*HEADER    RNA                                     04-JAN-05   1YG3              
*TITLE     SOLUTION STRUCTURE OF THE SCYLV P1-P2 FRAMESHIFTING                   
*TITLE    2 PSEUDOKNOT, 20 LOWEST ENERGY STRUCTURES                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SCYLV RNA PSEUDOKNOT;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: IN VITRO TRANSCRIPTION                                
*KEYWDS    RNA PSEUDOKNOT; RIBOSOMAL FRAMESHIFTING; PROTONATED CYTIDINE          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    P.V.CORNISH, M.HENNIG, D.P.GIEDROC                                    
*REVDAT   1   13-DEC-05 1YG3    0                                                


{By Base Pair}
{       A3      U18     }
{       G4      C17     }
assign (residue 4 and name H1)(residue 18 and name H1')     4.0  1.0  1.6 
assign (residue 4 and name H2')(residue 5 and name H3)      4.5  1.0  1.0
assign (residue 4 and name H1)(residue 21 and name H61)     4.5  0.8  0.8
assign (residue 4 and name H1)(residue 21 and name H62)     4.5  0.8  0.8
{       U5      A16     }
assign (residue 5 and name H3)(residue 6 and name H1')      4.5  0.7  0.7
assign (residue 5 and name H3)(residue 17 and name H1')     4.0  0.7  0.7
assign (residue 5 and name H3)(residue 6 and name H1)       5.0  1.5  1.5
assign (residue 5 and name H3)(residue 21 and name H61)     4.5  0.8  0.8
assign (residue 5 and name H3)(residue 21 and name H62)     4.5  0.8  0.8
assign (residue 5 and name H3)(residue 23 and name H61)     4.5  0.8  0.8
assign (residue 5 and name H3)(residue 23 and name H62)     4.5  0.8  0.8
{       G6      C15     }
assign (residue 6 and name H1)(residue 7 and name H1')      3.5  0.7  1.0
assign (residue 6 and name H1)(residue 23 and name H61)     4.5  0.8  0.8
assign (residue 6 and name H1)(residue 23 and name H62)     4.5  0.8  0.8
{       G7      C14     }
assign (residue 7 and name H1)(residue 14 and name H2')    4.5  1.0  1.0
assign (residue 7 and name H1)(residue 26 and name H61)    4.5  0.8  0.8
assign (residue 7 and name H1)(residue 26 and name H62)    4.5  0.8  0.8
{       C10     G30     }

{       C11     G29     }

{       G12     C28     }
assign (residue 12 and name H1)(residue 14 and name H5')   4.0  0.9  0.9
assign (residue 12 and name H1)(residue 14 and name H3')   4.5  1.0  1.0
assign (residue 12 and name H1)(residue 14 and name H6)    4.5  1.0  1.0
assign (residue 12 and name H1)(residue 14 and name H42)   4.5  1.3  1.3
assign (residue 12 and name H1)(residue 29 and name H1)    5.5  1.5  1.5

{       C8      }
assign (residue 8 and name H3)(residue 14 and name H1')    4.5  1.0  1.5
assign (residue 8 and name H42)(residue 12 and name H8)    4.0  1.0  1.0 
assign (residue 8 and name H41)(residue 12 and name H8)    4.5  1.0  1.0
assign (residue 8 and name H41)(residue 14 and name H1')   5.0  1.0  1.0
assign (residue 8 and name H42)(residue 14 and name H1')   5.0  1.0  1.0

{By Base Pair}
{ A3 U18 }
assign (residue 3 and name H2)(residue 18 and name H3)     3.0  0.5  0.5

{ G4 C17 }
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 17 and name H41)    2.5  0.5  1.0 
assign (residue 4 and name H1)(residue 17 and name H42)    2.5  0.5  0.5

{ U5 A16 }
assign (residue 5 and name H3)(residue 16 and name H2)     3.0  0.5  0.5
assign (residue 5 and name H3)(residue 5 and name H2')     4.0  1.0  1.0

{ G6 C15 }
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  0.5  1.0

{ G7 C14 }
assign (residue 7 and name H1)(residue 12 and name H1')    5.0  2.0  2.0
assign (residue 7 and name H1)(residue 8 and name H5)      4.0  1.0  1.0
assign (residue 7 and name H1)(residue 8 and name H3)      3.7  1.0  1.0
assign (residue 7 and name H1)(residue 8 and name H41)     3.3  0.8  0.8
assign (residue 7 and name H1)(residue 8 and name H42)     3.3  0.8  0.8
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  0.5
assign (residue 7 and name H1)(residue 15 and name H41)    3.0  0.5  0.5
assign (residue 7 and name H1)(residue 15 and name H42)    3.0  0.5  0.5

{ C10 G30 }
assign (residue 29 and name H1)(residue 30 and name H1)    3.0  1.0  1.0
{ C11 G29 }
assign (residue 11 and name H41)(residue 29 and name H1)   2.7  0.5  0.5
assign (residue 11 and name H42)(residue 29 and name H1)   2.3  0.5  0.5

{ G12 C28 }
assign (residue 12 and name H1)(residue 14 and name H1')   2.5  0.5  0.5
assign (residue 12 and name H1)(residue 14 and name H2')   3.5  0.5  0.8
assign (residue 12 and name H1)(residue 14 and name H5'')  4.0  1.0  1.5
assign (residue 12 and name H1)(residue 28 and name H41)   3.0  0.8  0.8
assign (residue 12 and name H1)(residue 28 and name H42)   2.0  0.5  0.8

{       C14     }
assign (residue 14 and name HO2')(residue 14 and name H1') 2.5  0.5  0.5
assign (residue 14 and name HO2')(residue 14 and name H2') 2.0  0.5  0.5
assign (residue 14 and name HO2')(residue 15 and name H6)  3.3  0.7  0.7
{ C15 }
assign (residue 15 and name HO2')(residue 15 and name H1') 2.5  0.5  0.5
assign (residue 15 and name HO2')(residue 15 and name H2') 2.0  0.5  0.5
assign (residue 15 and name HO2')(residue 15 and name H3') 3.0  0.5  0.5
assign (residue 15 and name HO2')(residue 16 and name H5') 3.0  1.0  1.0
assign (residue 15 and name HO2')(residue 16 and name H5'')3.0  1.0  1.0
assign (residue 15 and name HO2')(residue 16 and name H8)  3.5  0.7  0.7
assign (residue 15 and name HO2')(residue 26 and name H2)  3.5  1.0  1.0 
assign (residue 15 and name HO2')(residue 23 and name H2)  4.3  1.0  1.0
assign (residue 15 and name HO2')(residue 24 and name H2)  3.0  1.0  1.0
assign (residue 15 and name HO2')(residue 24 and name H61) 3.5  1.0  1.0
{ G1 }
{intra- and inter- sugar crosspeaks}
{sugar cross peaks to H2, H5, H6, and H8}
{inter-base crosspeaks}
{ A2 }
{intra- and inter- sugar crosspeaks}
assign (residue 2 and name H1')(residue 2 and name H2')   2.5  0.5  0.5
assign (residue 2 and name H1')(residue 2 and name H3')   4.3  0.8  0.5
assign (residue 2 and name H1')(residue 2 and name H4')   3.3  0.5  0.5
assign (residue 2 and name H2')(residue 2 and name H3')   2.5  0.5  0.5
assign (residue 2 and name H2')(residue 2 and name H4')   5.0  0.8  0.5
assign (residue 2 and name H3')(residue 2 and name H4')   3.3  0.8  0.5
assign (residue 2 and name H3')(residue 2 and name H5')   3.3  0.5  1.0
assign (residue 2 and name H3')(residue 2 and name H5'')  4.3  0.5  1.0
assign (residue 2 and name H4')(residue 2 and name H5')   2.5  0.5  0.5
assign (residue 2 and name H4')(residue 2 and name H5'')  2.5  0.5  0.5
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 2 and name H1')(residue 2 and name H8)    3.3  0.5  0.5
assign (residue 2 and name H1')(residue 3 and name H8)    4.3  0.5  1.0
assign (residue 2 and name H2')(residue 2 and name H8)    2.5  0.5  0.5
assign (residue 2 and name H2')(residue 3 and name H8)    2.5  0.5  0.8
assign (residue 2 and name H3')(residue 2 and name H8)    4.3  0.5  0.8
assign (residue 2 and name H3')(residue 3 and name H8)    3.3  0.5  0.8
assign (residue 2 and name H4')(residue 2 and name H8)    5.0  0.5  1.5
assign (residue 2 and name H5')(residue 2 and name H8)    4.3  0.7  0.7
assing (residue 2 and name H5'')(residue 2 and name H8)   4.3  0.7  0.7
{ A3 }
{intra- and inter- sugar crosspeaks}
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 H2')(residue 3 and name H4')   5.0  1.3  1.0
assign (residue 3 and name H3')(residue 3 and name H4')   3.3  0.5  0.7
assign (residue 3 and name H3')(residue 3 and name H5')   4.3  0.5  1.0
assign (residue 3 and name H3')(residue 3 and name H5'')  5.0  1.5  1.0
assign (residue 3 and name H4')(residue 3 and name H5')   2.5  0.5  0.7
assign (residue 3 and name H4')(residue 3 and name H5'')  2.5  0.5  0.7
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 3 and name H1')(residue 3 and name H8)    3.3  0.5  1.0
assign (residue 3 and name H2')(residue 3 and name H8)    3.3  0.7  0.7
assign (residue 3 and name H2')(residue 4 and name H8)    3.5  0.9  0.7
assign (residue 3 and name H3')(residue 3 and name H8)    4.3  1.0  1.0
assign (residue 3 and name H5')(residue 3 and name H8)    5.0  1.0  1.0
assign (residue 3 and name H5'')(residue 3 and name H8)   5.0  1.0  1.0
assign (residue 3 and name H2)(residue 19 and name H5)    4.0  0.7  0.7
{ G4 }
{intra- and inter- sugar crosspeaks}
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 H3')   4.3  0.8  0.8
assign (residue 4 and name H1')(residue 4 and name H4')   4.3  1.0  0.5
assign (residue 4 and name H2')(residue 4 and name H3')   2.5  0.5  0.5
assign (residue 4 and name H2')(residue 4 and name H4')   5.0  1.0  1.0
assign (residue 4 and name H3')(residue 4 and name H4')   3.3  0.8  0.8
assign (residue 4 and name H3')(residue 4 and name H5')   4.3  1.0  0.5
assign (residue 4 and name H3')(residue 4 and name H5'')  5.0  1.0  1.0
assign (residue 4 and name H4')(residue 4 and name H5')   2.5  0.5  0.5
assign (residue 4 and name H4')(residue 4 and name H5'')  2.5  0.5  0.7
assign (residue 4 and name H2')(residue 5 and name H1')   4.3  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 4 and name H1')(residue 5 and name H6)    5.0  1.0  1.0
assign (residue 4 and name H1')(residue 3 and name H2)    2.5  0.7  0.7
assign (residue 4 and name H2')(residue 5 and name H5)    3.3  1.0  1.5
assign (residue 4 and name H2')(residue 5 and name H6)    2.5  0.5  0.7 
assign (residue 4 and name H3')(residue 4 and name H8)    4.3  1.0  0.5
assign (residue 4 and name H3')(residue 5 and name H5)    3.7  0.9  0.9
assign (residue 4 and name H3')(residue 5 and name H6)    3.7  0.7  0.7
assign (residue 4 and name H4')(residue 4 and name H8)    5.0  1.0  1.0
{ U5 }
{intra- and inter- sugar crosspeaks}
assign (residue 5 and name H1')(residue 5 and name H2')   2.5  0.5  0.5
assign (residue 5 and name H3')(residue 5 and name H5')   4.3  0.8  0.8
assign (residue 5 and name H3')(residue 5 and name H5'')  4.3  0.8  0.8
assign (residue 5 and name H4')(residue 5 and name H5')   2.5  0.5  0.8
assign (residue 5 and name H4')(residue 5 and name H5'')  2.5  0.5  0.8
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 5 and name H1')(residue 5 and name H6)    4.3  1.0  0.5
assign (residue 5 and name H1')(residue 6 and name H8)    4.3  1.0  0.5
assign (residue 5 and name H2')(residue 5 and name H6)    4.0  1.0  1.0
assign (residue 5 and name H2')(residue 6 and name H8)    3.2  0.7  1.3
assign (residue 5 and name H3')(residue 5 and name H6)    3.3  0.6  0.6
{ G6 }
{intra- and inter- sugar crosspeaks}
assign (residue 6 and name H1')(residue 6 and name H2')   2.5  0.5  1.0
assign (residue 6 and name H1')(residue 6 and name H3')   4.3  0.7  0.7
assign (residue 6 and name H1')(residue 6 and name H4')   3.5  0.7  0.7
assign (residue 6 and name H4')(residue 6 and name H5')   2.5  0.5  0.5
assign (residue 6 and name H4')(residue 6 and name H5'')  2.5  0.5  0.5
assign (residue 6 and name H4')(residue 21 and name H2')  5.0  1.5  1.5
assign (residue 6 and name H5')(residue 21 and name H2')  5.0  1.5  1.5
assign (residue 6 and name H5'')(residue 21 and name H2') 5.0  1.5  1.5
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 6 and name H1')(residue 6 and name H8)    5.0  1.2  1.2
assign (residue 6 and name H1')(residue 16 and name H2)   5.0  1.5  1.5
assign (residue 6 and name H2')(residue 7 and name H8)    3.0  1.0  1.0 
assign (residue 6 and name H3')(residue 6 and name H8)    4.3  1.0  1.0
assign (residue 6 and name H3')(residue 7 and name H8)    3.5  1.0  1.5
assign (residue 6 and name H4')(residue 6 and name H8)    5.0  1.0  1.0
assign (residue 6 and name H4')(residue 22 and name H8)   4.3  0.7  0.7
assign (residue 6 and name H5')(residue 6 and name H8)    5.0  1.0  1.0
assign (residue 6 and name H5')(residue 22 and name H8)   4.3  1.0  1.0
assign (residue 6 and name H5'')(residue 22 and name H8)  4.3  1.0  1.0
{ G7 }
{intra- and inter- sugar crosspeaks}
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 H3')   4.3  1.0  1.0
assign (residue 7 and name H1')(residue 7 and name H4')   3.3  1.0  1.0
assign (residue 7 and name H2')(residue 7 and name H3')   2.5  0.5  1.0
assign (residue 7 and name H2')(residue 8 and name H5')   5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 7 and name H1')(residue 7 and name H8)    4.3  1.0  1.0
assign (residue 7 and name H2')(residue 7 and name H8)    5.0  1.0  1.0
assign (residue 7 and name H2')(residue 8 and name H5)    5.0  1.0  1.0
assign (residue 7 and name H2')(residue 8 and name H6)    2.5  0.7  1.0
assign (residue 7 and name H3')(residue 8 and name H6)    3.3  1.0  1.2
assign (residue 7 and name H4')(residue 7 and name H8)    5.0  1.5  1.5
{ C8 }
{intra- and inter- sugar crosspeaks}
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 H2')(residue 8 and name H3')   2.5  0.5  0.8
assign (residue 8 and name H3')(residue 8 and name H4')   4.3  0.8  0.8
assign (residue 8 and name H3')(residue 8 and name H5')   4.3  0.7  0.7
assign (residue 8 and name H4')(residue 8 and name H5')   3.3  0.7  0.7
assign (residue 8 and name H4')(residue 8 and name H5'')  3.3  0.7  0.7
{sugar cross peaks to H2, H5, H6, and H8}
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  1.0  1.0
assign (residue 8 and name H3')(residue 8 and name H6)    3.3  1.0  1.0
assign (residue 8 and name H4')(residue 8 and name H6)    5.0  1.0  1.0
assign (residue 8 and name H5')(residue 8 and name H6)    4.3  1.0  1.0
assign (residue 8 and name H5'')(residue 8 and name H6)   4.3  1.0  1.0
{inter-base crosspeaks}
{ G9 }
{intra- and inter- sugar crosspeaks}
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 H4')   3.5  1.0  1.0
assign (residue 9 and name H2')(residue 9 and name H3')   3.0  0.7  0.7
assign (residue 9 and name H2')(residue 9 and name H4')   4.3  1.0  1.0
assign (residue 9 and name H3')(residue 9 and name H4')   3.0  0.7  0.7
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 9 and name H2')(residue 10 and name H6)   3.3  1.0  1.0
assign (residue 9 and name H3')(residue 10 and name H6)   4.3  1.0  1.0
{inter-base crosspeaks}
{ C10 }
{intra- and inter- sugar crosspeaks}
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 10 and name H3') 2.7  0.5  0.5
assign (residue 10 and name H3')(residue 10 and name H4') 3.0  0.7  0.7
assign (residue 10 and name H3')(residue 10 and name H5') 3.7  1.0  1.0
assign (residue 10 and name H3')(residue 10 and name H5'')4.3  1.0  1.0
assign (residue 10 and name H4')(residue 10 and name H5') 3.3  0.7  0.7
assign (residue 10 and name H4')(residue 10 and name H5'')3.3  0.7  0.7
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 10 and name H1')(residue 10 and name H6)  4.0  1.2  1.2
assign (residue 10 and name H2')(residue 11 and name H6)  2.5  0.7  0.7
assign (residue 10 and name H3')(residue 10 and name H5)  5.0  1.0  1.0
assign (residue 10 and name H3')(residue 10 and name H6)  4.3  0.7  0.7
assign (residue 10 and name H3')(residue 11 and name H6)  3.3  0.7  1.0
assign (residue 10 and name H4')(residue 10 and name H6)  5.0  1.5  1.5
assign (residue 10 and name H5')(residue 10 and name H6)  5.0  1.5  1.5
assign (residue 10 and name H5')(residue 11 and name H6)  5.0  1.5  1.5
assign (residue 10 and name H5'')(residue 10 and name H6) 5.0  1.5  1.5
assign (residue 10 and name H5'')(residue 11 and name H5) 5.0  1.5  1.5
{inter-base crosspeaks}
assign (residue 10 and name H5)(residue 11 and name H6)   5.0  1.0  1.0
assign (residue 10 and name H6)(residue 11 and name H5)   4.0  1.0  1.0
{ C11 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  0.7  0.7
assign (residue 11 and name H1')(residue 11 and name H4') 3.3  0.7  0.7
assign (residue 11 and name H2')(residue 11 and name H3') 3.0  0.8  0.8
assign (residue 11 and name H2')(residue 12 and name H5'')4.3  1.0  1.0
assign (residue 11 and name H3')(residue 11 and name H5') 4.3  1.0  1.0
assign (residue 11 and name H4')(residue 11 and name H5') 3.3  0.8  0.8
assign (residue 11 and name H4')(residue 11 and name H5'')3.3  0.8  0.8
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 11 and name H1')(residue 11 and name H6) 4.3  1.0  1.0
assign (residue 11 and name H2')(residue 11 and name H6) 3.7  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 11 and name H6) 4.3  1.0  1.0
assign (residue 11 and name H3')(residue 12 and name H8) 3.7  1.0  1.0
{inter-base crosspeaks}
{ G12 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  0.7  0.7
assign (residue 12 and name H1')(residue 12 and name H4') 3.3  0.7  0.7
assign (residue 12 and name H2')(residue 12 and name H3') 2.5  0.5  0.5
assign (residue 12 and name H3')(residue 12 and name H4') 3.3  0.8  0.8
assign (residue 12 and name H3')(residue 12 and name H5') 4.3  1.0  1.0
assign (residue 12 and name H3')(residue 12 and name H5'')4.3  0.8  0.8
assign (residue 12 and name H4')(residue 12 and name H5') 3.3  0.8  0.8
assign (residue 12 and name H4')(residue 12 and name H5'')3.3  0.8  0.8
assign (residue 12 and name H2')(residue 13 and name H4') 5.0  1.0  1.0
assign (residue 12 and name H2')(residue 13 and name H5') 4.3  1.0  1.3
assign (residue 12 and name H2')(residue 13 and name H5'')4.3  1.0  1.3
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 12 and name H1')(residue 12 and name H8)  4.3  1.0  1.0
assign (residue 12 and name H2')(residue 12 and name H8)  3.3  0.7  0.7
assign (residue 12 and name H2')(residue 14 and name H5)  3.5  1.0  1.0
assign (residue 12 and name H2')(residue 14 and name H6)  5.0  1.0  1.0
assign (residue 12 and name H3')(residue 12 and name H8)  3.7  1.0  1.5
assign (residue 12 and name H3')(residue 14 and name H5)  4.3  1.0  1.0
{inter-base crosspeaks}
assign (residue 12 and name H8)(residue 14 and name H5)   5.0  1.0  1.0
{ A13 }
{intra- and inter- sugar crosspeaks}
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 H4') 3.3  0.7  0.7
assign (residue 13 and name H1')(residue 13 and name H5') 5.0  1.0  1.0
assign (residue 13 and name H1')(residue 13 and name H5'')5.0  1.0  1.0
assign (residue 13 and name H2')(residue 13 and name H3') 2.5  0.5  0.5
assign (residue 13 and name H2')(residue 13 and name H4') 5.0  1.0  1.0
assign (residue 13 and name H2')(residue 13 and name H5') 4.3  1.0  1.0
assign (residue 13 and name H2')(residue 13 and name H5'')5.0  1.0  1.0
assign (residue 13 and name H3')(residue 13 and name H4') 3.3  0.7  0.7
assign (residue 13 and name H3')(residue 13 and name H5') 3.3  0.6  0.6
assign (residue 13 and name H3')(residue 13 and name H5'')3.3  0.7  1.0
assign (residue 13 and name H4')(residue 13 and name H5') 2.5  0.6  0.6
assign (residue 13 and name H4')(residue 13 and name H5'')2.5  0.6  0.6
{sugar cross peaks to H2, H5, H6, and H8}
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 13 and name H3')(residue 14 and name H5)  4.0  1.5  1.5
assign (residue 13 and name H3')(residue 14 and name H6)  5.0  1.5  1.5
assign (residue 13 and name H4')(residue 13 and name H8)  5.5  1.5  1.5
assign (residue 13 and name H4')(residue 14 and name H5)  3.7  0.8  0.9
assign (residue 13 and name H4')(residue 14 and name H6)  4.3  1.0  1.0
assign (residue 13 and name H5')(residue 13 and name H8)  4.3  1.5  1.5
assign (residue 13 and name H5'')(residue 13 and name H8) 5.0  1.0  1.0
assign (residue 13 and name H5')(residue 14 and name H5)  5.0  1.5  1.0
assign (residue 13 and name H5'')(residue 14 and name H5) 5.0  1.5  1.0
{ C14 }
{intra- and inter- sugar crosspeaks}
assign (residue 14 and name H1')(residue 14 and name H2') 2.5  0.5  0.5
assign (residue 14 and name H1')(residue 14 and name H3') 4.3  0.7  0.7
assign (residue 14 and name H1')(residue 14 and name H4') 3.3  0.5  1.0
assign (residue 14 and name H2')(residue 14 and name H3') 2.5  0.8  0.8
assign (residue 14 and name H2')(residue 14 and name H4') 5.0  1.0  1.0
assign (residue 14 and name H3')(residue 14 and name H4') 2.5  0.7  0.7
assign (residue 14 and name H3')(residue 14 and name H5') 4.3  1.5  1.0
assign (residue 14 and name H3')(residue 14 and name H5'')4.3  1.0  1.0
assign (residue 14 and name H4')(residue 14 and name H5') 2.5  0.7  0.7
assign (residue 14 and name H2')(residue 15 and name H5'')5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
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 H6)  5.0  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 H3')(residue 14 and name H6)  3.8  1.0  1.0
assign (residue 14 and name H3')(residue 15 and name H5)  5.0  1.0  1.0
assign (residue 14 and name H3')(residue 15 and name H6)  3.3  0.5  1.0
assign (residue 14 and name H5')(residue 14 and name H6)  4.3  1.7  1.7
{ C15 }
{intra- and inter- sugar crosspeaks}
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 H3') 5.0  1.0  1.0
assign (residue 15 and name H2')(residue 15 and name H3') 2.5  0.7  0.7
assign (residue 15 and name H2')(residue 15 and name H4') 4.3  0.7  0.7
assign (residue 15 and name H3')(residue 15 and name H4') 2.5  0.7  0.7
assign (residue 15 and name H3')(residue 15 and name H5') 3.3  0.7  0.7
assign (residue 15 and name H4')(residue 15 and name H5') 2.5  0.5  0.5
assign (residue 15 and name H4')(residue 15 and name H5'')2.5  0.7  0.7
assign (residue 15 and name H2')(residue 16 and name H1') 4.5  1.0  1.0
assign (residue 15 and name H2')(residue 16 and name H4') 5.0  1.0  1.0
assign (residue 15 and name H2')(residue 16 and name H5') 4.3  1.0  1.0
assign (residue 15 and name H2')(residue 16 and name H5'')4.3  1.5  0.5
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 15 and name H1')(residue 15 and name H6)  5.0  1.0  1.0
assign (residue 15 and name H1')(residue 16 and name H8)  5.0  1.0  1.0
assign (residue 15 and name H1')(residue 26 and name H2)  3.3  1.0  1.0
assign (residue 15 and name H2')(residue 15 and name H6)  4.3  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 15 and name H6)  2.5  0.7  0.7
assign (residue 15 and name H3')(residue 16 and name H8)  3.3  0.7  0.7
assign (residue 15 and name H4')(residue 15 and name H6)  5.0  1.0  1.0
assign (residue 15 and name H4')(residue 26 and name H2)  4.3  1.0  1.0
assign (residue 15 and name H5')(residue 15 and name H6)  5.0  1.0  1.0
assign (residue 15 and name H5'')(residue 15 and name H6) 5.0  1.0  1.0
{ A16 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  0.7  0.7
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 H5') 5.0  1.5  1.5
assign (residue 16 and name H1')(residue 16 and name H5'')5.0  1.5  1.5
assign (residue 16 and name H2')(residue 16 and name H3') 3.3  0.7  0.7
assign (residue 16 and name H3')(residue 16 and name H4') 2.5  0.5  0.5
assign (residue 16 and name H3')(residue 16 and name H5') 3.3  0.7  0.7
assign (residue 16 and name H4')(residue 16 and name H5') 2.5  0.7  0.7
assign (residue 16 and name H4')(residue 16 and name H5'')2.5  0.7  0.7
assign (residue 16 and name H2')(residue 17 and name H1') 4.0  1.2  1.2
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 16 and name H1')(residue 16 and name H8)  5.0  1.0  1.0
assign (residue 16 and name H1')(residue 17 and name H6)  5.0  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)  5.0  1.5  1.5
assign (residue 16 and name H3')(residue 16 and name H8)  3.3  0.7  0.7
assign (residue 16 and name H3')(residue 17 and name H5)  4.3  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)  4.3  1.5  1.5
assign (residue 16 and name H5')(residue 16 and name H8)  5.0  1.5  1.5 
assign (residue 16 and name H5')(residue 24 and name H2)  5.0  1.5  1.5
assign (residue 16 and name H5'')(residue 16 and name H8) 5.0  1.5  1.5
assign (residue 16 and name H5'')(residue 24 and name H2) 5.0  1.5  1.5 
{ C17 }
{intra- and inter- sugar crosspeaks}
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 H2')(residue 17 and name H3') 2.5  0.5  0.5
assign (residue 17 and name H3')(residue 17 and name H4') 2.5  0.7  0.7
assign (residue 17 and name H3')(residue 17 and name H5') 3.3  0.5  0.8
assign (residue 17 and name H3')(residue 17 and name H5'')3.3  0.5  0.5
assign (residue 17 and name H4')(residue 17 and name H5') 2.5  0.7  0.7
assign (residue 17 and name H4')(residue 17 and name H5'')2.5  0.7  0.7
assign (residue 17 and name H2')(residue 18 and name H5') 5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 17 and name H1')(residue 17 and name H6) 3.3  0.7  0.7
assign (residue 17 and name H1')(residue 16 and name H2) 5.0  1.5  1.5
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) 5.0  1.5  1.5
assign (residue 17 and name H1')(residue 22 and name H2) 5.0  1.0  1.0
assign (residue 17 and name H2')(residue 17 and name H6) 4.3  0.8  0.8
assign (residue 17 and name H2')(residue 18 and name H5) 4.3  1.0  0.5
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) 5.0  1.5  1.5
assign (residue 17 and name H3')(residue 17 and name H6) 3.3  0.7  0.7
assign (residue 17 and name H3')(residue 18 and name H5) 4.3  0.7  1.0 
assign (residue 17 and name H3')(residue 18 and name H6) 3.3  0.7  0.7
assign (residue 17 and name H3')(residue 22 and name H2) 5.0  1.0  1.0
assign (residue 17 and name H4')(residue 17 and name H6) 5.0  1.0  1.0
assign (residue 17 and name H4')(residue 21 and name H2) 5.0  1.5  1.5
assign (residue 17 and name H4')(residue 22 and name H2) 4.3  1.5  1.0
assign (residue 17 and name H5')(residue 17 and name H6) 5.0  1.0  1.0
assign (residue 17 and name H5'')(residue 17 and name H6)5.0  1.0  1.0
assign (residue 17 and name H5')(residue 22 and name H2) 5.0  1.0  1.0
assign (residue 17 and name H5'')(residue 22 and name H2)4.3  1.0  1.5
{inter-base crosspeaks}
assign (residue 17 and name H5)(residue 18 and name H5)  5.0  1.5  1.5
assign (residue 17 and name H6)(residue 18 and name H5)  5.0  1.0  1.0
assign (residue 17 and name H6)(residue 18 and name H6)  5.0  1.0  1.0
{ U18 }
{intra- and inter- sugar crosspeaks}
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  1.5  1.5
assign (residue 18 and name H1')(residue 18 and name H5'')5.0  1.5  1.5
assign (residue 18 and name H2')(residue 18 and name H3') 2.5  0.5  0.5
assign (residue 18 and name H2')(residue 18 and name H5'')5.0  1.5  1.5
assign (residue 18 and name H3')(residue 18 and name H4') 3.3  0.7  0.7
assign (residue 18 and name H3')(residue 18 and name H5') 3.3  0.7  0.7
assign (residue 18 and name H3')(residue 18 and name H5'')3.3  0.7  0.7
assign (residue 18 and name H4')(residue 18 and name H5') 2.5  0.5  0.5
assign (residue 18 and name H4')(residue 18 and name H5'')2.5  0.5  0.5
assign (residue 18 and name H4')(residue 19 and name H5') 3.3  0.7  0.7
assign (residue 18 and name H4')(residue 19 and name H5'')4.3  1.0  0.5
{sugar cross peaks to H2, H5, H6, and H8}
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 H5)  4.3  0.7  0.7
assign (residue 18 and name H2')(residue 18 and name H6)  2.5  0.5  0.5
assign (residue 18 and name H3')(residue 18 and name H6)  3.3  1.0  1.0
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 H5')(residue 18 and name H6)  5.0  1.0  1.0
assign (residue 18 and name H5'')(residue 18 and name H6) 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 18 and name H5'')(residue 20 and name H2) 5.0  1.0  1.0
{inter-base cross peaks}
assign (residue 18 and name H6)(residue 20 and name H2)   5.0  1.0  1.0
{ U19 }
{intra- and inter- sugar crosspeaks}
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 H2')(residue 19 and name H3') 2.5  0.5  0.5
assign (residue 19 and name H2')(residue 19 and name H4') 5.0  1.0  1.0
assign (residue 19 and name H2')(residue 19 and name H5') 5.0  1.0  1.0
assign (residue 19 and name H2')(residue 19 and name H5'')5.0  1.0  1.0
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 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 H4')(residue 20 and name H1') 5.0  1.0  1.0
assign (residue 19 and name H4')(residue 20 and name H4') 5.0  1.0  1.0
assign (residue 19 and name H5')(residue 20 and name H1') 5.0  1.0  1.5
assign (residue 19 and name H5'')(residue 20 and name H1')5.0  1.0  1.5
assign (residue 19 and name H5'')(residue 20 and name H4')5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
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 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 H6)  4.3  1.0  1.0
assign (residue 19 and name H5')(residue 19 and name H6)  5.0  1.0  1.0
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 20 and name H2) 5.0  1.5  1.5
{inter-base cross peaks}
assign (residue 19 and name H6)(residue 20 and name H2)   5.0  1.5  1.5
{ A20 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  0.7  0.7
assign (residue 20 and name H1')(residue 20 and name H4') 3.3  0.7  0.7
assign (residue 20 and name H2')(residue 20 and name H3') 2.5  0.5  0.5
assign (residue 20 and name H2')(residue 20 and name H4') 5.0  1.0  1.0
assign (residue 20 and name H2')(residue 20 and name H5') 4.3  1.0  1.0
assign (residue 20 and name H2')(residue 20 and name H5'')5.0  1.0  1.0
assign (residue 20 and name H3')(residue 20 and name H4') 3.3  0.7  0.7
assign (residue 20 and name H3')(residue 20 and name H5') 3.0  0.7  0.7
assign (residue 20 and name H3')(residue 20 and name H5'')3.0  0.7  0.7
assign (residue 20 and name H4')(residue 20 and name H5') 2.5  0.5  0.7
assign (residue 20 and name H4')(residue 20 and name H5'')2.5  0.5  0.7
{sugar cross peaks to H2, H5, H6, and H8}
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 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 H2')(residue 21 and name H8)  4.3  0.5  1.0
assign (residue 20 and name H3')(residue 20 and name H8)  3.3  0.7  0.7
assign (residue 20 and name H5'')(residue 20 and name H8) 5.0  1.0  1.5
{ A21 }
{intra- and inter- sugar crosspeaks}
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 H3') 5.0  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  0.5  1.5
assign (residue 21 and name H1')(residue 21 and name H5'')5.0  0.5  1.5
assign (residue 21 and name H2')(residue 21 and name H4') 3.3  0.5  0.8
assign (residue 21 and name H2')(residue 21 and name H5') 4.3  0.7  0.7
assign (residue 21 and name H3')(residue 21 and name H4') 2.5  0.5  0.5
assign (residue 21 and name H3')(residue 21 and name H5') 3.3  0.7  0.7
assign (residue 21 and name H3')(residue 21 and name H5'')3.3  0.7  0.7
assign (residue 21 and name H4')(residue 21 and name H5') 2.5  0.5  0.7
assign (residue 21 and name H4')(residue 21 and name H5'')2.5  0.5  0.7
assign (residue 21 and name H1')(residue 22 and name H1') 5.0  1.0  1.0
assign (residue 21 and name H4')(residue 22 and name H1') 5.0  1.0  1.0
assign (residue 21 and name H4')(residue 22 and name H4') 5.0  1.0  1.0
assign (residue 21 and name H4')(residue 22 and name H5') 5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
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 H8)  2.5  0.5  0.5
assign (residue 21 and name H2')(residue 21 and name H8)  2.5  0.5  0.5
assign (residue 21 and name H3')(residue 21 and name H8)  3.3  0.7  0.7
assign (residue 21 and name H4')(residue 22 and name H8)  5.0  1.0  1.0
{inter-base crosspeaks}
assign (residue 21 and name H2)(residue 22 and name H2)   5.0  1.0  1.0
{ A22 }
{intra- and inter- sugar crosspeaks}
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 H3') 3.3  1.0  1.0
assign (residue 22 and name H1')(residue 22 and name H4') 3.3  0.7  0.7
assign (residue 22 and name H3')(residue 22 and name H4') 3.3  0.7  0.7
assign (residue 22 and name H4')(residue 22 and name H5') 3.3  0.7  0.7
assign (residue 22 and name H4')(residue 22 and name H5'')3.3  0.7  0.7
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 22 and name H1')(residue 22 and name H8)  4.3  1.0  1.0
assign (residue 22 and name H1')(residue 21 and name H2)  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 H3')(residue 22 and name H8)  5.0  1.0  1.0
assign (residue 22 and name H3')(residue 23 and name H8)  3.3  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 H5'')(residue 22 and name H8) 4.3  0.7  0.7
{ A23 }
{intra- and inter- sugar crosspeaks}
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 H2')(residue 23 and name H3') 2.5  0.5  0.5
assign (residue 23 and name H2')(residue 23 and name H4') 5.0  1.0  1.0
assign (residue 23 and name H3')(residue 23 and name H4') 3.3  0.7  0.7
assign (residue 23 and name H3')(residue 23 and name H5') 4.3  0.7  0.7
assign (residue 23 and name H3')(residue 23 and name H5'')4.3  0.7  0.7
assign (residue 23 and name H4')(residue 23 and name H5') 2.5  0.5  0.7
assign (residue 23 and name H4')(residue 23 and name H5'')2.5  0.5  0.7
assign (residue 23 and name H2')(residue 24 and name H2') 5.0  1.0  1.0
assign (residue 23 and name H2')(residue 24 and name H3') 5.0  1.0  1.5
assign (residue 23 and name H2')(residue 24 and name H5') 5.0  1.0  1.0
assign (residue 23 and name H2')(residue 24 and name H5'')5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 23 and name H1')(residue 23 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H1')(residue 22 and name H2)  5.0  1.0  1.0
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 H3')(residue 24 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H5')(residue 23 and name H8)  5.0  1.0  1.0
assign (residue 23 and name H5'')(residue 23 and name H8) 5.0  1.0  1.0
{ A24 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  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 H2')(residue 24 and name H3') 2.5  0.5  0.5
assign (residue 24 and name H2')(residue 24 and name H4') 4.3  0.7  0.7
assign (residue 24 and name H3')(residue 24 and name H4') 3.3  0.7  0.7
assign (residue 24 and name H3')(residue 24 and name H5') 3.3  0.7  0.7
assign (residue 24 and name H3')(residue 24 and name H5'')3.3  0.7  0.7
assign (residue 24 and name H4')(residue 24 and name H5') 2.5  0.5  0.7
assign (residue 24 and name H4')(residue 24 and name H5'')2.5  0.5  0.7
assign (residue 24 and name H3')(residue 25 and name H5') 3.3  1.0  1.0
assign (residue 24 and name H3')(residue 25 and name H5'')3.3  1.0  1.0
assign (residue 24 and name H3')(residue 25 and name H4') 4.3  0.7  0.7
{sugar cross peaks to H2, H5, H6, and H8}
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  0.8  0.8
assign (residue 24 and name H1')(residue 26 and name H8)  3.8  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 H3')(residue 24 and name H8)  3.3  0.7  0.7
{inter-base cross peaks}
{ C25 }
{intra- and inter- sugar crosspeaks}
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 H2')(residue 25 and name H3') 2.5  0.5  0.5
assign (residue 25 and name H2')(residue 25 and name H5') 4.3  0.7  0.7
assign (residue 25 and name H3')(residue 25 and name H5') 3.3  0.7  0.7
assign (residue 25 and name H3')(residue 25 and name H5'')3.3  0.7  0.7
assign (residue 25 and name H4')(residue 25 and name H5') 2.5  0.5  0.5
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 25 and name H1')(residue 25 and name H6)  3.3  0.7  0.7
assign (residue 25 and name H2')(residue 25 and name H6)  2.5  0.7  0.7
assign (residue 25 and name H3')(residue 25 and name H6)  3.3  0.7  0.7
assign (residue 25 and name H4')(residue 25 and name H6)  5.0  1.0  1.0
assign (residue 25 and name H5')(residue 25 and name H6)  4.3  0.7  0.7
assign (residue 25 and name H5'')(residue 25 and name H6) 4.3  0.7  0.7
{ A26 }
{intra- and inter- sugar crosspeaks}
assign (residue 26 and name H1')(residue 26 and name H2') 2.5  0.5  0.5
assign (residue 26 and name H1')(residue 26 and name H3') 3.3  0.7  1.0
assign (residue 26 and name H1')(residue 26 and name H4') 3.3  0.7  0.7
assign (residue 26 and name H2')(residue 26 and name H3') 3.0  0.7  0.7
assign (residue 26 and name H3')(residue 26 and name H4') 3.0  0.7  0.7
assign (residue 26 and name H4')(residue 26 and name H5') 2.5  0.5  0.5
assign (residue 26 and name H4')(residue 26 and name H5'')2.5  0.5  0.5
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 26 and name H1')(residue 26 and name H8)  4.3  1.0  0.7
assign (residue 26 and name H1')(residue 27 and name H6)  4.3  1.0  1.0
assign (residue 26 and name H1')(residue 24 and name H2)  3.0  0.7  0.7
assign (residue 26 and name H2')(residue 26 and name H8)  5.0  1.0  1.0
assign (residue 26 and name H2')(residue 27 and name H5)  5.0  1.0  1.0
assign (residue 26 and name H2')(residue 27 and name H6)  3.3  0.7  0.7
assign (residue 26 and name H3')(residue 26 and name H8)  4.3  0.7  0.7
assign (residue 26 and name H3')(residue 27 and name H6)  4.3  0.7  0.7
assign (residue 26 and name H4')(residue 26 and name H8)  5.0  1.0  1.0
assign (residue 26 and name H5')(residue 26 and name H8)  3.3  0.7  0.7
assign (residue 26 and name H5'')(residue 26 and name H8) 3.3  0.7  0.7
{inter-base crosspeaks}
assign (residue 26 and name H2)(residue 27 and name H5)   5.0  1.0  1.0
{ C27 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  1.0  1.0
assign (residue 27 and name H1')(residue 27 and name H4') 3.3  1.0  1.0
assign (residue 27 and name H2')(residue 27 and name H3') 2.5  0.5  0.5
assign (residue 27 and name H2')(residue 27 and name H4') 4.3  1.0  1.0
assign (residue 27 and name H2')(residue 27 and name H5') 5.0  1.0  1.0
assign (residue 27 and name H2')(residue 27 and name H5'')4.3  1.0  1.0
assign (residue 27 and name H3')(residue 27 and name H5') 4.3  0.7  0.7
assign (residue 27 and name H3')(residue 27 and name H5'')4.3  0.7  0.7
assign (residue 27 and name H4')(residue 27 and name H5') 2.5  0.7  0.7
assign (residue 27 and name H4')(residue 27 and name H5'')2.5  0.7  0.7
assign (residue 27 and name H2')(residue 28 and name H1') 5.0  1.0  1.0
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 27 and name H1')(residue 27 and name H6)  4.3  0.7  0.7
assign (residue 27 and name H2')(residue 27 and name H6)  5.0  1.0  1.0
assign (residue 27 and name H2')(residue 28 and name H5)  4.3  0.7  0.7
assign (residue 27 and name H2')(residue 28 and name H6)  2.5  0.7  0.7
assign (residue 27 and name H3')(residue 27 and name H6)  3.3  1.0  1.5
assign (residue 27 and name H3')(residue 28 and name H5)  5.0  1.0  1.0
assign (residue 27 and name H3')(residue 28 and name H6)  3.3  0.7  0.7
assign (residue 27 and name H4')(residue 28 and name H6)  4.3  1.0  1.0
{inter-base crosspeaks}
assign (residue 27 and name H5)(residue 28 and name H5)   5.0  1.5  1.5
assign (residue 27 and name H6)(residue 28 and name H5)   5.0  1.5  1.5
{ C28 }
{intra- and inter- sugar crosspeaks}
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 H3') 4.3  1.0  1.0
assign (residue 28 and name H1')(residue 28 and name H4') 3.3  0.7  0.7
assign (residue 28 and name H2')(residue 28 and name H3') 3.0  0.7  0.7
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 28 and name H1')(residue 28 and name H6)  5.0  1.0  1.0
assign (residue 28 and name H2')(residue 28 and name H6)  4.3  1.0  1.0
assign (residue 28 and name H2')(residue 29 and name H8)  2.5  0.5  0.7
assign (residue 28 and name H3')(residue 28 and name H5)  5.0  1.5  1.5
assign (residue 28 and name H3')(residue 28 and name H6)  3.0  0.8  0.8
assign (residue 28 and name H3')(residue 29 and name H8)  3.5  1.0  1.0
{inter-base crosspeaks}
{ G29 }
{intra- and inter- sugar crosspeaks}
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 29 and name H4') 4.3  0.7  0.7
assign (residue 29 and name H3')(residue 29 and name H4') 2.5  0.5  0.5
assign (residue 29 and name H3')(residue 29 and name H5') 4.0  0.7  0.7
assign (residue 29 and name H3')(residue 29 and name H5'')4.0  0.7  0.7
assign (residue 29 and name H2')(residue 29 and name H3') 3.5  1.5  1.5
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 29 and name H1')(residue 29 and name H8)  5.0  1.0  1.0
assign (residue 29 and name H2')(residue 30 and name H8)  3.0  1.0  1.0
assign (residue 29 and name H5')(residue 29 and name H8)  5.0  1.0  1.0
assign (residue 29 and name H5'')(residue 29 and name H8) 5.5  1.5  1.5
{inter-base crosspeaks}
{ G30 }
{intra- and inter- sugar crosspeaks}
assign (residue 30 and name H1')(residue 30 and name H2') 2.5  0.5  0.8
assign (residue 30 and name H1')(residue 30 and name H3') 4.3  0.7  0.7
assign (residue 30 and name H1')(residue 30 and name H4') 3.3  0.7  0.7
assign (residue 30 and name H2')(residue 30 and name H3') 3.0  1.0  1.0
assign (residue 30 and name H2')(residue 30 and name H4') 4.0  1.0  1.0
assign (residue 30 and name H3')(residue 30 and name H4') 2.7  0.7  0.7
assign (residue 30 and name H4')(residue 30 and name H5') 2.7  0.7  0.7
assign (residue 30 and name H4')(residue 30 and name H5'')2.7  0.7  0.7 
{sugar cross peaks to H2, H5, H6, and H8}
assign (residue 30 and name H1')(residue 30 and name H8)  5.0  1.0  1.0
assign (residue 30 and name H2')(residue 31 and name H8)  3.0  0.7  1.5
assign (residue 30 and name H3')(residue 30 and name H8)  4.3  1.0  1.0
assign (residue 30 and name H3')(residue 31 and name H8)  4.3  1.0  1.0
assign (residue 30 and name H5')(residue 30 and name H8)  5.0  1.0  1.0
assign (residue 30 and name H5'')(residue 30 and name H8) 5.0  1.0  1.0
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C1'   )
       ( resid 9    and name H1'   ) -2.08  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C4'   )
       ( resid 13   and name H4'   )  1.77  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C1'   )
       ( resid 20   and name H1'   )  7.61  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C4'   )
       ( resid 20   and name H4'   ) -0.24  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C3'   )
       ( resid 21   and name H3'   )  7.16  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C2'   )
       ( resid 23   and name H2'   ) -17.34 0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C3'   )
       ( resid 24   and name H3'   )  4.86  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C8    )
       ( resid 13   and name H8    )  2.46  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C6    )
       ( resid 19   and name H6    )  0.32  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C2    )
       ( resid 21   and name H2    )  6.06  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C2    )
       ( resid 23   and name H2    )  8.53  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C2    )
       ( resid 24   and name H2    ) 12.94  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 27   and name C5    )
       ( resid 27   and name H5    ) 13.12  0.5
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C2'   )
       ( resid 9    and name H2'   ) -0.83  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C1'   )
       ( resid 13   and name H1'   )  4.17  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C2'   )
       ( resid 13   and name H2'   )   4.73  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C1'   )
       ( resid 19   and name H1'   ) 10.20  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C2'   )
       ( resid 19   and name H2'   ) 11.25  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C3'   )
       ( resid 19   and name H3'   ) -15.75  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C4'   )
       ( resid 19   and name H4'   )  4.92  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C3'   )
       ( resid 20   and name H3'   )  3.19  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C1'   )
       ( resid 21   and name H1'   )  0.07  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C2'   )
       ( resid 21   and name H2'   )  1.39  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C4'   )
       ( resid 21   and name H4'   )  5.77  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C1'   )
       ( resid 22   and name H1'   ) -6.38  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C4'   )
       ( resid 22   and name H4'   ) -13.16 0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C1'   )
       ( resid 23   and name H1'   )  7.59  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C3'   )
       ( resid 23   and name H3'   )  9.08  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C1'   )
       ( resid 24   and name H1'   ) -1.54  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C2'   )
       ( resid 24   and name H2'   )  3.18  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C4'   )
       ( resid 24   and name H4'   ) -5.80  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 25   and name C2'   )
       ( resid 25   and name H2'   ) -7.17  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 25   and name C4'   )
       ( resid 25   and name H4'   )  7.58  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 26   and name C1'   )
       ( resid 26   and name H1'   ) -2.09  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 27   and name C2'   )
       ( resid 27   and name H2'   )  4.98  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C5    )
       ( resid 19   and name H5    ) 12.98  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C2    )
       ( resid 20   and name H2    ) 13.75  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C8    )
       ( resid 21   and name H8    )  6.54  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C8    )
       ( resid 23   and name H8    ) -0.75  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C8    )
       ( resid 24   and name H8    )  5.43  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 25   and name C5    )
       ( resid 25   and name H5    )  2.97  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 25   and name C6    )
       ( resid 25   and name H6    ) -2.97  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 26   and name C2    )
       ( resid 26   and name H2    )  6.96  0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 26   and name C8    )
       ( resid 26   and name H8    )  3.58  0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 27   and name C6    )
       ( resid 27   and name H6    )  1.82   0.5
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C1'   )
       ( resid 3    and name H1'   )  3.02  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C1'   )
       ( resid 5    and name H1'   ) -3.36  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C2'   )
       ( resid 7    and name H2'   ) -4.98  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C3'   )
       ( resid 8    and name H3'   ) 11.12  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C3'   )
       ( resid 10   and name H3'   )  9.40  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C1'   )
       ( resid 12   and name H1'   ) -4.56  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C3'   )
       ( resid 15   and name H3'   )  1.15  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18    and name C3'  )
       ( resid 18    and name H3'  ) -4.54  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 29   and name C1'   )
       ( resid 29   and name H1'   ) -6.99  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C8    )
       ( resid 4    and name H8    )  6.04  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C5    )
       ( resid 5    and name H5    ) -2.09  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C8    )
       ( resid 6    and name H8    ) 10.25  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C5    )
       ( resid 10   and name H5    ) -0.13  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C6    )
       ( resid 14   and name H6    )  5.06  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C2    )
       ( resid 16   and name H2    )  0.09  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 28   and name C6    )
       ( resid 28   and name H6    )  9.34   0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 29   and name C8    )
       ( resid 29   and name H8    )  7.95  0.5
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C4'   )
       ( resid 3    and name H4'   )  0.21  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C1'   )
       ( resid 4    and name H1'   ) -6.20  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C1'   )
       ( resid 6    and name H1'   )  3.06  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C1'   )
       ( resid 7    and name H1'   )  5.92  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C1'   )
       ( resid 8    and name H1'   )  9.68  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C2'   )
       ( resid 8    and name H2'   ) -1.01  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C1'   )
       ( resid 10   and name H1'   ) -12.87 0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C1'   )
       ( resid 11   and name H1'   ) -14.23 0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C2'   )
       ( resid 12   and name H2'   ) -0.86  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C1'   )
       ( resid 14   and name H1'   ) -2.92  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C2'   )
       ( resid 15   and name H2'   ) -10.68 0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C2'   )
       ( resid 16   and name H2'   )  7.02  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C3'   )
       ( resid 16   and name H3'   )  5.71  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C1'   )
       ( resid 17   and name H1'   )  9.32  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C1'   )
       ( resid 18   and name H1'   ) 10.78  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C2'   )
       ( resid 18   and name H2'   )  5.23  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 27   and name C2'   )
       ( resid 27   and name H2'   )  4.98  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 28   and name C1'   )
       ( resid 28   and name H1'   ) -3.59  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 30   and name C1'   )
       ( resid 30   and name H1'   ) -6.99  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C8    )
       ( resid 3    and name H8    ) -5.62  0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C6    )
       ( resid 5    and name H6    )  9.69  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C8    )
       ( resid 7    and name H8    )  2.80  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C5    )
       ( resid 8    and name H5    )  8.26  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C6    )
       ( resid 8    and name H6    )  1.95  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C5    )
       ( resid 11   and name H5    ) -1.85  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C6    )
       ( resid 11   and name H6    ) -4.71  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C8    )
       ( resid 12   and name H8    ) 10.59  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C5    )
       ( resid 14   and name H5    )  4.37  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C5    )
       ( resid 15   and name H5    )  1.67  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C6    )
       ( resid 15   and name H6    )  5.86  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C8    )
       ( resid 16   and name H8    )  8.90   0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C5    )
       ( resid 17   and name H5    )  5.08   0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C6    )
       ( resid 17   and name H6    )  7.06  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C5    )
       ( resid 18   and name H5    )  6.84  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C6    )
