.878   0.148   0.962
   43   2H2     G   6          1H2         G   6   4.113  -0.840   0.216
   44   1H5*    G   7          1H5*        G   7   7.453  -7.436  -1.875
   45   2H5*    G   7          2H5*        G   7   5.824  -7.880  -2.419
   46    H4*    G   7           H4*        G   7   6.694  -5.653  -0.546
   47    H3*    G   7           H3*        G   7   4.903  -8.076  -0.225
   48    H2*    G   7           H2*        G   7   3.668  -6.888   1.394
   49   2HO*    G   7          2HO*        G   7   4.625  -4.956   2.358
   50    H1*    G   7           H1*        G   7   4.387  -4.353   0.340
   51    H8     G   7           H8         G   7   2.438  -5.947  -2.304
   52    H1     G   7           H1         G   7  -1.075  -2.249   1.592
   53   1H2     G   7          2H2         G   7   0.071  -1.970   3.552
   54   2H2     G   7          1H2         G   7   1.645  -2.676   3.853
   55   1H5*   CH   8          1H5*       CH   8   3.263  -9.277   2.677
   56   2H5*   CH   8          2H5*       CH   8   4.528 -10.038   3.654
   57    H4*   CH   8           H4*       CH   8   4.176  -8.373   5.434
   58    H3*   CH   8           H3*       CH   8   1.771  -9.916   4.470
   59    H2*   CH   8           H2*       CH   8   0.563  -8.979   6.349
   60   2HO*   CH   8          2HO*       CH   8   3.159  -8.433   7.187
   61    H1*   CH   8           H1*       CH   8   1.407  -6.514   5.923
   62    HN3   CH   8           H3        CH   8  -2.479  -5.543   4.009
   63   1H4    CH   8          1H4        CH   8  -2.331  -6.318   0.540
   64   2H4    CH   8          2H4        CH   8  -3.205  -5.517   1.802
   65    H5    CH   8           H5        CH   8  -0.189  -7.457   0.967
   66    H6    CH   8           H6        CH   8   1.335  -8.214   2.709
   67   1H5*    G   9          1H5*        G   9   2.889 -13.814   3.529
   68   2H5*    G   9          2H5*        G   9   3.967 -12.416   3.764
   69    H4*    G   9           H4*        G   9   2.757 -11.276   1.902
   70    H3*    G   9           H3*        G   9   0.686 -13.015   2.420
   71    H2*    G   9           H2*        G   9   1.741 -14.921   1.635
   72   2HO*    G   9          2HO*        G   9   0.970 -14.229  -0.957
   73    H1*    G   9           H1*        G   9   2.910 -13.441  -0.709
   74    H8     G   9           H8         G   9   3.467 -15.755  -1.886
   75    H1     G   9           H1         G   9   6.548 -17.866   3.284
   76   1H2     G   9          2H2         G   9   6.212 -16.480   4.983
   77   2H2     G   9          1H2         G   9   5.227 -15.043   4.844
   78   1H5*    C  10          1H5*        C  10  -1.231 -12.470   1.211
   79   2H5*    C  10          2H5*        C  10  -0.844 -14.204   1.062
   80    H4*    C  10           H4*        C  10  -3.124 -14.516   0.003
   81    H3*    C  10           H3*        C  10  -3.243 -11.594   0.601
   82    H2*    C  10           H2*        C  10  -5.305 -11.671   1.734
   83   2HO*    C  10          2HO*        C  10  -6.745 -13.333   1.535
   84    H1*    C  10           H1*        C  10  -5.020 -13.969   3.035
   85   1H4     C  10          2H4         C  10  -3.199 -10.271   7.739
   86   2H4     C  10          1H4         C  10  -1.529 -10.684   7.348
   87    H5     C  10           H5         C  10  -0.877 -11.829   5.230
   88    H6     C  10           H6         C  10  -1.710 -12.947   3.305
   89   1H5*    C  11          1H5*        C  11  -6.321 -11.380  -1.494
   90   2H5*    C  11          2H5*        C  11  -6.583 -10.064  -2.640
   91    H4*    C  11           H4*        C  11  -7.767  -9.737  -0.482
   92    H3*    C  11           H3*        C  11  -5.539  -7.736  -0.989
   93    H2*    C  11           H2*        C  11  -6.260  -6.631   0.959
   94   2HO*    C  11          2HO*        C  11  -8.701  -7.493   0.081
   95    H1*    C  11           H1*        C  11  -7.352  -9.070   2.047
   96   1H4     C  11          2H4         C  11  -3.299  -8.137   6.710
   97   2H4     C  11          1H4         C  11  -2.215  -9.239   5.864
   98    H5     C  11           H5         C  11  -2.625 -10.027   3.586
   99    H6     C  11           H6         C  11  -4.069  -9.851   1.663
  100   1H5*    G  12          1H5*        G  12  -7.103  -3.046  -2.037
  101   2H5*    G  12          2H5*        G  12  -6.182  -4.140  -0.960
  102    H4*    G  12           H4*        G  12  -8.981  -3.186  -0.291
  103    H3*    G  12           H3*        G  12  -6.387  -1.696   0.149
  104    H2*    G  12           H2*        G  12  -7.244  -0.955   2.268
  105   2HO*    G  12          2HO*        G  12  -9.396  -1.398   2.868
  106    H1*    G  12           H1*        G  12  -8.323  -3.391   2.908
  107    H8     G  12           H8         G  12  -5.247  -4.424   1.278
  108    H1     G  12           H1         G  12  -4.452  -3.557   7.536
  109   1H2     G  12          2H2         G  12  -6.114  -2.322   8.392
  110   2H2     G  12          1H2         G  12  -7.434  -1.708   7.393
  111   1H5*    A  13          2H5*        A  13  -8.261   1.860  -0.337
  112   2H5*    A  13          1H5*        A  13  -7.426   2.921  -1.487
  113    H4*    A  13           H4*        A  13  -6.208   2.109   1.177
  114    H3*    A  13           H3*        A  13  -8.503   3.588   1.005
  115    H2*    A  13           H2*        A  13  -7.800   5.284  -0.385
  116   2HO*    A  13          2HO*        A  13  -7.025   5.972   2.251
  117    H1*    A  13           H1*        A  13  -5.114   5.530   0.821
  118    H8     A  13           H8         A  13  -7.015   4.876  -2.499
  119   1H6     A  13          1H6         A  13  -3.117   8.886  -5.056
  120   2H6     A  13          2H6         A  13  -4.508   7.863  -5.325
  121    H2     A  13           H2         A  13  -1.936   8.355  -0.747
  122   1H5*    C  14          2H5*        C  14  -6.623   2.788   6.056
  123   2H5*    C  14          1H5*        C  14  -5.468   4.105   5.739
  124    H4*    C  14           H4*        C  14  -4.773   2.346   7.438
  125    H3*    C  14           H3*        C  14  -3.104   3.243   5.136
  126    H2*    C  14           H2*        C  14  -1.494   1.520   5.398
  127   2HO*    C  14          2HO*        C  14  -1.232   0.415   7.315
  128    H1*    C  14           H1*        C  14  -3.036  -0.487   6.117
  129   1H4     C  14          2H4         C  14  -2.806  -2.024   0.096
  130   2H4     C  14          1H4         C  14  -4.365  -1.282  -0.100
  131    H5     C  14           H5         C  14  -5.433   0.080   1.565
  132    H6     C  14           H6         C  14  -5.216   0.987   3.829
  133   1H5*    C  15          1H5*        C  15  -0.845   3.028   8.018
  134   2H5*    C  15          2H5*        C  15   0.410   4.030   8.736
  135    H4*    C  15           H4*        C  15   1.477   2.088   7.827
  136    H3*    C  15           H3*        C  15   1.831   4.396   5.875
  137    H2*    C  15           H2*        C  15   3.277   2.897   4.655
  138   2HO*    C  15          2HO*        C  15   3.864   0.879   5.544
  139    H1*    C  15           H1*        C  15   1.626   0.752   5.048
  140   1H4     C  15          2H4         C  15  -0.951   2.095  -0.513
  141   2H4     C  15          1H4         C  15  -2.129   3.070   0.330
  142    H5     C  15           H5         C  15  -1.964   3.661   2.653
  143    H6     C  15           H6         C  15  -0.631   3.411   4.677
  144   1H5*    A  16          1H5*        A  16   6.128   2.701   6.238
  145   2H5*    A  16          2H5*        A  16   7.009   4.222   6.043
  146    H4*    A  16           H4*        A  16   7.591   2.324   4.435
  147    H3*    A  16           H3*        A  16   6.781   5.047   3.386
  148    H2*    A  16           H2*        A  16   7.452   4.236   1.201
  149   2HO*    A  16          2HO*        A  16   8.459   2.148   1.013
  150    H1*    A  16           H1*        A  16   6.249   1.863   1.448
  151    H8     A  16           H8         A  16   3.849   4.291   3.050
  152   1H6     A  16          2H6         A  16   0.746   3.510  -2.247
  153   2H6     A  16          1H6         A  16   0.663   4.106  -0.580
  154    H2     A  16           H2         A  16   4.949   1.996  -2.826
  155   1H5*    C  17          1H5*        C  17   9.465   7.749   0.917
  156   2H5*    C  17          2H5*        C  17   7.928   6.956   1.376
  157    H4*    C  17           H4*        C  17   9.555   5.487  -0.617
  158    H3*    C  17           H3*        C  17   8.244   8.144  -1.269
  159    H2*    C  17           H2*        C  17   7.507   7.211  -3.348
  160   2HO*    C  17          2HO*        C  17   8.308   5.164  -4.071
  161    H1*    C  17           H1*        C  17   6.798   4.743  -2.192
  162   1H4     C  17          2H4         C  17   0.997   6.984  -1.714
  163   2H4     C  17          1H4         C  17   1.407   7.402  -0.054
  164    H5     C  17           H5         C  17   3.567   7.308   0.824
  165    H6     C  17           H6         C  17   5.927   6.905   0.381
  166   1H5*    U  18          2H5*        U  18  11.286   9.595  -5.983
  167   2H5*    U  18          1H5*        U  18  10.144  10.463  -4.939
  168    H4*    U  18           H4*        U  18   9.426   8.165  -6.836
  169    H3*    U  18           H3*        U  18   9.404  10.974  -7.320
  170    H2*    U  18           H2*        U  18   7.038  11.198  -6.658
  171   2HO*    U  18          2HO*        U  18   5.755   9.644  -8.151
  172    H1*    U  18           H1*        U  18   6.738   8.390  -7.037
  173    H3     U  18           H3         U  18   2.534   9.420  -5.815
  174    H5     U  18           H5         U  18   4.837   9.390  -2.294
  175    H6     U  18           H6         U  18   6.827   9.448  -3.764
  176   1H5*    U  19          2H5*        U  19  10.715   7.276  -9.374
  177   2H5*    U  19          1H5*        U  19  11.928   7.724 -10.573
  178    H4*    U  19           H4*        U  19  10.941   5.539 -11.221
  179    H3*    U  19           H3*        U  19  11.041   7.773 -13.015
  180    H2*    U  19           H2*        U  19   8.757   8.181 -13.117
  181   2HO*    U  19          2HO*        U  19   9.402   7.254 -15.161
  182    H1*    U  19           H1*        U  19   8.140   5.271 -12.771
  183    H3     U  19           H3         U  19   3.733   5.953 -12.778
  184    H5     U  19           H5         U  19   5.131   9.263 -10.580
  185    H6     U  19           H6         U  19   7.378   8.527 -11.016
  186   1H5*    A  20          1H5*        A  20   9.927   1.714 -14.587
  187   2H5*    A  20          2H5*        A  20   8.283   2.372 -14.601
  188    H4*    A  20           H4*        A  20  10.147   2.011 -12.237
  189    H3*    A  20           H3*        A  20   7.593   0.729 -13.121
  190    H2*    A  20           H2*        A  20   6.659   0.824 -11.061
  191   2HO*    A  20          2HO*        A  20   9.277   0.724  -9.942
  192    H1*    A  20           H1*        A  20   8.423   2.799  -9.888
  193    H8     A  20           H8         A  20   5.273   2.209 -12.066
  194   1H6     A  20          2H6         A  20   2.412   6.339  -8.619
  195   2H6     A  20          1H6         A  20   2.249   5.192  -9.927
  196    H2     A  20           H2         A  20   6.566   6.163  -7.171
  197   1H5*    A  21          1H5*        A  21   7.467  -2.750  -9.963
  198   2H5*    A  21          2H5*        A  21   8.196  -1.154 -10.144
  199    H4*    A  21           H4*        A  21  10.067  -3.205  -9.329
  200    H3*    A  21           H3*        A  21   7.632  -3.151  -7.807
  201    H2*    A  21           H2*        A  21   8.099  -1.925  -6.022
  202   2HO*    A  21          2HO*        A  21  10.774  -2.900  -6.111
  203    H1*    A  21           H1*        A  21  10.443  -0.575  -6.566
  204    H8     A  21           H8         A  21   6.995  -0.623  -8.379
  205   1H6     A  21          2H6         A  21   5.618   4.555  -5.375
  206   2H6     A  21          1H6         A  21   5.072   3.397  -6.586
  207    H2     A  21           H2         A  21   9.551   3.242  -3.946
  208   1H5*    A  22          2H5*        A  22  12.153  -5.872  -4.475
  209   2H5*    A  22          1H5*        A  22  10.720  -5.190  -3.686
  210    H4*    A  22           H4*        A  22  13.335  -3.827  -4.386
  211    H3*    A  22           H3*        A  22  12.183  -4.869  -1.999
  212    H2*    A  22           H2*        A  22  10.869  -3.118  -1.452
  213   2HO*    A  22          2HO*        A  22  12.213  -1.295  -0.573
  214    H1*    A  22           H1*        A  22  12.502  -1.071  -2.883
  215    H8     A  22           H8         A  22   9.078  -2.044  -4.055
  216   1H6     A  22          1H6         A  22   7.029   3.018  -1.302
  217   2H6     A  22          2H6         A  22   6.679   1.782  -2.486
  218    H2     A  22           H2         A  22  11.208   2.252   0.146
  219   1H5*    A  23          2H5*        A  23  14.326  -6.842   0.704
  220   2H5*    A  23          1H5*        A  23  12.606  -7.084   0.344
  221    H4*    A  23           H4*        A  23  14.015  -4.500   1.073
  222    H3*    A  23           H3*        A  23  12.274  -6.417   2.435
  223    H2*    A  23           H2*        A  23  10.387  -5.282   2.457
  224   2HO*    A  23          2HO*        A  23  10.262  -3.373   3.552
  225    H1*    A  23           H1*        A  23  11.362  -2.763   1.284
  226    H8     A  23           H8         A  23   9.697  -5.794  -0.624
  227   1H6     A  23          2H6         A  23   4.811  -2.112  -1.134
  228   2H6     A  23          1H6         A  23   5.469  -3.696  -1.473
  229    H2     A  23           H2         A  23   7.996   0.144   1.096
  230   1H5*    A  24          2H5*        A  24  11.923  -3.461   4.622
  231   2H5*    A  24          1H5*        A  24  12.694  -2.474   5.876
  232    H4*    A  24           H4*        A  24  11.150  -3.090   7.506
  233    H3*    A  24           H3*        A  24  11.249  -5.684   6.206
  234    H2*    A  24           H2*        A  24   9.428  -5.343   4.840
  235   2HO*    A  24          2HO*        A  24   7.999  -5.675   7.289
  236    H1*    A  24           H1*        A  24   8.194  -3.564   6.930
  237    H8     A  24           H8         A  24   8.061  -4.630   3.242
  238   1H6     A  24          1H6         A  24   3.924  -0.186   2.391
  239   2H6     A  24          2H6         A  24   4.817  -1.488   1.629
  240    H2     A  24           H2         A  24   5.266  -0.017   6.657
  241   1H5*    C  25          2H5*        C  25  11.233  -6.190  11.664
  242   2H5*    C  25          1H5*        C  25  12.163  -6.806  10.283
  243    H4*    C  25           H4*        C  25  11.373  -9.101  10.792
  244    H3*    C  25           H3*        C  25   9.616  -7.639  12.620
  245    H2*    C  25           H2*        C  25  10.393  -8.311  14.604
  246   2HO*    C  25          2HO*        C  25  10.139 -10.349  15.055
  247    H1*    C  25           H1*        C  25  12.753  -9.785  13.874
  248   1H4     C  25          2H4         C  25  14.101  -3.893  16.706
  249   2H4     C  25          1H4         C  25  14.440  -5.060  17.965
  250    H5     C  25           H5         C  25  14.038  -7.386  17.730
  251    H6     C  25           H6         C  25  13.232  -9.183  16.212
  252   1H5*    A  26          2H5*        A  26   6.519  -8.491  11.132
  253   2H5*    A  26          1H5*        A  26   6.379  -8.480   9.361
  254    H4*    A  26           H4*        A  26   7.139  -6.062  11.040
  255    H3*    A  26           H3*        A  26   4.493  -7.121  10.131
  256    H2*    A  26           H2*        A  26   3.861  -5.203   9.120
  257   2HO*    A  26          2HO*        A  26   4.184  -4.260  11.395
  258    H1*    A  26           H1*        A  26   6.438  -3.874   9.080
  259    H8     A  26           H8         A  26   6.598  -6.195   6.277
  260   1H6     A  26          2H6         A  26   3.016  -2.548   2.969
  261   2H6     A  26          1H6         A  26   4.227  -3.806   2.940
  262    H2     A  26           H2         A  26   2.230  -1.637   7.255
  263   1H5*    A  27          2H5*        A  27   1.595  -7.386  14.010
  264   2H5*    A  27          1H5*        A  27   0.977  -7.112  12.368
  265    H4*    A  27           H4*        A  27   2.796  -5.332  14.013
  266    H3*    A  27           H3*        A  27   0.043  -5.175  12.841
  267    H2*    A  27           H2*        A  27   0.281  -3.004  12.132
  268   2HO*    A  27          2HO*        A  27   2.319  -2.854  14.100
  269    H1*    A  27           H1*        A  27   2.958  -2.982  11.523
  270    H8     A  27           H8         A  27   1.807  -5.900   9.498
  271   1H6     A  27          2H6         A  27  -1.258  -2.219   5.791
  272   2H6     A  27          1H6         A  27  -0.736  -3.866   6.104
  273    H2     A  27           H2         A  27   0.121   0.299   9.193
  274   1H5*    C  28          2H5*        C  28  -1.963  -1.989  16.061
  275   2H5*    C  28          1H5*        C  28  -3.303  -3.144  15.949
  276    H4*    C  28           H4*        C  28  -3.516  -0.592  15.130
  277    H3*    C  28           H3*        C  28  -4.785  -3.110  14.117
  278    H2*    C  28           H2*        C  28  -5.651  -2.139  12.227
  279   2HO*    C  28          2HO*        C  28  -6.594  -0.286  12.472
  280    H1*    C  28           H1*        C  28  -3.639  -0.334  11.635
  281   1H4     C  28          2H4         C  28  -2.653  -5.139   7.655
  282   2H4     C  28          1H4         C  28  -1.382  -5.691   8.760
  283    H5     C  28           H5         C  28  -1.074  -4.788  10.985
  284    H6     C  28           H6         C  28  -1.869  -3.067  12.598
  285   1H5*    G  29          1H5*        G  29  -7.430  -0.837  13.939
  286   2H5*    G  29          2H5*        G  29  -9.184  -0.939  14.172
  287    H4*    G  29           H4*        G  29  -8.569  -0.982  11.796
  288    H3*    G  29           H3*        G  29  -9.459  -3.693  12.827
  289    H2*    G  29           H2*        G  29  -9.180  -4.550  10.675
  290   2HO*    G  29          2HO*        G  29 -10.162  -2.091  10.001
  291    H1*    G  29           H1*        G  29  -7.328  -2.460   9.938
  292    H8     G  29           H8         G  29  -5.349  -4.319  12.231
  293    H1     G  29           H1         G  29  -5.392  -6.890   6.369
  294   1H2     G  29          2H2         G  29  -7.204  -6.170   5.273
  295   2H2     G  29          1H2         G  29  -8.374  -5.078   5.985
  296   1H5*    G  30          1H5*        G  30 -13.132  -5.729  12.158
  297   2H5*    G  30          2H5*        G  30 -11.748  -6.467  12.991
  298    H4*    G  30           H4*        G  30 -12.419  -6.367  10.038
  299    H3*    G  30           H3*        G  30 -11.869  -8.612  11.997
  300    H2*    G  30           H2*        G  30 -11.076  -9.916  10.191
  301   2HO*    G  30          2HO*        G  30 -11.547  -9.196   7.991
  302    H1*    G  30           H1*        G  30 -10.296  -7.677   8.667
  303    H8     G  30           H8         G  30  -8.282  -7.473  11.734
  304    H1     G  30           H1         G  30  -5.488 -10.518   6.834
  305   1H2     G  30          2H2         G  30  -7.069 -11.146   5.387
  306   2H2     G  30          1H2         G  30  -8.771 -10.821   5.634
  307    H3T    G  30           H3T        G  30 -13.716  -9.276  10.343
  Start of MODEL    9
    1   1H5*    A   3          1H5*        A   3  -7.087   5.348  -6.051
    2   2H5*    A   3          2H5*        A   3  -8.356   6.552  -6.444
    3    H4*    A   3           H4*        A   3  -7.295   6.900  -8.653
    4    H3*    A   3           H3*        A   3  -5.287   4.936  -7.544
    5    H2*    A   3           H2*        A   3  -3.449   6.173  -8.354
    6   2HO*    A   3          2HO*        A   3  -5.396   7.322 -10.041
    7    H1*    A   3           H1*        A   3  -4.454   8.678  -7.669
    8    H8     A   3           H8         A   3  -5.436   7.094  -4.682
    9   1H6     A   3          2H6         A   3   0.300   8.093  -2.656
   10   2H6     A   3          1H6         A   3  -1.380   7.761  -2.199
   11    H2     A   3           H2         A   3   0.349   8.275  -7.147
   12   1H5*    G   4          1H5*        G   4  -3.947   4.132 -11.123
   13   2H5*    G   4          2H5*        G   4  -3.876   2.396 -11.463
   14    H4*    G   4           H4*        G   4  -1.681   3.494 -11.415
   15    H3*    G   4           H3*        G   4  -2.211   1.516  -9.180
   16    H2*    G   4           H2*        G   4   0.042   1.812  -8.442
   17   2HO*    G   4          2HO*        G   4   1.519   3.042  -9.738
   18    H1*    G   4           H1*        G   4   0.182   4.487  -9.022
   19    H8     G   4           H8         G   4  -2.943   4.163  -7.014
   20    H1     G   4           H1         G   4   2.426   5.404  -3.728
   21   1H2     G   4          2H2         G   4   4.183   4.882  -5.001
   22   2H2     G   4          1H2         G   4   4.033   4.242  -6.621
   23   1H5*    U   5          1H5*        U   5   1.152   0.958 -10.588
   24   2H5*    U   5          2H5*        U   5   2.005  -0.572 -10.650
   25    H4*    U   5           H4*        U   5   3.081   1.096  -9.165
   26    H3*    U   5           H3*        U   5   1.993  -1.314  -7.681
   27    H2*    U   5           H2*        U   5   3.209  -0.482  -5.831
   28   2HO*    U   5          2HO*        U   5   4.866   0.441  -7.835
   29    H1*    U   5           H1*        U   5   3.013   2.174  -6.826
   30    H3     U   5           H3         U   5   2.113   2.684  -2.439
   31    H5     U   5           H5         U   5  -1.549   2.118  -4.419
   32    H6     U   5           H6         U   5  -0.310   1.296  -6.331
   33   1H5*    G   6          1H5*        G   6   6.602  -3.153  -7.937
   34   2H5*    G   6          2H5*        G   6   5.989  -4.793  -7.645
   35    H4*    G   6           H4*        G   6   7.831  -3.885  -6.102
   36    H3*    G   6           H3*        G   6   5.251  -4.897  -4.964
   37    H2*    G   6           H2*        G   6   6.414  -4.792  -2.812
   38   2HO*    G   6          2HO*        G   6   8.600  -4.558  -4.516
   39    H1*    G   6           H1*        G   6   7.273  -2.286  -3.268
   40    H8     G   6           H8         G   6   3.967  -2.679  -5.047
   41    H1     G   6           H1         G   6   3.349   0.178   0.645
   42   1H2     G   6          2H2         G   6   5.279  -0.148   1.830
   43   2H2     G   6          1H2         G   6   6.636  -1.059   1.213
   44   1H5*    G   7          1H5*        G   7   7.759  -7.736  -1.267
   45   2H5*    G   7          2H5*        G   7   6.316  -8.403  -2.049
   46    H4*    G   7           H4*        G   7   6.660  -6.197  -0.057
   47    H3*    G   7           H3*        G   7   4.574  -8.362  -0.411
   48    H2*    G   7           H2*        G   7   3.197  -7.036   1.000
   49   2HO*    G   7          2HO*        G   7   5.556  -6.594   2.218
   50    H1*    G   7           H1*        G   7   4.587  -4.650   0.312
   51    H8     G   7           H8         G   7   2.982  -5.632  -2.804
   52    H1     G   7           H1         G   7  -0.518  -1.646   0.802
   53   1H2     G   7          2H2         G   7   0.258  -1.782   2.941
   54   2H2     G   7          1H2         G   7   1.582  -2.822   3.413
   55   1H5*   CH   8          1H5*       CH   8   2.215 -10.568   1.711
   56   2H5*   CH   8          2H5*       CH   8   2.658  -9.156   0.752
   57    H4*   CH   8           H4*       CH   8   3.183  -8.579   3.538
   58    H3*   CH   8           H3*       CH   8   0.516  -9.825   2.949
   59    H2*   CH   8           H2*       CH   8  -0.457  -8.292   4.506
   60   2HO*   CH   8          2HO*       CH   8   2.262  -7.867   5.206
   61    H1*   CH   8           H1*       CH   8   0.874  -6.209   3.732
   62    HN3   CH   8           H3        CH   8  -3.246  -5.200   2.434
   63   1H4    CH   8          1H4        CH   8  -4.243  -5.103   0.330
   64   2H4    CH   8          2H4        CH   8  -3.526  -5.855  -1.065
   65    H5    CH   8           H5        CH   8  -1.383  -7.050  -0.945
   66    H6    CH   8           H6        CH   8   0.383  -7.834   0.578
   67   1H5*    G   9          1H5*        G   9  -0.133 -14.106   3.536
   68   2H5*    G   9          2H5*        G   9   1.543 -13.578   3.837
   69    H4*    G   9           H4*        G   9   1.576 -12.666   1.520
   70    H3*    G   9           H3*        G   9  -1.302 -13.375   1.657
   71    H2*    G   9           H2*        G   9  -1.388 -14.652  -0.216
   72   2HO*    G   9          2HO*        G   9  -0.837 -13.060  -1.650
   73    H1*    G   9           H1*        G   9   1.305 -15.361  -0.567
   74    H8     G   9           H8         G   9   0.122 -17.557  -1.276
   75    H1     G   9           H1         G   9  -2.095 -18.561   4.613
   76   1H2     G   9          1H2         G   9  -1.764 -16.760   5.868
   77   2H2     G   9          2H2         G   9  -1.001 -15.312   5.250
   78   1H5*    C  10          2H5*        C  10  -3.020 -13.912  -1.495
   79   2H5*    C  10          1H5*        C  10  -3.565 -12.362  -2.185
   80    H4*    C  10           H4*        C  10  -5.361 -14.116  -1.542
   81    H3*    C  10           H3*        C  10  -5.334 -11.206  -0.873
   82    H2*    C  10           H2*        C  10  -7.151 -11.321   0.629
   83   2HO*    C  10          2HO*        C  10  -8.563 -13.033   0.699
   84    H1*    C  10           H1*        C  10  -6.592 -13.638   1.798
   85   1H4     C  10          2H4         C  10  -3.922 -10.081   6.159
   86   2H4     C  10          1H4         C  10  -2.357 -10.410   5.414
   87    H5     C  10           H5         C  10  -2.119 -11.441   3.182
   88    H6     C  10           H6         C  10  -3.313 -12.499   1.365
   89   1H5*    C  11          2H5*        C  11  -8.832  -9.917  -3.157
   90   2H5*    C  11          1H5*        C  11  -8.218  -8.267  -3.441
   91    H4*    C  11           H4*        C  11  -9.853  -9.027  -1.362
   92    H3*    C  11           H3*        C  11  -7.859  -6.754  -1.521
   93    H2*    C  11           H2*        C  11  -8.328  -6.213   0.698
   94   2HO*    C  11          2HO*        C  11 -10.264  -6.655   1.674
   95    H1*    C  11           H1*        C  11  -9.065  -8.856   1.427
   96   1H4     C  11          2H4         C  11  -4.094  -7.892   5.167
   97   2H4     C  11          1H4         C  11  -3.202  -8.932   4.059
   98    H5     C  11           H5         C  11  -4.049  -9.618   1.922
   99    H6     C  11           H6         C  11  -5.941  -9.499   0.376
  100   1H5*    G  12          1H5*        G  12  -9.973  -2.007  -2.395
  101   2H5*    G  12          2H5*        G  12  -8.535  -3.043  -2.164
  102    H4*    G  12           H4*        G  12 -10.634  -2.676  -0.010
  103    H3*    G  12           H3*        G  12  -8.303  -0.832  -0.614
  104    H2*    G  12           H2*        G  12  -7.966  -0.579   1.706
  105   2HO*    G  12          2HO*        G  12 -10.684  -0.901   1.724
  106    H1*    G  12           H1*        G  12  -9.022  -3.114   2.342
  107    H8     G  12           H8         G  12  -6.243  -4.083   0.236
  108    H1     G  12           H1         G  12  -4.638  -3.453   6.350
  109   1H2     G  12          2H2         G  12  -6.185  -2.260   7.448
  110   2H2     G  12          1H2         G  12  -7.609  -1.601   6.643
  111   1H5*    A  13          2H5*        A  13  -8.281   2.929   2.402
  112   2H5*    A  13          1H5*        A  13  -9.418   3.930   1.478
  113    H4*    A  13           H4*        A  13  -7.175   2.344   0.191
  114    H3*    A  13           H3*        A  13  -7.178   5.096   1.392
  115    H2*    A  13           H2*        A  13  -6.326   6.056  -0.459
  116   2HO*    A  13          2HO*        A  13  -4.560   4.130  -0.116
  117    H1*    A  13           H1*        A  13  -6.788   3.781  -2.269
  118    H8     A  13           H8         A  13  -6.200   6.905  -2.626
  119   1H6     A  13          1H6         A  13 -11.615   8.529  -5.064
  120   2H6     A  13          2H6         A  13  -9.929   8.967  -4.893
  121    H2     A  13           H2         A  13 -12.173   4.627  -2.906
  122   1H5*    C  14          2H5*        C  14  -5.349   3.628   4.382
  123   2H5*    C  14          1H5*        C  14  -4.242   4.997   4.802
  124    H4*    C  14           H4*        C  14  -3.851   3.304   6.438
  125    H3*    C  14           H3*        C  14  -1.863   3.242   4.238
  126    H2*    C  14           H2*        C  14  -0.817   1.286   4.777
  127   2HO*    C  14          2HO*        C  14  -1.055   0.257   6.645
  128    H1*    C  14           H1*        C  14  -2.918  -0.113   5.024
  129   1H4     C  14          2H4         C  14  -1.848  -0.925  -0.932
  130   2H4     C  14          1H4         C  14  -3.177   0.130  -1.305
  131    H5     C  14           H5         C  14  -4.306   1.542   0.351
  132    H6     C  14           H6         C  14  -4.336   2.158   2.733
  133   1H5*    C  15          1H5*        C  15   1.667   2.878   9.202
  134   2H5*    C  15          2H5*        C  15   2.404   4.475   9.066
  135    H4*    C  15           H4*        C  15   3.866   2.509   8.411
  136    H3*    C  15           H3*        C  15   3.444   4.567   6.245
  137    H2*    C  15           H2*        C  15   5.260   3.345   5.110
  138   2HO*    C  15          2HO*        C  15   6.146   1.442   6.200
  139    H1*    C  15           H1*        C  15   4.213   0.945   5.743
  140   1H4     C  15          2H4         C  15   1.204   0.995   0.203
  141   2H4     C  15          1H4         C  15  -0.087   1.923   0.931
  142    H5     C  15           H5         C  15   0.039   2.898   3.119
  143    H6     C  15           H6         C  15   1.417   3.127   5.118
  144   1H5*    A  16          1H5*        A  16   7.253   4.299   6.482
  145   2H5*    A  16          2H5*        A  16   8.205   5.766   6.237
  146    H4*    A  16           H4*        A  16   8.766   4.132   4.533
  147    H3*    A  16           H3*        A  16   7.109   6.437   3.472
  148    H2*    A  16           H2*        A  16   7.563   5.534   1.256
  149   2HO*    A  16          2HO*        A  16   8.962   3.722   1.025
  150    H1*    A  16           H1*        A  16   6.959   3.050   1.939
  151    H8     A  16           H8         A  16   4.509   5.062   3.940
  152   1H6     A  16          2H6         A  16   0.628   3.482  -0.622
  153   2H6     A  16          1H6         A  16   0.758   4.125   1.026
  154    H2     A  16           H2         A  16   4.872   2.759  -2.001
  155   1H5*    C  17          2H5*        C  17  10.633   7.100   0.739
  156   2H5*    C  17          1H5*        C  17  10.087   8.601  -0.052
  157    H4*    C  17           H4*        C  17   9.987   6.054  -1.122
  158    H3*    C  17           H3*        C  17   8.258   8.441  -1.812
  159    H2*    C  17           H2*        C  17   7.423   7.056  -3.591
  160   2HO*    C  17          2HO*        C  17   8.450   5.092  -4.129
  161    H1*    C  17           H1*        C  17   7.359   4.803  -1.963
  162   1H4     C  17          2H4         C  17   1.233   6.203  -1.731
  163   2H4     C  17          1H4         C  17   1.548   6.831  -0.115
  164    H5     C  17           H5         C  17   3.749   7.165   0.777
  165    H6     C  17           H6         C  17   6.161   6.957   0.328
  166   1H5*    U  18          2H5*        U  18   9.997  10.032  -6.949
  167   2H5*    U  18          1H5*        U  18   8.966  10.757  -5.694
  168    H4*    U  18           H4*        U  18   8.318   8.230  -7.286
  169    H3*    U  18           H3*        U  18   7.682  10.946  -7.909
  170    H2*    U  18           H2*        U  18   5.512  10.846  -6.733
  171   2HO*    U  18          2HO*        U  18   5.462   9.288  -9.044
  172    H1*    U  18           H1*        U  18   5.618   7.980  -6.932
  173    H3     U  18           H3         U  18   1.644   8.422  -4.715
  174    H5     U  18           H5         U  18   4.727   9.033  -1.932
  175    H6     U  18           H6         U  18   6.241   9.321  -3.786
  176   1H5*    U  19          1H5*        U  19   8.983   6.354  -9.931
  177   2H5*    U  19          2H5*        U  19   9.412   7.112 -11.479
  178    H4*    U  19           H4*        U  19   9.010   4.565 -11.660
  179    H3*    U  19           H3*        U  19   8.159   6.470 -13.573
  180    H2*    U  19           H2*        U  19   5.865   6.374 -13.107
  181   2HO*    U  19          2HO*        U  19   4.980   4.985 -14.576
  182    H1*    U  19           H1*        U  19   6.058   3.461 -12.437
  183    H3     U  19           H3         U  19   1.684   3.331 -11.541
  184    H5     U  19           H5         U  19   2.886   6.944  -9.729
  185    H6     U  19           H6         U  19   5.078   6.568 -10.603
  186   1H5*    A  20          2H5*        A  20  11.295   1.848 -13.840
  187   2H5*    A  20          1H5*        A  20   9.567   2.085 -13.553
  188    H4*    A  20           H4*        A  20  11.790   1.980 -11.491
  189    H3*    A  20           H3*        A  20   9.680   0.105 -12.434
  190    H2*    A  20           H2*        A  20   8.829  -0.397 -10.400
  191   2HO*    A  20          2HO*        A  20  10.069  -0.667  -8.618
  192    H1*    A  20           H1*        A  20   9.773   1.807  -8.894
  193    H8     A  20           H8         A  20   6.925   0.429 -11.134
  194   1H6     A  20          1H6         A  20   3.103   4.141  -8.146
  195   2H6     A  20          2H6         A  20   3.241   2.858  -9.323
  196    H2     A  20           H2         A  20   7.217   5.147  -6.781
  197   1H5*    A  21          1H5*        A  21  13.934  -0.214  -8.375
  198   2H5*    A  21          2H5*        A  21  14.190  -1.969  -8.463
  199    H4*    A  21           H4*        A  21  13.254  -1.282  -6.266
  200    H3*    A  21           H3*        A  21  11.959  -3.181  -8.130
  201    H2*    A  21           H2*        A  21   9.868  -2.355  -7.823
  202   2HO*    A  21          2HO*        A  21  10.240  -3.097  -5.093
  203    H1*    A  21           H1*        A  21  10.772  -1.045  -5.272
  204    H8     A  21           H8         A  21   7.898  -1.420  -7.526
  205   1H6     A  21          1H6         A  21   5.758   3.897  -5.088
  206   2H6     A  21          2H6         A  21   5.277   2.452  -5.984
  207    H2     A  21           H2         A  21   9.953   3.501  -3.985
  208   1H5*    A  22          1H5*        A  22  14.999  -3.721  -3.194
  209   2H5*    A  22          2H5*        A  22  13.283  -3.521  -3.521
  210    H4*    A  22           H4*        A  22  15.266  -1.232  -3.231
  211    H3*    A  22           H3*        A  22  13.597  -2.691  -1.220
  212    H2*    A  22           H2*        A  22  12.619  -0.829  -0.432
  213   2HO*    A  22          2HO*        A  22  14.680  -0.177   0.422
  214    H1*    A  22           H1*        A  22  13.555   0.992  -2.540
  215    H8     A  22           H8         A  22  10.576  -1.283  -3.092
  216   1H6     A  22          2H6         A  22   7.000   3.303  -1.084
  217   2H6     A  22          1H6         A  22   7.028   1.728  -1.846
  218    H2     A  22           H2         A  22  11.305   4.460  -0.365
  219   1H5*    A  23          2H5*        A  23  17.178  -3.897   2.515
  220   2H5*    A  23          1H5*        A  23  15.597  -4.031   1.716
  221    H4*    A  23           H4*        A  23  16.922  -1.403   2.470
  222    H3*    A  23           H3*        A  23  15.441  -3.305   4.099
  223    H2*    A  23           H2*        A  23  13.407  -2.363   4.100
  224   2HO*    A  23          2HO*        A  23  14.466  -0.957   5.692
  225    H1*    A  23           H1*        A  23  14.010   0.076   2.603
  226    H8     A  23           H8         A  23  12.777  -3.385   1.078
  227   1H6     A  23          2H6         A  23   7.464  -0.519   0.227
  228   2H6     A  23          1H6         A  23   8.374  -1.991  -0.022
  229    H2     A  23           H2         A  23  10.232   2.392   2.211