       ( resid 18   and name H6    )  1.40  0.5

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 27   and name C5    )
       ( resid 27   and name H5    ) 13.12  0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 27   and name C6    )
       ( resid 27   and name H6    )  1.82   0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 28   and name C5    )
       ( resid 28   and name H5    )  3.20   0.5
                                                                                
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 30   and name C8    )
       ( resid 30   and name H8    )  8.51  0.5
{       G6      }
assign (residue 6 and name N2)(residue 7 and name H1')    4.0  0.7  0.7
assign (residue 6 and name N2)(residue 16 and name H1')   4.0  0.7  0.7
{       G7      }
assign (residue 7 and name N2)(residue 15 and name H1')   5.0  1.0  1.0
{ C14 }
assign (residue 14 and name N4)(residue 8 and name H41)   5.0  1.5  1.5
assign (residue 14 and name N4)(residue 8 and name H42)   5.0  1.5  1.5
assign (residue 14 and name N4)(residue 15 and name H41)  5.0  1.5  1.5
assign (residue 14 and name N4)(residue 15 and name H42)  5.0  1.5  1.5
{       A20     }
{ A21 }
assign (residue 16 and name H2 )(residue 21 and name N6)  5.0  1.0  1.0
assign (residue 17 and name H1')(residue 21 and name N6)  3.7  0.8  0.8
assign (residue 20 and name H2 )(residue 21 and name N6)  3.2  0.8  0.8
{ A22 }
assign (residue 22 and name N6)(residue 6 and name H21)   4.3  1.5  1.5
assign (residue 22 and name N6)(residue 6 and name H22)   4.3  1.5  1.5
assign (residue 22 and name N6)(residue 16 and name H1')  3.7  1.0  1.0
assign (residue 22 and name N6)(residue 16 and name H2)   3.5  1.5  1.5
assign (residue 22 and name N6)(residue 22 and name H2)   3.0  1.0  1.0
{ A24 }
assign (residue 24 and name N6)(residue 6 and name H21)   4.3  1.5  1.5
assign (residue 24 and name N6)(residue 6 and name H22)   4.3  1.5  1.5
assign (residue 24 and name N6)(residue 7 and name H1')   5.0  1.5  2.0
assign (residue 24 and name N6)(residue 15 and name H1')  4.3  1.5  1.5
assign (residue 24 and name N6)(residue 16 and name H1')  4.3  1.5  1.5
assign (residue 24 and name N6)(residue 23 and name H2)   3.3  1.0  1.0
{ A26 }
assign (residue 26 and name N6)(residue 7 and name H1')   3.5  1.0  1.0
{ C27 }
assign (residue 27 and name N4)(residue 7 and name H21)   4.0  1.0  1.0 
assign (residue 27 and name N4)(residue 7 and name H22)   4.0  1.0  1.0
assign (residue 27 and name N4)(residue 14 and name H1')  5.0  1.0  1.0
assign (residue 27 and name N4)(residue 26 and name H2)   4.0  1.0  1.0
assign (residue 27 and name N4)(residue 28 and name H5)   5.0  1.0  1.0
assign (residue 27 and name N4)(residue 14 and name HO2') 3.8  0.8  0.8
assign (residue 27 and name N4)(residue 12 and name H1)   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
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          1H5*        A   3  26.300  -4.832  26.432
    2   2H5*    A   3          2H5*        A   3  24.611  -5.031  27.004
    3    H4*    A   3           H4*        A   3  24.522  -3.280  25.422
    4    H3*    A   3           H3*        A   3  23.993  -5.671  23.522
    5    H2*    A   3           H2*        A   3  23.551  -4.033  21.903
    6   2HO*    A   3          2HO*        A   3  23.085  -1.969  22.333
    7    H1*    A   3           H1*        A   3  25.938  -2.625  22.484
    8    H8     A   3           H8         A   3  27.304  -5.620  22.688
    9   1H6     A   3          1H6         A   3  28.179  -6.394  17.968
   10   2H6     A   3          2H6         A   3  27.433  -5.760  16.490
   11    H2     A   3           H2         A   3  24.164  -2.977  17.837
   12   1H5*    G   4          1H5*        G   4  21.012  -4.400  23.175
   13   2H5*    G   4          2H5*        G   4  19.325  -4.894  23.444
   14    H4*    G   4           H4*        G   4  19.497  -4.513  21.145
   15    H3*    G   4           H3*        G   4  20.513  -7.510  21.051
   16    H2*    G   4           H2*        G   4  20.476  -7.282  18.673
   17   2HO*    G   4          2HO*        G   4  19.619  -5.427  17.703
   18    H1*    G   4           H1*        G   4  21.577  -4.750  18.740
   19    H8     G   4           H8         G   4  23.759  -6.435  21.048
   20    H1     G   4           H1         G   4  24.760  -7.256  14.729
   21   1H2     G   4          1H2         G   4  21.300  -6.177  14.796
   22   2H2     G   4          2H2         G   4  22.649  -6.671  13.815
   23   1H5*    U   5          1H5*        U   5  16.832  -7.617  18.952
   24   2H5*    U   5          2H5*        U   5  15.759  -8.994  19.257
   25    H4*    U   5           H4*        U   5  16.137  -8.729  16.850
   26    H3*    U   5           H3*        U   5  17.840 -11.127  17.759
   27    H2*    U   5           H2*        U   5  18.184 -11.466  15.411
   28   2HO*    U   5          2HO*        U   5  15.979  -9.771  15.239
   29    H1*    U   5           H1*        U   5  18.728  -8.907  14.902
   30    H3     U   5           H3         U   5  22.920 -10.102  14.610
   31    H5     U   5           H5         U   5  22.307  -9.447  18.726
   32    H6     U   5           H6         U   5  19.886  -9.378  18.286
   33   1H5*    G   6          1H5*        G   6  15.315 -12.529  15.286
   34   2H5*    G   6          2H5*        G   6  14.660 -14.178  15.197
   35    H4*    G   6           H4*        G   6  16.168 -13.794  13.463
   36    H3*    G   6           H3*        G   6  17.263 -15.601  15.562
   37    H2*    G   6           H2*        G   6  19.092 -16.031  14.070
   38   2HO*    G   6          2HO*        G   6  17.215 -15.204  12.196
   39    H1*    G   6           H1*        G   6  19.239 -13.473  13.128
   40    H8     G   6           H8         G   6  19.144 -13.163  16.907
   41    H1     G   6           H1         G   6  25.010 -13.480  14.429
   42   1H2     G   6          1H2         G   6  23.405 -14.826  11.557
   43   2H2     G   6          2H2         G   6  24.905 -14.332  12.310
   44   1H5*    G   7          1H5*        G   7  18.572 -19.958  14.020
   45   2H5*    G   7          2H5*        G   7  18.344 -18.925  15.460
   46    H4*    G   7           H4*        G   7  20.132 -18.016  13.210
   47    H3*    G   7           H3*        G   7  20.561 -20.452  14.824
   48    H2*    G   7           H2*        G   7  22.282 -19.669  16.004
   49   2HO*    G   7          2HO*        G   7  23.171 -19.413  13.427
   50    H1*    G   7           H1*        G   7  22.415 -17.162  14.676
   51    H8     G   7           H8         G   7  20.508 -16.604  17.783
   52    H1     G   7           H1         G   7  26.802 -15.162  17.976
   53   1H2     G   7          1H2         G   7  26.803 -17.335  15.074
   54   2H2     G   7          2H2         G   7  27.736 -16.313  16.139
   55   1H5*   CH   8          1H5*       CH   8  23.357 -23.867  13.291
   56   2H5*   CH   8          2H5*       CH   8  22.751 -22.759  14.573
   57    H4*   CH   8           H4*       CH   8  25.506 -22.483  13.170
   58    H3*   CH   8           H3*       CH   8  24.869 -23.164  16.248
   59    H2*   CH   8           H2*       CH   8  27.162 -22.388  16.458
   60   2HO*   CH   8          2HO*       CH   8  28.377 -21.767  14.491
   61    H1*   CH   8           H1*       CH   8  26.981 -20.673  14.567
   62    HN3   CH   8           HN3       CH   8  28.724 -18.553  17.990
   63   1H4    CH   8          1H4        CH   8  26.256 -17.139  20.036
   64   2H4    CH   8          2H4        CH   8  27.959 -17.085  19.793
   65    H5    CH   8           H5        CH   8  24.619 -18.609  18.964
   66    H6    CH   8           H6        CH   8  24.271 -20.163  17.015
   67   1H5*    G   9          1H5*        G   9  23.001 -26.699  17.277
   68   2H5*    G   9          2H5*        G   9  22.103 -25.175  17.497
   69    H4*    G   9           H4*        G   9  22.795 -26.214  19.651
   70    H3*    G   9           H3*        G   9  23.139 -23.562  18.914
   71    H2*    G   9           H2*        G   9  25.354 -23.509  18.542
   72   2HO*    G   9          2HO*        G   9  24.815 -22.983  21.131
   73    H1*    G   9           H1*        G   9  25.964 -25.551  20.682
   74    H8     G   9           H8         G   9  26.728 -24.454  17.083
   75    H1     G   9           H1         G   9  31.421 -27.716  19.884
   76   1H2     G   9          1H2         G   9  30.749 -28.457  21.863
   77   2H2     G   9          2H2         G   9  29.146 -28.146  22.488
   78   1H5*    C  10          1H5*        C  10  22.947 -23.960  23.702
   79   2H5*    C  10          2H5*        C  10  21.973 -22.663  24.369
   80    H4*    C  10           H4*        C  10  23.884 -22.763  25.880
   81    H3*    C  10           H3*        C  10  25.299 -20.966  23.824
   82    H2*    C  10           H2*        C  10  26.902 -20.787  25.322
   83   2HO*    C  10          2HO*        C  10  26.737 -21.671  27.354
   84    H1*    C  10           H1*        C  10  26.908 -23.548  25.665
   85   1H4     C  10          1H4         C  10  30.012 -24.371  20.135
   86   2H4     C  10          2H4         C  10  31.282 -23.932  21.273
   87    H5     C  10           H5         C  10  27.669 -24.071  20.599
   88    H6     C  10           H6         C  10  26.055 -23.702  22.199
   89   1H5*    C  11          1H5*        C  11  24.102 -16.133  26.825
   90   2H5*    C  11          2H5*        C  11  23.921 -17.052  25.293
   91    H4*    C  11           H4*        C  11  26.234 -17.588  27.209
   92    H3*    C  11           H3*        C  11  26.383 -15.195  25.291
   93    H2*    C  11           H2*        C  11  28.397 -15.930  24.522
   94   2HO*    C  11          2HO*        C  11  29.908 -16.931  25.974
   95    H1*    C  11           H1*        C  11  28.255 -18.569  25.758
   96   1H4     C  11          1H4         C  11  28.991 -20.992  20.068
   97   2H4     C  11          2H4         C  11  30.563 -20.638  20.608
   98    H5     C  11           H5         C  11  26.912 -20.077  21.133
   99    H6     C  11           H6         C  11  26.224 -18.691  22.884
  100   1H5*    G  12          1H5*        G  12  27.669 -10.920  26.506
  101   2H5*    G  12          2H5*        G  12  26.817 -12.218  25.565
  102    H4*    G  12           H4*        G  12  29.846 -12.220  26.277
  103    H3*    G  12           H3*        G  12  28.954 -10.802  23.641
  104    H2*    G  12           H2*        G  12  30.560 -11.851  22.558
  105   2HO*    G  12          2HO*        G  12  31.847 -11.774  24.992
  106    H1*    G  12           H1*        G  12  31.007 -13.954  23.903
  107    H8     G  12           H8         G  12  27.517 -14.543  22.950
  108    H1     G  12           H1         G  12  31.932 -16.909  19.160
  109   1H2     G  12          1H2         G  12  34.210 -14.878  20.927
  110   2H2     G  12          2H2         G  12  33.990 -16.069  19.654
  111   1H5*    A  13          1H5*        A  13  33.745 -11.650  22.866
  112   2H5*    A  13          2H5*        A  13  34.283  -9.973  22.822
  113    H4*    A  13           H4*        A  13  34.119 -11.371  20.524
  114    H3*    A  13           H3*        A  13  33.808  -8.583  20.832
  115    H2*    A  13           H2*        A  13  31.633  -8.282  20.413
  116   2HO*    A  13          2HO*        A  13  31.093  -8.386  18.162
  117    H1*    A  13           H1*        A  13  31.001 -10.738  18.932
  118    H8     A  13           H8         A  13  30.554  -8.810  22.320
  119   1H6     A  13          1H6         A  13  24.551  -9.716  21.803
  120   2H6     A  13          2H6         A  13  25.833  -9.033  22.777
  121    H2     A  13           H2         A  13  26.500 -11.652  18.284
  122   1H5*    C  14          1H5*        C  14  34.530 -13.583  19.430
  123   2H5*    C  14          2H5*        C  14  35.614 -12.868  18.253
  124    H4*    C  14           H4*        C  14  34.934 -14.928  17.268
  125    H3*    C  14           H3*        C  14  33.272 -12.710  16.107
  126    H2*    C  14           H2*        C  14  31.499 -14.159  15.475
  127   2HO*    C  14          2HO*        C  14  33.489 -15.791  14.974
  128    H1*    C  14           H1*        C  14  31.698 -16.123  17.127
  129   1H4     C  14          1H4         C  14  27.719 -12.848  20.784
  130   2H4     C  14          2H4         C  14  26.766 -13.881  19.735
  131    H5     C  14           H5         C  14  30.116 -12.517  20.358
  132    H6     C  14           H6         C  14  31.961 -13.141  18.899
  133   1H5*    C  15          1H5*        C  15  33.926 -13.937  11.187
  134   2H5*    C  15          2H5*        C  15  33.226 -12.359  10.954
  135    H4*    C  15           H4*        C  15  32.062 -14.894  10.375
  136    H3*    C  15           H3*        C  15  30.773 -12.186  10.665
  137    H2*    C  15           H2*        C  15  28.679 -13.240  10.209
  138   2HO*    C  15          2HO*        C  15  29.953 -14.963   8.863
  139    H1*    C  15           H1*        C  15  29.064 -15.509  11.702
  140   1H4     C  15          1H4         C  15  27.549 -12.080  16.917
  141   2H4     C  15          2H4         C  15  25.989 -12.551  16.293
  142    H5     C  15           H5         C  15  29.483 -12.321  15.891
  143    H6     C  15           H6         C  15  30.683 -12.952  13.829
  144   1H5*    A  16          1H5*        A  16  29.381 -13.210   7.115
  145   2H5*    A  16          2H5*        A  16  29.398 -12.038   5.873
  146    H4*    A  16           H4*        A  16  27.108 -12.596   6.254
  147    H3*    A  16           H3*        A  16  27.700  -9.875   7.467
  148    H2*    A  16           H2*        A  16  25.370  -9.980   8.479
  149   2HO*    A  16          2HO*        A  16  25.038 -11.819   6.278
  150    H1*    A  16           H1*        A  16  25.220 -12.414   8.918
  151    H8     A  16           H8         A  16  28.579 -11.048  10.219
  152   1H6     A  16          1H6         A  16  26.948 -10.284  14.762
  153   2H6     A  16          2H6         A  16  25.319 -10.100  15.434
  154    H2     A  16           H2         A  16  22.465 -10.654  12.086
  155   1H5*    C  17          1H5*        C  17  24.481  -9.341   5.988
  156   2H5*    C  17          2H5*        C  17  24.110  -7.792   5.224
  157    H4*    C  17           H4*        C  17  22.628  -8.185   7.103
  158    H3*    C  17           H3*        C  17  24.656  -5.992   7.611
  159    H2*    C  17           H2*        C  17  23.463  -5.501   9.596
  160   2HO*    C  17          2HO*        C  17  21.441  -6.601   9.999
  161    H1*    C  17           H1*        C  17  22.807  -8.051  10.145
  162   1H4     C  17          1H4         C  17  28.146  -8.391  13.737
  163   2H4     C  17          2H4         C  17  26.833  -7.895  14.745
  164    H5     C  17           H5         C  17  27.959  -8.416  11.070
  165    H6     C  17           H6         C  17  26.347  -8.187   9.340
  166   1H5*    U  18          1H5*        U  18  21.238  -1.974   8.472
  167   2H5*    U  18          2H5*        U  18  22.997  -1.980   8.481
  168    H4*    U  18           H4*        U  18  21.105  -2.999  10.625
  169    H3*    U  18           H3*        U  18  22.384  -0.429  10.400
  170    H2*    U  18           H2*        U  18  24.111  -0.994  12.136
  171   2HO*    U  18          2HO*        U  18  21.564  -0.753  13.158
  172    H1*    U  18           H1*        U  18  22.417  -3.114  12.943
  173    H3     U  18           H3         U  18  25.625  -4.209  15.818
  174    H5     U  18           H5         U  18  26.892  -5.236  11.951
  175    H6     U  18           H6         U  18  25.261  -3.845  11.049
  176   1H5*    U  19          1H5*        U  19  18.150  -1.739  11.608
  177   2H5*    U  19          2H5*        U  19  16.976  -0.502  11.121
  178    H4*    U  19           H4*        U  19  16.189  -1.655  13.257
  179    H3*    U  19           H3*        U  19  16.055   1.138  13.210
  180    H2*    U  19           H2*        U  19  18.521   1.294  14.158
  181   2HO*    U  19          2HO*        U  19  17.010   2.739  15.194
  182    H1*    U  19           H1*        U  19  17.287  -0.537  16.163
  183    H3     U  19           H3         U  19  20.798  -0.375  18.980
  184    H5     U  19           H5         U  19  22.581   0.199  15.189
  185    H6     U  19           H6         U  19  20.432   0.090  14.234
  186   1H5*    A  20          1H5*        A  20  14.026  -0.513  11.417
  187   2H5*    A  20          2H5*        A  20  12.401  -1.085  11.826
  188    H4*    A  20           H4*        A  20  13.743  -2.456  10.069
  189    H3*    A  20           H3*        A  20  11.947  -3.288  11.988
  190    H2*    A  20           H2*        A  20  13.262  -4.692  13.315
  191   2HO*    A  20          2HO*        A  20  14.013  -6.651  12.081
  192    H1*    A  20           H1*        A  20  15.427  -5.007  11.234
  193    H8     A  20           H8         A  20  14.633  -4.144  14.944
  194   1H6     A  20          1H6         A  20  20.619  -4.892  16.039
  195   2H6     A  20          2H6         A  20  19.045  -4.651  16.759
  196    H2     A  20           H2         A  20  20.044  -5.010  11.620
  197   1H5*    A  21          1H5*        A  21  11.234  -7.292   9.688
  198   2H5*    A  21          2H5*        A  21  12.503  -6.625  10.740
  199    H4*    A  21           H4*        A  21  12.875  -9.010   8.856
  200    H3*    A  21           H3*        A  21  11.996  -8.894  11.740
  201    H2*    A  21           H2*        A  21  13.828 -10.001  12.599
  202   2HO*    A  21          2HO*        A  21  14.164 -11.505  10.262
  203    H1*    A  21           H1*        A  21  15.510 -10.152  10.414
  204    H8     A  21           H8         A  21  14.813  -8.332  13.645
  205   1H6     A  21          1H6         A  21  20.908  -7.148  13.424
  206   2H6     A  21          2H6         A  21  19.540  -7.291  14.505
  207    H2     A  21           H2         A  21  19.420  -8.156   9.295
  208   1H5*    A  22          1H5*        A  22  12.399 -14.333   8.474
  209   2H5*    A  22          2H5*        A  22  13.834 -14.355   9.503
  210    H4*    A  22           H4*        A  22  13.419 -12.536   7.056
  211    H3*    A  22           H3*        A  22  14.952 -15.041   7.721
  212    H2*    A  22           H2*        A  22  16.966 -14.112   7.765
  213   2HO*    A  22          2HO*        A  22  17.631 -12.939   5.778
  214    H1*    A  22           H1*        A  22  16.128 -11.451   6.753
  215    H8     A  22           H8         A  22  16.492 -12.166  10.444
  216   1H6     A  22          1H6         A  22  21.010 -10.502  11.079
  217   2H6     A  22          2H6         A  22  22.214  -9.917   9.953
  218    H2     A  22           H2         A  22  20.594 -10.170   5.989
  219   1H5*    A  23          1H5*        A  23  17.075 -14.604   3.912
  220   2H5*    A  23          2H5*        A  23  16.667 -16.138   3.127
  221    H4*    A  23           H4*        A  23  18.978 -16.111   2.973
  222    H3*    A  23           H3*        A  23  18.539 -17.408   5.749
  223    H2*    A  23           H2*        A  23  21.091 -17.868   5.629
  224   2HO*    A  23          2HO*        A  23  21.314 -18.239   3.544
  225    H1*    A  23           H1*        A  23  21.569 -15.266   4.819
  226    H8     A  23           H8         A  23  18.681 -15.453   7.438
  227   1H6     A  23          1H6         A  23  21.205 -13.727  11.148
  228   2H6     A  23          2H6         A  23  22.869 -13.240  11.336
  229    H2     A  23           H2         A  23  24.910 -14.084   7.381
  230   1H5*    A  24          1H5*        A  24  21.763 -21.476   4.078
  231   2H5*    A  24          2H5*        A  24  20.648 -22.160   5.279
  232    H4*    A  24           H4*        A  24  23.195 -22.101   5.964
  233    H3*    A  24           H3*        A  24  20.972 -21.591   7.780
  234    H2*    A  24           H2*        A  24  22.210 -20.224   8.997
  235   2HO*    A  24          2HO*        A  24  23.289 -21.557  10.219
  236    H1*    A  24           H1*        A  24  24.710 -20.594   7.362
  237    H8     A  24           H8         A  24  22.314 -18.031   9.098
  238   1H6     A  24          1H6         A  24  27.438 -14.722   9.775
  239   2H6     A  24          2H6         A  24  25.768 -14.891  10.263
  240    H2     A  24           H2         A  24  28.214 -17.871   6.719
  241   1H5*    C  25          1H5*        C  25  19.679 -25.515   8.157
  242   2H5*    C  25          2H5*        C  25  20.590 -24.170   8.859
  243    H4*    C  25           H4*        C  25  20.374 -25.492  10.723
  244    H3*    C  25           H3*        C  25  22.708 -26.776   9.277
  245    H2*    C  25           H2*        C  25  22.755 -28.307  11.112
  246   2HO*    C  25          2HO*        C  25  22.722 -26.816  12.772
  247    H1*    C  25           H1*        C  25  20.027 -28.318  11.578
  248   1H4     C  25          1H4         C  25  21.291 -33.234   7.344
  249   2H4     C  25          2H4         C  25  20.972 -33.987   8.891
  250    H5     C  25           H5         C  25  21.262 -30.821   7.023
  251    H6     C  25           H6         C  25  21.376 -28.684   8.187
  252   1H5*    A  26          1H5*        A  26  27.154 -25.492  11.471
  253   2H5*    A  26          2H5*        A  26  26.713 -23.865  11.952
  254    H4*    A  26           H4*        A  26  27.968 -24.800   9.369
  255    H3*    A  26           H3*        A  26  28.769 -23.125  11.692
  256    H2*    A  26           H2*        A  26  29.584 -21.350  10.495
  257   2HO*    A  26          2HO*        A  26  30.974 -22.383   9.128
  258    H1*    A  26           H1*        A  26  27.893 -21.251   8.368
  259    H8     A  26           H8         A  26  25.472 -21.833  11.042
  260   1H6     A  26          1H6         A  26  25.579 -17.601  13.412
  261   2H6     A  26          2H6         A  26  26.601 -16.189  13.269
  262    H2     A  26           H2         A  26  29.690 -17.132  10.136
  263   1H5*    C  27          1H5*        C  27  32.689 -24.326  10.201
  264   2H5*    C  27          2H5*        C  27  33.741 -25.219  11.310
  265    H4*    C  27           H4*        C  27  34.884 -23.185  10.505
  266    H3*    C  27           H3*        C  27  34.054 -22.487  13.299
  267    H2*    C  27           H2*        C  27  35.299 -20.543  12.996
  268   2HO*    C  27          2HO*        C  27  36.355 -21.733  10.623
  269    H1*    C  27           H1*        C  27  34.629 -20.302  10.239
  270   1H4     C  27          1H4         C  27  31.575 -15.651  13.184
  271   2H4     C  27          2H4         C  27  30.309 -16.749  13.688
  272    H5     C  27           H5         C  27  30.500 -19.027  13.554
  273    H6     C  27           H6         C  27  31.538 -20.913  12.225
  274   1H5*    C  28          1H5*        C  28  37.827 -20.885  13.553
  275   2H5*    C  28          2H5*        C  28  38.564 -21.816  14.871
  276    H4*    C  28           H4*        C  28  38.706 -19.345  15.214
  277    H3*    C  28           H3*        C  28  37.241 -21.143  17.098
  278    H2*    C  28           H2*        C  28  36.420 -19.430  18.381
  279   2HO*    C  28          2HO*        C  28  38.367 -18.479  18.905
  280    H1*    C  28           H1*        C  28  36.339 -17.343  16.443
  281   1H4     C  28          1H4         C  28  30.360 -20.018  17.451
  282   2H4     C  28          2H4         C  28  30.497 -18.686  18.585
  283    H5     C  28           H5         C  28  32.091 -20.780  16.103
  284    H6     C  28           H6         C  28  34.391 -20.292  15.143
  285   1H5*    G  29          1H5*        G  29  40.995 -19.948  19.255
  286   2H5*    G  29          2H5*        G  29  41.828 -21.095  20.322
  287    H4*    G  29           H4*        G  29  40.663 -19.140  21.477
  288    H3*    G  29           H3*        G  29  39.366 -21.804  22.137
  289    H2*    G  29           H2*        G  29  37.952 -20.645  23.643
  290   2HO*    G  29          2HO*        G  29  40.006 -18.810  23.568
  291    H1*    G  29           H1*        G  29  37.496 -18.508  21.863
  292    H8     G  29           H8         G  29  37.336 -21.485  19.525
  293    H1     G  29           H1         G  29  31.660 -19.713  21.993
  294   1H2     G  29          1H2         G  29  33.774 -18.046  24.481
  295   2H2     G  29          2H2         G  29  32.146 -18.378  23.936
  296   1H5*    G  30          1H5*        G  30  41.114 -20.695  25.617
  297   2H5*    G  30          2H5*        G  30  41.367 -21.796  26.985
  298    H4*    G  30           H4*        G  30  39.167 -20.424  26.798
  299    H3*    G  30           H3*        G  30  39.193 -23.419  27.224
  300    H2*    G  30           H2*        G  30  36.863 -23.466  27.161
  301   2HO*    G  30          2HO*        G  30  35.647 -21.528  27.657
  302    H1*    G  30           H1*        G  30  36.635 -20.934  25.769
  303    H8     G  30           H8         G  30  37.884 -23.187  22.993
  304    H1     G  30           H1         G  30  31.553 -23.064  23.583
  305   1H2     G  30          1H2         G  30  32.065 -21.853  26.825
  306   2H2     G  30          2H2         G  30  30.925 -22.317  25.578
  Start of MODEL    2
    1   1H5*    A   3          1H5*        A   3  22.314  -3.293  21.280
    2   2H5*    A   3          2H5*        A   3  22.074  -1.565  21.794
    3    H4*    A   3           H4*        A   3  20.884  -2.821  23.459
    4    H3*    A   3           H3*        A   3  23.264  -2.459  25.019
    5    H2*    A   3           H2*        A   3  24.602  -4.162  24.286
    6   2HO*    A   3          2HO*        A   3  24.321  -6.053  25.374
    7    H1*    A   3           H1*        A   3  22.604  -6.015  23.430
    8    H8     A   3           H8         A   3  25.509  -6.387  23.307
    9   1H6     A   3          1H6         A   3  27.133  -6.512  18.764
   10   2H6     A   3          2H6         A   3  26.586  -5.747  17.258
   11    H2     A   3           H2         A   3  22.898  -3.404  18.339
   12   1H5*    G   4          1H5*        G   4  19.282  -7.392  24.470
   13   2H5*    G   4          2H5*        G   4  21.087  -7.192  24.504
   14    H4*    G   4           H4*        G   4  19.305  -5.824  22.400
   15    H3*    G   4           H3*        G   4  19.848  -8.869  21.595
   16    H2*    G   4           H2*        G   4  20.050  -8.118  19.384
   17   2HO*    G   4          2HO*        G   4  18.416  -6.022  20.356
   18    H1*    G   4           H1*        G   4  21.224  -5.658  19.930
   19    H8     G   4           H8         G   4  23.286  -7.591  21.968
   20    H1     G   4           H1         G   4  24.565  -7.579  15.627
   21   1H2     G   4          1H2         G   4  21.168  -6.521  15.583
   22   2H2     G   4          2H2         G   4  22.602  -6.896  14.664
   23   1H5*    U   5          1H5*        U   5  16.423  -8.233  19.685
   24   2H5*    U   5          2H5*        U   5  15.240  -9.539  19.584
   25    H4*    U   5           H4*        U   5  16.086  -8.879  17.374
   26    H3*    U   5           H3*        U   5  17.334 -11.629  17.968
   27    H2*    U   5           H2*        U   5  17.745 -11.420  15.528
   28   2HO*    U   5          2HO*        U   5  16.987  -9.703  14.501
   29    H1*    U   5           H1*        U   5  18.682  -9.006  15.792
   30    H3     U   5           H3         U   5  22.687 -10.545  15.092
   31    H5     U   5           H5         U   5  22.068 -10.487  19.314
   32    H6     U   5           H6         U   5  19.707 -10.231  18.875
   33   1H5*    G   6          1H5*        G   6  16.695 -13.508  13.382
   34   2H5*    G   6          2H5*        G   6  15.757 -14.667  14.427
   35    H4*    G   6           H4*        G   6  17.822 -15.487  14.075
   36    H3*    G   6           H3*        G   6  16.933 -14.562  16.730
   37    H2*    G   6           H2*        G   6  18.709 -13.132  16.504
   38   2HO*    G   6          2HO*        G   6  18.821 -13.515  18.416
   39    H1*    G   6           H1*        G   6  20.193 -15.242  14.990
   40    H8     G   6           H8         G   6  20.868 -13.170  17.932
   41    H1     G   6           H1         G   6  25.988 -13.552  14.205
   42   1H2     G   6          1H2         G   6  23.815 -14.451  11.588
   43   2H2     G   6          2H2         G   6  25.464 -14.120  12.098
   44   1H5*    G   7          1H5*        G   7  19.748 -19.264  16.829
   45   2H5*    G   7          2H5*        G   7  19.310 -17.539  16.915
   46    H4*    G   7           H4*        G   7  19.951 -17.848  14.259
   47    H3*    G   7           H3*        G   7  21.193 -20.133  15.418
   48    H2*    G   7           H2*        G   7  22.929 -19.196  16.450
   49   2HO*    G   7          2HO*        G   7  24.516 -18.153  14.807
   50    H1*    G   7           H1*        G   7  23.098 -16.798  14.904
   51    H8     G   7           H8         G   7  21.483 -15.842  18.063
   52    H1     G   7           H1         G   7  27.896 -14.850  17.773
   53   1H2     G   7          1H2         G   7  27.611 -17.215  15.077
   54   2H2     G   7          2H2         G   7  28.642 -16.169  16.027
   55   1H5*   CH   8          1H5*       CH   8  23.961 -23.034  13.032
   56   2H5*   CH   8          2H5*       CH   8  23.720 -22.475  14.723
   57    H4*   CH   8           H4*       CH   8  26.257 -22.051  12.966
   58    H3*   CH   8           H3*       CH   8  25.731 -22.870  16.018
   59    H2*   CH   8           H2*       CH   8  28.052 -22.195  16.269
   60   2HO*   CH   8          2HO*       CH   8  29.302 -21.594  14.256
   61    H1*   CH   8           H1*       CH   8  27.993 -20.404  14.390
   62    HN3   CH   8           HN3       CH   8  29.870 -18.238  17.701
   63   1H4    CH   8          1H4        CH   8  27.443 -16.842  19.798
   64   2H4    CH   8          2H4        CH   8  29.137 -16.758  19.498
   65    H5    CH   8           H5        CH   8  25.833 -18.323  18.849
   66    H6    CH   8           H6        CH   8  25.399 -19.856  16.925
   67   1H5*    G   9          1H5*        G   9  23.816 -25.914  16.525
   68   2H5*    G   9          2H5*        G   9  24.139 -24.592  15.383
   69    H4*    G   9           H4*        G   9  23.598 -22.982  17.190
   70    H3*    G   9           H3*        G   9  24.267 -25.072  18.915
   71    H2*    G   9           H2*        G   9  22.319 -26.221  18.651
   72   2HO*    G   9          2HO*        G   9  20.868 -25.718  20.377
   73    H1*    G   9           H1*        G   9  20.600 -23.788  18.386
   74    H8     G   9           H8         G   9  20.224 -25.542  15.434
   75    H1     G   9           H1         G   9  17.263 -28.974  19.920
   76   1H2     G   9          1H2         G   9  17.925 -28.323  21.935
   77   2H2     G   9          2H2         G   9  19.094 -27.043  22.170
   78   1H5*    C  10          1H5*        C  10  20.833 -22.597  22.287
   79   2H5*    C  10          2H5*        C  10  20.808 -20.772  22.332
   80    H4*    C  10           H4*        C  10  21.640 -21.782  24.524
   81    H3*    C  10           H3*        C  10  23.782 -20.119  23.027
   82    H2*    C  10           H2*        C  10  25.214 -20.442  24.668
   83   2HO*    C  10          2HO*        C  10  24.701 -21.259  26.614
   84    H1*    C  10           H1*        C  10  24.921 -23.089  24.694
   85   1H4     C  10          1H4         C  10  27.860 -23.492  18.994
   86   2H4     C  10          2H4         C  10  29.173 -23.090  20.096
   87    H5     C  10           H5         C  10  25.534 -23.305  19.582
   88    H6     C  10           H6         C  10  23.992 -23.032  21.313
   89   1H5*    C  11          1H5*        C  11  23.846 -15.624  26.859
   90   2H5*    C  11          2H5*        C  11  23.636 -15.332  25.125
   91    H4*    C  11           H4*        C  11  26.049 -16.474  26.698
   92    H3*    C  11           H3*        C  11  26.379 -14.987  23.997
   93    H2*    C  11           H2*        C  11  28.527 -15.723  24.198
   94   2HO*    C  11          2HO*        C  11  27.927 -15.792  26.918
   95    H1*    C  11           H1*        C  11  27.845 -18.161  25.348
   96   1H4     C  11          1H4         C  11  28.063 -20.374  19.474
   97   2H4     C  11          2H4         C  11  29.685 -20.146  19.929
   98    H5     C  11           H5         C  11  26.125 -19.440  20.723
   99    H6     C  11           H6         C  11  25.619 -18.066  22.558
  100   1H5*    G  12          1H5*        G  12  28.661 -12.561  26.415
  101   2H5*    G  12          2H5*        G  12  28.589 -10.788  26.206
  102    H4*    G  12           H4*        G  12  30.887 -11.700  25.792
  103    H3*    G  12           H3*        G  12  29.599 -10.914  23.097
  104    H2*    G  12           H2*        G  12  31.545 -11.416  22.129
  105   2HO*    G  12          2HO*        G  12  32.610 -11.135  24.689
  106    H1*    G  12           H1*        G  12  32.193 -13.507  23.490
  107    H8     G  12           H8         G  12  28.684 -14.216  22.601
  108    H1     G  12           H1         G  12  33.047 -16.519  18.743
  109   1H2     G  12          1H2         G  12  35.364 -14.412  20.387
  110   2H2     G  12          2H2         G  12  35.118 -15.634  19.147
  111   1H5*    A  13          1H5*        A  13  33.410  -7.647  21.275
  112   2H5*    A  13          2H5*        A  13  32.472  -8.826  20.348
  113    H4*    A  13           H4*        A  13  34.678  -9.137  19.600
  114    H3*    A  13           H3*        A  13  33.513 -11.182  21.178
  115    H2*    A  13           H2*        A  13  35.084 -11.650  22.729
  116   2HO*    A  13          2HO*        A  13  36.106 -12.461  20.397
  117    H1*    A  13           H1*        A  13  37.326 -10.132  21.796
  118    H8     A  13           H8         A  13  34.364  -9.914  24.355
  119   1H6     A  13          1H6         A  13  38.733  -8.362  28.380
  120   2H6     A  13          2H6         A  13  37.033  -8.722  28.171
  121    H2     A  13           H2         A  13  40.658  -8.750  24.340
  122   1H5*    C  14          1H5*        C  14  36.230 -13.789  18.312
  123   2H5*    C  14          2H5*        C  14  37.203 -13.464  16.871
  124    H4*    C  14           H4*        C  14  35.944 -15.342  16.235
  125    H3*    C  14           H3*        C  14  34.402 -12.877  15.391
  126    H2*    C  14           H2*        C  14  32.476 -14.277  14.778
  127   2HO*    C  14          2HO*        C  14  32.766 -16.512  14.559
  128    H1*    C  14           H1*        C  14  32.758 -16.149  16.602
  129   1H4     C  14          1H4         C  14  29.107 -12.350  20.350
  130   2H4     C  14          2H4         C  14  28.023 -13.373  19.441
  131    H5     C  14           H5         C  14  31.519 -12.204  19.805
  132    H6     C  14           H6         C  14  33.267 -13.067  18.291
  133   1H5*    C  15          1H5*        C  15  34.218 -15.038  10.647
  134   2H5*    C  15          2H5*        C  15  34.240 -13.385  10.015
  135    H4*    C  15           H4*        C  15  32.379 -15.097   9.304
  136    H3*    C  15           H3*        C  15  31.766 -12.193   9.856
  137    H2*    C  15           H2*        C  15  29.578 -12.527   9.375
  138   2HO*    C  15          2HO*        C  15  28.964 -14.405   8.475
  139    H1*    C  15           H1*        C  15  29.239 -15.080  10.469
  140   1H4     C  15          1H4         C  15  29.066 -12.572  16.312
  141   2H4     C  15          2H4         C  15  27.392 -12.909  16.003
  142    H5     C  15           H5         C  15  30.646 -12.586  14.950
  143    H6     C  15           H6         C  15  31.489 -13.084  12.773
  144   1H5*    A  16          1H5*        A  16  28.861 -13.089   6.286
  145   2H5*    A  16          2H5*        A  16  28.868 -11.420   5.756
  146    H4*    A  16           H4*        A  16  26.701 -12.551   6.606
  147    H3*    A  16           H3*        A  16  27.558  -9.726   7.096
  148    H2*    A  16           H2*        A  16  25.790  -9.508   8.894
  149   2HO*    A  16          2HO*        A  16  24.417 -10.830   6.815
  150    H1*    A  16           H1*        A  16  25.170 -12.150   9.063
  151    H8     A  16           H8         A  16  28.435 -11.230  10.738
  152   1H6     A  16          1H6         A  16  26.700 -11.150  15.251
  153   2H6     A  16          2H6         A  16  25.079 -10.927  15.929
  154    H2     A  16           H2         A  16  22.297 -10.616  12.521
  155   1H5*    C  17          1H5*        C  17  24.022  -6.585   6.104
  156   2H5*    C  17          2H5*        C  17  25.534  -7.135   6.811
  157    H4*    C  17           H4*        C  17  22.789  -7.625   8.071
  158    H3*    C  17           H3*        C  17  24.660  -5.313   8.603
  159    H2*    C  17           H2*        C  17  23.843  -5.238  10.794
  160   2HO*    C  17          2HO*        C  17  21.574  -6.182   9.538
  161    H1*    C  17           H1*        C  17  23.134  -7.905  10.853
  162   1H4     C  17          1H4         C  17  28.074  -8.640  14.817
  163   2H4     C  17          2H4         C  17  26.691  -8.264  15.760
  164    H5     C  17           H5         C  17  28.134  -8.307  12.184
  165    H6     C  17           H6         C  17  26.710  -7.883  10.412
  166   1H5*    U  18          1H5*        U  18  21.033  -0.962   9.251
  167   2H5*    U  18          2H5*        U  18  22.779  -1.205   9.341
  168    H4*    U  18           H4*        U  18  20.692  -2.557  11.095
  169    H3*    U  18           H3*        U  18  21.890   0.047  11.444
  170    H2*    U  18           H2*        U  18  23.463  -0.718  13.193
  171   2HO*    U  18          2HO*        U  18  21.977  -1.907  14.873
  172    H1*    U  18           H1*        U  18  21.875  -3.043  13.457
  173    H3     U  18           H3         U  18  24.755  -4.268  16.492
  174    H5     U  18           H5         U  18  26.626  -4.667  12.761
  175    H6     U  18           H6         U  18  24.988  -3.243  11.849
  176   1H5*    U  19          1H5*        U  19  17.743  -2.974  12.214
  177   2H5*    U  19          2H5*        U  19  16.506  -1.998  11.472
  178    H4*    U  19           H4*        U  19  15.522  -3.067  13.549
  179    H3*    U  19           H3*        U  19  15.189  -0.260  13.560
  180    H2*    U  19           H2*        U  19  17.542   0.043  14.665
  181   2HO*    U  19          2HO*        U  19  16.427   0.363  16.973
  182    H1*    U  19           H1*        U  19  16.323  -1.911  16.566
  183    H3     U  19           H3         U  19  19.594  -1.738  19.625
  184    H5     U  19           H5         U  19  21.591  -0.647  16.064
  185    H6     U  19           H6         U  19  19.546  -0.834  14.926
  186   1H5*    A  20          1H5*        A  20  12.742  -2.441  11.567
  187   2H5*    A  20          2H5*        A  20  11.601  -3.505  12.418
  188    H4*    A  20           H4*        A  20  12.861  -4.611  10.424
  189    H3*    A  20           H3*        A  20  12.845  -5.720  13.247
  190    H2*    A  20           H2*        A  20  14.410  -7.228  12.902
  191   2HO*    A  20          2HO*        A  20  14.835  -8.076  10.784
  192    H1*    A  20           H1*        A  20  15.804  -6.072  10.760
  193    H8     A  20           H8         A  20  15.015  -5.872  14.528
  194   1H6     A  20          1H6         A  20  19.385  -5.147  16.272
  195   2H6     A  20          2H6         A  20  20.949  -4.879  15.538
  196    H2     A  20           H2         A  20  20.387  -5.004  11.136
  197   1H5*    A  21          1H5*        A  21  13.010  -8.080   9.859
  198   2H5*    A  21          2H5*        A  21  11.832  -8.668   8.688
  199    H4*    A  21           H4*        A  21  12.777 -10.717   8.645
  200    H3*    A  21           H3*        A  21  12.171 -10.609  11.540
  201    H2*    A  21           H2*        A  21  14.069 -11.534  12.236
  202   2HO*    A  21          2HO*        A  21  14.776 -13.420  11.426
  203    H1*    A  21           H1*        A  21  15.602 -11.780   9.902
  204    H8     A  21           H8         A  21  15.761 -10.671  13.337
  205   1H6     A  21          1H6         A  21  19.658  -7.794  13.415
  206   2H6     A  21          2H6         A  21  20.571  -7.028  12.136
  207    H2     A  21           H2         A  21  18.795  -8.281   8.231
  208   1H5*    A  22          1H5*        A  22  13.889 -14.872   7.860
  209   2H5*    A  22          2H5*        A  22  15.042 -14.552   9.143
  210    H4*    A  22           H4*        A  22  15.022 -13.056   6.498
  211    H3*    A  22           H3*        A  22  16.424 -15.597   7.395
  212    H2*    A  22           H2*        A  22  18.516 -14.785   7.148
  213   2HO*    A  22          2HO*        A  22  18.972 -14.687   5.088
  214    H1*    A  22           H1*        A  22  17.635 -12.059   6.312
  215    H8     A  22           H8         A  22  18.170 -13.115   9.942
  216   1H6     A  22          1H6         A  22  23.080  -9.402   9.732
  217   2H6     A  22          2H6         A  22  22.069 -10.360  10.779
  218    H2     A  22           H2         A  22  21.583  -9.713   5.745
  219   1H5*    A  23          1H5*        A  23  17.663 -15.455   3.996
  220   2H5*    A  23          2H5*        A  23  17.566 -16.808   2.844
  221    H4*    A  23           H4*        A  23  19.823 -16.629   2.936
  222    H3*    A  23           H3*        A  23  19.297 -18.189   5.557
  223    H2*    A  23           H2*        A  23  21.873 -18.383   5.650
  224   2HO*    A  23          2HO*        A  23  21.548 -17.042   3.165
  225    H1*    A  23           H1*        A  23  22.082 -15.652   5.042
  226    H8     A  23           H8         A  23  19.990 -17.334   7.996
  227   1H6     A  23          1H6         A  23  21.436 -14.143  11.410
  228   2H6     A  23          2H6         A  23  22.485 -12.756  11.298
  229    H2     A  23           H2         A  23  24.075 -12.625   7.141
  230   1H5*    A  24          1H5*        A  24  21.798 -22.278   4.170
  231   2H5*    A  24          2H5*        A  24  20.844 -23.024   5.466
  232    H4*    A  24           H4*        A  24  23.374 -23.002   5.917
  233    H3*    A  24           H3*        A  24  21.361 -22.248   7.868
  234    H2*    A  24           H2*        A  24  22.674 -20.788   8.952
  235   2HO*    A  24          2HO*        A  24  23.889 -23.071   9.228
  236    H1*    A  24           H1*        A  24  25.084 -20.986   7.253
  237    H8     A  24           H8         A  24  22.090 -18.751   8.357
  238   1H6     A  24          1H6         A  24  24.658 -14.788   9.194
  239   2H6     A  24          2H6         A  24  26.275 -14.296   8.752
  240    H2     A  24           H2         A  24  27.991 -17.590   6.309
  241   1H5*    C  25          1H5*        C  25  21.071 -25.359  10.834
  242   2H5*    C  25          2H5*        C  25  22.114 -24.084  10.206
  243    H4*    C  25           H4*        C  25  24.013 -24.936  11.151
  244    H3*    C  25           H3*        C  25  22.991 -27.660  10.553
  245    H2*    C  25           H2*        C  25  24.574 -28.470  12.203
  246   2HO*    C  25          2HO*        C  25  25.779 -26.059  12.698
  247    H1*    C  25           H1*        C  25  24.378 -26.277  13.901
  248   1H4     C  25          1H4         C  25  21.419 -30.742  17.313
  249   2H4     C  25          2H4         C  25  20.326 -31.129  16.003
  250    H5     C  25           H5         C  25  20.400 -30.030  13.855
  251    H6     C  25           H6         C  25  21.579 -28.435  12.492
  252   1H5*    A  26          1H5*        A  26  26.557 -24.180  11.002
  253   2H5*    A  26          2H5*        A  26  25.588 -24.729   9.626
  254    H4*    A  26           H4*        A  26  27.714 -24.512   8.227
  255    H3*    A  26           H3*        A  26  28.669 -23.460  10.846
  256    H2*    A  26           H2*        A  26  29.447 -21.466  10.055
  257   2HO*    A  26          2HO*        A  26  30.840 -21.999   8.515
  258    H1*    A  26           H1*        A  26  27.787 -20.996   7.893
  259    H8     A  26           H8         A  26  25.557 -21.670  10.830
  260   1H6     A  26          1H6         A  26  26.266 -17.555  13.445
  261   2H6     A  26          2H6         A  26  27.318 -16.189  13.172
  262    H2     A  26           H2         A  26  29.796 -17.076   9.549
  263   1H5*    C  27          1H5*        C  27  32.412 -22.861   8.917
  264   2H5*    C  27          2H5*        C  27  33.603 -23.933   9.676
  265    H4*    C  27           H4*        C  27  34.588 -21.735   9.702
  266    H3*    C  27           H3*        C  27  33.254 -21.840  12.386
  267    H2*    C  27           H2*        C  27  34.502 -19.835  12.777
  268   2HO*    C  27          2HO*        C  27  36.449 -20.199  11.968
  269    H1*    C  27           H1*        C  27  34.072 -18.922  10.134
  270   1H4     C  27          1H4         C  27  30.418 -15.164  13.611
  271   2H4     C  27          2H4         C  27  29.210 -16.406  13.798
  272    H5     C  27           H5         C  27  29.571 -18.570  13.251
  273    H6     C  27           H6         C  27  30.843 -20.152  11.718
  274   1H5*    C  28          1H5*        C  28  38.032 -20.834  12.771
  275   2H5*    C  28          2H5*        C  28  38.325 -21.900  14.154
  276    H4*    C  28           H4*        C  28  39.301 -19.501  14.234
  277    H3*    C  28           H3*        C  28  37.768 -20.883  16.398
  278    H2*    C  28           H2*        C  28  37.670 -19.034  17.774
  279   2HO*    C  28          2HO*        C  28  40.068 -18.641  17.115
  280    H1*    C  28           H1*        C  28  37.334 -17.009  15.874
  281   1H4     C  28          1H4         C  28  31.487 -19.766  17.323
  282   2H4     C  28          2H4         C  28  31.644 -18.366  18.376
  283    H5     C  28           H5         C  28  33.209 -20.611  16.014
  284    H6     C  28           H6         C  28  35.354 -20.002  14.800
  285   1H5*    G  29          1H5*        G  29  40.445 -19.807  18.538
  286   2H5*    G  29          2H5*        G  29  41.301 -20.744  19.772
  287    H4*    G  29           H4*        G  29  39.742 -19.006  20.677
  288    H3*    G  29           H3*        G  29  38.644 -21.785  21.230
  289    H2*    G  29           H2*        G  29  37.027 -20.696  22.562
  290   2HO*    G  29          2HO*        G  29  37.223 -18.500  23.108
  291    H1*    G  29           H1*        G  29  36.800 -18.484  20.799
  292    H8     G  29           H8         G  29  36.326 -21.320  18.359
  293    H1     G  29           H1         G  29  30.920 -19.369  21.278
  294   1H2     G  29          1H2         G  29  33.288 -17.976  23.708
  295   2H2     G  29          2H2         G  29  31.610 -18.178  23.259
  296   1H5*    G  30          1H5*        G  30  39.113 -20.122  24.527
  297   2H5*    G  30          2H5*        G  30  39.264 -20.864  26.132
  298    H4*    G  30           H4*        G  30  37.063 -19.754  25.611
  299    H3*    G  30           H3*        G  30  37.094 -22.716  26.220
  300    H2*    G  30           H2*        G  30  34.829 -22.855  25.769
  301   2HO*    G  30          2HO*        G  30  34.854 -20.640  27.313
  302    H1*    G  30           H1*        G  30  34.756 -20.213  24.507
  303    H8     G  30           H8         G  30  35.886 -22.304  21.582
  304    H1     G  30           H1         G  30  29.545 -22.355  22.426
  305   1H2     G  30          1H2         G  30  30.192 -21.321  25.710
  306   2H2     G  30          2H2         G  30  29.001 -21.738  24.495
  Start of MODEL    3
    1   1H5*    A   3          1H5*        A   3  26.046  -2.640  26.006
    2   2H5*    A   3          2H5*        A   3  24.519  -2.215  26.747
    3    H4*    A   3           H4*        A   3  24.066  -1.241  24.826
    4    H3*    A   3           H3*        A   3  23.490  -4.106  23.802
    5    H2*    A   3           H2*        A   3  22.851  -3.170  21.755
    6   2HO*    A   3          2HO*        A   3  22.279  -1.087  21.467
    7    H1*    A   3           H1*        A   3  25.144  -1.346  21.717
    8    H8     A   3           H8         A   3  26.774  -4.125  22.500
    9   1H6     A   3          1H6         A   3  27.937  -5.441  18.020
   10   2H6     A   3          2H6         A   3  27.211  -5.112  16.438
   11    H2     A   3           H2         A   3  23.621  -2.532  17.235
   12   1H5*    G   4          1H5*        G   4  20.520  -3.146  22.992
   13   2H5*    G   4          2H5*        G   4  18.942  -3.880  23.317
   14    H4*    G   4           H4*        G   4  19.264  -3.868  20.989
   15    H3*    G   4           H3*        G   4  20.574  -6.717  21.481
   16    H2*    G   4           H2*        G   4  20.549  -6.891  19.061
   17   2HO*    G   4          2HO*        G   4  19.636  -5.227  17.811
   18    H1*    G   4           H1*        G   4  21.466  -4.358  18.772
   19    H8     G   4           H8         G   4  23.658  -5.564  21.420
   20    H1     G   4           H1         G   4  24.938  -7.235  15.318
   21   1H2     G   4          1H2         G   4  21.440  -6.295  15.151
   22   2H2     G   4          2H2         G   4  22.829  -6.870  14.275
   23   1H5*    U   5          1H5*        U   5  16.464  -8.572  20.034
   24   2H5*    U   5          2H5*        U   5  16.562 -10.252  20.442
   25    H4*    U   5           H4*        U   5  16.529  -9.373  17.883
   26    H3*    U   5           H3*        U   5  18.736 -11.485  18.464
   27    H2*    U   5           H2*        U   5  19.106 -11.448  16.174
   28   2HO*    U   5          2HO*        U   5  17.848 -10.364  14.723
   29    H1*    U   5           H1*        U   5  19.263  -8.826  15.988
   30    H3     U   5           H3         U   5  23.351 -10.187  15.620
   31    H5     U   5           H5         U   5  22.819  -8.991  19.664
   32    H6     U   5           H6         U   5  20.402  -9.077  19.265
   33   1H5*    G   6          1H5*        G   6  16.267 -13.374  16.137
   34   2H5*    G   6          2H5*        G   6  15.761 -15.073  16.283
   35    H4*    G   6           H4*        G   6  17.149 -14.742  14.323
   36    H3*    G   6           H3*        G   6  18.485 -16.193  16.610
   37    H2*    G   6           H2*        G   6  20.377 -16.554  15.219
   38   2HO*    G   6          2HO*        G   6  18.471 -16.298  13.246
   39    H1*    G   6           H1*        G   6  20.261 -14.169  13.942
   40    H8     G   6           H8         G   6  20.155 -13.270  17.606
   41    H1     G   6           H1         G   6  25.887 -13.532  14.761
   42   1H2     G   6          1H2         G   6  24.192 -15.448  12.321
   43   2H2     G   6          2H2         G   6  25.698 -14.727  12.844
   44   1H5*    G   7          1H5*        G   7  20.191 -19.306  17.801
   45   2H5*    G   7          2H5*        G   7  20.016 -17.596  17.344
   46    H4*    G   7           H4*        G   7  20.506 -19.272  15.014
   47    H3*    G   7           H3*        G   7  22.309 -19.777  17.376
   48    H2*    G   7           H2*        G   7  24.251 -19.593  15.783
   49   2HO*    G   7          2HO*        G   7  22.112 -19.826  14.005
   50    H1*    G   7           H1*        G   7  23.610 -17.456  14.726
   51    H8     G   7           H8         G   7  21.895 -16.565  17.847
   52    H1     G   7           H1         G   7  28.151 -15.013  17.777
   53   1H2     G   7          1H2         G   7  28.149 -17.336  15.009
   54   2H2     G   7          2H2         G   7  29.073 -16.231  16.003
   55   1H5*   CH   8          1H5*       CH   8  24.413 -22.449  13.017
   56   2H5*   CH   8          2H5*       CH   8  24.541 -23.669  14.311
   57    H4*   CH   8           H4*       CH   8  26.851 -22.428  13.212
   58    H3*   CH   8           H3*       CH   8  26.150 -23.323  16.176
   59    H2*   CH   8           H2*       CH   8  28.308 -22.530  16.752
   60   2HO*   CH   8          2HO*       CH   8  29.876 -21.904  14.887
   61    H1*   CH   8           H1*       CH   8  28.508 -20.785  14.764
   62    HN3   CH   8           HN3       CH   8  30.231 -18.420  18.015
   63   1H4    CH   8          1H4        CH   8  27.736 -16.903  19.924
   64   2H4    CH   8          2H4        CH   8  29.433 -16.832  19.690
   65    H5    CH   8           H5        CH   8  26.135 -18.458  19.012
   66    H6    CH   8           H6        CH   8  25.796 -20.183  17.237
   67   1H5*    G   9          1H5*        G   9  24.752 -26.845  17.180
   68   2H5*    G   9          2H5*        G   9  24.786 -25.844  15.704
   69    H4*    G   9           H4*        G   9  24.336 -23.874  17.299
   70    H3*    G   9           H3*        G   9  24.681 -25.899  19.263
   71    H2*    G   9           H2*        G   9  22.537 -26.714  19.266
   72   2HO*    G   9          2HO*        G   9  21.104 -25.413  20.539
   73    H1*    G   9           H1*        G   9  21.256 -24.232  18.247
   74    H8     G   9           H8         G   9  21.189 -26.799  15.759
   75    H1     G   9           H1         G   9  16.906 -28.219  20.264
   76   1H2     G   9          1H2         G   9  17.263 -26.984  22.069
   77   2H2     G   9          2H2         G   9  18.557 -25.810  22.165
   78   1H5*    C  10          1H5*        C  10  21.213 -23.781  22.869
   79   2H5*    C  10          2H5*        C  10  21.418 -22.091  22.220
   80    H4*    C  10           H4*        C  10  21.894 -22.485  24.829
   81    H3*    C  10           H3*        C  10  23.926 -20.924  23.100
   82    H2*    C  10           H2*        C  10  25.324 -20.720  24.789
   83   2HO*    C  10          2HO*        C  10  23.159 -21.720  26.360
   84    H1*    C  10           H1*        C  10  25.338 -23.313  25.397
   85   1H4     C  10          1H4         C  10  28.510 -24.579  19.944
   86   2H4     C  10          2H4         C  10  29.726 -23.830  20.975
   87    H5     C  10           H5         C  10  26.132 -24.514  20.425
   88    H6     C  10           H6         C  10  24.501 -24.054  22.032
   89   1H5*    C  11          1H5*        C  11  23.554 -15.825  25.998
   90   2H5*    C  11          2H5*        C  11  23.497 -16.038  24.214
   91    H4*    C  11           H4*        C  11  25.617 -17.133  26.221
   92    H3*    C  11           H3*        C  11  26.196 -14.816  24.257
   93    H2*    C  11           H2*        C  11  27.884 -15.948  23.333
   94   2HO*    C  11          2HO*        C  11  28.589 -15.812  25.915
   95    H1*    C  11           H1*        C  11  27.639 -18.351  24.948
   96   1H4     C  11          1H4         C  11  28.496 -21.433  19.578
   97   2H4     C  11          2H4         C  11  30.050 -20.946  20.065
   98    H5     C  11           H5         C  11  26.371 -20.522  20.555
   99    H6     C  11           H6         C  11  25.621 -18.920  22.110
  100   1H5*    G  12          1H5*        G  12  27.864 -10.918  25.437
  101   2H5*    G  12          2H5*        G  12  27.669 -12.359  24.347
  102    H4*    G  12           H4*        G  12  30.283 -11.526  25.854
  103    H3*    G  12           H3*        G  12  29.779 -10.393  23.003
  104    H2*    G  12           H2*        G  12  31.644 -11.248  22.201
  105   2HO*    G  12          2HO*        G  12  33.448 -11.841  23.523
  106    H1*    G  12           H1*        G  12  32.236 -13.281  23.606
  107    H8     G  12           H8         G  12  28.794 -14.071  22.628
  108    H1     G  12           H1         G  12  33.348 -16.532  19.050
  109   1H2     G  12          1H2         G  12  35.563 -14.322  20.707
  110   2H2     G  12          2H2         G  12  35.393 -15.615  19.524
  111   1H5*    A  13          1H5*        A  13  34.640  -9.950  22.429
  112   2H5*    A  13          2H5*        A  13  34.381  -8.265  21.989
  113    H4*    A  13           H4*        A  13  34.798 -10.361  20.102
  114    H3*    A  13           H3*        A  13  34.317  -7.711  19.524
  115    H2*    A  13           H2*        A  13  31.997  -7.636  19.605
  116   2HO*    A  13          2HO*        A  13  32.746  -8.768  17.113
  117    H1*    A  13           H1*        A  13  31.526 -10.400  18.584
  118    H8     A  13           H8         A  13  31.178  -8.073  21.678
  119   1H6     A  13          1H6         A  13  25.223  -9.577  21.749
  120   2H6     A  13          2H6         A  13  26.486  -8.665  22.542
  121    H2     A  13           H2         A  13  27.163 -11.789  18.352
  122   1H5*    C  14          1H5*        C  14  35.750 -12.623  18.704
  123   2H5*    C  14          2H5*        C  14  37.087 -12.635  17.583
  124    H4*    C  14           H4*        C  14  36.226 -14.456  16.668
  125    H3*    C  14           H3*        C  14  34.225 -12.391  15.761
  126    H2*    C  14           H2*        C  14  32.672 -14.137  15.082
  127   2HO*    C  14          2HO*        C  14  33.374 -16.173  14.663
  128    H1*    C  14           H1*        C  14  33.184 -15.840  16.977
  129   1H4     C  14          1H4         C  14  29.063 -12.539  20.453
  130   2H4     C  14          2H4         C  14  28.110 -13.639  19.481
  131    H5     C  14           H5         C  14  31.397 -12.175  20.001
  132    H6     C  14           H6         C  14  33.241 -12.780  18.527
  133   1H5*    C  15          1H5*        C  15  34.440 -14.943  12.182
  134   2H5*    C  15          2H5*        C  15  34.397 -13.819  10.825
  135    H4*    C  15           H4*        C  15  32.705 -15.672  10.814
  136    H3*    C  15           H3*        C  15  31.808 -12.829  10.488
  137    H2*    C  15           H2*        C  15  29.645 -13.482  10.202
  138   2HO*    C  15          2HO*        C  15  29.226 -15.602   9.800
  139    H1*    C  15           H1*        C  15  29.625 -15.644  11.975
  140   1H4     C  15          1H4         C  15  28.464 -11.569  16.811
  141   2H4     C  15          2H4         C  15  26.922 -12.247  16.388
  142    H5     C  15           H5         C  15  30.386 -11.805  15.611
  143    H6     C  15           H6         C  15  31.463 -12.769  13.638
  144   1H5*    A  16          1H5*        A  16  28.750 -14.706   7.377
  145   2H5*    A  16          2H5*        A  16  28.832 -13.216   6.484
  146    H4*    A  16           H4*        A  16  26.611 -13.830   7.638
  147    H3*    A  16           H3*        A  16  27.774 -11.047   7.989
  148    H2*    A  16           H2*        A  16  25.698 -10.684   9.453
  149   2HO*    A  16          2HO*        A  16  24.786 -12.767   7.717
  150    H1*    A  16           H1*        A  16  25.467 -13.094  10.268
  151    H8     A  16           H8         A  16  28.915 -11.675  11.226
  152   1H6     A  16          1H6         A  16  27.405 -10.326  15.699
  153   2H6     A  16          2H6         A  16  25.790 -10.072  16.389
  154    H2     A  16           H2         A  16  22.841 -11.008  13.199
  155   1H5*    C  17          1H5*        C  17  24.301 -10.449   6.756
  156   2H5*    C  17          2H5*        C  17  23.914  -8.947   5.914
  157    H4*    C  17           H4*        C  17  22.712  -9.158   8.058
  158    H3*    C  17           H3*        C  17  24.805  -6.991   8.063
  159    H2*    C  17           H2*        C  17  23.730  -6.236  10.080
  160   2HO*    C  17          2HO*        C  17  21.774  -7.334  10.752
  161    H1*    C  17           H1*        C  17  23.145  -8.770  10.863
  162   1H4     C  17          1H4         C  17  28.386  -8.359  14.583
  163   2H4     C  17          2H4         C  17  27.026  -7.778  15.477
  164    H5     C  17           H5         C  17  28.275  -8.749  11.937
  165    H6     C  17           H6         C  17  26.722  -8.865  10.155
  166   1H5*    U  18          1H5*        U  18  21.506  -2.248   7.650
  167   2H5*    U  18          2H5*        U  18  23.211  -2.579   7.859
  168    H4*    U  18           H4*        U  18  21.028  -3.539   9.758
  169    H3*    U  18           H3*        U  18  22.120  -0.914   9.703
  170    H2*    U  18           H2*        U  18  23.729  -1.349  11.543
  171   2HO*    U  18          2HO*        U  18  22.315  -2.049  13.483
  172    H1*    U  18           H1*        U  18  22.118  -3.560  12.284
  173    H3     U  18           H3         U  18  25.281  -3.885  15.487
  174    H5     U  18           H5         U  18  26.849  -5.309  11.870
  175    H6     U  18           H6         U  18  25.146  -4.205  10.749
  176   1H5*    U  19          1H5*        U  19  17.911  -2.546  10.795
  177   2H5*    U  19          2H5*        U  19  16.616  -1.508  10.185
  178    H4*    U  19           H4*        U  19  16.026  -2.291  12.519
  179    H3*    U  19           H3*        U  19  15.788   0.452  11.977
  180    H2*    U  19           H2*        U  19  18.274   0.857  12.810
  181   2HO*    U  19          2HO*        U  19  16.169   1.397  14.709
  182    H1*    U  19           H1*        U  19  17.157  -0.712  15.092
  183    H3     U  19           H3         U  19  20.649   0.078  17.810
  184    H5     U  19           H5         U  19  22.438   0.056  13.983
  185    H6     U  19           H6         U  19  20.298  -0.364  13.050
  186   1H5*    A  20          1H5*        A  20  13.667  -1.389  10.626
  187   2H5*    A  20          2H5*        A  20  12.067  -1.911  11.190
  188    H4*    A  20           H4*        A  20  13.306  -3.625   9.696
  189    H3*    A  20           H3*        A  20  12.538  -4.264  12.583
  190    H2*    A  20           H2*        A  20  13.376  -6.380  12.447
  191   2HO*    A  20          2HO*        A  20  13.657  -7.449  10.515
  192    H1*    A  20           H1*        A  20  15.484  -5.762  10.660
  193    H8     A  20           H8         A  20  14.162  -5.395  14.251
  194   1H6     A  20          1H6         A  20  20.009  -5.321  16.129
  195   2H6     A  20          2H6         A  20  18.337  -5.384  16.635
  196    H2     A  20           H2         A  20  20.014  -5.197  11.643
  197   1H5*    A  21          1H5*        A  21  10.343  -8.606  12.238
  198   2H5*    A  21          2H5*        A  21  10.890  -8.171  13.871
  199    H4*    A  21           H4*        A  21  12.627  -9.070  11.487
  200    H3*    A  21           H3*        A  21  12.050 -10.380  14.114
  201    H2*    A  21           H2*        A  21  14.194 -10.171  14.569
  202   2HO*    A  21          2HO*        A  21  14.461 -11.728  12.180
  203    H1*    A  21           H1*        A  21  14.813  -9.145  11.724
  204    H8     A  21           H8         A  21  15.520  -8.681  15.504
  205   1H6     A  21          1H6         A  21  20.163  -7.361  15.158
  206   2H6     A  21          2H6         A  21  21.279  -7.319  13.814
  207    H2     A  21           H2         A  21  19.024  -8.536  10.169
  208   1H5*    A  22          1H5*        A  22  12.789 -15.058  10.068
  209   2H5*    A  22          2H5*        A  22  13.834 -14.382  11.298
  210    H4*    A  22           H4*        A  22  13.192 -12.931   8.673
  211    H3*    A  22           H3*        A  22  15.340 -14.914   9.458
  212    H2*    A  22           H2*        A  22  16.978 -13.722   8.432
  213   2HO*    A  22          2HO*        A  22  16.570 -12.365   6.655
  214    H1*    A  22           H1*        A  22  15.794 -11.174   8.491
  215    H8     A  22           H8         A  22  16.223 -11.881  12.021
  216   1H6     A  22          1H6         A  22  21.074 -11.151  12.420
  217   2H6     A  22          2H6         A  22  22.308 -10.917  11.204
  218    H2     A  22           H2         A  22  20.472 -11.168   7.335
  219   1H5*    A  23          1H5*        A  23  16.168 -15.574   6.166
  220   2H5*    A  23          2H5*        A  23  16.162 -17.199   5.451
  221    H4*    A  23           H4*        A  23  18.442 -16.615   5.512
  222    H3*    A  23           H3*        A  23  17.969 -17.944   8.263
  223    H2*    A  23           H2*        A  23  20.499 -17.796   8.539
  224   2HO*    A  23          2HO*        A  23  21.557 -17.852   6.821
  225    H1*    A  23           H1*        A  23  20.539 -15.284   7.239
  226    H8     A  23           H8         A  23  17.872 -14.953  10.023
  227   1H6     A  23          1H6         A  23  22.697 -12.776  13.123
  228   2H6     A  23          2H6         A  23  20.965 -12.809  13.044
  229    H2     A  23           H2         A  23  24.186 -14.662   9.325
  230   1H5*    A  24          1H5*        A  24  22.299 -18.421   5.184
  231   2H5*    A  24          2H5*        A  24  20.782 -19.219   4.730
  232    H4*    A  24           H4*        A  24  22.287 -20.371   3.612
  233    H3*    A  24           H3*        A  24  21.079 -21.730   5.564
  234    H2*    A  24           H2*        A  24  22.838 -22.280   7.274
  235   2HO*    A  24          2HO*        A  24  23.056 -24.042   5.678
  236    H1*    A  24           H1*        A  24  25.203 -21.586   6.030
  237    H8     A  24           H8         A  24  22.481 -20.422   8.400
  238   1H6     A  24          1H6         A  24  25.145 -17.210  10.959
  239   2H6     A  24          2H6         A  24  26.726 -16.529  10.704
  240    H2     A  24           H2         A  24  28.284 -18.255   6.850
  241   1H5*    C  25          1H5*        C  25  20.204 -25.211   6.577
  242   2H5*    C  25          2H5*        C  25  21.304 -23.891   7.000
  243    H4*    C  25           H4*        C  25  21.534 -25.713   8.580
  244    H3*    C  25           H3*        C  25  23.719 -24.618   7.279
  245    H2*    C  25           H2*        C  25  23.919 -26.094   5.661
  246   2HO*    C  25          2HO*        C  25  25.866 -26.229   7.024
  247    H1*    C  25           H1*        C  25  23.372 -28.465   7.421
  248   1H4     C  25          1H4         C  25  22.276 -31.983   2.320
  249   2H4     C  25          2H4         C  25  22.463 -30.618   1.242
  250    H5     C  25           H5         C  25  23.063 -28.427   2.047
  251    H6     C  25           H6         C  25  22.787 -26.910   3.968
  252   1H5*    A  26          1H5*        A  26  27.571 -25.831  11.424
  253   2H5*    A  26          2H5*        A  26  27.132 -24.178  11.810
  254    H4*    A  26           H4*        A  26  28.401 -25.246   9.281
  255    H3*    A  26           H3*        A  26  29.257 -23.642  11.599
  256    H2*    A  26           H2*        A  26  29.964 -21.762  10.516
  257   2HO*    A  26          2HO*        A  26  31.486 -22.646   9.198
  258    H1*    A  26           H1*        A  26  28.415 -21.716   8.242
  259    H8     A  26           H8         A  26  25.902 -22.179  10.808
  260   1H6     A  26          1H6         A  26  26.526 -18.053  13.625
  261   2H6     A  26          2H6         A  26  27.642 -16.734  13.403
  262    H2     A  26           H2         A  26  30.386 -17.760  10.042
  263   1H5*    C  27          1H5*        C  27  33.294 -24.152  10.081
  264   2H5*    C  27          2H5*        C  27  34.315 -25.023  11.244
  265    H4*    C  27           H4*        C  27  35.397 -22.876  10.814
  266    H3*    C  27           H3*        C  27  33.825 -22.342  13.311
  267    H2*    C  27           H2*        C  27  35.185 -20.343  13.401
  268   2HO*    C  27          2HO*        C  27  37.144 -20.862  12.729
  269    H1*    C  27           H1*        C  27  34.825 -19.934  10.648
  270   1H4     C  27          1H4         C  27  29.873 -17.137  14.040
  271   2H4     C  27          2H4         C  27  31.002 -15.877  13.596
  272    H5     C  27           H5         C  27  30.254 -19.331  13.693
  273    H6     C  27           H6         C  27  31.610 -21.090  12.406
  274   1H5*    C  28          1H5*        C  28  38.664 -21.296  13.756
  275   2H5*    C  28          2H5*        C  28  38.807 -22.080  15.339
  276    H4*    C  28           H4*        C  28  39.820 -19.674  14.963
  277    H3*    C  28           H3*        C  28  38.301 -20.735  17.293
  278    H2*    C  28           H2*        C  28  38.148 -18.718  18.396
  279   2HO*    C  28          2HO*        C  28  40.181 -17.782  16.614
  280    H1*    C  28           H1*        C  28  37.657 -17.037  16.212
  281   1H4     C  28          1H4         C  28  31.984 -19.973  17.924
  282   2H4     C  28          2H4         C  28  32.030 -18.438  18.776
  283    H5     C  28           H5         C  28  33.838 -20.899  16.823
  284    H6     C  28           H6         C  28  35.974 -20.331  15.590
  285   1H5*    G  29          1H5*        G  29  40.855 -19.484  19.239
  286   2H5*    G  29          2H5*        G  29  41.678 -20.126  20.672
  287    H4*    G  29           H4*        G  29  39.821 -18.481  21.125
  288    H3*    G  29           H3*        G  29  39.056 -21.258  22.097
  289    H2*    G  29           H2*        G  29  37.217 -20.190  23.117
  290   2HO*    G  29          2HO*        G  29  37.100 -17.922  23.277
  291    H1*    G  29           H1*        G  29  36.885 -18.341  20.984
  292    H8     G  29           H8         G  29  36.867 -21.591  19.069
  293    H1     G  29           H1         G  29  31.104 -19.813  21.320
  294   1H2     G  29          1H2         G  29  33.141 -17.763  23.581
  295   2H2     G  29          2H2         G  29  31.529 -18.231  23.092
  296   1H5*    G  30          1H5*        G  30  39.098 -18.974  25.035
  297   2H5*    G  30          2H5*        G  30  39.231 -19.371  26.760
  298    H4*    G  30           H4*        G  30  36.961 -18.649  25.947
  299    H3*    G  30           H3*        G  30  37.268 -21.421  27.120
  300    H2*    G  30           H2*        G  30  35.054 -21.886  26.637
  301   2HO*    G  30          2HO*        G  30  33.470 -20.172  26.645
  302    H1*    G  30           H1*        G  30  34.787 -19.562  24.881
  303    H8     G  30           H8         G  30  36.255 -22.057  22.456
  304    H1     G  30           H1         G  30  29.917 -22.611  23.123
  305   1H2     G  30          1H2         G  30  30.302 -20.878  26.141
  306   2H2     G  30          2H2         G  30  29.222 -21.658  25.005
  Start of MODEL    4
    1   1H5*    A   3          1H5*        A   3  26.251  -4.638  26.474
    2   2H5*    A   3          2H5*        A   3  24.625  -5.183  27.004
    3    H4*    A   3           H4*        A   3  24.359  -3.356  25.439
    4    H3*    A   3           H3*        A   3  23.995  -5.785  23.537
    5    H2*    A   3           H2*        A   3  23.366  -4.177  21.950
    6   2HO*    A   3          2HO*        A   3  22.771  -2.149  22.408
    7    H1*    A   3           H1*        A   3  25.688  -2.636  22.460
    8    H8     A   3           H8         A   3  27.212  -5.529  22.720
    9   1H6     A   3          1H6         A   3  28.038  -6.419  18.046
   10   2H6     A   3          2H6         A   3  27.225  -5.901  16.559
   11    H2     A   3           H2         A   3  23.839  -3.252  17.851
   12   1H5*    G   4          1H5*        G   4  20.992  -4.717  23.199
   13   2H5*    G   4          2H5*        G   4  19.316  -5.196  23.558
   14    H4*    G   4           H4*        G   4  19.330  -4.860  21.249
   15    H3*    G   4           H3*        G   4  20.472  -7.811  21.128
   16    H2*    G   4           H2*        G   4  20.360  -7.598  18.751
   17   2HO*    G   4          2HO*        G   4  18.672  -5.402  19.410
   18    H1*    G   4           H1*        G   4  21.372  -5.062  18.769
   19    H8     G   4           H8         G   4  23.634  -6.608  21.127
   20    H1     G   4           H1         G   4  24.715  -7.540  14.831
   21   1H2     G   4          1H2         G   4  21.229  -6.562  14.839
   22   2H2     G   4          2H2         G   4  22.605  -7.037  13.882
   23   1H5*    U   5          1H5*        U   5  16.555  -8.303  19.169
   24   2H5*    U   5          2H5*        U   5  15.729  -9.795  19.642
   25    H4*    U   5           H4*        U   5  15.893  -9.548  17.171
   26    H3*    U   5           H3*        U   5  17.817 -11.808  18.023
   27    H2*    U   5           H2*        U   5  18.025 -12.171  15.660
   28   2HO*    U   5          2HO*        U   5  15.745 -10.560  15.623
   29    H1*    U   5           H1*        U   5  18.436  -9.625  15.082
   30    H3     U   5           H3         U   5  22.688 -10.561  14.737
   31    H5     U   5           H5         U   5  22.102  -9.933  18.866
   32    H6     U   5           H6         U   5  19.690  -9.975  18.470
   33   1H5*    G   6          1H5*        G   6  15.981 -13.106  15.215
   34   2H5*    G   6          2H5*        G   6  15.405 -14.777  15.072
   35    H4*    G   6           H4*        G   6  16.961 -14.287  13.315
   36    H3*    G   6           H3*        G   6  18.204 -15.972  15.457
   37    H2*    G   6           H2*        G   6  20.163 -16.127  14.094
   38   2HO*    G   6          2HO*        G   6  18.324 -15.613  12.094
   39    H1*    G   6           H1*        G   6  19.980 -13.632  13.090
   40    H8     G   6           H8         G   6  19.943 -13.148  16.849
   41    H1     G   6           H1         G   6  25.685 -13.243  14.054
   42   1H2     G   6          1H2         G   6  24.001 -14.845  11.404
   43   2H2     G   6          2H2         G   6  25.508 -14.231  12.049
   44   1H5*    G   7          1H5*        G   7  19.579 -19.648  15.905
   45   2H5*    G   7          2H5*        G   7  19.150 -17.920  15.847
   46    H4*    G   7           H4*        G   7  20.578 -18.467  13.470
   47    H3*    G   7           H3*        G   7  21.708 -20.149  15.657
   48    H2*    G   7           H2*        G   7  23.547 -18.817  16.122
   49   2HO*    G   7          2HO*        G   7  23.737 -19.097  13.347
   50    H1*    G   7           H1*        G   7  23.138 -16.759  14.416
   51    H8     G   7           H8         G   7  21.226 -15.926  17.479
   52    H1     G   7           H1         G   7  27.535 -14.668  17.579
   53   1H2     G   7          1H2         G   7  27.504 -17.027  14.859
   54   2H2     G   7          2H2         G   7  28.459 -15.961  15.861
   55   1H5*   CH   8          1H5*       CH   8  22.532 -24.006  15.274
   56   2H5*   CH   8          2H5*       CH   8  21.982 -22.334  15.584
   57    H4*   CH   8           H4*       CH   8  24.753 -22.689  14.276
   58    H3*   CH   8           H3*       CH   8  24.493 -23.411  17.390
   59    H2*   CH   8           H2*       CH   8  26.776 -22.594  17.401
   60   2HO*   CH   8          2HO*       CH   8  27.877 -22.170  15.274
   61    H1*   CH   8           H1*       CH   8  26.509 -21.041  15.323
   62    HN3   CH   8           HN3       CH   8  29.010 -18.612  18.051
   63   1H4    CH   8          1H4        CH   8  28.743 -17.266  19.339
   64   2H4    CH   8          2H4        CH   8  27.361 -16.694  20.204
   65    H5    CH   8           H5        CH   8  25.107 -18.277  19.712
   66    H6    CH   8           H6        CH   8  24.333 -19.974  18.053
   67   1H5*    G   9          1H5*        G   9  22.119 -26.588  18.073
   68   2H5*    G   9          2H5*        G   9  21.070 -25.895  16.810
   69    H4*    G   9           H4*        G   9  20.413 -24.138  18.255
   70    H3*    G   9           H3*        G   9  23.092 -24.008  18.980
   71    H2*    G   9           H2*        G   9  22.937 -25.788  20.389
   72   2HO*    G   9          2HO*        G   9  22.751 -24.854  22.625
   73    H1*    G   9           H1*        G   9  20.310 -24.583  21.291
   74    H8     G   9           H8         G   9  19.309 -25.997  23.277
   75    H1     G   9           H1         G   9  23.193 -30.938  22.180
   76   1H2     G   9          1H2         G   9  24.252 -29.075  19.425
   77   2H2     G   9          2H2         G   9  24.409 -30.549  20.355
   78   1H5*    C  10          1H5*        C  10  22.135 -23.042  22.566
   79   2H5*    C  10          2H5*        C  10  21.233 -21.863  23.481
   80    H4*    C  10           H4*        C  10  23.155 -22.015  24.909
   81    H3*    C  10           H3*        C  10  24.627 -20.303  22.853
   82    H2*    C  10           H2*        C  10  26.238 -20.204  24.366
   83   2HO*    C  10          2HO*        C  10  24.217 -21.065  26.079
   84    H1*    C  10           H1*        C  10  26.157 -22.939  24.690
   85   1H4     C  10          1H4         C  10  29.090 -23.947  19.093
   86   2H4     C  10          2H4         C  10  30.417 -23.557  20.181
   87    H5     C  10           H5         C  10  26.801 -23.567  19.630
   88    H6     C  10           H6         C  10  25.273 -23.081  21.250
   89   1H5*    C  11          1H5*        C  11  23.840 -17.907  25.896
   90   2H5*    C  11          2H5*        C  11  23.635 -16.166  26.095
   91    H4*    C  11           H4*        C  11  25.900 -16.840  26.802
   92    H3*    C  11           H3*        C  11  25.942 -15.410  24.118
   93    H2*    C  11           H2*        C  11  28.314 -15.500  24.244
   94   2HO*    C  11          2HO*        C  11  29.380 -16.015  26.184
   95    H1*    C  11           H1*        C  11  28.321 -18.034  25.492
   96   1H4     C  11          1H4         C  11  29.050 -20.551  19.836
   97   2H4     C  11          2H4         C  11  30.600 -20.109  20.375
   98    H5     C  11           H5         C  11  26.899 -19.723  20.922
   99    H6     C  11           H6         C  11  26.183 -18.327  22.618
  100   1H5*    G  12          1H5*        G  12  27.585 -12.257  26.416
  101   2H5*    G  12          2H5*        G  12  27.179 -10.597  25.860
  102    H4*    G  12           H4*        G  12  29.677 -11.266  25.657
  103    H3*    G  12           H3*        G  12  28.376 -10.839  22.886
  104    H2*    G  12           H2*        G  12  30.402 -11.055  22.029
  105   2HO*    G  12          2HO*        G  12  31.302 -10.495  24.575
  106    H1*    G  12           H1*        G  12  31.258 -13.088  23.465
  107    H8     G  12           H8         G  12  27.775 -14.034  22.693
  108    H1     G  12           H1         G  12  32.415 -16.425  18.914
  109   1H2     G  12          1H2         G  12  34.404 -14.004  20.499
  110   2H2     G  12          2H2         G  12  34.321 -15.335  19.361
  111   1H5*    A  13          1H5*        A  13  32.440  -7.146  21.852
  112   2H5*    A  13          2H5*        A  13  31.584  -8.047  20.594
  113    H4*    A  13           H4*        A  13  33.789  -8.424  20.067
  114    H3*    A  13           H3*        A  13  32.423 -10.616  21.275
  115    H2*    A  13           H2*        A  13  33.890 -11.412  22.772
  116   2HO*    A  13          2HO*        A  13  35.153 -11.745  20.388
  117    H1*    A  13           H1*        A  13  36.212  -9.786  22.241
  118    H8     A  13           H8         A  13  33.251 -10.391  24.694
  119   1H6     A  13          1H6         A  13  35.552  -9.184  28.729
  120   2H6     A  13          2H6         A  13  37.113  -8.467  29.056
  121    H2     A  13           H2         A  13  39.101  -7.819  25.075
  122   1H5*    C  14          1H5*        C  14  35.317 -13.087  18.865
  123   2H5*    C  14          2H5*        C  14  36.556 -12.803  17.661
  124    H4*    C  14           H4*        C  14  35.678 -14.677  16.755
  125    H3*    C  14           H3*        C  14  33.958 -12.420  15.748
  126    H2*    C  14           H2*        C  14  32.256 -13.984  14.971
  127   2HO*    C  14          2HO*        C  14  32.754 -16.107  14.648
  128    H1*    C  14           H1*        C  14  32.510 -15.795  16.816
  129   1H4     C  14          1H4         C  14  28.508 -12.157  20.251
  130   2H4     C  14          2H4         C  14  27.500 -13.206  19.288
  131    H5     C  14           H5         C  14  30.921 -11.958  19.863
  132    H6     C  14           H6         C  14  32.764 -12.687  18.442
  133   1H5*    C  15          1H5*        C  15  34.271 -14.751  11.451
  134   2H5*    C  15          2H5*        C  15  34.263 -13.248  10.525
  135    H4*    C  15           H4*        C  15  32.532 -15.112  10.000
  136    H3*    C  15           H3*        C  15  31.704 -12.218  10.207
  137    H2*    C  15           H2*        C  15  29.589 -12.852   9.590
  138   2HO*    C  15          2HO*        C  15  29.308 -14.911   8.853
  139    H1*    C  15           H1*        C  15  29.368 -15.149  11.044
  140   1H4     C  15          1H4         C  15  28.316 -11.599  16.344
  141   2H4     C  15          2H4         C  15  26.746 -12.167  15.843
  142    H5     C  15           H5         C  15  30.229 -11.801  15.141
  143    H6     C  15           H6         C  15  31.305 -12.574  13.068
  144   1H5*    A  16          1H5*        A  16  29.066 -13.709   6.554
  145   2H5*    A  16          2H5*        A  16  29.143 -12.153   5.797
  146    H4*    A  16           H4*        A  16  26.836 -13.005   6.470
  147    H3*    A  16           H3*        A  16  27.620 -10.224   7.421
  148    H2*    A  16           H2*        A  16  25.334 -10.274   8.574
  149   2HO*    A  16          2HO*        A  16  24.892 -12.160   6.446
  150    H1*    A  16           H1*        A  16  25.224 -12.750   9.018
  151    H8     A  16           H8         A  16  28.436 -11.206  10.482
  152   1H6     A  16          1H6         A  16  26.711 -10.535  14.859
  153   2H6     A  16          2H6         A  16  25.080 -10.434  15.541
  154    H2     A  16           H2         A  16  22.249 -11.147  12.135
  155   1H5*    C  17          1H5*        C  17  24.343  -9.739   6.072
  156   2H5*    C  17          2H5*        C  17  23.909  -8.210   5.304
  157    H4*    C  17           H4*        C  17  22.542  -8.546   7.274
  158    H3*    C  17           H3*        C  17  24.666  -6.455   7.755
  159    H2*    C  17           H2*        C  17  23.438  -5.942   9.764
  160   2HO*    C  17          2HO*        C  17  21.439  -7.074  10.152
  161    H1*    C  17           H1*        C  17  22.833  -8.507  10.260
  162   1H4     C  17          1H4         C  17  28.148  -8.599  13.901
  163   2H4     C  17          2H4         C  17  26.811  -8.116  14.883
  164    H5     C  17           H5         C  17  27.990  -8.672  11.223
  165    H6     C  17           H6         C  17  26.383  -8.556   9.465
  166   1H5*    U  18          1H5*        U  18  21.221  -1.939   8.422
  167   2H5*    U  18          2H5*        U  18  22.942  -2.160   8.617
  168    H4*    U  18           H4*        U  18  20.716  -3.285  10.383
  169    H3*    U  18           H3*        U  18  21.985  -0.792  10.592
  170    H2*    U  18           H2*        U  18  23.667  -1.491  12.288
  171   2HO*    U  18          2HO*        U  18  21.057  -1.459  13.277
  172    H1*    U  18           H1*        U  18  21.970  -3.639  12.962
  173    H3     U  18           H3         U  18  25.306  -4.494  15.870
  174    H5     U  18           H5         U  18  26.575  -5.594  12.039
  175    H6     U  18           H6         U  18  24.847  -4.322  11.143
  176   1H5*    U  19          1H5*        U  19  18.231  -2.592  12.217
  177   2H5*    U  19          2H5*        U  19  16.914  -1.720  11.511
  178    H4*    U  19           H4*        U  19  16.124  -2.540  13.751
  179    H3*    U  19           H3*        U  19  15.898   0.273  13.566
  180    H2*    U  19           H2*        U  19  18.357   0.560  14.442
  181   2HO*    U  19          2HO*        U  19  16.447   0.794  16.588
  182    H1*    U  19           H1*        U  19  17.224  -1.225  16.559
  183    H3     U  19           H3         U  19  20.747  -1.253  19.336
  184    H5     U  19           H5         U  19  22.518  -0.553  15.555
  185    H6     U  19           H6         U  19  20.410  -0.516  14.634
  186   1H5*    A  20          1H5*        A  20  14.319  -1.288  11.798
  187   2H5*    A  20          2H5*        A  20  12.662  -1.861  12.085
  188    H4*    A  20           H4*        A  20  13.891  -3.286  10.367
  189    H3*    A  20           H3*        A  20  13.155  -4.502  13.077
  190    H2*    A  20           H2*        A  20  13.989  -6.537  12.513
  191   2HO*    A  20          2HO*        A  20  13.949  -7.268  10.491
  192    H1*    A  20           H1*        A  20  16.068  -5.610  10.892
  193    H8     A  20           H8         A  20  14.774  -5.925  14.478
  194   1H6     A  20          1H6         A  20  18.973  -6.027  16.850
  195   2H6     A  20          2H6         A  20  20.634  -5.844  16.344
  196    H2     A  20           H2         A  20  20.574  -5.167  11.895
  197   1H5*    A  21          1H5*        A  21  12.389  -7.105   9.249
  198   2H5*    A  21          2H5*        A  21  10.889  -7.968   9.646
  199    H4*    A  21           H4*        A  21  12.579  -9.588   8.901
  200    H3*    A  21           H3*        A  21  11.646  -9.569  11.758
  201    H2*    A  21           H2*        A  21  13.454 -10.685  12.614
  202   2HO*    A  21          2HO*        A  21  13.780 -12.099  10.217
  203    H1*    A  21           H1*        A  21  15.186 -10.766  10.466
  204    H8     A  21           H8         A  21  15.008  -9.875  13.942
  205   1H6     A  21          1H6         A  21  20.562  -7.340  13.155
  206   2H6     A  21          2H6         A  21  19.434  -7.962  14.336
  207    H2     A  21           H2         A  21  18.725  -7.867   9.127
  208   1H5*    A  22          1H5*        A  22  12.271 -14.841   8.246
  209   2H5*    A  22          2H5*        A  22  13.698 -14.861   9.283
  210    H4*    A  22           H4*        A  22  13.228 -12.966   6.901
  211    H3*    A  22           H3*        A  22  15.021 -15.318   7.584
  212    H2*    A  22           H2*        A  22  16.944 -14.297   7.069
  213   2HO*    A  22          2HO*        A  22  16.943 -12.784   5.193
  214    H1*    A  22           H1*        A  22  15.929 -11.608   6.682
  215    H8     A  22           H8         A  22  16.322 -12.670  10.250
  216   1H6     A  22          1H6         A  22  22.071 -10.525   9.964
  217   2H6     A  22          2H6         A  22  20.854 -11.196  11.026
  218    H2     A  22           H2         A  22  20.443 -10.412   5.979
  219   1H5*    A  23          1H5*        A  23  16.706 -15.002   4.164
  220   2H5*    A  23          2H5*        A  23  16.391 -16.471   3.222
  221    H4*    A  23           H4*        A  23  18.673 -16.403   3.105
  222    H3*    A  23           H3*        A  23  18.272 -17.758   5.853
  223    H2*    A  23           H2*        A  23  20.841 -18.131   5.733
  224   2HO*    A  23          2HO*        A  23  20.704 -18.436   3.459
  225    H1*    A  23           H1*        A  23  21.215 -15.510   4.945
  226    H8     A  23           H8         A  23  18.410 -15.833   7.656
  227   1H6     A  23          1H6         A  23  21.174 -14.356  11.401
  228   2H6     A  23          2H6         A  23  22.835 -13.868  11.484
  229    H2     A  23           H2         A  23  24.621 -14.436   7.399
  230   1H5*    A  24          1H5*        A  24  21.257 -21.844   4.354
  231   2H5*    A  24          2H5*        A  24  20.198 -22.509   5.613
  232    H4*    A  24           H4*        A  24  22.755 -22.468   6.187
  233    H3*    A  24           H3*        A  24  20.630 -21.873   8.086
  234    H2*    A  24           H2*        A  24  21.966 -20.522   9.230
  235   2HO*    A  24          2HO*        A  24  23.683 -21.454  10.232
  236    H1*    A  24           H1*        A  24  24.385 -20.908   7.495
  237    H8     A  24           H8         A  24  21.982 -18.322   9.204
  238   1H6     A  24          1H6         A  24  26.935 -14.774   9.574
  239   2H6     A  24          2H6         A  24  25.298 -15.022  10.127
  240    H2     A  24           H2         A  24  27.828 -17.983   6.667
  241   1H5*    C  25          1H5*        C  25  19.470 -25.648   9.464
  242   2H5*    C  25          2H5*        C  25  20.554 -24.247   9.454
  243    H4*    C  25           H4*        C  25  21.125 -25.703  11.315
  244    H3*    C  25           H3*        C  25  23.016 -24.835   9.554
  245    H2*    C  25           H2*        C  25  22.973 -26.485   8.104
  246   2HO*    C  25          2HO*        C  25  25.070 -26.560   9.523
  247    H1*    C  25           H1*        C  25  22.796 -28.704  10.125
  248   1H4     C  25          1H4         C  25  19.865 -32.542   6.085
  249   2H4     C  25          2H4         C  25  20.031 -31.396   4.774
  250    H5     C  25           H5         C  25  21.180 -29.295   5.042
  251    H6     C  25           H6         C  25  21.712 -27.552   6.662
  252   1H5*    A  26          1H5*        A  26  27.696 -25.600  11.368
  253   2H5*    A  26          2H5*        A  26  27.230 -23.993  11.891
  254    H4*    A  26           H4*        A  26  28.331 -24.846   9.210
  255    H3*    A  26           H3*        A  26  29.338 -23.430  11.586
  256    H2*    A  26           H2*        A  26  29.916 -21.441  10.635
  257   2HO*    A  26          2HO*        A  26  31.245 -22.741   9.076
  258    H1*    A  26           H1*        A  26  28.257 -21.268   8.426
  259    H8     A  26           H8         A  26  25.884 -21.973  11.117
  260   1H6     A  26          1H6         A  26  26.934 -16.345  13.442
  261   2H6     A  26          2H6         A  26  25.938 -17.774  13.571
  262    H2     A  26           H2         A  26  30.011 -17.185  10.269
  263   1H5*    C  27          1H5*        C  27  34.811 -24.441  11.703
  264   2H5*    C  27          2H5*        C  27  33.440 -24.033  12.817
  265    H4*    C  27           H4*        C  27  34.288 -22.239  10.462
  266    H3*    C  27           H3*        C  27  35.575 -21.503  13.208
  267    H2*    C  27           H2*        C  27  34.836 -19.456  12.873
  268   2HO*    C  27          2HO*        C  27  36.463 -19.202  11.304
  269    H1*    C  27           H1*        C  27  33.342 -20.042  10.365
  270   1H4     C  27          1H4         C  27  30.434 -15.084  13.085
  271   2H4     C  27          2H4         C  27  29.333 -16.210  13.850
  272    H5     C  27           H5         C  27  29.787 -18.505  14.031
  273    H6     C  27           H6         C  27  30.898 -20.406  12.898
  274   1H5*    C  28          1H5*        C  28  38.845 -21.105  14.587
  275   2H5*    C  28          2H5*        C  28  37.133 -20.876  14.991
  276    H4*    C  28           H4*        C  28  39.285 -18.726  14.875
  277    H3*    C  28           H3*        C  28  38.002 -20.320  17.003
  278    H2*    C  28           H2*        C  28  37.147 -18.612  18.252
  279   2HO*    C  28          2HO*        C  28  38.852 -17.484  18.850
  280    H1*    C  28           H1*        C  28  36.904 -16.507  16.371
  281   1H4     C  28          1H4         C  28  31.191 -19.734  17.204
  282   2H4     C  28          2H4         C  28  31.158 -18.418  18.349
  283    H5     C  28           H5         C  28  32.994 -20.296  15.867
  284    H6     C  28           H6         C  28  35.234 -19.588  15.037
  285   1H5*    G  29          1H5*        G  29  41.137 -18.696  19.303
  286   2H5*    G  29          2H5*        G  29  41.999 -19.728  20.454
  287    H4*    G  29           H4*        G  29  40.498 -17.852  21.389
  288    H3*    G  29           H3*        G  29  39.646 -20.640  22.290
  289    H2*    G  29           H2*        G  29  37.892 -19.670  23.471
  290   2HO*    G  29          2HO*        G  29  39.639 -17.560  23.590
  291    H1*    G  29           H1*        G  29  37.384 -17.570  21.659
  292    H8     G  29           H8         G  29  37.426 -20.577  19.363
  293    H1     G  29           H1         G  29  31.644 -19.107  21.755
  294   1H2     G  29          1H2         G  29  33.652 -17.288  24.227
  295   2H2     G  29          2H2         G  29  32.051 -17.716  23.676
  296   1H5*    G  30          1H5*        G  30  40.362 -22.972  25.554
  297   2H5*    G  30          2H5*        G  30  40.299 -22.468  23.843
  298    H4*    G  30           H4*        G  30  38.819 -20.585  25.408
  299    H3*    G  30           H3*        G  30  38.317 -23.452  26.209
  300    H2*    G  30           H2*        G  30  36.064 -23.293  25.812
  301   2HO*    G  30          2HO*        G  30  36.449 -20.994  27.198
  302    H1*    G  30           H1*        G  30  36.210 -20.769  24.372
  303    H8     G  30           H8         G  30  37.111 -23.104  21.563
  304    H1     G  30           H1         G  30  30.815 -22.677  22.457
  305   1H2     G  30          1H2         G  30  31.507 -21.448  25.660
  306   2H2     G  30          2H2         G  30  30.298 -21.878  24.463
  Start of MODEL    5
    1   1H5*    A   3          1H5*        A   3  25.917  -3.719  25.861
    2   2H5*    A   3          2H5*        A   3  24.255  -3.821  26.527
    3    H4*    A   3           H4*        A   3  24.087  -2.239  24.825
    4    H3*    A   3           H3*        A   3  23.493  -4.768  23.131
    5    H2*    A   3           H2*        A   3  22.991  -3.273  21.397
    6   2HO*    A   3          2HO*        A   3  22.505  -1.187  21.672
    7    H1*    A   3           H1*        A   3  25.401  -1.807  21.794
    8    H8     A   3           H8         A   3  26.793  -4.752  22.156
    9   1H6     A   3          1H6         A   3  27.539  -5.850  17.533
   10   2H6     A   3          2H6         A   3  26.747  -5.361  16.025
   11    H2     A   3           H2         A   3  23.466  -2.530  17.234
   12   1H5*    G   4          1H5*        G   4  20.482  -3.620  22.797
   13   2H5*    G   4          2H5*        G   4  18.811  -4.106  23.131
   14    H4*    G   4           H4*        G   4  18.938  -4.009  20.812
   15    H3*    G   4           H3*        G   4  20.139  -6.936  21.010
   16    H2*    G   4           H2*        G   4  20.101  -6.895  18.587
   17   2HO*    G   4          2HO*        G   4  19.098  -5.229  17.485
   18    H1*    G   4           H1*        G   4  21.088  -4.388  18.469
   19    H8     G   4           H8         G   4  23.296  -5.795  21.009
   20    H1     G   4           H1         G   4  24.386  -7.296  14.844
   21   1H2     G   4          1H2         G   4  20.911  -6.281  14.725
   22   2H2     G   4          2H2         G   4  22.286  -6.863  13.827
   23   1H5*    U   5          1H5*        U   5  15.917  -8.385  19.436
   24   2H5*    U   5          2H5*        U   5  15.819 -10.073  19.832
   25    H4*    U   5           H4*        U   5  15.818  -9.269  17.291
   26    H3*    U   5           H3*        U   5  17.951 -11.453  17.874
   27    H2*    U   5           H2*        U   5  18.335 -11.444  15.583
   28   2HO*    U   5          2HO*        U   5  17.121 -10.370  14.121
   29    H1*    U   5           H1*        U   5  18.537  -8.850  15.333
   30    H3     U   5           H3         U   5  22.643 -10.308  15.011
   31    H5     U   5           H5         U   5  22.147  -9.100  19.008
   32    H6     U   5           H6         U   5  19.698  -9.057  18.622
   33   1H5*    G   6          1H5*        G   6  15.829 -12.908  15.289
   34   2H5*    G   6          2H5*        G   6  15.111 -14.514  15.076
   35    H4*    G   6           H4*        G   6  16.734 -14.123  13.342
   36    H3*    G   6           H3*        G   6  17.856 -15.916  15.504
   37    H2*    G   6           H2*        G   6  19.824 -16.130  14.192
   38   2HO*    G   6          2HO*        G   6  18.064 -15.498  12.150
   39    H1*    G   6           H1*        G   6  19.802 -13.641  13.231
   40    H8     G   6           H8         G   6  19.626 -13.232  16.994
   41    H1     G   6           H1         G   6  25.503 -13.655  14.507
   42   1H2     G   6          1H2         G   6  23.838 -15.086  11.726
   43   2H2     G   6          2H2         G   6  25.362 -14.593  12.437
   44   1H5*    G   7          1H5*        G   7  18.830 -19.684  16.104
   45   2H5*    G   7          2H5*        G   7  18.393 -17.963  16.109
   46    H4*    G   7           H4*        G   7  20.133 -18.308  13.916
   47    H3*    G   7           H3*        G   7  20.970 -20.195  16.082
   48    H2*    G   7           H2*        G   7  22.765 -18.975  16.763
   49   2HO*    G   7          2HO*        G   7  23.255 -19.183  14.035
   50    H1*    G   7           H1*        G   7  22.568 -16.863  15.010
   51    H8     G   7           H8         G   7  20.781 -15.808  18.082
   52    H1     G   7           H1         G   7  27.210 -15.040  18.156
   53   1H2     G   7          1H2         G   7  26.917 -17.445  15.469
   54   2H2     G   7          2H2         G   7  27.958 -16.447  16.457
   55   1H5*   CH   8          1H5*       CH   8  22.917 -24.258  15.197
   56   2H5*   CH   8          2H5*       CH   8  22.293 -22.784  15.986
   57    H4*   CH   8           H4*       CH   8  25.115 -22.977  14.594
   58    H3*   CH   8           H3*       CH   8  24.843 -23.506  17.755
   59    H2*   CH   8           H2*       CH   8  27.147 -22.751  17.675
   60   2HO*   CH   8          2HO*       CH   8  28.194 -22.394  15.548
   61    H1*   CH   8           H1*       CH   8  26.873 -21.212  15.651
   62    HN3   CH   8           HN3       CH   8  29.022 -18.746  18.624
   63   1H4    CH   8          1H4        CH   8  26.720 -17.115  20.649
   64   2H4    CH   8          2H4        CH   8  28.389 -17.104  20.277
   65    H5    CH   8           H5        CH   8  25.010 -18.622  19.944
   66    H6    CH   8           H6        CH   8  24.459 -20.317  18.212
   67   1H5*    G   9          1H5*        G   9  22.817 -26.929  18.648
   68   2H5*    G   9          2H5*        G   9  21.461 -26.061  17.890
   69    H4*    G   9           H4*        G   9  21.297 -24.612  19.716
   70    H3*    G   9           H3*        G   9  24.184 -24.604  19.545
   71    H2*    G   9           H2*        G   9  24.891 -25.454  21.582
   72   2HO*    G   9          2HO*        G   9  23.123 -23.701  22.464
   73    H1*    G   9           H1*        G   9  22.981 -27.057  22.413
   74    H8     G   9           H8         G   9  22.948 -29.414  20.915
   75    H1     G   9           H1         G   9  27.896 -27.055  17.660
   76   1H2     G   9          1H2         G   9  26.935 -23.992  19.017
   77   2H2     G   9          2H2         G   9  28.049 -24.867  17.991
   78   1H5*    C  10          1H5*        C  10  21.859 -23.149  23.875
   79   2H5*    C  10          2H5*        C  10  20.986 -21.663  24.180
   80    H4*    C  10           H4*        C  10  22.795 -21.748  25.846
   81    H3*    C  10           H3*        C  10  24.282 -20.136  23.685
   82    H2*    C  10           H2*        C  10  25.877 -19.874  25.181
   83   2HO*    C  10          2HO*        C  10  25.676 -20.593  27.282
   84    H1*    C  10           H1*        C  10  25.883 -22.587  25.732
   85   1H4     C  10          1H4         C  10  28.821 -23.985  20.211
   86   2H4     C  10          2H4         C  10  30.126 -23.532  21.304
   87    H5     C  10           H5         C  10  26.476 -23.548  20.680
   88    H6     C  10           H6         C  10  24.929 -22.970  22.284
   89   1H5*    C  11          1H5*        C  11  23.829 -17.687  26.583
   90   2H5*    C  11          2H5*        C  11  23.791 -15.925  26.678
   91    H4*    C  11           H4*        C  11  25.993 -16.808  27.404
   92    H3*    C  11           H3*        C  11  26.086 -15.380  24.725
   93    H2*    C  11           H2*        C  11  28.453 -15.675  24.779
   94   2HO*    C  11          2HO*        C  11  29.516 -16.314  26.687
   95    H1*    C  11           H1*        C  11  28.296 -18.191  26.026
   96   1H4     C  11          1H4         C  11  28.456 -20.800  20.334
   97   2H4     C  11          2H4         C  11  30.076 -20.551  20.788
   98    H5     C  11           H5         C  11  26.518 -19.768  21.492
   99    H6     C  11           H6         C  11  25.998 -18.275  23.215
  100   1H5*    G  12          1H5*        G  12  27.987 -12.354  26.948
  101   2H5*    G  12          2H5*        G  12  27.691 -10.676  26.394
  102    H4*    G  12           H4*        G  12  30.096 -11.506  26.059
  103    H3*    G  12           H3*        G  12  28.693 -11.170  23.328
  104    H2*    G  12           H2*        G  12  30.750 -11.455  22.443
  105   2HO*    G  12          2HO*        G  12  31.658 -10.948  25.031
  106    H1*    G  12           H1*        G  12  31.453 -13.466  23.951
  107    H8     G  12           H8         G  12  27.965 -14.288  23.141
  108    H1     G  12           H1         G  12  32.416 -16.828  19.453
  109   1H2     G  12          1H2         G  12  34.631 -14.585  20.946
  110   2H2     G  12          2H2         G  12  34.411 -15.903  19.802
  111   1H5*    A  13          1H5*        A  13  31.393  -7.648  20.829
  112   2H5*    A  13          2H5*        A  13  30.780  -9.138  20.104
  113    H4*    A  13           H4*        A  13  33.043  -8.886  19.254
  114    H3*    A  13           H3*        A  13  32.543 -11.010  21.246
  115    H2*    A  13           H2*        A  13  34.395 -10.583  22.433
  116   2HO*    A  13          2HO*        A  13  35.293 -11.787  20.042
  117    H1*    A  13           H1*        A  13  35.464  -9.012  20.046
  118    H8     A  13           H8         A  13  34.974  -7.526  23.444
  119   1H6     A  13          1H6         A  13  41.038  -7.923  24.408
  120   2H6     A  13          2H6         A  13  39.524  -7.300  25.022
  121    H2     A  13           H2         A  13  40.077 -10.175  20.634
  122   1H5*    C  14          1H5*        C  14  34.746 -13.483  18.973
  123   2H5*    C  14          2H5*        C  14  36.114 -13.584  17.954
  124    H4*    C  14           H4*        C  14  35.351 -15.483  17.142
  125    H3*    C  14           H3*        C  14  33.697 -13.406  15.856
  126    H2*    C  14           H2*        C  14  31.879 -14.899  15.334
  127   2HO*    C  14          2HO*        C  14  32.237 -17.055  15.112
  128    H1*    C  14           H1*        C  14  32.037 -16.637  17.303
  129   1H4     C  14          1H4         C  14  28.446 -12.590  20.727
  130   2H4     C  14          2H4         C  14  27.352 -13.592  19.799
  131    H5     C  14           H5         C  14  30.852 -12.600  20.275