  230   1H5*    A  24          1H5*        A  24  14.992  -4.010   7.550
  231   2H5*    A  24          2H5*        A  24  14.049  -3.757   6.070
  232    H4*    A  24           H4*        A  24  13.247  -2.605   8.774
  233    H3*    A  24           H3*        A  24  13.144  -5.348   7.915
  234    H2*    A  24           H2*        A  24  11.490  -5.019   6.311
  235   2HO*    A  24          2HO*        A  24   9.353  -5.011   7.710
  236    H1*    A  24           H1*        A  24  10.250  -2.948   8.097
  237    H8     A  24           H8         A  24  10.464  -4.233   4.431
  238   1H6     A  24          1H6         A  24   6.376   0.100   3.078
  239   2H6     A  24          2H6         A  24   7.354  -1.206   2.463
  240    H2     A  24           H2         A  24   7.328   0.470   7.464
  241   1H5*    C  25          1H5*        C  25  13.361  -8.032   9.747
  242   2H5*    C  25          2H5*        C  25  11.845  -7.351   9.121
  243    H4*    C  25           H4*        C  25  11.507  -9.691   9.716
  244    H3*    C  25           H3*        C  25   9.981  -7.531  10.762
  245    H2*    C  25           H2*        C  25  10.406  -7.840  12.971
  246   2HO*    C  25          2HO*        C  25   8.252  -8.837  12.473
  247    H1*    C  25           H1*        C  25  10.950 -10.778  12.660
  248   1H4     C  25          2H4         C  25  14.827  -9.386  17.674
  249   2H4     C  25          1H4         C  25  13.356  -8.759  18.383
  250    H5     C  25           H5         C  25  11.303  -8.502  17.150
  251    H6     C  25           H6         C  25  10.226  -8.755  14.965
  252   1H5*    A  26          1H5*        A  26   6.733  -7.095   7.450
  253   2H5*    A  26          2H5*        A  26   8.501  -6.949   7.390
  254    H4*    A  26           H4*        A  26   8.326  -5.284   9.295
  255    H3*    A  26           H3*        A  26   5.489  -5.982   8.950
  256    H2*    A  26           H2*        A  26   4.712  -3.986   8.279
  257   2HO*    A  26          2HO*        A  26   4.920  -3.031  10.262
  258    H1*    A  26           H1*        A  26   7.159  -2.535   7.786
  259    H8     A  26           H8         A  26   7.111  -4.594   4.939
  260   1H6     A  26          1H6         A  26   2.583  -1.370   2.392
  261   2H6     A  26          2H6         A  26   3.952  -2.417   2.101
  262    H2     A  26           H2         A  26   2.307  -0.766   6.809
  263   1H5*    A  27          1H5*        A  27   2.996  -7.130  12.099
  264   2H5*    A  27          2H5*        A  27   2.584  -7.054  10.372
  265    H4*    A  27           H4*        A  27   3.696  -4.807  12.084
  266    H3*    A  27           H3*        A  27   1.014  -5.421  10.849
  267    H2*    A  27           H2*        A  27   0.679  -3.248  10.266
  268   2HO*    A  27          2HO*        A  27   1.086  -2.275  12.224
  269    H1*    A  27           H1*        A  27   3.305  -2.517   9.731
  270    H8     A  27           H8         A  27   3.162  -5.214   7.277
  271   1H6     A  27          2H6         A  27  -1.160  -2.340   4.152
  272   2H6     A  27          1H6         A  27   0.059  -3.593   4.105
  273    H2     A  27           H2         A  27  -1.269  -0.725   8.278
  274   1H5*    C  28          2H5*        C  28  -0.656  -2.026  14.028
  275   2H5*    C  28          1H5*        C  28  -1.980  -3.099  14.512
  276    H4*    C  28           H4*        C  28  -2.582  -0.698  13.779
  277    H3*    C  28           H3*        C  28  -3.890  -3.219  12.827
  278    H2*    C  28           H2*        C  28  -5.202  -2.158  11.246
  279   2HO*    C  28          2HO*        C  28  -5.381   0.193  11.267
  280    H1*    C  28           H1*        C  28  -3.404  -0.302  10.318
  281   1H4     C  28          2H4         C  28  -2.794  -4.986   6.169
  282   2H4     C  28          1H4         C  28  -1.331  -5.483   7.039
  283    H5     C  28           H5         C  28  -0.734  -4.620   9.281
  284    H6     C  28           H6         C  28  -1.364  -2.840  10.976
  285   1H5*    G  29          1H5*        G  29  -6.558  -1.043  13.470
  286   2H5*    G  29          2H5*        G  29  -8.226  -1.121  14.072
  287    H4*    G  29           H4*        G  29  -8.212  -1.105  11.650
  288    H3*    G  29           H3*        G  29  -8.707  -3.901  12.714
  289    H2*    G  29           H2*        G  29  -8.971  -4.628  10.513
  290   2HO*    G  29          2HO*        G  29  -9.557  -3.189   8.833
  291    H1*    G  29           H1*        G  29  -7.396  -2.456   9.461
  292    H8     G  29           H8         G  29  -4.882  -4.334  11.144
  293    H1     G  29           H1         G  29  -6.236  -6.712   5.360
  294   1H2     G  29          2H2         G  29  -8.268  -6.023   4.737
  295   2H2     G  29          1H2         G  29  -9.272  -4.991   5.734
  296   1H5*    G  30          1H5*        G  30 -12.319  -6.081  13.082
  297   2H5*    G  30          2H5*        G  30 -10.696  -6.795  13.235
  298    H4*    G  30           H4*        G  30 -12.491  -6.553  10.799
  299    H3*    G  30           H3*        G  30 -11.259  -8.863  12.310
  300    H2*    G  30           H2*        G  30 -11.114 -10.099  10.290
  301   2HO*    G  30          2HO*        G  30 -12.238  -9.255   8.387
  302    H1*    G  30           H1*        G  30 -10.762  -7.884   8.650
  303    H8     G  30           H8         G  30  -8.121  -7.647  11.255
  304    H1     G  30           H1         G  30  -6.334 -10.381   5.742
  305   1H2     G  30          2H2         G  30  -8.164 -11.013   4.629
  306   2H2     G  30          1H2         G  30  -9.785 -10.766   5.242
  307    H3T    G  30           H3T        G  30 -13.380  -9.682  11.909
  Start of MODEL   10
    1   1H5*    A   3          2H5*        A   3  -5.424   7.228 -11.175
    2   2H5*    A   3          1H5*        A   3  -4.991   5.752 -12.095
    3    H4*    A   3           H4*        A   3  -3.576   7.608 -12.762
    4    H3*    A   3           H3*        A   3  -2.299   5.382 -11.172
    5    H2*    A   3           H2*        A   3  -0.227   6.463 -11.020
    6   2HO*    A   3          2HO*        A   3   0.445   7.994 -12.424
    7    H1*    A   3           H1*        A   3  -1.184   9.048 -10.665
    8    H8     A   3           H8         A   3  -3.268   7.537  -8.196
    9   1H6     A   3          2H6         A   3   1.811   8.151  -4.555
   10   2H6     A   3          1H6         A   3   0.044   7.938  -4.514
   11    H2     A   3           H2         A   3   3.024   8.298  -8.850
   12   1H5*    G   4          1H5*        G   4  -2.657   1.682 -11.909
   13   2H5*    G   4          2H5*        G   4  -2.789   2.567 -10.369
   14    H4*    G   4           H4*        G   4  -0.479   2.826 -12.327
   15    H3*    G   4           H3*        G   4  -0.862   1.053  -9.897
   16    H2*    G   4           H2*        G   4   1.465   1.265  -9.428
   17   2HO*    G   4          2HO*        G   4   2.839   2.367 -10.898
   18    H1*    G   4           H1*        G   4   1.589   3.900 -10.008
   19    H8     G   4           H8         G   4  -1.608   3.562  -8.131
   20    H1     G   4           H1         G   4   3.484   5.016  -4.527
   21   1H2     G   4          2H2         G   4   5.344   4.527  -5.652
   22   2H2     G   4          1H2         G   4   5.335   3.851  -7.265
   23   1H5*    U   5          2H5*        U   5   2.485  -0.897 -11.399
   24   2H5*    U   5          1H5*        U   5   2.675  -2.395 -10.454
   25    H4*    U   5           H4*        U   5   4.079  -0.142  -9.978
   26    H3*    U   5           H3*        U   5   3.039  -2.058  -7.868
   27    H2*    U   5           H2*        U   5   4.191  -0.746  -6.276
   28   2HO*    U   5          2HO*        U   5   5.756  -0.052  -8.502
   29    H1*    U   5           H1*        U   5   3.827   1.642  -7.682
   30    H3     U   5           H3         U   5   2.478   2.127  -3.355
   31    H5     U   5           H5         U   5  -0.920   1.518  -5.746
   32    H6     U   5           H6         U   5   0.541   0.726  -7.504
   33   1H5*    G   6          1H5*        G   6   6.857  -2.613  -7.725
   34   2H5*    G   6          2H5*        G   6   7.747  -3.984  -7.073
   35    H4*    G   6           H4*        G   6   7.466  -2.025  -5.602
   36    H3*    G   6           H3*        G   6   6.136  -4.599  -4.630
   37    H2*    G   6           H2*        G   6   5.397  -3.459  -2.734
   38   2HO*    G   6          2HO*        G   6   7.821  -2.310  -2.900
   39    H1*    G   6           H1*        G   6   5.589  -0.933  -3.958
   40    H8     G   6           H8         G   6   2.739  -2.289  -5.677
   41    H1     G   6           H1         G   6   1.304   0.227   0.040
   42   1H2     G   6          2H2         G   6   3.218   0.290   1.275
   43   2H2     G   6          1H2         G   6   4.759  -0.278   0.673
   44   1H5*    G   7          1H5*        G   7   6.599  -7.402  -1.870
   45   2H5*    G   7          2H5*        G   7   6.287  -6.327  -3.274
   46    H4*    G   7           H4*        G   7   6.491  -4.591  -1.094
   47    H3*    G   7           H3*        G   7   5.055  -7.108  -0.165
   48    H2*    G   7           H2*        G   7   3.237  -5.811   0.303
   49   2HO*    G   7          2HO*        G   7   5.158  -4.231   1.457
   50    H1*    G   7           H1*        G   7   4.086  -3.481  -0.965
   51    H8     G   7           H8         G   7   2.263  -5.238  -3.488
   52    H1     G   7           H1         G   7  -1.581  -2.626   0.981
   53   1H2     G   7          2H2         G   7  -0.315  -2.271   2.856
   54   2H2     G   7          1H2         G   7   1.381  -2.685   2.957
   55   1H5*   CH   8          1H5*       CH   8   4.313  -6.835   5.393
   56   2H5*   CH   8          2H5*       CH   8   5.272  -8.212   4.784
   57    H4*   CH   8           H4*       CH   8   3.486  -8.997   3.717
   58    H3*   CH   8           H3*       CH   8   3.954  -6.416   2.301
   59    H2*   CH   8           H2*       CH   8   1.830  -5.942   1.989
   60   2HO*   CH   8          2HO*       CH   8   2.257  -8.230   0.522
   61    H1*   CH   8           H1*       CH   8   1.177  -8.505   2.716
   62    HN3   CH   8           H3        CH   8  -2.777  -5.626   4.473
   63   1H4    CH   8          1H4        CH   8  -4.358  -5.743   1.357
   64   2H4    CH   8          2H4        CH   8  -4.493  -5.290   3.038
   65    H5    CH   8           H5        CH   8  -2.432  -6.639   0.419
   66    H6    CH   8           H6        CH   8  -0.161  -7.270   0.743
   67   1H5*    G   9          1H5*        G   9   2.136 -11.923  -0.064
   68   2H5*    G   9          2H5*        G   9   3.283 -11.216  -1.227
   69    H4*    G   9           H4*        G   9   1.206 -10.144  -2.304
   70    H3*    G   9           H3*        G   9  -0.116 -11.127  -0.025
   71    H2*    G   9           H2*        G   9  -0.127 -13.353  -0.646
   72   2HO*    G   9          2HO*        G   9  -2.084 -13.821  -1.717
   73    H1*    G   9           H1*        G   9  -0.434 -12.579  -3.542
   74    H8     G   9           H8         G   9   2.400 -14.398  -3.829
   75    H1     G   9           H1         G   9  -1.928 -18.646  -1.857
   76   1H2     G   9          2H2         G   9  -3.707 -17.596  -1.040
   77   2H2     G   9          1H2         G   9  -3.821 -15.851  -0.983
   78   1H5*    C  10          2H5*        C  10  -3.592 -12.662  -2.266
   79   2H5*    C  10          1H5*        C  10  -4.272 -11.045  -2.595
   80    H4*    C  10           H4*        C  10  -5.838 -13.108  -2.010
   81    H3*    C  10           H3*        C  10  -6.051 -10.228  -1.271
   82    H2*    C  10           H2*        C  10  -7.620 -10.512   0.437
   83   2HO*    C  10          2HO*        C  10  -8.241 -12.841  -1.010
   84    H1*    C  10           H1*        C  10  -6.869 -12.884   1.408
   85   1H4     C  10          2H4         C  10  -4.195  -9.542   5.905
   86   2H4     C  10          1H4         C  10  -2.659  -9.676   5.048
   87    H5     C  10           H5         C  10  -2.480 -10.485   2.731
   88    H6     C  10           H6         C  10  -3.697 -11.472   0.879
   89   1H5*    C  11          1H5*        C  11  -8.594  -7.149  -2.692
   90   2H5*    C  11          2H5*        C  11  -7.587  -8.017  -1.498
   91    H4*    C  11           H4*        C  11 -10.546  -8.041  -1.083
   92    H3*    C  11           H3*        C  11  -8.771  -5.624  -0.668
   93    H2*    C  11           H2*        C  11  -9.723  -5.239   1.471
   94   2HO*    C  11          2HO*        C  11 -11.831  -6.670   0.366
   95    H1*    C  11           H1*        C  11  -9.983  -7.891   2.153
   96   1H4     C  11          2H4         C  11  -4.789  -7.169   5.509
   97   2H4     C  11          1H4         C  11  -3.857  -7.713   4.115
   98    H5     C  11           H5         C  11  -4.815  -8.018   1.909
   99    H6     C  11           H6         C  11  -6.836  -7.808   0.561
  100   1H5*    G  12          1H5*        G  12 -12.093  -4.633   0.743
  101   2H5*    G  12          2H5*        G  12 -12.707  -2.977   0.620
  102    H4*    G  12           H4*        G  12 -12.266  -3.794   2.947
  103    H3*    G  12           H3*        G  12 -10.499  -1.505   2.021
  104    H2*    G  12           H2*        G  12  -9.623  -1.435   4.204
  105   2HO*    G  12          2HO*        G  12 -10.747  -2.430   5.961
  106    H1*    G  12           H1*        G  12 -10.188  -4.176   4.684
  107    H8     G  12           H8         G  12  -7.727  -4.547   2.093
  108    H1     G  12           H1         G  12  -5.019  -3.967   7.787
  109   1H2     G  12          2H2         G  12  -6.521  -3.119   9.235
  110   2H2     G  12          1H2         G  12  -8.144  -2.656   8.778
  111   1H5*    A  13          2H5*        A  13 -11.241   2.199   2.751
  112   2H5*    A  13          1H5*        A  13  -9.618   1.551   2.440
  113    H4*    A  13           H4*        A  13  -8.731   2.517   4.417
  114    H3*    A  13           H3*        A  13 -11.097   1.852   5.614
  115    H2*    A  13           H2*        A  13 -12.475   3.532   4.876
  116   2HO*    A  13          2HO*        A  13 -12.305   3.984   7.091
  117    H1*    A  13           H1*        A  13 -10.461   5.695   4.851
  118    H8     A  13           H8         A  13 -11.672   4.056   1.647
  119   1H6     A  13          2H6         A  13 -15.760   8.646   1.237
  120   2H6     A  13          1H6         A  13 -15.047   7.283   0.404
  121    H2     A  13           H2         A  13 -13.775   8.897   5.263
  122   1H5*    C  14          1H5*        C  14  -6.309   1.746   4.477
  123   2H5*    C  14          2H5*        C  14  -7.321   0.530   5.309
  124    H4*    C  14           H4*        C  14  -5.615   0.945   7.290
  125    H3*    C  14           H3*        C  14  -4.176   2.067   4.922
  126    H2*    C  14           H2*        C  14  -2.258   0.694   5.195
  127   2HO*    C  14          2HO*        C  14  -1.829  -0.395   7.113
  128    H1*    C  14           H1*        C  14  -3.417  -1.580   5.827
  129   1H4     C  14          2H4         C  14  -3.442  -2.584  -0.359
  130   2H4     C  14          1H4         C  14  -5.122  -2.140  -0.367
  131    H5     C  14           H5         C  14  -6.269  -1.153   1.510
  132    H6     C  14           H6         C  14  -5.997  -0.397   3.813
  133   1H5*    C  15          2H5*        C  15  -1.016   3.830   8.051
  134   2H5*    C  15          1H5*        C  15  -0.391   5.186   7.075
  135    H4*    C  15           H4*        C  15   1.110   3.051   7.721
  136    H3*    C  15           H3*        C  15   1.140   4.630   5.135
  137    H2*    C  15           H2*        C  15   2.674   3.090   4.186
  138   2HO*    C  15          2HO*        C  15   3.908   1.732   5.424
  139    H1*    C  15           H1*        C  15   1.614   0.863   5.190
  140   1H4     C  15          2H4         C  15  -0.975   0.537  -0.447
  141   2H4     C  15          1H4         C  15  -2.463   1.124   0.256
  142    H5     C  15           H5         C  15  -2.616   2.070   2.496
  143    H6     C  15           H6         C  15  -1.328   2.575   4.528
  144   1H5*    A  16          2H5*        A  16   6.769   5.278   6.067
  145   2H5*    A  16          1H5*        A  16   6.144   6.328   4.792
  146    H4*    A  16           H4*        A  16   8.012   4.149   4.557
  147    H3*    A  16           H3*        A  16   6.750   6.147   2.684
  148    H2*    A  16           H2*        A  16   7.407   4.899   0.787
  149   2HO*    A  16          2HO*        A  16   8.912   3.230   0.899
  150    H1*    A  16           H1*        A  16   6.745   2.529   1.616
  151    H8     A  16           H8         A  16   4.085   4.503   3.261
  152   1H6     A  16          2H6         A  16   0.775   2.879  -1.714
  153   2H6     A  16          1H6         A  16   0.705   3.510  -0.058
  154    H2     A  16           H2         A  16   5.156   2.243  -2.603
  155   1H5*    C  17          2H5*        C  17  10.924   7.173   0.803
  156   2H5*    C  17          1H5*        C  17  10.289   8.554  -0.126
  157    H4*    C  17           H4*        C  17  10.781   5.949  -1.059
  158    H3*    C  17           H3*        C  17   9.211   8.273  -2.197
  159    H2*    C  17           H2*        C  17   8.483   6.880  -3.979
  160   2HO*    C  17          2HO*        C  17   9.523   4.892  -4.461
  161    H1*    C  17           H1*        C  17   8.254   4.580  -2.430
  162   1H4     C  17          2H4         C  17   2.126   5.813  -2.646
  163   2H4     C  17          1H4         C  17   2.297   6.486  -1.026
  164    H5     C  17           H5         C  17   4.407   6.887   0.027
  165    H6     C  17           H6         C  17   6.860   6.765  -0.244
  166   1H5*    U  18          2H5*        U  18  12.287   9.386  -6.992
  167   2H5*    U  18          1H5*        U  18  11.103  10.333  -6.055
  168    H4*    U  18           H4*        U  18  10.568   7.794  -7.677
  169    H3*    U  18           H3*        U  18  10.116  10.535  -8.348
  170    H2*    U  18           H2*        U  18   7.798  10.498  -7.542
  171   2HO*    U  18          2HO*        U  18   6.611   8.728  -8.830
  172    H1*    U  18           H1*        U  18   7.842   7.646  -7.698
  173    H3     U  18           H3         U  18   3.615   8.367  -6.243
  174    H5     U  18           H5         U  18   6.129   8.843  -2.916
  175    H6     U  18           H6         U  18   8.010   8.959  -4.530
  176   1H5*    U  19          1H5*        U  19  12.318   6.500  -9.917
  177   2H5*    U  19          2H5*        U  19  13.241   7.170 -11.270
  178    H4*    U  19           H4*        U  19  12.795   4.706 -11.639
  179    H3*    U  19           H3*        U  19  12.318   6.701 -13.628
  180    H2*    U  19           H2*        U  19  10.004   6.595 -13.600
  181   2HO*    U  19          2HO*        U  19  10.718   5.675 -15.609
  182    H1*    U  19           H1*        U  19  10.044   3.667 -12.989
  183    H3     U  19           H3         U  19   5.593   3.455 -12.726
  184    H5     U  19           H5         U  19   6.416   7.202 -10.982
  185    H6     U  19           H6         U  19   8.736   6.877 -11.528
  186   1H5*    A  20          1H5*        A  20  11.946   0.454 -14.423
  187   2H5*    A  20          2H5*        A  20  10.247   0.941 -14.394
  188    H4*    A  20           H4*        A  20  12.284   1.073 -12.155
  189    H3*    A  20           H3*        A  20   9.822  -0.580 -12.634
  190    H2*    A  20           H2*        A  20   9.127  -0.411 -10.477
  191   2HO*    A  20          2HO*        A  20  10.797   0.102  -8.793
  192    H1*    A  20           H1*        A  20  10.581   1.971  -9.768
  193    H8     A  20           H8         A  20   7.504   0.525 -11.634
  194   1H6     A  20          2H6         A  20   4.042   4.725  -8.905
  195   2H6     A  20          1H6         A  20   4.058   3.354  -9.988
  196    H2     A  20           H2         A  20   8.180   5.415  -7.540
  197   1H5*    A  21          2H5*        A  21  10.145  -4.536  -9.615
  198   2H5*    A  21          1H5*        A  21   9.141  -3.427  -8.683
  199    H4*    A  21           H4*        A  21  12.047  -3.996  -8.568
  200    H3*    A  21           H3*        A  21   9.903  -4.371  -6.846
  201    H2*    A  21           H2*        A  21   9.626  -2.409  -5.793
  202   2HO*    A  21          2HO*        A  21  10.883  -3.265  -4.182
  203    H1*    A  21           H1*        A  21  12.075  -0.981  -6.303
  204    H8     A  21           H8         A  21   8.808  -1.274  -8.377
  205   1H6     A  21          1H6         A  21   7.100   4.043  -5.817
  206   2H6     A  21          2H6         A  21   6.610   2.750  -6.904
  207    H2     A  21           H2         A  21  10.961   2.994  -4.083
  208   1H5*    A  22          2H5*        A  22  13.689  -3.731  -5.136
  209   2H5*    A  22          1H5*        A  22  14.347  -4.664  -3.785
  210    H4*    A  22           H4*        A  22  14.919  -2.321  -3.521
  211    H3*    A  22           H3*        A  22  13.054  -3.644  -1.619
  212    H2*    A  22           H2*        A  22  12.197  -1.760  -0.780
  213   2HO*    A  22          2HO*        A  22  14.090  -1.339   0.359
  214    H1*    A  22           H1*        A  22  13.500   0.121  -2.640
  215    H8     A  22           H8         A  22  10.340  -1.621  -3.682
  216   1H6     A  22          2H6         A  22   7.248   3.200  -1.332
  217   2H6     A  22          1H6         A  22   7.114   1.762  -2.304
  218    H2     A  22           H2         A  22  11.560   3.548  -0.114
  219   1H5*    A  23          1H5*        A  23  15.634  -5.418   2.293
  220   2H5*    A  23          2H5*        A  23  14.298  -5.461   1.125
  221    H4*    A  23           H4*        A  23  15.436  -2.875   2.235
  222    H3*    A  23           H3*        A  23  13.665  -4.850   3.505
  223    H2*    A  23           H2*        A  23  11.746  -3.750   3.385
  224   2HO*    A  23          2HO*        A  23  11.557  -1.791   4.329
  225    H1*    A  23           H1*        A  23  12.803  -1.289   2.112
  226    H8     A  23           H8         A  23  11.262  -4.418   0.285
  227   1H6     A  23          1H6         A  23   6.300  -0.848  -0.517
  228   2H6     A  23          2H6         A  23   7.031  -2.400  -0.852
  229    H2     A  23           H2         A  23   9.357   1.558   1.739
  230   1H5*    A  24          2H5*        A  24  12.979  -0.237   4.645
  231   2H5*    A  24          1H5*        A  24  13.617   0.773   5.960
  232    H4*    A  24           H4*        A  24  12.235  -0.110   7.510
  233    H3*    A  24           H3*        A  24  12.830  -2.650   6.046
  234    H2*    A  24           H2*        A  24  10.761  -3.092   5.312
  235   2HO*    A  24          2HO*        A  24  10.832  -4.059   7.607
  236    H1*    A  24           H1*        A  24   9.437  -1.200   7.181
  237    H8     A  24           H8         A  24   9.406  -2.733   3.614
  238   1H6     A  24          2H6         A  24   4.217   0.382   2.707
  239   2H6     A  24          1H6         A  24   5.357  -0.756   2.013
  240    H2     A  24           H2         A  24   5.744   1.444   6.772
  241   1H5*    C  25          1H5*        C  25  13.738  -6.271   9.552
  242   2H5*    C  25          2H5*        C  25  12.197  -7.081   9.205
  243    H4*    C  25           H4*        C  25  11.119  -5.619  10.939
  244    H3*    C  25           H3*        C  25  13.542  -4.192  10.796
  245    H2*    C  25           H2*        C  25  14.798  -5.453  12.216
  246   2HO*    C  25          2HO*        C  25  14.470  -4.781  14.398
  247    H1*    C  25           H1*        C  25  12.458  -6.289  13.839
  248   1H4     C  25          2H4         C  25  16.765 -10.492  15.847
  249   2H4     C  25          1H4         C  25  17.434 -10.675  14.240
  250    H5     C  25           H5         C  25  16.638  -9.431  12.331
  251    H6     C  25           H6         C  25  14.959  -7.836  11.533
  252   1H5*    A  26          1H5*        A  26   9.033  -4.932  10.780
  253   2H5*    A  26          2H5*        A  26  10.072  -3.546  10.374
  254    H4*    A  26           H4*        A  26   8.040  -2.085  10.966
  255    H3*    A  26           H3*        A  26   6.795  -4.824  10.879
  256    H2*    A  26           H2*        A  26   5.074  -4.075   9.642
  257   2HO*    A  26          2HO*        A  26   5.221  -1.405  10.512
  258    H1*    A  26           H1*        A  26   6.369  -1.533   8.890
  259    H8     A  26           H8         A  26   7.326  -4.592   6.726
  260   1H6     A  26          2H6         A  26   2.562  -3.283   3.220
  261   2H6     A  26          1H6         A  26   4.045  -4.191   3.389
  262    H2     A  26           H2         A  26   1.941  -1.122   7.072
  263   1H5*    A  27          1H5*        A  27   4.271  -6.504  13.968
  264   2H5*    A  27          2H5*        A  27   4.150  -6.789  12.218
  265    H4*    A  27           H4*        A  27   4.033  -4.063  13.561
  266    H3*    A  27           H3*        A  27   1.892  -5.977  12.636
  267    H2*    A  27           H2*        A  27   0.692  -4.303  11.680
  268   2HO*    A  27          2HO*        A  27   0.519  -3.143  13.658
  269    H1*    A  27           H1*        A  27   2.841  -2.435  11.356
  270    H8     A  27           H8         A  27   3.372  -5.211   8.829
  271   1H6     A  27          2H6         A  27  -0.833  -2.431   5.360
  272   2H6     A  27          1H6         A  27   0.435  -3.656   5.374
  273    H2     A  27           H2         A  27  -1.413  -1.013   9.506
  274   1H5*    C  28          2H5*        C  28  -2.334  -5.123  15.468
  275   2H5*    C  28          1H5*        C  28  -2.235  -5.147  13.698
  276    H4*    C  28           H4*        C  28  -2.798  -2.724  15.457
  277    H3*    C  28           H3*        C  28  -4.451  -4.665  13.972
  278    H2*    C  28           H2*        C  28  -5.501  -3.253  12.510
  279   2HO*    C  28          2HO*        C  28  -6.271  -1.820  14.101
  280    H1*    C  28           H1*        C  28  -3.556  -1.374  12.002
  281   1H4     C  28          2H4         C  28  -3.023  -5.231   7.124
  282   2H4     C  28          1H4         C  28  -1.335  -5.389   7.647
  283    H5     C  28           H5         C  28  -0.545  -4.724   9.908
  284    H6     C  28           H6         C  28  -1.274  -3.325  11.942
  285   1H5*    G  29          1H5*        G  29  -7.459  -2.960  15.314
  286   2H5*    G  29          2H5*        G  29  -8.797  -3.822  16.091
  287    H4*    G  29           H4*        G  29  -9.327  -3.110  13.795
  288    H3*    G  29           H3*        G  29  -8.893  -6.106  14.000
  289    H2*    G  29           H2*        G  29  -9.624  -6.255  11.766
  290   2HO*    G  29          2HO*        G  29 -10.723  -4.538  10.749
  291    H1*    G  29           H1*        G  29  -8.516  -3.729  11.060
  292    H8     G  29           H8         G  29  -5.606  -5.439  12.265
  293    H1     G  29           H1         G  29  -7.055  -6.480   6.122
  294   1H2     G  29          2H2         G  29  -9.230  -6.031   5.818
  295   2H2     G  29          1H2         G  29 -10.279  -5.489   7.109
  296   1H5*    G  30          1H5*        G  30 -12.661  -6.369  12.809
  297   2H5*    G  30          2H5*        G  30 -13.420  -7.893  13.299
  298    H4*    G  30           H4*        G  30 -12.875  -7.510  10.825
  299    H3*    G  30           H3*        G  30 -11.706  -9.961  12.177
  300    H2*    G  30           H2*        G  30 -10.991 -10.622  10.031
  301   2HO*    G  30          2HO*        G  30 -13.339  -9.435   9.316
  302    H1*    G  30           H1*        G  30 -10.973  -7.925   9.097
  303    H8     G  30           H8         G  30  -8.217  -7.917  11.436
  304    H1     G  30           H1         G  30  -6.595  -9.989   5.595
  305   1H2     G  30          2H2         G  30  -8.441 -10.663   4.532
  306   2H2     G  30          1H2         G  30 -10.035 -10.598   5.253
  307    H3T    G  30           H3T        G  30 -13.984  -9.644  10.484
  Start of MODEL   11
    1   1H5*    A   3          1H5*        A   3  -6.755   6.298  -8.066
    2   2H5*    A   3          2H5*        A   3  -7.771   7.649  -8.671
    3    H4*    A   3           H4*        A   3  -6.190   7.974 -10.539
    4    H3*    A   3           H3*        A   3  -4.688   5.750  -9.147
    5    H2*    A   3           H2*        A   3  -2.611   6.815  -9.388
    6   2HO*    A   3          2HO*        A   3  -3.923   8.128 -11.491
    7    H1*    A   3           H1*        A   3  -3.518   9.431  -8.890
    8    H8     A   3           H8         A   3  -5.146   7.975  -6.132
    9   1H6     A   3          2H6         A   3   0.311   8.521  -3.227
   10   2H6     A   3          1H6         A   3  -1.442   8.342  -3.008
   11    H2     A   3           H2         A   3   1.033   8.604  -7.650
   12   1H5*    G   4          1H5*        G   4  -2.960   4.889 -12.963
   13   2H5*    G   4          2H5*        G   4  -3.098   3.163 -13.327
   14    H4*    G   4           H4*        G   4  -0.764   4.004 -13.182
   15    H3*    G   4           H3*        G   4  -1.675   1.986 -11.123
   16    H2*    G   4           H2*        G   4   0.465   2.024 -10.099
   17   2HO*    G   4          2HO*        G   4   2.226   3.102 -11.153
   18    H1*    G   4           H1*        G   4   1.001   4.668 -10.534
   19    H8     G   4           H8         G   4  -2.410   4.638  -9.032
   20    H1     G   4           H1         G   4   2.444   5.350  -4.916
   21   1H2     G   4          2H2         G   4   4.333   4.678  -5.897
   22   2H2     G   4          1H2         G   4   4.394   4.067  -7.533
   23   1H5*    U   5          1H5*        U   5   2.004   1.334 -12.065
   24   2H5*    U   5          2H5*        U   5   2.652  -0.290 -12.134
   25    H4*    U   5           H4*        U   5   3.726   1.168 -10.416
   26    H3*    U   5           H3*        U   5   2.236  -1.214  -9.255
   27    H2*    U   5           H2*        U   5   3.257  -0.607  -7.214
   28   2HO*    U   5          2HO*        U   5   5.260   0.189  -8.899
   29    H1*    U   5           H1*        U   5   3.497   2.098  -8.054
   30    H3     U   5           H3         U   5   2.162   2.487  -3.733
   31    H5     U   5           H5         U   5  -1.276   2.523  -6.156
   32    H6     U   5           H6         U   5   0.068   1.646  -7.965
   33   1H5*    G   6          1H5*        G   6   6.475  -3.111  -8.518
   34   2H5*    G   6          2H5*        G   6   5.962  -4.776  -8.164
   35    H4*    G   6           H4*        G   6   7.005  -3.044  -6.328
   36    H3*    G   6           H3*        G   6   4.832  -5.095  -5.810
   37    H2*    G   6           H2*        G   6   4.875  -4.381  -3.546
   38   2HO*    G   6          2HO*        G   6   7.505  -3.965  -4.152
   39    H1*    G   6           H1*        G   6   5.721  -1.791  -4.200
   40    H8     G   6           H8         G   6   2.468  -2.157  -5.864
   41    H1     G   6           H1         G   6   2.197   0.285   0.047
   42   1H2     G   6          2H2         G   6   4.132  -0.242   1.133
   43   2H2     G   6          1H2         G   6   5.416  -1.169   0.389
   44   1H5*    G   7          1H5*        G   7   4.452  -8.193  -2.762
   45   2H5*    G   7          2H5*        G   7   3.705  -6.730  -3.452
   46    H4*    G   7           H4*        G   7   6.161  -6.237  -1.869
   47    H3*    G   7           H3*        G   7   3.913  -7.796  -0.665
   48    H2*    G   7           H2*        G   7   3.520  -6.305   1.086
   49   2HO*    G   7          2HO*        G   7   5.089  -4.781   1.742
   50    H1*    G   7           H1*        G   7   4.233  -3.965  -0.116
   51    H8     G   7           H8         G   7   2.063  -5.499  -2.644
   52    H1     G   7           H1         G   7  -1.171  -1.829   1.501
   53   1H2     G   7          2H2         G   7   0.107  -1.537   3.369
   54   2H2     G   7          1H2         G   7   1.706  -2.229   3.559
   55   1H5*   CH   8          1H5*       CH   8   3.891 -10.142   2.850
   56   2H5*   CH   8          2H5*       CH   8   3.054  -8.990   1.793
   57    H4*   CH   8           H4*       CH   8   4.025  -8.164   4.530
   58    H3*   CH   8           H3*       CH   8   1.508  -9.673   3.818
   59    H2*   CH   8           H2*       CH   8   0.343  -8.410   5.497
   60   2HO*   CH   8          2HO*       CH   8   2.970  -7.833   6.304
   61    H1*   CH   8           H1*       CH   8   1.373  -6.090   4.856
   62    HN3   CH   8           H3        CH   8  -2.617  -5.220   3.179
   63   1H4    CH   8          1H4        CH   8  -2.616  -6.047  -0.298
   64   2H4    CH   8          2H4        CH   8  -3.451  -5.243   0.989
   65    H5    CH   8           H5        CH   8  -0.470  -7.156   0.035
   66    H6    CH   8           H6        CH   8   1.164  -7.863   1.709
   67   1H5*    G   9          1H5*        G   9   1.752 -13.430   3.671
   68   2H5*    G   9          2H5*        G   9   2.719 -11.954   3.426
   69    H4*    G   9           H4*        G   9   0.942 -11.153   1.863
   70    H3*    G   9           H3*        G   9  -0.670 -13.063   3.127
   71    H2*    G   9           H2*        G   9   0.066 -14.912   2.052
   72   2HO*    G   9          2HO*        G   9  -1.117 -15.254   0.068
   73    H1*    G   9           H1*        G   9   0.688 -13.461  -0.501
   74    H8     G   9           H8         G   9   0.305 -16.648   0.130
   75    H1     G   9           H1         G   9   6.650 -16.111  -0.230
   76   1H2     G   9          2H2         G   9   7.239 -13.979  -0.016
   77   2H2     G   9          1H2         G   9   6.070 -12.698   0.210
   78   1H5*    C  10          1H5*        C  10  -2.246 -13.541   0.041
   79   2H5*    C  10          2H5*        C  10  -2.671 -13.600  -1.670
   80    H4*    C  10           H4*        C  10  -4.761 -13.847  -0.798
   81    H3*    C  10           H3*        C  10  -4.257 -10.882  -0.847
   82    H2*    C  10           H2*        C  10  -6.242 -10.430   0.352
   83   2HO*    C  10          2HO*        C  10  -6.982 -12.892  -0.717
   84    H1*    C  10           H1*        C  10  -6.163 -12.603   1.982
   85   1H4     C  10          2H4         C  10  -3.915  -8.859   6.396
   86   2H4     C  10          1H4         C  10  -2.278  -9.258   5.874
   87    H5     C  10           H5         C  10  -1.794 -10.420   3.736
   88    H6     C  10           H6         C  10  -2.775 -11.606   1.882
   89   1H5*    C  11          1H5*        C  11  -5.807  -7.762  -3.664
   90   2H5*    C  11          2H5*        C  11  -5.067  -8.455  -2.194
   91    H4*    C  11           H4*        C  11  -8.044  -8.112  -2.261
   92    H3*    C  11           H3*        C  11  -6.036  -5.880  -1.826
   93    H2*    C  11           H2*        C  11  -7.440  -5.027  -0.094
   94   2HO*    C  11          2HO*        C  11  -9.545  -5.805   0.215
   95    H1*    C  11           H1*        C  11  -8.156  -7.537   0.860
   96   1H4     C  11          2H4         C  11  -3.915  -6.727   5.339
   97   2H4     C  11          1H4         C  11  -2.751  -7.566   4.315
   98    H5     C  11           H5         C  11  -3.191  -8.144   1.994
   99    H6     C  11           H6         C  11  -4.758  -7.938   0.155
  100   1H5*    G  12          1H5*        G  12  -9.375  -4.086  -1.976
  101   2H5*    G  12          2H5*        G  12  -9.503  -2.384  -2.455
  102    H4*    G  12           H4*        G  12  -9.927  -2.957  -0.017
  103    H3*    G  12           H3*        G  12  -7.670  -1.038  -0.651
  104    H2*    G  12           H2*        G  12  -7.429  -0.713   1.672
  105   2HO*    G  12          2HO*        G  12  -9.136  -1.310   3.120
  106    H1*    G  12           H1*        G  12  -8.495  -3.273   2.291
  107    H8     G  12           H8         G  12  -5.492  -4.227   0.552
  108    H1     G  12           H1         G  12  -4.492  -3.229   6.751