  132    H6     C  14           H6         C  14  32.553 -13.490  18.810
  133   1H5*    C  15          1H5*        C  15  34.406 -14.274  11.122
  134   2H5*    C  15          2H5*        C  15  33.684 -12.677  10.955
  135    H4*    C  15           H4*        C  15  32.522 -15.190  10.388
  136    H3*    C  15           H3*        C  15  31.139 -12.512  10.720
  137    H2*    C  15           H2*        C  15  29.235 -13.661  10.069
  138   2HO*    C  15          2HO*        C  15  29.401 -15.430   9.064
  139    H1*    C  15           H1*        C  15  29.561 -15.833  11.741
  140   1H4     C  15          1H4         C  15  28.078 -12.191  16.900
  141   2H4     C  15          2H4         C  15  26.510 -12.683  16.333
  142    H5     C  15           H5         C  15  29.998 -12.494  15.891
  143    H6     C  15           H6         C  15  31.174 -13.239  13.861
  144   1H5*    A  16          1H5*        A  16  29.389 -13.528   7.294
  145   2H5*    A  16          2H5*        A  16  29.068 -12.153   6.368
  146    H4*    A  16           H4*        A  16  27.002 -13.332   6.858
  147    H3*    A  16           H3*        A  16  27.182 -10.627   8.217
  148    H2*    A  16           H2*        A  16  24.890 -11.175   9.140
  149   2HO*    A  16          2HO*        A  16  23.670 -12.763   8.238
  150    H1*    A  16           H1*        A  16  25.292 -13.580   9.602
  151    H8     A  16           H8         A  16  28.379 -11.869  11.009
  152   1H6     A  16          1H6         A  16  26.661 -10.549  15.164
  153   2H6     A  16          2H6         A  16  25.044 -10.242  15.812
  154    H2     A  16           H2         A  16  22.194 -11.242  12.505
  155   1H5*    C  17          1H5*        C  17  24.344 -10.234   6.370
  156   2H5*    C  17          2H5*        C  17  23.741  -8.854   5.447
  157    H4*    C  17           H4*        C  17  22.351  -9.199   7.406
  158    H3*    C  17           H3*        C  17  24.111  -6.744   7.524
  159    H2*    C  17           H2*        C  17  23.188  -6.173   9.594
  160   2HO*    C  17          2HO*        C  17  21.233  -7.210  10.316
  161    H1*    C  17           H1*        C  17  22.575  -8.719  10.367
  162   1H4     C  17          1H4         C  17  27.815  -8.479  14.054
  163   2H4     C  17          2H4         C  17  26.477  -7.894  14.975
  164    H5     C  17           H5         C  17  27.684  -8.778  11.414
  165    H6     C  17           H6         C  17  26.095  -8.802   9.646
  166   1H5*    U  18          1H5*        U  18  20.553  -3.144   7.645
  167   2H5*    U  18          2H5*        U  18  22.172  -2.451   7.703
  168    H4*    U  18           H4*        U  18  20.261  -3.278   9.897
  169    H3*    U  18           H3*        U  18  21.532  -0.768   9.407
  170    H2*    U  18           H2*        U  18  23.222  -1.048  11.261
  171   2HO*    U  18          2HO*        U  18  21.714  -1.461  13.263
  172    H1*    U  18           H1*        U  18  21.618  -3.038  12.450
  173    H3     U  18           H3         U  18  24.900  -3.905  15.272
  174    H5     U  18           H5         U  18  26.094  -5.244  11.464
  175    H6     U  18           H6         U  18  24.411  -3.964  10.508
  176   1H5*    U  19          1H5*        U  19  18.169  -2.124  12.059
  177   2H5*    U  19          2H5*        U  19  16.964  -1.062  11.373
  178    H4*    U  19           H4*        U  19  16.167  -1.798  13.667
  179    H3*    U  19           H3*        U  19  16.157   0.994  13.359
  180    H2*    U  19           H2*        U  19  18.672   1.139  14.143
  181   2HO*    U  19          2HO*        U  19  17.114   2.661  15.133
  182    H1*    U  19           H1*        U  19  17.508  -0.446  16.388
  183    H3     U  19           H3         U  19  21.172  -0.427  18.975
  184    H5     U  19           H5         U  19  22.789  -0.153  15.074
  185    H6     U  19           H6         U  19  20.629  -0.140  14.238
  186   1H5*    A  20          1H5*        A  20  13.391  -1.011  12.053
  187   2H5*    A  20          2H5*        A  20  12.087  -1.704  13.043
  188    H4*    A  20           H4*        A  20  13.064  -3.320  11.265
  189    H3*    A  20           H3*        A  20  13.079  -3.918  14.246
  190    H2*    A  20           H2*        A  20  14.203  -5.855  14.018
  191   2HO*    A  20          2HO*        A  20  14.252  -6.939  11.985
  192    H1*    A  20           H1*        A  20  15.667  -5.194  11.679
  193    H8     A  20           H8         A  20  15.232  -4.534  15.447
  194   1H6     A  20          1H6         A  20  21.329  -4.379  15.923
  195   2H6     A  20          2H6         A  20  19.818  -4.323  16.793
  196    H2     A  20           H2         A  20  20.391  -4.788  11.619
  197   1H5*    A  21          1H5*        A  21  10.202  -7.772  10.893
  198   2H5*    A  21          2H5*        A  21  11.045  -7.529  12.440
  199    H4*    A  21           H4*        A  21  12.173  -8.927   9.928
  200    H3*    A  21           H3*        A  21  11.508 -10.004  12.675
  201    H2*    A  21           H2*        A  21  13.642 -10.489  12.904
  202   2HO*    A  21          2HO*        A  21  12.972 -12.111  10.719
  203    H1*    A  21           H1*        A  21  14.264  -9.603   9.998
  204    H8     A  21           H8         A  21  15.392  -9.440  13.730
  205   1H6     A  21          1H6         A  21  19.869  -7.864  13.110
  206   2H6     A  21          2H6         A  21  20.895  -7.682  11.707
  207    H2     A  21           H2         A  21  18.444  -8.859   8.143
  208   1H5*    A  22          1H5*        A  22  12.631 -14.704   8.850
  209   2H5*    A  22          2H5*        A  22  13.395 -13.713  10.080
  210    H4*    A  22           H4*        A  22  13.232 -12.580   7.315
  211    H3*    A  22           H3*        A  22  14.700 -15.082   8.135
  212    H2*    A  22           H2*        A  22  16.744 -14.237   7.987
  213   2HO*    A  22          2HO*        A  22  17.357 -14.210   5.978
  214    H1*    A  22           H1*        A  22  15.946 -11.571   7.013
  215    H8     A  22           H8         A  22  16.292 -11.763  10.682
  216   1H6     A  22          1H6         A  22  22.360 -10.839   9.942
  217   2H6     A  22          2H6         A  22  21.091 -10.981  11.137
  218    H2     A  22           H2         A  22  20.627 -11.476   6.057
  219   1H5*    A  23          1H5*        A  23  16.656 -14.929   4.513
  220   2H5*    A  23          2H5*        A  23  16.230 -16.422   3.659
  221    H4*    A  23           H4*        A  23  18.524 -16.493   3.540
  222    H3*    A  23           H3*        A  23  18.030 -17.736   6.323
  223    H2*    A  23           H2*        A  23  20.585 -18.286   6.215
  224   2HO*    A  23          2HO*        A  23  21.555 -17.507   4.285
  225    H1*    A  23           H1*        A  23  21.124 -15.724   5.341
  226    H8     A  23           H8         A  23  18.298 -15.795   8.033
  227   1H6     A  23          1H6         A  23  21.095 -14.187  11.683
  228   2H6     A  23          2H6         A  23  22.804 -13.870  11.777
  229    H2     A  23           H2         A  23  24.586 -14.836   7.775
  230   1H5*    A  24          1H5*        A  24  19.377 -22.423   6.046
  231   2H5*    A  24          2H5*        A  24  19.847 -21.887   7.688
  232    H4*    A  24           H4*        A  24  21.188 -20.974   5.107
  233    H3*    A  24           H3*        A  24  21.645 -23.337   6.790
  234    H2*    A  24           H2*        A  24  23.226 -22.365   8.017
  235   2HO*    A  24          2HO*        A  24  24.859 -23.475   7.021
  236    H1*    A  24           H1*        A  24  23.544 -20.159   5.927
  237    H8     A  24           H8         A  24  22.335 -20.188   9.342
  238   1H6     A  24          1H6         A  24  26.571 -15.779  10.427
  239   2H6     A  24          2H6         A  24  25.090 -16.497  11.012
  240    H2     A  24           H2         A  24  27.596 -17.922   6.576
  241   1H5*    C  25          1H5*        C  25  21.770 -27.462   5.696
  242   2H5*    C  25          2H5*        C  25  21.346 -25.951   6.494
  243    H4*    C  25           H4*        C  25  22.680 -27.101   7.989
  244    H3*    C  25           H3*        C  25  23.409 -24.629   7.117
  245    H2*    C  25           H2*        C  25  25.176 -25.036   5.875
  246   2HO*    C  25          2HO*        C  25  27.157 -25.018   7.168
  247    H1*    C  25           H1*        C  25  26.109 -27.316   7.627
  248   1H4     C  25          1H4         C  25  29.980 -28.154   2.730
  249   2H4     C  25          2H4         C  25  28.637 -28.211   1.611
  250    H5     C  25           H5         C  25  26.372 -28.120   2.337
  251    H6     C  25           H6         C  25  24.885 -27.172   4.162
  252   1H5*    A  26          1H5*        A  26  26.314 -24.450  11.861
  253   2H5*    A  26          2H5*        A  26  24.933 -24.158  10.801
  254    H4*    A  26           H4*        A  26  26.998 -24.579   8.987
  255    H3*    A  26           H3*        A  26  28.121 -23.272  11.429
  256    H2*    A  26           H2*        A  26  28.919 -21.422  10.361
  257   2HO*    A  26          2HO*        A  26  30.151 -22.593   8.852
  258    H1*    A  26           H1*        A  26  27.124 -21.206   8.225
  259    H8     A  26           H8         A  26  24.622 -21.043  10.595
  260   1H6     A  26          1H6         A  26  27.146 -16.176  13.507
  261   2H6     A  26          2H6         A  26  25.779 -17.260  13.512
  262    H2     A  26           H2         A  26  30.094 -17.744  10.485
  263   1H5*    C  27          1H5*        C  27  31.789 -23.637   9.782
  264   2H5*    C  27          2H5*        C  27  32.964 -24.621  10.676
  265    H4*    C  27           H4*        C  27  33.851 -22.339  10.513
  266    H3*    C  27           H3*        C  27  32.630 -22.392  13.250
  267    H2*    C  27           H2*        C  27  33.856 -20.350  13.500
  268   2HO*    C  27          2HO*        C  27  35.774 -20.932  12.587
  269    H1*    C  27           H1*        C  27  33.317 -19.623  10.792
  270   1H4     C  27          1H4         C  27  28.737 -16.620  14.442
  271   2H4     C  27          2H4         C  27  30.012 -15.468  14.117
  272    H5     C  27           H5         C  27  28.991 -18.865  14.117
  273    H6     C  27           H6         C  27  30.138 -20.628  12.616
  274   1H5*    C  28          1H5*        C  28  37.512 -21.181  13.497
  275   2H5*    C  28          2H5*        C  28  37.744 -22.199  14.928
  276    H4*    C  28           H4*        C  28  38.656 -19.757  14.969
  277    H3*    C  28           H3*        C  28  37.055 -21.114  17.096
  278    H2*    C  28           H2*        C  28  36.951 -19.238  18.443
  279   2HO*    C  28          2HO*        C  28  39.049 -18.570  18.479
  280    H1*    C  28           H1*        C  28  36.613 -17.282  16.468
  281   1H4     C  28          1H4         C  28  30.925 -20.214  18.221
  282   2H4     C  28          2H4         C  28  31.045 -18.770  19.209
  283    H5     C  28           H5         C  28  32.562 -20.955  16.784
  284    H6     C  28           H6         C  28  34.682 -20.374  15.540
  285   1H5*    G  29          1H5*        G  29  40.559 -20.505  19.095
  286   2H5*    G  29          2H5*        G  29  41.352 -21.644  20.192
  287    H4*    G  29           H4*        G  29  40.214 -19.642  21.272
  288    H3*    G  29           H3*        G  29  38.844 -22.254  22.034
  289    H2*    G  29           H2*        G  29  37.486 -20.968  23.479
  290   2HO*    G  29          2HO*        G  29  37.938 -18.783  23.899
  291    H1*    G  29           H1*        G  29  37.143 -18.872  21.617
  292    H8     G  29           H8         G  29  36.715 -21.889  19.387
  293    H1     G  29           H1         G  29  31.300 -19.690  22.093
  294   1H2     G  29          1H2         G  29  33.654 -18.145  24.444
  295   2H2     G  29          2H2         G  29  31.979 -18.367  23.993
  296   1H5*    G  30          1H5*        G  30  40.161 -20.690  25.298
  297   2H5*    G  30          2H5*        G  30  40.404 -21.466  26.874
  298    H4*    G  30           H4*        G  30  38.272 -20.138  26.576
  299    H3*    G  30           H3*        G  30  38.068 -23.099  27.168
  300    H2*    G  30           H2*        G  30  35.736 -22.947  27.096
  301   2HO*    G  30          2HO*        G  30  34.682 -20.903  27.468
  302    H1*    G  30           H1*        G  30  35.729 -20.512  25.554
  303    H8     G  30           H8         G  30  36.812 -22.979  22.888
  304    H1     G  30           H1         G  30  30.479 -22.519  23.541
  305   1H2     G  30          1H2         G  30  31.098 -21.105  26.682
  306   2H2     G  30          2H2         G  30  29.922 -21.602  25.483
  Start of MODEL    6
    1   1H5*    A   3          1H5*        A   3  23.999  -5.571  26.503
    2   2H5*    A   3          2H5*        A   3  22.263  -5.969  26.786
    3    H4*    A   3           H4*        A   3  22.301  -4.006  25.495
    4    H3*    A   3           H3*        A   3  22.098  -6.123  23.211
    5    H2*    A   3           H2*        A   3  21.972  -4.329  21.731
    6   2HO*    A   3          2HO*        A   3  21.324  -2.351  22.261
    7    H1*    A   3           H1*        A   3  24.192  -3.010  22.845
    8    H8     A   3           H8         A   3  25.607  -6.035  22.931
    9   1H6     A   3          1H6         A   3  27.142  -6.295  18.375
   10   2H6     A   3          2H6         A   3  26.590  -5.531  16.871
   11    H2     A   3           H2         A   3  23.099  -2.939  17.997
   12   1H5*    G   4          1H5*        G   4  19.096  -4.841  22.542
   13   2H5*    G   4          2H5*        G   4  17.375  -5.193  22.443
   14    H4*    G   4           H4*        G   4  18.034  -4.763  20.256
   15    H3*    G   4           H3*        G   4  18.850  -7.851  20.150
   16    H2*    G   4           H2*        G   4  19.819  -7.428  18.052
   17   2HO*    G   4          2HO*        G   4  17.979  -5.316  18.001
   18    H1*    G   4           H1*        G   4  20.609  -4.896  18.536
   19    H8     G   4           H8         G   4  22.482  -6.749  21.135
   20    H1     G   4           H1         G   4  24.354  -7.362  15.037
   21   1H2     G   4          1H2         G   4  20.929  -6.288  14.632
   22   2H2     G   4          2H2         G   4  22.401  -6.766  13.846
   23   1H5*    U   5          1H5*        U   5  15.738  -8.233  15.189
   24   2H5*    U   5          2H5*        U   5  14.416  -9.328  15.813
   25    H4*    U   5           H4*        U   5  16.033 -10.839  15.792
   26    H3*    U   5           H3*        U   5  16.233  -9.515  18.477
   27    H2*    U   5           H2*        U   5  18.259  -8.919  17.642
   28   2HO*    U   5          2HO*        U   5  17.947 -10.081  19.752
   29    H1*    U   5           H1*        U   5  18.388 -11.489  16.497
   30    H3     U   5           H3         U   5  22.658 -10.459  14.802
   31    H5     U   5           H5         U   5  22.489 -10.647  19.066
   32    H6     U   5           H6         U   5  20.232 -10.397  18.927
   33   1H5*    G   6          1H5*        G   6  15.780 -12.861  14.961
   34   2H5*    G   6          2H5*        G   6  15.559 -14.605  15.041
   35    H4*    G   6           H4*        G   6  17.507 -13.534  13.688
   36    H3*    G   6           H3*        G   6  18.018 -15.826  15.616
   37    H2*    G   6           H2*        G   6  20.220 -15.827  14.763
   38   2HO*    G   6          2HO*        G   6  20.733 -14.634  12.847
   39    H1*    G   6           H1*        G   6  20.241 -13.232  14.095
   40    H8     G   6           H8         G   6  20.326 -13.261  17.937
   41    H1     G   6           H1         G   6  25.901 -13.522  14.767
   42   1H2     G   6          1H2         G   6  23.933 -14.539  12.021
   43   2H2     G   6          2H2         G   6  25.530 -14.171  12.618
   44   1H5*    G   7          1H5*        G   7  19.528 -19.490  15.483
   45   2H5*    G   7          2H5*        G   7  19.231 -17.755  15.758
   46    H4*    G   7           H4*        G   7  20.685 -17.935  13.336
   47    H3*    G   7           H3*        G   7  21.594 -20.141  15.093
   48    H2*    G   7           H2*        G   7  23.415 -19.080  15.973
   49   2HO*    G   7          2HO*        G   7  23.889 -18.893  13.245
   50    H1*    G   7           H1*        G   7  23.345 -16.725  14.583
   51    H8     G   7           H8         G   7  21.509 -16.082  17.728
   52    H1     G   7           H1         G   7  27.929 -15.382  18.025
   53   1H2     G   7          1H2         G   7  27.685 -17.354  14.991
   54   2H2     G   7          2H2         G   7  28.718 -16.512  16.122
   55   1H5*   CH   8          1H5*       CH   8  23.826 -23.894  13.385
   56   2H5*   CH   8          2H5*       CH   8  23.169 -22.712  14.540
   57    H4*   CH   8           H4*       CH   8  26.035 -22.630  13.172
   58    H3*   CH   8           H3*       CH   8  25.714 -23.417  16.274
   59    H2*   CH   8           H2*       CH   8  28.089 -22.781  16.172
   60   2HO*   CH   8          2HO*       CH   8  29.008 -22.193  14.088
   61    H1*   CH   8           H1*       CH   8  27.782 -20.973  14.487
   62    HN3   CH   8           HN3       CH   8  29.762 -19.036  17.906
   63   1H4    CH   8          1H4        CH   8  27.393 -17.781  20.124
   64   2H4    CH   8          2H4        CH   8  29.076 -17.709  19.793
   65    H5    CH   8           H5        CH   8  25.718 -19.159  19.105
   66    H6    CH   8           H6        CH   8  25.247 -20.493  17.051
   67   1H5*    G   9          1H5*        G   9  24.121 -23.921  17.791
   68   2H5*    G   9          2H5*        G   9  25.559 -24.876  18.221
   69    H4*    G   9           H4*        G   9  22.607 -25.519  18.616
   70    H3*    G   9           H3*        G   9  24.839 -24.605  20.304
   71    H2*    G   9           H2*        G   9  25.002 -26.373  21.765
   72   2HO*    G   9          2HO*        G   9  23.049 -26.503  22.654
   73    H1*    G   9           H1*        G   9  24.154 -28.502  20.314
   74    H8     G   9           H8         G   9  26.744 -25.638  19.913
   75    H1     G   9           H1         G   9  29.120 -31.529  19.485
   76   1H2     G   9          1H2         G   9  25.799 -32.565  19.707
   77   2H2     G   9          2H2         G   9  27.481 -33.021  19.555
   78   1H5*    C  10          1H5*        C  10  21.299 -23.532  24.478
   79   2H5*    C  10          2H5*        C  10  21.044 -21.827  23.914
   80    H4*    C  10           H4*        C  10  22.168 -22.026  26.230
   81    H3*    C  10           H3*        C  10  23.985 -20.720  24.141
   82    H2*    C  10           H2*        C  10  25.539 -20.411  25.774
   83   2HO*    C  10          2HO*        C  10  23.362 -20.939  27.489
   84    H1*    C  10           H1*        C  10  25.392 -23.103  26.565
   85   1H4     C  10          1H4         C  10  28.873 -24.773  21.762
   86   2H4     C  10          2H4         C  10  29.996 -23.807  22.713
   87    H5     C  10           H5         C  10  26.587 -24.936  22.285
   88    H6     C  10           H6         C  10  24.701 -24.026  23.512
   89   1H5*    C  11          1H5*        C  11  23.823 -18.729  27.127
   90   2H5*    C  11          2H5*        C  11  24.231 -17.117  27.732
   91    H4*    C  11           H4*        C  11  26.229 -18.639  27.587
   92    H3*    C  11           H3*        C  11  26.216 -16.180  25.810
   93    H2*    C  11           H2*        C  11  28.214 -16.859  24.843
   94   2HO*    C  11          2HO*        C  11  28.790 -17.448  27.431
   95    H1*    C  11           H1*        C  11  27.922 -19.607  25.747
   96   1H4     C  11          1H4         C  11  27.739 -21.104  19.667
   97   2H4     C  11          2H4         C  11  29.389 -20.964  20.048
   98    H5     C  11           H5         C  11  25.895 -20.250  21.123
   99    H6     C  11           H6         C  11  25.596 -19.048  23.090
  100   1H5*    G  12          1H5*        G  12  28.437 -12.205  26.654
  101   2H5*    G  12          2H5*        G  12  27.772 -13.511  25.584
  102    H4*    G  12           H4*        G  12  30.744 -13.294  26.485
  103    H3*    G  12           H3*        G  12  29.875 -11.805  23.872
  104    H2*    G  12           H2*        G  12  31.619 -12.658  22.833
  105   2HO*    G  12          2HO*        G  12  33.468 -13.537  23.898
  106    H1*    G  12           H1*        G  12  32.098 -14.861  24.078
  107    H8     G  12           H8         G  12  28.665 -15.428  23.056
  108    H1     G  12           H1         G  12  33.100 -17.390  19.041
  109   1H2     G  12          1H2         G  12  35.378 -15.464  20.881
  110   2H2     G  12          2H2         G  12  35.129 -16.572  19.538
  111   1H5*    A  13          1H5*        A  13  32.911  -8.848  22.533
  112   2H5*    A  13          2H5*        A  13  31.523  -9.567  21.712
  113    H4*    A  13           H4*        A  13  32.790 -10.295  19.910
  114    H3*    A  13           H3*        A  13  34.546 -11.368  21.935
  115    H2*    A  13           H2*        A  13  36.060  -9.662  21.977
  116   2HO*    A  13          2HO*        A  13  36.663 -11.119  19.602
  117    H1*    A  13           H1*        A  13  35.540  -8.803  19.133
  118    H8     A  13           H8         A  13  35.731  -7.589  22.835
  119   1H6     A  13          1H6         A  13  38.135  -3.490  22.043
  120   2H6     A  13          2H6         A  13  38.768  -2.730  20.600
  121    H2     A  13           H2         A  13  37.727  -5.418  17.152
  122   1H5*    C  14          1H5*        C  14  35.457 -13.966  19.076
  123   2H5*    C  14          2H5*        C  14  36.909 -14.124  18.164
  124    H4*    C  14           H4*        C  14  36.048 -15.683  16.870
  125    H3*    C  14           H3*        C  14  34.304 -13.386  16.101
  126    H2*    C  14           H2*        C  14  32.533 -14.839  15.304
  127   2HO*    C  14          2HO*        C  14  32.975 -16.925  14.764
  128    H1*    C  14           H1*        C  14  32.715 -16.807  16.964
  129   1H4     C  14          1H4         C  14  29.110 -13.335  20.933
  130   2H4     C  14          2H4         C  14  28.044 -14.198  19.843
  131    H5     C  14           H5         C  14  31.508 -13.267  20.526
  132    H6     C  14           H6         C  14  33.259 -13.968  19.049
  133   1H5*    C  15          1H5*        C  15  34.216 -15.288  11.579
  134   2H5*    C  15          2H5*        C  15  34.342 -13.685  10.860
  135    H4*    C  15           H4*        C  15  32.406 -15.218  10.127
  136    H3*    C  15           H3*        C  15  31.761 -12.360  10.936
  137    H2*    C  15           H2*        C  15  29.645 -12.837  10.159
  138   2HO*    C  15          2HO*        C  15  29.318 -14.605   9.028
  139    H1*    C  15           H1*        C  15  29.305 -15.264  11.304
  140   1H4     C  15          1H4         C  15  28.768 -12.472  17.085
  141   2H4     C  15          2H4         C  15  27.129 -12.826  16.614
  142    H5     C  15           H5         C  15  30.565 -12.658  15.803
  143    H6     C  15           H6         C  15  31.518 -13.223  13.635
  144   1H5*    A  16          1H5*        A  16  29.171 -12.942   6.949
  145   2H5*    A  16          2H5*        A  16  29.609 -11.364   6.401
  146    H4*    A  16           H4*        A  16  27.193 -11.819   6.247
  147    H3*    A  16           H3*        A  16  27.851  -9.440   8.014
  148    H2*    A  16           H2*        A  16  25.407  -9.451   8.680
  149   2HO*    A  16          2HO*        A  16  23.929 -10.620   7.384
  150    H1*    A  16           H1*        A  16  24.895 -11.854   8.688
  151    H8     A  16           H8         A  16  28.268 -11.135  10.346
  152   1H6     A  16          1H6         A  16  26.725 -11.161  14.734
  153   2H6     A  16          2H6         A  16  25.157 -10.968  15.519
  154    H2     A  16           H2         A  16  22.188 -10.500  12.230
  155   1H5*    C  17          1H5*        C  17  24.972  -7.694   5.747
  156   2H5*    C  17          2H5*        C  17  25.047  -5.951   5.958
  157    H4*    C  17           H4*        C  17  23.191  -7.332   7.203
  158    H3*    C  17           H3*        C  17  24.923  -5.280   8.592
  159    H2*    C  17           H2*        C  17  23.659  -5.556  10.526
  160   2HO*    C  17          2HO*        C  17  21.755  -6.607   8.722
  161    H1*    C  17           H1*        C  17  23.146  -8.145  10.226
  162   1H4     C  17          1H4         C  17  27.857  -8.503  14.554
  163   2H4     C  17          2H4         C  17  26.408  -8.023  15.361
  164    H5     C  17           H5         C  17  28.071  -8.408  11.878
  165    H6     C  17           H6         C  17  26.700  -8.183   9.932
  166   1H5*    U  18          1H5*        U  18  21.111  -0.805   8.785
  167   2H5*    U  18          2H5*        U  18  22.863  -0.872   8.952
  168    H4*    U  18           H4*        U  18  20.767  -2.155  10.748
  169    H3*    U  18           H3*        U  18  22.094   0.422  11.013
  170    H2*    U  18           H2*        U  18  23.655  -0.377  12.782
  171   2HO*    U  18          2HO*        U  18  22.153  -1.448  14.469
  172    H1*    U  18           H1*        U  18  21.950  -2.608  13.124
  173    H3     U  18           H3         U  18  24.841  -3.956  16.121
  174    H5     U  18           H5         U  18  26.582  -4.501  12.324
  175    H6     U  18           H6         U  18  24.978  -3.018  11.451
  176   1H5*    U  19          1H5*        U  19  17.742  -2.585  11.748
  177   2H5*    U  19          2H5*        U  19  16.628  -1.421  11.068
  178    H4*    U  19           H4*        U  19  15.478  -2.635  12.982
  179    H3*    U  19           H3*        U  19  15.313   0.178  13.286
  180    H2*    U  19           H2*        U  19  17.616   0.211  14.493
  181   2HO*    U  19          2HO*        U  19  15.583   1.305  15.452
  182    H1*    U  19           H1*        U  19  16.203  -1.850  16.133
  183    H3     U  19           H3         U  19  19.313  -2.203  19.334
  184    H5     U  19           H5         U  19  21.538  -0.836  16.018
  185    H6     U  19           H6         U  19  19.552  -0.800  14.759
  186   1H5*    A  20          1H5*        A  20  13.793  -1.402  10.894
  187   2H5*    A  20          2H5*        A  20  12.222  -2.180  11.169
  188    H4*    A  20           H4*        A  20  13.638  -3.236   9.302
  189    H3*    A  20           H3*        A  20  12.748  -4.857  11.731
  190    H2*    A  20           H2*        A  20  13.769  -6.719  11.087
  191   2HO*    A  20          2HO*        A  20  14.068  -7.263   9.025
  192    H1*    A  20           H1*        A  20  15.952  -5.544   9.784
  193    H8     A  20           H8         A  20  14.317  -6.261  13.169
  194   1H6     A  20          1H6         A  20  18.211  -6.278  15.976
  195   2H6     A  20          2H6         A  20  19.898  -5.915  15.699
  196    H2     A  20           H2         A  20  20.296  -4.916  11.331
  197   1H5*    A  21          1H5*        A  21  10.283  -8.675  10.828
  198   2H5*    A  21          2H5*        A  21  11.719  -8.029  11.651
  199    H4*    A  21           H4*        A  21  11.798 -10.127   9.396
  200    H3*    A  21           H3*        A  21  11.448 -10.428  12.316
  201    H2*    A  21           H2*        A  21  13.534 -11.149  12.845
  202   2HO*    A  21          2HO*        A  21  13.312 -12.691  10.503
  203    H1*    A  21           H1*        A  21  14.794 -11.178  10.341
  204    H8     A  21           H8         A  21  15.093  -9.933  13.808
  205   1H6     A  21          1H6         A  21  19.307  -7.750  13.526
  206   2H6     A  21          2H6         A  21  20.296  -7.196  12.194
  207    H2     A  21           H2         A  21  18.189  -8.334   8.444
  208   1H5*    A  22          1H5*        A  22  12.708 -13.754   7.432
  209   2H5*    A  22          2H5*        A  22  13.971 -14.190   8.574
  210    H4*    A  22           H4*        A  22  14.057 -11.819   6.616
  211    H3*    A  22           H3*        A  22  15.375 -14.532   6.817
  212    H2*    A  22           H2*        A  22  17.434 -13.759   6.948
  213   2HO*    A  22          2HO*        A  22  18.172 -12.137   5.436
  214    H1*    A  22           H1*        A  22  16.844 -10.902   6.944
  215    H8     A  22           H8         A  22  16.906 -12.994  10.142
  216   1H6     A  22          1H6         A  22  22.871 -11.759  10.513
  217   2H6     A  22          2H6         A  22  21.525 -12.597  11.251
  218    H2     A  22           H2         A  22  21.476  -9.955   6.867
  219   1H5*    A  23          1H5*        A  23  17.803 -13.170   3.622
  220   2H5*    A  23          2H5*        A  23  17.418 -14.343   2.347
  221    H4*    A  23           H4*        A  23  19.693 -14.515   2.330
  222    H3*    A  23           H3*        A  23  19.017 -16.348   4.708
  223    H2*    A  23           H2*        A  23  21.551 -16.963   4.604
  224   2HO*    A  23          2HO*        A  23  21.660 -16.917   2.384
  225    H1*    A  23           H1*        A  23  22.212 -14.268   4.247
  226    H8     A  23           H8         A  23  19.431 -14.678   6.928
  227   1H6     A  23          1H6         A  23  22.367 -13.971  10.796
  228   2H6     A  23          2H6         A  23  24.099 -13.798  10.905
  229    H2     A  23           H2         A  23  25.777 -14.150   6.775
  230   1H5*    A  24          1H5*        A  24  21.707 -20.503   2.791
  231   2H5*    A  24          2H5*        A  24  20.411 -21.159   3.802
  232    H4*    A  24           H4*        A  24  22.922 -21.332   4.671
  233    H3*    A  24           H3*        A  24  20.549 -21.041   6.365
  234    H2*    A  24           H2*        A  24  21.745 -20.000   7.894
  235   2HO*    A  24          2HO*        A  24  22.430 -22.193   8.339
  236    H1*    A  24           H1*        A  24  24.347 -20.159   6.410
  237    H8     A  24           H8         A  24  21.892 -17.875   8.442
  238   1H6     A  24          1H6         A  24  27.002 -14.916  10.089
  239   2H6     A  24          2H6         A  24  25.312 -15.180  10.456
  240    H2     A  24           H2         A  24  27.941 -17.382   6.492
  241   1H5*    C  25          1H5*        C  25  19.605 -24.278   9.063
  242   2H5*    C  25          2H5*        C  25  19.411 -22.709   9.819
  243    H4*    C  25           H4*        C  25  21.887 -23.111  10.647
  244    H3*    C  25           H3*        C  25  21.033 -25.927  10.245
  245    H2*    C  25           H2*        C  25  21.936 -26.423  12.276
  246   2HO*    C  25          2HO*        C  25  23.864 -25.019  11.493
  247    H1*    C  25           H1*        C  25  21.630 -23.925  13.538
  248   1H4     C  25          1H4         C  25  18.138 -27.965  16.970
  249   2H4     C  25          2H4         C  25  16.986 -28.131  15.663
  250    H5     C  25           H5         C  25  17.279 -27.076  13.497
  251    H6     C  25           H6         C  25  18.748 -25.697  12.159
  252   1H5*    A  26          1H5*        A  26  26.764 -25.166  10.587
  253   2H5*    A  26          2H5*        A  26  25.508 -23.940  10.521
  254    H4*    A  26           H4*        A  26  27.282 -24.256   8.121
  255    H3*    A  26           H3*        A  26  28.214 -23.334  10.816
  256    H2*    A  26           H2*        A  26  29.062 -21.344  10.071
  257   2HO*    A  26          2HO*        A  26  30.428 -21.873   8.499
  258    H1*    A  26           H1*        A  26  27.397 -20.791   7.937
  259    H8     A  26           H8         A  26  25.161 -21.440  10.841
  260   1H6     A  26          1H6         A  26  27.055 -16.135  13.382
  261   2H6     A  26          2H6         A  26  25.940 -17.473  13.542
  262    H2     A  26           H2         A  26  29.612 -16.959   9.788
  263   1H5*    C  27          1H5*        C  27  32.234 -23.237   8.894
  264   2H5*    C  27          2H5*        C  27  33.251 -24.392   9.778
  265    H4*    C  27           H4*        C  27  34.473 -22.274   9.747
  266    H3*    C  27           H3*        C  27  33.039 -22.178  12.366
  267    H2*    C  27           H2*        C  27  34.489 -20.303  12.791
  268   2HO*    C  27          2HO*        C  27  36.403 -20.880  11.991
  269    H1*    C  27           H1*        C  27  34.148 -19.354  10.170
  270   1H4     C  27          1H4         C  27  29.456 -16.704  13.994
  271   2H4     C  27          2H4         C  27  30.753 -15.537  13.869
  272    H5     C  27           H5         C  27  29.661 -18.878  13.290
  273    H6     C  27           H6         C  27  30.826 -20.426  11.649
  274   1H5*    C  28          1H5*        C  28  38.155 -21.399  12.833
  275   2H5*    C  28          2H5*        C  28  38.157 -22.572  14.160
  276    H4*    C  28           H4*        C  28  39.363 -20.243  14.442
  277    H3*    C  28           H3*        C  28  37.717 -21.778  16.389
  278    H2*    C  28           H2*        C  28  37.568 -20.104  17.953
  279   2HO*    C  28          2HO*        C  28  39.428 -19.242  18.417
  280    H1*    C  28           H1*        C  28  37.484 -17.827  16.315
  281   1H4     C  28          1H4         C  28  31.504 -20.471  17.271
  282   2H4     C  28          2H4         C  28  31.649 -19.183  18.445
  283    H5     C  28           H5         C  28  33.216 -21.245  16.005
  284    H6     C  28           H6         C  28  35.405 -20.606  14.868
  285   1H5*    G  29          1H5*        G  29  40.308 -20.790  18.427
  286   2H5*    G  29          2H5*        G  29  41.223 -21.470  19.785
  287    H4*    G  29           H4*        G  29  39.363 -19.882  20.410
  288    H3*    G  29           H3*        G  29  38.798 -22.718  21.355
  289    H2*    G  29           H2*        G  29  36.768 -22.032  22.132
  290   2HO*    G  29          2HO*        G  29  36.411 -19.871  22.842
  291    H1*    G  29           H1*        G  29  36.708 -19.583  20.579
  292    H8     G  29           H8         G  29  35.872 -22.141  17.969
  293    H1     G  29           H1         G  29  30.724 -20.370  21.405
  294   1H2     G  29          1H2         G  29  33.265 -19.305  23.823
  295   2H2     G  29          2H2         G  29  31.560 -19.421  23.455
  296   1H5*    G  30          1H5*        G  30  38.995 -18.617  24.705
  297   2H5*    G  30          2H5*        G  30  39.606 -19.684  25.987
  298    H4*    G  30           H4*        G  30  37.742 -17.960  26.544
  299    H3*    G  30           H3*        G  30  37.617 -20.893  27.219
  300    H2*    G  30           H2*        G  30  35.438 -20.647  28.156
  301   2HO*    G  30          2HO*        G  30  34.547 -18.487  28.360
  302    H1*    G  30           H1*        G  30  34.486 -18.848  26.332
  303    H8     G  30           H8         G  30  36.347 -21.480  24.222
  304    H1     G  30           H1         G  30  30.029 -22.257  24.601
  305   1H2     G  30          1H2         G  30  30.199 -20.024  27.302
  306   2H2     G  30          2H2         G  30  29.197 -21.020  26.267
  Start of MODEL    7
    1   1H5*    A   3          1H5*        A   3  23.785  -3.329  20.931
    2   2H5*    A   3          2H5*        A   3  23.291  -1.677  21.409
    3    H4*    A   3           H4*        A   3  22.037  -3.158  22.798
    4    H3*    A   3           H3*        A   3  23.804  -2.415  24.822
    5    H2*    A   3           H2*        A   3  25.689  -3.550  23.931
    6   2HO*    A   3          2HO*        A   3  24.469  -4.741  26.019
    7    H1*    A   3           H1*        A   3  24.188  -5.897  23.507
    8    H8     A   3           H8         A   3  27.135  -6.240  23.174
    9   1H6     A   3          1H6         A   3  28.467  -6.658  18.429
   10   2H6     A   3          2H6         A   3  27.743  -5.983  16.955
   11    H2     A   3           H2         A   3  24.129  -3.685  18.215
   12   1H5*    G   4          1H5*        G   4  20.582  -4.491  23.764
   13   2H5*    G   4          2H5*        G   4  19.265  -5.514  24.175
   14    H4*    G   4           H4*        G   4  19.327  -4.923  21.755
   15    H3*    G   4           H3*        G   4  20.515  -7.880  21.613
   16    H2*    G   4           H2*        G   4  20.394  -7.608  19.231
   17   2HO*    G   4          2HO*        G   4  19.384  -5.823  18.309
   18    H1*    G   4           H1*        G   4  21.362  -5.100  19.278
   19    H8     G   4           H8         G   4  23.580  -6.721  21.567
   20    H1     G   4           H1         G   4  24.735  -7.506  15.335
   21   1H2     G   4          1H2         G   4  21.249  -6.531  15.265
   22   2H2     G   4          2H2         G   4  22.653  -6.980  14.338
   23   1H5*    U   5          1H5*        U   5  16.227  -8.982  19.830
   24   2H5*    U   5          2H5*        U   5  16.089 -10.696  20.096
   25    H4*    U   5           H4*        U   5  15.926  -9.736  17.642
   26    H3*    U   5           H3*        U   5  18.098 -11.938  17.907
   27    H2*    U   5           H2*        U   5  18.309 -11.759  15.584
   28   2HO*    U   5          2HO*        U   5  15.995 -10.091  15.780
   29    H1*    U   5           H1*        U   5  18.568  -9.177  15.549
   30    H3     U   5           H3         U   5  22.696 -10.599  15.089
   31    H5     U   5           H5         U   5  22.209  -9.693  19.154
   32    H6     U   5           H6         U   5  19.753  -9.660  18.770
   33   1H5*    G   6          1H5*        G   6  16.110 -13.183  15.325
   34   2H5*    G   6          2H5*        G   6  15.327 -14.740  15.022
   35    H4*    G   6           H4*        G   6  16.861 -14.395  13.309
   36    H3*    G   6           H3*        G   6  18.139 -16.201  15.348
   37    H2*    G   6           H2*        G   6  19.970 -16.400  13.808
   38   2HO*    G   6          2HO*        G   6  18.017 -15.543  12.010
   39    H1*    G   6           H1*        G   6  19.937 -13.848  13.042
   40    H8     G   6           H8         G   6  19.813 -13.686  16.825
   41    H1     G   6           H1         G   6  25.689 -13.875  14.288
   42   1H2     G   6          1H2         G   6  24.020 -15.110  11.426
   43   2H2     G   6          2H2         G   6  25.540 -14.661  12.174
   44   1H5*    G   7          1H5*        G   7  19.092 -20.008  15.741
   45   2H5*    G   7          2H5*        G   7  18.688 -18.285  15.863
   46    H4*    G   7           H4*        G   7  20.155 -18.566  13.466
   47    H3*    G   7           H3*        G   7  21.170 -20.611  15.352
   48    H2*    G   7           H2*        G   7  22.977 -19.494  16.049
   49   2HO*    G   7          2HO*        G   7  23.346 -19.448  13.277
   50    H1*    G   7           H1*        G   7  22.808 -17.191  14.525
   51    H8     G   7           H8         G   7  21.006 -16.486  17.674
   52    H1     G   7           H1         G   7  27.372 -15.436  17.856
   53   1H2     G   7          1H2         G   7  27.264 -17.576  14.949
   54   2H2     G   7          2H2         G   7  28.247 -16.614  16.025
   55   1H5*   CH   8          1H5*       CH   8  23.749 -24.022  13.536
   56   2H5*   CH   8          2H5*       CH   8  23.740 -23.647  15.292
   57    H4*   CH   8           H4*       CH   8  26.084 -23.246  13.305
   58    H3*   CH   8           H3*       CH   8  25.724 -23.945  16.407
   59    H2*   CH   8           H2*       CH   8  28.077 -23.297  16.545
   60   2HO*   CH   8          2HO*       CH   8  29.226 -22.763  14.443
   61    H1*   CH   8           H1*       CH   8  28.013 -21.497  14.719
   62    HN3   CH   8           HN3       CH   8  29.558 -19.113  18.070
   63   1H4    CH   8          1H4        CH   8  26.927 -17.983  20.057
   64   2H4    CH   8          2H4        CH   8  28.611 -17.739  19.805
   65    H5    CH   8           H5        CH   8  25.489 -19.644  19.062
   66    H6    CH   8           H6        CH   8  25.299 -21.174  17.121
   67   1H5*    G   9          1H5*        G   9  23.113 -26.835  17.355
   68   2H5*    G   9          2H5*        G   9  22.466 -25.766  16.084
   69    H4*    G   9           H4*        G   9  22.507 -23.896  17.683
   70    H3*    G   9           H3*        G   9  24.547 -25.342  18.946
   71    H2*    G   9           H2*        G   9  23.064 -26.819  19.878
   72   2HO*    G   9          2HO*        G   9  23.275 -24.698  21.796
   73    H1*    G   9           H1*        G   9  21.193 -24.524  20.418
   74    H8     G   9           H8         G   9  18.801 -26.406  19.387
   75    H1     G   9           H1         G   9  21.023 -29.851  24.273
   76   1H2     G   9          1H2         G   9  23.081 -29.196  24.784
   77   2H2     G   9          2H2         G   9  23.900 -27.914  23.922
   78   1H5*    C  10          1H5*        C  10  21.355 -22.633  22.061
   79   2H5*    C  10          2H5*        C  10  21.322 -20.821  22.202
   80    H4*    C  10           H4*        C  10  22.062 -21.958  24.372
   81    H3*    C  10           H3*        C  10  24.258 -20.215  23.076
   82    H2*    C  10           H2*        C  10  25.620 -20.650  24.787
   83   2HO*    C  10          2HO*        C  10  23.297 -21.790  25.986
   84    H1*    C  10           H1*        C  10  25.327 -23.281  24.630
   85   1H4     C  10          1H4         C  10  28.713 -23.309  19.195
   86   2H4     C  10          2H4         C  10  29.915 -22.986  20.441
   87    H5     C  10           H5         C  10  26.314 -23.168  19.589
   88    H6     C  10           H6         C  10  24.628 -22.991  21.204
   89   1H5*    C  11          1H5*        C  11  23.496 -18.066  26.299
   90   2H5*    C  11          2H5*        C  11  23.395 -16.313  26.463
   91    H4*    C  11           H4*        C  11  25.571 -17.204  27.302
   92    H3*    C  11           H3*        C  11  25.777 -15.503  24.792
   93    H2*    C  11           H2*        C  11  28.146 -15.709  24.975
   94   2HO*    C  11          2HO*        C  11  29.103 -16.549  26.873
   95    H1*    C  11           H1*        C  11  28.045 -18.353  25.925
   96   1H4     C  11          1H4         C  11  28.633 -20.353  20.027
   97   2H4     C  11          2H4         C  11  30.206 -20.119  20.626
   98    H5     C  11           H5         C  11  26.577 -19.495  21.135
   99    H6     C  11           H6         C  11  25.888 -18.221  22.992
  100   1H5*    G  12          1H5*        G  12  27.876 -13.129  27.039
  101   2H5*    G  12          2H5*        G  12  27.832 -11.370  26.728
  102    H4*    G  12           H4*        G  12  30.031 -12.467  26.085
  103    H3*    G  12           H3*        G  12  28.513 -11.657  23.518
  104    H2*    G  12           H2*        G  12  30.383 -12.246  22.473
  105   2HO*    G  12          2HO*        G  12  32.338 -12.894  23.606
  106    H1*    G  12           H1*        G  12  31.129 -14.196  23.957
  107    H8     G  12           H8         G  12  27.774 -15.288  22.847
  108    H1     G  12           H1         G  12  32.669 -17.001  19.211
  109   1H2     G  12          1H2         G  12  34.553 -14.656  21.039
  110   2H2     G  12          2H2         G  12  34.541 -15.883  19.781
  111   1H5*    A  13          1H5*        A  13  33.269 -10.544  22.231
  112   2H5*    A  13          2H5*        A  13  32.786  -8.834  22.255
  113    H4*    A  13           H4*        A  13  32.582 -10.632  19.781
  114    H3*    A  13           H3*        A  13  34.954  -9.346  20.777
  115    H2*    A  13           H2*        A  13  34.698  -7.328  19.829
  116   2HO*    A  13          2HO*        A  13  34.912  -7.465  17.404
  117    H1*    A  13           H1*        A  13  32.778  -8.256  17.734
  118    H8     A  13           H8         A  13  31.689  -6.183  20.719
  119   1H6     A  13          1H6         A  13  32.138  -1.224  17.108
  120   2H6     A  13          2H6         A  13  31.619  -1.825  18.667
  121    H2     A  13           H2         A  13  33.851  -4.730  14.871
  122   1H5*    C  14          1H5*        C  14  34.825 -13.537  18.775
  123   2H5*    C  14          2H5*        C  14  36.316 -13.741  17.913
  124    H4*    C  14           H4*        C  14  35.507 -15.528  16.898
  125    H3*    C  14           H3*        C  14  33.944 -13.399  15.609
  126    H2*    C  14           H2*        C  14  31.965 -14.683  15.316
  127   2HO*    C  14          2HO*        C  14  33.719 -16.578  14.740
  128    H1*    C  14           H1*        C  14  32.265 -16.657  17.083
  129   1H4     C  14          1H4         C  14  28.428 -13.168  20.693
  130   2H4     C  14          2H4         C  14  27.410 -14.132  19.655
  131    H5     C  14           H5         C  14  30.850 -12.987  20.278
  132    H6     C  14           H6         C  14  32.630 -13.674  18.809
  133   1H5*    C  15          1H5*        C  15  34.554 -14.212  10.781
  134   2H5*    C  15          2H5*        C  15  33.823 -12.612  10.733
  135    H4*    C  15           H4*        C  15  32.670 -15.081   9.969
  136    H3*    C  15           H3*        C  15  31.280 -12.451  10.542
  137    H2*    C  15           H2*        C  15  29.353 -13.534   9.823
  138   2HO*    C  15          2HO*        C  15  29.498 -15.220   8.678
  139    H1*    C  15           H1*        C  15  29.720 -15.829  11.345
  140   1H4     C  15          1H4         C  15  28.282 -12.600  16.785
  141   2H4     C  15          2H4         C  15  26.707 -13.045  16.185
  142    H5     C  15           H5         C  15  30.186 -12.795  15.719
  143    H6     C  15           H6         C  15  31.368 -13.382  13.642
  144   1H5*    A  16          1H5*        A  16  29.306 -13.338   6.841
  145   2H5*    A  16          2H5*        A  16  28.920 -11.804   6.240
  146    H4*    A  16           H4*        A  16  26.955 -13.363   6.667
  147    H3*    A  16           H3*        A  16  27.119 -10.543   7.650
  148    H2*    A  16           H2*        A  16  24.984 -10.982   9.048
  149   2HO*    A  16          2HO*        A  16  24.626 -12.922   6.947
  150    H1*    A  16           H1*        A  16  25.245 -13.479   9.353
  151    H8     A  16           H8         A  16  28.346 -11.895  10.884
  152   1H6     A  16          1H6         A  16  26.697 -10.887  15.156
  153   2H6     A  16          2H6         A  16  25.091 -10.618  15.846
  154    H2     A  16           H2         A  16  22.196 -11.306  12.498
  155   1H5*    C  17          1H5*        C  17  23.442  -7.680   5.838
  156   2H5*    C  17          2H5*        C  17  25.113  -7.503   6.423
  157    H4*    C  17           H4*        C  17  22.589  -8.262   7.977
  158    H3*    C  17           H3*        C  17  24.423  -5.859   8.375
  159    H2*    C  17           H2*        C  17  23.582  -5.767  10.531
  160   2HO*    C  17          2HO*        C  17  21.372  -6.943   9.317
  161    H1*    C  17           H1*        C  17  23.051  -8.474  10.702
  162   1H4     C  17          1H4         C  17  28.201  -8.529  14.484
  163   2H4     C  17          2H4         C  17  26.837  -8.075  15.439
  164    H5     C  17           H5         C  17  28.126  -8.510  11.831
  165    H6     C  17           H6         C  17  26.575  -8.359  10.038
  166   1H5*    U  18          1H5*        U  18  21.569  -1.507   9.176
  167   2H5*    U  18          2H5*        U  18  23.256  -2.021   9.028
  168    H4*    U  18           H4*        U  18  21.372  -3.126  11.127
  169    H3*    U  18           H3*        U  18  22.577  -0.480  11.236
  170    H2*    U  18           H2*        U  18  24.200  -1.220  13.006
  171   2HO*    U  18          2HO*        U  18  22.807  -2.330  14.764
  172    H1*    U  18           H1*        U  18  22.622  -3.523  13.339
  173    H3     U  18           H3         U  18  25.814  -4.580  16.283
  174    H5     U  18           H5         U  18  27.356  -5.147  12.422
  175    H6     U  18           H6         U  18  25.625  -3.816  11.583
  176   1H5*    U  19          1H5*        U  19  18.858  -1.743  11.557
  177   2H5*    U  19          2H5*        U  19  17.392  -0.779  11.230
  178    H4*    U  19           H4*        U  19  16.875  -2.300  13.121
  179    H3*    U  19           H3*        U  19  16.360   0.470  13.485
  180    H2*    U  19           H2*        U  19  18.760   0.704  14.597
  181   2HO*    U  19          2HO*        U  19  16.664   0.463  16.576
  182    H1*    U  19           H1*        U  19  17.596  -1.523  16.187
  183    H3     U  19           H3         U  19  20.805  -1.445  19.377
  184    H5     U  19           H5         U  19  22.896  -0.404  15.842
  185    H6     U  19           H6         U  19  20.850  -0.470  14.707
  186   1H5*    A  20          1H5*        A  20  14.742  -0.840  11.958
  187   2H5*    A  20          2H5*        A  20  12.999  -0.961  11.683
  188    H4*    A  20           H4*        A  20  14.007  -2.573  10.215
  189    H3*    A  20           H3*        A  20  12.972  -3.952  12.740
  190    H2*    A  20           H2*        A  20  13.637  -6.011  11.996
  191   2HO*    A  20          2HO*        A  20  13.675  -6.533   9.934
  192    H1*    A  20           H1*        A  20  15.917  -5.136  10.601
  193    H8     A  20           H8         A  20  14.354  -5.721  14.056
  194   1H6     A  20          1H6         A  20  18.345  -6.202  16.710
  195   2H6     A  20          2H6         A  20  20.047  -6.003  16.367
  196    H2     A  20           H2         A  20  20.354  -4.868  12.009
  197   1H5*    A  21          1H5*        A  21  10.443  -7.663  11.691
  198   2H5*    A  21          2H5*        A  21  11.759  -6.959  12.648
  199    H4*    A  21           H4*        A  21  12.130  -9.146  10.494
  200    H3*    A  21           H3*        A  21  11.545  -9.317  13.423
  201    H2*    A  21           H2*        A  21  13.681  -9.891  14.093
  202   2HO*    A  21          2HO*        A  21  13.674 -11.715  11.945
  203    H1*    A  21           H1*        A  21  14.905 -10.229  11.561
  204    H8     A  21           H8         A  21  14.903  -8.210  14.819
  205   1H6     A  21          1H6         A  21  20.951  -7.680  13.640
  206   2H6     A  21          2H6         A  21  19.744  -7.629  14.906
  207    H2     A  21           H2         A  21  18.822  -8.837   9.849
  208   1H5*    A  22          1H5*        A  22  12.868 -13.636   9.402
  209   2H5*    A  22          2H5*        A  22  14.363 -13.675  10.325
  210    H4*    A  22           H4*        A  22  13.810 -11.846   7.912
  211    H3*    A  22           H3*        A  22  15.358 -14.396   8.431
  212    H2*    A  22           H2*        A  22  17.349 -13.578   7.884
  213   2HO*    A  22          2HO*        A  22  17.335 -13.529   5.769
  214    H1*    A  22           H1*        A  22  16.560 -10.817   7.380
  215    H8     A  22           H8         A  22  17.360 -11.868  10.915
  216   1H6     A  22          1H6         A  22  22.139 -10.750  10.813
  217   2H6     A  22          2H6         A  22  23.173 -10.212   9.519