  109   1H2     G  12          2H2         G  12  -6.150  -2.031   7.625
  110   2H2     G  12          1H2         G  12  -7.502  -1.442   6.671
  111   1H5*    A  13          1H5*        A  13  -7.674   1.973   0.746
  112   2H5*    A  13          2H5*        A  13  -8.971   1.230   1.706
  113    H4*    A  13           H4*        A  13  -8.460   4.196   1.291
  114    H3*    A  13           H3*        A  13  -7.510   2.354   3.229
  115    H2*    A  13           H2*        A  13  -9.236   2.224   4.660
  116   2HO*    A  13          2HO*        A  13  -9.630   4.258   5.855
  117    H1*    A  13           H1*        A  13 -10.721   4.645   3.910
  118    H8     A  13           H8         A  13 -11.441   1.176   2.498
  119   1H6     A  13          2H6         A  13 -15.832   0.723   6.789
  120   2H6     A  13          1H6         A  13 -15.131  -0.019   5.368
  121    H2     A  13           H2         A  13 -13.462   4.453   7.611
  122   1H5*    C  14          2H5*        C  14  -6.408   2.952   5.917
  123   2H5*    C  14          1H5*        C  14  -5.403   4.424   5.816
  124    H4*    C  14           H4*        C  14  -4.548   2.835   7.496
  125    H3*    C  14           H3*        C  14  -2.944   3.637   5.130
  126    H2*    C  14           H2*        C  14  -1.348   1.935   5.295
  127   2HO*    C  14          2HO*        C  14  -0.962   0.810   7.194
  128    H1*    C  14           H1*        C  14  -2.800  -0.087   6.151
  129   1H4     C  14          2H4         C  14  -3.017  -1.625   0.136
  130   2H4     C  14          1H4         C  14  -4.593  -0.903   0.048
  131    H5     C  14           H5         C  14  -5.564   0.451   1.799
  132    H6     C  14           H6         C  14  -5.179   1.374   4.033
  133   1H5*    C  15          1H5*        C  15   0.051   2.718   7.980
  134   2H5*    C  15          2H5*        C  15   0.986   4.166   8.336
  135    H4*    C  15           H4*        C  15   2.473   2.251   7.988
  136    H3*    C  15           H3*        C  15   2.564   4.281   5.740
  137    H2*    C  15           H2*        C  15   4.365   2.972   4.788
  138   2HO*    C  15          2HO*        C  15   5.135   1.094   5.925
  139    H1*    C  15           H1*        C  15   3.132   0.609   5.244
  140   1H4     C  15          2H4         C  15   0.074   1.237  -0.252
  141   2H4     C  15          1H4         C  15  -1.142   2.168   0.589
  142    H5     C  15           H5         C  15  -0.918   2.931   2.844
  143    H6     C  15           H6         C  15   0.538   2.953   4.799
  144   1H5*    A  16          1H5*        A  16   6.365   2.896   6.052
  145   2H5*    A  16          2H5*        A  16   7.484   4.257   5.905
  146    H4*    A  16           H4*        A  16   7.859   2.494   4.191
  147    H3*    A  16           H3*        A  16   6.988   5.233   3.245
  148    H2*    A  16           H2*        A  16   7.382   4.488   0.995
  149   2HO*    A  16          2HO*        A  16   8.489   2.471   0.600
  150    H1*    A  16           H1*        A  16   6.367   2.002   1.373
  151    H8     A  16           H8         A  16   3.870   4.229   3.051
  152   1H6     A  16          2H6         A  16   0.561   3.370  -2.058
  153   2H6     A  16          1H6         A  16   0.551   3.904  -0.368
  154    H2     A  16           H2         A  16   4.837   2.177  -2.927
  155   1H5*    C  17          1H5*        C  17   9.198   7.692   0.425
  156   2H5*    C  17          2H5*        C  17   7.822   6.721   1.047
  157    H4*    C  17           H4*        C  17   9.433   5.234  -0.879
  158    H3*    C  17           H3*        C  17   8.026   7.759  -1.804
  159    H2*    C  17           H2*        C  17   7.579   6.560  -3.849
  160   2HO*    C  17          2HO*        C  17   8.534   4.536  -4.258
  161    H1*    C  17           H1*        C  17   6.905   4.236  -2.456
  162   1H4     C  17          2H4         C  17   1.025   6.237  -3.126
  163   2H4     C  17          1H4         C  17   1.125   6.821  -1.465
  164    H5     C  17           H5         C  17   3.183   6.946  -0.218
  165    H6     C  17           H6         C  17   5.609   6.505  -0.285
  166   1H5*    U  18          2H5*        U  18  10.608   9.532  -6.345
  167   2H5*    U  18          1H5*        U  18   9.555  10.314  -5.140
  168    H4*    U  18           H4*        U  18   8.805   7.909  -6.882
  169    H3*    U  18           H3*        U  18   8.474  10.684  -7.484
  170    H2*    U  18           H2*        U  18   6.168  10.728  -6.605
  171   2HO*    U  18          2HO*        U  18   4.883   8.992  -7.855
  172    H1*    U  18           H1*        U  18   6.113   7.875  -6.772
  173    H3     U  18           H3         U  18   1.953   8.692  -5.080
  174    H5     U  18           H5         U  18   4.686   9.097  -1.918
  175    H6     U  18           H6         U  18   6.458   9.204  -3.586
  176   1H5*    U  19          1H5*        U  19   9.980   7.216  -9.441
  177   2H5*    U  19          2H5*        U  19  11.030   7.630 -10.814
  178    H4*    U  19           H4*        U  19  10.207   5.267 -11.080
  179    H3*    U  19           H3*        U  19   9.883   7.276 -13.084
  180    H2*    U  19           H2*        U  19   7.564   7.429 -12.973
  181   2HO*    U  19          2HO*        U  19   7.723   4.915 -14.293
  182    H1*    U  19           H1*        U  19   7.393   4.516 -12.320
  183    H3     U  19           H3         U  19   2.948   4.540 -11.925
  184    H5     U  19           H5         U  19   4.018   8.212 -10.167
  185    H6     U  19           H6         U  19   6.300   7.767 -10.750
  186   1H5*    A  20          1H5*        A  20  12.900   2.600 -13.834
  187   2H5*    A  20          2H5*        A  20  11.168   2.788 -13.511
  188    H4*    A  20           H4*        A  20  13.385   2.479 -11.448
  189    H3*    A  20           H3*        A  20  11.302   0.663 -12.607
  190    H2*    A  20           H2*        A  20  10.665  -0.198 -10.576
  191   2HO*    A  20          2HO*        A  20  12.059  -0.150  -8.768
  192    H1*    A  20           H1*        A  20  11.227   1.993  -8.941
  193    H8     A  20           H8         A  20   8.738   0.436 -11.430
  194   1H6     A  20          1H6         A  20   4.375   3.849  -8.866
  195   2H6     A  20          2H6         A  20   4.737   2.565  -9.991
  196    H2     A  20           H2         A  20   8.289   5.195  -7.142
  197   1H5*    A  21          1H5*        A  21  13.089  -3.739  -9.633
  198   2H5*    A  21          2H5*        A  21  11.657  -3.103 -10.469
  199    H4*    A  21           H4*        A  21  12.690  -2.038  -7.773
  200    H3*    A  21           H3*        A  21  10.479  -3.978  -8.466
  201    H2*    A  21           H2*        A  21   9.103  -2.820  -7.103
  202   2HO*    A  21          2HO*        A  21  11.323  -2.551  -5.316
  203    H1*    A  21           H1*        A  21  11.233  -0.712  -6.691
  204    H8     A  21           H8         A  21   7.984  -1.220  -8.734
  205   1H6     A  21          1H6         A  21   5.744   3.735  -5.827
  206   2H6     A  21          2H6         A  21   5.373   2.465  -6.984
  207    H2     A  21           H2         A  21   9.753   2.994  -4.218
  208   1H5*    A  22          1H5*        A  22  13.629  -4.314  -5.600
  209   2H5*    A  22          2H5*        A  22  13.903  -5.224  -4.101
  210    H4*    A  22           H4*        A  22  14.612  -2.793  -4.049
  211    H3*    A  22           H3*        A  22  12.823  -4.169  -2.121
  212    H2*    A  22           H2*        A  22  11.881  -2.330  -1.305
  213   2HO*    A  22          2HO*        A  22  13.763  -1.882  -0.137
  214    H1*    A  22           H1*        A  22  13.168  -0.395  -3.132
  215    H8     A  22           H8         A  22   9.976  -2.120  -4.154
  216   1H6     A  22          2H6         A  22   6.909   2.580  -1.586
  217   2H6     A  22          1H6         A  22   6.760   1.166  -2.595
  218    H2     A  22           H2         A  22  11.235   2.955  -0.466
  219   1H5*    A  23          2H5*        A  23  15.855  -5.928   1.571
  220   2H5*    A  23          1H5*        A  23  14.422  -5.993   0.525
  221    H4*    A  23           H4*        A  23  15.574  -3.425   1.665
  222    H3*    A  23           H3*        A  23  13.816  -5.472   2.858
  223    H2*    A  23           H2*        A  23  11.930  -4.286   2.933
  224   2HO*    A  23          2HO*        A  23  12.821  -3.126   4.691
  225    H1*    A  23           H1*        A  23  12.845  -1.846   1.598
  226    H8     A  23           H8         A  23  11.474  -5.107  -0.163
  227   1H6     A  23          1H6         A  23   6.243  -2.015  -0.844
  228   2H6     A  23          2H6         A  23   7.086  -3.517  -1.139
  229    H2     A  23           H2         A  23   9.164   0.703   1.213
  230   1H5*    A  24          2H5*        A  24  13.628  -2.611   6.933
  231   2H5*    A  24          1H5*        A  24  14.053  -4.096   7.804
  232    H4*    A  24           H4*        A  24  12.012  -3.149   8.685
  233    H3*    A  24           H3*        A  24  12.137  -5.808   7.356
  234    H2*    A  24           H2*        A  24  10.361  -5.484   5.985
  235   2HO*    A  24          2HO*        A  24   9.352  -5.993   8.530
  236    H1*    A  24           H1*        A  24   9.216  -3.441   7.831
  237    H8     A  24           H8         A  24   9.536  -4.534   4.119
  238   1H6     A  24          1H6         A  24   5.348  -0.187   2.929
  239   2H6     A  24          2H6         A  24   6.381  -1.417   2.236
  240    H2     A  24           H2         A  24   6.261  -0.056   7.330
  241   1H5*    C  25          1H5*        C  25  12.227  -8.774  11.567
  242   2H5*    C  25          2H5*        C  25  10.615  -9.499  11.411
  243    H4*    C  25           H4*        C  25   9.681  -7.620  12.767
  244    H3*    C  25           H3*        C  25  12.251  -6.465  12.305
  245    H2*    C  25           H2*        C  25  13.380  -7.083  14.124
  246   2HO*    C  25          2HO*        C  25  11.336  -5.466  15.187
  247    H1*    C  25           H1*        C  25  11.165  -7.955  15.840
  248   1H4     C  25          2H4         C  25  15.676 -12.104  17.467
  249   2H4     C  25          1H4         C  25  16.306 -12.158  15.837
  250    H5     C  25           H5         C  25  15.322 -10.941  14.007
  251    H6     C  25           H6         C  25  13.649  -9.262  13.379
  252   1H5*    A  26          2H5*        A  26   7.617  -6.687  11.964
  253   2H5*    A  26          1H5*        A  26   7.856  -7.074  10.246
  254    H4*    A  26           H4*        A  26   7.652  -4.234  11.285
  255    H3*    A  26           H3*        A  26   5.497  -6.143  10.406
  256    H2*    A  26           H2*        A  26   4.487  -4.533   9.167
  257   2HO*    A  26          2HO*        A  26   4.596  -2.317   9.732
  258    H1*    A  26           H1*        A  26   6.787  -2.771   8.998
  259    H8     A  26           H8         A  26   7.428  -5.446   6.503
  260   1H6     A  26          1H6         A  26   3.578  -2.605   2.733
  261   2H6     A  26          2H6         A  26   4.958  -3.670   2.854
  262    H2     A  26           H2         A  26   2.498  -1.399   6.901
  263   1H5*    A  27          1H5*        A  27   2.372  -6.325  14.148
  264   2H5*    A  27          2H5*        A  27   1.828  -6.579  12.477
  265    H4*    A  27           H4*        A  27   3.437  -4.231  13.540
  266    H3*    A  27           H3*        A  27   0.583  -4.597  12.641
  267    H2*    A  27           H2*        A  27   0.576  -2.552  11.608
  268   2HO*    A  27          2HO*        A  27   2.795  -1.891  13.260
  269    H1*    A  27           H1*        A  27   3.271  -2.422  10.909
  270    H8     A  27           H8         A  27   2.238  -5.452   9.068
  271   1H6     A  27          2H6         A  27  -1.239  -2.111   5.343
  272   2H6     A  27          1H6         A  27  -0.611  -3.713   5.687
  273    H2     A  27           H2         A  27   0.175   0.595   8.555
  274   1H5*    C  28          2H5*        C  28  -3.057  -3.351  14.778
  275   2H5*    C  28          1H5*        C  28  -2.642  -3.512  13.064
  276    H4*    C  28           H4*        C  28  -3.416  -0.933  14.487
  277    H3*    C  28           H3*        C  28  -4.911  -3.003  13.015
  278    H2*    C  28           H2*        C  28  -5.703  -1.766  11.260
  279   2HO*    C  28          2HO*        C  28  -5.341   0.485  12.970
  280    H1*    C  28           H1*        C  28  -3.709   0.057  10.841
  281   1H4     C  28          2H4         C  28  -2.507  -4.683   6.789
  282   2H4     C  28          1H4         C  28  -1.054  -4.955   7.766
  283    H5     C  28           H5         C  28  -0.694  -3.947   9.947
  284    H6     C  28           H6         C  28  -1.606  -2.284  11.558
  285   1H5*    G  29          1H5*        G  29  -7.897  -0.957  13.669
  286   2H5*    G  29          2H5*        G  29  -9.430  -1.564  14.313
  287    H4*    G  29           H4*        G  29  -9.552  -1.095  11.910
  288    H3*    G  29           H3*        G  29  -9.477  -4.070  12.479
  289    H2*    G  29           H2*        G  29  -9.961  -4.389  10.173
  290   2HO*    G  29          2HO*        G  29 -11.153  -1.927  10.476
  291    H1*    G  29           H1*        G  29  -8.441  -2.113   9.406
  292    H8     G  29           H8         G  29  -6.059  -3.937  11.385
  293    H1     G  29           H1         G  29  -6.167  -5.752   5.254
  294   1H2     G  29          2H2         G  29  -8.119  -5.164   4.345
  295   2H2     G  29          1H2         G  29  -9.378  -4.335   5.237
  296   1H5*    G  30          1H5*        G  30 -13.030  -4.012  11.077
  297   2H5*    G  30          2H5*        G  30 -14.108  -5.342  11.536
  298    H4*    G  30           H4*        G  30 -13.088  -5.402   9.216
  299    H3*    G  30           H3*        G  30 -12.428  -7.714  11.071
  300    H2*    G  30           H2*        G  30 -11.398  -8.738   9.219
  301   2HO*    G  30          2HO*        G  30 -11.896  -8.058   7.069
  302    H1*    G  30           H1*        G  30 -10.929  -6.224   7.951
  303    H8     G  30           H8         G  30  -8.662  -6.060  10.778
  304    H1     G  30           H1         G  30  -6.261  -9.149   5.703
  305   1H2     G  30          2H2         G  30  -7.957  -9.822   4.412
  306   2H2     G  30          1H2         G  30  -9.634  -9.510   4.800
  307    H3T    G  30           H3T        G  30 -14.675  -7.202  10.495
  Start of MODEL   12
    1   1H5*    A   3          2H5*        A   3  -6.920   8.020 -10.176
    2   2H5*    A   3          1H5*        A   3  -6.501   6.527 -11.075
    3    H4*    A   3           H4*        A   3  -5.210   8.419 -11.901
    4    H3*    A   3           H3*        A   3  -3.703   6.321 -10.329
    5    H2*    A   3           H2*        A   3  -1.664   7.489 -10.518
    6   2HO*    A   3          2HO*        A   3  -1.294   9.046 -12.004
    7    H1*    A   3           H1*        A   3  -2.712   9.988 -10.019
    8    H8     A   3           H8         A   3  -4.555   8.323  -7.448
    9   1H6     A   3          2H6         A   3   0.664   8.992  -4.082
   10   2H6     A   3          1H6         A   3  -1.089   8.713  -3.977
   11    H2     A   3           H2         A   3   1.665   9.346  -8.426
   12   1H5*    G   4          1H5*        G   4  -4.033   2.645 -10.585
   13   2H5*    G   4          2H5*        G   4  -4.063   3.736  -9.172
   14    H4*    G   4           H4*        G   4  -1.955   3.886 -11.348
   15    H3*    G   4           H3*        G   4  -1.976   2.255  -8.787
   16    H2*    G   4           H2*        G   4   0.410   2.555  -8.731
   17   2HO*    G   4          2HO*        G   4  -0.017   3.247 -11.392
   18    H1*    G   4           H1*        G   4   0.275   5.155  -9.261
   19    H8     G   4           H8         G   4  -2.704   4.634  -7.103
   20    H1     G   4           H1         G   4   2.668   6.063  -3.928
   21   1H2     G   4          2H2         G   4   4.429   5.682  -5.248
   22   2H2     G   4          1H2         G   4   4.280   5.084  -6.887
   23   1H5*    U   5          2H5*        U   5   0.813  -0.454 -11.025
   24   2H5*    U   5          1H5*        U   5   1.031  -1.861  -9.939
   25    H4*    U   5           H4*        U   5   2.912   0.008 -10.371
   26    H3*    U   5           H3*        U   5   2.350  -1.139  -7.659
   27    H2*    U   5           H2*        U   5   4.379  -0.164  -6.909
   28   2HO*    U   5          2HO*        U   5   5.700   0.993  -8.273
   29    H1*    U   5           H1*        U   5   3.567   2.186  -7.893
   30    H3     U   5           H3         U   5   2.573   2.395  -3.434
   31    H5     U   5           H5         U   5  -0.951   1.380  -5.479
   32    H6     U   5           H6         U   5   0.405   0.808  -7.393
   33   1H5*    G   6          1H5*        G   6   7.104  -4.745  -8.288
   34   2H5*    G   6          2H5*        G   6   5.769  -5.904  -8.107
   35    H4*    G   6           H4*        G   6   6.846  -3.853  -6.295
   36    H3*    G   6           H3*        G   6   5.076  -6.264  -5.726
   37    H2*    G   6           H2*        G   6   4.745  -5.312  -3.578
   38   2HO*    G   6          2HO*        G   6   7.334  -4.607  -3.912
   39    H1*    G   6           H1*        G   6   5.316  -2.683  -4.467
   40    H8     G   6           H8         G   6   2.199  -3.498  -6.193
   41    H1     G   6           H1         G   6   1.549  -0.590  -0.516
   42   1H2     G   6          2H2         G   6   3.492  -0.882   0.639
   43   2H2     G   6          1H2         G   6   4.851  -1.768  -0.013
   44   1H5*    G   7          1H5*        G   7   4.829  -8.839  -2.572
   45   2H5*    G   7          2H5*        G   7   4.425  -7.490  -3.665
   46    H4*    G   7           H4*        G   7   6.368  -6.592  -1.730
   47    H3*    G   7           H3*        G   7   4.151  -8.259  -0.560
   48    H2*    G   7           H2*        G   7   3.616  -6.618   1.021
   49   2HO*    G   7          2HO*        G   7   6.283  -5.885   0.605
   50    H1*    G   7           H1*        G   7   4.208  -4.423  -0.501
   51    H8     G   7           H8         G   7   2.123  -6.251  -2.835
   52    H1     G   7           H1         G   7  -1.340  -2.872   1.365
   53   1H2     G   7          2H2         G   7  -0.017  -2.392   3.171
   54   2H2     G   7          1H2         G   7   1.652  -2.901   3.299
   55   1H5*   CH   8          1H5*       CH   8   3.027 -10.312   2.137
   56   2H5*   CH   8          2H5*       CH   8   3.150  -8.748   1.340
   57    H4*   CH   8           H4*       CH   8   4.252  -8.575   4.014
   58    H3*   CH   8           H3*       CH   8   1.555  -9.881   3.716
   59    H2*   CH   8           H2*       CH   8   0.706  -8.614   5.545
   60   2HO*   CH   8          2HO*       CH   8   2.039  -7.246   6.764
   61    H1*   CH   8           H1*       CH   8   1.712  -6.328   4.865
   62    HN3   CH   8           H3        CH   8  -2.567  -5.580   3.774
   63   1H4    CH   8          1H4        CH   8  -2.859  -6.044   0.235
   64   2H4    CH   8          2H4        CH   8  -3.608  -5.431   1.667
   65    H5    CH   8           H5        CH   8  -0.653  -7.031   0.243
   66    H6    CH   8           H6        CH   8   1.198  -7.778   1.650
   67   1H5*    G   9          1H5*        G   9   3.184 -12.572   2.021
   68   2H5*    G   9          2H5*        G   9   1.567 -11.996   1.550
   69    H4*    G   9           H4*        G   9   2.280 -14.507   1.232
   70    H3*    G   9           H3*        G   9  -0.282 -13.289   2.027
   71    H2*    G   9           H2*        G   9  -1.215 -15.057   3.170
   72   2HO*    G   9          2HO*        G   9  -0.877 -16.455   1.321
   73    H1*    G   9           H1*        G   9   0.940 -16.356   4.198
   74    H8     G   9           H8         G   9   0.082 -12.572   4.083
   75    H1     G   9           H1         G   9  -0.255 -15.244   9.861
   76   1H2     G   9          2H2         G   9   0.286 -17.391   9.738
   77   2H2     G   9          1H2         G   9   0.731 -18.164   8.233
   78   1H5*    C  10          1H5*        C  10  -2.677 -12.550   1.079
   79   2H5*    C  10          2H5*        C  10  -2.232 -14.237   1.398
   80    H4*    C  10           H4*        C  10  -4.386 -14.812   0.009
   81    H3*    C  10           H3*        C  10  -4.687 -11.895   0.464
   82    H2*    C  10           H2*        C  10  -6.692 -11.974   1.689
   83   2HO*    C  10          2HO*        C  10  -8.112 -13.664   1.582
   84    H1*    C  10           H1*        C  10  -6.365 -14.228   3.057
   85   1H4     C  10          2H4         C  10  -4.328 -10.441   7.613
   86   2H4     C  10          1H4         C  10  -2.679 -10.860   7.145
   87    H5     C  10           H5         C  10  -2.135 -12.023   5.048
   88    H6     C  10           H6         C  10  -3.051 -13.178   3.156
   89   1H5*    C  11          2H5*        C  11  -7.966 -10.741  -2.150
   90   2H5*    C  11          1H5*        C  11  -7.247  -9.135  -2.445
   91    H4*    C  11           H4*        C  11  -9.115  -9.771  -0.485
   92    H3*    C  11           H3*        C  11  -7.146  -7.470  -0.675
   93    H2*    C  11           H2*        C  11  -7.706  -6.810   1.482
   94   2HO*    C  11          2HO*        C  11 -10.191  -7.772   0.719
   95    H1*    C  11           H1*        C  11  -8.589  -9.412   2.296
   96   1H4     C  11          2H4         C  11  -3.933  -8.359   6.434
   97   2H4     C  11          1H4         C  11  -2.998  -9.493   5.462
   98    H5     C  11           H5         C  11  -3.686 -10.273   3.319
   99    H6     C  11           H6         C  11  -5.432 -10.169   1.612
  100   1H5*    G  12          1H5*        G  12  -9.709  -2.762  -1.125
  101   2H5*    G  12          2H5*        G  12  -8.153  -3.614  -0.922
  102    H4*    G  12           H4*        G  12 -10.286  -3.602   1.230
  103    H3*    G  12           H3*        G  12  -8.215  -1.446   0.703
  104    H2*    G  12           H2*        G  12  -7.840  -1.274   3.016
  105   2HO*    G  12          2HO*        G  12 -10.509  -1.816   3.080
  106    H1*    G  12           H1*        G  12  -8.667  -3.931   3.551
  107    H8     G  12           H8         G  12  -5.788  -4.532   1.468
  108    H1     G  12           H1         G  12  -4.307  -4.004   7.627
  109   1H2     G  12          2H2         G  12  -5.973  -2.983   8.740
  110   2H2     G  12          1H2         G  12  -7.446  -2.438   7.926
  111   1H5*    A  13          2H5*        A  13  -9.235   2.552   3.760
  112   2H5*    A  13          1H5*        A  13 -10.273   3.219   2.481
  113    H4*    A  13           H4*        A  13  -7.651   1.857   1.839
  114    H3*    A  13           H3*        A  13  -8.122   4.736   2.628
  115    H2*    A  13           H2*        A  13  -6.666   5.428   1.015
  116   2HO*    A  13          2HO*        A  13  -4.962   4.060   0.249
  117    H1*    A  13           H1*        A  13  -6.959   3.040  -0.658
  118    H8     A  13           H8         A  13  -9.986   5.229  -0.392
  119   1H6     A  13          2H6         A  13  -7.714   8.533  -5.062
  120   2H6     A  13          1H6         A  13  -9.117   8.246  -4.058
  121    H2     A  13           H2         A  13  -4.498   5.737  -3.645
  122   1H5*    C  14          1H5*        C  14  -5.675   2.057   4.429
  123   2H5*    C  14          2H5*        C  14  -6.786   1.316   5.635
  124    H4*    C  14           H4*        C  14  -4.891   1.672   7.324
  125    H3*    C  14           H3*        C  14  -3.468   2.399   4.801
  126    H2*    C  14           H2*        C  14  -1.681   0.888   5.140
  127   2HO*    C  14          2HO*        C  14  -1.206   0.025   7.136
  128    H1*    C  14           H1*        C  14  -3.000  -1.177   6.089
  129   1H4     C  14          2H4         C  14  -3.238  -2.886   0.070
  130   2H4     C  14          1H4         C  14  -4.887  -2.341   0.040
  131    H5     C  14           H5         C  14  -5.919  -1.068   1.795
  132    H6     C  14           H6         C  14  -5.557  -0.095   3.992
  133   1H5*    C  15          2H5*        C  15   0.299   3.662   7.542
  134   2H5*    C  15          1H5*        C  15   0.967   4.767   6.318
  135    H4*    C  15           H4*        C  15   2.133   2.417   7.114
  136    H3*    C  15           H3*        C  15   2.324   3.929   4.506
  137    H2*    C  15           H2*        C  15   3.645   2.181   3.569
  138   2HO*    C  15          2HO*        C  15   4.575   0.562   4.808
  139    H1*    C  15           H1*        C  15   2.251   0.144   4.588
  140   1H4     C  15          2H4         C  15  -0.645   0.147  -0.921
  141   2H4     C  15          1H4         C  15  -1.949   1.044  -0.179
  142    H5     C  15           H5         C  15  -1.809   2.057   2.019
  143    H6     C  15           H6         C  15  -0.435   2.291   3.992
  144   1H5*    A  16          1H5*        A  16   6.704   4.189   5.568
  145   2H5*    A  16          2H5*        A  16   7.140   5.898   5.469
  146    H4*    A  16           H4*        A  16   8.579   4.436   4.050
  147    H3*    A  16           H3*        A  16   6.887   6.583   2.794
  148    H2*    A  16           H2*        A  16   7.522   5.914   0.577
  149   2HO*    A  16          2HO*        A  16   9.154   4.272   0.295
  150    H1*    A  16           H1*        A  16   7.252   3.294   0.920
  151    H8     A  16           H8         A  16   4.551   4.830   3.065
  152   1H6     A  16          2H6         A  16   0.964   2.890  -1.608
  153   2H6     A  16          1H6         A  16   0.982   3.477   0.065
  154    H2     A  16           H2         A  16   5.259   2.815  -2.952
  155   1H5*    C  17          2H5*        C  17  10.608   8.181   0.726
  156   2H5*    C  17          1H5*        C  17   9.819   9.582  -0.042
  157    H4*    C  17           H4*        C  17  10.221   7.010  -1.130
  158    H3*    C  17           H3*        C  17   8.531   9.368  -1.983
  159    H2*    C  17           H2*        C  17   7.655   8.049  -3.750
  160   2HO*    C  17          2HO*        C  17   8.683   6.126  -4.441
  161    H1*    C  17           H1*        C  17   7.620   5.673  -2.267
  162   1H4     C  17          2H4         C  17   1.472   6.733  -1.895
  163   2H4     C  17          1H4         C  17   1.780   7.333  -0.267
  164    H5     C  17           H5         C  17   3.947   7.740   0.600
  165    H6     C  17           H6         C  17   6.355   7.730   0.124
  166   1H5*    U  18          2H5*        U  18  10.994  10.717  -7.000
  167   2H5*    U  18          1H5*        U  18   9.884  11.578  -5.906
  168    H4*    U  18           H4*        U  18   9.259   9.075  -7.558
  169    H3*    U  18           H3*        U  18   8.730  11.823  -8.091
  170    H2*    U  18           H2*        U  18   6.446  11.679  -7.127
  171   2HO*    U  18          2HO*        U  18   6.642  10.160  -9.472
  172    H1*    U  18           H1*        U  18   6.610   8.835  -7.410
  173    H3     U  18           H3         U  18   2.389   9.342  -5.830
  174    H5     U  18           H5         U  18   4.984   9.730  -2.554
  175    H6     U  18           H6         U  18   6.789  10.031  -4.165
  176   1H5*    U  19          1H5*        U  19  10.386   8.472 -10.170
  177   2H5*    U  19          2H5*        U  19  11.360   8.978 -11.567
  178    H4*    U  19           H4*        U  19  10.612   6.589 -11.877
  179    H3*    U  19           H3*        U  19  10.194   8.630 -13.818
  180    H2*    U  19           H2*        U  19   7.870   8.728 -13.653
  181   2HO*    U  19          2HO*        U  19   7.050   7.495 -15.280
  182    H1*    U  19           H1*        U  19   7.781   5.794 -13.073
  183    H3     U  19           H3         U  19   3.330   5.789 -12.790
  184    H5     U  19           H5         U  19   4.355   9.299 -10.699
  185    H6     U  19           H6         U  19   6.646   8.920 -11.305
  186   1H5*    A  20          1H5*        A  20  13.383   4.104 -14.213
  187   2H5*    A  20          2H5*        A  20  11.628   4.216 -14.002
  188    H4*    A  20           H4*        A  20  13.739   4.172 -11.811
  189    H3*    A  20           H3*        A  20  11.807   2.205 -12.961
  190    H2*    A  20           H2*        A  20  10.996   1.515 -10.958
  191   2HO*    A  20          2HO*        A  20  12.356   1.724  -9.028
  192    H1*    A  20           H1*        A  20  11.765   3.715  -9.359
  193    H8     A  20           H8         A  20   9.054   2.239 -11.699
  194   1H6     A  20          2H6         A  20   4.877   5.209  -8.389
  195   2H6     A  20          1H6         A  20   5.157   4.060  -9.677
  196    H2     A  20           H2         A  20   8.875   6.553  -6.935
  197   1H5*    A  21          2H5*        A  21  13.393  -2.109  -9.980
  198   2H5*    A  21          1H5*        A  21  12.020  -1.377 -10.834
  199    H4*    A  21           H4*        A  21  12.986  -0.452  -8.062
  200    H3*    A  21           H3*        A  21  10.801  -2.371  -8.872
  201    H2*    A  21           H2*        A  21   9.416  -1.308  -7.436
  202   2HO*    A  21          2HO*        A  21  11.650  -1.048  -5.666
  203    H1*    A  21           H1*        A  21  11.506   0.813  -6.944
  204    H8     A  21           H8         A  21   8.128   0.259  -8.808
  205   1H6     A  21          1H6         A  21   6.042   5.071  -5.504
  206   2H6     A  21          2H6         A  21   5.553   3.817  -6.643
  207    H2     A  21           H2         A  21  10.171   4.490  -4.432
  208   1H5*    A  22          2H5*        A  22  13.964  -2.868  -5.952
  209   2H5*    A  22          1H5*        A  22  14.172  -3.843  -4.484
  210    H4*    A  22           H4*        A  22  14.930  -1.431  -4.311
  211    H3*    A  22           H3*        A  22  13.017  -2.803  -2.492
  212    H2*    A  22           H2*        A  22  12.151  -0.942  -1.611
  213   2HO*    A  22          2HO*        A  22  14.097  -0.592  -0.472
  214    H1*    A  22           H1*        A  22  13.480   0.987  -3.394
  215    H8     A  22           H8         A  22  10.312  -0.693  -4.553
  216   1H6     A  22          2H6         A  22   7.194   3.964  -2.033
  217   2H6     A  22          1H6         A  22   7.094   2.557  -3.070
  218    H2     A  22           H2         A  22  11.516   4.279  -0.705
  219   1H5*    A  23          1H5*        A  23  15.717  -4.624   1.403
  220   2H5*    A  23          2H5*        A  23  14.335  -4.585   0.289
  221    H4*    A  23           H4*        A  23  15.639  -2.075   1.389
  222    H3*    A  23           H3*        A  23  13.881  -3.982   2.736
  223    H2*    A  23           H2*        A  23  11.937  -2.902   2.586
  224   2HO*    A  23          2HO*        A  23  12.794  -1.687   4.373
  225    H1*    A  23           H1*        A  23  12.867  -0.438   1.306
  226    H8     A  23           H8         A  23  11.534  -3.689  -0.528
  227   1H6     A  23          1H6         A  23   6.363  -0.496  -1.362
  228   2H6     A  23          2H6         A  23   7.177  -2.014  -1.661
  229    H2     A  23           H2         A  23   9.239   2.138   0.839
  230   1H5*    A  24          2H5*        A  24  13.421  -5.252   6.106
  231   2H5*    A  24          1H5*        A  24  12.726  -4.779   4.543
  232    H4*    A  24           H4*        A  24  11.604  -3.813   7.194
  233    H3*    A  24           H3*        A  24  11.483  -6.489   6.077
  234    H2*    A  24           H2*        A  24  10.053  -5.879   4.338
  235   2HO*    A  24          2HO*        A  24   8.226  -6.080   6.537
  236    H1*    A  24           H1*        A  24   8.804  -3.968   6.275
  237    H8     A  24           H8         A  24   9.102  -4.770   2.492
  238   1H6     A  24          2H6         A  24   4.738  -0.478   1.787
  239   2H6     A  24          1H6         A  24   5.765  -1.639   0.971
  240    H2     A  24           H2         A  24   5.860  -0.610   6.128
  241   1H5*    C  25          2H5*        C  25   9.899  -6.754  12.117
  242   2H5*    C  25          1H5*        C  25  11.543  -6.259  11.667
  243    H4*    C  25           H4*        C  25  11.915  -8.453  10.599
  244    H3*    C  25           H3*        C  25   9.020  -8.686  11.036
  245    H2*    C  25           H2*        C  25   8.975 -10.415  12.452
  246   2HO*    C  25          2HO*        C  25  10.404 -12.253  12.048
  247    H1*    C  25           H1*        C  25  11.776 -10.776  13.031
  248   1H4     C  25          1H4         C  25   9.223 -10.276  18.817
  249   2H4     C  25          2H4         C  25   8.152  -8.992  18.303
  250    H5     C  25           H5         C  25   8.129  -8.111  16.063
  251    H6     C  25           H6         C  25   9.062  -8.330  13.806
  252   1H5*    A  26          2H5*        A  26   6.430  -9.438   9.201
  253   2H5*    A  26          1H5*        A  26   6.236  -8.981   7.496
  254    H4*    A  26           H4*        A  26   7.139  -7.147   9.752
  255    H3*    A  26           H3*        A  26   4.563  -7.612   8.302
  256    H2*    A  26           H2*        A  26   4.103  -5.377   8.084
  257   2HO*    A  26          2HO*        A  26   4.420  -5.063  10.427
  258    H1*    A  26           H1*        A  26   6.793  -4.418   8.118
  259    H8     A  26           H8         A  26   7.067  -6.244   5.155
  260   1H6     A  26          1H6         A  26   3.383  -2.369   2.165
  261   2H6     A  26          2H6         A  26   4.657  -3.555   2.014
  262    H2     A  26           H2         A  26   2.412  -2.075   6.527
  263   1H5*    A  27          2H5*        A  27   1.768  -7.395  13.649
  264   2H5*    A  27          1H5*        A  27   1.268  -7.077  11.974
  265    H4*    A  27           H4*        A  27   3.419  -5.626  13.554
  266    H3*    A  27           H3*        A  27   0.619  -5.022  12.696
  267    H2*    A  27           H2*        A  27   1.087  -2.941  11.861
  268   2HO*    A  27          2HO*        A  27   3.578  -2.945  13.240
  269    H1*    A  27           H1*        A  27   3.647  -3.324  10.929
  270    H8     A  27           H8         A  27   2.172  -6.115   9.173
  271   1H6     A  27          2H6         A  27  -1.197  -2.422   5.721
  272   2H6     A  27          1H6         A  27  -0.680  -4.076   5.986
  273    H2     A  27           H2         A  27   0.568   0.072   8.921
  274   1H5*    C  28          1H5*        C  28  -2.623  -3.806  15.704
  275   2H5*    C  28          2H5*        C  28  -2.376  -4.172  13.985
  276    H4*    C  28           H4*        C  28  -2.771  -1.419  15.225
  277    H3*    C  28           H3*        C  28  -4.535  -3.399  13.954
  278    H2*    C  28           H2*        C  28  -5.178  -2.250  12.086
  279   2HO*    C  28          2HO*        C  28  -4.461   0.214  13.312
  280    H1*    C  28           H1*        C  28  -3.057  -0.570  11.594
  281   1H4     C  28          2H4         C  28  -2.304  -5.279   7.431
  282   2H4     C  28          1H4         C  28  -0.803  -5.634   8.305
  283    H5     C  28           H5         C  28  -0.284  -4.687  10.535
  284    H6     C  28           H6         C  28  -1.083  -3.014  12.230
  285   1H5*    G  29          1H5*        G  29  -6.863  -0.937  14.099
  286   2H5*    G  29          2H5*        G  29  -8.585  -0.926  14.522
  287    H4*    G  29           H4*        G  29  -8.299  -1.088  12.120
  288    H3*    G  29           H3*        G  29  -9.003  -3.802  13.287
  289    H2*    G  29           H2*        G  29  -9.100  -4.612  11.108
  290   2HO*    G  29          2HO*        G  29  -9.497  -3.263   9.328
  291    H1*    G  29           H1*        G  29  -7.317  -2.545  10.148
  292    H8     G  29           H8         G  29  -5.065  -4.449  12.094
  293    H1     G  29           H1         G  29  -6.041  -7.091   6.373
  294   1H2     G  29          2H2         G  29  -7.984  -6.367   5.539
  295   2H2     G  29          1H2         G  29  -9.024  -5.244   6.389
  296   1H5*    G  30          1H5*        G  30 -13.071  -5.695  13.142
  297   2H5*    G  30          2H5*        G  30 -11.508  -6.519  13.347
  298    H4*    G  30           H4*        G  30 -13.264  -6.254  10.886
  299    H3*    G  30           H3*        G  30 -12.228  -8.538  12.556
  300    H2*    G  30           H2*        G  30 -12.090  -9.929  10.636
  301   2HO*    G  30          2HO*        G  30 -13.024  -9.119   8.616
  302    H1*    G  30           H1*        G  30 -11.403  -7.948   8.864
  303    H8     G  30           H8         G  30  -9.152  -7.574  11.834
  304    H1     G  30           H1         G  30  -6.654 -10.699   6.834
  305   1H2     G  30          2H2         G  30  -8.307 -11.350   5.484
  306   2H2     G  30          1H2         G  30  -9.995 -11.019   5.814
  307    H3T    G  30           H3T        G  30 -14.378  -9.264  12.057
  Start of MODEL   13
    1   1H5*    A   3          2H5*        A   3  -7.028   7.056 -10.920
    2   2H5*    A   3          1H5*        A   3  -6.495   5.528 -11.687
    3    H4*    A   3           H4*        A   3  -5.150   7.422 -12.431
    4    H3*    A   3           H3*        A   3  -3.796   5.389 -10.650
    5    H2*    A   3           H2*        A   3  -1.737   6.526 -10.763
    6   2HO*    A   3          2HO*        A   3  -2.937   7.760 -13.002
    7    H1*    A   3           H1*        A   3  -2.803   9.049 -10.468
    8    H8     A   3           H8         A   3  -4.770   7.525  -7.878
    9   1H6     A   3          2H6         A   3   0.274   8.405  -4.298
   10   2H6     A   3          1H6         A   3  -1.480   8.118  -4.266
   11    H2     A   3           H2         A   3   1.490   8.539  -8.606
   12   1H5*    G   4          1H5*        G   4  -4.006   1.875 -10.369
   13   2H5*    G   4          2H5*        G   4  -4.451   3.265  -9.289
   14    H4*    G   4           H4*        G   4  -2.123   3.673 -11.064
   15    H3*    G   4           H3*        G   4  -1.989   1.868  -8.620
   16    H2*    G   4           H2*        G   4   0.169   2.655  -8.196
   17   2HO*    G   4          2HO*        G   4   0.049   3.373 -10.872
   18    H1*    G   4           H1*        G   4  -0.465   5.202  -8.771
   19    H8     G   4           H8         G   4  -3.192   4.331  -6.496
   20    H1     G   4           H1         G   4   2.427   5.559  -3.652
   21   1H2     G   4          2H2         G   4   4.075   5.302  -5.132
   22   2H2     G   4          1H2         G   4   3.792   4.820  -6.793
   23   1H5*    U   5          1H5*        U   5   2.849  -0.228 -11.846
   24   2H5*    U   5          2H5*        U   5   2.530  -1.894 -11.386
   25    H4*    U   5           H4*        U   5   4.456  -0.496 -10.284
   26    H3*    U   5           H3*        U   5   2.774  -2.245  -8.494
   27    H2*    U   5           H2*        U   5   4.573  -1.717  -6.850
   28   2HO*    U   5          2HO*        U   5   5.885  -1.084  -9.237
   29    H1*    U   5           H1*        U   5   4.740   0.855  -7.652
   30    H3     U   5           H3         U   5   3.070   1.859  -3.597
   31    H5     U   5           H5         U   5  -0.260   0.913  -5.944
   32    H6     U   5           H6         U   5   1.246   0.006  -7.591
   33   1H5*    G   6          1H5*        G   6   6.329  -3.280  -8.023
   34   2H5*    G   6          2H5*        G   6   6.825  -4.903  -7.506
   35    H4*    G   6           H4*        G   6   7.199  -3.152  -5.767
   36    H3*    G   6           H3*        G   6   4.959  -5.067  -5.094
   37    H2*    G   6           H2*        G   6   4.927  -4.020  -2.967
   38   2HO*    G   6          2HO*        G   6   6.650  -2.685  -2.280
   39    H1*    G   6           H1*        G   6   5.775  -1.567  -3.965
   40    H8     G   6           H8         G   6   2.639  -2.103  -5.743
   41    H1     G   6           H1         G   6   1.939   0.553   0.061
   42   1H2     G   6          2H2         G   6   3.837   0.125   1.263
   43   2H2     G   6          1H2         G   6   5.182  -0.793   0.623
   44   1H5*    G   7          1H5*        G   7   4.111  -8.043  -2.654
   45   2H5*    G   7          2H5*        G   7   4.206  -6.715  -3.844
   46    H4*    G   7           H4*        G   7   5.325  -5.659  -1.514
   47    H3*    G   7           H3*        G   7   2.965  -7.385  -0.766
   48    H2*    G   7           H2*        G   7   2.359  -5.678   0.738
   49   2HO*    G   7          2HO*        G   7   5.107  -5.255   0.747
   50    H1*    G   7           H1*        G   7   3.531  -3.626  -0.798
   51    H8     G   7           H8         G   7   1.117  -4.717  -3.150
   52    H1     G   7           H1         G   7  -1.645  -1.269   1.489
   53   1H2     G   7          2H2         G   7  -0.269  -1.289   3.316
   54   2H2     G   7          1H2         G   7   1.271  -2.117   3.342
   55   1H5*   CH   8          1H5*       CH   8   3.995 -10.262   3.510
   56   2H5*   CH   8          2H5*       CH   8   5.399  -9.228   3.180
   57    H4*   CH   8           H4*       CH   8   4.773  -8.181   5.099
   58    H3*   CH   8           H3*       CH   8   2.109  -9.454   4.567
   59    H2*   CH   8           H2*       CH   8   1.031  -7.919   6.020
   60   2HO*   CH   8          2HO*       CH   8   2.200  -6.401   7.221
   61    H1*   CH   8           H1*       CH   8   2.263  -5.805   5.226
   62    HN3   CH   8           H3        CH   8  -1.800  -5.107   3.481
   63   1H4    CH   8          1H4        CH   8  -1.741  -5.996   0.044
   64   2H4    CH   8          2H4        CH   8  -2.603  -5.195   1.312
   65    H5    CH   8           H5        CH   8   0.472  -7.039   0.435
   66    H6    CH   8           H6        CH   8   2.102  -7.648   2.158
   67   1H5*    G   9          1H5*        G   9   1.015 -11.247   3.908
   68   2H5*    G   9          2H5*        G   9   1.082 -12.926   4.498
   69    H4*    G   9           H4*        G   9   2.615 -11.733   2.136
   70    H3*    G   9           H3*        G   9  -0.015 -13.059   2.402
   71    H2*    G   9           H2*        G   9   0.378 -14.805   0.924
   72   2HO*    G   9          2HO*        G   9   0.811 -13.638  -0.867
   73    H1*    G   9           H1*        G   9   3.156 -14.968   1.018
   74    H8     G   9           H8         G   9   1.005 -15.211   4.208
   75    H1     G   9           H1         G   9   2.389 -20.809   1.483
   76   1H2     G   9          1H2         G   9   3.457 -20.474  -0.432
   77   2H2     G   9          2H2         G   9   3.829 -18.874  -1.034
   78   1H5*    C  10          1H5*        C  10  -1.865 -13.745   1.429
   79   2H5*    C  10          2H5*        C  10  -2.192 -14.600  -0.073
   80    H4*    C  10           H4*        C  10  -4.383 -14.179   0.132
   81    H3*    C  10           H3*        C  10  -3.547 -11.299   0.456
   82    H2*    C  10           H2*        C  10  -5.631 -10.752   1.467
   83   2HO*    C  10          2HO*        C  10  -7.381 -12.146   1.457
   84    H1*    C  10           H1*        C  10  -5.848 -12.967   2.963
   85   1H4     C  10          2H4         C  10  -3.543  -9.294   7.446
   86   2H4     C  10          1H4         C  10  -1.945  -9.972   7.131
   87    H5     C  10           H5         C  10  -1.431 -11.307   5.080
   88    H6     C  10           H6         C  10  -2.402 -12.444   3.202
   89   1H5*    C  11          2H5*        C  11  -6.817  -8.977  -3.816
   90   2H5*    C  11          1H5*        C  11  -5.184  -8.430  -3.342
   91    H4*    C  11           H4*        C  11  -7.722  -8.596  -1.737
   92    H3*    C  11           H3*        C  11  -5.460  -6.580  -1.920
   93    H2*    C  11           H2*        C  11  -6.160  -5.763   0.141
   94   2HO*    C  11          2HO*        C  11  -8.241  -6.042   0.933
   95    H1*    C  11           H1*        C  11  -7.267  -8.270   0.934
   96   1H4     C  11          2H4         C  11  -3.155  -7.592   5.588
   97   2H4     C  11          1H4         C  11  -2.109  -8.701   4.702
   98    H5     C  11           H5         C  11  -2.541  -9.405   2.414
   99    H6     C  11           H6         C  11  -4.017  -9.148   0.493
  100   1H5*    G  12          1H5*        G  12  -8.923  -4.240  -1.634
  101   2H5*    G  12          2H5*        G  12  -8.799  -2.561  -2.188
  102    H4*    G  12           H4*        G  12  -9.255  -3.145   0.323
  103    H3*    G  12           H3*        G  12  -7.086  -1.180  -0.472
  104    H2*    G  12           H2*        G  12  -6.781  -0.759   1.826
  105   2HO*    G  12          2HO*        G  12  -8.427  -1.400   3.356
  106    H1*    G  12           H1*        G  12  -7.771  -3.329   2.558
  107    H8     G  12           H8         G  12  -4.754  -4.205   0.801
  108    H1     G  12           H1         G  12  -3.771  -3.112   6.995
  109   1H2     G  12          2H2         G  12  -5.461  -1.929   7.867
  110   2H2     G  12          1H2         G  12  -6.835  -1.400   6.903
  111   1H5*    A  13          2H5*        A  13  -8.818   3.554   0.386
  112   2H5*    A  13          1H5*        A  13  -7.404   3.025   1.321
  113    H4*    A  13           H4*        A  13  -8.909   4.624   2.543
  114    H3*    A  13           H3*        A  13  -7.939   2.024   3.481
  115    H2*    A  13           H2*        A  13  -9.693   1.391   4.706
  116   2HO*    A  13          2HO*        A  13  -8.795   2.903   6.270
  117    H1*    A  13           H1*        A  13 -11.404   3.745   4.362
  118    H8     A  13           H8         A  13 -10.994   0.394   2.437
  119   1H6     A  13          1H6         A  13 -16.536  -1.023   4.741
  120   2H6     A  13          2H6         A  13 -15.239  -1.566   3.699
  121    H2     A  13           H2         A  13 -15.347   3.004   6.335
  122   1H5*    C  14          2H5*        C  14  -6.301   3.371   6.520
  123   2H5*    C  14          1H5*        C  14  -5.239   4.813   6.521
  124    H4*    C  14           H4*        C  14  -4.345   3.080   7.993
  125    H3*    C  14           H3*        C  14  -2.844   3.778   5.509
  126    H2*    C  14           H2*        C  14  -1.324   1.978   5.681
  127   2HO*    C  14          2HO*        C  14  -1.003   0.818   7.528
  128    H1*    C  14           H1*        C  14  -2.996   0.095   6.431
  129   1H4     C  14          2H4         C  14  -3.527  -0.781   0.249
  130   2H4     C  14          1H4         C  14  -5.040   0.065   0.326
  131    H5     C  14           H5         C  14  -5.817   1.288   2.250
  132    H6     C  14           H6         C  14  -5.261   1.927   4.543
  133   1H5*    C  15          2H5*        C  15   0.675   4.504   8.267
  134   2H5*    C  15          1H5*        C  15   1.645   5.709   7.392
  135    H4*    C  15           H4*        C  15   2.539   3.245   7.768
  136    H3*    C  15           H3*        C  15   2.737   4.808   5.180
  137    H2*    C  15           H2*        C  15   4.056   2.998   4.311
  138   2HO*    C  15          2HO*        C  15   4.824   1.367   5.620
  139    H1*    C  15           H1*        C  15   2.455   1.076   5.278
  140   1H4     C  15          2H4         C  15  -0.186   1.446  -0.390
  141   2H4     C  15          1H4         C  15  -1.469   2.374   0.349
  142    H5     C  15           H5         C  15  -1.356   3.282   2.590
  143    H6     C  15           H6         C  15  -0.015   3.387   4.612
  144   1H5*    A  16          1H5*        A  16   7.071   4.248   5.725
  145   2H5*    A  16          2H5*        A  16   7.746   5.845   5.368
  146    H4*    A  16           H4*        A  16   8.739   4.003   4.009
  147    H3*    A  16           H3*        A  16   7.243   6.227   2.605
  148    H2*    A  16           H2*        A  16   7.929   5.271   0.502
  149   2HO*    A  16          2HO*        A  16   9.367   3.450   0.469
  150    H1*    A  16           H1*        A  16   7.295   2.770   1.132
  151    H8     A  16           H8         A  16   4.606   4.826   2.797
  152   1H6     A  16          2H6         A  16   1.334   2.698  -2.044
  153   2H6     A  16          1H6         A  16   1.226   3.479  -0.454
  154    H2     A  16           H2         A  16   5.697   2.039  -2.868
  155   1H5*    C  17          2H5*        C  17  10.791   7.454   0.413
  156   2H5*    C  17          1H5*        C  17  10.137   8.975  -0.266
  157    H4*    C  17           H4*        C  17  10.123   6.456  -1.459
  158    H3*    C  17           H3*        C  17   8.392   8.884  -2.059
  159    H2*    C  17           H2*        C  17   7.390   7.542  -3.765
  160   2HO*    C  17          2HO*        C  17   8.463   5.689  -4.565
  161    H1*    C  17           H1*        C  17   7.572   5.150  -2.241
  162   1H4     C  17          2H4         C  17   1.386   6.113  -1.484
  163   2H4     C  17          1H4         C  17   1.827   6.607   0.148
  164    H5     C  17           H5         C  17   4.051   7.004   0.857
  165    H6     C  17           H6         C  17   6.377   7.021   0.231
  166   1H5*    U  18          1H5*        U  18  10.574   8.564  -5.733
  167   2H5*    U  18          2H5*        U  18  10.564  10.035  -6.725
  168    H4*    U  18           H4*        U  18   8.929   7.982  -7.316
  169    H3*    U  18           H3*        U  18   8.772  10.758  -7.955
  170    H2*    U  18           H2*        U  18   6.427  10.932  -7.196
  171   2HO*    U  18          2HO*        U  18   5.197   9.141  -8.506
  172    H1*    U  18           H1*        U  18   6.270   8.070  -7.338
  173    H3     U  18           H3         U  18   2.082   8.674  -5.967
  174    H5     U  18           H5         U  18   4.536   9.243  -2.592
  175    H6     U  18           H6         U  18   6.417   9.476  -4.167
  176   1H5*    U  19          2H5*        U  19   9.358   7.400 -10.173
  177   2H5*    U  19          1H5*        U  19  10.223   7.759 -11.675
  178    H4*    U  19           H4*        U  19   9.377   5.393 -11.757
  179    H3*    U  19           H3*        U  19   8.795   7.319 -13.767
  180    H2*    U  19           H2*        U  19   6.491   7.471 -13.362
  181   2HO*    U  19          2HO*        U  19   6.589   4.920 -14.632
  182    H1*    U  19           H1*        U  19   6.501   4.575 -12.610
  183    H3     U  19           H3         U  19   2.086   4.513 -12.013
  184    H5     U  19           H5         U  19   3.231   8.014  -9.967
  185    H6     U  19           H6         U  19   5.470   7.681 -10.769
  186   1H5*    A  20          2H5*        A  20  12.599   4.006 -13.338
  187   2H5*    A  20          1H5*        A  20  12.321   2.406 -14.056
  188    H4*    A  20           H4*        A  20  12.923   2.462 -11.568
  189    H3*    A  20           H3*        A  20  10.610   1.061 -12.830
  190    H2*    A  20           H2*        A  20   9.561   0.521 -10.891
  191   2HO*    A  20          2HO*        A  20  10.672   0.293  -8.916
  192    H1*    A  20           H1*        A  20  10.539   2.546  -9.210
  193    H8     A  20           H8         A  20   8.046   1.639 -12.032
  194   1H6     A  20          2H6         A  20   3.997   5.160  -9.120
  195   2H6     A  20          1H6         A  20   4.251   3.997 -10.400
  196    H2     A  20           H2         A  20   7.955   5.804  -7.139
  197   1H5*    A  21          1H5*        A  21  14.356  -0.111  -8.558
  198   2H5*    A  21          2H5*        A  21  14.366  -1.883  -8.668
  199    H4*    A  21           H4*        A  21  13.301  -1.064  -6.572
  200    H3*    A  21           H3*        A  21  11.992  -2.794  -8.597
  201    H2*    A  21           H2*        A  21   9.988  -1.763  -8.451
  202   2HO*    A  21          2HO*        A  21   8.756  -2.473  -6.759
  203    H1*    A  21           H1*        A  21  10.819  -0.581  -5.818
  204    H8     A  21           H8         A  21   8.149  -0.554  -8.408
  205   1H6     A  21          2H6         A  21   6.061   4.536  -5.472
  206   2H6     A  21          1H6         A  21   5.597   3.264  -6.612
  207    H2     A  21           H2         A  21  10.170   3.833  -4.202
  208   1H5*    A  22          2H5*        A  22  14.696  -4.604  -3.737
  209   2H5*    A  22          1H5*        A  22  13.039  -4.178  -4.126
  210    H4*    A  22           H4*        A  22  15.259  -2.145  -3.719
  211    H3*    A  22           H3*        A  22  13.556  -3.588  -1.759
  212    H2*    A  22           H2*        A  22  12.453  -1.790  -1.052
  213   2HO*    A  22          2HO*        A  22  13.640   0.084  -0.383
  214    H1*    A  22           H1*        A  22  13.773   0.151  -2.874
  215    H8     A  22           H8         A  22  10.564  -1.663  -3.744
  216   1H6     A  22          1H6         A  22   7.601   3.382  -1.856
  217   2H6     A  22          2H6         A  22   7.456   1.866  -2.711
  218    H2     A  22           H2         A  22  11.916   3.752  -0.621
  219   1H5*    A  23          2H5*        A  23  14.821  -5.919   1.177
  220   2H5*    A  23          1H5*        A  23  13.197  -5.651   0.513
  221    H4*    A  23           H4*        A  23  15.136  -3.499   1.440
  222    H3*    A  23           H3*        A  23  13.096  -5.051   2.814
  223    H2*    A  23           H2*        A  23  11.384  -3.644   2.785
  224   2HO*    A  23          2HO*        A  23  12.358  -2.688   4.615
  225    H1*    A  23           H1*        A  23  12.668  -1.288   1.580
  226    H8     A  23           H8         A  23  10.817  -4.221  -0.302
  227   1H6     A  23          2H6         A  23   6.264  -0.127  -0.995
  228   2H6     A  23          1H6         A  23   6.769  -1.772  -1.293
  229    H2     A  23           H2         A  23   9.605   1.864   1.232
  230   1H5*    A  24          1H5*        A  24  13.374  -2.205   6.572
  231   2H5*    A  24          2H5*        A  24  13.801  -3.584   7.610
  232    H4*    A  24           H4*        A  24  11.819  -2.519   8.500
  233    H3*    A  24           H3*        A  24  11.891  -5.270   7.621
  234    H2*    A  24           H2*        A  24  10.303  -5.017   5.950
  235   2HO*    A  24          2HO*        A  24   9.267  -5.806   8.289
  236    H1*    A  24           H1*        A  24   8.968  -2.946   7.660
  237    H8     A  24           H8         A  24   9.150  -4.335   4.015
  238   1H6     A  24          2H6         A  24   4.866  -0.090   2.733
  239   2H6     A  24          1H6         A  24   5.857  -1.375   2.060
  240    H2     A  24           H2         A  24   6.034   0.377   7.018
  241   1H5*    C  25          1H5*        C  25   8.949  -7.448  12.259
  242   2H5*    C  25          2H5*        C  25  10.641  -7.006  12.561
  243    H4*    C  25           H4*        C  25  11.252  -8.707  10.744
  244    H3*    C  25           H3*        C  25   8.329  -9.005  10.822
  245    H2*    C  25           H2*        C  25   8.188 -11.079  11.652
  246   2HO*    C  25          2HO*        C  25   9.499 -12.758  10.801
  247    H1*    C  25           H1*        C  25  10.957 -11.606  12.319
  248   1H4     C  25          2H4         C  25   7.797 -13.086  17.619
  249   2H4     C  25          1H4         C  25   6.914 -11.576  17.578
  250    H5     C  25           H5         C  25   7.166  -9.946  15.831
  251    H6     C  25           H6         C  25   8.347  -9.384  13.758
  252   1H5*    A  26          2H5*        A  26   6.071  -9.190   8.787
  253   2H5*    A  26          1H5*        A  26   5.788  -8.824   7.071
  254    H4*    A  26           H4*        A  26   6.848  -6.879   9.158
  255    H3*    A  26           H3*        A  26   4.156  -7.322   7.901
  256    H2*    A  26           H2*        A  26   3.786  -5.069   7.655
  257   2HO*    A  26          2HO*        A  26   4.195  -4.697   9.955
  258    H1*    A  26           H1*        A  26   6.549  -4.269   7.587
  259    H8     A  26           H8         A  26   6.630  -5.891   4.561
  260   1H6     A  26          1H6         A  26   3.068  -1.626   1.954
  261   2H6     A  26          2H6         A  26   4.243  -2.890   1.674
  262    H2     A  26           H2         A  26   2.257  -1.577   6.358
  263   1H5*    A  27          2H5*        A  27   1.465  -6.995  13.126
  264   2H5*    A  27          1H5*        A  27   1.248  -6.601  11.408
  265    H4*    A  27           H4*        A  27   3.320  -5.368  13.264
  266    H3*    A  27           H3*        A  27   0.556  -4.589  12.447
  267    H2*    A  27           H2*        A  27   1.082  -2.488  11.713
  268   2HO*    A  27          2HO*        A  27   3.041  -2.701  13.665
  269    H1*    A  27           H1*        A  27   3.631  -2.857  10.760
  270    H8     A  27           H8         A  27   2.014  -5.611   9.004
  271   1H6     A  27          2H6         A  27  -1.195  -1.754   5.554
  272   2H6     A  27          1H6         A  27  -0.755  -3.431   5.825
  273    H2     A  27           H2         A  27   0.820   0.663   8.703
  274   1H5*    C  28          2H5*        C  28  -2.633  -3.481  15.083
  275   2H5*    C  28          1H5*        C  28  -2.394  -3.718  13.344
  276    H4*    C  28           H4*        C  28  -2.891  -1.100  14.811
  277    H3*    C  28           H3*        C  28  -4.500  -2.976  13.211
  278    H2*    C  28           H2*        C  28  -5.102  -1.625  11.470
  279   2HO*    C  28          2HO*        C  28  -4.447   0.688  13.004
  280    H1*    C  28           H1*        C  28  -2.939   0.021  11.166
  281   1H4     C  28          2H4         C  28  -2.027  -4.758   7.114
  282   2H4     C  28          1H4         C  28  -0.723  -5.296   8.192
  283    H5     C  28           H5         C  28  -0.357  -4.356  10.425
  284    H6     C  28           H6         C  28  -1.106  -2.562  11.984
  285   1H5*    G  29          1H5*        G  29  -6.731  -0.642  13.213
  286   2H5*    G  29          2H5*        G  29  -8.469  -0.553  13.556
  287    H4*    G  29           H4*        G  29  -8.195  -0.528  11.189
  288    H3*    G  29           H3*        G  29  -8.767  -3.380  12.031
  289    H2*    G  29           H2*        G  29  -8.895  -3.916   9.743
  290   2HO*    G  29          2HO*        G  29  -9.757  -1.308   9.547
  291    H1*    G  29           H1*        G  29  -7.020  -1.898   9.030
  292    H8     G  29           H8         G  29  -5.033  -3.889  11.248
  293    H1     G  29           H1         G  29  -5.214  -6.276   5.304
  294   1H2     G  29          2H2         G  29  -7.009  -5.475   4.250
  295   2H2     G  29          1H2         G  29  -8.144  -4.373   5.000
  296   1H5*    G  30          1H5*        G  30 -12.431  -2.816  10.541
  297   2H5*    G  30          2H5*        G  30 -13.606  -4.033  11.070
  298    H4*    G  30           H4*        G  30 -12.301  -4.341   8.850
  299    H3*    G  30           H3*        G  30 -12.314  -6.546  10.934
  300    H2*    G  30           H2*        G  30 -11.177  -7.870   9.355
  301   2HO*    G  30          2HO*        G  30 -11.221  -7.299   7.101
  302    H1*    G  30           H1*        G  30 -10.171  -5.566   8.006
  303    H8     G  30           H8         G  30  -8.265  -5.534  11.099
  304    H1     G  30           H1         G  30  -5.825  -9.268   6.498
  305   1H2     G  30          2H2         G  30  -7.458  -9.749   5.046
  306   2H2     G  30          1H2         G  30  -9.094  -9.158   5.225
  307    H3T    G  30           H3T        G  30 -13.777  -6.236   8.501
  Start of MODEL   14
    1   1H5*    A   3          1H5*        A   3  -6.411   4.781  -8.475
    2   2H5*    A   3          2H5*        A   3  -7.719   5.865  -9.048
    3    H4*    A   3           H4*        A   3  -6.319   6.564 -10.933
    4    H3*    A   3           H3*        A   3  -4.370   4.596  -9.747
    5    H2*    A   3           H2*        A   3  -2.535   6.040  -9.906
    6   2HO*    A   3          2HO*        A   3  -2.401   7.669 -11.348
    7    H1*    A   3           H1*        A   3  -3.867   8.422  -9.290
    8    H8     A   3           H8         A   3  -5.205   6.541  -6.616
    9   1H6     A   3          2H6         A   3   0.010   7.931  -3.586
   10   2H6     A   3          1H6         A   3  -1.679   7.413  -3.421
   11    H2     A   3           H2         A   3   0.758   8.413  -7.986
   12   1H5*    G   4          1H5*        G   4  -2.580   4.138 -13.607
   13   2H5*    G   4          2H5*        G   4  -2.608   2.417 -14.031
   14    H4*    G   4           H4*        G   4  -0.321   3.270 -13.848
   15    H3*    G   4           H3*        G   4  -1.152   1.467 -11.562
   16    H2*    G   4           H2*        G   4   1.109   1.587 -10.759
   17   2HO*    G   4          2HO*        G   4   1.564   2.366 -13.382
   18    H1*    G   4           H1*        G   4   1.368   4.231 -11.193
   19    H8     G   4           H8         G   4  -2.114   3.872  -9.880
   20    H1     G   4           H1         G   4   2.358   5.109  -5.468
   21   1H2     G   4          2H2         G   4   4.369   4.653  -6.330
   22   2H2     G   4          1H2         G   4   4.595   4.054  -7.960
   23   1H5*    U   5          2H5*        U   5   2.497   0.232 -12.836
   24   2H5*    U   5          1H5*        U   5   2.977  -1.369 -12.226
   25    H4*    U   5           H4*        U   5   4.076   0.857 -11.312
   26    H3*    U   5           H3*        U   5   3.204  -1.418  -9.504
   27    H2*    U   5           H2*        U   5   4.267  -0.250  -7.770
   28   2HO*    U   5          2HO*        U   5   5.912   1.149  -8.090
   29    H1*    U   5           H1*        U   5   3.756   2.280  -8.905
   30    H3     U   5           H3         U   5   2.754   2.168  -4.394
   31    H5     U   5           H5         U   5  -0.824   1.826  -6.755
   32    H6     U   5           H6         U   5   0.559   1.307  -8.646
   33   1H5*    G   6          1H5*        G   6   7.265  -2.164  -8.907
   34   2H5*    G   6          2H5*        G   6   7.589  -3.884  -8.655
   35    H4*    G   6           H4*        G   6   7.962  -2.307  -6.686
   36    H3*    G   6           H3*        G   6   5.890  -4.492  -6.261
   37    H2*    G   6           H2*        G   6   5.850  -3.749  -4.000
   38   2HO*    G   6          2HO*        G   6   8.435  -3.041  -4.600
   39    H1*    G   6           H1*        G   6   6.424  -1.125  -4.657
   40    H8     G   6           H8         G   6   3.340  -1.798  -6.510
   41    H1     G   6           H1         G   6   2.397   0.158  -0.490
   42   1H2     G   6          2H2         G   6   4.318  -0.194   0.687
   43   2H2     G   6          1H2         G   6   5.758  -0.888  -0.026
   44   1H5*    G   7          1H5*        G   7   5.357  -7.647  -3.785
   45   2H5*    G   7          2H5*        G   7   5.185  -6.164  -4.762
   46    H4*    G   7           H4*        G   7   6.735  -5.446  -2.506
   47    H3*    G   7           H3*        G   7   4.572  -7.402  -1.743
   48    H2*    G   7           H2*        G   7   3.790  -5.998  -0.058
   49   2HO*    G   7          2HO*        G   7   5.084  -4.431   0.923
   50    H1*    G   7           H1*        G   7   4.631  -3.586  -1.198
   51    H8     G   7           H8         G   7   2.493  -4.799  -3.791
   52    H1     G   7           H1         G   7  -0.944  -2.050   0.861
   53   1H2     G   7          2H2         G   7   0.298  -1.988   2.774
   54   2H2     G   7          1H2         G   7   1.932  -2.608   2.878
   55   1H5*   CH   8          1H5*       CH   8   3.133  -8.729   1.017
   56   2H5*   CH   8          2H5*       CH   8   4.601  -9.415   1.740
   57    H4*   CH   8           H4*       CH   8   4.375  -7.912   3.670
   58    H3*   CH   8           H3*       CH   8   1.985  -9.582   2.945
   59    H2*   CH   8           H2*       CH   8   1.004  -8.891   5.048
   60   2HO*   CH   8          2HO*       CH   8   2.229  -7.317   6.303
   61    H1*   CH   8           H1*       CH   8   1.545  -6.334   4.674
   62    HN3   CH   8           H3        CH   8  -2.644  -5.613   3.431
   63   1H4    CH   8          1H4        CH   8  -2.948  -6.161  -0.076
   64   2H4    CH   8          2H4        CH   8  -3.686  -5.523   1.354
   65    H5    CH   8           H5        CH   8  -0.711  -7.106  -0.058
   66    H6    CH   8           H6        CH   8   1.151  -7.838   1.368
   67   1H5*    G   9          1H5*        G   9   1.271 -12.833   2.635
   68   2H5*    G   9          2H5*        G   9   1.935 -12.937   0.984
   69    H4*    G   9           H4*        G   9   0.335 -10.516   1.827
   70    H3*    G   9           H3*        G   9  -0.750 -13.279   1.361
   71    H2*    G   9           H2*        G   9  -2.621 -12.378   0.342
   72   2HO*    G   9          2HO*        G   9  -1.710  -9.854   1.270
   73    H1*    G   9           H1*        G   9  -1.289 -10.390  -1.065
   74    H8     G   9           H8         G   9  -2.768 -11.870  -2.813
   75    H1     G   9           H1         G   9   1.672 -16.447  -2.730
   76   1H2     G   9          1H2         G   9   3.110 -16.076  -1.079
   77   2H2     G   9          2H2         G   9   2.971 -14.704  -0.004
   78   1H5*    C  10          1H5*        C  10  -4.155 -14.586   2.016
   79   2H5*    C  10          2H5*        C  10  -4.460 -13.558   0.611
   80    H4*    C  10           H4*        C  10  -6.540 -14.472   1.586
   81    H3*    C  10           H3*        C  10  -6.109 -11.492   1.713
   82    H2*    C  10           H2*        C  10  -8.345 -11.269   2.592
   83   2HO*    C  10          2HO*        C  10  -8.582 -13.793   1.469
   84    H1*    C  10           H1*        C  10  -8.107 -13.331   4.308
   85   1H4     C  10          2H4         C  10  -5.932  -9.519   8.738
   86   2H4     C  10          1H4         C  10  -4.319  -9.630   8.036
   87    H5     C  10           H5         C  10  -3.870 -10.641   5.871
   88    H6     C  10           H6         C  10  -4.854 -11.836   3.993
   89   1H5*    C  11          2H5*        C  11  -9.496  -9.380  -2.276
   90   2H5*    C  11          1H5*        C  11  -7.826  -8.844  -1.944
   91    H4*    C  11           H4*        C  11 -10.104  -9.288   0.007
   92    H3*    C  11           H3*        C  11  -8.315  -6.907  -0.592
   93    H2*    C  11           H2*        C  11  -8.667  -6.205   1.606
   94   2HO*    C  11          2HO*        C  11 -10.518  -6.774   2.777
   95    H1*    C  11           H1*        C  11  -9.299  -8.903   2.469
   96   1H4     C  11          2H4         C  11  -4.528  -7.899   6.441
   97   2H4     C  11          1H4         C  11  -3.562  -8.834   5.304
   98    H5     C  11           H5         C  11  -4.273  -9.407   3.135
   99    H6     C  11           H6         C  11  -6.115  -9.301   1.504
  100   1H5*    G  12          1H5*        G  12 -10.293  -2.327  -0.871
  101   2H5*    G  12          2H5*        G  12  -8.919  -3.459  -1.069
  102    H4*    G  12           H4*        G  12 -10.476  -3.498   1.487
  103    H3*    G  12           H3*        G  12  -8.536  -1.266   0.789
  104    H2*    G  12           H2*        G  12  -7.824  -1.338   3.022
  105   2HO*    G  12          2HO*        G  12  -9.160  -2.225   4.670
  106    H1*    G  12           H1*        G  12  -8.697  -4.045   3.346
  107    H8     G  12           H8         G  12  -5.869  -4.618   1.200
  108    H1     G  12           H1         G  12  -4.229  -4.013   7.328
  109   1H2     G  12          2H2         G  12  -5.878  -2.998   8.457
  110   2H2     G  12          1H2         G  12  -7.365  -2.464   7.675
  111   1H5*    A  13          2H5*        A  13  -9.490   2.606   4.227
  112   2H5*    A  13          1H5*        A  13 -10.630   3.285   3.046
  113    H4*    A  13           H4*        A  13  -7.970   2.090   2.224
  114    H3*    A  13           H3*        A  13  -8.596   4.883   3.175
  115    H2*    A  13           H2*        A  13  -7.410   5.799   1.475
  116   2HO*    A  13          2HO*        A  13  -5.617   4.583   0.500
  117    H1*    A  13           H1*        A  13  -7.454   3.425  -0.250
  118    H8     A  13           H8         A  13 -10.702   5.246   0.121
  119   1H6     A  13          2H6         A  13  -8.925   8.813  -4.587
  120   2H6     A  13          1H6         A  13 -10.279   8.340  -3.588
  121    H2     A  13           H2         A  13  -5.375   6.434  -3.219
  122   1H5*    C  14          1H5*        C  14  -5.221   2.521   4.466
  123   2H5*    C  14          2H5*        C  14  -6.463   1.506   5.274
  124    H4*    C  14           H4*        C  14  -4.812   1.554   7.294
  125    H3*    C  14           H3*        C  14  -3.119   2.666   5.108
  126    H2*    C  14           H2*        C  14  -1.397   1.061   5.339
  127   2HO*    C  14          2HO*        C  14  -1.156  -0.137   7.175
  128    H1*    C  14           H1*        C  14  -2.805  -1.116   5.744
  129   1H4     C  14          2H4         C  14  -2.781  -1.724  -0.493
  130   2H4     C  14          1H4         C  14  -4.394  -1.086  -0.490
  131    H5     C  14           H5         C  14  -5.452  -0.102   1.403
  132    H6     C  14           H6         C  14  -5.175   0.441   3.747
  133   1H5*    C  15          1H5*        C  15  -0.237   1.768   7.641
  134   2H5*    C  15          2H5*        C  15   0.644   3.163   8.253
  135    H4*    C  15           H4*        C  15   2.229   1.477   7.531
  136    H3*    C  15           H3*        C  15   2.086   3.739   5.515
  137    H2*    C  15           H2*        C  15   3.989   2.683   4.458
  138   2HO*    C  15          2HO*        C  15   4.995   0.847   5.425
  139    H1*    C  15           H1*        C  15   2.932   0.182   4.756
  140   1H4     C  15          2H4         C  15   0.182   0.843  -0.870
  141   2H4     C  15          1H4         C  15  -1.196   1.543  -0.056
  142    H5     C  15           H5         C  15  -1.199   2.186   2.259
  143    H6     C  15           H6         C  15   0.130   2.252   4.294
  144   1H5*    A  16          1H5*        A  16   5.843   2.840   5.813
  145   2H5*    A  16          2H5*        A  16   6.892   4.263   5.865
  146    H4*    A  16           H4*        A  16   7.554   2.768   4.057
  147    H3*    A  16           H3*        A  16   6.313   5.379   3.164
  148    H2*    A  16           H2*        A  16   6.916   4.788   0.917
  149   2HO*    A  16          2HO*        A  16   8.390   3.031   0.517
  150    H1*    A  16           H1*        A  16   6.302   2.152   1.159
  151    H8     A  16           H8         A  16   3.300   3.774   2.673
  152   1H6     A  16          1H6         A  16   1.632   2.370  -3.037
  153   2H6     A  16          2H6         A  16   0.473   2.919  -2.092
  154    H2     A  16           H2         A  16   5.297   2.264  -3.251
  155   1H5*    C  17          1H5*        C  17   8.587   8.029   0.298
  156   2H5*    C  17          2H5*        C  17   7.193   7.030   0.807
  157    H4*    C  17           H4*        C  17   9.035   5.602  -0.975
  158    H3*    C  17           H3*        C  17   7.620   8.094  -1.950
  159    H2*    C  17           H2*        C  17   7.199   6.982  -4.003
  160   2HO*    C  17          2HO*        C  17   8.262   4.946  -4.504
  161    H1*    C  17           H1*        C  17   6.733   4.507  -2.787
  162   1H4     C  17          2H4         C  17   0.741   5.832  -3.774
  163   2H4     C  17          1H4         C  17   0.672   6.425  -2.115
  164    H5     C  17           H5         C  17   2.621   6.759  -0.734
  165    H6     C  17           H6         C  17   5.108   6.566  -0.665
  166   1H5*    U  18          1H5*        U  18  10.223  10.122  -6.226
  167   2H5*    U  18          2H5*        U  18   9.131  10.775  -4.991
  168    H4*    U  18           H4*        U  18   8.436   8.570  -6.966
  169    H3*    U  18           H3*        U  18   8.150  11.402  -7.345
  170    H2*    U  18           H2*        U  18   5.791  11.395  -6.663
  171   2HO*    U  18          2HO*        U  18   4.719   9.609  -8.154
  172    H1*    U  18           H1*        U  18   5.784   8.537  -7.027
  173    H3     U  18           H3         U  18   1.615   8.522  -5.382
  174    H5     U  18           H5         U  18   4.193   9.226  -2.130