  218    H2     A  22           H2         A  22  20.877 -10.055   5.911
  219   1H5*    A  23          1H5*        A  23  16.542 -14.564   4.396
  220   2H5*    A  23          2H5*        A  23  15.956 -16.114   3.767
  221    H4*    A  23           H4*        A  23  18.304 -16.098   3.352
  222    H3*    A  23           H3*        A  23  18.011 -17.513   6.086
  223    H2*    A  23           H2*        A  23  20.554 -17.998   5.814
  224   2HO*    A  23          2HO*        A  23  20.728 -18.306   3.736
  225    H1*    A  23           H1*        A  23  21.043 -15.376   5.070
  226    H8     A  23           H8         A  23  18.292 -15.566   7.822
  227   1H6     A  23          1H6         A  23  21.198 -14.249  11.492
  228   2H6     A  23          2H6         A  23  22.920 -13.982  11.578
  229    H2     A  23           H2         A  23  24.600 -14.675   7.493
  230   1H5*    A  24          1H5*        A  24  21.134 -21.443   3.885
  231   2H5*    A  24          2H5*        A  24  20.095 -22.267   5.065
  232    H4*    A  24           H4*        A  24  22.642 -22.341   5.639
  233    H3*    A  24           H3*        A  24  20.554 -21.865   7.582
  234    H2*    A  24           H2*        A  24  21.918 -20.628   8.835
  235   2HO*    A  24          2HO*        A  24  22.974 -22.111   9.889
  236    H1*    A  24           H1*        A  24  24.320 -20.964   7.055
  237    H8     A  24           H8         A  24  22.083 -18.447   9.053
  238   1H6     A  24          1H6         A  24  27.352 -15.459   9.933
  239   2H6     A  24          2H6         A  24  25.703 -15.657  10.477
  240    H2     A  24           H2         A  24  27.944 -18.222   6.522
  241   1H5*    C  25          1H5*        C  25  20.069 -25.784   9.441
  242   2H5*    C  25          2H5*        C  25  20.630 -24.190   9.011
  243    H4*    C  25           H4*        C  25  21.934 -25.478  10.748
  244    H3*    C  25           H3*        C  25  23.001 -23.668   8.935
  245    H2*    C  25           H2*        C  25  23.715 -25.026   7.357
  246   2HO*    C  25          2HO*        C  25  26.021 -25.531   7.750
  247    H1*    C  25           H1*        C  25  24.788 -27.094   9.261
  248   1H4     C  25          1H4         C  25  24.951 -30.541   3.987
  249   2H4     C  25          2H4         C  25  23.257 -30.229   3.680
  250    H5     C  25           H5         C  25  21.882 -28.966   5.231
  251    H6     C  25           H6         C  25  22.002 -27.109   6.876
  252   1H5*    A  26          1H5*        A  26  28.229 -25.790  11.242
  253   2H5*    A  26          2H5*        A  26  27.524 -24.247  11.634
  254    H4*    A  26           H4*        A  26  28.849 -25.075   9.045
  255    H3*    A  26           H3*        A  26  29.608 -23.408  11.379
  256    H2*    A  26           H2*        A  26  30.152 -21.505  10.233
  257   2HO*    A  26          2HO*        A  26  31.638 -22.304   8.815
  258    H1*    A  26           H1*        A  26  28.450 -21.583   8.090
  259    H8     A  26           H8         A  26  26.164 -22.269  10.869
  260   1H6     A  26          1H6         A  26  27.203 -16.560  13.063
  261   2H6     A  26          2H6         A  26  26.259 -18.009  13.306
  262    H2     A  26           H2         A  26  30.088 -17.375   9.702
  263   1H5*    C  27          1H5*        C  27  33.635 -23.422   9.631
  264   2H5*    C  27          2H5*        C  27  34.707 -24.365  10.687
  265    H4*    C  27           H4*        C  27  35.814 -22.244  10.391
  266    H3*    C  27           H3*        C  27  34.219 -21.753  12.847
  267    H2*    C  27           H2*        C  27  35.531 -19.772  13.020
  268   2HO*    C  27          2HO*        C  27  37.493 -19.948  12.313
  269    H1*    C  27           H1*        C  27  35.229 -19.238  10.304
  270   1H4     C  27          1H4         C  27  31.267 -15.494  13.484
  271   2H4     C  27          2H4         C  27  30.144 -16.805  13.764
  272    H5     C  27           H5         C  27  30.617 -18.978  13.291
  273    H6     C  27           H6         C  27  31.972 -20.535  11.783
  274   1H5*    C  28          1H5*        C  28  38.529 -20.628  13.808
  275   2H5*    C  28          2H5*        C  28  38.839 -21.735  15.158
  276    H4*    C  28           H4*        C  28  39.658 -19.321  15.446
  277    H3*    C  28           H3*        C  28  38.002 -20.891  17.345
  278    H2*    C  28           H2*        C  28  37.444 -19.146  18.732
  279   2HO*    C  28          2HO*        C  28  39.439 -18.340  19.197
  280    H1*    C  28           H1*        C  28  37.283 -17.024  16.930
  281   1H4     C  28          1H4         C  28  31.593 -20.336  17.534
  282   2H4     C  28          2H4         C  28  31.491 -18.979  18.636
  283    H5     C  28           H5         C  28  33.505 -20.989  16.465
  284    H6     C  28           H6         C  28  35.688 -20.118  15.445
  285   1H5*    G  29          1H5*        G  29  40.865 -19.701  19.839
  286   2H5*    G  29          2H5*        G  29  41.687 -20.740  21.015
  287    H4*    G  29           H4*        G  29  40.231 -18.973  22.034
  288    H3*    G  29           H3*        G  29  39.019 -21.733  22.456
  289    H2*    G  29           H2*        G  29  37.387 -20.675  23.784
  290   2HO*    G  29          2HO*        G  29  39.382 -18.819  24.117
  291    H1*    G  29           H1*        G  29  37.174 -18.399  22.130
  292    H8     G  29           H8         G  29  36.941 -21.130  19.542
  293    H1     G  29           H1         G  29  31.309 -19.374  22.106
  294   1H2     G  29          1H2         G  29  33.441 -18.032  24.769
  295   2H2     G  29          2H2         G  29  31.811 -18.246  24.169
  296   1H5*    G  30          1H5*        G  30  39.379 -20.289  25.898
  297   2H5*    G  30          2H5*        G  30  39.446 -21.203  27.417
  298    H4*    G  30           H4*        G  30  37.268 -20.028  26.881
  299    H3*    G  30           H3*        G  30  37.280 -23.032  27.222
  300    H2*    G  30           H2*        G  30  35.037 -23.133  26.640
  301   2HO*    G  30          2HO*        G  30  34.947 -21.042  28.342
  302    H1*    G  30           H1*        G  30  35.012 -20.424  25.555
  303    H8     G  30           H8         G  30  36.446 -22.269  22.590
  304    H1     G  30           H1         G  30  30.066 -22.411  22.846
  305   1H2     G  30          1H2         G  30  30.400 -21.604  26.235
  306   2H2     G  30          2H2         G  30  29.331 -21.939  24.891
  Start of MODEL    8
    1   1H5*    A   3          1H5*        A   3  25.705  -5.022  26.729
    2   2H5*    A   3          2H5*        A   3  24.145  -4.774  27.475
    3    H4*    A   3           H4*        A   3  23.855  -3.407  25.774
    4    H3*    A   3           H3*        A   3  23.162  -6.009  24.245
    5    H2*    A   3           H2*        A   3  22.615  -4.681  22.386
    6   2HO*    A   3          2HO*        A   3  22.290  -2.509  22.467
    7    H1*    A   3           H1*        A   3  25.038  -3.118  22.670
    8    H8     A   3           H8         A   3  26.360  -6.225  23.088
    9   1H6     A   3          1H6         A   3  27.550  -6.861  18.408
   10   2H6     A   3          2H6         A   3  26.909  -6.163  16.909
   11    H2     A   3           H2         A   3  23.614  -3.365  18.128
   12   1H5*    G   4          1H5*        G   4  20.260  -4.705  23.439
   13   2H5*    G   4          2H5*        G   4  18.633  -5.361  23.674
   14    H4*    G   4           H4*        G   4  18.915  -4.934  21.375
   15    H3*    G   4           H3*        G   4  19.964  -7.928  21.272
   16    H2*    G   4           H2*        G   4  19.930  -7.600  18.857
   17   2HO*    G   4          2HO*        G   4  19.128  -5.665  18.006
   18    H1*    G   4           H1*        G   4  21.078  -5.165  19.051
   19    H8     G   4           H8         G   4  23.097  -7.016  21.446
   20    H1     G   4           H1         G   4  24.470  -7.713  15.187
   21   1H2     G   4          1H2         G   4  21.075  -6.478  15.036
   22   2H2     G   4          2H2         G   4  22.472  -7.011  14.144
   23   1H5*    U   5          1H5*        U   5  15.759  -9.089  19.485
   24   2H5*    U   5          2H5*        U   5  15.692 -10.814  19.611
   25    H4*    U   5           H4*        U   5  15.754  -9.568  17.232
   26    H3*    U   5           H3*        U   5  17.825 -11.868  17.474
   27    H2*    U   5           H2*        U   5  18.141 -11.527  15.184
   28   2HO*    U   5          2HO*        U   5  16.920 -10.157  13.963
   29    H1*    U   5           H1*        U   5  18.538  -8.940  15.403
   30    H3     U   5           H3         U   5  22.601 -10.477  14.938
   31    H5     U   5           H5         U   5  21.967  -9.891  19.090
   32    H6     U   5           H6         U   5  19.562  -9.757  18.622
   33   1H5*    G   6          1H5*        G   6  15.804 -12.953  14.770
   34   2H5*    G   6          2H5*        G   6  15.175 -14.575  14.400
   35    H4*    G   6           H4*        G   6  16.824 -13.890  12.766
   36    H3*    G   6           H3*        G   6  17.683 -16.025  14.689
   37    H2*    G   6           H2*        G   6  19.815 -16.108  13.743
   38   2HO*    G   6          2HO*        G   6  20.201 -15.215  11.629
   39    H1*    G   6           H1*        G   6  19.886 -13.537  12.779
   40    H8     G   6           H8         G   6  19.640 -13.207  16.536
   41    H1     G   6           H1         G   6  25.591 -13.465  14.182
   42   1H2     G   6          1H2         G   6  24.007 -14.894  11.340
   43   2H2     G   6          2H2         G   6  25.495 -14.370  12.086
   44   1H5*    G   7          1H5*        G   7  19.722 -19.730  13.236
   45   2H5*    G   7          2H5*        G   7  19.219 -18.547  14.475
   46    H4*    G   7           H4*        G   7  21.415 -17.784  12.596
   47    H3*    G   7           H3*        G   7  21.624 -20.088  14.504
   48    H2*    G   7           H2*        G   7  23.292 -19.095  15.702
   49   2HO*    G   7          2HO*        G   7  24.294 -18.913  13.162
   50    H1*    G   7           H1*        G   7  23.276 -16.726  14.217
   51    H8     G   7           H8         G   7  21.271 -16.011  17.241
   52    H1     G   7           H1         G   7  27.651 -15.014  17.626
   53   1H2     G   7          1H2         G   7  27.524 -17.240  14.767
   54   2H2     G   7          2H2         G   7  28.508 -16.278  15.847
   55   1H5*   CH   8          1H5*       CH   8  24.178 -23.957  13.304
   56   2H5*   CH   8          2H5*       CH   8  23.334 -22.716  14.246
   57    H4*   CH   8           H4*       CH   8  26.299 -22.511  13.162
   58    H3*   CH   8           H3*       CH   8  25.761 -23.277  16.244
   59    H2*   CH   8           H2*       CH   8  28.036 -22.449  16.361
   60   2HO*   CH   8          2HO*       CH   8  28.037 -22.901  13.496
   61    H1*   CH   8           H1*       CH   8  27.799 -20.767  14.474
   62    HN3   CH   8           HN3       CH   8  29.601 -18.537  17.811
   63   1H4    CH   8          1H4        CH   8  27.121 -17.159  19.841
   64   2H4    CH   8          2H4        CH   8  28.818 -17.076  19.570
   65    H5    CH   8           H5        CH   8  25.518 -18.648  18.862
   66    H6    CH   8           H6        CH   8  25.150 -20.199  16.928
   67   1H5*    G   9          1H5*        G   9  22.822 -25.333  15.627
   68   2H5*    G   9          2H5*        G   9  23.259 -23.769  16.361
   69    H4*    G   9           H4*        G   9  21.536 -25.100  17.624
   70    H3*    G   9           H3*        G   9  24.004 -24.002  18.715
   71    H2*    G   9           H2*        G   9  24.516 -25.536  20.378
   72   2HO*    G   9          2HO*        G   9  22.503 -25.045  21.419
   73    H1*    G   9           H1*        G   9  23.305 -27.837  19.632
   74    H8     G   9           H8         G   9  25.141 -29.321  18.476
   75    H1     G   9           H1         G   9  28.901 -24.240  17.652
   76   1H2     G   9          1H2         G   9  27.757 -22.380  18.113
   77   2H2     G   9          2H2         G   9  26.081 -22.417  18.609
   78   1H5*    C  10          1H5*        C  10  20.833 -22.684  22.516
   79   2H5*    C  10          2H5*        C  10  21.174 -20.923  22.216
   80    H4*    C  10           H4*        C  10  21.517 -21.804  24.706
   81    H3*    C  10           H3*        C  10  23.716 -20.125  23.344
   82    H2*    C  10           H2*        C  10  25.049 -20.294  25.101
   83   2HO*    C  10          2HO*        C  10  22.749 -21.372  26.408
   84    H1*    C  10           H1*        C  10  24.880 -22.966  25.278
   85   1H4     C  10          1H4         C  10  28.104 -23.602  19.793
   86   2H4     C  10          2H4         C  10  29.347 -23.159  20.947
   87    H5     C  10           H5         C  10  25.734 -23.374  20.244
   88    H6     C  10           H6         C  10  24.126 -23.059  21.856
   89   1H5*    C  11          1H5*        C  11  23.850 -16.393  27.786
   90   2H5*    C  11          2H5*        C  11  23.657 -15.767  26.162
   91    H4*    C  11           H4*        C  11  26.144 -16.872  27.398
   92    H3*    C  11           H3*        C  11  25.685 -15.114  24.956
   93    H2*    C  11           H2*        C  11  28.014 -15.390  24.636
   94   2HO*    C  11          2HO*        C  11  29.320 -16.305  26.313
   95    H1*    C  11           H1*        C  11  27.900 -17.998  25.794
   96   1H4     C  11          1H4         C  11  28.218 -20.393  20.027
   97   2H4     C  11          2H4         C  11  29.820 -20.167  20.556
   98    H5     C  11           H5         C  11  26.229 -19.372  21.137
   99    H6     C  11           H6         C  11  25.645 -17.951  22.923
  100   1H5*    G  12          1H5*        G  12  28.480 -12.645  26.877
  101   2H5*    G  12          2H5*        G  12  28.292 -10.928  26.398
  102    H4*    G  12           H4*        G  12  30.560 -11.978  25.817
  103    H3*    G  12           H3*        G  12  29.014 -11.391  23.220
  104    H2*    G  12           H2*        G  12  31.102 -11.665  22.270
  105   2HO*    G  12          2HO*        G  12  32.019 -11.393  24.901
  106    H1*    G  12           H1*        G  12  31.711 -13.765  23.673
  107    H8     G  12           H8         G  12  28.272 -14.539  22.624
  108    H1     G  12           H1         G  12  32.887 -16.736  18.951
  109   1H2     G  12          1H2         G  12  35.047 -14.612  20.707
  110   2H2     G  12          2H2         G  12  34.876 -15.829  19.448
  111   1H5*    A  13          1H5*        A  13  31.447  -7.709  20.832
  112   2H5*    A  13          2H5*        A  13  30.909  -9.185  20.027
  113    H4*    A  13           H4*        A  13  33.106  -8.883  19.124
  114    H3*    A  13           H3*        A  13  32.901 -10.942  21.223
  115    H2*    A  13           H2*        A  13  34.722 -10.191  22.363
  116   2HO*    A  13          2HO*        A  13  36.782 -10.655  21.024
  117    H1*    A  13           H1*        A  13  35.569  -8.691  19.846
  118    H8     A  13           H8         A  13  34.989  -6.902  23.042
  119   1H6     A  13          1H6         A  13  39.499  -6.196  24.561
  120   2H6     A  13          2H6         A  13  41.054  -6.814  24.049
  121    H2     A  13           H2         A  13  40.253  -9.637  20.639
  122   1H5*    C  14          1H5*        C  14  35.098 -13.274  18.768
  123   2H5*    C  14          2H5*        C  14  36.492 -13.267  17.776
  124    H4*    C  14           H4*        C  14  35.795 -15.081  16.741
  125    H3*    C  14           H3*        C  14  33.938 -12.980  15.719
  126    H2*    C  14           H2*        C  14  32.313 -14.584  14.966
  127   2HO*    C  14          2HO*        C  14  32.880 -16.663  14.588
  128    H1*    C  14           H1*        C  14  32.539 -16.391  16.815
  129   1H4     C  14          1H4         C  14  28.723 -12.719  20.387
  130   2H4     C  14          2H4         C  14  27.698 -13.693  19.354
  131    H5     C  14           H5         C  14  31.122 -12.623  20.022
  132    H6     C  14           H6         C  14  32.908 -13.348  18.587
  133   1H5*    C  15          1H5*        C  15  34.209 -15.360  11.822
  134   2H5*    C  15          2H5*        C  15  34.210 -14.019  10.662
  135    H4*    C  15           H4*        C  15  32.376 -15.873  10.517
  136    H3*    C  15           H3*        C  15  32.032 -12.902  10.265
  137    H2*    C  15           H2*        C  15  29.766 -13.122  10.015
  138   2HO*    C  15          2HO*        C  15  30.180 -15.130   8.678
  139    H1*    C  15           H1*        C  15  29.340 -15.473  11.463
  140   1H4     C  15          1H4         C  15  28.103 -11.961  16.639
  141   2H4     C  15          2H4         C  15  26.558 -12.483  16.028
  142    H5     C  15           H5         C  15  30.139 -12.242  15.572
  143    H6     C  15           H6         C  15  31.307 -13.004  13.491
  144   1H5*    A  16          1H5*        A  16  29.168 -12.514   6.036
  145   2H5*    A  16          2H5*        A  16  29.551 -11.321   7.270
  146    H4*    A  16           H4*        A  16  27.034 -12.703   6.628
  147    H3*    A  16           H3*        A  16  27.512 -10.051   8.046
  148    H2*    A  16           H2*        A  16  25.170 -10.353   8.927
  149   2HO*    A  16          2HO*        A  16  25.021 -12.088   6.624
  150    H1*    A  16           H1*        A  16  25.159 -12.853   9.168
  151    H8     A  16           H8         A  16  28.354 -11.614  10.753
  152   1H6     A  16          1H6         A  16  26.612 -10.880  15.169
  153   2H6     A  16          2H6         A  16  24.982 -10.629  15.815
  154    H2     A  16           H2         A  16  22.202 -10.965  12.374
  155   1H5*    C  17          1H5*        C  17  24.716  -9.388   6.366
  156   2H5*    C  17          2H5*        C  17  24.225  -7.870   5.613
  157    H4*    C  17           H4*        C  17  22.748  -8.340   7.470
  158    H3*    C  17           H3*        C  17  24.722  -6.155   8.065
  159    H2*    C  17           H2*        C  17  23.641  -5.780  10.130
  160   2HO*    C  17          2HO*        C  17  21.587  -6.787  10.541
  161    H1*    C  17           H1*        C  17  22.862  -8.378  10.460
  162   1H4     C  17          1H4         C  17  27.876  -8.980  14.411
  163   2H4     C  17          2H4         C  17  26.518  -8.448  15.336
  164    H5     C  17           H5         C  17  27.877  -8.887  11.720
  165    H6     C  17           H6         C  17  26.401  -8.582   9.907
  166   1H5*    U  18          1H5*        U  18  21.132  -1.900   8.803
  167   2H5*    U  18          2H5*        U  18  22.891  -1.957   8.912
  168    H4*    U  18           H4*        U  18  20.822  -2.957  10.915
  169    H3*    U  18           H3*        U  18  22.228  -0.461  10.874
  170    H2*    U  18           H2*        U  18  23.909  -1.169  12.630
  171   2HO*    U  18          2HO*        U  18  22.411  -1.971  14.506
  172    H1*    U  18           H1*        U  18  22.132  -3.271  13.281
  173    H3     U  18           H3         U  18  25.166  -4.556  16.191
  174    H5     U  18           H5         U  18  26.612  -5.447  12.352
  175    H6     U  18           H6         U  18  25.055  -3.968  11.455
  176   1H5*    U  19          1H5*        U  19  18.067  -2.656  12.459
  177   2H5*    U  19          2H5*        U  19  16.818  -1.711  11.734
  178    H4*    U  19           H4*        U  19  16.024  -2.463  14.013
  179    H3*    U  19           H3*        U  19  15.860   0.370  13.720
  180    H2*    U  19           H2*        U  19  18.311   0.608  14.600
  181   2HO*    U  19          2HO*        U  19  16.430   1.914  15.576
  182    H1*    U  19           H1*        U  19  17.121  -1.094  16.751
  183    H3     U  19           H3         U  19  20.580  -0.775  19.580
  184    H5     U  19           H5         U  19  22.420  -0.206  15.823
  185    H6     U  19           H6         U  19  20.283  -0.426  14.810
  186   1H5*    A  20          1H5*        A  20  13.441  -1.175  12.237
  187   2H5*    A  20          2H5*        A  20  11.915  -1.875  12.802
  188    H4*    A  20           H4*        A  20  13.229  -3.204  10.992
  189    H3*    A  20           H3*        A  20  12.444  -4.408  13.699
  190    H2*    A  20           H2*        A  20  13.308  -6.433  13.136
  191   2HO*    A  20          2HO*        A  20  13.904  -6.750  10.811
  192    H1*    A  20           H1*        A  20  15.385  -5.457  11.497
  193    H8     A  20           H8         A  20  14.088  -5.815  15.099
  194   1H6     A  20          1H6         A  20  19.893  -6.949  16.723
  195   2H6     A  20          2H6         A  20  18.221  -7.011  17.230
  196    H2     A  20           H2         A  20  19.940  -5.573  12.482
  197   1H5*    A  21          1H5*        A  21  10.653  -7.114   9.877
  198   2H5*    A  21          2H5*        A  21   9.917  -8.442  10.792
  199    H4*    A  21           H4*        A  21  12.119  -8.965   9.185
  200    H3*    A  21           H3*        A  21  11.355 -10.288  11.793
  201    H2*    A  21           H2*        A  21  13.491 -10.693  12.124
  202   2HO*    A  21          2HO*        A  21  14.069 -11.793   9.584
  203    H1*    A  21           H1*        A  21  14.247  -9.494   9.371
  204    H8     A  21           H8         A  21  15.163  -9.730  13.181
  205   1H6     A  21          1H6         A  21  19.636  -8.013  12.984
  206   2H6     A  21          2H6         A  21  20.675  -7.536  11.660
  207    H2     A  21           H2         A  21  18.419  -8.196   7.891
  208   1H5*    A  22          1H5*        A  22  12.637 -14.541   7.498
  209   2H5*    A  22          2H5*        A  22  13.977 -14.472   8.652
  210    H4*    A  22           H4*        A  22  13.544 -12.506   6.320
  211    H3*    A  22           H3*        A  22  15.310 -14.883   6.949
  212    H2*    A  22           H2*        A  22  17.240 -13.797   6.965
  213   2HO*    A  22          2HO*        A  22  17.822 -12.477   5.171
  214    H1*    A  22           H1*        A  22  16.238 -11.118   6.367
  215    H8     A  22           H8         A  22  16.102 -11.851   9.934
  216   1H6     A  22          1H6         A  22  22.153 -10.628  10.267
  217   2H6     A  22          2H6         A  22  20.743 -11.041  11.214
  218    H2     A  22           H2         A  22  21.028 -10.613   6.119
  219   1H5*    A  23          1H5*        A  23  17.327 -14.563   3.555
  220   2H5*    A  23          2H5*        A  23  17.034 -16.046   2.631
  221    H4*    A  23           H4*        A  23  19.330 -15.973   2.698
  222    H3*    A  23           H3*        A  23  18.696 -17.420   5.359
  223    H2*    A  23           H2*        A  23  21.264 -17.833   5.401
  224   2HO*    A  23          2HO*        A  23  21.230 -16.370   2.978
  225    H1*    A  23           H1*        A  23  21.727 -15.180   4.718
  226    H8     A  23           H8         A  23  18.725 -15.405   7.204
  227   1H6     A  23          1H6         A  23  22.963 -13.700  11.377
  228   2H6     A  23          2H6         A  23  21.266 -13.978  11.139
  229    H2     A  23           H2         A  23  25.035 -14.445   7.460
  230   1H5*    A  24          1H5*        A  24  21.870 -21.405   3.745
  231   2H5*    A  24          2H5*        A  24  20.773 -22.179   4.903
  232    H4*    A  24           H4*        A  24  23.279 -22.153   5.628
  233    H3*    A  24           H3*        A  24  21.056 -21.636   7.416
  234    H2*    A  24           H2*        A  24  22.286 -20.281   8.683
  235   2HO*    A  24          2HO*        A  24  23.628 -21.378   9.893
  236    H1*    A  24           H1*        A  24  24.820 -20.593   7.099
  237    H8     A  24           H8         A  24  22.322 -18.085   8.782
  238   1H6     A  24          1H6         A  24  27.358 -14.720   9.695
  239   2H6     A  24          2H6         A  24  25.698 -14.973  10.181
  240    H2     A  24           H2         A  24  28.271 -17.683   6.526
  241   1H5*    C  25          1H5*        C  25  20.302 -25.251   9.675
  242   2H5*    C  25          2H5*        C  25  21.280 -23.815   9.421
  243    H4*    C  25           H4*        C  25  23.151 -24.679  10.463
  244    H3*    C  25           H3*        C  25  22.244 -27.432   9.791
  245    H2*    C  25           H2*        C  25  23.604 -28.189  11.639
  246   2HO*    C  25          2HO*        C  25  24.911 -26.233  12.549
  247    H1*    C  25           H1*        C  25  23.218 -25.937  13.230
  248   1H4     C  25          1H4         C  25  20.083 -30.410  16.463
  249   2H4     C  25          2H4         C  25  19.135 -30.861  15.063
  250    H5     C  25           H5         C  25  19.394 -29.818  12.904
  251    H6     C  25           H6         C  25  20.603 -28.153  11.635
  252   1H5*    A  26          1H5*        A  26  26.077 -24.330  10.999
  253   2H5*    A  26          2H5*        A  26  25.144 -24.636   9.528
  254    H4*    A  26           H4*        A  26  27.426 -24.534   8.306
  255    H3*    A  26           H3*        A  26  28.163 -23.560  11.039
  256    H2*    A  26           H2*        A  26  29.053 -21.569  10.348
  257   2HO*    A  26          2HO*        A  26  30.549 -22.193   8.898
  258    H1*    A  26           H1*        A  26  27.552 -21.019   8.085
  259    H8     A  26           H8         A  26  25.104 -21.725  10.837
  260   1H6     A  26          1H6         A  26  26.648 -16.213  13.246
  261   2H6     A  26          2H6         A  26  25.573 -17.577  13.429
  262    H2     A  26           H2         A  26  29.438 -17.147   9.896
  263   1H5*    C  27          1H5*        C  27  32.491 -23.719   9.471
  264   2H5*    C  27          2H5*        C  27  33.321 -24.770  10.627
  265    H4*    C  27           H4*        C  27  34.595 -22.681  10.405
  266    H3*    C  27           H3*        C  27  32.959 -22.225  12.880
  267    H2*    C  27           H2*        C  27  34.459 -20.354  13.144
  268   2HO*    C  27          2HO*        C  27  36.389 -20.959  12.502
  269    H1*    C  27           H1*        C  27  34.231 -19.705  10.439
  270   1H4     C  27          1H4         C  27  29.326 -16.858  13.850
  271   2H4     C  27          2H4         C  27  30.554 -15.646  13.560
  272    H5     C  27           H5         C  27  29.627 -19.065  13.398
  273    H6     C  27           H6         C  27  30.870 -20.760  11.950
  274   1H5*    C  28          1H5*        C  28  38.072 -21.577  13.601
  275   2H5*    C  28          2H5*        C  28  37.935 -22.433  15.145
  276    H4*    C  28           H4*        C  28  39.232 -20.117  14.957
  277    H3*    C  28           H3*        C  28  37.520 -21.190  17.150
  278    H2*    C  28           H2*        C  28  37.486 -19.226  18.367
  279   2HO*    C  28          2HO*        C  28  39.788 -18.895  18.186
  280    H1*    C  28           H1*        C  28  37.280 -17.359  16.331
  281   1H4     C  28          1H4         C  28  31.439 -20.161  17.761
  282   2H4     C  28          2H4         C  28  31.525 -18.699  18.731
  283    H5     C  28           H5         C  28  33.173 -20.965  16.453
  284    H6     C  28           H6         C  28  35.330 -20.371  15.282
  285   1H5*    G  29          1H5*        G  29  40.392 -20.192  19.382
  286   2H5*    G  29          2H5*        G  29  41.216 -21.219  20.565
  287    H4*    G  29           H4*        G  29  39.944 -19.308  21.567
  288    H3*    G  29           H3*        G  29  38.590 -21.952  22.219
  289    H2*    G  29           H2*        G  29  37.108 -20.713  23.579
  290   2HO*    G  29          2HO*        G  29  37.482 -18.533  24.057
  291    H1*    G  29           H1*        G  29  36.878 -18.569  21.769
  292    H8     G  29           H8         G  29  36.514 -21.478  19.384
  293    H1     G  29           H1         G  29  30.995 -19.355  21.940
  294   1H2     G  29          1H2         G  29  33.256 -17.905  24.437
  295   2H2     G  29          2H2         G  29  31.602 -18.101  23.906
  296   1H5*    G  30          1H5*        G  30  39.136 -20.192  25.383
  297   2H5*    G  30          2H5*        G  30  39.323 -20.836  27.026
  298    H4*    G  30           H4*        G  30  37.144 -19.696  26.574
  299    H3*    G  30           H3*        G  30  37.088 -22.651  27.207
  300    H2*    G  30           H2*        G  30  34.802 -22.725  26.825
  301   2HO*    G  30          2HO*        G  30  34.940 -20.448  28.282
  302    H1*    G  30           H1*        G  30  34.745 -20.144  25.472
  303    H8     G  30           H8         G  30  35.955 -22.345  22.655
  304    H1     G  30           H1         G  30  29.601 -22.339  23.243
  305   1H2     G  30          1H2         G  30  30.088 -21.179  26.512
  306   2H2     G  30          2H2         G  30  28.957 -21.640  25.255
  Start of MODEL    9
    1   1H5*    A   3          1H5*        A   3  25.826  -5.255  26.539
    2   2H5*    A   3          2H5*        A   3  24.595  -4.343  27.397
    3    H4*    A   3           H4*        A   3  24.113  -3.186  25.590
    4    H3*    A   3           H3*        A   3  23.275  -5.769  24.045
    5    H2*    A   3           H2*        A   3  22.930  -4.438  22.185
    6   2HO*    A   3          2HO*        A   3  22.570  -2.302  22.230
    7    H1*    A   3           H1*        A   3  25.352  -2.924  22.548
    8    H8     A   3           H8         A   3  26.699  -5.977  22.850
    9   1H6     A   3          1H6         A   3  27.653  -6.739  18.179
   10   2H6     A   3          2H6         A   3  26.946  -6.089  16.688
   11    H2     A   3           H2         A   3  23.683  -3.273  17.980
   12   1H5*    G   4          1H5*        G   4  20.358  -4.313  23.017
   13   2H5*    G   4          2H5*        G   4  18.765  -5.022  23.347
   14    H4*    G   4           H4*        G   4  18.962  -4.675  21.013
   15    H3*    G   4           H3*        G   4  20.012  -7.667  21.034
   16    H2*    G   4           H2*        G   4  19.886  -7.521  18.630
   17   2HO*    G   4          2HO*        G   4  18.989  -5.665  17.652
   18    H1*    G   4           H1*        G   4  20.988  -4.998  18.588
   19    H8     G   4           H8         G   4  23.188  -6.641  20.938
   20    H1     G   4           H1         G   4  24.262  -7.586  14.661
   21   1H2     G   4          1H2         G   4  20.815  -6.515  14.616
   22   2H2     G   4          2H2         G   4  22.194  -7.032  13.683
   23   1H5*    U   5          1H5*        U   5  16.328  -7.851  18.933
   24   2H5*    U   5          2H5*        U   5  15.268  -9.224  19.293
   25    H4*    U   5           H4*        U   5  15.604  -9.028  16.872
   26    H3*    U   5           H3*        U   5  17.355 -11.378  17.815
   27    H2*    U   5           H2*        U   5  17.674 -11.779  15.477
   28   2HO*    U   5          2HO*        U   5  15.463 -10.069  15.273
   29    H1*    U   5           H1*        U   5  18.176  -9.223  14.904
   30    H3     U   5           H3         U   5  22.370 -10.414  14.605
   31    H5     U   5           H5         U   5  21.770  -9.699  18.721
   32    H6     U   5           H6         U   5  19.351  -9.630  18.286
   33   1H5*    G   6          1H5*        G   6  15.656 -12.703  14.953
   34   2H5*    G   6          2H5*        G   6  15.103 -14.386  14.834
   35    H4*    G   6           H4*        G   6  16.783 -13.897  13.233
   36    H3*    G   6           H3*        G   6  17.867 -15.629  15.430
   37    H2*    G   6           H2*        G   6  19.812 -15.852  14.057
   38   2HO*    G   6          2HO*        G   6  17.993 -15.269  12.061
   39    H1*    G   6           H1*        G   6  19.712 -13.389  13.060
   40    H8     G   6           H8         G   6  19.714 -12.900  16.808
   41    H1     G   6           H1         G   6  25.521 -13.225  14.130
   42   1H2     G   6          1H2         G   6  23.858 -14.746  11.421
   43   2H2     G   6          2H2         G   6  25.369 -14.195  12.109
   44   1H5*    G   7          1H5*        G   7  19.035 -19.379  15.921
   45   2H5*    G   7          2H5*        G   7  18.636 -17.640  15.889
   46    H4*    G   7           H4*        G   7  20.063 -18.092  13.537
   47    H3*    G   7           H3*        G   7  21.082 -20.059  15.486
   48    H2*    G   7           H2*        G   7  22.987 -18.824  16.120
   49   2HO*    G   7          2HO*        G   7  24.326 -17.946  14.413
   50    H1*    G   7           H1*        G   7  22.721 -16.674  14.464
   51    H8     G   7           H8         G   7  20.970 -15.778  17.603
   52    H1     G   7           H1         G   7  27.353 -14.910  17.586
   53   1H2     G   7          1H2         G   7  27.110 -17.200  14.820
   54   2H2     G   7          2H2         G   7  28.139 -16.220  15.838
   55   1H5*   CH   8          1H5*       CH   8  22.073 -23.926  14.913
   56   2H5*   CH   8          2H5*       CH   8  21.496 -22.311  15.410
   57    H4*   CH   8           H4*       CH   8  24.311 -22.612  14.183
   58    H3*   CH   8           H3*       CH   8  23.949 -23.435  17.255
   59    H2*   CH   8           H2*       CH   8  26.247 -22.668  17.320
   60   2HO*   CH   8          2HO*       CH   8  26.214 -23.242  14.472
   61    H1*   CH   8           H1*       CH   8  26.052 -21.079  15.244
   62    HN3   CH   8           HN3       CH   8  28.635 -18.828  18.017
   63   1H4    CH   8          1H4        CH   8  28.464 -17.498  19.334
   64   2H4    CH   8          2H4        CH   8  27.135 -16.851  20.229
   65    H5    CH   8           H5        CH   8  24.751 -18.332  19.679
   66    H6    CH   8           H6        CH   8  23.910 -19.979  17.989
   67   1H5*    G   9          1H5*        G   9  22.676 -27.214  18.767
   68   2H5*    G   9          2H5*        G   9  21.700 -25.729  18.588
   69    H4*    G   9           H4*        G   9  22.335 -26.277  20.967
   70    H3*    G   9           H3*        G   9  22.441 -23.813  19.704
   71    H2*    G   9           H2*        G   9  24.625 -23.433  19.422
   72   2HO*    G   9          2HO*        G   9  23.934 -22.681  21.860
   73    H1*    G   9           H1*        G   9  25.665 -25.118  21.686
   74    H8     G   9           H8         G   9  25.547 -25.090  17.818
   75    H1     G   9           H1         G   9  31.283 -26.213  20.341
   76   1H2     G   9          1H2         G   9  31.136 -26.273  22.553
   77   2H2     G   9          2H2         G   9  29.625 -26.031  23.402
   78   1H5*    C  10          1H5*        C  10  22.375 -23.368  24.404
   79   2H5*    C  10          2H5*        C  10  21.405 -21.994  24.875
   80    H4*    C  10           H4*        C  10  23.250 -22.079  26.480
   81    H3*    C  10           H3*        C  10  24.559 -20.280  24.389
   82    H2*    C  10           H2*        C  10  26.145 -19.922  25.874
   83   2HO*    C  10          2HO*        C  10  24.230 -20.893  27.657
   84    H1*    C  10           H1*        C  10  26.337 -22.688  26.344
   85   1H4     C  10          1H4         C  10  29.339 -23.743  20.787
   86   2H4     C  10          2H4         C  10  30.634 -23.255  21.874
   87    H5     C  10           H5         C  10  27.011 -23.423  21.285
   88    H6     C  10           H6         C  10  25.454 -23.004  22.898
   89   1H5*    C  11          1H5*        C  11  24.469 -15.778  28.174
   90   2H5*    C  11          2H5*        C  11  24.131 -15.539  26.471
   91    H4*    C  11           H4*        C  11  26.715 -16.469  27.709
   92    H3*    C  11           H3*        C  11  26.088 -14.817  25.234
   93    H2*    C  11           H2*        C  11  28.364 -15.161  24.693
   94   2HO*    C  11          2HO*        C  11  29.830 -15.967  26.304
   95    H1*    C  11           H1*        C  11  28.337 -17.688  26.071
   96   1H4     C  11          1H4         C  11  28.434 -20.490  20.505
   97   2H4     C  11          2H4         C  11  30.048 -20.173  20.934
   98    H5     C  11           H5         C  11  26.440 -19.413  21.642
   99    H6     C  11           H6         C  11  25.912 -17.897  23.360
  100   1H5*    G  12          1H5*        G  12  28.626 -12.028  26.885
  101   2H5*    G  12          2H5*        G  12  28.411 -10.372  26.217
  102    H4*    G  12           H4*        G  12  30.588 -11.654  25.544
  103    H3*    G  12           H3*        G  12  28.841 -11.039  23.078
  104    H2*    G  12           H2*        G  12  30.767 -11.548  21.975
  105   2HO*    G  12          2HO*        G  12  31.968 -11.131  24.430
  106    H1*    G  12           H1*        G  12  31.431 -13.618  23.394
  107    H8     G  12           H8         G  12  27.847 -14.255  22.754
  108    H1     G  12           H1         G  12  32.166 -16.967  18.813
  109   1H2     G  12          1H2         G  12  34.418 -14.743  20.349
  110   2H2     G  12          2H2         G  12  34.184 -16.049  19.197
  111   1H5*    A  13          1H5*        A  13  32.834  -7.544  21.209
  112   2H5*    A  13          2H5*        A  13  31.823  -8.619  20.228
  113    H4*    A  13           H4*        A  13  33.998  -9.057  19.480
  114    H3*    A  13           H3*        A  13  32.672 -11.072  20.984
  115    H2*    A  13           H2*        A  13  34.233 -11.703  22.519
  116   2HO*    A  13          2HO*        A  13  35.341 -12.326  20.081
  117    H1*    A  13           H1*        A  13  36.566 -10.300  21.599
  118    H8     A  13           H8         A  13  33.704 -10.205  24.248
  119   1H6     A  13          1H6         A  13  38.128  -8.519  28.164
  120   2H6     A  13          2H6         A  13  36.436  -8.931  27.999
  121    H2     A  13           H2         A  13  39.937  -8.765  24.059
  122   1H5*    C  14          1H5*        C  14  35.253 -13.762  18.632
  123   2H5*    C  14          2H5*        C  14  36.509 -13.681  17.410
  124    H4*    C  14           H4*        C  14  35.442 -15.454  16.547
  125    H3*    C  14           H3*        C  14  33.867 -13.074  15.580
  126    H2*    C  14           H2*        C  14  32.028 -14.481  14.889
  127   2HO*    C  14          2HO*        C  14  32.330 -16.605  14.490
  128    H1*    C  14           H1*        C  14  32.252 -16.350  16.710
  129   1H4     C  14          1H4         C  14  28.551 -12.535  20.282
  130   2H4     C  14          2H4         C  14  27.452 -13.495  19.324
  131    H5     C  14           H5         C  14  30.981 -12.490  19.821
  132    H6     C  14           H6         C  14  32.721 -13.312  18.327
  133   1H5*    C  15          1H5*        C  15  34.065 -15.248  11.350
  134   2H5*    C  15          2H5*        C  15  33.948 -13.778  10.372
  135    H4*    C  15           H4*        C  15  32.120 -15.748  10.303
  136    H3*    C  15           H3*        C  15  31.821 -12.776   9.932
  137    H2*    C  15           H2*        C  15  29.552 -12.970   9.785
  138   2HO*    C  15          2HO*        C  15  29.896 -15.045   8.505
  139    H1*    C  15           H1*        C  15  29.155 -15.278  11.326
  140   1H4     C  15          1H4         C  15  28.149 -11.672  16.503
  141   2H4     C  15          2H4         C  15  26.584 -12.191  15.947
  142    H5     C  15           H5         C  15  30.156 -11.952  15.314
  143    H6     C  15           H6         C  15  31.217 -12.779  13.194
  144   1H5*    A  16          1H5*        A  16  28.805 -12.536   5.706
  145   2H5*    A  16          2H5*        A  16  29.160 -11.342   6.943
  146    H4*    A  16           H4*        A  16  26.678 -12.855   6.365
  147    H3*    A  16           H3*        A  16  27.075 -10.099   7.599
  148    H2*    A  16           H2*        A  16  24.799 -10.434   8.623
  149   2HO*    A  16          2HO*        A  16  24.603 -12.275   6.414
  150    H1*    A  16           H1*        A  16  24.906 -12.908   9.003
  151    H8     A  16           H8         A  16  28.099 -11.450  10.407
  152   1H6     A  16          1H6         A  16  26.399 -10.597  14.808
  153   2H6     A  16          2H6         A  16  24.766 -10.399  15.462
  154    H2     A  16           H2         A  16  21.961 -11.017  12.073
  155   1H5*    C  17          1H5*        C  17  23.905  -8.425   5.314
  156   2H5*    C  17          2H5*        C  17  24.256  -6.718   5.508
  157    H4*    C  17           H4*        C  17  22.332  -7.911   6.922
  158    H3*    C  17           H3*        C  17  24.327  -5.986   8.112
  159    H2*    C  17           H2*        C  17  23.006  -5.971  10.056
  160   2HO*    C  17          2HO*        C  17  21.010  -7.009  10.158
  161    H1*    C  17           H1*        C  17  22.494  -8.522  10.022
  162   1H4     C  17          1H4         C  17  27.690  -8.741  13.788
  163   2H4     C  17          2H4         C  17  26.354  -8.225  14.748
  164    H5     C  17           H5         C  17  27.571  -8.804  11.104
  165    H6     C  17           H6         C  17  25.988  -8.646   9.341
  166   1H5*    U  18          1H5*        U  18  21.370  -1.168   8.768
  167   2H5*    U  18          2H5*        U  18  23.059  -1.602   8.917
  168    H4*    U  18           H4*        U  18  20.766  -2.685  10.618
  169    H3*    U  18           H3*        U  18  22.194  -0.296  10.999
  170    H2*    U  18           H2*        U  18  23.851  -1.229  12.590
  171   2HO*    U  18          2HO*        U  18  22.444  -2.106  14.485
  172    H1*    U  18           H1*        U  18  21.999  -3.299  13.106
  173    H3     U  18           H3         U  18  25.162  -4.517  16.001
  174    H5     U  18           H5         U  18  26.450  -5.536  12.132
  175    H6     U  18           H6         U  18  24.861  -4.050  11.280
  176   1H5*    U  19          1H5*        U  19  18.185  -2.271  12.393
  177   2H5*    U  19          2H5*        U  19  16.871  -1.356  11.739
  178    H4*    U  19           H4*        U  19  16.183  -2.092  14.043
  179    H3*    U  19           H3*        U  19  16.046   0.721  13.759
  180    H2*    U  19           H2*        U  19  18.547   0.938  14.530
  181   2HO*    U  19          2HO*        U  19  16.916   2.377  15.554
  182    H1*    U  19           H1*        U  19  17.438  -0.744  16.736
  183    H3     U  19           H3         U  19  21.041  -0.616  19.397
  184    H5     U  19           H5         U  19  22.719  -0.158  15.541
  185    H6     U  19           H6         U  19  20.558  -0.208  14.656
  186   1H5*    A  20          1H5*        A  20  14.435  -0.791  12.150
  187   2H5*    A  20          2H5*        A  20  12.773  -1.359  12.385
  188    H4*    A  20           H4*        A  20  14.173  -2.635  10.645
  189    H3*    A  20           H3*        A  20  12.296  -3.576  12.448
  190    H2*    A  20           H2*        A  20  13.584  -4.969  13.804
  191   2HO*    A  20          2HO*        A  20  14.339  -6.921  12.523
  192    H1*    A  20           H1*        A  20  15.772  -5.306  11.749
  193    H8     A  20           H8         A  20  14.938  -4.450  15.455
  194   1H6     A  20          1H6         A  20  19.400  -4.436  17.275
  195   2H6     A  20          2H6         A  20  20.982  -4.632  16.560
  196    H2     A  20           H2         A  20  20.386  -5.123  12.172
  197   1H5*    A  21          1H5*        A  21  12.297  -7.303   8.423
  198   2H5*    A  21          2H5*        A  21  10.915  -8.038   9.258
  199    H4*    A  21           H4*        A  21  12.608  -9.680   8.353
  200    H3*    A  21           H3*        A  21  11.659  -9.625  11.204
  201    H2*    A  21           H2*        A  21  13.526 -10.680  12.126
  202   2HO*    A  21          2HO*        A  21  14.295 -12.499  11.163
  203    H1*    A  21           H1*        A  21  15.243 -10.796   9.977
  204    H8     A  21           H8         A  21  14.260  -8.724  13.044
  205   1H6     A  21          1H6         A  21  18.957  -7.325  14.087
  206   2H6     A  21          2H6         A  21  20.422  -7.558  13.169
  207    H2     A  21           H2         A  21  19.418  -9.924   9.554
  208   1H5*    A  22          1H5*        A  22  12.411 -14.791   7.593
  209   2H5*    A  22          2H5*        A  22  13.786 -15.002   8.666
  210    H4*    A  22           H4*        A  22  13.581 -12.968   6.371
  211    H3*    A  22           H3*        A  22  15.107 -15.513   6.933
  212    H2*    A  22           H2*        A  22  17.137 -14.629   6.596
  213   2HO*    A  22          2HO*        A  22  17.468 -13.117   4.817
  214    H1*    A  22           H1*        A  22  16.373 -11.831   6.334
  215    H8     A  22           H8         A  22  16.729 -13.401   9.792
  216   1H6     A  22          1H6         A  22  21.363 -12.460  10.675
  217   2H6     A  22          2H6         A  22  22.609 -11.673   9.732
  218    H2     A  22           H2         A  22  20.963 -10.569   5.933
  219   1H5*    A  23          1H5*        A  23  17.052 -14.943   3.910
  220   2H5*    A  23          2H5*        A  23  16.823 -16.260   2.748
  221    H4*    A  23           H4*        A  23  19.070 -16.304   2.855
  222    H3*    A  23           H3*        A  23  18.435 -17.872   5.438
  223    H2*    A  23           H2*        A  23  21.019 -18.261   5.487
  224   2HO*    A  23          2HO*        A  23  22.052 -17.906   3.734
  225    H1*    A  23           H1*        A  23  21.475 -15.622   4.861
  226    H8     A  23           H8         A  23  18.559 -16.089   7.425
  227   1H6     A  23          1H6         A  23  21.094 -14.390  11.292
  228   2H6     A  23          2H6         A  23  22.719 -13.849  11.415
  229    H2     A  23           H2         A  23  24.719 -14.529   7.426
  230   1H5*    A  24          1H5*        A  24  21.861 -21.668   3.613
  231   2H5*    A  24          2H5*        A  24  20.772 -22.443   4.779
  232    H4*    A  24           H4*        A  24  23.284 -22.324   5.511
  233    H3*    A  24           H3*        A  24  21.033 -21.906   7.304
  234    H2*    A  24           H2*        A  24  22.216 -20.527   8.549
  235   2HO*    A  24          2HO*        A  24  23.347 -21.782   9.784
  236    H1*    A  24           H1*        A  24  24.754 -20.784   6.962
  237    H8     A  24           H8         A  24  22.266 -18.337   8.740
  238   1H6     A  24          1H6         A  24  25.585 -15.010   9.865
  239   2H6     A  24          2H6         A  24  27.209 -14.721   9.292
  240    H2     A  24           H2         A  24  28.083 -17.771   6.203
  241   1H5*    C  25          1H5*        C  25  20.067 -25.539   8.407
  242   2H5*    C  25          2H5*        C  25  21.386 -24.366   8.585
  243    H4*    C  25           H4*        C  25  21.643 -25.923  10.331
  244    H3*    C  25           H3*        C  25  23.657 -25.580   8.494
  245    H2*    C  25           H2*        C  25  23.104 -27.205   7.119
  246   2HO*    C  25          2HO*        C  25  24.636 -28.824   8.884
  247    H1*    C  25           H1*        C  25  22.559 -29.200   9.301
  248   1H4     C  25          1H4         C  25  19.318 -32.818   5.293
  249   2H4     C  25          2H4         C  25  19.521 -31.681   3.980
  250    H5     C  25           H5         C  25  20.813 -29.658   4.223
  251    H6     C  25           H6         C  25  21.478 -27.945   5.845
  252   1H5*    A  26          1H5*        A  26  26.001 -23.801  11.410
  253   2H5*    A  26          2H5*        A  26  24.958 -24.414  10.118
  254    H4*    A  26           H4*        A  26  27.104 -24.545   8.696
  255    H3*    A  26           H3*        A  26  28.118 -23.256  11.151
  256    H2*    A  26           H2*        A  26  28.850 -21.294  10.233
  257   2HO*    A  26          2HO*        A  26  30.257 -22.218   8.757
  258    H1*    A  26           H1*        A  26  27.216 -20.947   8.047
  259    H8     A  26           H8         A  26  24.850 -21.575  10.833
  260   1H6     A  26          1H6         A  26  26.339 -16.057  13.188
  261   2H6     A  26          2H6         A  26  25.285 -17.438  13.376
  262    H2     A  26           H2         A  26  29.149 -17.000   9.826
  263   1H5*    C  27          2H5*        C  27  31.607 -23.640   9.302
  264   2H5*    C  27          1H5*        C  27  33.004 -24.568   9.871
  265    H4*    C  27           H4*        C  27  33.565 -22.153   9.681
  266    H3*    C  27           H3*        C  27  33.346 -22.621  12.627
  267    H2*    C  27           H2*        C  27  33.949 -20.390  12.773
  268   2HO*    C  27          2HO*        C  27  35.864 -20.645  11.603
  269    H1*    C  27           H1*        C  27  33.028 -19.730  10.106
  270   1H4     C  27          1H4         C  27  30.084 -15.301  13.306
  271   2H4     C  27          2H4         C  27  28.793 -16.408  13.719
  272    H5     C  27           H5         C  27  29.076 -18.722  13.651
  273    H6     C  27           H6         C  27  30.146 -20.562  12.310
  274   1H5*    C  28          1H5*        C  28  37.603 -22.630  14.969
  275   2H5*    C  28          2H5*        C  28  36.021 -21.981  15.418
  276    H4*    C  28           H4*        C  28  38.526 -20.398  14.709
  277    H3*    C  28           H3*        C  28  37.210 -21.261  17.198
  278    H2*    C  28           H2*        C  28  36.685 -19.250  18.119
  279   2HO*    C  28          2HO*        C  28  38.867 -18.169  16.630
  280    H1*    C  28           H1*        C  28  36.525 -17.509  15.952
  281   1H4     C  28          1H4         C  28  30.649 -20.281  17.395
  282   2H4     C  28          2H4         C  28  30.767 -18.898  18.463
  283    H5     C  28           H5         C  28  32.308 -20.992  15.965
  284    H6     C  28           H6         C  28  34.507 -20.470  14.898
  285   1H5*    G  29          1H5*        G  29  40.552 -19.862  19.181
  286   2H5*    G  29          2H5*        G  29  41.363 -20.977  20.297
  287    H4*    G  29           H4*        G  29  40.203 -18.966  21.352
  288    H3*    G  29           H3*        G  29  38.867 -21.581  22.125
  289    H2*    G  29           H2*        G  29  37.544 -20.280  23.634
  290   2HO*    G  29          2HO*        G  29  39.652 -18.526  23.356
  291    H1*    G  29           H1*        G  29  37.101 -18.251  21.761
  292    H8     G  29           H8         G  29  36.746 -21.330  19.581
  293    H1     G  29           H1         G  29  31.257 -19.220  22.198
  294   1H2     G  29          1H2         G  29  33.577 -17.506  24.467
  295   2H2     G  29          2H2         G  29  31.910 -17.796  24.031
  296   1H5*    G  30          1H5*        G  30  40.578 -20.144  25.423
  297   2H5*    G  30          2H5*        G  30  40.993 -21.005  26.918
  298    H4*    G  30           H4*        G  30  38.856 -19.671  26.971
  299    H3*    G  30           H3*        G  30  38.697 -22.671  27.335
  300    H2*    G  30           H2*        G  30  36.375 -22.535  27.567
  301   2HO*    G  30          2HO*        G  30  37.044 -20.218  28.826
  302    H1*    G  30           H1*        G  30  36.118 -20.084  26.094