  175    H6     U  18           H6         U  18   5.946   9.750  -3.750
  176   1H5*    U  19          1H5*        U  19  10.032   7.342  -9.206
  177   2H5*    U  19          2H5*        U  19  11.170   7.937 -10.435
  178    H4*    U  19           H4*        U  19  10.355   5.603 -11.017
  179    H3*    U  19           H3*        U  19  10.326   7.803 -12.830
  180    H2*    U  19           H2*        U  19   8.029   8.048 -12.972
  181   2HO*    U  19          2HO*        U  19   7.394   7.045 -14.808
  182    H1*    U  19           H1*        U  19   7.650   5.100 -12.657
  183    H3     U  19           H3         U  19   3.202   5.426 -12.810
  184    H5     U  19           H5         U  19   4.273   8.855 -10.610
  185    H6     U  19           H6         U  19   6.590   8.267 -10.935
  186   1H5*    A  20          2H5*        A  20  14.261   5.658 -12.020
  187   2H5*    A  20          1H5*        A  20  14.376   4.029 -12.713
  188    H4*    A  20           H4*        A  20  14.987   4.308 -10.234
  189    H3*    A  20           H3*        A  20  13.395   2.244 -11.567
  190    H2*    A  20           H2*        A  20  12.017   1.634  -9.896
  191   2HO*    A  20          2HO*        A  20  13.907   0.812  -8.775
  192    H1*    A  20           H1*        A  20  12.450   3.663  -7.967
  193    H8     A  20           H8         A  20  10.385   2.542 -11.062
  194   1H6     A  20          1H6         A  20   5.679   5.485  -8.490
  195   2H6     A  20          2H6         A  20   6.197   4.484  -9.827
  196    H2     A  20           H2         A  20   9.296   6.270  -5.974
  197   1H5*    A  21          1H5*        A  21  14.477  -2.366  -9.206
  198   2H5*    A  21          2H5*        A  21  13.304  -1.468 -10.188
  199    H4*    A  21           H4*        A  21  13.428  -1.428  -7.133
  200    H3*    A  21           H3*        A  21  12.026  -3.132  -9.135
  201    H2*    A  21           H2*        A  21  10.066  -2.056  -8.934
  202   2HO*    A  21          2HO*        A  21   9.305  -3.516  -7.536
  203    H1*    A  21           H1*        A  21  11.006  -0.829  -6.379
  204    H8     A  21           H8         A  21   8.759  -0.372  -9.479
  205   1H6     A  21          2H6         A  21   6.018   4.142  -6.292
  206   2H6     A  21          1H6         A  21   5.885   3.098  -7.700
  207    H2     A  21           H2         A  21   9.699   3.063  -4.132
  208   1H5*    A  22          2H5*        A  22  14.579  -4.248  -4.011
  209   2H5*    A  22          1H5*        A  22  12.928  -3.838  -4.435
  210    H4*    A  22           H4*        A  22  15.097  -1.816  -3.760
  211    H3*    A  22           H3*        A  22  13.207  -3.358  -2.055
  212    H2*    A  22           H2*        A  22  12.138  -1.582  -1.244
  213   2HO*    A  22          2HO*        A  22  14.049  -1.181   0.018
  214    H1*    A  22           H1*        A  22  13.487   0.465  -2.871
  215    H8     A  22           H8         A  22  10.440  -1.336  -4.179
  216   1H6     A  22          1H6         A  22   7.059   3.167  -1.667
  217   2H6     A  22          2H6         A  22   7.016   1.789  -2.737
  218    H2     A  22           H2         A  22  11.276   3.652  -0.268
  219   1H5*    A  23          1H5*        A  23  16.102  -5.282   1.624
  220   2H5*    A  23          2H5*        A  23  14.732  -5.220   0.495
  221    H4*    A  23           H4*        A  23  15.849  -2.782   1.921
  222    H3*    A  23           H3*        A  23  14.060  -4.910   2.879
  223    H2*    A  23           H2*        A  23  12.134  -3.774   2.917
  224   2HO*    A  23          2HO*        A  23  12.469  -2.655   4.724
  225    H1*    A  23           H1*        A  23  13.027  -1.229   1.821
  226    H8     A  23           H8         A  23  11.924  -4.416  -0.250
  227   1H6     A  23          2H6         A  23   6.680  -1.410  -1.206
  228   2H6     A  23          1H6         A  23   7.590  -2.870  -1.516
  229    H2     A  23           H2         A  23   9.311   1.226   1.304
  230   1H5*    A  24          2H5*        A  24  13.699  -5.522   7.764
  231   2H5*    A  24          1H5*        A  24  13.216  -5.717   6.067
  232    H4*    A  24           H4*        A  24  12.442  -3.321   7.822
  233    H3*    A  24           H3*        A  24  10.853  -5.693   7.071
  234    H2*    A  24           H2*        A  24   9.091  -4.286   7.120
  235   2HO*    A  24          2HO*        A  24  10.003  -3.569   9.418
  236    H1*    A  24           H1*        A  24  10.798  -1.878   6.583
  237    H8     A  24           H8         A  24   9.639  -4.519   4.067
  238   1H6     A  24          1H6         A  24   5.006  -0.719   2.784
  239   2H6     A  24          2H6         A  24   5.821  -2.203   2.342
  240    H2     A  24           H2         A  24   7.349   1.056   6.166
  241   1H5*    C  25          2H5*        C  25  10.736  -5.039  13.378
  242   2H5*    C  25          1H5*        C  25  12.237  -4.157  13.031
  243    H4*    C  25           H4*        C  25  13.046  -6.064  11.685
  244    H3*    C  25           H3*        C  25  10.272  -6.945  12.018
  245    H2*    C  25           H2*        C  25  10.585  -8.755  13.289
  246   2HO*    C  25          2HO*        C  25  11.536  -9.571  11.172
  247    H1*    C  25           H1*        C  25  13.467  -8.663  13.674
  248   1H4     C  25          2H4         C  25  11.285  -9.804  19.523
  249   2H4     C  25          1H4         C  25   9.996  -8.637  19.336
  250    H5     C  25           H5         C  25   9.666  -7.346  17.331
  251    H6     C  25           H6         C  25  10.452  -6.943  15.046
  252   1H5*    A  26          2H5*        A  26   7.973  -7.955  10.069
  253   2H5*    A  26          1H5*        A  26   7.695  -7.713   8.333
  254    H4*    A  26           H4*        A  26   8.228  -5.510  10.364
  255    H3*    A  26           H3*        A  26   5.770  -6.733   9.213
  256    H2*    A  26           H2*        A  26   4.835  -4.777   8.546
  257   2HO*    A  26          2HO*        A  26   6.342  -3.344  10.482
  258    H1*    A  26           H1*        A  26   7.157  -3.113   8.448
  259    H8     A  26           H8         A  26   7.630  -5.531   5.706
  260   1H6     A  26          2H6         A  26   3.346  -2.719   2.413
  261   2H6     A  26          1H6         A  26   4.747  -3.760   2.373
  262    H2     A  26           H2         A  26   2.616  -1.710   6.673
  263   1H5*    A  27          2H5*        A  27   2.587  -7.769  12.706
  264   2H5*    A  27          1H5*        A  27   2.068  -7.224  11.097
  265    H4*    A  27           H4*        A  27   3.636  -5.698  13.186
  266    H3*    A  27           H3*        A  27   0.975  -5.455  11.822
  267    H2*    A  27           H2*        A  27   1.152  -3.196  11.457
  268   2HO*    A  27          2HO*        A  27   1.733  -2.360  13.378
  269    H1*    A  27           H1*        A  27   3.762  -2.984  10.843
  270    H8     A  27           H8         A  27   2.961  -5.917   8.739
  271   1H6     A  27          1H6         A  27  -0.571  -2.526   5.181
  272   2H6     A  27          2H6         A  27   0.375  -3.995   5.362
  273    H2     A  27           H2         A  27   0.395  -0.036   8.734
  274   1H5*    C  28          2H5*        C  28  -1.037  -2.631  15.399
  275   2H5*    C  28          1H5*        C  28  -2.326  -3.848  15.407
  276    H4*    C  28           H4*        C  28  -2.892  -1.330  14.887
  277    H3*    C  28           H3*        C  28  -3.940  -3.823  13.628
  278    H2*    C  28           H2*        C  28  -5.007  -2.772  11.878
  279   2HO*    C  28          2HO*        C  28  -6.188  -1.273  12.996
  280    H1*    C  28           H1*        C  28  -3.249  -0.693  11.385
  281   1H4     C  28          2H4         C  28  -2.090  -5.129   7.037
  282   2H4     C  28          1H4         C  28  -0.541  -5.369   7.861
  283    H5     C  28           H5         C  28  -0.050  -4.464  10.115
  284    H6     C  28           H6         C  28  -0.985  -2.934  11.906
  285   1H5*    G  29          1H5*        G  29  -7.009  -1.661  15.037
  286   2H5*    G  29          2H5*        G  29  -8.550  -2.037  15.832
  287    H4*    G  29           H4*        G  29  -8.783  -1.631  13.405
  288    H3*    G  29           H3*        G  29  -9.183  -4.518  14.234
  289    H2*    G  29           H2*        G  29  -9.667  -5.057  12.013
  290   2HO*    G  29          2HO*        G  29 -10.374  -3.466  10.519
  291    H1*    G  29           H1*        G  29  -8.127  -2.848  10.967
  292    H8     G  29           H8         G  29  -5.624  -4.769  12.571
  293    H1     G  29           H1         G  29  -6.730  -6.816   6.623
  294   1H2     G  29          2H2         G  29  -8.761  -6.176   5.967
  295   2H2     G  29          1H2         G  29  -9.844  -5.248   6.986
  296   1H5*    G  30          1H5*        G  30 -13.325  -6.056  15.663
  297   2H5*    G  30          2H5*        G  30 -11.878  -7.030  15.321
  298    H4*    G  30           H4*        G  30 -14.493  -6.747  13.844
  299    H3*    G  30           H3*        G  30 -12.770  -8.985  14.843
  300    H2*    G  30           H2*        G  30 -13.222 -10.367  12.971
  301   2HO*    G  30          2HO*        G  30 -14.802  -9.565  11.385
  302    H1*    G  30           H1*        G  30 -13.120  -8.514  11.049
  303    H8     G  30           H8         G  30 -10.522  -7.652  13.701
  304    H1     G  30           H1         G  30  -8.263 -10.147   8.260
  305   1H2     G  30          2H2         G  30  -9.958 -11.033   7.108
  306   2H2     G  30          1H2         G  30 -11.614 -11.008   7.675
  307    H3T    G  30           H3T        G  30 -14.814  -8.457  15.780
  Start of MODEL   15
    1   1H5*    A   3          1H5*        A   3  -7.013   4.972  -6.355
    2   2H5*    A   3          2H5*        A   3  -8.017   5.256  -7.796
    3    H4*    A   3           H4*        A   3  -6.626   3.682  -9.082
    4    H3*    A   3           H3*        A   3  -5.590   3.036  -6.419
    5    H2*    A   3           H2*        A   3  -3.448   3.791  -6.584
    6   2HO*    A   3          2HO*        A   3  -3.671   2.286  -8.777
    7    H1*    A   3           H1*        A   3  -3.450   5.202  -9.024
    8    H8     A   3           H8         A   3  -5.301   7.437  -6.963
    9   1H6     A   3          1H6         A   3   0.444   9.278  -6.269
   10   2H6     A   3          2H6         A   3  -0.812  10.237  -5.888
   11    H2     A   3           H2         A   3   0.921   5.823  -7.518
   12   1H5*    G   4          1H5*        G   4  -3.529   1.445 -10.332
   13   2H5*    G   4          2H5*        G   4  -3.237  -0.292 -10.228
   14    H4*    G   4           H4*        G   4  -1.379   1.057 -11.268
   15    H3*    G   4           H3*        G   4  -0.993  -0.625  -8.822
   16    H2*    G   4           H2*        G   4   1.155   0.232  -8.343
   17   2HO*    G   4          2HO*        G   4   2.255   1.526  -9.925
   18    H1*    G   4           H1*        G   4   0.826   2.777  -9.125
   19    H8     G   4           H8         G   4  -2.285   1.870  -7.214
   20    H1     G   4           H1         G   4   2.171   5.143  -3.935
   21   1H2     G   4          2H2         G   4   4.094   4.994  -5.087
   22   2H2     G   4          1H2         G   4   4.226   4.120  -6.589
   23   1H5*    U   5          1H5*        U   5   2.441  -0.338 -10.525
   24   2H5*    U   5          2H5*        U   5   3.588  -1.650 -10.458
   25    H4*    U   5           H4*        U   5   4.244   0.371  -9.117
   26    H3*    U   5           H3*        U   5   3.815  -2.187  -7.543
   27    H2*    U   5           H2*        U   5   4.804  -1.034  -5.729
   28   2HO*    U   5          2HO*        U   5   5.983   0.902  -6.070
   29    H1*    U   5           H1*        U   5   3.897   1.463  -6.700
   30    H3     U   5           H3         U   5   2.797   1.824  -2.389
   31    H5     U   5           H5         U   5  -0.529   0.202  -4.370
   32    H6     U   5           H6         U   5   0.916  -0.322  -6.227
   33   1H5*    G   6          1H5*        G   6   7.967  -3.343  -7.277
   34   2H5*    G   6          2H5*        G   6   7.724  -5.074  -6.964
   35    H4*    G   6           H4*        G   6   8.383  -3.464  -5.005
   36    H3*    G   6           H3*        G   6   5.923  -5.165  -4.674
   37    H2*    G   6           H2*        G   6   6.266  -4.594  -2.328
   38   2HO*    G   6          2HO*        G   6   8.809  -4.025  -3.308
   39    H1*    G   6           H1*        G   6   6.874  -2.021  -3.002
   40    H8     G   6           H8         G   6   3.770  -2.814  -4.949
   41    H1     G   6           H1         G   6   2.863  -0.190   0.829
   42   1H2     G   6          2H2         G   6   4.801  -0.441   2.023
   43   2H2     G   6          1H2         G   6   6.221  -1.230   1.372
   44   1H5*    G   7          1H5*        G   7   4.439  -8.534  -3.588
   45   2H5*    G   7          2H5*        G   7   4.804  -7.054  -4.505
   46    H4*    G   7           H4*        G   7   5.596  -6.621  -1.790
   47    H3*    G   7           H3*        G   7   2.900  -7.964  -2.032
   48    H2*    G   7           H2*        G   7   2.110  -6.524  -0.368
   49   2HO*    G   7          2HO*        G   7   4.739  -6.663   0.476
   50    H1*    G   7           H1*        G   7   3.930  -4.465  -1.005
   51    H8     G   7           H8         G   7   2.092  -4.600  -4.053
   52    H1     G   7           H1         G   7  -1.173  -1.409   0.458
   53   1H2     G   7          2H2         G   7  -0.361  -2.025   2.503
   54   2H2     G   7          1H2         G   7   0.946  -3.172   2.707
   55   1H5*   CH   8          1H5*       CH   8   2.542 -11.314   2.154
   56   2H5*   CH   8          2H5*       CH   8   4.100 -10.473   2.146
   57    H4*   CH   8           H4*       CH   8   3.333  -9.600   4.098
   58    H3*   CH   8           H3*       CH   8   0.601 -10.267   3.007
   59    H2*   CH   8           H2*       CH   8  -0.381  -8.742   4.569
   60   2HO*   CH   8          2HO*       CH   8   2.244  -8.763   5.675
   61    H1*   CH   8           H1*       CH   8   1.243  -6.837   4.244
   62    HN3   CH   8           H3        CH   8  -2.322  -5.251   2.085
   63   1H4    CH   8          1H4        CH   8  -1.874  -5.778  -1.421
   64   2H4    CH   8          2H4        CH   8  -2.787  -4.965  -0.185
   65    H5    CH   8           H5        CH   8   0.051  -7.181  -0.887
   66    H6    CH   8           H6        CH   8   1.294  -8.271   0.934
   67   1H5*    G   9          1H5*        G   9  -2.947 -12.186   5.288
   68   2H5*    G   9          2H5*        G   9  -1.904 -13.075   6.414
   69    H4*    G   9           H4*        G   9  -1.670 -14.752   4.386
   70    H3*    G   9           H3*        G   9  -3.802 -12.949   3.410
   71    H2*    G   9           H2*        G   9  -5.589 -14.444   3.300
   72   2HO*    G   9          2HO*        G   9  -4.423 -15.778   1.852
   73    H1*    G   9           H1*        G   9  -4.786 -16.377   5.114
   74    H8     G   9           H8         G   9  -5.278 -12.536   5.406
   75    H1     G   9           H1         G   9  -9.584 -16.052   8.525
   76   1H2     G   9          2H2         G   9  -9.123 -18.208   8.283
   77   2H2     G   9          1H2         G   9  -7.756 -18.778   7.354
   78   1H5*    C  10          1H5*        C  10  -1.896 -10.734   1.155
   79   2H5*    C  10          2H5*        C  10  -2.160 -11.696   2.649
   80    H4*    C  10           H4*        C  10  -3.475 -13.200   0.760
   81    H3*    C  10           H3*        C  10  -3.996 -10.284   0.198
   82    H2*    C  10           H2*        C  10  -6.199 -10.797  -0.177
   83   2HO*    C  10          2HO*        C  10  -6.879 -12.702  -0.990
   84    H1*    C  10           H1*        C  10  -6.243 -12.984   1.788
   85   1H4     C  10          2H4         C  10  -9.709  -9.440   5.308
   86   2H4     C  10          1H4         C  10 -10.765  -9.872   3.971
   87    H5     C  10           H5         C  10 -10.090 -10.923   2.151
   88    H6     C  10           H6         C  10  -8.145 -11.739   0.776
   89   1H5*    C  11          2H5*        C  11  -5.619  -8.972  -4.557
   90   2H5*    C  11          1H5*        C  11  -4.418  -8.144  -3.527
   91    H4*    C  11           H4*        C  11  -7.364  -8.614  -3.059
   92    H3*    C  11           H3*        C  11  -5.496  -6.253  -2.709
   93    H2*    C  11           H2*        C  11  -6.892  -5.421  -0.978
   94   2HO*    C  11          2HO*        C  11  -8.994  -6.236  -0.647
   95    H1*    C  11           H1*        C  11  -7.591  -7.976  -0.027
   96   1H4     C  11          2H4         C  11  -3.372  -6.949   4.487
   97   2H4     C  11          1H4         C  11  -2.206  -7.801   3.479
   98    H5     C  11           H5         C  11  -2.645  -8.433   1.162
   99    H6     C  11           H6         C  11  -4.236  -8.273  -0.663
  100   1H5*    G  12          1H5*        G  12  -7.222  -1.605  -4.164
  101   2H5*    G  12          2H5*        G  12  -5.864  -2.567  -3.519
  102    H4*    G  12           H4*        G  12  -8.452  -2.024  -2.008
  103    H3*    G  12           H3*        G  12  -5.888  -0.404  -2.009
  104    H2*    G  12           H2*        G  12  -6.156  -0.055   0.306
  105   2HO*    G  12          2HO*        G  12  -8.783  -0.040  -0.390
  106    H1*    G  12           H1*        G  12  -7.606  -2.497   0.685
  107    H8     G  12           H8         G  12  -4.519  -3.662  -0.685
  108    H1     G  12           H1         G  12  -4.301  -3.347   5.667
  109   1H2     G  12          2H2         G  12  -5.892  -2.016   6.466
  110   2H2     G  12          1H2         G  12  -7.029  -1.168   5.409
  111   1H5*    A  13          1H5*        A  13  -7.510   4.551  -1.304
  112   2H5*    A  13          2H5*        A  13  -6.105   3.950  -0.400
  113    H4*    A  13           H4*        A  13  -7.547   5.394   0.993
  114    H3*    A  13           H3*        A  13  -6.715   2.708   1.638
  115    H2*    A  13           H2*        A  13  -8.604   1.810   2.418
  116   2HO*    A  13          2HO*        A  13  -7.880   2.945   4.368
  117    H1*    A  13           H1*        A  13 -10.361   4.135   2.477
  118    H8     A  13           H8         A  13 -11.338   1.423   3.061
  119   1H6     A  13          2H6         A  13 -13.411  -0.653  -2.354
  120   2H6     A  13          1H6         A  13 -13.458  -0.876  -0.620
  121    H2     A  13           H2         A  13 -10.691   2.837  -3.146
  122   1H5*    C  14          2H5*        C  14  -6.005   3.265   5.135
  123   2H5*    C  14          1H5*        C  14  -4.781   4.472   5.682
  124    H4*    C  14           H4*        C  14  -4.471   2.458   6.967
  125    H3*    C  14           H3*        C  14  -2.525   2.731   4.741
  126    H2*    C  14           H2*        C  14  -1.397   0.738   5.229
  127   2HO*    C  14          2HO*        C  14  -1.840  -0.410   6.987
  128    H1*    C  14           H1*        C  14  -3.458  -0.662   5.083
  129   1H4     C  14          2H4         C  14  -2.525  -0.312  -1.047
  130   2H4     C  14          1H4         C  14  -3.831   0.829  -1.148
  131    H5     C  14           H5         C  14  -4.868   1.875   0.767
  132    H6     C  14           H6         C  14  -4.853   1.986   3.207
  133   1H5*    C  15          1H5*        C  15   1.131   1.998   9.558
  134   2H5*    C  15          2H5*        C  15   1.851   3.608   9.533
  135    H4*    C  15           H4*        C  15   3.306   1.716   8.673
  136    H3*    C  15           H3*        C  15   2.825   3.984   6.737
  137    H2*    C  15           H2*        C  15   4.520   2.870   5.370
  138   2HO*    C  15          2HO*        C  15   5.521   0.931   6.235
  139    H1*    C  15           H1*        C  15   3.612   0.380   5.926
  140   1H4     C  15          2H4         C  15   0.661   0.475   0.403
  141   2H4     C  15          1H4         C  15  -0.699   1.278   1.154
  142    H5     C  15           H5         C  15  -0.635   2.214   3.386
  143    H6     C  15           H6         C  15   0.648   2.367   5.411
  144   1H5*    A  16          2H5*        A  16   7.108   6.627   6.264
  145   2H5*    A  16          1H5*        A  16   5.743   6.654   5.132
  146    H4*    A  16           H4*        A  16   8.451   5.359   4.884
  147    H3*    A  16           H3*        A  16   6.740   7.202   3.248
  148    H2*    A  16           H2*        A  16   7.216   6.176   1.196
  149   2HO*    A  16          2HO*        A  16   8.989   4.705   0.988
  150    H1*    A  16           H1*        A  16   7.230   3.647   1.862
  151    H8     A  16           H8         A  16   4.374   4.950   3.948
  152   1H6     A  16          2H6         A  16   1.113   2.229  -0.607
  153   2H6     A  16          1H6         A  16   1.027   2.938   1.017
  154    H2     A  16           H2         A  16   5.436   2.692  -1.902
  155   1H5*    C  17          2H5*        C  17   9.226   9.774   0.376
  156   2H5*    C  17          1H5*        C  17   7.517  10.119   0.036
  157    H4*    C  17           H4*        C  17   9.080   7.604  -0.602
  158    H3*    C  17           H3*        C  17   8.070   9.900  -2.182
  159    H2*    C  17           H2*        C  17   6.681   8.694  -3.651
  160   2HO*    C  17          2HO*        C  17   7.532   6.374  -4.209
  161    H1*    C  17           H1*        C  17   6.796   6.199  -2.238
  162   1H4     C  17          2H4         C  17   0.674   5.794  -2.168
  163   2H4     C  17          1H4         C  17   0.651   6.703  -0.657
  164    H5     C  17           H5         C  17   2.566   7.764   0.262
  165    H6     C  17           H6         C  17   5.036   8.295  -0.128
  166   1H5*    U  18          2H5*        U  18  10.322   6.732  -6.785
  167   2H5*    U  18          1H5*        U  18  10.922   8.361  -6.602
  168    H4*    U  18           H4*        U  18   8.749   7.755  -8.001
  169    H3*    U  18           H3*        U  18   9.708  10.191  -6.670
  170    H2*    U  18           H2*        U  18   8.013   9.632  -5.131
  171   2HO*    U  18          2HO*        U  18   7.906  11.731  -5.220
  172    H1*    U  18           H1*        U  18   6.448   8.771  -7.580
  173    H3     U  18           H3         U  18   1.941   8.357  -6.483
  174    H5     U  18           H5         U  18   3.530  12.132  -5.092
  175    H6     U  18           H6         U  18   5.675  11.289  -5.271
  176   1H5*    U  19          2H5*        U  19  10.056   8.355 -10.017
  177   2H5*    U  19          1H5*        U  19  10.688   9.255 -11.404
  178    H4*    U  19           H4*        U  19  10.188   6.797 -11.945
  179    H3*    U  19           H3*        U  19   9.535   8.997 -13.652
  180    H2*    U  19           H2*        U  19   7.190   8.807 -13.454
  181   2HO*    U  19          2HO*        U  19   6.494   7.573 -15.167
  182    H1*    U  19           H1*        U  19   7.485   5.834 -13.159
  183    H3     U  19           H3         U  19   3.059   5.283 -12.936
  184    H5     U  19           H5         U  19   3.694   8.663 -10.499
  185    H6     U  19           H6         U  19   6.009   8.589 -11.122
  186   1H5*    A  20          2H5*        A  20  12.209   4.255 -13.556
  187   2H5*    A  20          1H5*        A  20  10.523   4.771 -13.472
  188    H4*    A  20           H4*        A  20  12.365   4.826 -11.106
  189    H3*    A  20           H3*        A  20  11.529   2.462 -12.427
  190    H2*    A  20           H2*        A  20   9.540   2.055 -11.533
  191   2HO*    A  20          2HO*        A  20   9.612   1.650  -9.144
  192    H1*    A  20           H1*        A  20   9.701   3.820  -9.206
  193    H8     A  20           H8         A  20   7.525   2.594 -12.227
  194   1H6     A  20          1H6         A  20   2.795   5.363  -9.605
  195   2H6     A  20          2H6         A  20   3.332   4.301 -10.887
  196    H2     A  20           H2         A  20   6.420   6.539  -7.292
  197   1H5*    A  21          2H5*        A  21  14.612   0.190  -8.443
  198   2H5*    A  21          1H5*        A  21  13.143   0.457  -9.400
  199    H4*    A  21           H4*        A  21  13.400   0.326  -6.367
  200    H3*    A  21           H3*        A  21  12.361  -1.402  -8.512
  201    H2*    A  21           H2*        A  21  10.226  -0.632  -8.359
  202   2HO*    A  21          2HO*        A  21   9.059  -1.627  -6.661
  203    H1*    A  21           H1*        A  21  10.777   0.259  -5.544
  204    H8     A  21           H8         A  21   8.232   0.292  -8.245
  205   1H6     A  21          2H6         A  21   5.705   5.222  -5.520
  206   2H6     A  21          1H6         A  21   5.550   4.059  -6.829
  207    H2     A  21           H2         A  21   9.558   4.421  -3.512
  208   1H5*    A  22          2H5*        A  22  14.830  -3.319  -3.592
  209   2H5*    A  22          1H5*        A  22  13.211  -2.881  -4.125
  210    H4*    A  22           H4*        A  22  15.277  -0.937  -3.023
  211    H3*    A  22           H3*        A  22  13.072  -2.488  -1.707
  212    H2*    A  22           H2*        A  22  12.269  -0.682  -0.626
  213   2HO*    A  22          2HO*        A  22  14.168  -0.471   0.614
  214    H1*    A  22           H1*        A  22  13.678   1.338  -2.209
  215    H8     A  22           H8         A  22  10.624  -0.544  -3.500
  216   1H6     A  22          2H6         A  22   7.157   3.961  -1.185
  217   2H6     A  22          1H6         A  22   7.182   2.508  -2.164
  218    H2     A  22           H2         A  22  11.398   4.661   0.142
  219   1H5*    A  23          2H5*        A  23  14.560  -5.389   1.749
  220   2H5*    A  23          1H5*        A  23  13.578  -4.510   0.559
  221    H4*    A  23           H4*        A  23  15.124  -3.138   2.777
  222    H3*    A  23           H3*        A  23  12.455  -4.473   2.767
  223    H2*    A  23           H2*        A  23  11.255  -2.685   3.481
  224   2HO*    A  23          2HO*        A  23  12.074  -2.180   5.399
  225    H1*    A  23           H1*        A  23  12.901  -0.564   2.702
  226    H8     A  23           H8         A  23  11.377  -3.283   0.280
  227   1H6     A  23          1H6         A  23   6.678   0.625  -0.385
  228   2H6     A  23          2H6         A  23   7.333  -0.931  -0.840
  229    H2     A  23           H2         A  23   9.691   2.555   2.317
  230   1H5*    A  24          1H5*        A  24  13.357  -1.800   6.567
  231   2H5*    A  24          2H5*        A  24  14.323  -1.990   8.043
  232    H4*    A  24           H4*        A  24  12.438  -2.488   9.111
  233    H3*    A  24           H3*        A  24  13.108  -4.912   7.605
  234    H2*    A  24           H2*        A  24  11.173  -5.121   6.443
  235   2HO*    A  24          2HO*        A  24   9.314  -5.695   7.946
  236    H1*    A  24           H1*        A  24   9.604  -3.425   8.337
  237    H8     A  24           H8         A  24  10.002  -4.610   4.650
  238   1H6     A  24          2H6         A  24   5.641  -0.624   3.193
  239   2H6     A  24          1H6         A  24   6.764  -1.824   2.598
  240    H2     A  24           H2         A  24   6.343  -0.247   7.597
  241   1H5*    C  25          1H5*        C  25  14.233  -8.328  10.562
  242   2H5*    C  25          2H5*        C  25  14.834  -8.620   8.918
  243    H4*    C  25           H4*        C  25  12.730  -9.675   8.287
  244    H3*    C  25           H3*        C  25  11.691  -8.257  10.550
  245    H2*    C  25           H2*        C  25  11.599  -9.827  12.132
  246   2HO*    C  25          2HO*        C  25  10.240 -11.678  11.684
  247    H1*    C  25           H1*        C  25  12.223 -12.235  10.640
  248   1H4     C  25          2H4         C  25  15.817 -13.040  15.811
  249   2H4     C  25          1H4         C  25  16.113 -11.321  15.946
  250    H5     C  25           H5         C  25  15.262  -9.708  14.369
  251    H6     C  25           H6         C  25  13.787  -9.373  12.448
  252   1H5*    A  26          1H5*        A  26   6.536  -8.884   8.562
  253   2H5*    A  26          2H5*        A  26   6.765  -8.200   6.940
  254    H4*    A  26           H4*        A  26   7.100  -6.586   9.492
  255    H3*    A  26           H3*        A  26   4.699  -7.280   7.865
  256    H2*    A  26           H2*        A  26   3.923  -5.122   7.719
  257   2HO*    A  26          2HO*        A  26   4.271  -4.946  10.135
  258    H1*    A  26           H1*        A  26   6.380  -3.753   7.818
  259    H8     A  26           H8         A  26   6.923  -5.911   4.930
  260   1H6     A  26          1H6         A  26   3.108  -2.652   1.546
  261   2H6     A  26          2H6         A  26   4.413  -3.816   1.576
  262    H2     A  26           H2         A  26   2.000  -1.845   5.762
  263   1H5*    A  27          2H5*        A  27   1.776  -7.295  13.136
  264   2H5*    A  27          1H5*        A  27   1.108  -7.287  11.489
  265    H4*    A  27           H4*        A  27   3.176  -5.388  12.647
  266    H3*    A  27           H3*        A  27   0.280  -5.189  11.866
  267    H2*    A  27           H2*        A  27   0.542  -3.205  10.784
  268   2HO*    A  27          2HO*        A  27   1.404  -1.990  12.404
  269    H1*    A  27           H1*        A  27   3.244  -3.425  10.037
  270    H8     A  27           H8         A  27   1.963  -6.184   8.072
  271   1H6     A  27          2H6         A  27  -1.304  -2.415   4.628
  272   2H6     A  27          1H6         A  27  -0.788  -4.079   4.845
  273    H2     A  27           H2         A  27   0.185  -0.036   8.047
  274   1H5*    C  28          1H5*        C  28  -2.896  -3.263  14.061
  275   2H5*    C  28          2H5*        C  28  -2.695  -3.736  12.370
  276    H4*    C  28           H4*        C  28  -2.950  -0.905  13.473
  277    H3*    C  28           H3*        C  28  -4.823  -2.881  12.352
  278    H2*    C  28           H2*        C  28  -5.501  -1.789  10.474
  279   2HO*    C  28          2HO*        C  28  -6.348   0.011  11.369
  280    H1*    C  28           H1*        C  28  -3.416  -0.125   9.869
  281   1H4     C  28          2H4         C  28  -2.474  -4.963   5.801
  282   2H4     C  28          1H4         C  28  -1.161  -5.452   6.884
  283    H5     C  28           H5         C  28  -0.846  -4.555   9.104
  284    H6     C  28           H6         C  28  -1.622  -2.805  10.688
  285   1H5*    G  29          1H5*        G  29  -7.585  -0.820  12.611
  286   2H5*    G  29          2H5*        G  29  -9.046  -1.562  13.268
  287    H4*    G  29           H4*        G  29  -9.126  -1.409  10.853
  288    H3*    G  29           H3*        G  29  -8.379  -4.264  11.414
  289    H2*    G  29           H2*        G  29  -9.356  -4.582   9.242
  290   2HO*    G  29          2HO*        G  29 -10.460  -2.063   9.800
  291    H1*    G  29           H1*        G  29  -7.863  -2.234   8.496
  292    H8     G  29           H8         G  29  -5.510  -3.991  10.450
  293    H1     G  29           H1         G  29  -5.631  -5.997   4.392
  294   1H2     G  29          2H2         G  29  -7.594  -5.448   3.477
  295   2H2     G  29          1H2         G  29  -8.851  -4.604   4.356
  296   1H5*    G  30          1H5*        G  30  -8.652  -6.839  14.190
  297   2H5*    G  30          2H5*        G  30  -7.960  -5.384  14.937
  298    H4*    G  30           H4*        G  30  -6.097  -6.744  14.564
  299    H3*    G  30           H3*        G  30  -6.424  -4.877  12.248
  300    H2*    G  30           H2*        G  30  -4.725  -5.979  10.970
  301   2HO*    G  30          2HO*        G  30  -3.884  -6.696  13.469
  302    H1*    G  30           H1*        G  30  -5.343  -8.484  11.514
  303    H8     G  30           H8         G  30  -8.637  -6.760  11.565
  304    H1     G  30           H1         G  30  -7.362  -9.514   5.960
  305   1H2     G  30          2H2         G  30  -5.187  -9.948   5.754
  306   2H2     G  30          1H2         G  30  -4.016  -9.568   7.004
  307    H3T    G  30           H3T        G  30  -5.245  -3.918  13.730
  Start of MODEL   16
    1   1H5*    A   3          1H5*        A   3  -5.978   5.565 -10.354
    2   2H5*    A   3          2H5*        A   3  -6.995   6.812 -11.152
    3    H4*    A   3           H4*        A   3  -5.244   7.143 -12.843
    4    H3*    A   3           H3*        A   3  -3.787   5.047 -11.218
    5    H2*    A   3           H2*        A   3  -1.744   6.207 -11.337
    6   2HO*    A   3          2HO*        A   3  -2.961   7.430 -13.558
    7    H1*    A   3           H1*        A   3  -2.807   8.758 -10.964
    8    H8     A   3           H8         A   3  -4.664   7.242  -8.370
    9   1H6     A   3          2H6         A   3   0.437   8.002  -4.926
   10   2H6     A   3          1H6         A   3  -1.320   7.757  -4.887
   11    H2     A   3           H2         A   3   1.608   8.110  -9.253
   12   1H5*    G   4          1H5*        G   4  -1.071   4.920 -14.137
   13   2H5*    G   4          2H5*        G   4  -0.762   3.251 -14.645
   14    H4*    G   4           H4*        G   4   1.253   4.405 -13.874
   15    H3*    G   4           H3*        G   4   0.237   2.198 -12.066
   16    H2*    G   4           H2*        G   4   2.123   2.474 -10.651
   17   2HO*    G   4          2HO*        G   4   3.879   3.837 -11.324
   18    H1*    G   4           H1*        G   4   2.324   5.199 -10.984
   19    H8     G   4           H8         G   4  -1.195   4.667  -9.864
   20    H1     G   4           H1         G   4   3.170   5.604  -5.252
   21   1H2     G   4          2H2         G   4   5.198   5.212  -6.111
   22   2H2     G   4          1H2         G   4   5.454   4.717  -7.769
   23   1H5*    U   5          1H5*        U   5   2.127  -1.427 -10.917
   24   2H5*    U   5          2H5*        U   5   1.168  -0.461  -9.764
   25    H4*    U   5           H4*        U   5   4.008   0.304 -10.407
   26    H3*    U   5           H3*        U   5   3.061  -1.686  -8.312
   27    H2*    U   5           H2*        U   5   4.683  -0.758  -6.772
   28   2HO*    U   5          2HO*        U   5   5.882  -0.002  -9.178
   29    H1*    U   5           H1*        U   5   4.403   1.785  -7.649
   30    H3     U   5           H3         U   5   3.146   2.328  -3.428
   31    H5     U   5           H5         U   5  -0.377   1.322  -5.640
   32    H6     U   5           H6         U   5   1.061   0.610  -7.436
   33   1H5*    G   6          1H5*        G   6   6.757  -2.292  -7.816
   34   2H5*    G   6          2H5*        G   6   7.286  -3.936  -7.412
   35    H4*    G   6           H4*        G   6   7.503  -2.299  -5.526
   36    H3*    G   6           H3*        G   6   5.394  -4.433  -5.089
   37    H2*    G   6           H2*        G   6   5.144  -3.542  -2.913
   38   2HO*    G   6          2HO*        G   6   6.740  -2.156  -2.007
   39    H1*    G   6           H1*        G   6   5.929  -0.959  -3.666
   40    H8     G   6           H8         G   6   2.927  -1.477  -5.656
   41    H1     G   6           H1         G   6   1.764   0.697   0.258
   42   1H2     G   6          2H2         G   6   3.575   0.245   1.551
   43   2H2     G   6          1H2         G   6   5.003  -0.565   0.946
   44   1H5*    G   7          1H5*        G   7   4.596  -7.432  -2.675
   45   2H5*    G   7          2H5*        G   7   4.548  -5.970  -3.697
   46    H4*    G   7           H4*        G   7   5.939  -5.296  -1.298
   47    H3*    G   7           H3*        G   7   3.515  -7.017  -0.799
   48    H2*    G   7           H2*        G   7   2.846  -5.577   0.927
   49   2HO*    G   7          2HO*        G   7   5.587  -5.011   1.019
   50    H1*    G   7           H1*        G   7   3.884  -3.270  -0.224
   51    H8     G   7           H8         G   7   1.809  -4.422  -2.920
   52    H1     G   7           H1         G   7  -1.627  -1.413   1.570
   53   1H2     G   7          2H2         G   7  -0.422  -1.396   3.519
   54   2H2     G   7          1H2         G   7   1.169  -2.110   3.664
   55   1H5*   CH   8          1H5*       CH   8   4.167  -9.730   3.575
   56   2H5*   CH   8          2H5*       CH   8   5.515  -8.585   3.477
   57    H4*   CH   8           H4*       CH   8   4.616  -7.622   5.297
   58    H3*   CH   8           H3*       CH   8   2.146  -9.173   4.564
   59    H2*   CH   8           H2*       CH   8   0.901  -7.869   6.120
   60   2HO*   CH   8          2HO*       CH   8   3.487  -7.157   7.023
   61    H1*   CH   8           H1*       CH   8   1.966  -5.574   5.483
   62    HN3   CH   8           H3        CH   8  -2.200  -5.080   3.897
   63   1H4    CH   8          1H4        CH   8  -3.003  -5.015   1.708
   64   2H4    CH   8          2H4        CH   8  -2.082  -5.617   0.374
   65    H5    CH   8           H5        CH   8   0.167  -6.532   0.651
   66    H6    CH   8           H6        CH   8   1.887  -7.139   2.288
   67   1H5*    G   9          1H5*        G   9   0.988 -10.917   3.879
   68   2H5*    G   9          2H5*        G   9   1.117 -12.583   4.493
   69    H4*    G   9           H4*        G   9   2.422 -11.442   1.967
   70    H3*    G   9           H3*        G   9  -0.242 -12.195   2.358
   71    H2*    G   9           H2*        G   9   0.231 -14.392   2.789
   72   2HO*    G   9          2HO*        G   9  -0.844 -13.994   0.502
   73    H1*    G   9           H1*        G   9   2.406 -14.278   0.692
   74    H8     G   9           H8         G   9   2.513 -15.573   4.289
   75    H1     G   9           H1         G   9   2.923 -20.222  -0.052
   76   1H2     G   9          2H2         G   9   2.585 -19.399  -2.082
   77   2H2     G   9          1H2         G   9   2.261 -17.704  -2.369
   78   1H5*    C  10          1H5*        C  10  -2.330 -11.726   1.843
   79   2H5*    C  10          2H5*        C  10  -1.974 -13.476   1.906
   80    H4*    C  10           H4*        C  10  -4.170 -13.828   0.659
   81    H3*    C  10           H3*        C  10  -4.251 -10.882   1.074
   82    H2*    C  10           H2*        C  10  -6.347 -10.815   2.141
   83   2HO*    C  10          2HO*        C  10  -7.849 -12.434   1.982
   84    H1*    C  10           H1*        C  10  -6.204 -13.081   3.556
   85   1H4     C  10          2H4         C  10  -4.432  -9.207   8.166
   86   2H4     C  10          1H4         C  10  -2.769  -9.704   7.854
   87    H5     C  10           H5         C  10  -2.095 -10.934   5.830
   88    H6     C  10           H6         C  10  -2.895 -12.143   3.929
   89   1H5*    C  11          1H5*        C  11  -7.235 -10.621  -1.634
   90   2H5*    C  11          2H5*        C  11  -7.157  -9.198  -2.670
   91    H4*    C  11           H4*        C  11  -8.638  -9.136  -0.530
   92    H3*    C  11           H3*        C  11  -6.640  -6.922  -1.122
   93    H2*    C  11           H2*        C  11  -7.358  -5.854   0.845
   94   2HO*    C  11          2HO*        C  11  -9.434  -6.334   1.760
   95    H1*    C  11           H1*        C  11  -8.296  -8.337   1.998
   96   1H4     C  11          2H4         C  11  -4.302  -7.307   6.665
   97   2H4     C  11          1H4         C  11  -3.146  -8.285   5.764
   98    H5     C  11           H5         C  11  -3.477  -8.979   3.485
   99    H6     C  11           H6         C  11  -4.951  -8.851   1.554
  100   1H5*    G  12          1H5*        G  12  -9.193  -2.384  -1.551
  101   2H5*    G  12          2H5*        G  12  -7.666  -3.289  -1.350
  102    H4*    G  12           H4*        G  12  -9.817  -3.367   0.765
  103    H3*    G  12           H3*        G  12  -7.830  -1.109   0.346
  104    H2*    G  12           H2*        G  12  -7.531  -1.003   2.672
  105   2HO*    G  12          2HO*        G  12  -9.109  -1.915   4.105
  106    H1*    G  12           H1*        G  12  -8.305  -3.698   3.087
  107    H8     G  12           H8         G  12  -5.249  -4.213   1.262
  108    H1     G  12           H1         G  12  -4.378  -3.533   7.528
  109   1H2     G  12          2H2         G  12  -6.193  -2.568   8.458
  110   2H2     G  12          1H2         G  12  -7.595  -2.096   7.490
  111   1H5*    A  13          2H5*        A  13  -8.918   1.271   3.069
  112   2H5*    A  13          1H5*        A  13 -10.392   0.639   3.827
  113    H4*    A  13           H4*        A  13  -9.737   3.559   3.266
  114    H3*    A  13           H3*        A  13  -9.065   1.909   5.444
  115    H2*    A  13           H2*        A  13 -10.978   1.776   6.610
  116   2HO*    A  13          2HO*        A  13 -10.601   4.596   6.825
  117    H1*    A  13           H1*        A  13 -12.416   4.097   5.589
  118    H8     A  13           H8         A  13 -12.281   0.243   5.085
  119   1H6     A  13          2H6         A  13 -18.188   0.318   6.837
  120   2H6     A  13          1H6         A  13 -16.856  -0.698   6.334
  121    H2     A  13           H2         A  13 -16.679   4.550   6.842
  122   1H5*    C  14          1H5*        C  14  -5.700   3.483   5.080
  123   2H5*    C  14          2H5*        C  14  -6.964   2.459   5.806
  124    H4*    C  14           H4*        C  14  -5.374   2.466   7.895
  125    H3*    C  14           H3*        C  14  -3.592   3.461   5.718
  126    H2*    C  14           H2*        C  14  -1.983   1.743   5.969
  127   2HO*    C  14          2HO*        C  14  -1.800   0.554   7.789
  128    H1*    C  14           H1*        C  14  -3.538  -0.322   6.419
  129   1H4     C  14          2H4         C  14  -3.401  -0.996   0.166
  130   2H4     C  14          1H4         C  14  -4.975  -0.264   0.123
  131    H5     C  14           H5         C  14  -6.016   0.805   1.988
  132    H6     C  14           H6         C  14  -5.744   1.374   4.328
  133   1H5*    C  15          2H5*        C  15  -0.090   3.922   8.829
  134   2H5*    C  15          1H5*        C  15   0.761   5.194   7.918
  135    H4*    C  15           H4*        C  15   1.636   2.611   8.207
  136    H3*    C  15           H3*        C  15   2.148   4.600   5.982
  137    H2*    C  15           H2*        C  15   3.405   2.948   4.830
  138   2HO*    C  15          2HO*        C  15   4.218   1.145   5.855
  139    H1*    C  15           H1*        C  15   1.826   0.830   5.565
  140   1H4     C  15          2H4         C  15  -0.382   1.514  -0.269
  141   2H4     C  15          1H4         C  15  -1.752   2.326   0.444
  142    H5     C  15           H5         C  15  -1.852   3.034   2.741
  143    H6     C  15           H6         C  15  -0.636   3.079   4.856
  144   1H5*    A  16          2H5*        A  16   6.899   6.303   6.114
  145   2H5*    A  16          1H5*        A  16   5.690   6.773   4.905
  146    H4*    A  16           H4*        A  16   8.050   4.951   4.680
  147    H3*    A  16           H3*        A  16   6.625   6.949   2.921
  148    H2*    A  16           H2*        A  16   7.355   5.870   0.964
  149   2HO*    A  16          2HO*        A  16   8.978   4.255   0.969
  150    H1*    A  16           H1*        A  16   6.912   3.382   1.720
  151    H8     A  16           H8         A  16   3.955   5.065   3.256
  152   1H6     A  16          1H6         A  16   2.044   2.641  -2.074
  153   2H6     A  16          2H6         A  16   0.871   3.290  -1.226
  154    H2     A  16           H2         A  16   5.678   2.737  -2.504
  155   1H5*    C  17          2H5*        C  17  10.259   6.812   0.861
  156   2H5*    C  17          1H5*        C  17  10.357   8.343  -0.047
  157    H4*    C  17           H4*        C  17   9.942   5.991  -1.219
  158    H3*    C  17           H3*        C  17   8.469   8.511  -2.042
  159    H2*    C  17           H2*        C  17   7.833   7.199  -3.949
  160   2HO*    C  17          2HO*        C  17   8.928   5.275  -4.444
  161    H1*    C  17           H1*        C  17   7.565   4.878  -2.396
  162   1H4     C  17          2H4         C  17   1.515   6.248  -3.541
  163   2H4     C  17          1H4         C  17   1.422   6.734  -1.847
  164    H5     C  17           H5         C  17   3.397   7.041  -0.426
  165    H6     C  17           H6         C  17   5.824   6.787  -0.327
  166   1H5*    U  18          2H5*        U  18  10.970   9.411  -7.108
  167   2H5*    U  18          1H5*        U  18   9.780  10.333  -6.169
  168    H4*    U  18           H4*        U  18   9.273   7.755  -7.736
  169    H3*    U  18           H3*        U  18   8.838  10.487  -8.431
  170    H2*    U  18           H2*        U  18   6.487  10.427  -7.713
  171   2HO*    U  18          2HO*        U  18   5.369   8.630  -9.033
  172    H1*    U  18           H1*        U  18   6.598   7.574  -7.850
  173    H3     U  18           H3         U  18   2.251   8.229  -6.598
  174    H5     U  18           H5         U  18   4.638   8.732  -3.176
  175    H6     U  18           H6         U  18   6.557   8.923  -4.665
  176   1H5*    U  19          1H5*        U  19  10.697   6.535 -10.072
  177   2H5*    U  19          2H5*        U  19  11.856   6.952 -11.349
  178    H4*    U  19           H4*        U  19  10.927   4.625 -11.725
  179    H3*    U  19           H3*        U  19  10.951   6.675 -13.714
  180    H2*    U  19           H2*        U  19   8.661   6.970 -13.863
  181   2HO*    U  19          2HO*        U  19   9.615   5.067 -15.539
  182    H1*    U  19           H1*        U  19   8.226   4.072 -13.293
  183    H3     U  19           H3         U  19   3.792   4.486 -13.564
  184    H5     U  19           H5         U  19   4.889   7.968 -11.459
  185    H6     U  19           H6         U  19   7.194   7.327 -11.722
  186   1H5*    A  20          1H5*        A  20  14.352   2.213 -13.757
  187   2H5*    A  20          2H5*        A  20  13.464   0.821 -14.404
  188    H4*    A  20           H4*        A  20  14.297   0.986 -11.847
  189    H3*    A  20           H3*        A  20  12.059  -0.396 -13.221
  190    H2*    A  20           H2*        A  20  10.651  -0.617 -11.505
  191   2HO*    A  20          2HO*        A  20  11.417  -0.959  -9.363
  192    H1*    A  20           H1*        A  20  11.682   1.303  -9.670
  193    H8     A  20           H8         A  20   9.572   0.733 -12.867
  194   1H6     A  20          2H6         A  20   5.414   4.479 -10.397
  195   2H6     A  20          1H6         A  20   5.778   3.402 -11.725
  196    H2     A  20           H2         A  20   8.986   4.588  -7.745
  197   1H5*    A  21          1H5*        A  21  14.720  -2.840  -8.597
  198   2H5*    A  21          2H5*        A  21  13.151  -2.884  -9.429
  199    H4*    A  21           H4*        A  21  13.854  -1.285  -6.904
  200    H3*    A  21           H3*        A  21  11.893  -3.491  -7.514
  201    H2*    A  21           H2*        A  21  10.379  -2.411  -6.212
  202   2HO*    A  21          2HO*        A  21  10.865  -2.271  -4.169
  203    H1*    A  21           H1*        A  21  12.201  -0.009  -6.033
  204    H8     A  21           H8         A  21   9.028  -1.158  -8.002
  205   1H6     A  21          1H6         A  21   6.434   4.027  -5.749
  206   2H6     A  21          2H6         A  21   6.109   2.607  -6.749
  207    H2     A  21           H2         A  21  10.434   3.710  -4.095
  208   1H5*    A  22          1H5*        A  22  14.913  -2.531  -4.569
  209   2H5*    A  22          2H5*        A  22  15.286  -3.465  -3.108
  210    H4*    A  22           H4*        A  22  15.829  -1.061  -2.857
  211    H3*    A  22           H3*        A  22  13.768  -2.399  -1.159
  212    H2*    A  22           H2*        A  22  12.949  -0.498  -0.304
  213   2HO*    A  22          2HO*        A  22  14.918  -0.094   0.786
  214    H1*    A  22           H1*        A  22  14.167   1.373  -2.186
  215    H8     A  22           H8         A  22  11.279  -0.804  -3.258
  216   1H6     A  22          2H6         A  22   7.443   3.516  -1.262
  217   2H6     A  22          1H6         A  22   7.598   2.009  -2.128
  218    H2     A  22           H2         A  22  11.613   4.689   0.017
  219   1H5*    A  23          1H5*        A  23  16.114  -4.258   3.019
  220   2H5*    A  23          2H5*        A  23  14.801  -4.200   1.825
  221    H4*    A  23           H4*        A  23  16.050  -1.747   3.113
  222    H3*    A  23           H3*        A  23  14.005  -3.618   4.088
  223    H2*    A  23           H2*        A  23  12.181  -2.325   3.829
  224   2HO*    A  23          2HO*        A  23  13.856  -0.582   5.222
  225    H1*    A  23           H1*        A  23  13.355   0.029   2.647
  226    H8     A  23           H8         A  23  12.206  -3.229   0.709
  227   1H6     A  23          1H6         A  23   6.990  -0.188  -0.376
  228   2H6     A  23          2H6         A  23   7.870  -1.675  -0.631
  229    H2     A  23           H2         A  23   9.686   2.536   1.937
  230   1H5*    A  24          1H5*        A  24  12.584  -3.292   5.764
  231   2H5*    A  24          2H5*        A  24  12.834  -1.627   6.317
  232    H4*    A  24           H4*        A  24  11.556  -2.206   8.407
  233    H3*    A  24           H3*        A  24  11.826  -4.887   7.315
  234    H2*    A  24           H2*        A  24  10.063  -4.757   5.839
  235   2HO*    A  24          2HO*        A  24   9.361  -6.017   7.821
  236    H1*    A  24           H1*        A  24   8.632  -2.841   7.634
  237    H8     A  24           H8         A  24   9.075  -3.984   3.945
  238   1H6     A  24          2H6         A  24   4.504  -0.008   2.728
  239   2H6     A  24          1H6         A  24   5.622  -1.163   2.013
  240    H2     A  24           H2         A  24   5.431   0.241   7.075
  241   1H5*    C  25          2H5*        C  25  11.441  -8.824   8.593
  242   2H5*    C  25          1H5*        C  25  12.273  -7.450   7.839
  243    H4*    C  25           H4*        C  25  10.325  -7.308   6.211
  244    H3*    C  25           H3*        C  25   9.440  -9.558   7.893
  245    H2*    C  25           H2*        C  25   9.466 -11.198   6.369
  246   2HO*    C  25          2HO*        C  25   8.498  -9.192   4.602
  247    H1*    C  25           H1*        C  25  10.823  -9.927   4.181
  248   1H4     C  25          2H4         C  25  14.843 -14.574   6.565
  249   2H4     C  25          1H4         C  25  13.579 -15.553   5.853
  250    H5     C  25           H5         C  25  11.511 -14.639   5.024
  251    H6     C  25           H6         C  25  10.235 -12.587   4.635
  252   1H5*    A  26          2H5*        A  26   7.314  -8.506   8.958
  253   2H5*    A  26          1H5*        A  26   5.687  -8.915   9.538
  254    H4*    A  26           H4*        A  26   6.546  -6.647  10.269
  255    H3*    A  26           H3*        A  26   4.027  -7.078   8.715
  256    H2*    A  26           H2*        A  26   3.590  -4.837   8.489
  257   2HO*    A  26          2HO*        A  26   3.814  -4.548  10.848
  258    H1*    A  26           H1*        A  26   6.278  -3.890   8.655
  259    H8     A  26           H8         A  26   6.768  -5.577   5.691
  260   1H6     A  26          2H6         A  26   3.027  -1.816   2.606
  261   2H6     A  26          1H6         A  26   4.376  -2.921   2.487
  262    H2     A  26           H2         A  26   1.827  -1.679   6.910
  263   1H5*    A  27          1H5*        A  27   1.047  -6.841  13.979
  264   2H5*    A  27          2H5*        A  27   0.603  -6.500  12.292
  265    H4*    A  27           H4*        A  27   2.736  -5.103  13.942
  266    H3*    A  27           H3*        A  27  -0.045  -4.456  13.067
  267    H2*    A  27           H2*        A  27   0.441  -2.413  12.169
  268   2HO*    A  27          2HO*        A  27   2.931  -2.310  13.531
  269    H1*    A  27           H1*        A  27   3.050  -2.787  11.336
  270    H8     A  27           H8         A  27   1.633  -5.563   9.535
  271   1H6     A  27          2H6         A  27  -1.561  -1.774   5.954
  272   2H6     A  27          1H6         A  27  -1.045  -3.441   6.180
  273    H2     A  27           H2         A  27   0.099   0.628   9.256
  274   1H5*    C  28          1H5*        C  28  -3.297  -3.403  15.680
  275   2H5*    C  28          2H5*        C  28  -2.946  -3.701  13.966
  276    H4*    C  28           H4*        C  28  -3.651  -1.033  15.255
  277    H3*    C  28           H3*        C  28  -5.137  -3.113  13.801
  278    H2*    C  28           H2*        C  28  -5.763  -1.954  11.933
  279   2HO*    C  28          2HO*        C  28  -6.839  -0.292  12.940
  280    H1*    C  28           H1*        C  28  -3.735  -0.158  11.575
  281   1H4     C  28          2H4         C  28  -2.420  -4.851   7.578
  282   2H4     C  28          1H4         C  28  -1.036  -5.231   8.626
  283    H5     C  28           H5         C  28  -0.788  -4.294  10.926
  284    H6     C  28           H6         C  28  -1.732  -2.576  12.482
  285   1H5*    G  29          1H5*        G  29  -8.113  -0.812  14.353
  286   2H5*    G  29          2H5*        G  29  -9.678  -1.267  15.039
  287    H4*    G  29           H4*        G  29  -9.788  -0.880  12.612
  288    H3*    G  29           H3*        G  29  -9.975  -3.827  13.314
  289    H2*    G  29           H2*        G  29 -10.415  -4.237  11.018
  290   2HO*    G  29          2HO*        G  29 -11.440  -1.694  11.156
  291    H1*    G  29           H1*        G  29  -8.713  -2.122  10.167
  292    H8     G  29           H8         G  29  -6.562  -3.961  12.352
  293    H1     G  29           H1         G  29  -6.492  -6.205   6.381
  294   1H2     G  29          2H2         G  29  -8.354  -5.580   5.325
  295   2H2     G  29          1H2         G  29  -9.604  -4.615   6.084
  296   1H5*    G  30          1H5*        G  30 -13.548  -3.606  11.735
  297   2H5*    G  30          2H5*        G  30 -14.675  -4.864  12.275
  298    H4*    G  30           H4*        G  30 -13.633  -5.066   9.943
  299    H3*    G  30           H3*        G  30 -13.245  -7.331  11.921
  300    H2*    G  30           H2*        G  30 -12.225  -8.540  10.172
  301   2HO*    G  30          2HO*        G  30 -12.532  -7.884   7.966
  302    H1*    G  30           H1*        G  30 -11.430  -6.180   8.812
  303    H8     G  30           H8         G  30  -9.471  -6.034  11.874
  304    H1     G  30           H1         G  30  -6.699  -9.409   7.193
  305   1H2     G  30          2H2         G  30  -8.252 -10.040   5.725
  306   2H2     G  30          1H2         G  30  -9.947  -9.633   5.895
  307    H3T    G  30           H3T        G  30 -15.407  -6.626  11.160
  Start of MODEL   17
    1   1H5*    A   3          2H5*        A   3  -7.813   5.422  -8.861
    2   2H5*    A   3          1H5*        A   3  -7.305   4.011  -9.845
    3    H4*    A   3           H4*        A   3  -6.396   6.072 -10.744
    4    H3*    A   3           H3*        A   3  -4.452   4.129  -9.493
    5    H2*    A   3           H2*        A   3  -2.611   5.562  -9.755
    6   2HO*    A   3          2HO*        A   3  -2.514   7.147 -11.250
    7    H1*    A   3           H1*        A   3  -3.940   7.963  -9.186
    8    H8     A   3           H8         A   3  -5.211   6.170  -6.425
    9   1H6     A   3          2H6         A   3   0.066   7.638  -3.559
   10   2H6     A   3          1H6         A   3  -1.619   7.133  -3.346
   11    H2     A   3           H2         A   3   0.724   7.986  -7.987
   12   1H5*    G   4          1H5*        G   4  -2.735   3.460 -13.203
   13   2H5*    G   4          2H5*        G   4  -2.595   1.726 -13.531
   14    H4*    G   4           H4*        G   4  -0.432   2.869 -13.210
   15    H3*    G   4           H3*        G   4  -1.220   0.846 -11.094
   16    H2*    G   4           H2*        G   4   0.848   1.213  -9.982
   17   2HO*    G   4          2HO*        G   4   2.496   2.480 -11.003
   18    H1*    G   4           H1*        G   4   1.031   3.884 -10.536
   19    H8     G   4           H8         G   4  -2.382   3.477  -9.083
   20    H1     G   4           H1         G   4   2.337   4.848  -4.965
   21   1H2     G   4          2H2         G   4   4.295   4.363  -5.939
   22   2H2     G   4          1H2         G   4   4.417   3.720  -7.562
   23   1H5*    U   5          1H5*        U   5   2.638   0.691 -11.736
   24   2H5*    U   5          2H5*        U   5   3.423  -0.875 -11.746
   25    H4*    U   5           H4*        U   5   4.369   0.672 -10.063
   26    H3*    U   5           H3*        U   5   2.937  -1.686  -8.798
   27    H2*    U   5           H2*        U   5   3.947  -0.944  -6.778
   28   2HO*    U   5          2HO*        U   5   5.882  -0.071  -8.519
   29    H1*    U   5           H1*        U   5   3.973   1.733  -7.669
   30    H3     U   5           H3         U   5   2.300   2.153  -3.504
   31    H5     U   5           H5         U   5  -0.949   1.724  -6.136
   32    H6     U   5           H6         U   5   0.598   0.923  -7.813
   33   1H5*    G   6          1H5*        G   6   6.906  -2.755  -8.227
   34   2H5*    G   6          2H5*        G   6   7.278  -4.439  -7.842
   35    H4*    G   6           H4*        G   6   7.466  -2.647  -6.009
   36    H3*    G   6           H3*        G   6   5.617  -5.005  -5.482
   37    H2*    G   6           H2*        G   6   5.406  -4.141  -3.282
   38   2HO*    G   6          2HO*        G   6   6.857  -2.508  -2.529
   39    H1*    G   6           H1*        G   6   5.790  -1.509  -4.123
   40    H8     G   6           H8         G   6   2.753  -2.570  -5.895
   41    H1     G   6           H1         G   6   1.748  -0.315   0.007
   42   1H2     G   6          2H2         G   6   3.706  -0.446   1.169
   43   2H2     G   6          1H2         G   6   5.185  -1.068   0.467
   44   1H5*    G   7          1H5*        G   7   4.959  -7.975  -3.105
   45   2H5*    G   7          2H5*        G   7   4.813  -6.470  -4.048
   46    H4*    G   7           H4*        G   7   6.176  -5.827  -1.635
   47    H3*    G   7           H3*        G   7   3.896  -7.762  -1.189
   48    H2*    G   7           H2*        G   7   3.036  -6.450   0.519
   49   2HO*    G   7          2HO*        G   7   4.324  -5.010   1.706
   50    H1*    G   7           H1*        G   7   4.133  -4.014  -0.400
   51    H8     G   7           H8         G   7   2.017  -4.832  -3.146
   52    H1     G   7           H1         G   7  -1.414  -2.081   1.528
   53   1H2     G   7          2H2         G   7  -0.273  -2.262   3.496
   54   2H2     G   7          1H2         G   7   1.290  -3.038   3.633
   55   1H5*   CH   8          1H5*       CH   8   1.982  -9.597   1.381
   56   2H5*   CH   8          2H5*       CH   8   3.446 -10.360   2.021
   57    H4*   CH   8           H4*       CH   8   3.440  -8.927   3.962
   58    H3*   CH   8           H3*       CH   8   0.800 -10.207   3.278
   59    H2*   CH   8           H2*       CH   8  -0.131  -9.291   5.296
   60   2HO*   CH   8          2HO*       CH   8   2.564  -9.051   5.929
   61    H1*   CH   8           H1*       CH   8   0.887  -6.876   5.001
   62    HN3   CH   8           H3        CH   8  -3.078  -5.416   3.728
   63   1H4    CH   8          1H4        CH   8  -3.379  -5.763   0.190
   64   2H4    CH   8          2H4        CH   8  -4.035  -5.059   1.626
   65    H5    CH   8           H5        CH   8  -1.370  -7.097   0.212
   66    H6    CH   8           H6        CH   8   0.315  -8.182   1.640
   67   1H5*    G   9          1H5*        G   9   0.923 -13.835   2.070
   68   2H5*    G   9          2H5*        G   9   1.916 -12.368   1.875
   69    H4*    G   9           H4*        G   9   0.051 -11.271   0.753
   70    H3*    G   9           H3*        G   9  -1.567 -12.982   2.282
   71    H2*    G   9           H2*        G   9  -1.564 -14.809   0.919
   72   2HO*    G   9          2HO*        G   9  -3.689 -14.060   0.659
   73    H1*    G   9           H1*        G   9  -1.243 -13.250  -1.606
   74    H8     G   9           H8         G   9  -1.895 -15.673  -2.647
   75    H1     G   9           H1         G   9   3.418 -18.189  -0.177
   76   1H2     G   9          2H2         G   9   4.324 -16.774   1.273
   77   2H2     G   9          1H2         G   9   3.619 -15.213   1.628
   78   1H5*    C  10          1H5*        C  10  -3.608 -12.879  -0.970
   79   2H5*    C  10          2H5*        C  10  -3.977 -12.289  -2.588
   80    H4*    C  10           H4*        C  10  -6.080 -12.925  -1.862
   81    H3*    C  10           H3*        C  10  -5.624 -10.047  -1.148
   82    H2*    C  10           H2*        C  10  -7.630  -9.917   0.118
   83   2HO*    C  10          2HO*        C  10  -8.320 -12.072  -1.503
   84    H1*    C  10           H1*        C  10  -7.513 -12.364   1.237
   85   1H4     C  10          2H4         C  10  -4.951  -9.834   6.279
   86   2H4     C  10          1H4         C  10  -3.350 -10.030   5.564
   87    H5     C  10           H5         C  10  -3.002 -10.614   3.194
   88    H6     C  10           H6         C  10  -4.097 -11.301   1.145
   89   1H5*    C  11          2H5*        C  11  -9.017  -8.451  -3.224
   90   2H5*    C  11          1H5*        C  11  -8.472  -6.755  -3.261
   91    H4*    C  11           H4*        C  11 -10.002  -7.915  -1.277
   92    H3*    C  11           H3*        C  11  -8.148  -5.522  -1.168
   93    H2*    C  11           H2*        C  11  -8.536  -5.342   1.121
   94   2HO*    C  11          2HO*        C  11 -10.402  -6.033   2.096
   95    H1*    C  11           H1*        C  11  -9.151  -8.095   1.461
   96   1H4     C  11          2H4         C  11  -4.148  -7.440   5.251
   97   2H4     C  11          1H4         C  11  -3.231  -8.259   3.988
   98    H5     C  11           H5         C  11  -4.074  -8.652   1.788
   99    H6     C  11           H6         C  11  -6.010  -8.433   0.300
  100   1H5*    G  12          1H5*        G  12  -9.695  -0.935  -0.937
  101   2H5*    G  12          2H5*        G  12  -8.465  -2.236  -0.935
  102    H4*    G  12           H4*        G  12 -10.340  -1.941   1.396
  103    H3*    G  12           H3*        G  12  -7.924  -0.155   0.917
  104    H2*    G  12           H2*        G  12  -7.483  -0.286   3.224
  105   2HO*    G  12          2HO*        G  12 -10.212  -0.350   3.343
  106    H1*    G  12           H1*        G  12  -8.794  -2.802   3.489
  107    H8     G  12           H8         G  12  -6.005  -3.823   1.429
  108    H1     G  12           H1         G  12  -4.538  -3.673   7.611
  109   1H2     G  12          2H2         G  12  -6.024  -2.437   8.725
  110   2H2     G  12          1H2         G  12  -7.363  -1.617   7.932
  111   1H5*    A  13          2H5*        A  13  -8.236   3.651   4.571
  112   2H5*    A  13          1H5*        A  13  -8.793   4.495   3.112
  113    H4*    A  13           H4*        A  13  -6.405   2.630   3.078
  114    H3*    A  13           H3*        A  13  -6.525   5.552   3.834
  115    H2*    A  13           H2*        A  13  -4.713   6.037   2.547
  116   2HO*    A  13          2HO*        A  13  -3.916   3.459   3.323
  117    H1*    A  13           H1*        A  13  -4.934   3.734   0.769
  118    H8     A  13           H8         A  13  -7.677   6.294   0.520
  119   1H6     A  13          1H6         A  13  -4.139   9.259  -3.561
  120   2H6     A  13          2H6         A  13  -5.733   9.169  -2.844
  121    H2     A  13           H2         A  13  -1.658   6.045  -1.639
  122   1H5*    C  14          1H5*        C  14  -5.733   2.439   5.613
  123   2H5*    C  14          2H5*        C  14  -6.884   1.940   6.882
  124    H4*    C  14           H4*        C  14  -5.090   1.198   8.296
  125    H3*    C  14           H3*        C  14  -3.270   2.633   6.405
  126    H2*    C  14           H2*        C  14  -1.840   0.705   6.071
  127   2HO*    C  14          2HO*        C  14  -1.565  -0.710   7.650
  128    H1*    C  14           H1*        C  14  -3.454  -1.297   6.370
  129   1H4     C  14          2H4         C  14  -3.129  -1.487   0.114
  130   2H4     C  14          1H4         C  14  -4.676  -0.699   0.083
  131    H5     C  14           H5         C  14  -5.743   0.256   1.988
  132    H6     C  14           H6         C  14  -5.550   0.628   4.378
  133   1H5*    C  15          2H5*        C  15  -0.997   2.644   6.672
  134   2H5*    C  15          1H5*        C  15  -0.911   1.620   8.087
  135    H4*    C  15           H4*        C  15   1.469   1.577   8.053
  136    H3*    C  15           H3*        C  15   1.296   3.697   5.910
  137    H2*    C  15           H2*        C  15   3.172   2.680   4.766
  138   2HO*    C  15          2HO*        C  15   4.353   0.938   5.788
  139    H1*    C  15           H1*        C  15   2.438   0.118   5.209
  140   1H4     C  15          2H4         C  15  -0.526   0.161  -0.372
  141   2H4     C  15          1H4         C  15  -1.941   0.798   0.428
  142    H5     C  15           H5         C  15  -1.942   1.621   2.682
  143    H6     C  15           H6         C  15  -0.609   1.857   4.657
  144   1H5*    A  16          2H5*        A  16   6.590   4.895   6.304
  145   2H5*    A  16          1H5*        A  16   5.523   5.673   5.129
  146    H4*    A  16           H4*        A  16   7.454   3.405   4.806
  147    H3*    A  16           H3*        A  16   6.568   5.796   3.196
  148    H2*    A  16           H2*        A  16   7.033   4.753   1.163
  149   2HO*    A  16          2HO*        A  16   8.352   2.888   1.032
  150    H1*    A  16           H1*        A  16   6.213   2.302   1.712
  151    H8     A  16           H8         A  16   3.487   4.317   3.291
  152   1H6     A  16          2H6         A  16   0.514   2.934  -1.971
  153   2H6     A  16          1H6         A  16   0.341   3.535  -0.310
  154    H2     A  16           H2         A  16   4.935   2.169  -2.542
  155   1H5*    C  17          1H5*        C  17   8.726   7.995   0.354
  156   2H5*    C  17          2H5*        C  17   7.383   6.947   0.911
  157    H4*    C  17           H4*        C  17   9.277   5.552  -0.839
  158    H3*    C  17           H3*        C  17   7.733   7.942  -1.882
  159    H2*    C  17           H2*        C  17   7.301   6.716  -3.883
  160   2HO*    C  17          2HO*        C  17   8.400   4.722  -4.315
  161    H1*    C  17           H1*        C  17   6.874   4.314  -2.559
  162   1H4     C  17          2H4         C  17   0.832   5.614  -3.200
  163   2H4     C  17          1H4         C  17   0.859   6.251  -1.556
  164    H5     C  17           H5         C  17   2.880   6.613  -0.306
  165    H6     C  17           H6         C  17   5.381   6.451  -0.388
  166   1H5*    U  18          1H5*        U  18  10.256   9.600  -6.443
  167   2H5*    U  18          2H5*        U  18   9.216  10.423  -5.266
  168    H4*    U  18           H4*        U  18   8.416   8.131  -7.101
  169    H3*    U  18           H3*        U  18   8.163  10.957  -7.516
  170    H2*    U  18           H2*        U  18   5.816  10.997  -6.805
  171   2HO*    U  18          2HO*        U  18   4.707   9.170  -8.228
  172    H1*    U  18           H1*        U  18   5.773   8.138  -7.103
  173    H3     U  18           H3         U  18   1.638   8.169  -5.397
  174    H5     U  18           H5         U  18   4.267   8.937  -2.201
  175    H6     U  18           H6         U  18   5.988   9.442  -3.850
  176   1H5*    U  19          2H5*        U  19   9.762   6.630  -9.338
  177   2H5*    U  19          1H5*        U  19  10.949   7.142 -10.561
  178    H4*    U  19           H4*        U  19   9.940   4.894 -11.172
  179    H3*    U  19           H3*        U  19  10.080   7.128 -12.954
  180    H2*    U  19           H2*        U  19   7.811   7.542 -13.095
  181   2HO*    U  19          2HO*        U  19   6.945   6.286 -14.833
  182    H1*    U  19           H1*        U  19   7.217   4.627 -12.808
  183    H3     U  19           H3         U  19   2.808   5.297 -12.991
  184    H5     U  19           H5         U  19   4.115   8.590 -10.716
  185    H6     U  19           H6         U  19   6.385   7.830 -11.030
  186   1H5*    A  20          1H5*        A  20  13.842   4.505 -12.152
  187   2H5*    A  20          2H5*        A  20  13.755   2.934 -12.974
  188    H4*    A  20           H4*        A  20  14.396   2.815 -10.529
  189    H3*    A  20           H3*        A  20  12.111   1.379 -11.790
  190    H2*    A  20           H2*        A  20  11.140   0.691  -9.841
  191   2HO*    A  20          2HO*        A  20  13.199  -0.255  -9.157
  192    H1*    A  20           H1*        A  20  12.002   2.694  -8.089
  193    H8     A  20           H8         A  20   9.686   1.832 -11.039
  194   1H6     A  20          2H6         A  20   5.424   5.293  -8.334
  195   2H6     A  20          1H6         A  20   5.767   4.199  -9.654
  196    H2     A  20           H2         A  20   9.198   5.777  -6.001
  197   1H5*    A  21          1H5*        A  21  13.599  -3.699  -9.230
  198   2H5*    A  21          2H5*        A  21  12.247  -3.084 -10.204
  199    H4*    A  21           H4*        A  21  13.074  -1.975  -7.464
  200    H3*    A  21           H3*        A  21  10.844  -3.831  -8.282
  201    H2*    A  21           H2*        A  21   9.449  -2.629  -6.966
  202   2HO*    A  21          2HO*        A  21   9.953  -3.005  -4.953
  203    H1*    A  21           H1*        A  21  11.587  -0.523  -6.562
  204    H8     A  21           H8         A  21   8.598  -0.893  -8.992
  205   1H6     A  21          2H6         A  21   6.002   3.850  -5.995
  206   2H6     A  21          1H6         A  21   5.807   2.721  -7.327
  207    H2     A  21           H2         A  21   9.812   2.896  -3.961
  208   1H5*    A  22          1H5*        A  22  13.801  -3.706  -5.122
  209   2H5*    A  22          2H5*        A  22  13.922  -4.707  -3.661
  210    H4*    A  22           H4*        A  22  14.736  -2.316  -3.425
  211    H3*    A  22           H3*        A  22  12.726  -3.672  -1.698
  212    H2*    A  22           H2*        A  22  11.881  -1.812  -0.787
  213   2HO*    A  22          2HO*        A  22  14.491  -0.657  -0.893
  214    H1*    A  22           H1*        A  22  13.214   0.144  -2.523
  215    H8     A  22           H8         A  22  10.181  -1.606  -3.884
  216   1H6     A  22          2H6         A  22   6.765   2.814  -1.304
  217   2H6     A  22          1H6         A  22   6.746   1.438  -2.382
  218    H2     A  22           H2         A  22  11.000   3.297   0.129
  219   1H5*    A  23          1H5*        A  23  15.355  -5.734   2.216
  220   2H5*    A  23          2H5*        A  23  13.993  -5.678   1.080
  221    H4*    A  23           H4*        A  23  15.173  -3.243   2.463
  222    H3*    A  23           H3*        A  23  13.202  -5.255   3.347
  223    H2*    A  23           H2*        A  23  11.366  -4.005   3.301
  224   2HO*    A  23          2HO*        A  23  11.243  -2.191   4.482
  225    H1*    A  23           H1*        A  23  12.489  -1.532   2.239
  226    H8     A  23           H8         A  23  11.220  -4.611   0.115
  227   1H6     A  23          2H6         A  23   6.039  -1.410  -0.589
  228   2H6     A  23          1H6         A  23   6.880  -2.897  -0.955
  229    H2     A  23           H2         A  23   8.867   1.108   1.824
  230   1H5*    A  24          2H5*        A  24  12.712  -1.277   5.300
  231   2H5*    A  24          1H5*        A  24  13.428  -0.216   6.530
  232    H4*    A  24           H4*        A  24  12.275  -1.206   8.249
  233    H3*    A  24           H3*        A  24  13.014  -3.662   6.870
  234    H2*    A  24           H2*        A  24  10.996  -4.090   5.894
  235   2HO*    A  24          2HO*        A  24  10.875  -4.858   8.545
  236    H1*    A  24           H1*        A  24   9.483  -2.548   7.971
  237    H8     A  24           H8         A  24   9.177  -4.281   4.653
  238   1H6     A  24          1H6         A  24   4.580  -0.583   3.172
  239   2H6     A  24          2H6         A  24   5.460  -2.042   2.781
  240    H2     A  24           H2         A  24   6.704   1.293   6.616
  241   1H5*    C  25          2H5*        C  25  13.859  -7.094  10.787