  303    H8     G  30           H8         G  30  37.270 -22.448  23.368
  304    H1     G  30           H1         G  30  30.964 -22.289  24.136
  305   1H2     G  30          1H2         G  30  31.563 -20.939  27.308
  306   2H2     G  30          2H2         G  30  30.387 -21.455  26.114
  Start of MODEL   10
    1   1H5*    A   3          1H5*        A   3  23.785  -3.563  21.180
    2   2H5*    A   3          2H5*        A   3  23.329  -1.916  21.697
    3    H4*    A   3           H4*        A   3  22.039  -3.419  23.041
    4    H3*    A   3           H3*        A   3  23.768  -2.697  25.101
    5    H2*    A   3           H2*        A   3  25.663  -3.870  24.255
    6   2HO*    A   3          2HO*        A   3  24.348  -5.064  26.289
    7    H1*    A   3           H1*        A   3  24.141  -6.189  23.779
    8    H8     A   3           H8         A   3  27.064  -6.550  23.537
    9   1H6     A   3          1H6         A   3  28.546  -6.952  18.805
   10   2H6     A   3          2H6         A   3  27.868  -6.243  17.324
   11    H2     A   3           H2         A   3  24.260  -3.916  18.518
   12   1H5*    G   4          1H5*        G   4  20.552  -4.714  24.009
   13   2H5*    G   4          2H5*        G   4  19.197  -5.710  24.348
   14    H4*    G   4           H4*        G   4  19.382  -5.064  21.940
   15    H3*    G   4           H3*        G   4  20.437  -8.068  21.793
   16    H2*    G   4           H2*        G   4  20.403  -7.780  19.400
   17   2HO*    G   4          2HO*        G   4  18.715  -5.587  20.104
   18    H1*    G   4           H1*        G   4  21.459  -5.276  19.526
   19    H8     G   4           H8         G   4  23.552  -7.000  21.828
   20    H1     G   4           H1         G   4  24.815  -7.647  15.594
   21   1H2     G   4          1H2         G   4  21.362  -6.552  15.544
   22   2H2     G   4          2H2         G   4  22.752  -7.018  14.606
   23   1H5*    U   5          1H5*        U   5  16.917  -8.087  19.481
   24   2H5*    U   5          2H5*        U   5  15.769  -9.393  19.785
   25    H4*    U   5           H4*        U   5  16.160  -9.216  17.388
   26    H3*    U   5           H3*        U   5  17.810 -11.636  18.342
   27    H2*    U   5           H2*        U   5  18.272 -11.978  16.022
   28   2HO*    U   5          2HO*        U   5  16.087 -10.264  15.740
   29    H1*    U   5           H1*        U   5  18.779  -9.414  15.486
   30    H3     U   5           H3         U   5  22.944 -10.648  15.245
   31    H5     U   5           H5         U   5  22.344  -9.888  19.320
   32    H6     U   5           H6         U   5  19.917  -9.858  18.867
   33   1H5*    G   6          1H5*        G   6  15.784 -13.263  15.023
   34   2H5*    G   6          2H5*        G   6  15.321 -14.954  15.303
   35    H4*    G   6           H4*        G   6  16.809 -14.597  13.381
   36    H3*    G   6           H3*        G   6  18.003 -16.195  15.652
   37    H2*    G   6           H2*        G   6  19.788 -16.691  14.104
   38   2HO*    G   6          2HO*        G   6  17.827 -15.967  12.270
   39    H1*    G   6           H1*        G   6  19.833 -14.204  13.076
   40    H8     G   6           H8         G   6  19.803 -13.730  16.839
   41    H1     G   6           H1         G   6  25.569 -13.933  14.119
   42   1H2     G   6          1H2         G   6  23.874 -15.431  11.402
   43   2H2     G   6          2H2         G   6  25.400 -14.879  12.065
   44   1H5*    G   7          1H5*        G   7  19.463 -19.663  16.616
   45   2H5*    G   7          2H5*        G   7  19.381 -17.911  16.259
   46    H4*    G   7           H4*        G   7  19.955 -19.485  13.876
   47    H3*    G   7           H3*        G   7  21.705 -20.009  16.307
   48    H2*    G   7           H2*        G   7  23.665 -19.797  14.777
   49   2HO*    G   7          2HO*        G   7  23.392 -19.686  12.651
   50    H1*    G   7           H1*        G   7  23.026 -17.617  13.839
   51    H8     G   7           H8         G   7  21.255 -16.965  16.995
   52    H1     G   7           H1         G   7  27.585 -15.777  17.316
   53   1H2     G   7          1H2         G   7  27.586 -17.799  14.321
   54   2H2     G   7          2H2         G   7  28.504 -16.849  15.469
   55   1H5*   CH   8          1H5*       CH   8  22.650 -23.131  13.768
   56   2H5*   CH   8          2H5*       CH   8  23.160 -24.731  14.287
   57    H4*   CH   8           H4*       CH   8  25.098 -23.491  13.144
   58    H3*   CH   8           H3*       CH   8  25.439 -23.318  16.317
   59    H2*   CH   8           H2*       CH   8  27.866 -22.671  15.337
   60   2HO*   CH   8          2HO*       CH   8  28.097 -22.524  13.166
   61    H1*   CH   8           H1*       CH   8  27.004 -21.104  13.898
   62    HN3   CH   8           HN3       CH   8  29.261 -19.169  17.165
   63   1H4    CH   8          1H4        CH   8  28.928 -18.071  18.663
   64   2H4    CH   8          2H4        CH   8  27.497 -17.662  19.562
   65    H5    CH   8           H5        CH   8  25.254 -19.044  18.575
   66    H6    CH   8           H6        CH   8  24.623 -20.473  16.639
   67   1H5*    G   9          1H5*        G   9  24.727 -24.105  18.585
   68   2H5*    G   9          2H5*        G   9  24.391 -25.814  18.968
   69    H4*    G   9           H4*        G   9  22.394 -23.690  18.032
   70    H3*    G   9           H3*        G   9  23.215 -24.747  20.701
   71    H2*    G   9           H2*        G   9  21.069 -25.034  21.493
   72   2HO*    G   9          2HO*        G   9  20.347 -22.975  20.857
   73    H1*    G   9           H1*        G   9  19.846 -25.854  19.160
   74    H8     G   9           H8         G   9  19.307 -27.777  20.931
   75    H1     G   9           H1         G   9  25.325 -29.871  20.708
   76   1H2     G   9          1H2         G   9  25.937 -26.966  18.880
   77   2H2     G   9          2H2         G   9  26.584 -28.434  19.576
   78   1H5*    C  10          1H5*        C  10  21.029 -23.107  24.093
   79   2H5*    C  10          2H5*        C  10  20.202 -21.502  24.067
   80    H4*    C  10           H4*        C  10  21.859 -21.463  25.896
   81    H3*    C  10           H3*        C  10  23.384 -20.154  23.597
   82    H2*    C  10           H2*        C  10  24.875 -19.535  25.191
   83   2HO*    C  10          2HO*        C  10  22.730 -20.048  26.923
   84    H1*    C  10           H1*        C  10  24.916 -22.184  26.226
   85   1H4     C  10          1H4         C  10  29.055 -23.774  21.971
   86   2H4     C  10          2H4         C  10  29.967 -22.604  22.920
   87    H5     C  10           H5         C  10  26.766 -24.175  22.336
   88    H6     C  10           H6         C  10  24.692 -23.401  23.282
   89   1H5*    C  11          1H5*        C  11  22.958 -17.966  26.318
   90   2H5*    C  11          2H5*        C  11  22.917 -16.281  26.842
   91    H4*    C  11           H4*        C  11  25.179 -17.150  27.189
   92    H3*    C  11           H3*        C  11  25.111 -15.475  24.651
   93    H2*    C  11           H2*        C  11  27.454 -15.732  24.602
   94   2HO*    C  11          2HO*        C  11  28.629 -16.448  26.388
   95    H1*    C  11           H1*        C  11  27.337 -18.338  25.699
   96   1H4     C  11          1H4         C  11  27.661 -20.505  19.802
   97   2H4     C  11          2H4         C  11  29.266 -20.169  20.248
   98    H5     C  11           H5         C  11  25.685 -19.713  21.041
   99    H6     C  11           H6         C  11  25.105 -18.373  22.853
  100   1H5*    G  12          1H5*        G  12  28.158 -13.914  26.638
  101   2H5*    G  12          2H5*        G  12  28.258 -12.132  26.550
  102    H4*    G  12           H4*        G  12  30.379 -13.198  25.819
  103    H3*    G  12           H3*        G  12  28.920 -12.249  23.281
  104    H2*    G  12           H2*        G  12  30.938 -12.720  22.242
  105   2HO*    G  12          2HO*        G  12  31.938 -12.646  24.834
  106    H1*    G  12           H1*        G  12  31.449 -14.884  23.484
  107    H8     G  12           H8         G  12  27.955 -15.465  22.477
  108    H1     G  12           H1         G  12  32.672 -17.340  18.570
  109   1H2     G  12          1H2         G  12  34.661 -15.318  20.604
  110   2H2     G  12          2H2         G  12  34.589 -16.414  19.233
  111   1H5*    A  13          1H5*        A  13  31.580  -8.803  21.613
  112   2H5*    A  13          2H5*        A  13  30.401  -9.831  20.800
  113    H4*    A  13           H4*        A  13  31.848 -10.422  19.111
  114    H3*    A  13           H3*        A  13  33.703 -11.018  21.222
  115    H2*    A  13           H2*        A  13  34.828  -9.017  21.241
  116   2HO*    A  13          2HO*        A  13  36.541  -9.013  19.643
  117    H1*    A  13           H1*        A  13  34.355  -8.348  18.355
  118    H8     A  13           H8         A  13  32.607  -6.188  20.543
  119   1H6     A  13          1H6         A  13  35.962  -3.075  22.060
  120   2H6     A  13          2H6         A  13  37.704  -3.025  21.904
  121    H2     A  13           H2         A  13  38.913  -6.773  19.729
  122   1H5*    C  14          1H5*        C  14  34.897 -13.601  18.629
  123   2H5*    C  14          2H5*        C  14  36.461 -13.910  17.996
  124    H4*    C  14           H4*        C  14  35.785 -15.363  16.486
  125    H3*    C  14           H3*        C  14  33.889 -13.187  15.598
  126    H2*    C  14           H2*        C  14  32.314 -14.839  14.741
  127   2HO*    C  14          2HO*        C  14  33.029 -16.888  14.265
  128    H1*    C  14           H1*        C  14  32.705 -16.742  16.461
  129   1H4     C  14          1H4         C  14  28.503 -13.577  20.231
  130   2H4     C  14          2H4         C  14  27.512 -14.499  19.125
  131    H5     C  14           H5         C  14  30.875 -13.310  19.905
  132    H6     C  14           H6         C  14  32.723 -13.871  18.465
  133   1H5*    C  15          1H5*        C  15  34.414 -14.196  10.654
  134   2H5*    C  15          2H5*        C  15  33.643 -12.644  10.428
  135    H4*    C  15           H4*        C  15  32.595 -15.202   9.856
  136    H3*    C  15           H3*        C  15  31.138 -12.596  10.177
  137    H2*    C  15           H2*        C  15  29.195 -13.642   9.647
  138   2HO*    C  15          2HO*        C  15  29.149 -15.563   8.830
  139    H1*    C  15           H1*        C  15  29.557 -15.918  11.174
  140   1H4     C  15          1H4         C  15  28.179 -12.417  16.501
  141   2H4     C  15          2H4         C  15  26.612 -12.943  15.954
  142    H5     C  15           H5         C  15  30.085 -12.635  15.374
  143    H6     C  15           H6         C  15  31.206 -13.348  13.341
  144   1H5*    A  16          1H5*        A  16  28.514 -13.080   5.734
  145   2H5*    A  16          2H5*        A  16  29.088 -11.912   6.912
  146    H4*    A  16           H4*        A  16  26.490 -13.443   6.786
  147    H3*    A  16           H3*        A  16  27.102 -10.563   7.482
  148    H2*    A  16           H2*        A  16  25.154 -10.709   9.128
  149   2HO*    A  16          2HO*        A  16  24.319 -12.564   7.118
  150    H1*    A  16           H1*        A  16  25.193 -13.252   9.516
  151    H8     A  16           H8         A  16  28.527 -11.871  10.772
  152   1H6     A  16          1H6         A  16  26.961 -10.918  15.305
  153   2H6     A  16          2H6         A  16  25.345 -10.685  16.003
  154    H2     A  16           H2         A  16  22.427 -11.238  12.654
  155   1H5*    C  17          1H5*        C  17  23.543  -7.455   6.079
  156   2H5*    C  17          2H5*        C  17  25.214  -7.481   6.681
  157    H4*    C  17           H4*        C  17  22.622  -8.054   8.207
  158    H3*    C  17           H3*        C  17  24.634  -5.818   8.677
  159    H2*    C  17           H2*        C  17  23.728  -5.693  10.826
  160   2HO*    C  17          2HO*        C  17  21.761  -6.792  11.337
  161    H1*    C  17           H1*        C  17  23.087  -8.365  10.932
  162   1H4     C  17          1H4         C  17  28.245  -8.767  14.721
  163   2H4     C  17          2H4         C  17  26.892  -8.298  15.686
  164    H5     C  17           H5         C  17  28.173  -8.683  12.046
  165    H6     C  17           H6         C  17  26.653  -8.391  10.277
  166   1H5*    U  18          1H5*        U  18  22.226  -1.178   9.517
  167   2H5*    U  18          2H5*        U  18  23.808  -1.948   9.405
  168    H4*    U  18           H4*        U  18  21.713  -3.010  11.322
  169    H3*    U  18           H3*        U  18  22.977  -0.464  11.747
  170    H2*    U  18           H2*        U  18  24.572  -1.378  13.416
  171   2HO*    U  18          2HO*        U  18  21.930  -1.650  14.296
  172    H1*    U  18           H1*        U  18  22.883  -3.614  13.609
  173    H3     U  18           H3         U  18  25.969  -4.807  16.625
  174    H5     U  18           H5         U  18  27.609  -5.357  12.820
  175    H6     U  18           H6         U  18  25.945  -3.975  11.944
  176   1H5*    U  19          1H5*        U  19  18.619  -2.081  12.430
  177   2H5*    U  19          2H5*        U  19  17.414  -0.856  11.990
  178    H4*    U  19           H4*        U  19  16.648  -2.106  14.069
  179    H3*    U  19           H3*        U  19  16.489   0.680  14.111
  180    H2*    U  19           H2*        U  19  18.949   0.844  15.110
  181   2HO*    U  19          2HO*        U  19  18.375   1.750  17.098
  182    H1*    U  19           H1*        U  19  17.694  -1.105  16.997
  183    H3     U  19           H3         U  19  21.131  -1.115  19.903
  184    H5     U  19           H5         U  19  23.023  -0.465  16.172
  185    H6     U  19           H6         U  19  20.914  -0.488  15.171
  186   1H5*    A  20          1H5*        A  20  14.440  -0.860  12.301
  187   2H5*    A  20          2H5*        A  20  12.842  -1.517  12.715
  188    H4*    A  20           H4*        A  20  14.162  -2.866  10.930
  189    H3*    A  20           H3*        A  20  13.298  -4.107  13.590
  190    H2*    A  20           H2*        A  20  14.150  -6.157  13.004
  191   2HO*    A  20          2HO*        A  20  14.302  -6.807  10.943
  192    H1*    A  20           H1*        A  20  16.317  -5.171  11.520
  193    H8     A  20           H8         A  20  14.835  -5.603  15.022
  194   1H6     A  20          1H6         A  20  20.601  -5.860  17.139
  195   2H6     A  20          2H6         A  20  18.914  -6.059  17.546
  196    H2     A  20           H2         A  20  20.779  -4.809  12.777
  197   1H5*    A  21          1H5*        A  21  12.713  -6.595   9.625
  198   2H5*    A  21          2H5*        A  21  11.190  -7.452   9.935
  199    H4*    A  21           H4*        A  21  12.915  -9.041   9.212
  200    H3*    A  21           H3*        A  21  11.827  -9.174  12.007
  201    H2*    A  21           H2*        A  21  13.586 -10.289  12.908
  202   2HO*    A  21          2HO*        A  21  13.974 -11.667  10.488
  203    H1*    A  21           H1*        A  21  15.411 -10.343  10.818
  204    H8     A  21           H8         A  21  15.114  -9.563  14.312
  205   1H6     A  21          1H6         A  21  20.737  -7.112  13.784
  206   2H6     A  21          2H6         A  21  19.553  -7.741  14.907
  207    H2     A  21           H2         A  21  19.041  -7.533   9.683
  208   1H5*    A  22          1H5*        A  22  12.186 -14.097   7.771
  209   2H5*    A  22          2H5*        A  22  13.595 -14.399   8.783
  210    H4*    A  22           H4*        A  22  13.263 -12.075   6.801
  211    H3*    A  22           H3*        A  22  14.613 -14.635   6.696
  212    H2*    A  22           H2*        A  22  16.677 -13.936   7.295
  213   2HO*    A  22          2HO*        A  22  17.623 -12.323   5.768
  214    H1*    A  22           H1*        A  22  16.097 -11.023   6.978
  215    H8     A  22           H8         A  22  16.245 -12.712  10.429
  216   1H6     A  22          1H6         A  22  22.110 -10.782  10.679
  217   2H6     A  22          2H6         A  22  20.813 -11.516  11.595
  218    H2     A  22           H2         A  22  20.683  -9.942   6.724
  219   1H5*    A  23          1H5*        A  23  16.015 -17.021   3.965
  220   2H5*    A  23          2H5*        A  23  15.417 -16.306   5.510
  221    H4*    A  23           H4*        A  23  18.327 -16.080   4.386
  222    H3*    A  23           H3*        A  23  17.740 -18.100   6.735
  223    H2*    A  23           H2*        A  23  20.144 -17.807   7.242
  224   2HO*    A  23          2HO*        A  23  20.938 -17.945   5.316
  225    H1*    A  23           H1*        A  23  20.121 -15.126   6.227
  226    H8     A  23           H8         A  23  17.551 -14.903   9.070
  227   1H6     A  23          1H6         A  23  20.723 -12.995  12.130
  228   2H6     A  23          2H6         A  23  22.449 -13.016  12.215
  229    H2     A  23           H2         A  23  23.907 -14.711   8.334
  230   1H5*    A  24          1H5*        A  24  23.221 -19.086   5.361
  231   2H5*    A  24          2H5*        A  24  22.194 -18.725   3.983
  232    H4*    A  24           H4*        A  24  22.258 -20.792   3.234
  233    H3*    A  24           H3*        A  24  21.539 -21.588   5.758
  234    H2*    A  24           H2*        A  24  23.431 -22.428   6.889
  235   2HO*    A  24          2HO*        A  24  24.766 -23.952   5.849
  236    H1*    A  24           H1*        A  24  25.567 -21.898   5.261
  237    H8     A  24           H8         A  24  22.896 -20.409   7.582
  238   1H6     A  24          1H6         A  24  27.113 -16.602   9.783
  239   2H6     A  24          2H6         A  24  25.549 -17.332  10.035
  240    H2     A  24           H2         A  24  28.714 -18.351   5.935
  241   1H5*    C  25          1H5*        C  25  21.956 -23.989   7.370
  242   2H5*    C  25          2H5*        C  25  23.546 -24.632   6.955
  243    H4*    C  25           H4*        C  25  21.624 -25.602   8.830
  244    H3*    C  25           H3*        C  25  24.316 -26.750   7.963
  245    H2*    C  25           H2*        C  25  23.853 -28.605   9.237
  246   2HO*    C  25          2HO*        C  25  23.243 -27.374  11.101
  247    H1*    C  25           H1*        C  25  21.093 -28.654   8.854
  248   1H4     C  25          1H4         C  25  24.044 -32.211   4.117
  249   2H4     C  25          2H4         C  25  23.459 -33.379   5.279
  250    H5     C  25           H5         C  25  23.714 -29.806   4.384
  251    H6     C  25           H6         C  25  23.225 -28.073   6.025
  252   1H5*    A  26          1H5*        A  26  28.262 -26.046  10.424
  253   2H5*    A  26          2H5*        A  26  27.753 -24.433  10.895
  254    H4*    A  26           H4*        A  26  29.007 -25.320   8.294
  255    H3*    A  26           H3*        A  26  29.847 -23.791  10.666
  256    H2*    A  26           H2*        A  26  30.390 -21.813   9.668
  257   2HO*    A  26          2HO*        A  26  31.916 -22.359   8.264
  258    H1*    A  26           H1*        A  26  28.812 -21.751   7.431
  259    H8     A  26           H8         A  26  26.343 -22.501   9.987
  260   1H6     A  26          1H6         A  26  27.438 -17.034  12.743
  261   2H6     A  26          2H6         A  26  26.447 -18.468  12.829
  262    H2     A  26           H2         A  26  30.477 -17.662   9.524
  263   1H5*    C  27          1H5*        C  27  33.109 -23.513   8.944
  264   2H5*    C  27          2H5*        C  27  34.671 -24.254   9.343
  265    H4*    C  27           H4*        C  27  34.992 -21.844   9.356
  266    H3*    C  27           H3*        C  27  34.630 -22.470  12.247
  267    H2*    C  27           H2*        C  27  34.965 -20.192  12.582
  268   2HO*    C  27          2HO*        C  27  36.344 -20.240  10.097
  269    H1*    C  27           H1*        C  27  34.174 -19.481   9.877
  270   1H4     C  27          1H4         C  27  29.483 -16.798  13.568
  271   2H4     C  27          2H4         C  27  30.678 -15.551  13.293
  272    H5     C  27           H5         C  27  29.917 -19.034  13.225
  273    H6     C  27           H6         C  27  31.222 -20.680  11.808
  274   1H5*    C  28          1H5*        C  28  38.684 -22.486  14.971
  275   2H5*    C  28          2H5*        C  28  37.053 -21.935  15.374
  276    H4*    C  28           H4*        C  28  39.547 -20.244  14.979
  277    H3*    C  28           H3*        C  28  37.991 -21.243  17.266
  278    H2*    C  28           H2*        C  28  37.298 -19.276  18.191
  279   2HO*    C  28          2HO*        C  28  39.572 -18.066  16.965
  280    H1*    C  28           H1*        C  28  37.278 -17.475  16.085
  281   1H4     C  28          1H4         C  28  31.464 -20.615  16.791
  282   2H4     C  28          2H4         C  28  31.392 -19.255  17.882
  283    H5     C  28           H5         C  28  33.302 -21.221  15.583
  284    H6     C  28           H6         C  28  35.546 -20.486  14.683
  285   1H5*    G  29          1H5*        G  29  40.172 -19.255  19.152
  286   2H5*    G  29          2H5*        G  29  41.082 -19.548  20.648
  287    H4*    G  29           H4*        G  29  39.057 -18.111  20.940
  288    H3*    G  29           H3*        G  29  38.711 -20.815  22.290
  289    H2*    G  29           H2*        G  29  36.551 -20.315  22.770
  290   2HO*    G  29          2HO*        G  29  37.687 -17.945  23.449
  291    H1*    G  29           H1*        G  29  36.376 -18.059  20.934
  292    H8     G  29           H8         G  29  35.923 -20.947  18.601
  293    H1     G  29           H1         G  29  30.452 -19.310  21.590
  294   1H2     G  29          1H2         G  29  32.739 -17.765  24.001
  295   2H2     G  29          2H2         G  29  31.074 -18.083  23.566
  296   1H5*    G  30          1H5*        G  30  38.178 -16.308  25.054
  297   2H5*    G  30          2H5*        G  30  38.769 -17.128  26.515
  298    H4*    G  30           H4*        G  30  36.698 -15.574  26.680
  299    H3*    G  30           H3*        G  30  36.876 -18.370  27.756
  300    H2*    G  30           H2*        G  30  34.603 -18.371  28.440
  301   2HO*    G  30          2HO*        G  30  35.087 -15.694  28.638
  302    H1*    G  30           H1*        G  30  33.575 -16.861  26.404
  303    H8     G  30           H8         G  30  35.841 -19.436  24.659
  304    H1     G  30           H1         G  30  29.647 -20.902  24.647
  305   1H2     G  30          1H2         G  30  29.306 -18.451  27.129
  306   2H2     G  30          2H2         G  30  28.532 -19.647  26.107
  Start of MODEL   11
    1   1H5*    A   3          1H5*        A   3  21.773  -6.629  26.369
    2   2H5*    A   3          2H5*        A   3  20.137  -6.256  26.899
    3    H4*    A   3           H4*        A   3  19.741  -5.198  25.015
    4    H3*    A   3           H3*        A   3  20.316  -7.656  23.210
    5    H2*    A   3           H2*        A   3  20.194  -6.136  21.434
    6   2HO*    A   3          2HO*        A   3  18.777  -4.662  21.396
    7    H1*    A   3           H1*        A   3  21.598  -3.949  22.953
    8    H8     A   3           H8         A   3  24.017  -6.017  23.210
    9   1H6     A   3          1H6         A   3  26.700  -5.576  19.264
   10   2H6     A   3          2H6         A   3  26.326  -5.167  17.574
   11    H2     A   3           H2         A   3  21.906  -4.347  17.422
   12   1H5*    G   4          1H5*        G   4  17.699  -6.144  21.947
   13   2H5*    G   4          2H5*        G   4  16.049  -6.139  21.306
   14    H4*    G   4           H4*        G   4  17.318  -5.597  19.456
   15    H3*    G   4           H3*        G   4  17.857  -8.687  19.218
   16    H2*    G   4           H2*        G   4  19.549  -8.296  17.656
   17   2HO*    G   4          2HO*        G   4  17.917  -6.133  16.999
   18    H1*    G   4           H1*        G   4  20.173  -5.738  18.452
   19    H8     G   4           H8         G   4  21.836  -7.784  21.152
   20    H1     G   4           H1         G   4  24.159  -7.677  15.180
   21   1H2     G   4          1H2         G   4  20.758  -6.749  14.837
   22   2H2     G   4          2H2         G   4  22.234  -7.092  14.000
   23   1H5*    U   5          1H5*        U   5  15.328  -9.694  13.913
   24   2H5*    U   5          2H5*        U   5  14.087 -10.067  15.052
   25    H4*    U   5           H4*        U   5  15.899 -11.518  15.161
   26    H3*    U   5           H3*        U   5  15.759  -9.985  17.713
   27    H2*    U   5           H2*        U   5  17.794  -9.471  17.052
   28   2HO*    U   5          2HO*        U   5  17.389 -10.499  19.180
   29    H1*    U   5           H1*        U   5  18.135 -11.993  16.066
   30    H3     U   5           H3         U   5  22.414 -10.781  14.620
   31    H5     U   5           H5         U   5  21.938 -10.981  18.839
   32    H6     U   5           H6         U   5  19.731 -10.792  18.525
   33   1H5*    G   6          1H5*        G   6  15.615 -13.684  14.930
   34   2H5*    G   6          2H5*        G   6  15.463 -15.392  14.882
   35    H4*    G   6           H4*        G   6  17.246 -14.453  13.468
   36    H3*    G   6           H3*        G   6  18.073 -16.305  15.698
   37    H2*    G   6           H2*        G   6  20.141 -16.476  14.499
   38   2HO*    G   6          2HO*        G   6  20.303 -15.375  12.437
   39    H1*    G   6           H1*        G   6  20.140 -13.958  13.689
   40    H8     G   6           H8         G   6  20.065 -13.704  17.562
   41    H1     G   6           H1         G   6  25.754 -13.690  14.522
   42   1H2     G   6          1H2         G   6  23.935 -14.950  11.767
   43   2H2     G   6          2H2         G   6  25.487 -14.450  12.409
   44   1H5*    G   7          1H5*        G   7  19.561 -19.396  16.904
   45   2H5*    G   7          2H5*        G   7  19.563 -17.641  16.617
   46    H4*    G   7           H4*        G   7  20.175 -19.212  14.205
   47    H3*    G   7           H3*        G   7  21.820 -19.683  16.699
   48    H2*    G   7           H2*        G   7  23.770 -19.650  15.170
   49   2HO*    G   7          2HO*        G   7  23.516 -19.486  13.047
   50    H1*    G   7           H1*        G   7  23.322 -17.438  14.247
   51    H8     G   7           H8         G   7  21.412 -16.691  17.342
   52    H1     G   7           H1         G   7  27.733 -15.425  17.821
   53   1H2     G   7          1H2         G   7  27.752 -17.492  14.836
   54   2H2     G   7          2H2         G   7  28.671 -16.532  15.967
   55   1H5*   CH   8          1H5*       CH   8  22.777 -22.734  14.255
   56   2H5*   CH   8          2H5*       CH   8  23.212 -24.369  14.713
   57    H4*   CH   8           H4*       CH   8  25.223 -23.225  13.648
   58    H3*   CH   8           H3*       CH   8  25.450 -23.015  16.826
   59    H2*   CH   8           H2*       CH   8  27.844 -22.439  16.202
   60   2HO*   CH   8          2HO*       CH   8  26.963 -22.917  13.484
   61    H1*   CH   8           H1*       CH   8  27.248 -20.970  14.461
   62    HN3   CH   8           HN3       CH   8  29.340 -18.857  17.831
   63   1H4    CH   8          1H4        CH   8  27.037 -17.338  19.936
   64   2H4    CH   8          2H4        CH   8  28.718 -17.380  19.656
   65    H5    CH   8           H5        CH   8  25.258 -18.624  18.906
   66    H6    CH   8           H6        CH   8  24.772 -20.147  17.060
   67   1H5*    G   9          1H5*        G   9  22.989 -27.343  17.383
   68   2H5*    G   9          2H5*        G   9  22.095 -25.868  17.830
   69    H4*    G   9           H4*        G   9  23.013 -27.191  19.765
   70    H3*    G   9           H3*        G   9  23.580 -24.350  19.208
   71    H2*    G   9           H2*        G   9  25.589 -24.279  20.120
   72   2HO*    G   9          2HO*        G   9  24.214 -24.239  22.118
   73    H1*    G   9           H1*        G   9  25.382 -27.102  21.187
   74    H8     G   9           H8         G   9  27.600 -25.392  18.448
   75    H1     G   9           H1         G   9  30.759 -28.597  22.954
   76   1H2     G   9          1H2         G   9  27.609 -29.163  24.333
   77   2H2     G   9          2H2         G   9  29.337 -29.405  24.452
   78   1H5*    C  10          1H5*        C  10  22.693 -24.433  23.951
   79   2H5*    C  10          2H5*        C  10  21.721 -22.992  24.147
   80    H4*    C  10           H4*        C  10  23.406 -22.988  25.956
   81    H3*    C  10           H3*        C  10  24.858 -21.252  23.916
   82    H2*    C  10           H2*        C  10  26.315 -20.793  25.504
   83   2HO*    C  10          2HO*        C  10  26.049 -21.539  27.610
   84    H1*    C  10           H1*        C  10  26.494 -23.555  26.117
   85   1H4     C  10          1H4         C  10  29.847 -24.833  20.807
   86   2H4     C  10          2H4         C  10  31.091 -24.305  21.932
   87    H5     C  10           H5         C  10  27.516 -24.440  21.172
   88    H6     C  10           H6         C  10  25.885 -24.006  22.671
   89   1H5*    C  11          1H5*        C  11  24.261 -16.216  26.832
   90   2H5*    C  11          2H5*        C  11  24.181 -16.373  25.043
   91    H4*    C  11           H4*        C  11  26.245 -17.659  26.989
   92    H3*    C  11           H3*        C  11  26.950 -15.293  25.129
   93    H2*    C  11           H2*        C  11  28.714 -16.413  24.344
   94   2HO*    C  11          2HO*        C  11  29.154 -16.498  26.987
   95    H1*    C  11           H1*        C  11  28.172 -18.942  25.702
   96   1H4     C  11          1H4         C  11  29.013 -21.563  20.099
   97   2H4     C  11          2H4         C  11  30.581 -21.235  20.668
   98    H5     C  11           H5         C  11  26.925 -20.538  21.092
   99    H6     C  11           H6         C  11  26.258 -19.070  22.764
  100   1H5*    G  12          1H5*        G  12  28.030 -11.407  26.026
  101   2H5*    G  12          2H5*        G  12  27.303 -12.882  25.288
  102    H4*    G  12           H4*        G  12  30.304 -12.530  26.045
  103    H3*    G  12           H3*        G  12  29.386 -11.759  23.167
  104    H2*    G  12           H2*        G  12  31.449 -12.300  22.627
  105   2HO*    G  12          2HO*        G  12  32.075 -12.073  25.300
  106    H1*    G  12           H1*        G  12  31.740 -14.492  23.900
  107    H8     G  12           H8         G  12  28.298 -14.858  22.843
  108    H1     G  12           H1         G  12  32.636 -17.339  19.011
  109   1H2     G  12          1H2         G  12  35.008 -15.468  20.821
  110   2H2     G  12          2H2         G  12  34.719 -16.625  19.530
  111   1H5*    A  13          1H5*        A  13  33.698 -10.087  21.735
  112   2H5*    A  13          2H5*        A  13  33.135  -8.406  21.817
  113    H4*    A  13           H4*        A  13  32.452 -10.344  19.506
  114    H3*    A  13           H3*        A  13  34.907  -8.871  19.922
  115    H2*    A  13           H2*        A  13  34.212  -6.870  19.114
  116   2HO*    A  13          2HO*        A  13  34.145  -6.952  16.712
  117    H1*    A  13           H1*        A  13  32.119  -8.157  17.394
  118    H8     A  13           H8         A  13  30.826  -5.938  20.038
  119   1H6     A  13          1H6         A  13  31.625  -1.090  16.342
  120   2H6     A  13          2H6         A  13  30.945  -1.646  17.855
  121    H2     A  13           H2         A  13  33.630  -4.634  14.437
  122   1H5*    C  14          1H5*        C  14  35.510 -13.903  19.016
  123   2H5*    C  14          2H5*        C  14  36.806 -13.780  17.842
  124    H4*    C  14           H4*        C  14  35.822 -15.482  16.797
  125    H3*    C  14           H3*        C  14  34.078 -13.128  16.118
  126    H2*    C  14           H2*        C  14  32.337 -14.615  15.247
  127   2HO*    C  14          2HO*        C  14  32.849 -16.688  14.710
  128    H1*    C  14           H1*        C  14  32.572 -16.531  16.975
  129   1H4     C  14          1H4         C  14  28.647 -13.187  20.713
  130   2H4     C  14          2H4         C  14  27.665 -14.139  19.617
  131    H5     C  14           H5         C  14  31.143 -12.928  20.343
  132    H6     C  14           H6         C  14  32.970 -13.589  18.868
  133   1H5*    C  15          1H5*        C  15  34.330 -14.934  11.641
  134   2H5*    C  15          2H5*        C  15  34.285 -13.377  10.814
  135    H4*    C  15           H4*        C  15  32.584 -15.265  10.238
  136    H3*    C  15           H3*        C  15  31.803 -12.349  10.410
  137    H2*    C  15           H2*        C  15  29.666 -12.974   9.805
  138   2HO*    C  15          2HO*        C  15  29.401 -14.698   8.742
  139    H1*    C  15           H1*        C  15  29.425 -15.314  11.228
  140   1H4     C  15          1H4         C  15  28.491 -12.356  16.859
  141   2H4     C  15          2H4         C  15  26.894 -12.852  16.369
  142    H5     C  15           H5         C  15  30.330 -12.432  15.616
  143    H6     C  15           H6         C  15  31.377 -13.014  13.496
  144   1H5*    A  16          1H5*        A  16  29.638 -11.575   6.106
  145   2H5*    A  16          2H5*        A  16  29.782 -10.713   7.576
  146    H4*    A  16           H4*        A  16  27.390 -11.860   6.272
  147    H3*    A  16           H3*        A  16  27.718  -9.321   7.932
  148    H2*    A  16           H2*        A  16  25.379  -9.563   8.656
  149   2HO*    A  16          2HO*        A  16  23.951 -10.815   7.440
  150    H1*    A  16           H1*        A  16  25.163 -12.164   8.642
  151    H8     A  16           H8         A  16  28.321 -11.428  10.599
  152   1H6     A  16          1H6         A  16  26.481 -11.500  14.780
  153   2H6     A  16          2H6         A  16  24.872 -11.326  15.479
  154    H2     A  16           H2         A  16  22.109 -10.826  11.988
  155   1H5*    C  17          1H5*        C  17  24.594  -8.457   6.102
  156   2H5*    C  17          2H5*        C  17  24.213  -6.762   5.815
  157    H4*    C  17           H4*        C  17  22.870  -7.947   7.625
  158    H3*    C  17           H3*        C  17  24.344  -5.369   8.252
  159    H2*    C  17           H2*        C  17  23.927  -5.577  10.464
  160   2HO*    C  17          2HO*        C  17  21.491  -6.394   9.467
  161    H1*    C  17           H1*        C  17  23.065  -8.116  10.404
  162   1H4     C  17          1H4         C  17  27.700  -8.806  14.780
  163   2H4     C  17          2H4         C  17  26.209  -8.428  15.560
  164    H5     C  17           H5         C  17  28.021  -8.495  12.081
  165    H6     C  17           H6         C  17  26.718  -8.031  10.147
  166   1H5*    U  18          1H5*        U  18  19.245  -2.748  10.276
  167   2H5*    U  18          2H5*        U  18  20.150  -1.919   9.120
  168    H4*    U  18           H4*        U  18  20.493  -1.624  11.699
  169    H3*    U  18           H3*        U  18  22.349  -1.301   9.573
  170    H2*    U  18           H2*        U  18  22.898  -3.656  10.174
  171   2HO*    U  18          2HO*        U  18  24.717  -3.248   9.661
  172    H1*    U  18           H1*        U  18  22.589  -2.378  12.971
  173    H3     U  18           H3         U  18  24.358  -4.561  16.215
  174    H5     U  18           H5         U  18  27.088  -4.428  12.999
  175    H6     U  18           H6         U  18  25.364  -3.835  11.558
  176   1H5*    U  19          1H5*        U  19  18.001   0.122  10.888
  177   2H5*    U  19          2H5*        U  19  18.738   1.667  11.139
  178    H4*    U  19           H4*        U  19  17.387  -0.053  13.199
  179    H3*    U  19           H3*        U  19  17.852   2.671  13.300
  180    H2*    U  19           H2*        U  19  20.337   2.198  14.390
  181   2HO*    U  19          2HO*        U  19  18.334   2.345  16.471
  182    H1*    U  19           H1*        U  19  18.616   0.267  15.861
  183    H3     U  19           H3         U  19  22.023  -0.392  18.830
  184    H5     U  19           H5         U  19  23.827  -0.708  15.017
  185    H6     U  19           H6         U  19  21.753  -0.206  14.049
  186   1H5*    A  20          1H5*        A  20  14.318   0.463  11.932
  187   2H5*    A  20          2H5*        A  20  13.073  -0.145  13.020
  188    H4*    A  20           H4*        A  20  14.457  -1.598  11.092
  189    H3*    A  20           H3*        A  20  12.565  -2.313  12.952
  190    H2*    A  20           H2*        A  20  13.820  -3.704  14.463
  191   2HO*    A  20          2HO*        A  20  14.863  -5.575  13.165
  192    H1*    A  20           H1*        A  20  16.222  -3.942  12.665
  193    H8     A  20           H8         A  20  14.873  -2.765  16.151
  194   1H6     A  20          1H6         A  20  18.871  -3.284  18.688
  195   2H6     A  20          2H6         A  20  20.534  -3.616  18.281
  196    H2     A  20           H2         A  20  20.670  -3.975  13.768
  197   1H5*    A  21          1H5*        A  21  13.267  -6.201   8.566
  198   2H5*    A  21          2H5*        A  21  11.749  -6.641   9.357
  199    H4*    A  21           H4*        A  21  13.082  -8.635   8.475
  200    H3*    A  21           H3*        A  21  12.163  -8.355  11.294
  201    H2*    A  21           H2*        A  21  13.851  -9.587  12.284
  202   2HO*    A  21          2HO*        A  21  14.133 -11.266  10.082
  203    H1*    A  21           H1*        A  21  15.618 -10.036  10.222
  204    H8     A  21           H8         A  21  14.651  -7.514  12.921
  205   1H6     A  21          1H6         A  21  20.815  -6.643  13.134
  206   2H6     A  21          2H6         A  21  19.352  -6.373  14.033
  207    H2     A  21           H2         A  21  19.890  -9.457   9.934
  208   1H5*    A  22          1H5*        A  22  12.365 -13.858   8.075
  209   2H5*    A  22          2H5*        A  22  13.675 -14.027   9.220
  210    H4*    A  22           H4*        A  22  13.666 -12.167   6.771
  211    H3*    A  22           H3*        A  22  14.828 -14.846   7.443
  212    H2*    A  22           H2*        A  22  16.916 -14.173   7.628
  213   2HO*    A  22          2HO*        A  22  17.817 -13.014   5.702
  214    H1*    A  22           H1*        A  22  16.507 -11.406   6.664
  215    H8     A  22           H8         A  22  16.838 -12.855  10.270
  216   1H6     A  22          1H6         A  22  21.609 -12.255  10.748
  217   2H6     A  22          2H6         A  22  22.821 -11.494   9.741
  218    H2     A  22           H2         A  22  20.950 -10.048   6.178
  219   1H5*    A  23          1H5*        A  23  17.363 -14.068   3.797
  220   2H5*    A  23          2H5*        A  23  16.942 -15.500   2.839
  221    H4*    A  23           H4*        A  23  19.245 -15.637   2.800
  222    H3*    A  23           H3*        A  23  18.605 -16.972   5.500
  223    H2*    A  23           H2*        A  23  21.115 -17.524   5.565
  224   2HO*    A  23          2HO*        A  23  21.331 -17.933   3.423
  225    H1*    A  23           H1*        A  23  21.784 -14.974   4.747
  226    H8     A  23           H8         A  23  18.856 -15.167   7.326
  227   1H6     A  23          1H6         A  23  21.554 -14.133  11.278
  228   2H6     A  23          2H6         A  23  23.234 -13.706  11.447
  229    H2     A  23           H2         A  23  25.114 -14.064   7.360
  230   1H5*    A  24          1H5*        A  24  22.151 -20.931   3.782
  231   2H5*    A  24          2H5*        A  24  20.952 -21.663   4.865
  232    H4*    A  24           H4*        A  24  23.387 -21.639   5.811
  233    H3*    A  24           H3*        A  24  21.026 -21.058   7.389
  234    H2*    A  24           H2*        A  24  22.190 -19.736   8.709
  235   2HO*    A  24          2HO*        A  24  22.847 -21.713   9.684
  236    H1*    A  24           H1*        A  24  24.833 -20.140   7.361
  237    H8     A  24           H8         A  24  22.331 -17.557   8.945
  238   1H6     A  24          1H6         A  24  25.589 -14.350  10.290
  239   2H6     A  24          2H6         A  24  27.263 -14.077   9.863
  240    H2     A  24           H2         A  24  28.351 -17.175   6.852
  241   1H5*    C  25          1H5*        C  25  19.293 -22.943   8.694
  242   2H5*    C  25          2H5*        C  25  21.028 -22.698   8.981
  243    H4*    C  25           H4*        C  25  19.908 -23.594  10.995
  244    H3*    C  25           H3*        C  25  21.796 -25.508   9.594
  245    H2*    C  25           H2*        C  25  21.504 -26.921  11.499
  246   2HO*    C  25          2HO*        C  25  21.827 -25.055  12.929
  247    H1*    C  25           H1*        C  25  18.848 -26.201  11.950
  248   1H4     C  25          1H4         C  25  18.556 -32.090   9.572
  249   2H4     C  25          2H4         C  25  18.993 -31.494   7.986
  250    H5     C  25           H5         C  25  19.491 -29.158   7.542
  251    H6     C  25           H6         C  25  19.953 -26.996   8.591
  252   1H5*    A  26          1H5*        A  26  26.602 -24.855  11.099
  253   2H5*    A  26          2H5*        A  26  26.403 -23.156  11.488
  254    H4*    A  26           H4*        A  26  27.254 -24.383   8.859
  255    H3*    A  26           H3*        A  26  28.586 -23.061  11.096
  256    H2*    A  26           H2*        A  26  29.203 -21.084  10.170
  257   2HO*    A  26          2HO*        A  26  30.672 -21.805   8.758
  258    H1*    A  26           H1*        A  26  27.677 -20.798   7.889
  259    H8     A  26           H8         A  26  25.167 -21.104  10.593
  260   1H6     A  26          1H6         A  26  25.933 -16.955  13.048
  261   2H6     A  26          2H6         A  26  27.114 -15.682  12.853
  262    H2     A  26           H2         A  26  29.909 -16.995   9.572
  263   1H5*    C  27          1H5*        C  27  31.934 -23.351   9.176
  264   2H5*    C  27          2H5*        C  27  33.271 -24.394   9.688
  265    H4*    C  27           H4*        C  27  34.012 -22.043   9.695
  266    H3*    C  27           H3*        C  27  33.570 -22.654  12.590
  267    H2*    C  27           H2*        C  27  34.289 -20.458  12.939
  268   2HO*    C  27          2HO*        C  27  36.276 -20.781  11.898
  269    H1*    C  27           H1*        C  27  33.624 -19.598  10.250
  270   1H4     C  27          1H4         C  27  30.765 -15.159  13.591
  271   2H4     C  27          2H4         C  27  29.399 -16.207  13.883
  272    H5     C  27           H5         C  27  29.511 -18.442  13.622
  273    H6     C  27           H6         C  27  30.533 -20.324  12.233
  274   1H5*    C  28          1H5*        C  28  37.860 -23.221  15.121
  275   2H5*    C  28          2H5*        C  28  36.304 -22.505  15.576
  276    H4*    C  28           H4*        C  28  38.927 -21.052  15.055
  277    H3*    C  28           H3*        C  28  37.436 -21.936  17.427
  278    H2*    C  28           H2*        C  28  36.907 -19.943  18.380
  279   2HO*    C  28          2HO*        C  28  38.941 -19.238  18.787
  280    H1*    C  28           H1*        C  28  37.040 -18.103  16.269
  281   1H4     C  28          1H4         C  28  30.893 -20.387  17.338
  282   2H4     C  28          2H4         C  28  31.096 -19.071  18.477
  283    H5     C  28           H5         C  28  32.517 -21.163  15.952
  284    H6     C  28           H6         C  28  34.843 -20.882  15.027
  285   1H5*    G  29          1H5*        G  29  41.043 -20.862  19.557
  286   2H5*    G  29          2H5*        G  29  41.753 -22.076  20.630
  287    H4*    G  29           H4*        G  29  40.683 -20.014  21.733
  288    H3*    G  29           H3*        G  29  39.270 -22.605  22.492
  289    H2*    G  29           H2*        G  29  37.896 -21.307  23.917
  290   2HO*    G  29          2HO*        G  29  38.328 -19.114  24.300
  291    H1*    G  29           H1*        G  29  37.541 -19.240  22.031
  292    H8     G  29           H8         G  29  37.358 -22.314  19.827
  293    H1     G  29           H1         G  29  31.670 -20.300  22.051
  294   1H2     G  29          1H2         G  29  33.771 -18.621  24.546
  295   2H2     G  29          2H2         G  29  32.147 -18.921  23.971
  296   1H5*    G  30          1H5*        G  30  40.892 -21.078  25.832
  297   2H5*    G  30          2H5*        G  30  41.197 -21.901  27.375
  298    H4*    G  30           H4*        G  30  39.074 -20.503  27.183
  299    H3*    G  30           H3*        G  30  38.926 -23.443  27.864
  300    H2*    G  30           H2*        G  30  36.600 -23.387  27.843
  301   2HO*    G  30          2HO*        G  30  35.474 -21.377  28.220
  302    H1*    G  30           H1*        G  30  36.413 -20.982  26.246
  303    H8     G  30           H8         G  30  37.662 -23.491  23.708
  304    H1     G  30           H1         G  30  31.311 -23.244  24.162
  305   1H2     G  30          1H2         G  30  31.756 -21.764  27.303
  306   2H2     G  30          2H2         G  30  30.642 -22.327  26.070
  Start of MODEL   12
    1   1H5*    A   3          1H5*        A   3  25.677  -3.473  26.649
    2   2H5*    A   3          2H5*        A   3  23.995  -3.782  27.205
    3    H4*    A   3           H4*        A   3  23.836  -2.188  25.476
    4    H3*    A   3           H3*        A   3  23.498  -4.787  23.798
    5    H2*    A   3           H2*        A   3  23.054  -3.387  21.993
    6   2HO*    A   3          2HO*        A   3  22.444  -1.316  22.145
    7    H1*    A   3           H1*        A   3  25.336  -1.788  22.490
    8    H8     A   3           H8         A   3  26.853  -4.679  23.059
    9   1H6     A   3          1H6         A   3  27.812  -5.892  18.447
   10   2H6     A   3          2H6         A   3  27.040  -5.454  16.913
   11    H2     A   3           H2         A   3  23.650  -2.712  17.936
   12   1H5*    G   4          1H5*        G   4  20.485  -3.709  23.113
   13   2H5*    G   4          2H5*        G   4  18.814  -4.244  23.378
   14    H4*    G   4           H4*        G   4  19.055  -4.066  21.058
   15    H3*    G   4           H3*        G   4  20.146  -7.031  21.254
   16    H2*    G   4           H2*        G   4  20.272  -6.974  18.839
   17   2HO*    G   4          2HO*        G   4  18.523  -4.746  19.222
   18    H1*    G   4           H1*        G   4  21.234  -4.441  18.778
   19    H8     G   4           H8         G   4  23.386  -5.876  21.332
   20    H1     G   4           H1         G   4  24.634  -7.205  15.147
   21   1H2     G   4          1H2         G   4  21.178  -6.178  14.984
   22   2H2     G   4          2H2         G   4  22.574  -6.723  14.101
   23   1H5*    U   5          1H5*        U   5  16.580  -7.371  19.053
   24   2H5*    U   5          2H5*        U   5  15.420  -8.640  19.471
   25    H4*    U   5           H4*        U   5  15.874  -8.776  17.096
   26    H3*    U   5           H3*        U   5  17.587 -10.976  18.394
   27    H2*    U   5           H2*        U   5  18.069 -11.639  16.154
   28   2HO*    U   5          2HO*        U   5  17.082 -10.536  14.396
   29    H1*    U   5           H1*        U   5  18.440  -9.143  15.247
   30    H3     U   5           H3         U   5  22.631 -10.346  15.005
   31    H5     U   5           H5         U   5  22.171  -9.047  18.942
   32    H6     U   5           H6         U   5  19.714  -9.089  18.595
   33   1H5*    G   6          1H5*        G   6  15.722 -12.669  15.421
   34   2H5*    G   6          2H5*        G   6  15.161 -14.348  15.580
   35    H4*    G   6           H4*        G   6  16.707 -14.051  13.745
   36    H3*    G   6           H3*        G   6  17.899 -15.592  16.036
   37    H2*    G   6           H2*        G   6  19.648 -16.158  14.457
   38   2HO*    G   6          2HO*        G   6  19.451 -15.349  12.277
   39    H1*    G   6           H1*        G   6  19.733 -13.681  13.415
   40    H8     G   6           H8         G   6  19.769 -13.143  17.177
   41    H1     G   6           H1         G   6  25.486 -13.625  14.347
   42   1H2     G   6          1H2         G   6  23.662 -15.083  11.704
   43   2H2     G   6          2H2         G   6  25.225 -14.591  12.324
   44   1H5*    G   7          1H5*        G   7  19.125 -18.998  17.321
   45   2H5*    G   7          2H5*        G   7  19.063 -17.263  16.872
   46    H4*    G   7           H4*        G   7  19.711 -18.941  14.594
   47    H3*    G   7           H3*        G   7  21.391 -19.385  17.096
   48    H2*    G   7           H2*        G   7  23.398 -19.196  15.597
   49   2HO*    G   7          2HO*        G   7  23.171 -19.222  13.470
   50    H1*    G   7           H1*        G   7  22.744 -17.109  14.514
   51    H8     G   7           H8         G   7  21.073 -16.197  17.680
   52    H1     G   7           H1         G   7  27.464 -15.319  17.671
   53   1H2     G   7          1H2         G   7  27.191 -17.538  14.828
   54   2H2     G   7          2H2         G   7  28.220 -16.578  15.869
   55   1H5*   CH   8          1H5*       CH   8  22.094 -22.863  14.725
   56   2H5*   CH   8          2H5*       CH   8  22.535 -24.432  15.350
   57    H4*   CH   8           H4*       CH   8  24.517 -23.313  14.124
   58    H3*   CH   8           H3*       CH   8  24.862 -23.076  17.296
   59    H2*   CH   8           H2*       CH   8  27.206 -22.426  16.536
   60   2HO*   CH   8          2HO*       CH   8  26.246 -23.002  13.870
   61    H1*   CH   8           H1*       CH   8  26.497 -21.024  14.733
   62    HN3   CH   8           HN3       CH   8  28.951 -18.854  17.767
   63   1H4    CH   8          1H4        CH   8  28.732 -17.599  19.157
   64   2H4    CH   8          2H4        CH   8  27.362 -17.018  20.058
   65    H5    CH   8           H5        CH   8  24.999 -18.380  19.244
   66    H6    CH   8           H6        CH   8  24.234 -19.974  17.477
   67   1H5*    G   9          1H5*        G   9  21.759 -25.596  17.428
   68   2H5*    G   9          2H5*        G   9  22.234 -23.924  17.820
   69    H4*    G   9           H4*        G   9  20.710 -24.956  19.487
   70    H3*    G   9           H3*        G   9  23.335 -23.809  20.059
   71    H2*    G   9           H2*        G   9  23.907 -25.004  21.994
   72   2HO*    G   9          2HO*        G   9  22.047 -24.355  23.095
   73    H1*    G   9           H1*        G   9  22.672 -27.375  21.698
   74    H8     G   9           H8         G   9  25.795 -26.013  21.488
   75    H1     G   9           H1         G   9  25.430 -30.254  16.750
   76   1H2     G   9          1H2         G   9  21.979 -29.945  17.129
   77   2H2     G   9          2H2         G   9  23.308 -30.702  16.280
   78   1H5*    C  10          1H5*        C  10  20.884 -22.055  23.987
   79   2H5*    C  10          2H5*        C  10  21.070 -20.308  23.510
   80    H4*    C  10           H4*        C  10  21.810 -20.866  25.946
   81    H3*    C  10           H3*        C  10  23.923 -19.527  24.135