  242   2H5*    C  25          1H5*        C  25  12.554  -6.783   9.623
  243    H4*    C  25           H4*        C  25  11.742  -7.985  11.652
  244    H3*    C  25           H3*        C  25  10.558  -5.854  10.386
  245    H2*    C  25           H2*        C  25  10.837  -4.077  11.727
  246   2HO*    C  25          2HO*        C  25   8.704  -4.997  12.432
  247    H1*    C  25           H1*        C  25  11.448  -5.207  14.284
  248   1H4     C  25          1H4         C  25  16.693  -1.606  12.587
  249   2H4     C  25          2H4         C  25  15.478  -0.352  12.694
  250    H5     C  25           H5         C  25  13.141  -0.807  13.021
  251    H6     C  25           H6         C  25  11.448  -2.533  13.258
  252   1H5*    A  26          1H5*        A  26   7.276  -7.607   8.222
  253   2H5*    A  26          2H5*        A  26   8.960  -7.187   8.594
  254    H4*    A  26           H4*        A  26   8.177  -5.430  10.150
  255    H3*    A  26           H3*        A  26   5.609  -6.762   9.709
  256    H2*    A  26           H2*        A  26   4.521  -5.161   8.570
  257   2HO*    A  26          2HO*        A  26   5.542  -3.568  10.666
  258    H1*    A  26           H1*        A  26   6.599  -3.123   8.326
  259    H8     A  26           H8         A  26   7.097  -5.629   5.638
  260   1H6     A  26          2H6         A  26   2.865  -2.773   2.334
  261   2H6     A  26          1H6         A  26   4.273  -3.803   2.305
  262    H2     A  26           H2         A  26   2.099  -1.739   6.553
  263   1H5*    A  27          1H5*        A  27   3.369  -7.726  13.638
  264   2H5*    A  27          2H5*        A  27   2.686  -7.547  12.006
  265    H4*    A  27           H4*        A  27   4.024  -5.420  13.706
  266    H3*    A  27           H3*        A  27   1.241  -5.993  12.755
  267    H2*    A  27           H2*        A  27   0.847  -3.905  11.997
  268   2HO*    A  27          2HO*        A  27   1.257  -2.836  13.924
  269    H1*    A  27           H1*        A  27   3.398  -3.046  11.353
  270    H8     A  27           H8         A  27   2.718  -6.190   9.304
  271   1H6     A  27          2H6         A  27  -0.851  -2.808   5.699
  272   2H6     A  27          1H6         A  27  -0.148  -4.406   5.934
  273    H2     A  27           H2         A  27   0.294  -0.255   9.075
  274   1H5*    C  28          1H5*        C  28  -2.457  -4.786  15.105
  275   2H5*    C  28          2H5*        C  28  -2.221  -4.615  13.359
  276    H4*    C  28           H4*        C  28  -2.708  -2.350  15.346
  277    H3*    C  28           H3*        C  28  -4.449  -4.024  13.669
  278    H2*    C  28           H2*        C  28  -5.277  -2.474  12.205
  279   2HO*    C  28          2HO*        C  28  -5.254  -0.187  12.765
  280    H1*    C  28           H1*        C  28  -3.214  -0.715  11.900
  281   1H4     C  28          2H4         C  28  -2.518  -5.053   7.293
  282   2H4     C  28          1H4         C  28  -0.984  -5.430   8.090
  283    H5     C  28           H5         C  28  -0.397  -4.634  10.334
  284    H6     C  28           H6         C  28  -1.179  -3.070  12.185
  285   1H5*    G  29          1H5*        G  29  -6.916  -1.980  14.494
  286   2H5*    G  29          2H5*        G  29  -8.589  -2.226  15.030
  287    H4*    G  29           H4*        G  29  -8.520  -1.886  12.638
  288    H3*    G  29           H3*        G  29  -8.879  -4.825  13.295
  289    H2*    G  29           H2*        G  29  -9.100  -5.230  11.012
  290   2HO*    G  29          2HO*        G  29 -10.398  -2.839  11.099
  291    H1*    G  29           H1*        G  29  -7.590  -2.858  10.310
  292    H8     G  29           H8         G  29  -5.012  -4.823  11.696
  293    H1     G  29           H1         G  29  -6.340  -6.412   5.641
  294   1H2     G  29          2H2         G  29  -8.419  -5.743   5.150
  295   2H2     G  29          1H2         G  29  -9.451  -4.924   6.303
  296   1H5*    G  30          1H5*        G  30 -12.365  -7.143  13.822
  297   2H5*    G  30          2H5*        G  30 -10.878  -7.932  13.234
  298    H4*    G  30           H4*        G  30 -13.376  -7.084  11.734
  299    H3*    G  30           H3*        G  30 -11.955  -9.654  12.326
  300    H2*    G  30           H2*        G  30 -12.398 -10.527  10.152
  301   2HO*    G  30          2HO*        G  30 -14.482  -8.770  10.327
  302    H1*    G  30           H1*        G  30 -11.976  -8.275   8.752
  303    H8     G  30           H8         G  30  -9.397  -8.388  11.540
  304    H1     G  30           H1         G  30  -7.333 -10.019   5.696
  305   1H2     G  30          2H2         G  30  -9.109 -10.402   4.394
  306   2H2     G  30          1H2         G  30 -10.757 -10.260   4.962
  307    H3T    G  30           H3T        G  30 -14.676  -9.004  11.737
  Start of MODEL   18
    1   1H5*    A   3          2H5*        A   3  -7.644   7.493 -10.125
    2   2H5*    A   3          1H5*        A   3  -7.155   5.986 -10.961
    3    H4*    A   3           H4*        A   3  -5.859   7.875 -11.775
    4    H3*    A   3           H3*        A   3  -4.369   5.913 -10.028
    5    H2*    A   3           H2*        A   3  -2.344   7.086 -10.304
    6   2HO*    A   3          2HO*        A   3  -3.733   8.294 -12.452
    7    H1*    A   3           H1*        A   3  -3.458   9.563  -9.895
    8    H8     A   3           H8         A   3  -5.278   7.942  -7.263
    9   1H6     A   3          2H6         A   3  -0.054   8.858  -3.911
   10   2H6     A   3          1H6         A   3  -1.801   8.539  -3.780
   11    H2     A   3           H2         A   3   0.918   9.082  -8.259
   12   1H5*    G   4          1H5*        G   4  -4.473   2.409  -9.632
   13   2H5*    G   4          2H5*        G   4  -4.911   3.802  -8.554
   14    H4*    G   4           H4*        G   4  -2.702   4.307 -10.432
   15    H3*    G   4           H3*        G   4  -2.390   2.367  -8.125
   16    H2*    G   4           H2*        G   4  -0.286   3.203  -7.642
   17   2HO*    G   4          2HO*        G   4  -0.367   4.018 -10.285
   18    H1*    G   4           H1*        G   4  -0.940   5.773  -8.178
   19    H8     G   4           H8         G   4  -3.539   4.847  -5.786
   20    H1     G   4           H1         G   4   2.196   6.112  -3.189
   21   1H2     G   4          2H2         G   4   3.776   5.905  -4.739
   22   2H2     G   4          1H2         G   4   3.427   5.440  -6.393
   23   1H5*    U   5          1H5*        U   5   2.310   0.965 -11.735
   24   2H5*    U   5          2H5*        U   5   2.209  -0.750 -11.513
   25    H4*    U   5           H4*        U   5   4.065   0.566 -10.379
   26    H3*    U   5           H3*        U   5   2.626  -0.928  -8.266
   27    H2*    U   5           H2*        U   5   4.700  -0.656  -7.055
   28   2HO*    U   5          2HO*        U   5   5.588   0.091  -9.598
   29    H1*    U   5           H1*        U   5   4.596   1.947  -7.721
   30    H3     U   5           H3         U   5   3.163   2.468  -3.420
   31    H5     U   5           H5         U   5  -0.245   1.539  -5.645
   32    H6     U   5           H6         U   5   1.198   0.865  -7.443
   33   1H5*    G   6          1H5*        G   6   7.059  -5.061  -8.535
   34   2H5*    G   6          2H5*        G   6   5.598  -6.048  -8.383
   35    H4*    G   6           H4*        G   6   6.770  -3.942  -6.662
   36    H3*    G   6           H3*        G   6   5.202  -6.438  -5.893
   37    H2*    G   6           H2*        G   6   4.966  -5.425  -3.765
   38   2HO*    G   6          2HO*        G   6   7.485  -4.616  -4.292
   39    H1*    G   6           H1*        G   6   5.333  -2.809  -4.766
   40    H8     G   6           H8         G   6   2.098  -3.783  -6.137
   41    H1     G   6           H1         G   6   1.936  -0.926  -0.395
   42   1H2     G   6          2H2         G   6   3.995  -1.128   0.558
   43   2H2     G   6          1H2         G   6   5.330  -1.946  -0.226
   44   1H5*    G   7          1H5*        G   7   5.068  -9.025  -3.067
   45   2H5*    G   7          2H5*        G   7   4.736  -7.592  -4.076
   46    H4*    G   7           H4*        G   7   6.583  -6.851  -2.008
   47    H3*    G   7           H3*        G   7   4.337  -8.612  -1.033
   48    H2*    G   7           H2*        G   7   3.725  -7.110   0.628
   49   2HO*    G   7          2HO*        G   7   5.159  -5.574   1.466
   50    H1*    G   7           H1*        G   7   4.607  -4.787  -0.630
   51    H8     G   7           H8         G   7   2.344  -6.056  -3.114
   52    H1     G   7           H1         G   7  -0.801  -2.780   1.411
   53   1H2     G   7          2H2         G   7   0.508  -2.664   3.281
   54   2H2     G   7          1H2         G   7   2.104  -3.376   3.382
   55   1H5*   CH   8          1H5*       CH   8   2.906 -10.183   1.861
   56   2H5*   CH   8          2H5*       CH   8   4.460 -10.665   2.573
   57    H4*   CH   8           H4*       CH   8   4.305  -9.007   4.283
   58    H3*   CH   8           H3*       CH   8   1.749 -10.517   3.791
   59    H2*   CH   8           H2*       CH   8   0.744  -9.363   5.643
   60   2HO*   CH   8          2HO*       CH   8   3.417  -8.857   6.235
   61    H1*   CH   8           H1*       CH   8   1.637  -6.971   4.991
   62    HN3   CH   8           H3        CH   8  -2.403  -5.984   3.498
   63   1H4    CH   8          1H4        CH   8  -2.636  -6.849   0.055
   64   2H4    CH   8          2H4        CH   8  -3.354  -5.999   1.381
   65    H5    CH   8           H5        CH   8  -0.501  -8.017   0.275
   66    H6    CH   8           H6        CH   8   1.207  -8.783   1.865
   67   1H5*    G   9          1H5*        G   9   0.631 -12.363   3.350
   68   2H5*    G   9          2H5*        G   9  -0.687 -12.597   4.527
   69    H4*    G   9           H4*        G   9   1.236 -14.655   3.351
   70    H3*    G   9           H3*        G   9  -1.496 -13.786   2.749
   71    H2*    G   9           H2*        G   9  -2.697 -15.627   3.328
   72   2HO*    G   9          2HO*        G   9  -1.777 -17.043   1.894
   73    H1*    G   9           H1*        G   9  -1.133 -16.913   5.179
   74    H8     G   9           H8         G   9  -1.118 -13.524   6.486
   75    H1     G   9           H1         G   9  -6.989 -15.984   6.853
   76   1H2     G   9          2H2         G   9  -7.126 -17.810   5.602
   77   2H2     G   9          1H2         G   9  -5.772 -18.421   4.678
   78   1H5*    C  10          1H5*        C  10  -3.239 -13.913  -0.613
   79   2H5*    C  10          2H5*        C  10  -2.710 -13.311   0.974
   80    H4*    C  10           H4*        C  10  -5.253 -14.916   0.667
   81    H3*    C  10           H3*        C  10  -4.840 -11.968   0.187
   82    H2*    C  10           H2*        C  10  -6.786 -11.429   1.442
   83   2HO*    C  10          2HO*        C  10  -7.469 -14.020   0.723
   84    H1*    C  10           H1*        C  10  -6.524 -13.373   3.319
   85   1H4     C  10          2H4         C  10  -4.064  -9.136   7.164
   86   2H4     C  10          1H4         C  10  -2.472  -9.466   6.483
   87    H5     C  10           H5         C  10  -2.130 -10.780   4.458
   88    H6     C  10           H6         C  10  -3.217 -12.148   2.774
   89   1H5*    C  11          1H5*        C  11  -7.709  -9.609  -3.295
   90   2H5*    C  11          2H5*        C  11  -6.156  -9.678  -2.441
   91    H4*    C  11           H4*        C  11  -8.798  -9.513  -0.981
   92    H3*    C  11           H3*        C  11  -6.985  -7.232  -1.852
   93    H2*    C  11           H2*        C  11  -7.470  -6.165   0.185
   94   2HO*    C  11          2HO*        C  11  -9.916  -7.216  -0.305
   95    H1*    C  11           H1*        C  11  -8.148  -8.661   1.466
   96   1H4     C  11          2H4         C  11  -3.666  -7.449   5.596
   97   2H4     C  11          1H4         C  11  -2.574  -8.366   4.559
   98    H5     C  11           H5         C  11  -3.155  -9.097   2.324
   99    H6     C  11           H6         C  11  -4.847  -9.037   0.587
  100   1H5*    G  12          1H5*        G  12  -8.922  -2.859  -1.829
  101   2H5*    G  12          2H5*        G  12  -7.627  -4.042  -1.474
  102    H4*    G  12           H4*        G  12  -9.774  -3.534   0.564
  103    H3*    G  12           H3*        G  12  -7.520  -1.601  -0.056
  104    H2*    G  12           H2*        G  12  -7.173  -1.310   2.246
  105   2HO*    G  12          2HO*        G  12  -9.874  -1.557   2.278
  106    H1*    G  12           H1*        G  12  -8.260  -3.838   2.953
  107    H8     G  12           H8         G  12  -5.416  -4.891   1.038
  108    H1     G  12           H1         G  12  -3.950  -3.861   7.149
  109   1H2     G  12          2H2         G  12  -5.500  -2.586   8.123
  110   2H2     G  12          1H2         G  12  -6.898  -1.967   7.248
  111   1H5*    A  13          1H5*        A  13  -8.010   2.517   1.476
  112   2H5*    A  13          2H5*        A  13  -7.918   3.166  -0.175
  113    H4*    A  13           H4*        A  13  -6.641   0.557   0.722
  114    H3*    A  13           H3*        A  13  -5.702   3.376   0.789
  115    H2*    A  13           H2*        A  13  -3.801   3.080  -0.421
  116   2HO*    A  13          2HO*        A  13  -3.216   1.270   1.059
  117    H1*    A  13           H1*        A  13  -4.523   0.939  -2.064
  118    H8     A  13           H8         A  13  -3.217   3.007  -3.386
  119   1H6     A  13          2H6         A  13  -7.362   7.299  -4.924
  120   2H6     A  13          1H6         A  13  -5.723   6.743  -5.171
  121    H2     A  13           H2         A  13  -9.259   4.539  -1.938
  122   1H5*    C  14          2H5*        C  14  -5.972   1.527   5.997
  123   2H5*    C  14          1H5*        C  14  -5.103   3.074   6.249
  124    H4*    C  14           H4*        C  14  -4.176   1.432   7.749
  125    H3*    C  14           H3*        C  14  -2.516   2.315   5.441
  126    H2*    C  14           H2*        C  14  -0.912   0.599   5.641
  127   2HO*    C  14          2HO*        C  14  -0.576  -0.498   7.480
  128    H1*    C  14           H1*        C  14  -2.434  -1.438   6.253
  129   1H4     C  14          2H4         C  14  -2.649  -2.426   0.087
  130   2H4     C  14          1H4         C  14  -4.219  -1.687   0.090
  131    H5     C  14           H5         C  14  -5.147  -0.502   1.944
  132    H6     C  14           H6         C  14  -4.759   0.196   4.241
  133   1H5*    C  15          1H5*        C  15   0.598   1.879   7.909
  134   2H5*    C  15          2H5*        C  15   1.580   3.335   8.060
  135    H4*    C  15           H4*        C  15   2.910   1.393   7.321
  136    H3*    C  15           H3*        C  15   2.578   3.564   5.234
  137    H2*    C  15           H2*        C  15   4.096   2.312   3.861
  138   2HO*    C  15          2HO*        C  15   5.235   0.505   4.755
  139    H1*    C  15           H1*        C  15   3.145  -0.136   4.660
  140   1H4     C  15          2H4         C  15  -0.318  -0.287  -0.571
  141   2H4     C  15          1H4         C  15  -1.579   0.547   0.302
  142    H5     C  15           H5         C  15  -1.267   1.561   2.472
  143    H6     C  15           H6         C  15   0.288   1.860   4.298
  144   1H5*    A  16          2H5*        A  16   7.688   5.922   5.604
  145   2H5*    A  16          1H5*        A  16   6.443   6.254   4.385
  146    H4*    A  16           H4*        A  16   8.922   4.546   4.196
  147    H3*    A  16           H3*        A  16   7.582   6.676   2.550
  148    H2*    A  16           H2*        A  16   8.068   5.670   0.494
  149   2HO*    A  16          2HO*        A  16   9.584   3.941   0.299
  150    H1*    A  16           H1*        A  16   7.608   3.143   1.123
  151    H8     A  16           H8         A  16   4.966   4.929   3.095
  152   1H6     A  16          2H6         A  16   1.477   3.072  -1.705
  153   2H6     A  16          1H6         A  16   1.428   3.708  -0.048
  154    H2     A  16           H2         A  16   5.795   2.707  -2.815
  155   1H5*    C  17          2H5*        C  17  10.862   8.040   0.365
  156   2H5*    C  17          1H5*        C  17  10.076   9.556  -0.154
  157    H4*    C  17           H4*        C  17   9.966   7.031  -1.393
  158    H3*    C  17           H3*        C  17   8.227   9.484  -1.796
  159    H2*    C  17           H2*        C  17   7.111   8.211  -3.474
  160   2HO*    C  17          2HO*        C  17   8.118   6.334  -4.386
  161    H1*    C  17           H1*        C  17   7.410   5.767  -2.005
  162   1H4     C  17          2H4         C  17   1.244   6.619  -0.972
  163   2H4     C  17          1H4         C  17   1.744   7.097   0.647
  164    H5     C  17           H5         C  17   3.987   7.520   1.266
  165    H6     C  17           H6         C  17   6.279   7.592   0.552
  166   1H5*    U  18          2H5*        U  18  10.157  10.749  -7.255
  167   2H5*    U  18          1H5*        U  18   9.086  11.616  -6.128
  168    H4*    U  18           H4*        U  18   8.446   9.010  -7.609
  169    H3*    U  18           H3*        U  18   7.811  11.710  -8.269
  170    H2*    U  18           H2*        U  18   5.595  11.562  -7.189
  171   2HO*    U  18          2HO*        U  18   4.373   9.715  -8.331
  172    H1*    U  18           H1*        U  18   5.836   8.713  -7.340
  173    H3     U  18           H3         U  18   1.643   9.187  -5.689
  174    H5     U  18           H5         U  18   4.298   9.776  -2.485
  175    H6     U  18           H6         U  18   6.067  10.045  -4.173
  176   1H5*    U  19          2H5*        U  19   9.612   7.724 -10.055
  177   2H5*    U  19          1H5*        U  19  10.488   8.166 -11.539
  178    H4*    U  19           H4*        U  19   9.694   5.779 -11.689
  179    H3*    U  19           H3*        U  19   9.133   7.762 -13.674
  180    H2*    U  19           H2*        U  19   6.829   7.842 -13.362
  181   2HO*    U  19          2HO*        U  19   5.856   6.287 -14.748
  182    H1*    U  19           H1*        U  19   6.826   4.935 -12.661
  183    H3     U  19           H3         U  19   2.398   4.886 -12.110
  184    H5     U  19           H5         U  19   3.492   8.505 -10.255
  185    H6     U  19           H6         U  19   5.767   8.100 -10.937
  186   1H5*    A  20          1H5*        A  20  12.589   6.930 -12.261
  187   2H5*    A  20          2H5*        A  20  13.384   5.521 -12.994
  188    H4*    A  20           H4*        A  20  13.963   5.688 -10.630
  189    H3*    A  20           H3*        A  20  12.543   3.404 -11.785
  190    H2*    A  20           H2*        A  20  11.374   2.696 -10.011
  191   2HO*    A  20          2HO*        A  20  12.479   1.993  -8.374
  192    H1*    A  20           H1*        A  20  11.859   4.786  -8.108
  193    H8     A  20           H8         A  20   9.386   3.300 -10.736
  194   1H6     A  20          2H6         A  20   4.937   6.077  -7.615
  195   2H6     A  20          1H6         A  20   5.325   5.018  -8.951
  196    H2     A  20           H2         A  20   8.815   7.333  -5.774
  197   1H5*    A  21          2H5*        A  21  13.699  -0.743  -9.999
  198   2H5*    A  21          1H5*        A  21  12.101  -0.613 -10.760
  199    H4*    A  21           H4*        A  21  12.868   0.067  -7.890
  200    H3*    A  21           H3*        A  21  11.197  -1.976  -9.285
  201    H2*    A  21           H2*        A  21   9.266  -0.973  -8.669
  202   2HO*    A  21          2HO*        A  21   8.613  -1.561  -6.666
  203    H1*    A  21           H1*        A  21  10.829   0.477  -6.577
  204    H8     A  21           H8         A  21   7.665   0.536  -8.747
  205   1H6     A  21          1H6         A  21   5.720   5.210  -5.162
  206   2H6     A  21          2H6         A  21   5.202   4.039  -6.380
  207    H2     A  21           H2         A  21   9.863   4.441  -4.152
  208   1H5*    A  22          1H5*        A  22  14.884  -3.792  -5.033
  209   2H5*    A  22          2H5*        A  22  13.173  -3.437  -5.168
  210    H4*    A  22           H4*        A  22  15.360  -1.332  -4.981
  211    H3*    A  22           H3*        A  22  13.882  -2.847  -2.888
  212    H2*    A  22           H2*        A  22  12.959  -1.054  -1.918
  213   2HO*    A  22          2HO*        A  22  15.339   0.422  -2.442
  214    H1*    A  22           H1*        A  22  13.837   0.934  -3.900
  215    H8     A  22           H8         A  22  10.702  -0.938  -4.721
  216   1H6     A  22          1H6         A  22   7.628   3.538  -1.896
  217   2H6     A  22          2H6         A  22   7.513   2.184  -2.996
  218    H2     A  22           H2         A  22  12.007   3.971  -0.831
  219   1H5*    A  23          2H5*        A  23  14.613  -4.961   0.342
  220   2H5*    A  23          1H5*        A  23  13.078  -4.571  -0.457
  221    H4*    A  23           H4*        A  23  14.981  -2.608   0.875
  222    H3*    A  23           H3*        A  23  12.622  -4.107   1.771
  223    H2*    A  23           H2*        A  23  11.154  -2.454   1.990
  224   2HO*    A  23          2HO*        A  23  12.123  -1.690   3.842
  225    H1*    A  23           H1*        A  23  12.581  -0.201   0.860
  226    H8     A  23           H8         A  23  11.348  -2.694  -1.781
  227   1H6     A  23          1H6         A  23   5.894   0.110  -1.598
  228   2H6     A  23          2H6         A  23   6.934  -0.971  -2.501
  229    H2     A  23           H2         A  23   8.051   1.151   2.179
  230   1H5*    A  24          1H5*        A  24  13.744  -2.868   5.509
  231   2H5*    A  24          2H5*        A  24  14.259  -4.143   6.633
  232    H4*    A  24           H4*        A  24  12.226  -3.245   7.478
  233    H3*    A  24           H3*        A  24  12.360  -5.986   6.486
  234    H2*    A  24           H2*        A  24  10.685  -5.767   4.924
  235   2HO*    A  24          2HO*        A  24   9.649  -6.356   7.390
  236    H1*    A  24           H1*        A  24   9.380  -3.688   6.625
  237    H8     A  24           H8         A  24   9.686  -5.018   2.968
  238   1H6     A  24          2H6         A  24   5.195  -1.036   1.686
  239   2H6     A  24          1H6         A  24   6.257  -2.264   1.030
  240    H2     A  24           H2         A  24   6.288  -0.509   5.994
  241   1H5*    C  25          2H5*        C  25   9.193  -5.815  11.303
  242   2H5*    C  25          1H5*        C  25  10.913  -5.485  11.022
  243    H4*    C  25           H4*        C  25  11.533  -7.619  12.016
  244    H3*    C  25           H3*        C  25   8.625  -8.125  11.751
  245    H2*    C  25           H2*        C  25   8.214  -8.809  13.867
  246   2HO*    C  25          2HO*        C  25  10.383 -10.206  13.454
  247    H1*    C  25           H1*        C  25  10.266  -7.538  15.293
  248   1H4     C  25          2H4         C  25   4.751  -3.817  14.965
  249   2H4     C  25          1H4         C  25   4.983  -4.181  16.660
  250    H5     C  25           H5         C  25   6.796  -5.525  17.487
  251    H6     C  25           H6         C  25   8.643  -7.010  16.853
  252   1H5*    A  26          2H5*        A  26   6.944  -9.379   9.812
  253   2H5*    A  26          1H5*        A  26   7.369  -9.121   8.107
  254    H4*    A  26           H4*        A  26   7.664  -6.927  10.174
  255    H3*    A  26           H3*        A  26   5.254  -7.800   8.624
  256    H2*    A  26           H2*        A  26   4.633  -5.611   8.246
  257   2HO*    A  26          2HO*        A  26   4.931  -5.134  10.600
  258    H1*    A  26           H1*        A  26   7.282  -4.521   8.237
  259    H8     A  26           H8         A  26   7.560  -6.715   5.450
  260   1H6     A  26          1H6         A  26   3.946  -3.092   2.104
  261   2H6     A  26          2H6         A  26   5.142  -4.365   2.073
  262    H2     A  26           H2         A  26   3.008  -2.295   6.380
  263   1H5*    A  27          2H5*        A  27   2.284  -7.765  13.892
  264   2H5*    A  27          1H5*        A  27   1.838  -7.448  12.201
  265    H4*    A  27           H4*        A  27   3.788  -5.883  13.924
  266    H3*    A  27           H3*        A  27   1.025  -5.460  12.870
  267    H2*    A  27           H2*        A  27   1.410  -3.369  12.037
  268   2HO*    A  27          2HO*        A  27   3.080  -2.035  12.797
  269    H1*    A  27           H1*        A  27   4.056  -3.559  11.311
  270    H8     A  27           H8         A  27   2.767  -6.499   9.502
  271   1H6     A  27          1H6         A  27  -0.217  -3.004   5.605
  272   2H6     A  27          2H6         A  27   0.318  -4.620   6.026
  273    H2     A  27           H2         A  27   1.268  -0.315   8.857
  274   1H5*    C  28          2H5*        C  28  -2.379  -4.084  14.957
  275   2H5*    C  28          1H5*        C  28  -2.003  -4.214  13.228
  276    H4*    C  28           H4*        C  28  -2.491  -1.637  14.781
  277    H3*    C  28           H3*        C  28  -4.199  -3.461  13.226
  278    H2*    C  28           H2*        C  28  -4.817  -2.087  11.505
  279   2HO*    C  28          2HO*        C  28  -5.523  -0.444  13.060
  280    H1*    C  28           H1*        C  28  -2.651  -0.470  11.174
  281   1H4     C  28          2H4         C  28  -2.021  -5.357   7.083
  282   2H4     C  28          1H4         C  28  -0.563  -5.748   8.007
  283    H5     C  28           H5         C  28  -0.037  -4.752  10.181
  284    H6     C  28           H6         C  28  -0.737  -2.952  11.776
  285   1H5*    G  29          1H5*        G  29  -6.942  -1.236  13.780
  286   2H5*    G  29          2H5*        G  29  -8.492  -1.611  14.550
  287    H4*    G  29           H4*        G  29  -8.773  -1.316  12.158
  288    H3*    G  29           H3*        G  29  -8.811  -4.260  12.881
  289    H2*    G  29           H2*        G  29  -9.378  -4.700  10.628
  290   2HO*    G  29          2HO*        G  29 -10.544  -2.231  10.834
  291    H1*    G  29           H1*        G  29  -7.874  -2.482   9.653
  292    H8     G  29           H8         G  29  -5.390  -4.213  11.533
  293    H1     G  29           H1         G  29  -5.930  -6.461   5.582
  294   1H2     G  29          2H2         G  29  -7.932  -5.935   4.761
  295   2H2     G  29          1H2         G  29  -9.130  -5.035   5.669
  296   1H5*    G  30          1H5*        G  30 -12.879  -4.343  12.463
  297   2H5*    G  30          2H5*        G  30 -13.522  -5.708  13.392
  298    H4*    G  30           H4*        G  30 -13.041  -5.926  10.838
  299    H3*    G  30           H3*        G  30 -11.964  -7.961  12.813
  300    H2*    G  30           H2*        G  30 -11.195  -9.194  10.955
  301   2HO*    G  30          2HO*        G  30 -12.041  -8.743   8.831
  302    H1*    G  30           H1*        G  30 -11.022  -6.878   9.322
  303    H8     G  30           H8         G  30  -8.459  -6.288  11.845
  304    H1     G  30           H1         G  30  -6.444  -9.643   6.777
  305   1H2     G  30          2H2         G  30  -8.216 -10.540   5.752
  306   2H2     G  30          1H2         G  30  -9.858 -10.309   6.312
  307    H3T    G  30           H3T        G  30 -14.176  -7.968  12.779
  Start of MODEL   19
    1   1H5*    A   3          2H5*        A   3  -1.535   6.243  -9.658
    2   2H5*    A   3          1H5*        A   3  -2.029   5.841  -7.894
    3    H4*    A   3           H4*        A   3  -4.116   5.106  -9.782
    4    H3*    A   3           H3*        A   3  -3.145   7.888  -9.418
    5    H2*    A   3           H2*        A   3  -5.387   8.616  -9.870
    6   2HO*    A   3          2HO*        A   3  -6.896   6.646  -9.542
    7    H1*    A   3           H1*        A   3  -6.181   7.535  -7.734
    8    H8     A   3           H8         A   3  -5.678   8.932  -5.575
    9   1H6     A   3          2H6         A   3   0.116   9.959  -4.150
   10   2H6     A   3          1H6         A   3  -1.593  10.152  -3.724
   11    H2     A   3           H2         A   3   0.203   7.768  -8.018
   12   1H5*    G   4          1H5*        G   4  -2.431   3.253 -12.823
   13   2H5*    G   4          2H5*        G   4  -2.211   4.196 -11.371
   14    H4*    G   4           H4*        G   4  -0.159   3.873 -13.713
   15    H3*    G   4           H3*        G   4  -0.386   2.382 -11.099
   16    H2*    G   4           H2*        G   4   1.975   1.962 -11.114
   17   2HO*    G   4          2HO*        G   4   3.257   2.772 -12.847
   18    H1*    G   4           H1*        G   4   2.670   4.494 -11.618
   19    H8     G   4           H8         G   4  -0.438   4.385 -10.094
   20    H1     G   4           H1         G   4   3.638   5.770  -5.538
   21   1H2     G   4          2H2         G   4   5.714   5.268  -6.263
   22   2H2     G   4          1H2         G   4   6.061   4.547  -7.819
   23   1H5*    U   5          1H5*        U   5   1.212  -1.452 -10.053
   24   2H5*    U   5          2H5*        U   5   0.617  -0.125  -9.027
   25    H4*    U   5           H4*        U   5   3.417  -0.022 -10.154
   26    H3*    U   5           H3*        U   5   2.609  -1.096  -7.450
   27    H2*    U   5           H2*        U   5   4.717  -0.453  -6.581
   28   2HO*    U   5          2HO*        U   5   5.276   0.018  -9.313
   29    H1*    U   5           H1*        U   5   4.364   1.983  -7.536
   30    H3     U   5           H3         U   5   3.149   2.621  -3.262
   31    H5     U   5           H5         U   5  -0.359   1.633  -5.338
   32    H6     U   5           H6         U   5   1.023   0.914  -7.134
   33   1H5*    G   6          1H5*        G   6   7.452  -4.743  -7.581
   34   2H5*    G   6          2H5*        G   6   6.186  -5.943  -7.276
   35    H4*    G   6           H4*        G   6   7.215  -3.719  -5.644
   36    H3*    G   6           H3*        G   6   5.604  -6.188  -4.878
   37    H2*    G   6           H2*        G   6   5.252  -5.130  -2.789
   38   2HO*    G   6          2HO*        G   6   7.800  -4.362  -3.185
   39    H1*    G   6           H1*        G   6   5.711  -2.524  -3.832
   40    H8     G   6           H8         G   6   2.598  -3.539  -5.433
   41    H1     G   6           H1         G   6   1.907  -0.304   0.052
   42   1H2     G   6          2H2         G   6   3.865  -0.455   1.209
   43   2H2     G   6          1H2         G   6   5.254  -1.331   0.607
   44   1H5*    G   7          1H5*        G   7   5.527  -8.732  -1.855
   45   2H5*    G   7          2H5*        G   7   5.081  -7.409  -2.967
   46    H4*    G   7           H4*        G   7   6.904  -6.488  -0.887
   47    H3*    G   7           H3*        G   7   4.534  -8.111   0.008
   48    H2*    G   7           H2*        G   7   3.876  -6.481   1.574
   49   2HO*    G   7          2HO*        G   7   5.274  -4.851   2.274
   50    H1*    G   7           H1*        G   7   4.678  -4.288   0.144
   51    H8     G   7           H8         G   7   2.794  -6.068  -2.392
   52    H1     G   7           H1         G   7  -0.997  -2.485   1.333
   53   1H2     G   7          2H2         G   7   0.116  -2.019   3.276
   54   2H2     G   7          1H2         G   7   1.739  -2.584   3.610
   55   1H5*   CH   8          1H5*       CH   8   2.903 -10.069   2.597
   56   2H5*   CH   8          2H5*       CH   8   3.207  -8.579   1.705
   57    H4*   CH   8           H4*       CH   8   4.188  -8.247   4.396
   58    H3*   CH   8           H3*       CH   8   1.417  -9.375   4.086
   59    H2*   CH   8           H2*       CH   8   0.688  -8.022   5.924
   60   2HO*   CH   8          2HO*       CH   8   2.116  -6.644   7.006
   61    H1*   CH   8           H1*       CH   8   1.693  -5.831   5.004
   62    HN3   CH   8           H3        CH   8  -2.571  -5.236   3.766
   63   1H4    CH   8          1H4        CH   8  -2.742  -6.072   0.273
   64   2H4    CH   8          2H4        CH   8  -3.554  -5.327   1.604
   65    H5    CH   8           H5        CH   8  -0.559  -7.033   0.462
   66    H6    CH   8           H6        CH   8   1.255  -7.588   1.969
   67   1H5*    G   9          1H5*        G   9   0.952 -13.132   3.147
   68   2H5*    G   9          2H5*        G   9   1.380 -11.634   2.276
   69    H4*    G   9           H4*        G   9  -1.307 -12.212   3.551
   70    H3*    G   9           H3*        G   9  -0.242 -13.156   0.997
   71    H2*    G   9           H2*        G   9  -1.473 -11.887  -0.378
   72   2HO*    G   9          2HO*        G   9  -3.369 -13.228   0.813
   73    H1*    G   9           H1*        G   9  -2.856 -10.166   1.390
   74    H8     G   9           H8         G   9  -2.911  -8.610  -0.718
   75    H1     G   9           H1         G   9   3.375  -9.151  -1.589
   76   1H2     G   9          2H2         G   9   4.233 -10.546  -0.088
   77   2H2     G   9          1H2         G   9   3.247 -11.338   1.120
   78   1H5*    C  10          2H5*        C  10  -3.949 -16.002  -1.063
   79   2H5*    C  10          1H5*        C  10  -4.032 -14.547  -2.083
   80    H4*    C  10           H4*        C  10  -6.170 -15.211  -0.854
   81    H3*    C  10           H3*        C  10  -4.973 -12.459  -0.463
   82    H2*    C  10           H2*        C  10  -6.844 -11.873   0.838
   83   2HO*    C  10          2HO*        C  10  -8.061 -13.983  -0.578
   84    H1*    C  10           H1*        C  10  -7.179 -14.369   1.978
   85   1H4     C  10          2H4         C  10  -5.200 -11.078   6.889
   86   2H4     C  10          1H4         C  10  -3.637 -11.869   6.689
   87    H5     C  10           H5         C  10  -3.034 -13.071   4.616
   88    H6     C  10           H6         C  10  -3.843 -14.043   2.580
   89   1H5*    C  11          1H5*        C  11  -8.112 -11.546  -1.278
   90   2H5*    C  11          2H5*        C  11  -8.720 -10.283  -2.342
   91    H4*    C  11           H4*        C  11  -9.286  -9.855  -0.016
   92    H3*    C  11           H3*        C  11  -7.178  -7.886  -0.985
   93    H2*    C  11           H2*        C  11  -7.459  -6.805   1.079
   94   2HO*    C  11          2HO*        C  11 -10.052  -7.552   0.685
   95    H1*    C  11           H1*        C  11  -8.421  -9.265   2.304
   96   1H4     C  11          2H4         C  11  -3.936  -7.933   6.438
   97   2H4     C  11          1H4         C  11  -2.949  -9.126   5.596
   98    H5     C  11           H5         C  11  -3.519 -10.053   3.494
   99    H6     C  11           H6         C  11  -5.197 -10.127   1.679
  100   1H5*    G  12          1H5*        G  12  -9.626  -3.008  -1.689
  101   2H5*    G  12          2H5*        G  12  -8.084  -3.850  -1.365
  102    H4*    G  12           H4*        G  12 -10.266  -3.569   0.723
  103    H3*    G  12           H3*        G  12  -8.104  -1.541   0.058
  104    H2*    G  12           H2*        G  12  -7.880  -1.109   2.366
  105   2HO*    G  12          2HO*        G  12  -9.527  -1.806   3.848
  106    H1*    G  12           H1*        G  12  -8.718  -3.691   3.125
  107    H8     G  12           H8         G  12  -5.755  -4.506   1.224
  108    H1     G  12           H1         G  12  -4.543  -3.299   7.333
  109   1H2     G  12          2H2         G  12  -6.270  -2.201   8.254
  110   2H2     G  12          1H2         G  12  -7.708  -1.765   7.323
  111   1H5*    A  13          2H5*        A  13  -8.833   1.324   2.627
  112   2H5*    A  13          1H5*        A  13 -10.154   0.656   3.608
  113    H4*    A  13           H4*        A  13  -9.833   3.542   2.698
  114    H3*    A  13           H3*        A  13  -8.813   2.203   4.936
  115    H2*    A  13           H2*        A  13 -10.653   1.919   6.214
  116   2HO*    A  13          2HO*        A  13  -9.558   3.941   7.008
  117    H1*    A  13           H1*        A  13 -12.287   4.143   5.160
  118    H8     A  13           H8         A  13 -12.590   0.441   4.210
  119   1H6     A  13          1H6         A  13 -17.306   0.210   8.165
  120   2H6     A  13          2H6         A  13 -16.412  -0.672   6.947
  121    H2     A  13           H2         A  13 -15.374   4.251   8.532
  122   1H5*    C  14          1H5*        C  14  -5.395   2.685   3.712
  123   2H5*    C  14          2H5*        C  14  -6.663   1.818   4.640
  124    H4*    C  14           H4*        C  14  -5.114   2.337   6.689
  125    H3*    C  14           H3*        C  14  -3.308   2.930   4.386
  126    H2*    C  14           H2*        C  14  -1.665   1.330   4.977
  127   2HO*    C  14          2HO*        C  14  -1.470   0.541   7.023
  128    H1*    C  14           H1*        C  14  -3.151  -0.643   5.789
  129   1H4     C  14          2H4         C  14  -2.732  -2.459  -0.187
  130   2H4     C  14          1H4         C  14  -4.342  -1.852  -0.423
  131    H5     C  14           H5         C  14  -5.529  -0.511   1.175
  132    H6     C  14           H6         C  14  -5.395   0.502   3.381
  133   1H5*    C  15          2H5*        C  15   0.267   4.425   7.630
  134   2H5*    C  15          1H5*        C  15   0.933   5.444   6.328
  135    H4*    C  15           H4*        C  15   2.200   3.276   7.460
  136    H3*    C  15           H3*        C  15   2.527   4.588   4.761
  137    H2*    C  15           H2*        C  15   3.879   2.815   3.963
  138   2HO*    C  15          2HO*        C  15   4.862   1.316   5.306
  139    H1*    C  15           H1*        C  15   2.555   0.790   5.152
  140   1H4     C  15          2H4         C  15  -0.317   0.328  -0.384
  141   2H4     C  15          1H4         C  15  -1.648   1.225   0.307
  142    H5     C  15           H5         C  15  -1.535   2.375   2.442
  143    H6     C  15           H6         C  15  -0.133   2.796   4.385
  144   1H5*    A  16          1H5*        A  16   6.885   4.619   5.952
  145   2H5*    A  16          2H5*        A  16   7.447   6.276   5.717
  146    H4*    A  16           H4*        A  16   8.799   4.501   4.514
  147    H3*    A  16           H3*        A  16   7.539   6.822   3.084
  148    H2*    A  16           H2*        A  16   8.023   5.920   0.912
  149   2HO*    A  16          2HO*        A  16   9.568   4.216   0.673
  150    H1*    A  16           H1*        A  16   7.598   3.355   1.431
  151    H8     A  16           H8         A  16   4.893   5.216   3.222
  152   1H6     A  16          2H6         A  16   1.480   3.230  -1.495
  153   2H6     A  16          1H6         A  16   1.468   3.911   0.137
  154    H2     A  16           H2         A  16   5.808   2.802  -2.615
  155   1H5*    C  17          1H5*        C  17   9.716   9.072  -0.016
  156   2H5*    C  17          2H5*        C  17   8.428   8.073   0.760
  157    H4*    C  17           H4*        C  17  10.091   6.365  -0.821
  158    H3*    C  17           H3*        C  17   9.095   8.876  -2.225
  159    H2*    C  17           H2*        C  17   8.271   7.581  -4.027
  160   2HO*    C  17          2HO*        C  17   9.170   5.460  -4.445
  161    H1*    C  17           H1*        C  17   7.795   5.270  -2.452
  162   1H4     C  17          2H4         C  17   1.954   6.707  -4.052
  163   2H4     C  17          1H4         C  17   1.797   7.417  -2.447
  164    H5     C  17           H5         C  17   3.730   7.842  -0.961
  165    H6     C  17           H6         C  17   6.127   7.526  -0.701
  166   1H5*    U  18          1H5*        U  18  10.280   8.980  -6.941
  167   2H5*    U  18          2H5*        U  18   9.177   9.643  -5.715
  168    H4*    U  18           H4*        U  18   8.594   7.074  -7.198
  169    H3*    U  18           H3*        U  18   8.387   9.755  -8.316
  170    H2*    U  18           H2*        U  18   5.990   9.925  -8.104
  171   2HO*    U  18          2HO*        U  18   4.929   7.606  -8.802
  172    H1*    U  18           H1*        U  18   5.802   7.262  -7.301
  173    H3     U  18           H3         U  18   1.590   9.026  -5.901
  174    H5     U  18           H5         U  18   4.589  10.665  -3.431
  175    H6     U  18           H6         U  18   6.222   9.785  -4.842
  176   1H5*    U  19          1H5*        U  19   9.782   6.528  -9.772
  177   2H5*    U  19          2H5*        U  19  11.149   6.413 -10.903
  178    H4*    U  19           H4*        U  19   9.624   4.477 -11.329
  179    H3*    U  19           H3*        U  19  10.161   6.472 -13.380
  180    H2*    U  19           H2*        U  19   7.943   7.073 -13.705
  181   2HO*    U  19          2HO*        U  19   8.545   5.799 -15.573
  182    H1*    U  19           H1*        U  19   7.103   4.315 -12.936
  183    H3     U  19           H3         U  19   2.827   5.535 -13.864
  184    H5     U  19           H5         U  19   4.043   8.179 -10.805
  185    H6     U  19           H6         U  19   6.316   7.479 -11.257
  186   1H5*    A  20          1H5*        A  20  12.051   3.237 -13.770
  187   2H5*    A  20          2H5*        A  20  12.465   1.599 -14.308
  188    H4*    A  20           H4*        A  20  13.136   2.326 -11.910
  189    H3*    A  20           H3*        A  20  12.248  -0.215 -12.974
  190    H2*    A  20           H2*        A  20  10.721  -0.832 -11.492
  191   2HO*    A  20          2HO*        A  20  11.456  -0.856  -9.186
  192    H1*    A  20           H1*        A  20  11.074   1.299  -9.474
  193    H8     A  20           H8         A  20   8.571  -0.540 -11.851
  194   1H6     A  20          1H6         A  20   4.114   2.766  -9.343
  195   2H6     A  20          2H6         A  20   4.513   1.459 -10.435
  196    H2     A  20           H2         A  20   7.966   4.327  -7.711
  197   1H5*    A  21          2H5*        A  21  14.723  -2.732  -8.832
  198   2H5*    A  21          1H5*        A  21  13.327  -2.064  -9.704
  199    H4*    A  21           H4*        A  21  14.136  -1.055  -6.934
  200    H3*    A  21           H3*        A  21  12.279  -3.328  -7.698
  201    H2*    A  21           H2*        A  21  10.734  -2.473  -6.290
  202   2HO*    A  21          2HO*        A  21  11.659  -3.075  -4.401
  203    H1*    A  21           H1*        A  21  12.486  -0.087  -5.818
  204    H8     A  21           H8         A  21   9.117  -1.346  -7.308
  205   1H6     A  21          2H6         A  21   6.701   4.017  -5.635
  206   2H6     A  21          1H6         A  21   6.373   2.485  -6.422
  207    H2     A  21           H2         A  21  10.773   4.042  -4.225
  208   1H5*    A  22          1H5*        A  22  15.373  -3.048  -4.480
  209   2H5*    A  22          2H5*        A  22  15.408  -3.803  -2.877
  210    H4*    A  22           H4*        A  22  15.952  -1.286  -3.043
  211    H3*    A  22           H3*        A  22  14.116  -2.658  -1.133
  212    H2*    A  22           H2*        A  22  13.012  -0.811  -0.545
  213   2HO*    A  22          2HO*        A  22  14.780  -0.117   0.686
  214    H1*    A  22           H1*        A  22  14.326   1.003  -2.489
  215    H8     A  22           H8         A  22  11.260  -1.024  -3.458
  216   1H6     A  22          2H6         A  22   7.825   3.741  -1.543
  217   2H6     A  22          1H6         A  22   7.812   2.215  -2.422
  218    H2     A  22           H2         A  22  12.093   4.533  -0.370
  219   1H5*    A  23          2H5*        A  23  16.175  -3.933   2.931
  220   2H5*    A  23          1H5*        A  23  15.050  -3.995   1.560
  221    H4*    A  23           H4*        A  23  16.109  -1.336   2.503
  222    H3*    A  23           H3*        A  23  14.428  -3.157   4.063
  223    H2*    A  23           H2*        A  23  12.431  -2.209   3.731
  224   2HO*    A  23          2HO*        A  23  13.223  -0.713   5.349
  225    H1*    A  23           H1*        A  23  13.297   0.100   2.141
  226    H8     A  23           H8         A  23  12.143  -3.414   0.740
  227   1H6     A  23          1H6         A  23   7.012  -0.471  -0.952
  228   2H6     A  23          2H6         A  23   7.874  -1.988  -1.013
  229    H2     A  23           H2         A  23   9.681   2.489   1.136
  230   1H5*    A  24          2H5*        A  24  13.744  -3.907   7.309
  231   2H5*    A  24          1H5*        A  24  13.034  -3.628   5.707
  232    H4*    A  24           H4*        A  24  11.799  -2.514   8.236
  233    H3*    A  24           H3*        A  24  11.883  -5.309   7.274
  234    H2*    A  24           H2*        A  24  10.239  -5.042   5.703
  235   2HO*    A  24          2HO*        A  24   9.282  -6.102   7.715
  236    H1*    A  24           H1*        A  24   9.012  -2.901   7.374
  237    H8     A  24           H8         A  24   9.428  -4.201   3.750
  238   1H6     A  24          1H6         A  24   4.980  -0.185   2.321
  239   2H6     A  24          2H6         A  24   6.052  -1.421   1.695
  240    H2     A  24           H2         A  24   5.929   0.289   6.678
  241   1H5*    C  25          2H5*        C  25  12.828  -8.170   9.413
  242   2H5*    C  25          1H5*        C  25  12.645  -8.286   7.649
  243    H4*    C  25           H4*        C  25  10.738  -9.791   7.917
  244    H3*    C  25           H3*        C  25  10.523  -8.668  10.483
  245    H2*    C  25           H2*        C  25  12.068  -9.919  11.603
  246   2HO*    C  25          2HO*        C  25  10.004 -10.741  12.319
  247    H1*    C  25           H1*        C  25  11.732 -12.357   9.928
  248   1H4     C  25          1H4         C  25  17.951 -11.489  12.170
  249   2H4     C  25          2H4         C  25  17.638 -13.206  12.284
  250    H5     C  25           H5         C  25  15.553 -14.214  11.613
  251    H6     C  25           H6         C  25  13.259 -13.771  10.872
  252   1H5*    A  26          1H5*        A  26   6.131  -8.440  10.124
  253   2H5*    A  26          2H5*        A  26   6.037  -8.139   8.378
  254    H4*    A  26           H4*        A  26   6.945  -6.118  10.465
  255    H3*    A  26           H3*        A  26   4.364  -6.724   9.103
  256    H2*    A  26           H2*        A  26   3.934  -4.556   8.551
  257   2HO*    A  26          2HO*        A  26   3.950  -3.174  10.129
  258    H1*    A  26           H1*        A  26   6.661  -3.578   8.664
  259    H8     A  26           H8         A  26   7.099  -5.415   5.824
  260   1H6     A  26          1H6         A  26   3.355  -1.853   2.515
  261   2H6     A  26          2H6         A  26   4.671  -3.004   2.461
  262    H2     A  26           H2         A  26   2.218  -1.387   6.815
  263   1H5*    A  27          1H5*        A  27   1.407  -6.036  14.219
  264   2H5*    A  27          2H5*        A  27   1.128  -5.894  12.472
  265    H4*    A  27           H4*        A  27   2.988  -4.176  14.155
  266    H3*    A  27           H3*        A  27   0.225  -3.859  13.066
  267    H2*    A  27           H2*        A  27   0.579  -1.831  12.077
  268   2HO*    A  27          2HO*        A  27   1.447  -0.875  13.992
  269    H1*    A  27           H1*        A  27   3.224  -2.037  11.359
  270    H8     A  27           H8         A  27   2.024  -5.133   9.847
  271   1H6     A  27          2H6         A  27  -1.122  -2.026   5.670
  272   2H6     A  27          1H6         A  27  -0.562  -3.610   6.176
  273    H2     A  27           H2         A  27   0.266   0.900   8.673
  274   1H5*    C  28          1H5*        C  28  -3.275  -2.537  15.397
  275   2H5*    C  28          2H5*        C  28  -2.870  -2.972  13.725
  276    H4*    C  28           H4*        C  28  -3.509  -0.182  14.773
  277    H3*    C  28           H3*        C  28  -5.078  -2.327  13.521
  278    H2*    C  28           H2*        C  28  -5.692  -1.311  11.572
  279   2HO*    C  28          2HO*        C  28  -5.218   1.198  12.850
  280    H1*    C  28           H1*        C  28  -3.599   0.401  11.056
  281   1H4     C  28          2H4         C  28  -2.528  -4.589   7.352
  282   2H4     C  28          1H4         C  28  -1.074  -4.853   8.334
  283    H5     C  28           H5         C  28  -0.726  -3.758  10.549
  284    H6     C  28           H6         C  28  -1.620  -1.907  12.013
  285   1H5*    G  29          1H5*        G  29  -7.436   0.007  13.365
  286   2H5*    G  29          2H5*        G  29  -9.191   0.061  13.612
  287    H4*    G  29           H4*        G  29  -8.725  -0.320  11.284
  288    H3*    G  29           H3*        G  29  -9.459  -2.941  12.628
  289    H2*    G  29           H2*        G  29  -9.338  -3.958  10.531
  290   2HO*    G  29          2HO*        G  29 -10.382  -1.556   9.741
  291    H1*    G  29           H1*        G  29  -7.580  -1.920   9.524
  292    H8     G  29           H8         G  29  -5.376  -3.601  11.746
  293    H1     G  29           H1         G  29  -6.030  -6.693   6.189
  294   1H2     G  29          2H2         G  29  -7.943  -6.047   5.217
  295   2H2     G  29          1H2         G  29  -9.027  -4.876   5.938
  296   1H5*    G  30          1H5*        G  30 -13.046  -5.211  11.645
  297   2H5*    G  30          2H5*        G  30 -11.450  -5.951  11.359
  298    H4*    G  30           H4*        G  30 -13.343  -4.921   9.209
  299    H3*    G  30           H3*        G  30 -13.059  -7.591  10.538
  300    H2*    G  30           H2*        G  30 -13.020  -8.788   8.502
  301   2HO*    G  30          2HO*        G  30 -13.525  -7.671   6.511
  302    H1*    G  30           H1*        G  30 -11.633  -7.010   7.018
  303    H8     G  30           H8         G  30  -9.885  -7.121  10.345
  304    H1     G  30           H1         G  30  -7.346 -10.777   5.728
  305   1H2     G  30          2H2         G  30  -8.854 -11.026   4.095
  306   2H2     G  30          1H2         G  30 -10.448 -10.307   4.155
  307    H3T    G  30           H3T        G  30 -15.242  -7.685   9.648
  Start of MODEL   20
    1   1H5*    A   3          2H5*        A   3  -8.028   6.044  -8.370
    2   2H5*    A   3          1H5*        A   3  -7.689   4.556  -9.321
    3    H4*    A   3           H4*        A   3  -6.696   6.507 -10.380
    4    H3*    A   3           H3*        A   3  -4.753   4.570  -9.102
    5    H2*    A   3           H2*        A   3  -2.893   5.896  -9.707
    6   2HO*    A   3          2HO*        A   3  -4.730   7.066 -11.509
    7    H1*    A   3           H1*        A   3  -4.070   8.318  -8.964
    8    H8     A   3           H8         A   3  -5.274   6.540  -6.191
    9   1H6     A   3          2H6         A   3   0.251   7.517  -3.635
   10   2H6     A   3          1H6         A   3  -1.456   7.138  -3.339
   11    H2     A   3           H2         A   3   0.676   7.935  -8.087
   12   1H5*    G   4          1H5*        G   4  -2.873   3.921 -12.513
   13   2H5*    G   4          2H5*        G   4  -2.737   2.188 -12.842
   14    H4*    G   4           H4*        G   4  -0.584   3.366 -12.572
   15    H3*    G   4           H3*        G   4  -1.244   1.298 -10.454
   16    H2*    G   4           H2*        G   4   0.958   1.628  -9.559
   17   2HO*    G   4          2HO*        G   4   1.413   2.491 -12.129
   18    H1*    G   4           H1*        G   4   1.020   4.323  -9.974
   19    H8     G   4           H8         G   4  -2.269   3.732  -8.305
   20    H1     G   4           H1         G   4   2.660   5.081  -4.432
   21   1H2     G   4          2H2         G   4   4.565   4.730  -5.535
   22   2H2     G   4          1H2         G   4   4.624   4.175  -7.192
   23   1H5*    U   5          1H5*        U   5   2.295   0.936 -11.599
   24   2H5*    U   5          2H5*        U   5   3.184  -0.568 -11.702
   25    H4*    U   5           H4*        U   5   4.155   1.035 -10.077
   26    H3*    U   5           H3*        U   5   3.019  -1.437  -8.727
   27    H2*    U   5           H2*        U   5   4.206  -0.646  -6.811
   28   2HO*    U   5          2HO*        U   5   5.826   0.433  -8.754
   29    H1*    U   5           H1*        U   5   3.881   2.030  -7.635
   30    H3     U   5           H3         U   5   2.502   2.226  -3.337
   31    H5     U   5           H5         U   5  -0.883   1.489  -5.714
   32    H6     U   5           H6         U   5   0.597   0.874  -7.523
   33   1H5*    G   6          1H5*        G   6   7.043  -2.783  -8.393
   34   2H5*    G   6          2H5*        G   6   7.075  -4.521  -8.071
   35    H4*    G   6           H4*        G   6   7.562  -2.777  -6.179
   36    H3*    G   6           H3*        G   6   5.548  -5.004  -5.733
   37    H2*    G   6           H2*        G   6   5.382  -4.213  -3.506
   38   2HO*    G   6          2HO*        G   6   7.997  -3.542  -3.950
   39    H1*    G   6           H1*        G   6   6.014  -1.581  -4.195
   40    H8     G   6           H8         G   6   2.923  -2.265  -6.052
   41    H1     G   6           H1         G   6   2.030  -0.027  -0.119
   42   1H2     G   6          2H2         G   6   3.932  -0.395   1.075
   43   2H2     G   6          1H2         G   6   5.349  -1.160   0.396
   44   1H5*    G   7          1H5*        G   7   4.980  -7.909  -2.998
   45   2H5*    G   7          2H5*        G   7   4.766  -6.420  -3.951
   46    H4*    G   7           H4*        G   7   6.585  -5.833  -1.824
   47    H3*    G   7           H3*        G   7   4.315  -7.593  -0.923
   48    H2*    G   7           H2*        G   7   3.748  -6.148   0.822
   49   2HO*    G   7          2HO*        G   7   6.452  -5.452   0.613
   50    H1*    G   7           H1*        G   7   4.493  -3.786  -0.386
   51    H8     G   7           H8         G   7   2.392  -5.165  -2.973
   52    H1     G   7           H1         G   7  -1.090  -2.246   1.546
   53   1H2     G   7          2H2         G   7   0.172  -2.067   3.444
   54   2H2     G   7          1H2         G   7   1.816  -2.654   3.565
   55   1H5*   CH   8          1H5*       CH   8   2.774  -8.727   1.564
   56   2H5*   CH   8          2H5*       CH   8   4.049  -9.637   2.392
   57    H4*   CH   8           H4*       CH   8   3.877  -8.084   4.327
   58    H3*   CH   8           H3*       CH   8   1.387  -9.536   3.436
   59    H2*   CH   8           H2*       CH   8   0.363  -8.743   5.493
   60   2HO*   CH   8          2HO*       CH   8   1.666  -7.270   6.795
   61    H1*   CH   8           H1*       CH   8   1.151  -6.261   5.135
   62    HN3   CH   8           H3        CH   8  -2.867  -5.205   3.665
   63   1H4    CH   8          1H4        CH   8  -3.084  -5.778   0.167
   64   2H4    CH   8          2H4        CH   8  -3.818  -5.062   1.560
   65    H5    CH   8           H5        CH   8  -0.926  -6.913   0.293
   66    H6    CH   8           H6        CH   8   0.801  -7.783   1.819
   67   1H5*    G   9          1H5*        G   9   0.117 -11.226   2.823
   68   2H5*    G   9          2H5*        G   9   0.134 -13.005   2.708
   69    H4*    G   9           H4*        G   9   1.598 -11.018   0.906
   70    H3*    G   9           H3*        G   9  -1.104 -12.194   0.775
   71    H2*    G   9           H2*        G   9  -0.865 -13.460  -1.120
   72   2HO*    G   9          2HO*        G   9   1.257 -11.967  -2.164
   73    H1*    G   9           H1*        G   9   1.911 -13.697  -1.361
   74    H8     G   9           H8         G   9  -1.110 -14.804   0.743
   75    H1     G   9           H1         G   9   2.787 -19.555  -0.967
   76   1H2     G   9          2H2         G   9   4.590 -18.736  -1.964
   77   2H2     G   9          1H2         G   9   4.831 -17.020  -2.207
   78   1H5*    C  10          2H5*        C  10  -2.599 -12.065  -1.087
   79   2H5*    C  10          1H5*        C  10  -3.186 -10.584  -1.899
   80    H4*    C  10           H4*        C  10  -4.908 -12.435  -1.701
   81    H3*    C  10           H3*        C  10  -5.262  -9.654  -0.687
   82    H2*    C  10           H2*        C  10  -7.165 -10.081   0.615
   83   2HO*    C  10          2HO*        C  10  -7.415 -12.318  -1.092
   84    H1*    C  10           H1*        C  10  -6.576 -12.486   1.555
   85   1H4     C  10          2H4         C  10  -4.520  -9.383   6.544
   86   2H4     C  10          1H4         C  10  -2.878  -9.546   5.921
   87    H5     C  10           H5         C  10  -2.381 -10.281   3.610
   88    H6     C  10           H6         C  10  -3.340 -11.161   1.578
   89   1H5*    C  11          1H5*        C  11  -8.619  -9.645  -2.059
   90   2H5*    C  11          2H5*        C  11  -9.265  -8.263  -2.942
   91    H4*    C  11           H4*        C  11 -10.129  -8.411  -0.633
   92    H3*    C  11           H3*        C  11  -8.297  -6.028  -1.067
   93    H2*    C  11           H2*        C  11  -8.929  -5.339   1.102
   94   2HO*    C  11          2HO*        C  11 -11.288  -6.536   0.374
   95    H1*    C  11           H1*        C  11  -9.457  -8.042   1.901
   96   1H4     C  11          2H4         C  11  -5.038  -6.974   6.176
   97   2H4     C  11          1H4         C  11  -3.897  -7.739   5.068
   98    H5     C  11           H5         C  11  -4.442  -8.301   2.764
   99    H6     C  11           H6         C  11  -6.144  -8.176   1.037
  100   1H5*    G  12          1H5*        G  12  -9.975  -1.461  -1.161
  101   2H5*    G  12          2H5*        G  12  -8.651  -2.664  -1.195
  102    H4*    G  12           H4*        G  12 -10.439  -2.464   1.216
  103    H3*    G  12           H3*        G  12  -8.206  -0.498   0.599
  104    H2*    G  12           H2*        G  12  -7.707  -0.499   2.893
  105   2HO*    G  12          2HO*        G  12  -9.257  -1.203   4.444
  106    H1*    G  12           H1*        G  12  -8.815  -3.105   3.263
  107    H8     G  12           H8         G  12  -5.951  -3.951   1.244
  108    H1     G  12           H1         G  12  -4.527  -3.403   7.434
  109   1H2     G  12          2H2         G  12  -6.115  -2.236   8.494
  110   2H2     G  12          1H2         G  12  -7.525  -1.584   7.652
  111   1H5*    A  13          2H5*        A  13  -9.128   3.317   4.209
  112   2H5*    A  13          1H5*        A  13  -9.896   4.238   2.899
  113    H4*    A  13           H4*        A  13  -7.377   2.619   2.456
  114    H3*    A  13           H3*        A  13  -7.673   5.428   3.517
  115    H2*    A  13           H2*        A  13  -6.014   6.187   2.155
  116   2HO*    A  13          2HO*        A  13  -4.302   4.985   2.757
  117    H1*    A  13           H1*        A  13  -6.230   4.074   0.163
  118    H8     A  13           H8         A  13  -5.261   6.952  -0.185
  119   1H6     A  13          2H6         A  13 -10.142   9.625  -2.817
  120   2H6     A  13          1H6         A  13  -8.424   9.753  -2.519
  121    H2     A  13           H2         A  13 -11.522   5.813  -0.874
  122   1H5*    C  14          1H5*        C  14  -5.417   2.396   5.089
  123   2H5*    C  14          2H5*        C  14  -6.628   1.530   6.091
  124    H4*    C  14           H4*        C  14  -4.846   1.541   7.934
  125    H3*    C  14           H3*        C  14  -3.259   2.650   5.672
  126    H2*    C  14           H2*        C  14  -1.522   1.056   5.822
  127   2HO*    C  14          2HO*        C  14  -1.140  -0.108   7.653
  128    H1*    C  14           H1*        C  14  -2.887  -1.121   6.379
  129   1H4     C  14          2H4         C  14  -2.934  -2.012   0.191
  130   2H4     C  14          1H4         C  14  -4.559  -1.400   0.177
  131    H5     C  14           H5         C  14  -5.618  -0.337   2.039
  132    H6     C  14           H6         C  14  -5.323   0.323   4.356
  133   1H5*    C  15          1H5*        C  15  -0.349   1.921   8.189
  134   2H5*    C  15          2H5*        C  15   0.663   3.288   8.654
  135    H4*    C  15           H4*        C  15   2.006   1.386   7.842
  136    H3*    C  15           H3*        C  15   2.025   3.810   6.021
  137    H2*    C  15           H2*        C  15   3.647   2.666   4.681
  138   2HO*    C  15          2HO*        C  15   4.630   0.706   5.486
  139    H1*    C  15           H1*        C  15   2.521   0.169   5.091
  140   1H4     C  15          2H4         C  15  -0.172   0.698  -0.533
  141   2H4     C  15          1H4         C  15  -1.530   1.468   0.248
  142    H5     C  15           H5         C  15  -1.521   2.207   2.532
  143    H6     C  15           H6         C  15  -0.208   2.305   4.575
  144   1H5*    A  16          2H5*        A  16   7.055   5.301   6.206
  145   2H5*    A  16          1H5*        A  16   5.875   6.021   5.098
  146    H4*    A  16           H4*        A  16   8.068   4.091   4.586
  147    H3*    A  16           H3*        A  16   6.565   6.190   3.015
  148    H2*    A  16           H2*        A  16   7.273   5.206   0.984
  149   2HO*    A  16          2HO*        A  16   8.849   3.593   0.897
  150    H1*    A  16           H1*        A  16   6.763   2.718   1.620
  151    H8     A  16           H8         A  16   3.962   4.419   3.389
  152   1H6     A  16          2H6         A  16   0.771   2.793  -1.655
  153   2H6     A  16          1H6         A  16   0.669   3.348   0.025
  154    H2     A  16           H2         A  16   5.183   2.489  -2.579
  155   1H5*    C  17          2H5*        C  17  10.280   6.962   0.895
  156   2H5*    C  17          1H5*        C  17   9.869   8.477   0.055
  157    H4*    C  17           H4*        C  17   9.881   5.988  -1.080
  158    H3*    C  17           H3*        C  17   8.144   8.352  -1.848
  159    H2*    C  17           H2*        C  17   7.473   6.998  -3.712
  160   2HO*    C  17          2HO*        C  17   8.634   5.105  -4.259
  161    H1*    C  17           H1*        C  17   7.421   4.671  -2.209
  162   1H4     C  17          2H4         C  17   1.219   5.702  -2.529
  163   2H4     C  17          1H4         C  17   1.330   6.257  -0.859
  164    H5     C  17           H5         C  17   3.401   6.656   0.274
  165    H6     C  17           H6         C  17   5.864   6.618   0.055
  166   1H5*    U  18          2H5*        U  18  10.254   9.825  -6.893
  167   2H5*    U  18          1H5*        U  18   9.057  10.532  -5.791
  168    H4*    U  18           H4*        U  18   8.664   8.050  -7.526
  169    H3*    U  18           H3*        U  18   7.997  10.779  -7.995
  170    H2*    U  18           H2*        U  18   5.734  10.553  -7.081
  171   2HO*    U  18          2HO*        U  18   4.579   8.781  -8.421
  172    H1*    U  18           H1*        U  18   5.926   7.719  -7.443
  173    H3     U  18           H3         U  18   1.758   7.973  -5.551
  174    H5     U  18           H5         U  18   4.570   8.467  -2.478
  175    H6     U  18           H6         U  18   6.238   8.883  -4.171
  176   1H5*    U  19          2H5*        U  19   9.621   6.300 -10.180
  177   2H5*    U  19          1H5*        U  19  10.253   7.159 -11.601
  178    H4*    U  19           H4*        U  19   9.827   4.641 -12.015
  179    H3*    U  19           H3*        U  19   9.237   6.723 -13.867
  180    H2*    U  19           H2*        U  19   6.914   6.631 -13.701
  181   2HO*    U  19          2HO*        U  19   7.674   5.674 -15.775
  182    H1*    U  19           H1*        U  19   7.028   3.672 -13.256
  183    H3     U  19           H3         U  19   2.577   3.508 -13.003
  184    H5     U  19           H5         U  19   3.519   6.827 -10.577
  185    H6     U  19           H6         U  19   5.815   6.561 -11.250
  186   1H5*    A  20          2H5*        A  20  13.072   2.841 -13.621
  187   2H5*    A  20          1H5*        A  20  12.411   1.299 -14.181
  188    H4*    A  20           H4*        A  20  13.236   1.756 -11.656
  189    H3*    A  20           H3*        A  20  11.444  -0.193 -12.884
  190    H2*    A  20           H2*        A  20   9.768  -0.225 -11.446
  191   2HO*    A  20          2HO*        A  20  10.285  -0.469  -9.163
  192    H1*    A  20           H1*        A  20  10.678   1.690  -9.463
  193    H8     A  20           H8         A  20   8.258   1.013 -12.456
  194   1H6     A  20          1H6         A  20   4.101   4.223  -9.352
  195   2H6     A  20          2H6         A  20   4.394   3.158 -10.708
  196    H2     A  20           H2         A  20   7.987   4.801  -7.250
  197   1H5*    A  21          2H5*        A  21  13.742  -3.563  -8.797
  198   2H5*    A  21          1H5*        A  21  12.427  -2.769  -9.685
  199    H4*    A  21           H4*        A  21  13.337  -1.864  -6.885
  200    H3*    A  21           H3*        A  21  11.057  -3.669  -7.743
  201    H2*    A  21           H2*        A  21   9.759  -2.612  -6.222
  202   2HO*    A  21          2HO*        A  21  10.354  -2.732  -4.208
  203    H1*    A  21           H1*        A  21  11.827  -0.444  -5.905
  204    H8     A  21           H8         A  21   8.594  -1.301  -7.889
  205   1H6     A  21          1H6         A  21   6.217   3.912  -5.530
  206   2H6     A  21          2H6         A  21   5.855   2.499  -6.523
  207    H2     A  21           H2         A  21  10.256   3.436  -3.928
  208   1H5*    A  22          2H5*        A  22  15.387  -1.619  -5.652
  209   2H5*    A  22          1H5*        A  22  15.858  -2.645  -4.292
  210    H4*    A  22           H4*        A  22  15.758  -0.142  -3.854
  211    H3*    A  22           H3*        A  22  14.362  -2.225  -2.205
  212    H2*    A  22           H2*        A  22  13.179  -0.702  -1.065
  213   2HO*    A  22          2HO*        A  22  15.186   0.028  -0.101
  214    H1*    A  22           H1*        A  22  13.893   1.582  -2.833
  215    H8     A  22           H8         A  22  11.172  -0.876  -3.693
  216   1H6     A  22          2H6         A  22   7.134   3.132  -1.367
  217   2H6     A  22          1H6         A  22   7.336   1.684  -2.320
  218    H2     A  22           H2         A  22  11.297   4.521  -0.250
  219   1H5*    A  23          2H5*        A  23  16.338  -4.392   1.229
  220   2H5*    A  23          1H5*        A  23  15.293  -4.087  -0.174
  221    H4*    A  23           H4*        A  23  15.940  -1.864   1.767
  222    H3*    A  23           H3*        A  23  14.093  -4.185   2.164
  223    H2*    A  23           H2*        A  23  12.298  -2.923   2.630
  224   2HO*    A  23          2HO*        A  23  13.033  -2.039   4.515
  225    H1*    A  23           H1*        A  23  13.283  -0.386   1.592
  226    H8     A  23           H8         A  23  12.068  -3.465  -0.549
  227   1H6     A  23          2H6         A  23   6.679  -0.514  -0.854
  228   2H6     A  23          1H6         A  23   7.561  -1.945  -1.332
  229    H2     A  23           H2         A  23   9.527   2.051   1.458
  230   1H5*    A  24          2H5*        A  24  13.335  -2.007   6.343
  231   2H5*    A  24          1H5*        A  24  14.002  -3.408   7.204
  232    H4*    A  24           H4*        A  24  11.893  -2.827   8.181
  233    H3*    A  24           H3*        A  24  12.282  -5.374   6.704
  234    H2*    A  24           H2*        A  24  10.403  -5.278   5.452
  235   2HO*    A  24          2HO*        A  24   9.630  -5.940   8.021
  236    H1*    A  24           H1*        A  24   9.055  -3.383   7.314
  237    H8     A  24           H8         A  24   9.506  -4.443   3.593
  238   1H6     A  24          1H6         A  24   4.981  -0.466   2.365
  239   2H6     A  24          2H6         A  24   6.081  -1.648   1.682
  240    H2     A  24           H2         A  24   5.845  -0.234   6.747
  241   1H5*    C  25          2H5*        C  25  13.064  -8.457  10.742
  242   2H5*    C  25          1H5*        C  25  11.560  -9.396  10.653
  243    H4*    C  25           H4*        C  25  10.486  -7.761  12.198
  244    H3*    C  25           H3*        C  25  12.826  -6.212  11.622
  245    H2*    C  25           H2*        C  25  14.141  -6.706  13.339
  246   2HO*    C  25          2HO*        C  25  13.205  -6.054  15.483
  247    H1*    C  25           H1*        C  25  12.172  -7.982  15.120
  248   1H4     C  25          1H4         C  25  18.136 -10.529  15.767
  249   2H4     C  25          2H4         C  25  17.346 -12.006  15.261
  250    H5     C  25           H5         C  25  15.067 -12.082  14.483
  251    H6     C  25           H6         C  25  13.060 -10.759  14.007
  252   1H5*    A  26          1H5*        A  26   8.176  -7.208  11.726
  253   2H5*    A  26          2H5*        A  26   8.292  -7.514   9.979
  254    H4*    A  26           H4*        A  26   7.785  -4.783  11.205
  255    H3*    A  26           H3*        A  26   5.879  -6.893  10.210
  256    H2*    A  26           H2*        A  26   4.661  -5.334   9.101
  257   2HO*    A  26          2HO*        A  26   4.083  -3.462  10.004
  258    H1*    A  26           H1*        A  26   6.732  -3.258   9.078
  259    H8     A  26           H8         A  26   7.508  -5.773   6.421
  260   1H6     A  26          2H6         A  26   3.768  -2.613   2.784
  261   2H6     A  26          1H6         A  26   5.139  -3.696   2.858
  262    H2     A  26           H2         A  26   2.565  -1.749   6.989
  263   1H5*    A  27          2H5*        A  27   2.261  -7.976  13.294
  264   2H5*    A  27          1H5*        A  27   1.982  -7.392  11.640
  265    H4*    A  27           H4*        A  27   3.105  -5.851  13.995
  266    H3*    A  27           H3*        A  27   0.617  -5.762  12.318
  267    H2*    A  27           H2*        A  27   0.649  -3.495  12.087
  268   2HO*    A  27          2HO*        A  27   1.796  -2.112  13.446
  269    H1*    A  27           H1*        A  27   3.287  -3.024  11.838
  270    H8     A  27           H8         A  27   2.613  -6.003   9.551
  271   1H6     A  27          1H6         A  27  -0.625  -2.427   5.859
  272   2H6     A  27          2H6         A  27   0.022  -4.034   6.138
  273    H2     A  27           H2         A  27   0.602   0.078   9.319
  274   1H5*    C  28          1H5*        C  28  -3.641  -4.831  14.395
  275   2H5*    C  28          2H5*        C  28  -3.105  -4.411  12.758
  276    H4*    C  28           H4*        C  28  -3.777  -2.477  15.028
  277    H3*    C  28           H3*        C  28  -4.999  -3.325  12.481
  278    H2*    C  28           H2*        C  28  -5.530  -1.397  11.558
  279   2HO*    C  28          2HO*        C  28  -5.122   0.642  12.652
  280    H1*    C  28           H1*        C  28  -3.114  -0.204  11.914
  281   1H4     C  28          2H4         C  28  -2.453  -4.672   7.220
  282   2H4     C  28          1H4         C  28  -0.984  -5.063   8.121
  283    H5     C  28           H5         C  28  -0.523  -4.207  10.363
  284    H6     C  28           H6         C  28  -1.343  -2.563  12.098
  285   1H5*    G  29          1H5*        G  29  -9.956  -0.697  14.537
  286   2H5*    G  29          2H5*        G  29 -10.489  -2.179  15.327
  287    H4*    G  29           H4*        G  29 -10.591  -1.513  12.595
  288    H3*    G  29           H3*        G  29 -10.680  -4.325  13.728
  289    H2*    G  29           H2*        G  29 -10.910  -5.011  11.465
  290   2HO*    G  29          2HO*        G  29 -12.339  -2.705  11.316
  291    H1*    G  29           H1*        G  29  -9.513  -2.626  10.555
  292    H8     G  29           H8         G  29  -6.974  -4.289  12.363
  293    H1     G  29           H1         G  29  -7.339  -6.114   6.240
  294   1H2     G  29          2H2         G  29  -9.373  -5.622   5.459
  295   2H2     G  29          1H2         G  29 -10.614  -4.871   6.440
  296   1H5*    G  30          1H5*        G  30 -14.423  -6.890  12.547
  297   2H5*    G  30          2H5*        G  30 -12.831  -7.398  13.156
  298    H4*    G  30           H4*        G  30 -13.727  -6.965  10.282
  299    H3*    G  30           H3*        G  30 -12.844  -9.434  11.807
  300    H2*    G  30           H2*        G  30 -12.005 -10.294   9.775
  301   2HO*    G  30          2HO*        G  30 -12.698  -9.306   7.750
  302    H1*    G  30           H1*        G  30 -11.639  -7.716   8.652
  303    H8     G  30           H8         G  30  -9.301  -7.798  11.466
  304    H1     G  30           H1         G  30  -6.863  -9.738   5.863
  305   1H2     G  30          2H2         G  30  -8.547 -10.309   4.510
  306   2H2     G  30          1H2         G  30 -10.228 -10.213   4.988
  307    H3T    G  30           H3T        G  30 -15.165  -8.706  11.330