   82    H2*    C  10           H2*        C  10  25.406 -19.556  25.799
   83   2HO*    C  10          2HO*        C  10  24.930 -20.046  27.869
   84    H1*    C  10           H1*        C  10  25.124 -22.153  26.296
   85   1H4     C  10          1H4         C  10  27.849 -23.572  20.655
   86   2H4     C  10          2H4         C  10  29.201 -23.008  21.633
   87    H5     C  10           H5         C  10  25.531 -23.247  21.279
   88    H6     C  10           H6         C  10  24.067 -22.656  23.002
   89   1H5*    C  11          1H5*        C  11  23.319 -17.006  26.914
   90   2H5*    C  11          2H5*        C  11  23.328 -15.245  27.050
   91    H4*    C  11           H4*        C  11  25.563 -16.191  27.570
   92    H3*    C  11           H3*        C  11  25.494 -14.730  24.905
   93    H2*    C  11           H2*        C  11  27.853 -14.994  24.883
   94   2HO*    C  11          2HO*        C  11  28.989 -15.674  26.723
   95    H1*    C  11           H1*        C  11  27.726 -17.522  26.097
   96   1H4     C  11          1H4         C  11  27.823 -19.996  20.317
   97   2H4     C  11          2H4         C  11  29.447 -19.733  20.744
   98    H5     C  11           H5         C  11  25.902 -19.058  21.528
   99    H6     C  11           H6         C  11  25.386 -17.583  23.277
  100   1H5*    G  12          1H5*        G  12  28.455 -12.776  26.729
  101   2H5*    G  12          2H5*        G  12  28.484 -11.020  26.379
  102    H4*    G  12           H4*        G  12  30.632 -12.155  25.775
  103    H3*    G  12           H3*        G  12  29.136 -11.474  23.171
  104    H2*    G  12           H2*        G  12  31.155 -11.987  22.162
  105   2HO*    G  12          2HO*        G  12  32.965 -12.745  23.493
  106    H1*    G  12           H1*        G  12  31.660 -14.098  23.540
  107    H8     G  12           H8         G  12  28.089 -14.579  22.736
  108    H1     G  12           H1         G  12  32.517 -17.127  18.831
  109   1H2     G  12          1H2         G  12  34.731 -15.086  20.590
  110   2H2     G  12          2H2         G  12  34.515 -16.302  19.340
  111   1H5*    A  13          1H5*        A  13  32.120  -8.054  20.827
  112   2H5*    A  13          2H5*        A  13  31.479  -9.465  19.973
  113    H4*    A  13           H4*        A  13  33.799  -9.234  19.234
  114    H3*    A  13           H3*        A  13  33.065 -11.492  20.978
  115    H2*    A  13           H2*        A  13  34.860 -11.288  22.303
  116   2HO*    A  13          2HO*        A  13  35.869 -12.287  19.848
  117    H1*    A  13           H1*        A  13  36.148  -9.600  20.111
  118    H8     A  13           H8         A  13  35.628  -8.402  23.632
  119   1H6     A  13          1H6         A  13  40.149  -8.586  25.322
  120   2H6     A  13          2H6         A  13  41.642  -9.229  24.675
  121    H2     A  13           H2         A  13  40.660 -11.024  20.672
  122   1H5*    C  14          1H5*        C  14  34.953 -13.584  18.515
  123   2H5*    C  14          2H5*        C  14  36.440 -13.928  17.761
  124    H4*    C  14           H4*        C  14  35.602 -15.486  16.453
  125    H3*    C  14           H3*        C  14  33.806 -13.273  15.499
  126    H2*    C  14           H2*        C  14  32.072 -14.853  14.854
  127   2HO*    C  14          2HO*        C  14  32.567 -16.963  14.448
  128    H1*    C  14           H1*        C  14  32.464 -16.687  16.682
  129   1H4     C  14          1H4         C  14  28.677 -13.006  20.385
  130   2H4     C  14          2H4         C  14  27.568 -13.929  19.398
  131    H5     C  14           H5         C  14  31.066 -12.914  19.903
  132    H6     C  14           H6         C  14  32.763 -13.706  18.369
  133   1H5*    C  15          1H5*        C  15  34.213 -14.259  10.629
  134   2H5*    C  15          2H5*        C  15  33.478 -12.681  10.382
  135    H4*    C  15           H4*        C  15  32.343 -15.188   9.877
  136    H3*    C  15           H3*        C  15  30.927 -12.533  10.220
  137    H2*    C  15           H2*        C  15  29.002 -13.664   9.669
  138   2HO*    C  15          2HO*        C  15  29.090 -15.470   8.705
  139    H1*    C  15           H1*        C  15  29.348 -15.837  11.323
  140   1H4     C  15          1H4         C  15  28.204 -12.158  16.605
  141   2H4     C  15          2H4         C  15  26.608 -12.650  16.115
  142    H5     C  15           H5         C  15  30.065 -12.454  15.439
  143    H6     C  15           H6         C  15  31.118 -13.267  13.380
  144   1H5*    A  16          1H5*        A  16  28.846 -13.720   6.655
  145   2H5*    A  16          2H5*        A  16  28.409 -12.247   5.976
  146    H4*    A  16           H4*        A  16  26.502 -13.815   6.657
  147    H3*    A  16           H3*        A  16  26.634 -10.906   7.263
  148    H2*    A  16           H2*        A  16  24.705 -11.155   8.960
  149   2HO*    A  16          2HO*        A  16  23.226 -12.761   8.661
  150    H1*    A  16           H1*        A  16  25.013 -13.643   9.507
  151    H8     A  16           H8         A  16  28.191 -11.900  10.699
  152   1H6     A  16          1H6         A  16  26.636 -10.469  14.948
  153   2H6     A  16          2H6         A  16  25.038 -10.191  15.662
  154    H2     A  16           H2         A  16  22.079 -11.296  12.462
  155   1H5*    C  17          1H5*        C  17  23.479  -7.957   5.687
  156   2H5*    C  17          2H5*        C  17  25.006  -8.475   6.389
  157    H4*    C  17           H4*        C  17  22.370  -8.610   7.891
  158    H3*    C  17           H3*        C  17  24.350  -6.304   7.943
  159    H2*    C  17           H2*        C  17  23.553  -5.864  10.108
  160   2HO*    C  17          2HO*        C  17  21.635  -6.915  10.872
  161    H1*    C  17           H1*        C  17  22.919  -8.484  10.605
  162   1H4     C  17          1H4         C  17  28.092  -8.344  14.404
  163   2H4     C  17          2H4         C  17  26.731  -7.788  15.309
  164    H5     C  17           H5         C  17  28.014  -8.567  11.734
  165    H6     C  17           H6         C  17  26.488  -8.551   9.962
  166   1H5*    U  18          1H5*        U  18  21.083  -1.806   8.571
  167   2H5*    U  18          2H5*        U  18  22.784  -2.217   8.676
  168    H4*    U  18           H4*        U  18  20.641  -3.137  10.638
  169    H3*    U  18           H3*        U  18  21.953  -0.616  10.631
  170    H2*    U  18           H2*        U  18  23.615  -1.265  12.368
  171   2HO*    U  18          2HO*        U  18  21.014  -1.205  13.354
  172    H1*    U  18           H1*        U  18  21.880  -3.359  13.091
  173    H3     U  18           H3         U  18  25.149  -4.078  16.092
  174    H5     U  18           H5         U  18  26.472  -5.417  12.350
  175    H6     U  18           H6         U  18  24.767  -4.171  11.346
  176   1H5*    U  19          1H5*        U  19  17.752  -1.864  11.964
  177   2H5*    U  19          2H5*        U  19  16.501  -0.719  11.452
  178    H4*    U  19           H4*        U  19  15.882  -1.655  13.723
  179    H3*    U  19           H3*        U  19  15.783   1.136  13.430
  180    H2*    U  19           H2*        U  19  18.298   1.326  14.247
  181   2HO*    U  19          2HO*        U  19  17.798   2.734  15.814
  182    H1*    U  19           H1*        U  19  17.105  -0.336  16.427
  183    H3     U  19           H3         U  19  20.701  -0.104  19.134
  184    H5     U  19           H5         U  19  22.386   0.049  15.253
  185    H6     U  19           H6         U  19  20.219  -0.004  14.386
  186   1H5*    A  20          1H5*        A  20  13.599  -1.243  11.962
  187   2H5*    A  20          2H5*        A  20  12.233  -1.959  12.845
  188    H4*    A  20           H4*        A  20  13.388  -3.558  11.199
  189    H3*    A  20           H3*        A  20  13.207  -4.128  14.179
  190    H2*    A  20           H2*        A  20  14.426  -5.959  14.121
  191   2HO*    A  20          2HO*        A  20  14.697  -7.206  12.198
  192    H1*    A  20           H1*        A  20  15.987  -5.376  11.833
  193    H8     A  20           H8         A  20  15.326  -4.546  15.549
  194   1H6     A  20          1H6         A  20  19.834  -4.545  17.148
  195   2H6     A  20          2H6         A  20  21.389  -4.609  16.354
  196    H2     A  20           H2         A  20  20.652  -4.977  11.990
  197   1H5*    A  21          1H5*        A  21  12.782  -6.861   9.100
  198   2H5*    A  21          2H5*        A  21  11.178  -7.585   9.329
  199    H4*    A  21           H4*        A  21  12.727  -9.391   8.872
  200    H3*    A  21           H3*        A  21  11.695  -9.152  11.690
  201    H2*    A  21           H2*        A  21  13.369 -10.381  12.663
  202   2HO*    A  21          2HO*        A  21  13.743 -11.916  10.357
  203    H1*    A  21           H1*        A  21  15.190 -10.662  10.603
  204    H8     A  21           H8         A  21  14.943  -9.644  14.010
  205   1H6     A  21          1H6         A  21  20.486  -6.968  13.237
  206   2H6     A  21          2H6         A  21  19.356  -7.548  14.436
  207    H2     A  21           H2         A  21  18.758  -7.806   9.208
  208   1H5*    A  22          1H5*        A  22  12.055 -14.649   8.459
  209   2H5*    A  22          2H5*        A  22  13.442 -14.668   9.541
  210    H4*    A  22           H4*        A  22  13.124 -12.889   7.052
  211    H3*    A  22           H3*        A  22  14.792 -15.266   7.905
  212    H2*    A  22           H2*        A  22  16.763 -14.323   7.466
  213   2HO*    A  22          2HO*        A  22  17.000 -12.975   5.525
  214    H1*    A  22           H1*        A  22  15.864 -11.624   6.879
  215    H8     A  22           H8         A  22  16.179 -12.649  10.543
  216   1H6     A  22          1H6         A  22  22.033 -10.833  10.236
  217   2H6     A  22          2H6         A  22  20.766 -11.441  11.277
  218    H2     A  22           H2         A  22  20.453 -10.601   6.245
  219   1H5*    A  23          1H5*        A  23  16.456 -15.325   4.505
  220   2H5*    A  23          2H5*        A  23  16.138 -16.830   3.624
  221    H4*    A  23           H4*        A  23  18.433 -16.764   3.571
  222    H3*    A  23           H3*        A  23  17.946 -18.053   6.334
  223    H2*    A  23           H2*        A  23  20.521 -18.427   6.298
  224   2HO*    A  23          2HO*        A  23  20.333 -17.182   3.758
  225    H1*    A  23           H1*        A  23  20.922 -15.853   5.418
  226    H8     A  23           H8         A  23  18.080 -15.970   8.090
  227   1H6     A  23          1H6         A  23  22.602 -13.968  11.801
  228   2H6     A  23          2H6         A  23  20.889 -14.191  11.716
  229    H2     A  23           H2         A  23  24.357 -15.078   7.846
  230   1H5*    A  24          1H5*        A  24  19.932 -22.683   5.839
  231   2H5*    A  24          2H5*        A  24  20.356 -22.147   7.492
  232    H4*    A  24           H4*        A  24  21.686 -21.217   4.894
  233    H3*    A  24           H3*        A  24  22.260 -23.455   6.693
  234    H2*    A  24           H2*        A  24  23.792 -22.337   7.860
  235   2HO*    A  24          2HO*        A  24  25.817 -22.723   7.171
  236    H1*    A  24           H1*        A  24  23.974 -20.243   5.635
  237    H8     A  24           H8         A  24  22.834 -20.186   9.112
  238   1H6     A  24          1H6         A  24  25.566 -16.408  10.652
  239   2H6     A  24          2H6         A  24  27.026 -15.686  10.015
  240    H2     A  24           H2         A  24  27.996 -17.878   6.189
  241   1H5*    C  25          1H5*        C  25  22.916 -25.527   6.090
  242   2H5*    C  25          2H5*        C  25  23.612 -25.033   7.647
  243    H4*    C  25           H4*        C  25  23.193 -27.489   7.327
  244    H3*    C  25           H3*        C  25  25.980 -26.554   8.005
  245    H2*    C  25           H2*        C  25  26.503 -28.877   8.311
  246   2HO*    C  25          2HO*        C  25  24.601 -29.304   9.502
  247    H1*    C  25           H1*        C  25  24.880 -29.784   6.223
  248   1H4     C  25          1H4         C  25  31.079 -28.626   4.141
  249   2H4     C  25          2H4         C  25  30.855 -30.360   4.116
  250    H5     C  25           H5         C  25  29.374 -27.082   4.874
  251    H6     C  25           H6         C  25  27.120 -26.887   5.777
  252   1H5*    A  26          1H5*        A  26  26.376 -24.110  11.101
  253   2H5*    A  26          2H5*        A  26  25.318 -24.618   9.776
  254    H4*    A  26           H4*        A  26  27.488 -24.742   8.368
  255    H3*    A  26           H3*        A  26  28.478 -23.495  10.874
  256    H2*    A  26           H2*        A  26  29.263 -21.552   9.971
  257   2HO*    A  26          2HO*        A  26  30.704 -22.349   8.531
  258    H1*    A  26           H1*        A  26  27.654 -21.245   7.712
  259    H8     A  26           H8         A  26  25.090 -21.471  10.171
  260   1H6     A  26          1H6         A  26  27.238 -16.445  13.109
  261   2H6     A  26          2H6         A  26  25.956 -17.629  13.106
  262    H2     A  26           H2         A  26  30.212 -17.669   9.979
  263   1H5*    C  27          1H5*        C  27  31.991 -23.696   9.162
  264   2H5*    C  27          2H5*        C  27  33.357 -24.631   9.795
  265    H4*    C  27           H4*        C  27  33.975 -22.242   9.705
  266    H3*    C  27           H3*        C  27  33.370 -22.703  12.598
  267    H2*    C  27           H2*        C  27  34.105 -20.484  12.851
  268   2HO*    C  27          2HO*        C  27  36.081 -20.786  11.814
  269    H1*    C  27           H1*        C  27  33.382 -19.768  10.137
  270   1H4     C  27          1H4         C  27  29.000 -16.660  13.897
  271   2H4     C  27          2H4         C  27  30.246 -15.510  13.466
  272    H5     C  27           H5         C  27  29.234 -18.917  13.612
  273    H6     C  27           H6         C  27  30.365 -20.746  12.213
  274   1H5*    C  28          1H5*        C  28  37.890 -22.772  15.139
  275   2H5*    C  28          2H5*        C  28  36.344 -22.081  15.655
  276    H4*    C  28           H4*        C  28  38.839 -20.586  14.761
  277    H3*    C  28           H3*        C  28  37.639 -21.313  17.333
  278    H2*    C  28           H2*        C  28  37.019 -19.282  18.142
  279   2HO*    C  28          2HO*        C  28  38.524 -17.842  18.299
  280    H1*    C  28           H1*        C  28  36.818 -17.625  15.915
  281   1H4     C  28          1H4         C  28  30.996 -20.456  17.443
  282   2H4     C  28          2H4         C  28  31.106 -19.050  18.486
  283    H5     C  28           H5         C  28  32.651 -21.174  16.034
  284    H6     C  28           H6         C  28  34.852 -20.640  14.916
  285   1H5*    G  29          1H5*        G  29  40.222 -19.394  19.241
  286   2H5*    G  29          2H5*        G  29  41.103 -20.187  20.556
  287    H4*    G  29           H4*        G  29  39.454 -18.442  21.284
  288    H3*    G  29           H3*        G  29  38.498 -21.206  22.113
  289    H2*    G  29           H2*        G  29  36.803 -20.091  23.299
  290   2HO*    G  29          2HO*        G  29  38.701 -18.132  23.458
  291    H1*    G  29           H1*        G  29  36.569 -17.983  21.359
  292    H8     G  29           H8         G  29  36.044 -20.974  19.160
  293    H1     G  29           H1         G  29  30.685 -18.884  22.046
  294   1H2     G  29          1H2         G  29  33.064 -17.364  24.384
  295   2H2     G  29          2H2         G  29  31.383 -17.600  23.960
  296   1H5*    G  30          1H5*        G  30  39.268 -19.262  25.325
  297   2H5*    G  30          2H5*        G  30  39.448 -19.896  26.971
  298    H4*    G  30           H4*        G  30  37.219 -18.846  26.311
  299    H3*    G  30           H3*        G  30  37.323 -21.686  27.349
  300    H2*    G  30           H2*        G  30  35.041 -21.907  27.002
  301   2HO*    G  30          2HO*        G  30  33.659 -20.024  27.141
  302    H1*    G  30           H1*        G  30  34.912 -19.506  25.357
  303    H8     G  30           H8         G  30  35.966 -22.056  22.764
  304    H1     G  30           H1         G  30  29.656 -21.894  23.793
  305   1H2     G  30          1H2         G  30  30.424 -20.327  26.831
  306   2H2     G  30          2H2         G  30  29.186 -20.926  25.744
  Start of MODEL   13
    1   1H5*    A   3          1H5*        A   3  23.228  -3.045  20.707
    2   2H5*    A   3          2H5*        A   3  22.933  -1.297  21.027
    3    H4*    A   3           H4*        A   3  21.757  -2.388  22.785
    4    H3*    A   3           H3*        A   3  24.034  -1.749  24.360
    5    H2*    A   3           H2*        A   3  25.488  -3.426  23.648
    6   2HO*    A   3          2HO*        A   3  25.366  -5.238  24.975
    7    H1*    A   3           H1*        A   3  23.555  -5.441  23.317
    8    H8     A   3           H8         A   3  26.494  -5.910  23.009
    9   1H6     A   3          1H6         A   3  27.859  -6.631  18.380
   10   2H6     A   3          2H6         A   3  27.211  -6.038  16.838
   11    H2     A   3           H2         A   3  23.658  -3.520  17.834
   12   1H5*    G   4          1H5*        G   4  20.102  -3.707  23.396
   13   2H5*    G   4          2H5*        G   4  19.274  -5.068  24.120
   14    H4*    G   4           H4*        G   4  19.153  -4.450  21.536
   15    H3*    G   4           H3*        G   4  20.175  -7.500  21.607
   16    H2*    G   4           H2*        G   4  19.889  -7.385  19.238
   17   2HO*    G   4          2HO*        G   4  19.108  -5.435  18.286
   18    H1*    G   4           H1*        G   4  21.094  -5.001  19.049
   19    H8     G   4           H8         G   4  23.272  -6.640  21.497
   20    H1     G   4           H1         G   4  24.321  -7.592  15.235
   21   1H2     G   4          1H2         G   4  20.933  -6.339  15.214
   22   2H2     G   4          2H2         G   4  22.277  -6.902  14.266
   23   1H5*    U   5          1H5*        U   5  15.693  -8.508  20.143
   24   2H5*    U   5          2H5*        U   5  15.622 -10.227  20.334
   25    H4*    U   5           H4*        U   5  15.310  -8.943  17.959
   26    H3*    U   5           H3*        U   5  17.047 -11.528  17.807
   27    H2*    U   5           H2*        U   5  17.055 -11.057  15.466
   28   2HO*    U   5          2HO*        U   5  15.044  -9.277  16.234
   29    H1*    U   5           H1*        U   5  17.924  -8.667  15.727
   30    H3     U   5           H3         U   5  21.909 -10.372  15.038
   31    H5     U   5           H5         U   5  21.459  -9.583  19.182
   32    H6     U   5           H6         U   5  19.054  -9.377  18.819
   33   1H5*    G   6          1H5*        G   6  16.106 -13.239  13.392
   34   2H5*    G   6          2H5*        G   6  15.160 -14.382  14.463
   35    H4*    G   6           H4*        G   6  17.199 -15.295  14.157
   36    H3*    G   6           H3*        G   6  16.371 -14.182  16.769
   37    H2*    G   6           H2*        G   6  18.171 -12.731  16.346
   38   2HO*    G   6          2HO*        G   6  18.170 -12.985  18.330
   39    H1*    G   6           H1*        G   6  19.585 -15.050  15.098
   40    H8     G   6           H8         G   6  20.274 -12.730  17.889
   41    H1     G   6           H1         G   6  25.580 -13.468  14.493
   42   1H2     G   6          1H2         G   6  23.653 -14.587  11.823
   43   2H2     G   6          2H2         G   6  25.236 -14.190  12.437
   44   1H5*    G   7          1H5*        G   7  19.494 -18.306  17.423
   45   2H5*    G   7          2H5*        G   7  19.112 -16.680  16.743
   46    H4*    G   7           H4*        G   7  19.890 -18.245  14.566
   47    H3*    G   7           H3*        G   7  21.521 -19.047  16.989
   48    H2*    G   7           H2*        G   7  23.591 -18.401  15.885
   49   2HO*    G   7          2HO*        G   7  21.957 -18.695  13.613
   50    H1*    G   7           H1*        G   7  22.907 -16.362  14.707
   51    H8     G   7           H8         G   7  21.089 -15.398  17.826
   52    H1     G   7           H1         G   7  27.581 -14.742  17.994
   53   1H2     G   7          1H2         G   7  27.267 -16.946  15.136
   54   2H2     G   7          2H2         G   7  28.321 -16.026  16.184
   55   1H5*   CH   8          1H5*       CH   8  23.037 -21.748  13.821
   56   2H5*   CH   8          2H5*       CH   8  23.257 -23.395  14.455
   57    H4*   CH   8           H4*       CH   8  25.465 -22.331  13.515
   58    H3*   CH   8           H3*       CH   8  25.053 -23.097  16.562
   59    H2*   CH   8           H2*       CH   8  27.376 -22.433  16.879
   60   2HO*   CH   8          2HO*       CH   8  27.572 -22.869  14.009
   61    H1*   CH   8           H1*       CH   8  27.484 -20.716  14.937
   62    HN3   CH   8           HN3       CH   8  29.432 -18.441  18.172
   63   1H4    CH   8          1H4        CH   8  27.046 -16.953  20.229
   64   2H4    CH   8          2H4        CH   8  28.734 -16.917  19.917
   65    H5    CH   8           H5        CH   8  25.371 -18.416  19.339
   66    H6    CH   8           H6        CH   8  24.908 -20.002  17.462
   67   1H5*    G   9          1H5*        G   9  21.949 -25.127  15.930
   68   2H5*    G   9          2H5*        G   9  22.738 -23.667  16.577
   69    H4*    G   9           H4*        G   9  21.012 -24.674  18.092
   70    H3*    G   9           H3*        G   9  23.793 -24.051  18.766
   71    H2*    G   9           H2*        G   9  24.271 -25.596  20.369
   72   2HO*    G   9          2HO*        G   9  22.335 -24.801  21.563
   73    H1*    G   9           H1*        G   9  22.682 -27.715  19.800
   74    H8     G   9           H8         G   9  23.551 -27.870  16.548
   75    H1     G   9           H1         G   9  29.071 -27.416  19.709
   76   1H2     G   9          1H2         G   9  28.710 -26.619  21.752
   77   2H2     G   9          2H2         G   9  27.111 -26.201  22.326
   78   1H5*    C  10          1H5*        C  10  21.974 -23.949  23.267
   79   2H5*    C  10          2H5*        C  10  20.946 -22.690  23.926
   80    H4*    C  10           H4*        C  10  22.839 -22.692  25.446
   81    H3*    C  10           H3*        C  10  24.207 -20.849  23.431
   82    H2*    C  10           H2*        C  10  25.704 -20.550  25.019
   83   2HO*    C  10          2HO*        C  10  23.692 -21.592  26.656
   84    H1*    C  10           H1*        C  10  25.844 -23.321  25.420
   85   1H4     C  10          1H4         C  10  29.173 -24.180  20.007
   86   2H4     C  10          2H4         C  10  30.413 -23.658  21.141
   87    H5     C  10           H5         C  10  26.822 -23.937  20.427
   88    H6     C  10           H6         C  10  25.207 -23.603  21.996
   89   1H5*    C  11          1H5*        C  11  23.374 -15.971  26.770
   90   2H5*    C  11          2H5*        C  11  23.244 -15.851  25.005
   91    H4*    C  11           H4*        C  11  25.633 -16.685  26.801
   92    H3*    C  11           H3*        C  11  26.022 -15.363  24.023
   93    H2*    C  11           H2*        C  11  28.203 -15.947  24.391
   94   2HO*    C  11          2HO*        C  11  29.052 -16.385  26.364
   95    H1*    C  11           H1*        C  11  27.593 -18.363  25.628
   96   1H4     C  11          1H4         C  11  28.199 -20.849  19.898
   97   2H4     C  11          2H4         C  11  29.781 -20.497  20.413
   98    H5     C  11           H5         C  11  26.125 -19.937  21.010
   99    H6     C  11           H6         C  11  25.496 -18.511  22.739
  100   1H5*    G  12          1H5*        G  12  27.971 -12.776  26.517
  101   2H5*    G  12          2H5*        G  12  27.835 -11.003  26.354
  102    H4*    G  12           H4*        G  12  30.199 -11.739  26.129
  103    H3*    G  12           H3*        G  12  29.091 -11.108  23.320
  104    H2*    G  12           H2*        G  12  31.145 -11.491  22.507
  105   2HO*    G  12          2HO*        G  12  31.977 -11.149  25.144
  106    H1*    G  12           H1*        G  12  31.750 -13.588  23.908
  107    H8     G  12           H8         G  12  28.275 -14.290  22.945
  108    H1     G  12           H1         G  12  32.777 -16.644  19.185
  109   1H2     G  12          1H2         G  12  35.001 -14.538  20.890
  110   2H2     G  12          2H2         G  12  34.790 -15.774  19.657
  111   1H5*    A  13          1H5*        A  13  32.258  -7.601  21.366
  112   2H5*    A  13          2H5*        A  13  31.575  -8.962  20.461
  113    H4*    A  13           H4*        A  13  33.944  -8.752  19.827
  114    H3*    A  13           H3*        A  13  32.991 -11.085  21.378
  115    H2*    A  13           H2*        A  13  34.745 -11.176  22.709
  116   2HO*    A  13          2HO*        A  13  36.829 -11.733  21.311
  117    H1*    A  13           H1*        A  13  36.213  -9.381  20.730
  118    H8     A  13           H8         A  13  35.705  -8.460  24.338
  119   1H6     A  13          1H6         A  13  40.131  -9.227  26.098
  120   2H6     A  13          2H6         A  13  41.565  -9.984  25.443
  121    H2     A  13           H2         A  13  40.528 -11.364  21.292
  122   1H5*    C  14          1H5*        C  14  35.160 -13.373  18.819
  123   2H5*    C  14          2H5*        C  14  36.528 -13.403  17.800
  124    H4*    C  14           H4*        C  14  35.701 -15.143  16.734
  125    H3*    C  14           H3*        C  14  33.903 -12.957  15.813
  126    H2*    C  14           H2*        C  14  32.150 -14.552  15.148
  127   2HO*    C  14          2HO*        C  14  32.686 -16.661  14.760
  128    H1*    C  14           H1*        C  14  32.416 -16.329  17.044
  129   1H4     C  14          1H4         C  14  28.847 -12.472  20.720
  130   2H4     C  14          2H4         C  14  27.741 -13.396  19.728
  131    H5     C  14           H5         C  14  31.255 -12.465  20.253
  132    H6     C  14           H6         C  14  32.964 -13.300  18.735
  133   1H5*    C  15          1H5*        C  15  34.280 -13.796  10.782
  134   2H5*    C  15          2H5*        C  15  33.570 -12.194  10.668
  135    H4*    C  15           H4*        C  15  32.406 -14.636   9.906
  136    H3*    C  15           H3*        C  15  31.016 -11.999  10.465
  137    H2*    C  15           H2*        C  15  29.087 -13.001   9.787
  138   2HO*    C  15          2HO*        C  15  29.100 -14.787   8.756
  139    H1*    C  15           H1*        C  15  29.383 -15.388  11.235
  140   1H4     C  15          1H4         C  15  28.463 -12.318  16.767
  141   2H4     C  15          2H4         C  15  26.831 -12.698  16.347
  142    H5     C  15           H5         C  15  30.156 -12.482  15.611
  143    H6     C  15           H6         C  15  31.189 -13.090  13.522
  144   1H5*    A  16          1H5*        A  16  28.828 -12.997   7.009
  145   2H5*    A  16          2H5*        A  16  28.585 -11.459   6.295
  146    H4*    A  16           H4*        A  16  26.505 -12.708   6.659
  147    H3*    A  16           H3*        A  16  26.701 -10.069   8.084
  148    H2*    A  16           H2*        A  16  24.402 -10.564   9.007
  149   2HO*    A  16          2HO*        A  16  24.344 -12.393   6.771
  150    H1*    A  16           H1*        A  16  24.604 -13.124   9.194
  151    H8     A  16           H8         A  16  27.642 -11.805  10.934
  152   1H6     A  16          1H6         A  16  25.886 -10.905  15.155
  153   2H6     A  16          2H6         A  16  24.288 -10.567  15.828
  154    H2     A  16           H2         A  16  21.430 -10.953  12.386
  155   1H5*    C  17          1H5*        C  17  23.877  -9.459   6.383
  156   2H5*    C  17          2H5*        C  17  23.354  -7.913   5.703
  157    H4*    C  17           H4*        C  17  22.110  -8.447   7.738
  158    H3*    C  17           H3*        C  17  24.038  -6.135   7.967
  159    H2*    C  17           H2*        C  17  23.311  -5.781  10.169
  160   2HO*    C  17          2HO*        C  17  21.324  -6.795  10.907
  161    H1*    C  17           H1*        C  17  22.499  -8.373  10.596
  162   1H4     C  17          1H4         C  17  27.674  -8.903  14.345
  163   2H4     C  17          2H4         C  17  26.364  -8.337  15.316
  164    H5     C  17           H5         C  17  27.557  -8.914  11.680
  165    H6     C  17           H6         C  17  26.016  -8.613   9.926
  166   1H5*    U  18          1H5*        U  18  21.893  -1.656   8.430
  167   2H5*    U  18          2H5*        U  18  23.589  -1.824   8.812
  168    H4*    U  18           H4*        U  18  21.188  -3.026  10.288
  169    H3*    U  18           H3*        U  18  22.535  -0.604  10.760
  170    H2*    U  18           H2*        U  18  24.051  -1.453  12.511
  171   2HO*    U  18          2HO*        U  18  21.368  -1.568  13.332
  172    H1*    U  18           H1*        U  18  22.296  -3.603  12.917
  173    H3     U  18           H3         U  18  25.349  -4.627  16.010
  174    H5     U  18           H5         U  18  27.002  -5.527  12.259
  175    H6     U  18           H6         U  18  25.327  -4.203  11.269
  176   1H5*    U  19          1H5*        U  19  18.405  -2.447  11.752
  177   2H5*    U  19          2H5*        U  19  17.203  -1.518  10.956
  178    H4*    U  19           H4*        U  19  16.251  -2.254  13.183
  179    H3*    U  19           H3*        U  19  16.108   0.558  12.928
  180    H2*    U  19           H2*        U  19  18.549   0.797  13.872
  181   2HO*    U  19          2HO*        U  19  16.329   1.293  15.631
  182    H1*    U  19           H1*        U  19  17.283  -0.877  16.009
  183    H3     U  19           H3         U  19  20.714  -0.858  18.893
  184    H5     U  19           H5         U  19  22.612  -0.239  15.165
  185    H6     U  19           H6         U  19  20.518  -0.250  14.158
  186   1H5*    A  20          1H5*        A  20  14.324  -1.213  11.289
  187   2H5*    A  20          2H5*        A  20  12.697  -1.824  11.654
  188    H4*    A  20           H4*        A  20  14.010  -3.270  10.020
  189    H3*    A  20           H3*        A  20  13.169  -4.400  12.733
  190    H2*    A  20           H2*        A  20  13.979  -6.479  12.227
  191   2HO*    A  20          2HO*        A  20  14.114  -7.207  10.202
  192    H1*    A  20           H1*        A  20  16.191  -5.583  10.781
  193    H8     A  20           H8         A  20  14.602  -5.870  14.249
  194   1H6     A  20          1H6         A  20  20.267  -5.810  16.610
  195   2H6     A  20          2H6         A  20  18.568  -6.032  16.955
  196    H2     A  20           H2         A  20  20.596  -5.053  12.185
  197   1H5*    A  21          1H5*        A  21  12.424  -7.185   8.814
  198   2H5*    A  21          2H5*        A  21  10.908  -7.951   9.331
  199    H4*    A  21           H4*        A  21  12.556  -9.656   8.602
  200    H3*    A  21           H3*        A  21  11.526  -9.564  11.419
  201    H2*    A  21           H2*        A  21  13.282 -10.709  12.374
  202   2HO*    A  21          2HO*        A  21  13.765 -12.198  10.080
  203    H1*    A  21           H1*        A  21  15.083 -10.893  10.281
  204    H8     A  21           H8         A  21  14.787  -9.857  13.733
  205   1H6     A  21          1H6         A  21  19.099  -7.831  14.246
  206   2H6     A  21          2H6         A  21  20.302  -7.273  13.108
  207    H2     A  21           H2         A  21  18.676  -8.099   8.990
  208   1H5*    A  22          1H5*        A  22  12.323 -15.053   8.248
  209   2H5*    A  22          2H5*        A  22  13.624 -14.893   9.401
  210    H4*    A  22           H4*        A  22  13.289 -13.151   6.892
  211    H3*    A  22           H3*        A  22  14.755 -15.681   7.556
  212    H2*    A  22           H2*        A  22  16.765 -14.786   7.630
  213   2HO*    A  22          2HO*        A  22  17.463 -14.860   5.642
  214    H1*    A  22           H1*        A  22  16.030 -12.105   6.623
  215    H8     A  22           H8         A  22  16.732 -13.398  10.173
  216   1H6     A  22          1H6         A  22  22.103 -10.395   9.570
  217   2H6     A  22          2H6         A  22  21.128 -11.331  10.678
  218    H2     A  22           H2         A  22  20.013 -10.110   5.828
  219   1H5*    A  23          1H5*        A  23  17.094 -15.119   3.875
  220   2H5*    A  23          2H5*        A  23  16.700 -16.638   3.054
  221    H4*    A  23           H4*        A  23  19.003 -16.650   2.988
  222    H3*    A  23           H3*        A  23  18.481 -17.892   5.764
  223    H2*    A  23           H2*        A  23  21.026 -18.426   5.686
  224   2HO*    A  23          2HO*        A  23  21.296 -18.813   3.607
  225    H1*    A  23           H1*        A  23  21.544 -15.832   4.814
  226    H8     A  23           H8         A  23  18.707 -15.803   7.454
  227   1H6     A  23          1H6         A  23  23.174 -13.549  11.110
  228   2H6     A  23          2H6         A  23  21.468 -13.859  11.048
  229    H2     A  23           H2         A  23  24.968 -14.890   7.234
  230   1H5*    A  24          1H5*        A  24  22.046 -21.790   3.831
  231   2H5*    A  24          2H5*        A  24  20.942 -22.624   4.940
  232    H4*    A  24           H4*        A  24  23.387 -22.457   5.796
  233    H3*    A  24           H3*        A  24  21.066 -22.027   7.482
  234    H2*    A  24           H2*        A  24  22.204 -20.645   8.775
  235   2HO*    A  24          2HO*        A  24  24.361 -21.533   9.523
  236    H1*    A  24           H1*        A  24  24.800 -20.913   7.291
  237    H8     A  24           H8         A  24  22.239 -18.453   8.930
  238   1H6     A  24          1H6         A  24  25.461 -15.091  10.110
  239   2H6     A  24          2H6         A  24  27.099 -14.773   9.586
  240    H2     A  24           H2         A  24  28.133 -17.888   6.570
  241   1H5*    C  25          1H5*        C  25  20.157 -25.770   8.664
  242   2H5*    C  25          2H5*        C  25  21.363 -24.475   8.789
  243    H4*    C  25           H4*        C  25  21.742 -25.984  10.577
  244    H3*    C  25           H3*        C  25  23.754 -25.403   8.813
  245    H2*    C  25           H2*        C  25  23.496 -27.066   7.399
  246   2HO*    C  25          2HO*        C  25  25.620 -27.394   8.187
  247    H1*    C  25           H1*        C  25  23.021 -29.179   9.480
  248   1H4     C  25          1H4         C  25  20.009 -32.864   5.378
  249   2H4     C  25          2H4         C  25  20.281 -31.743   4.063
  250    H5     C  25           H5         C  25  21.516 -29.695   4.355
  251    H6     C  25           H6         C  25  22.090 -27.967   5.979
  252   1H5*    A  26          1H5*        A  26  26.602 -23.705  12.003
  253   2H5*    A  26          2H5*        A  26  25.338 -24.081  10.827
  254    H4*    A  26           H4*        A  26  27.370 -24.677   9.254
  255    H3*    A  26           H3*        A  26  28.708 -23.301  11.505
  256    H2*    A  26           H2*        A  26  29.454 -21.453  10.401
  257   2HO*    A  26          2HO*        A  26  30.735 -22.242   8.883
  258    H1*    A  26           H1*        A  26  27.722 -21.168   8.297
  259    H8     A  26           H8         A  26  25.547 -21.461  11.279
  260   1H6     A  26          1H6         A  26  26.260 -17.159  13.427
  261   2H6     A  26          2H6         A  26  27.349 -15.839  13.080
  262    H2     A  26           H2         A  26  29.912 -17.100   9.613
  263   1H5*    C  27          1H5*        C  27  32.265 -23.368   9.595
  264   2H5*    C  27          2H5*        C  27  33.482 -24.369  10.404
  265    H4*    C  27           H4*        C  27  34.369 -22.101  10.284
  266    H3*    C  27           H3*        C  27  33.167 -22.187  13.021
  267    H2*    C  27           H2*        C  27  34.325 -20.123  13.294
  268   2HO*    C  27          2HO*        C  27  36.272 -20.641  12.416
  269    H1*    C  27           H1*        C  27  33.821 -19.379  10.587
  270   1H4     C  27          1H4         C  27  29.136 -16.460  14.178
  271   2H4     C  27          2H4         C  27  30.366 -15.269  13.842
  272    H5     C  27           H5         C  27  29.429 -18.666  13.808
  273    H6     C  27           H6         C  27  30.624 -20.410  12.398
  274   1H5*    C  28          1H5*        C  28  38.034 -21.045  13.435
  275   2H5*    C  28          2H5*        C  28  38.227 -22.071  14.867
  276    H4*    C  28           H4*        C  28  39.151 -19.633  14.939
  277    H3*    C  28           H3*        C  28  37.518 -21.011  17.024
  278    H2*    C  28           H2*        C  28  37.298 -19.147  18.360
  279   2HO*    C  28          2HO*        C  28  39.298 -18.366  18.595
  280    H1*    C  28           H1*        C  28  37.077 -17.157  16.392
  281   1H4     C  28          1H4         C  28  31.274 -19.995  17.896
  282   2H4     C  28          2H4         C  28  31.389 -18.561  18.904
  283    H5     C  28           H5         C  28  32.948 -20.758  16.530
  284    H6     C  28           H6         C  28  35.119 -20.195  15.346
  285   1H5*    G  29          1H5*        G  29  40.358 -19.809  19.185
  286   2H5*    G  29          2H5*        G  29  41.296 -20.656  20.427
  287    H4*    G  29           H4*        G  29  39.816 -18.845  21.319
  288    H3*    G  29           H3*        G  29  38.766 -21.582  22.129
  289    H2*    G  29           H2*        G  29  37.121 -20.461  23.384
  290   2HO*    G  29          2HO*        G  29  37.253 -18.239  23.818
  291    H1*    G  29           H1*        G  29  36.772 -18.359  21.521
  292    H8     G  29           H8         G  29  36.544 -21.359  19.243
  293    H1     G  29           H1         G  29  30.903 -19.571  21.777
  294   1H2     G  29          1H2         G  29  33.056 -17.905  24.233
  295   2H2     G  29          2H2         G  29  31.422 -18.238  23.711
  296   1H5*    G  30          1H5*        G  30  40.076 -19.941  25.594
  297   2H5*    G  30          2H5*        G  30  40.287 -20.889  27.078
  298    H4*    G  30           H4*        G  30  38.043 -19.681  26.628
  299    H3*    G  30           H3*        G  30  38.181 -22.628  27.297
  300    H2*    G  30           H2*        G  30  35.876 -22.806  27.046
  301   2HO*    G  30          2HO*        G  30  34.524 -20.920  27.379
  302    H1*    G  30           H1*        G  30  35.654 -20.315  25.572
  303    H8     G  30           H8         G  30  36.985 -22.629  22.893
  304    H1     G  30           H1         G  30  30.627 -22.701  23.421
  305   1H2     G  30          1H2         G  30  31.065 -21.355  26.623
  306   2H2     G  30          2H2         G  30  29.950 -21.905  25.385
  Start of MODEL   14
    1   1H5*    A   3          1H5*        A   3  24.680  -4.641  26.777
    2   2H5*    A   3          2H5*        A   3  23.008  -4.537  27.414
    3    H4*    A   3           H4*        A   3  22.996  -2.985  25.789
    4    H3*    A   3           H3*        A   3  22.327  -5.445  24.015
    5    H2*    A   3           H2*        A   3  22.234  -4.171  22.155
    6   2HO*    A   3          2HO*        A   3  21.725  -2.078  22.115
    7    H1*    A   3           H1*        A   3  24.512  -2.603  22.769
    8    H8     A   3           H8         A   3  25.979  -5.623  23.189
    9   1H6     A   3          1H6         A   3  27.033  -6.519  18.611
   10   2H6     A   3          2H6         A   3  26.346  -5.963  17.073
   11    H2     A   3           H2         A   3  22.974  -3.197  18.160
   12   1H5*    G   4          1H5*        G   4  19.406  -8.080  23.637
   13   2H5*    G   4          2H5*        G   4  20.961  -7.153  23.781
   14    H4*    G   4           H4*        G   4  19.165  -6.048  21.717
   15    H3*    G   4           H3*        G   4  19.866  -9.019  20.740
   16    H2*    G   4           H2*        G   4  20.155  -8.181  18.645
   17   2HO*    G   4          2HO*        G   4  19.259  -6.297  17.934
   18    H1*    G   4           H1*        G   4  21.263  -5.713  19.343
   19    H8     G   4           H8         G   4  23.345  -7.673  21.312
   20    H1     G   4           H1         G   4  24.586  -7.822  14.976
   21   1H2     G   4          1H2         G   4  21.130  -6.760  14.992
   22   2H2     G   4          2H2         G   4  22.532  -7.151  14.031
   23   1H5*    U   5          1H5*        U   5  16.226  -8.625  18.604
   24   2H5*    U   5          2H5*        U   5  15.200 -10.060  18.752
   25    H4*    U   5           H4*        U   5  15.749  -9.644  16.401
   26    H3*    U   5           H3*        U   5  17.501 -12.008  17.300
   27    H2*    U   5           H2*        U   5  18.003 -12.199  14.964
   28   2HO*    U   5          2HO*        U   5  15.752 -10.549  14.744
   29    H1*    U   5           H1*        U   5  18.445  -9.587  14.651
   30    H3     U   5           H3         U   5  22.681 -10.623  14.496
   31    H5     U   5           H5         U   5  21.841 -10.277  18.608
   32    H6     U   5           H6         U   5  19.440 -10.245  18.046
   33   1H5*    G   6          1H5*        G   6  15.948 -13.148  14.283
   34   2H5*    G   6          2H5*        G   6  15.398 -14.800  13.959
   35    H4*    G   6           H4*        G   6  17.162 -14.252  12.474
   36    H3*    G   6           H3*        G   6  18.210 -15.990  14.669
   37    H2*    G   6           H2*        G   6  20.263 -16.064  13.439
   38   2HO*    G   6          2HO*        G   6  20.375 -15.188  11.325
   39    H1*    G   6           H1*        G   6  20.106 -13.531  12.568
   40    H8     G   6           H8         G   6  19.776 -13.294  16.331
   41    H1     G   6           H1         G   6  25.755 -13.289  14.060
   42   1H2     G   6          1H2         G   6  24.289 -14.706  11.179
   43   2H2     G   6          2H2         G   6  25.742 -14.153  11.976
   44   1H5*    G   7          1H5*        G   7  19.296 -19.774  15.078
   45   2H5*    G   7          2H5*        G   7  18.733 -18.087  15.083
   46    H4*    G   7           H4*        G   7  20.699 -18.237  13.074
   47    H3*    G   7           H3*        G   7  21.461 -20.058  15.350
   48    H2*    G   7           H2*        G   7  23.278 -18.788  15.963
   49   2HO*    G   7          2HO*        G   7  23.649 -18.865  13.214
   50    H1*    G   7           H1*        G   7  22.886 -16.652  14.334
   51    H8     G   7           H8         G   7  20.973 -15.852  17.379
   52    H1     G   7           H1         G   7  27.357 -14.924  17.675
   53   1H2     G   7          1H2         G   7  27.205 -17.146  14.837
   54   2H2     G   7          2H2         G   7  28.195 -16.185  15.913
   55   1H5*   CH   8          1H5*       CH   8  23.302 -24.162  14.598
   56   2H5*   CH   8          2H5*       CH   8  22.787 -22.590  15.267
   57    H4*   CH   8           H4*       CH   8  25.520 -22.928  13.770
   58    H3*   CH   8           H3*       CH   8  25.327 -23.606  16.911
   59    H2*   CH   8           H2*       CH   8  27.672 -22.813  16.819
   60   2HO*   CH   8          2HO*       CH   8  28.642 -22.367  14.679
   61    H1*   CH   8           H1*       CH   8  27.370 -21.153  14.922
   62    HN3   CH   8           HN3       CH   8  29.348 -18.720  18.040
   63   1H4    CH   8          1H4        CH   8  26.931 -17.347  20.116
   64   2H4    CH   8          2H4        CH   8  28.598 -17.216  19.764
   65    H5    CH   8           H5        CH   8  25.317 -18.938  19.311
   66    H6    CH   8           H6        CH   8  24.896 -20.500  17.445
   67   1H5*    G   9          1H5*        G   9  23.659 -26.867  18.229
   68   2H5*    G   9          2H5*        G   9  22.334 -26.659  17.060
   69    H4*    G   9           H4*        G   9  21.527 -24.737  18.302
   70    H3*    G   9           H3*        G   9  24.157 -24.190  18.902
   71    H2*    G   9           H2*        G   9  24.369 -25.953  20.350
   72   2HO*    G   9          2HO*        G   9  24.036 -24.947  22.593
   73    H1*    G   9           H1*        G   9  21.673 -25.084  21.422
   74    H8     G   9           H8         G   9  21.434 -28.587  20.890
   75    H1     G   9           H1         G   9  24.320 -27.738  26.510
   76   1H2     G   9          1H2         G   9  24.800 -24.464  25.424
   77   2H2     G   9          2H2         G   9  25.035 -25.647  26.691
   78   1H5*    C  10          1H5*        C  10  22.833 -23.626  22.594
   79   2H5*    C  10          2H5*        C  10  21.803 -22.617  23.589
   80    H4*    C  10           H4*        C  10  23.697 -22.799  25.070
   81    H3*    C  10           H3*        C  10  25.247 -20.840  23.282
   82    H2*    C  10           H2*        C  10  26.782 -20.903  24.859
   83   2HO*    C  10          2HO*        C  10  26.471 -21.906  26.791
   84    H1*    C  10           H1*        C  10  26.674 -23.669  24.908
   85   1H4     C  10          1H4         C  10  30.107 -23.977  19.527
   86   2H4     C  10          2H4         C  10  31.311 -23.637  20.766
   87    H5     C  10           H5         C  10  27.723 -23.728  19.893
   88    H6     C  10           H6         C  10  26.055 -23.475  21.452
   89   1H5*    C  11          1H5*        C  11  24.077 -16.312  26.671
   90   2H5*    C  11          2H5*        C  11  23.940 -17.116  25.073
   91    H4*    C  11           H4*        C  11  26.215 -17.736  27.028
   92    H3*    C  11           H3*        C  11  26.422 -15.310  25.137
   93    H2*    C  11           H2*        C  11  28.497 -15.992  24.515
   94   2HO*    C  11          2HO*        C  11  29.903 -17.048  26.012
   95    H1*    C  11           H1*        C  11  28.288 -18.691  25.565
   96   1H4     C  11          1H4         C  11  28.992 -20.729  19.723
   97   2H4     C  11          2H4         C  11  30.571 -20.454  20.288
   98    H5     C  11           H5         C  11  26.941 -19.857  20.859
   99    H6     C  11           H6         C  11  26.280 -18.562  22.671
  100   1H5*    G  12          1H5*        G  12  27.461 -11.065  26.116
  101   2H5*    G  12          2H5*        G  12  26.807 -12.463  25.168
  102    H4*    G  12           H4*        G  12  29.796 -11.991  25.932
  103    H3*    G  12           H3*        G  12  28.746 -10.884  23.209
  104    H2*    G  12           H2*        G  12  30.608 -11.584  22.266
  105   2HO*    G  12          2HO*        G  12  31.702 -11.180  24.769
  106    H1*    G  12           H1*        G  12  31.285 -13.642  23.733
  107    H8     G  12           H8         G  12  27.948 -14.621  22.752
  108    H1     G  12           H1         G  12  32.596 -16.668  19.018
  109   1H2     G  12          1H2         G  12  34.668 -14.363  20.649
  110   2H2     G  12          2H2         G  12  34.532 -15.637  19.445
  111   1H5*    A  13          1H5*        A  13  31.841  -7.591  21.455
  112   2H5*    A  13          2H5*        A  13  31.093  -8.873  20.484
  113    H4*    A  13           H4*        A  13  33.414  -8.715  19.738
  114    H3*    A  13           H3*        A  13  32.509 -11.073  21.279
  115    H2*    A  13           H2*        A  13  34.333 -11.169  22.566
  116   2HO*    A  13          2HO*        A  13  35.360 -11.875  19.993
  117    H1*    A  13           H1*        A  13  35.723  -9.386  20.521
  118    H8     A  13           H8         A  13  35.364  -8.536  24.176
  119   1H6     A  13          1H6         A  13  39.895  -9.209  25.697
  120   2H6     A  13          2H6         A  13  41.319  -9.892  24.946
  121    H2     A  13           H2         A  13  40.126 -11.167  20.804
  122   1H5*    C  14          1H5*        C  14  34.799 -13.175  18.921
  123   2H5*    C  14          2H5*        C  14  36.233 -13.225  17.989
  124    H4*    C  14           H4*        C  14  35.538 -15.092  17.051
  125    H3*    C  14           H3*        C  14  33.980 -12.969  15.743
  126    H2*    C  14           H2*        C  14  32.182 -14.390  15.066
  127   2HO*    C  14          2HO*        C  14  32.539 -16.518  14.689
  128    H1*    C  14           H1*        C  14  32.244 -16.303  16.885
  129   1H4     C  14          1H4         C  14  28.446 -12.625  20.438
  130   2H4     C  14          2H4         C  14  27.420 -13.604  19.413
  131    H5     C  14           H5         C  14  30.852 -12.528  20.065
  132    H6     C  14           H6         C  14  32.623 -13.285  18.630
  133   1H5*    C  15          1H5*        C  15  34.488 -15.105  11.399
  134   2H5*    C  15          2H5*        C  15  34.299 -13.501  10.667
  135    H4*    C  15           H4*        C  15  32.500 -15.568  10.432
  136    H3*    C  15           H3*        C  15  32.257 -12.574  10.216
  137    H2*    C  15           H2*        C  15  29.995 -12.748   9.981
  138   2HO*    C  15          2HO*        C  15  30.314 -14.714   8.547
  139    H1*    C  15           H1*        C  15  29.563 -15.134  11.383
  140   1H4     C  15          1H4         C  15  28.207 -11.794  16.631
  141   2H4     C  15          2H4         C  15  26.682 -12.322  15.976
  142    H5     C  15           H5         C  15  30.266 -11.983  15.559
  143    H6     C  15           H6         C  15  31.474 -12.669  13.463
  144   1H5*    A  16          1H5*        A  16  29.671 -11.796   5.856
  145   2H5*    A  16          2H5*        A  16  29.921 -10.833   7.304
  146    H4*    A  16           H4*        A  16  27.491 -12.246   6.305
  147    H3*    A  16           H3*        A  16  27.770  -9.632   7.847
  148    H2*    A  16           H2*        A  16  25.402 -10.081   8.613
  149   2HO*    A  16          2HO*        A  16  24.151 -11.556   7.493
  150    H1*    A  16           H1*        A  16  25.537 -12.544   8.808
  151    H8     A  16           H8         A  16  28.619 -11.127  10.518
  152   1H6     A  16          1H6         A  16  26.687 -10.701  14.861
  153   2H6     A  16          2H6         A  16  25.020 -10.609  15.454
  154    H2     A  16           H2         A  16  22.388 -11.011  11.860
  155   1H5*    C  17          1H5*        C  17  24.826  -8.979   6.057
  156   2H5*    C  17          2H5*        C  17  24.435  -7.372   5.426
  157    H4*    C  17           H4*        C  17  22.851  -7.991   7.169
  158    H3*    C  17           H3*        C  17  24.818  -5.849   7.953
  159    H2*    C  17           H2*        C  17  23.591  -5.565   9.983
  160   2HO*    C  17          2HO*        C  17  21.558  -6.691  10.231
  161    H1*    C  17           H1*        C  17  22.901  -8.175  10.227
  162   1H4     C  17          1H4         C  17  28.022  -8.866  14.040
  163   2H4     C  17          2H4         C  17  26.662  -8.475  15.028
  164    H5     C  17           H5         C  17  27.979  -8.602  11.406
  165    H6     C  17           H6         C  17  26.479  -8.221   9.611
  166   1H5*    U  18          1H5*        U  18  21.005  -1.653   8.688
  167   2H5*    U  18          2H5*        U  18  22.725  -1.786   9.009
  168    H4*    U  18           H4*        U  18  20.435  -3.089  10.539
  169    H3*    U  18           H3*        U  18  21.608  -0.554  10.964
  170    H2*    U  18           H2*        U  18  23.167  -1.361  12.739
  171   2HO*    U  18          2HO*        U  18  21.700  -2.136  14.560
  172    H1*    U  18           H1*        U  18  21.394  -3.558  13.148
  173    H3     U  18           H3         U  18  24.537  -4.476  16.274
  174    H5     U  18           H5         U  18  25.966  -5.548  12.468
  175    H6     U  18           H6         U  18  24.322  -4.194  11.544
  176   1H5*    U  19          1H5*        U  19  17.284  -2.266  11.365
  177   2H5*    U  19          2H5*        U  19  16.052  -1.063  10.922
  178    H4*    U  19           H4*        U  19  15.227  -2.422  12.898
  179    H3*    U  19           H3*        U  19  15.014   0.375  13.100
  180    H2*    U  19           H2*        U  19  17.403   0.495  14.212
  181   2HO*    U  19          2HO*        U  19  15.522   1.657  15.262
  182    H1*    U  19           H1*        U  19  16.108  -1.571  15.929
  183    H3     U  19           H3         U  19  19.382  -1.541  19.017
  184    H5     U  19           H5         U  19  21.423  -0.526  15.457
  185    H6     U  19           H6         U  19  19.354  -0.643  14.310
  186   1H5*    A  20          1H5*        A  20  13.127  -1.156  10.836
  187   2H5*    A  20          2H5*        A  20  11.615  -1.979  11.269
  188    H4*    A  20           H4*        A  20  13.030  -3.037   9.308
  189    H3*    A  20           H3*        A  20  12.121  -4.576  11.783
  190    H2*    A  20           H2*        A  20  13.150  -6.460  11.169
  191   2HO*    A  20          2HO*        A  20  13.293  -7.102   9.148
  192    H1*    A  20           H1*        A  20  15.284  -5.317   9.766
  193    H8     A  20           H8         A  20  13.729  -5.933  13.228
  194   1H6     A  20          1H6         A  20  19.446  -6.176  15.451
  195   2H6     A  20          2H6         A  20  17.749  -6.368  15.825
  196    H2     A  20           H2         A  20  19.695  -5.087  11.093
  197   1H5*    A  21          1H5*        A  21  10.129  -8.482  10.894
  198   2H5*    A  21          2H5*        A  21  11.387  -7.621  11.794
  199    H4*    A  21           H4*        A  21  11.881  -9.826   9.707
  200    H3*    A  21           H3*        A  21  11.430  -9.953  12.649
  201    H2*    A  21           H2*        A  21  13.591 -10.464  13.256
  202   2HO*    A  21          2HO*        A  21  13.512 -12.203  11.028
  203    H1*    A  21           H1*        A  21  14.814 -10.634  10.738
  204    H8     A  21           H8         A  21  14.543  -8.612  13.972
  205   1H6     A  21          1H6         A  21  20.599  -7.716  13.081
  206   2H6     A  21          2H6         A  21  19.353  -7.829  14.303
  207    H2     A  21           H2         A  21  18.680  -8.815   9.164
  208   1H5*    A  22          1H5*        A  22  13.097 -13.659   8.260
  209   2H5*    A  22          2H5*        A  22  14.444 -13.492   9.364
  210    H4*    A  22           H4*        A  22  13.994 -11.697   6.909
  211    H3*    A  22           H3*        A  22  15.439 -14.291   7.378
  212    H2*    A  22           H2*        A  22  17.485 -13.462   7.248
  213   2HO*    A  22          2HO*        A  22  18.011 -12.195   5.288
  214    H1*    A  22           H1*        A  22  16.735 -10.720   6.495
  215    H8     A  22           H8         A  22  17.451 -11.757  10.047
  216   1H6     A  22          1H6         A  22  23.271 -10.024   8.892
  217   2H6     A  22          2H6         A  22  22.204 -10.627  10.135
  218    H2     A  22           H2         A  22  21.033  -9.698   5.237
  219   1H5*    A  23          1H5*        A  23  17.346 -13.722   3.582
  220   2H5*    A  23          2H5*        A  23  16.863 -15.142   2.636
  221    H4*    A  23           H4*        A  23  19.211 -15.131   2.463
  222    H3*    A  23           H3*        A  23  18.694 -16.824   4.991
  223    H2*    A  23           H2*        A  23  21.254 -17.274   4.908
  224   2HO*    A  23          2HO*        A  23  21.452 -17.408   2.749
  225    H1*    A  23           H1*        A  23  21.800 -14.619   4.452
  226    H8     A  23           H8         A  23  18.863 -15.155   6.963
  227   1H6     A  23          1H6         A  23  23.086 -13.876  11.224
  228   2H6     A  23          2H6         A  23  21.430 -14.228  10.977
  229    H2     A  23           H2         A  23  25.163 -14.103   7.209
  230   1H5*    A  24          1H5*        A  24  22.292 -20.363   2.617
  231   2H5*    A  24          2H5*        A  24  21.145 -21.294   3.599
  232    H4*    A  24           H4*        A  24  23.598 -21.301   4.497
  233    H3*    A  24           H3*        A  24  21.249 -21.064   6.184
  234    H2*    A  24           H2*        A  24  22.389 -19.905   7.671
  235   2HO*    A  24          2HO*        A  24  24.198 -20.924   8.618
  236    H1*    A  24           H1*        A  24  25.004 -20.021   6.204
  237    H8     A  24           H8         A  24  22.462 -17.761   8.157
  238   1H6     A  24          1H6         A  24  27.462 -14.533   9.642
  239   2H6     A  24          2H6         A  24  25.778 -14.818  10.018
  240    H2     A  24           H2         A  24  28.490 -17.126   6.194
  241   1H5*    C  25          1H5*        C  25  20.117 -24.750   8.186
  242   2H5*    C  25          2H5*        C  25  19.539 -23.377   9.125
  243    H4*    C  25           H4*        C  25  22.252 -23.372   9.715
  244    H3*    C  25           H3*        C  25  21.541 -26.262   9.517
  245    H2*    C  25           H2*        C  25  22.627 -26.619  11.497
  246   2HO*    C  25          2HO*        C  25  23.824 -24.234  11.946
  247    H1*    C  25           H1*        C  25  22.187 -24.140  12.700
  248   1H4     C  25          1H4         C  25  18.925 -28.276  16.246
  249   2H4     C  25          2H4         C  25  17.871 -28.671  14.907
  250    H5     C  25           H5         C  25  18.109 -27.690  12.702
  251    H6     C  25           H6         C  25  19.438 -26.205  11.332
  252   1H5*    A  26          1H5*        A  26  27.050 -25.019  10.118
  253   2H5*    A  26          2H5*        A  26  25.719 -23.884   9.917
  254    H4*    A  26           H4*        A  26  27.781 -23.990   7.743
  255    H3*    A  26           H3*        A  26  28.353 -23.090  10.551
  256    H2*    A  26           H2*        A  26  29.159 -21.035   9.928
  257   2HO*    A  26          2HO*        A  26  30.697 -21.664   8.469
  258    H1*    A  26           H1*        A  26  27.657 -20.506   7.670
  259    H8     A  26           H8         A  26  25.216 -21.411  10.362
  260   1H6     A  26          1H6         A  26  26.703 -16.086  13.203
  261   2H6     A  26          2H6         A  26  25.644 -17.470  13.291
  262    H2     A  26           H2         A  26  29.491 -16.715   9.763
  263   1H5*    C  27          1H5*        C  27  32.589 -23.298   9.189
  264   2H5*    C  27          2H5*        C  27  33.539 -24.324  10.281
  265    H4*    C  27           H4*        C  27  34.600 -22.091  10.146
  266    H3*    C  27           H3*        C  27  33.058 -21.997  12.726
  267    H2*    C  27           H2*        C  27  34.359 -20.001  13.082
  268   2HO*    C  27          2HO*        C  27  36.327 -20.563  12.350
  269    H1*    C  27           H1*        C  27  34.036 -19.223  10.400
  270   1H4     C  27          1H4         C  27  30.208 -15.464  13.683
  271   2H4     C  27          2H4         C  27  29.004 -16.720  13.854
  272    H5     C  27           H5         C  27  29.417 -18.912  13.352
  273    H6     C  27           H6         C  27  30.748 -20.475  11.841
  274   1H5*    C  28          1H5*        C  28  38.038 -20.745  13.208
  275   2H5*    C  28          2H5*        C  28  38.146 -21.805  14.622
  276    H4*    C  28           H4*        C  28  39.117 -19.352  14.723
  277    H3*    C  28           H3*        C  28  37.628 -20.907  16.769
  278    H2*    C  28           H2*        C  28  37.230 -19.155  18.195
  279   2HO*    C  28          2HO*        C  28  39.176 -18.320  18.578
  280    H1*    C  28           H1*        C  28  37.012 -16.997  16.400
  281   1H4     C  28          1H4         C  28  31.297 -20.102  17.685
  282   2H4     C  28          2H4         C  28  31.327 -18.689  18.724
  283    H5     C  28           H5         C  28  33.030 -20.765  16.327
  284    H6     C  28           H6         C  28  35.163 -20.025  15.160
  285   1H5*    G  29          1H5*        G  29  41.026 -19.925  19.020
  286   2H5*    G  29          2H5*        G  29  41.845 -21.136  20.023
  287    H4*    G  29           H4*        G  29  40.693 -19.253  21.291
  288    H3*    G  29           H3*        G  29  39.358 -21.939  21.774
  289    H2*    G  29           H2*        G  29  37.923 -20.854  23.316
  290   2HO*    G  29          2HO*        G  29  38.278 -18.669  23.905
  291    H1*    G  29           H1*        G  29  37.540 -18.587  21.695
  292    H8     G  29           H8         G  29  37.321 -21.375  19.149
  293    H1     G  29           H1         G  29  31.687 -19.653  21.731
  294   1H2     G  29          1H2         G  29  33.833 -18.218  24.335
  295   2H2     G  29          2H2         G  29  32.197 -18.471  23.767
  296   1H5*    G  30          1H5*        G  30  40.892 -20.948  25.402
  297   2H5*    G  30          2H5*        G  30  41.237 -22.127  26.681
  298    H4*    G  30           H4*        G  30  39.112 -20.744  26.913
  299    H3*    G  30           H3*        G  30  38.933 -23.761  26.772
  300    H2*    G  30           H2*        G  30  36.599 -23.645  26.975
  301   2HO*    G  30          2HO*        G  30  37.235 -21.529  28.561
  302    H1*    G  30           H1*        G  30  36.359 -21.042  25.801
  303    H8     G  30           H8         G  30  37.816 -23.016  22.915
  304    H1     G  30           H1         G  30  31.457 -22.968  23.153
  305   1H2     G  30          1H2         G  30  31.789 -22.040  26.511
  306   2H2     G  30          2H2         G  30  30.720 -22.396  25.169
  Start of MODEL   15
    1   1H5*    A   3          1H5*        A   3  24.743  -3.224  27.146
    2   2H5*    A   3          2H5*        A   3  23.030  -3.453  27.638
    3    H4*    A   3           H4*        A   3  22.951  -1.884  25.902
    4    H3*    A   3           H3*        A   3  22.685  -4.479  24.214
    5    H2*    A   3           H2*        A   3  22.353  -3.097  22.380
    6   2HO*    A   3          2HO*        A   3  21.800  -1.006  22.451
    7    H1*    A   3           H1*        A   3  24.595  -1.473  23.001
    8    H8     A   3           H8         A   3  26.088  -4.373  23.605
    9   1H6     A   3          1H6         A   3  27.234  -5.512  18.991
   10   2H6     A   3          2H6         A   3  26.529  -5.028  17.436
   11    H2     A   3           H2         A   3  23.117  -2.282  18.402
   12   1H5*    G   4          1H5*        G   4  19.783  -3.390  23.246
   13   2H5*    G   4          2H5*        G   4  18.104  -3.943  23.426
   14    H4*    G   4           H4*        G   4  18.431  -3.747  21.141
   15    H3*    G   4           H3*        G   4  19.600  -6.674  21.321
   16    H2*    G   4           H2*        G   4  19.720  -6.578  18.883
   17   2HO*    G   4          2HO*        G   4  18.889  -4.756  17.799
   18    H1*    G   4           H1*        G   4  20.695  -4.041  18.922
   19    H8     G   4           H8         G   4  22.713  -5.521  21.532
   20    H1     G   4           H1         G   4  24.261  -6.669  15.381
   21   1H2     G   4          1H2         G   4  20.809  -5.628  15.102
   22   2H2     G   4          2H2         G   4  22.239  -6.147  14.255
   23   1H5*    U   5          1H5*        U   5  16.256  -6.879  19.165
   24   2H5*    U   5          2H5*        U   5  14.984  -8.092  19.287
   25    H4*    U   5           H4*        U   5  15.693  -7.961  16.992
   26    H3*    U   5           H3*        U   5  17.104 -10.468  18.092
   27    H2*    U   5           H2*        U   5  17.504 -10.763  15.708
   28   2HO*    U   5          2HO*        U   5  15.463  -9.044  15.593
   29    H1*    U   5           H1*        U   5  18.355  -8.361  15.403
   30    H3     U   5           H3         U   5  22.416  -9.869  15.179
   31    H5     U   5           H5         U   5  21.784  -8.856  19.225
   32    H6     U   5           H6         U   5  19.388  -8.748  18.736
   33   1H5*    G   6          1H5*        G   6  16.597 -13.010  13.655
   34   2H5*    G   6          2H5*        G   6  15.708 -14.092  14.823
   35    H4*    G   6           H4*        G   6  17.782 -14.975  14.505
   36    H3*    G   6           H3*        G   6  16.959 -13.739  17.078
   37    H2*    G   6           H2*        G   6  18.755 -12.335  16.588
   38   2HO*    G   6          2HO*        G   6  18.774 -12.465  18.553
   39    H1*    G   6           H1*        G   6  20.172 -14.631  15.408
   40    H8     G   6           H8         G   6  20.844 -12.151  18.050
   41    H1     G   6           H1         G   6  26.160 -12.961  14.678
   42   1H2     G   6          1H2         G   6  24.271 -14.212  12.043
   43   2H2     G   6          2H2         G   6  25.839 -13.772  12.676
   44   1H5*    G   7          1H5*        G   7  20.137 -17.896  17.506
   45   2H5*    G   7          2H5*        G   7  19.688 -16.287  16.828
   46    H4*    G   7           H4*        G   7  20.019 -17.933  14.616
   47    H3*    G   7           H3*        G   7  21.892 -18.966  16.720
   48    H2*    G   7           H2*        G   7  23.919 -18.260  15.515
   49   2HO*    G   7          2HO*        G   7  22.105 -18.383  13.357
   50    H1*    G   7           H1*        G   7  23.267 -16.164  14.502
   51    H8     G   7           H8         G   7  21.485 -15.321  17.660
   52    H1     G   7           H1         G   7  27.951 -14.744  17.846
   53   1H2     G   7          1H2         G   7  27.694 -16.806  14.829
   54   2H2     G   7          2H2         G   7  28.726 -15.937  15.929
   55   1H5*   CH   8          1H5*       CH   8  22.796 -21.409  13.449
   56   2H5*   CH   8          2H5*       CH   8  23.118 -23.122  13.755
   57    H4*   CH   8           H4*       CH   8  25.292 -21.855  13.211
   58    H3*   CH   8           H3*       CH   8  24.681 -22.906  16.126
   59    H2*   CH   8           H2*       CH   8  26.866 -22.173  16.721
   60   2HO*   CH   8          2HO*       CH   8  28.465 -21.547  14.932
   61    H1*   CH   8           H1*       CH   8  27.108 -20.423  14.724
   62    HN3   CH   8           HN3       CH   8  29.354 -18.522  17.969
   63   1H4    CH   8          1H4        CH   8  27.271 -16.658  20.045
   64   2H4    CH   8          2H4        CH   8  28.936 -16.897  19.701
   65    H5    CH   8           H5        CH   8  25.342 -17.917  19.151
   66    H6    CH   8           H6        CH   8  24.655 -19.481  17.311
   67   1H5*    G   9          1H5*        G   9  21.862 -24.948  15.420
   68   2H5*    G   9          2H5*        G   9  22.450 -23.449  16.189
   69    H4*    G   9           H4*        G   9  20.734 -24.764  17.510
   70    H3*    G   9           H3*        G   9  23.296 -23.770  18.444
   71    H2*    G   9           H2*        G   9  23.960 -25.390  19.945
   72   2HO*    G   9          2HO*        G   9  22.224 -25.003  21.314
   73    H1*    G   9           H1*        G   9  22.585 -27.626  19.244
   74    H8     G   9           H8         G   9  25.171 -25.099  18.113
   75    H1     G   9           H1         G   9  26.437 -31.021  16.127
   76   1H2     G   9          1H2         G   9  24.706 -32.337  16.512
   77   2H2     G   9          2H2         G   9  23.232 -31.766  17.260
   78   1H5*    C  10          1H5*        C  10  20.961 -22.895  22.576
   79   2H5*    C  10          2H5*        C  10  20.970 -21.092  22.383
   80    H4*    C  10           H4*        C  10  21.836 -21.831  24.673
   81    H3*    C  10           H3*        C  10  24.019 -20.519  22.943
   82    H2*    C  10           H2*        C  10  25.480 -20.684  24.580
   83   2HO*    C  10          2HO*        C  10  23.210 -21.432  26.145
   84    H1*    C  10           H1*        C  10  25.017 -23.279  25.005
   85   1H4     C  10          1H4         C  10  28.215 -24.551  19.616
   86   2H4     C  10          2H4         C  10  29.465 -24.052  20.755
   87    H5     C  10           H5         C  10  25.831 -24.214  20.017
   88    H6     C  10           H6         C  10  24.187 -23.619  21.602
   89   1H5*    C  11          1H5*        C  11  23.300 -15.488  25.455
   90   2H5*    C  11          2H5*        C  11  23.095 -16.650  24.108
   91    H4*    C  11           H4*        C  11  25.433 -16.768  26.111
   92    H3*    C  11           H3*        C  11  25.694 -15.152  23.481
   93    H2*    C  11           H2*        C  11  27.814 -15.939  23.327
   94   2HO*    C  11          2HO*        C  11  27.737 -15.629  26.032
   95    H1*    C  11           H1*        C  11  27.441 -18.270  24.880
   96   1H4     C  11          1H4         C  11  27.946 -21.430  19.552
   97   2H4     C  11          2H4         C  11  29.535 -21.141  20.079
   98    H5     C  11           H5         C  11  25.927 -20.243  20.463
   99    H6     C  11           H6         C  11  25.341 -18.579  22.046
  100   1H5*    G  12          1H5*        G  12  28.802 -12.984  26.233
  101   2H5*    G  12          2H5*        G  12  28.575 -11.273  25.753
  102    H4*    G  12           H4*        G  12  31.011 -12.006  25.779
  103    H3*    G  12           H3*        G  12  30.064 -11.561  22.882
  104    H2*    G  12           H2*        G  12  32.229 -11.772  22.307
  105   2HO*    G  12          2HO*        G  12  33.861 -12.429  23.918
  106    H1*    G  12           H1*        G  12  32.633 -14.032  23.502
  107    H8     G  12           H8         G  12  29.046 -14.221  22.719
  108    H1     G  12           H1         G  12  32.900 -17.312  18.797
  109   1H2     G  12          1H2         G  12  35.565 -15.626  20.390
  110   2H2     G  12          2H2         G  12  35.091 -16.827  19.189
  111   1H5*    A  13          1H5*        A  13  32.758  -8.125  20.995
  112   2H5*    A  13          2H5*        A  13  31.432  -9.079  20.352
  113    H4*    A  13           H4*        A  13  32.730 -10.112  18.732
  114    H3*    A  13           H3*        A  13  34.639 -10.623  20.800
  115    H2*    A  13           H2*        A  13  35.919  -8.717  20.547
  116   2HO*    A  13          2HO*        A  13  37.578  -9.103  18.918
  117    H1*    A  13           H1*        A  13  35.428  -8.375  17.613
  118    H8     A  13           H8         A  13  33.875  -5.852  19.523
  119   1H6     A  13          1H6         A  13  39.195  -2.873  20.373
  120   2H6     A  13          2H6         A  13  37.456  -2.767  20.532
  121    H2     A  13           H2         A  13  40.116  -6.963  18.759
  122   1H5*    C  14          1H5*        C  14  35.473 -13.576  18.411
  123   2H5*    C  14          2H5*        C  14  36.900 -14.217  17.665
  124    H4*    C  14           H4*        C  14  35.760 -15.644  16.437
  125    H3*    C  14           H3*        C  14  34.402 -13.182  15.397
  126    H2*    C  14           H2*        C  14  32.265 -14.145  15.352
  127   2HO*    C  14          2HO*        C  14  31.825 -16.243  15.171
  128    H1*    C  14           H1*        C  14  32.700 -16.209  16.919
  129   1H4     C  14          1H4         C  14  29.171 -12.623  20.662
  130   2H4     C  14          2H4         C  14  28.112 -13.540  19.599
  131    H5     C  14           H5         C  14  31.573 -12.555  20.181
  132    H6     C  14           H6         C  14  33.300 -13.373  18.692
  133   1H5*    C  15          1H5*        C  15  34.754 -13.452  10.558
  134   2H5*    C  15          2H5*        C  15  34.043 -11.858  10.637
  135    H4*    C  15           H4*        C  15  32.814 -14.352   9.996
  136    H3*    C  15           H3*        C  15  31.519 -11.648  10.473
  137    H2*    C  15           H2*        C  15  29.552 -12.640   9.933
  138   2HO*    C  15          2HO*        C  15  29.485 -14.478   9.007
  139    H1*    C  15           H1*        C  15  29.899 -14.968  11.512
  140   1H4     C  15          1H4         C  15  29.052 -11.623  16.926
  141   2H4     C  15          2H4         C  15  27.428 -12.070  16.532
  142    H5     C  15           H5         C  15  30.801 -11.805  15.701
  143    H6     C  15           H6         C  15  31.768 -12.536  13.628
  144   1H5*    A  16          1H5*        A  16  29.157 -12.869   6.975
  145   2H5*    A  16          2H5*        A  16  28.791 -11.312   6.383
  146    H4*    A  16           H4*        A  16  26.825 -12.871   6.999
  147    H3*    A  16           H3*        A  16  27.074  -9.993   7.789
  148    H2*    A  16           H2*        A  16  24.973 -10.263   9.209
  149   2HO*    A  16          2HO*        A  16  24.479 -12.203   7.167
  150    H1*    A  16           H1*        A  16  25.122 -12.836   9.615
  151    H8     A  16           H8         A  16  28.205 -11.390  11.141
  152   1H6     A  16          1H6         A  16  26.431 -10.280  15.410
  153   2H6     A  16          2H6         A  16  24.807  -9.955  16.038
  154    H2     A  16           H2         A  16  22.013 -10.581  12.580
  155   1H5*    C  17          1H5*        C  17  23.286  -7.270   5.851
  156   2H5*    C  17          2H5*        C  17  24.936  -7.018   6.473
  157    H4*    C  17           H4*        C  17  22.378  -7.750   7.984
  158    H3*    C  17           H3*        C  17  24.184  -5.315   8.327
  159    H2*    C  17           H2*        C  17  23.392  -5.158  10.474
  160   2HO*    C  17          2HO*        C  17  21.469  -6.232  11.136
  161    H1*    C  17           H1*        C  17  22.771  -7.822  10.725
  162   1H4     C  17          1H4         C  17  27.741  -7.805  14.754
  163   2H4     C  17          2H4         C  17  26.348  -7.268  15.618
  164    H5     C  17           H5         C  17  27.789  -7.936  12.082
  165    H6     C  17           H6         C  17  26.329  -7.850  10.218
  166   1H5*    U  18          1H5*        U  18  20.853  -1.046   9.050
  167   2H5*    U  18          2H5*        U  18  22.559  -1.468   9.173
  168    H4*    U  18           H4*        U  18  20.364  -2.487  11.017
  169    H3*    U  18           H3*        U  18  21.678   0.033  11.182
  170    H2*    U  18           H2*        U  18  23.290  -0.709  12.928
  171   2HO*    U  18          2HO*        U  18  20.664  -0.607  13.896
  172    H1*    U  18           H1*        U  18  21.504  -2.842  13.451
  173    H3     U  18           H3         U  18  24.672  -3.613  16.585
  174    H5     U  18           H5         U  18  26.110  -4.882  12.858
  175    H6     U  18           H6         U  18  24.481  -3.572  11.831
  176   1H5*    U  19          1H5*        U  19  17.420  -2.555  12.240
  177   2H5*    U  19          2H5*        U  19  16.251  -1.643  11.312
  178    H4*    U  19           H4*        U  19  15.155  -2.429  13.463
  179    H3*    U  19           H3*        U  19  14.838   0.351  13.097
  180    H2*    U  19           H2*        U  19  17.152   0.798  14.248
  181   2HO*    U  19          2HO*        U  19  15.266   2.116  14.948
  182    H1*    U  19           H1*        U  19  15.863  -0.893  16.349
  183    H3     U  19           H3         U  19  19.089  -0.487  19.443
  184    H5     U  19           H5         U  19  21.175   0.156  15.824
  185    H6     U  19           H6         U  19  19.155  -0.078  14.676
  186   1H5*    A  20          1H5*        A  20  12.432  -1.897  11.205
  187   2H5*    A  20          2H5*        A  20  11.263  -2.892  12.101
  188    H4*    A  20           H4*        A  20  12.657  -4.141  10.228
  189    H3*    A  20           H3*        A  20  12.376  -5.061  13.114
  190    H2*    A  20           H2*        A  20  13.913  -6.630  12.969
  191   2HO*    A  20          2HO*        A  20  14.453  -7.588  10.900
  192    H1*    A  20           H1*        A  20  15.470  -5.650  10.851
  193    H8     A  20           H8         A  20  14.463  -5.104  14.537
  194   1H6     A  20          1H6         A  20  18.760  -4.439  16.494
  195   2H6     A  20          2H6         A  20  20.378  -4.360  15.847
  196    H2     A  20           H2         A  20  20.065  -4.847  11.443
  197   1H5*    A  21          1H5*        A  21  12.804  -7.682   9.873
  198   2H5*    A  21          2H5*        A  21  11.748  -8.204   8.564
  199    H4*    A  21           H4*        A  21  12.417 -10.409   8.775
  200    H3*    A  21           H3*        A  21  11.763  -9.991  11.608
  201    H2*    A  21           H2*        A  21  13.624 -10.863  12.456
  202   2HO*    A  21          2HO*        A  21  13.906 -12.803  10.517
  203    H1*    A  21           H1*        A  21  15.167 -11.495  10.201
  204    H8     A  21           H8         A  21  15.362 -10.003  13.486
  205   1H6     A  21          1H6         A  21  20.439  -6.953  11.923
  206   2H6     A  21          2H6         A  21  19.428  -7.464  13.254
  207    H2     A  21           H2         A  21  18.643  -8.569   8.170
  208   1H5*    A  22          1H5*        A  22  13.697 -14.449   8.284
  209   2H5*    A  22          2H5*        A  22  14.860 -14.067   9.534
  210    H4*    A  22           H4*        A  22  14.795 -12.732   6.779
  211    H3*    A  22           H3*        A  22  16.270 -15.096   7.955
  212    H2*    A  22           H2*        A  22  18.312 -14.272   7.600
  213   2HO*    A  22          2HO*        A  22  18.603 -14.554   5.513
  214    H1*    A  22           H1*        A  22  17.455 -11.655   6.572
  215    H8     A  22           H8         A  22  17.834 -12.297  10.296
  216   1H6     A  22          1H6         A  22  23.299  -9.509   9.669
  217   2H6     A  22          2H6         A  22  22.133 -10.097  10.832
  218    H2     A  22           H2         A  22  21.731 -10.182   5.731
  219   1H5*    A  23          1H5*        A  23  17.628 -15.823   4.541
  220   2H5*    A  23          2H5*        A  23  17.340 -17.438   3.865
  221    H4*    A  23           H4*        A  23  19.653 -17.278   3.886
  222    H3*    A  23           H3*        A  23  19.061 -18.337   6.730
  223    H2*    A  23           H2*        A  23  21.617 -18.752   6.792
  224   2HO*    A  23          2HO*        A  23  22.086 -19.178   4.776
  225    H1*    A  23           H1*        A  23  22.011 -16.177   5.848
  226    H8     A  23           H8         A  23  18.982 -16.243   8.319
  227   1H6     A  23          1H6         A  23  21.523 -14.101  12.079
  228   2H6     A  23          2H6         A  23  23.127 -13.505  12.102
  229    H2     A  23           H2         A  23  25.150 -14.745   8.277
  230   1H5*    A  24          1H5*        A  24  22.578 -22.434   4.483
  231   2H5*    A  24          2H5*        A  24  21.488 -23.275   5.599
  232    H4*    A  24           H4*        A  24  23.907 -23.461   6.394
  233    H3*    A  24           H3*        A  24  22.011 -22.364   8.374
  234    H2*    A  24           H2*        A  24  23.994 -22.286   9.752
  235   2HO*    A  24          2HO*        A  24  25.844 -23.372   8.943
  236    H1*    A  24           H1*        A  24  25.831 -21.721   7.906
  237    H8     A  24           H8         A  24  23.024 -20.316   9.907
  238   1H6     A  24          1H6         A  24  26.386 -15.161  10.372
  239   2H6     A  24          2H6         A  24  25.079 -16.085  11.075
  240    H2     A  24           H2         A  24  28.146 -17.735   7.104
  241   1H5*    C  25          1H5*        C  25  20.376 -25.832  10.393
  242   2H5*    C  25          2H5*        C  25  21.561 -24.666   9.864
  243    H4*    C  25           H4*        C  25  22.255 -26.131  11.680
  244    H3*    C  25           H3*        C  25  23.859 -25.406   9.478
  245    H2*    C  25           H2*        C  25  23.801 -27.294   8.350
  246   2HO*    C  25          2HO*        C  25  25.823 -28.273  10.063
  247    H1*    C  25           H1*        C  25  24.087 -28.993  10.800
  248   1H4     C  25          1H4         C  25  22.689 -33.350   6.412
  249   2H4     C  25          2H4         C  25  21.112 -32.620   6.213
  250    H5     C  25           H5         C  25  20.391 -30.741   7.583
  251    H6     C  25           H6         C  25  21.293 -28.680   8.674
  252   1H5*    A  26          1H5*        A  26  27.046 -22.986  12.396
  253   2H5*    A  26          2H5*        A  26  25.814 -23.500  11.232
  254    H4*    A  26           H4*        A  26  27.866 -24.228   9.771
  255    H3*    A  26           H3*        A  26  29.179 -22.713  11.928
  256    H2*    A  26           H2*        A  26  29.939 -20.919  10.752
  257   2HO*    A  26          2HO*        A  26  30.330 -21.212   8.387
  258    H1*    A  26           H1*        A  26  28.274 -20.811   8.540
  259    H8     A  26           H8         A  26  25.956 -20.909  11.335
  260   1H6     A  26          1H6         A  26  27.507 -15.181  12.900
  261   2H6     A  26          2H6         A  26  26.392 -16.498  13.176
  262    H2     A  26           H2         A  26  30.438 -16.623   9.808
  263   1H5*    C  27          1H5*        C  27  32.550 -23.625  10.089
  264   2H5*    C  27          2H5*        C  27  33.477 -25.069   9.585
  265    H4*    C  27           H4*        C  27  35.182 -24.553  11.003
  266    H3*    C  27           H3*        C  27  33.379 -25.130  13.087
  267    H2*    C  27           H2*        C  27  32.699 -23.131  13.700
  268   2HO*    C  27          2HO*        C  27  34.052 -23.610  15.392
  269    H1*    C  27           H1*        C  27  35.069 -21.663  13.005
  270   1H4     C  27          1H4         C  27  31.983 -16.750  13.486
  271   2H4     C  27          2H4         C  27  32.348 -16.590  11.784
  272    H5     C  27           H5         C  27  33.902 -18.754  10.776
  273    H6     C  27           H6         C  27  32.977 -20.873  10.406
  274   1H5*    C  28          1H5*        C  28  37.237 -23.211  13.725
  275   2H5*    C  28          2H5*        C  28  38.335 -23.938  14.916
  276    H4*    C  28           H4*        C  28  38.683 -21.516  14.820
  277    H3*    C  28           H3*        C  28  37.450 -22.748  17.226
  278    H2*    C  28           H2*        C  28  37.039 -20.750  18.281
  279   2HO*    C  28          2HO*        C  28  39.065 -19.899  18.317
  280    H1*    C  28           H1*        C  28  36.771 -19.075  15.958
  281   1H4     C  28          1H4         C  28  30.744 -20.483  18.036
  282   2H4     C  28          2H4         C  28  31.171 -19.006  18.883
  283    H5     C  28           H5         C  28  32.126 -21.588  16.608
  284    H6     C  28           H6         C  28  34.379 -21.855  15.555
  285   1H5*    G  29          1H5*        G  29  40.333 -21.112  19.331
  286   2H5*    G  29          2H5*        G  29  41.011 -22.044  20.676
  287    H4*    G  29           H4*        G  29  39.565 -20.045  21.285
  288    H3*    G  29           H3*        G  29  38.292 -22.653  22.203
  289    H2*    G  29           H2*        G  29  36.743 -21.272  23.317
  290   2HO*    G  29          2HO*        G  29  37.066 -19.029  23.499
  291    H1*    G  29           H1*        G  29  36.586 -19.386  21.250
  292    H8     G  29           H8         G  29  36.219 -22.577  19.281
  293    H1     G  29           H1         G  29  30.683 -20.134  21.373
  294   1H2     G  29          1H2         G  29  32.878 -18.336  23.700
  295   2H2     G  29          2H2         G  29  31.239 -18.613  23.158
  296   1H5*    G  30          1H5*        G  30  39.211 -20.733  25.460
  297   2H5*    G  30          2H5*        G  30  39.242 -21.427  27.092
  298    H4*    G  30           H4*        G  30  37.122 -20.220  26.352
  299    H3*    G  30           H3*        G  30  37.050 -23.084  27.303
  300    H2*    G  30           H2*        G  30  34.798 -23.255  26.783
  301   2HO*    G  30          2HO*        G  30  33.445 -21.330  26.896
  302    H1*    G  30           H1*        G  30  34.785 -20.807  25.199
  303    H8     G  30           H8         G  30  36.084 -23.257  22.625
  304    H1     G  30           H1         G  30  29.709 -23.033  22.992
  305   1H2     G  30          1H2         G  30  30.163 -21.594  26.154
  306   2H2     G  30          2H2         G  30  29.050 -22.137  24.916
  Start of MODEL   16
    1   1H5*    A   3          1H5*        A   3  25.963  -3.263  26.145
    2   2H5*    A   3          2H5*        A   3  24.341  -3.559  26.861
    3    H4*    A   3           H4*        A   3  23.928  -2.078  25.170
    4    H3*    A   3           H3*        A   3  23.668  -4.700  23.511
    5    H2*    A   3           H2*        A   3  23.020  -3.385  21.715
    6   2HO*    A   3          2HO*        A   3  22.200  -1.395  21.872
    7    H1*    A   3           H1*        A   3  25.184  -1.572  22.067
    8    H8     A   3           H8         A   3  27.000  -4.310  22.498
    9   1H6     A   3          1H6         A   3  27.794  -5.412  17.913
   10   2H6     A   3          2H6         A   3  26.919  -5.081  16.408
   11    H2     A   3           H2         A   3  23.303  -2.688  17.586
   12   1H5*    G   4          1H5*        G   4  20.537  -3.919  23.028
   13   2H5*    G   4          2H5*        G   4  18.960  -4.647  23.392
   14    H4*    G   4           H4*        G   4  19.047  -4.493  21.064
   15    H3*    G   4           H3*        G   4  20.555  -7.274  21.225
   16    H2*    G   4           H2*        G   4  20.411  -7.265  18.808
   17   2HO*    G   4          2HO*        G   4  19.294  -5.603  17.745
   18    H1*    G   4           H1*        G   4  21.123  -4.659  18.649
   19    H8     G   4           H8         G   4  23.577  -5.835  21.080
   20    H1     G   4           H1         G   4  24.639  -7.070  14.833
   21   1H2     G   4          1H2         G   4  21.076  -6.421  14.825
   22   2H2     G   4          2H2         G   4  22.483  -6.831  13.887
   23   1H5*    U   5          1H5*        U   5  16.462  -9.077  19.813
   24   2H5*    U   5          2H5*        U   5  16.556 -10.790  20.066
   25    H4*    U   5           H4*        U   5  16.392  -9.745  17.606
   26    H3*    U   5           H3*        U   5  18.715 -11.778  17.915
   27    H2*    U   5           H2*        U   5  18.844 -11.606  15.576
   28   2HO*    U   5          2HO*        U   5  16.446 -10.080  15.855
   29    H1*    U   5           H1*        U   5  18.990  -8.991  15.597
   30    H3     U   5           H3         U   5  23.158 -10.228  14.998
   31    H5     U   5           H5         U   5  22.721  -9.395  19.129
   32    H6     U   5           H6         U   5  20.285  -9.462  18.809
   33   1H5*    G   6          1H5*        G   6  16.468 -13.165  15.585
   34   2H5*    G   6          2H5*        G   6  15.815 -14.760  15.157
   35    H4*    G   6           H4*        G   6  17.380 -14.118  13.481
   36    H3*    G   6           H3*        G   6  18.604 -16.061  15.434
   37    H2*    G   6           H2*        G   6  20.604 -16.003  14.192
   38   2HO*    G   6          2HO*        G   6  18.863 -15.499  12.126
   39    H1*    G   6           H1*        G   6  20.373 -13.465  13.284
   40    H8     G   6           H8         G   6  20.414 -13.131  17.046
   41    H1     G   6           H1         G   6  26.133 -13.219  14.173
   42   1H2     G   6          1H2         G   6  24.377 -14.725  11.504
   43   2H2     G   6          2H2         G   6  25.905 -14.144  12.136
   44   1H5*    G   7          1H5*        G   7  19.794 -19.835  15.678
   45   2H5*    G   7          2H5*        G   7  19.347 -18.157  16.018
   46    H4*    G   7           H4*        G   7  20.908 -18.114  13.628
   47    H3*    G   7           H3*        G   7  21.919 -20.294  15.344
   48    H2*    G   7           H2*        G   7  23.628 -19.154  16.228
   49   2HO*    G   7          2HO*        G   7  24.167 -19.109  13.510
   50    H1*    G   7           H1*        G   7  23.405 -16.821  14.641
   51    H8     G   7           H8         G   7  21.799 -16.040  17.850
   52    H1     G   7           H1         G   7  28.120 -14.876  17.530
   53   1H2     G   7          1H2         G   7  27.916 -17.176  14.796
   54   2H2     G   7          2H2         G   7  28.924 -16.132  15.774
   55   1H5*   CH   8          1H5*       CH   8  23.776 -23.893  13.860
   56   2H5*   CH   8          2H5*       CH   8  23.698 -23.597  15.616
   57    H4*   CH   8           H4*       CH   8  26.001 -22.818  13.688
   58    H3*   CH   8           H3*       CH   8  25.725 -23.799  16.721
   59    H2*   CH   8           H2*       CH   8  27.944 -22.909  16.953
   60   2HO*   CH   8          2HO*       CH   8  29.165 -22.277  14.902
   61    H1*   CH   8           H1*       CH   8  27.748 -21.210  14.929
   62    HN3   CH   8           HN3       CH   8  29.948 -18.758  17.829
   63   1H4    CH   8          1H4        CH   8  29.585 -17.475  19.159
   64   2H4    CH   8          2H4        CH   8  28.164 -17.003  20.034
   65    H5    CH   8           H5        CH   8  26.006 -18.767  19.384
   66    H6    CH   8           H6        CH   8  25.421 -20.490  17.647
   67   1H5*    G   9          1H5*        G   9  25.241 -25.710  18.091
   68   2H5*    G   9          2H5*        G   9  23.954 -26.883  17.715
   69    H4*    G   9           H4*        G   9  23.643 -23.908  18.367
   70    H3*    G   9           H3*        G   9  24.039 -26.100  20.098
   71    H2*    G   9           H2*        G   9  22.022 -27.072  19.791
   72   2HO*    G   9          2HO*        G   9  21.683 -25.059  21.685
   73    H1*    G   9           H1*        G   9  20.511 -24.572  19.263
   74    H8     G   9           H8         G   9  21.110 -27.290  16.714
   75    H1     G   9           H1         G   9  15.485 -27.841  19.665
   76   1H2     G   9          1H2         G   9  16.735 -25.416  21.837
   77   2H2     G   9          2H2         G   9  15.403 -26.466  21.407
   78   1H5*    C  10          1H5*        C  10  20.941 -23.619  23.300
   79   2H5*    C  10          2H5*        C  10  20.667 -21.813  23.334
   80    H4*    C  10           H4*        C  10  21.723 -22.641  25.495
   81    H3*    C  10           H3*        C  10  23.595 -20.835  23.814
   82    H2*    C  10           H2*        C  10  25.152 -20.915  25.369
   83   2HO*    C  10          2HO*        C  10  24.851 -21.705  27.372
   84    H1*    C  10           H1*        C  10  25.121 -23.587  25.531
   85   1H4     C  10          1H4         C  10  27.894 -23.917  19.723
   86   2H4     C  10          2H4         C  10  29.186 -23.327  20.766
   87    H5     C  10           H5         C  10  25.567 -23.964  20.391
   88    H6     C  10           H6         C  10  24.060 -23.774  22.173
   89   1H5*    C  11          1H5*        C  11  23.734 -16.328  27.569
   90   2H5*    C  11          2H5*        C  11  23.366 -16.139  25.833
   91    H4*    C  11           H4*        C  11  25.862 -17.408  27.216
   92    H3*    C  11           H3*        C  11  26.053 -15.152  25.085
   93    H2*    C  11           H2*        C  11  27.920 -16.095  24.371
   94   2HO*    C  11          2HO*        C  11  28.370 -16.273  27.059
   95    H1*    C  11           H1*        C  11  27.602 -18.625  25.683
   96   1H4     C  11          1H4         C  11  28.026 -20.829  19.822
   97   2H4     C  11          2H4         C  11  29.614 -20.401  20.256
   98    H5     C  11           H5         C  11  25.991 -20.135  21.109
   99    H6     C  11           H6         C  11  25.363 -18.797  22.937
  100   1H5*    G  12          1H5*        G  12  27.882 -11.157  25.582
  101   2H5*    G  12          2H5*        G  12  27.544 -12.561  24.477
  102    H4*    G  12           H4*        G  12  30.321 -11.769  25.678
  103    H3*    G  12           H3*        G  12  29.474 -10.543  22.952
  104    H2*    G  12           H2*        G  12  31.230 -11.349  21.898
  105   2HO*    G  12          2HO*        G  12  32.432 -10.818  24.295
  106    H1*    G  12           H1*        G  12  32.099 -13.370  23.268
  107    H8     G  12           H8         G  12  28.622 -14.367  22.574
  108    H1     G  12           H1         G  12  33.197 -16.572  18.657
  109   1H2     G  12          1H2         G  12  35.244 -14.156  20.205
  110   2H2     G  12          2H2         G  12  35.135 -15.474  19.046
  111   1H5*    A  13          1H5*        A  13  33.383  -7.589  21.727
  112   2H5*    A  13          2H5*        A  13  32.404  -8.564  20.621
  113    H4*    A  13           H4*        A  13  34.600  -8.889  19.879
  114    H3*    A  13           H3*        A  13  33.288 -11.079  21.164
  115    H2*    A  13           H2*        A  13  34.879 -11.884  22.578
  116   2HO*    A  13          2HO*        A  13  35.934 -12.211  20.107
  117    H1*    A  13           H1*        A  13  37.158 -10.257  21.900
  118    H8     A  13           H8         A  13  34.348 -10.850  24.524
  119   1H6     A  13          1H6         A  13  36.811  -9.482  28.410
  120   2H6     A  13          2H6         A  13  38.384  -8.754  28.642
  121    H2     A  13           H2         A  13  40.172  -8.191  24.558
  122   1H5*    C  14          1H5*        C  14  36.186 -13.408  18.450
  123   2H5*    C  14          2H5*        C  14  37.265 -13.062  17.107
  124    H4*    C  14           H4*        C  14  36.224 -14.943  16.311
  125    H3*    C  14           H3*        C  14  34.482 -12.602  15.498
  126    H2*    C  14           H2*        C  14  32.751 -14.121  14.741
  127   2HO*    C  14          2HO*        C  14  33.202 -16.241  14.345
  128    H1*    C  14           H1*        C  14  33.148 -16.003  16.537
  129   1H4     C  14          1H4         C  14  29.268 -12.431  20.203
  130   2H4     C  14          2H4         C  14  28.210 -13.458  19.276
  131    H5     C  14           H5         C  14  31.650 -12.224  19.693
  132    H6     C  14           H6         C  14  33.405 -12.931  18.155
  133   1H5*    C  15          1H5*        C  15  34.651 -14.713  11.352
  134   2H5*    C  15          2H5*        C  15  34.608 -13.294  10.305
  135    H4*    C  15           H4*        C  15  32.867 -15.188  10.011
  136    H3*    C  15           H3*        C  15  32.181 -12.269   9.909
  137    H2*    C  15           H2*        C  15  29.953 -12.766   9.599
  138   2HO*    C  15          2HO*        C  15  29.493 -14.740   8.859
  139    H1*    C  15           H1*        C  15  29.786 -15.108  11.079
  140   1H4     C  15          1H4         C  15  28.807 -11.629  16.432
  141   2H4     C  15          2H4         C  15  27.228 -12.185  15.944
  142    H5     C  15           H5         C  15  30.716 -11.808  15.188
  143    H6     C  15           H6         C  15  31.750 -12.560  13.058
  144   1H5*    A  16          1H5*        A  16  29.071 -12.432   5.687
  145   2H5*    A  16          2H5*        A  16  29.509 -11.138   6.781
  146    H4*    A  16           H4*        A  16  27.057 -12.748   6.605
  147    H3*    A  16           H3*        A  16  27.504  -9.927   7.655
  148    H2*    A  16           H2*        A  16  25.345 -10.295   8.925
  149   2HO*    A  16          2HO*        A  16  24.994 -12.218   6.805
  150    H1*    A  16           H1*        A  16  25.561 -12.775   9.315
  151    H8     A  16           H8         A  16  28.781 -11.176  10.567
  152   1H6     A  16          1H6         A  16  27.205 -10.272  15.039
  153   2H6     A  16          2H6         A  16  25.591 -10.113  15.750
  154    H2     A  16           H2         A  16  22.669 -10.938  12.522
  155   1H5*    C  17          1H5*        C  17  24.319  -9.770   6.225
  156   2H5*    C  17          2H5*        C  17  23.569  -8.398   5.405
  157    H4*    C  17           H4*        C  17  22.411  -8.884   7.495
  158    H3*    C  17           H3*        C  17  24.033  -6.335   7.558
  159    H2*    C  17           H2*        C  17  23.179  -5.910   9.720
  160   2HO*    C  17          2HO*        C  17  21.391  -7.187  10.510
  161    H1*    C  17           H1*        C  17  22.836  -8.530  10.357
  162   1H4     C  17          1H4         C  17  28.142  -7.869  13.922
  163   2H4     C  17          2H4         C  17  26.772  -7.445  14.887
  164    H5     C  17           H5         C  17  27.966  -8.116  11.261
  165    H6     C  17           H6         C  17  26.327  -8.290   9.518
  166   1H5*    U  18          1H5*        U  18  20.915  -2.660   7.827
  167   2H5*    U  18          2H5*        U  18  22.451  -2.008   8.351
  168    H4*    U  18           H4*        U  18  20.330  -3.574   9.886
  169    H3*    U  18           H3*        U  18  21.178  -0.914  10.172
  170    H2*    U  18           H2*        U  18  22.845  -1.347  11.930
  171   2HO*    U  18          2HO*        U  18  20.204  -1.470  12.782
  172    H1*    U  18           H1*        U  18  21.400  -3.645  12.732
  173    H3     U  18           H3         U  18  24.861  -3.922  15.661
  174    H5     U  18           H5         U  18  26.172  -5.144  11.867
  175    H6     U  18           H6         U  18  24.286  -4.136  10.940
  176   1H5*    U  19          1H5*        U  19  17.498  -2.759  12.011
  177   2H5*    U  19          2H5*        U  19  16.097  -1.766  11.596
  178    H4*    U  19           H4*        U  19  15.693  -2.786  13.865
  179    H3*    U  19           H3*        U  19  15.355   0.005  13.678
  180    H2*    U  19           H2*        U  19  17.863   0.367  14.406
  181   2HO*    U  19          2HO*        U  19  16.311   0.491  16.803
  182    H1*    U  19           H1*        U  19  16.925  -1.502  16.539
  183    H3     U  19           H3         U  19  20.579  -0.956  19.132
  184    H5     U  19           H5         U  19  22.108  -0.532  15.210
  185    H6     U  19           H6         U  19  19.918  -0.807  14.403
  186   1H5*    A  20          1H5*        A  20  12.787  -1.752  12.328
  187   2H5*    A  20          2H5*        A  20  11.405  -2.578  13.065
  188    H4*    A  20           H4*        A  20  12.679  -3.823  11.129
  189    H3*    A  20           H3*        A  20  12.250  -5.010  13.922
  190    H2*    A  20           H2*        A  20  13.226  -7.009  13.238
  191   2HO*    A  20          2HO*        A  20  12.728  -5.975  10.612
  192    H1*    A  20           H1*        A  20  15.050  -5.851  11.459
  193    H8     A  20           H8         A  20  14.090  -6.313  15.141
  194   1H6     A  20          1H6         A  20  20.089  -6.727  16.346
  195   2H6     A  20          2H6         A  20  18.477  -6.926  16.994
  196    H2     A  20           H2         A  20  19.656  -5.567  12.060
  197   1H5*    A  21          1H5*        A  21  10.076  -8.828  11.838
  198   2H5*    A  21          2H5*        A  21  11.240  -7.733  12.615
  199    H4*    A  21           H4*        A  21  12.156  -9.483  10.270
  200    H3*    A  21           H3*        A  21  11.627 -10.561  13.033
  201    H2*    A  21           H2*        A  21  13.782 -10.967  13.216
  202   2HO*    A  21          2HO*        A  21  14.012 -12.273  10.693
  203    H1*    A  21           H1*        A  21  14.298  -9.978  10.317
  204    H8     A  21           H8         A  21  15.535  -9.924  14.041
  205   1H6     A  21          1H6         A  21  20.838  -7.693  11.943
  206   2H6     A  21          2H6         A  21  19.892  -8.045  13.370
  207    H2     A  21           H2         A  21  18.338  -8.771   8.407
  208   1H5*    A  22          1H5*        A  22  12.533 -15.090   8.878
  209   2H5*    A  22          2H5*        A  22  14.018 -14.951   9.832
  210    H4*    A  22           H4*        A  22  13.249 -13.139   7.460
  211    H3*    A  22           H3*        A  22  15.216 -15.378   8.035
  212    H2*    A  22           H2*        A  22  17.043 -14.258   7.468
  213   2HO*    A  22          2HO*        A  22  15.431 -13.307   5.336
  214    H1*    A  22           H1*        A  22  15.888 -11.628   7.102
  215    H8     A  22           H8         A  22  16.256 -12.259  10.653
  216   1H6     A  22          1H6         A  22  20.964 -11.211  11.310
  217   2H6     A  22          2H6         A  22  22.248 -10.864  10.176
  218    H2     A  22           H2         A  22  20.644 -11.170   6.196
  219   1H5*    A  23          1H5*        A  23  16.716 -14.948   4.604
  220   2H5*    A  23          2H5*        A  23  16.465 -16.395   3.606
  221    H4*    A  23           H4*        A  23  18.746 -16.163   3.437
  222    H3*    A  23           H3*        A  23  18.494 -17.672   6.118
  223    H2*    A  23           H2*        A  23  21.084 -17.835   5.970
  224   2HO*    A  23          2HO*        A  23  21.133 -18.148   3.790
  225    H1*    A  23           H1*        A  23  21.251 -15.168   5.186
  226    H8     A  23           H8         A  23  18.622 -15.687   8.027
  227   1H6     A  23          1H6         A  23  21.525 -14.110  11.687
  228   2H6     A  23          2H6         A  23  23.186 -13.592  11.675
  229    H2     A  23           H2         A  23  24.747 -14.009   7.507
  230   1H5*    A  24          1H5*        A  24  21.964 -21.508   3.733
  231   2H5*    A  24          2H5*        A  24  20.898 -22.300   4.913
  232    H4*    A  24           H4*        A  24  23.485 -22.218   5.557
  233    H3*    A  24           H3*        A  24  21.296 -21.931   7.433
  234    H2*    A  24           H2*        A  24  22.478 -20.551   8.674
  235   2HO*    A  24          2HO*        A  24  24.415 -21.353   9.563
  236    H1*    A  24           H1*        A  24  24.968 -20.658   7.009
  237    H8     A  24           H8         A  24  22.430 -18.373   8.959
  238   1H6     A  24          1H6         A  24  27.232 -14.773   9.789
  239   2H6     A  24          2H6         A  24  25.628 -15.198  10.308
  240    H2     A  24           H2         A  24  28.216 -17.541   6.406
  241   1H5*    C  25          1H5*        C  25  20.062 -25.519   8.276
  242   2H5*    C  25          2H5*        C  25  21.162 -24.218   8.741
  243    H4*    C  25           H4*        C  25  20.984 -25.542  10.660
  244    H3*    C  25           H3*        C  25  23.330 -26.633   9.081
  245    H2*    C  25           H2*        C  25  23.615 -28.103  10.943
  246   2HO*    C  25          2HO*        C  25  23.563 -26.833  12.672
  247    H1*    C  25           H1*        C  25  20.938 -28.348  11.563
  248   1H4     C  25          1H4         C  25  22.361 -33.244   7.361
  249   2H4     C  25          2H4         C  25  22.170 -33.986   8.933
  250    H5     C  25           H5         C  25  22.161 -30.853   6.997
  251    H6     C  25           H6         C  25  22.136 -28.685   8.105
  252   1H5*    A  26          1H5*        A  26  27.841 -25.445  10.714
  253   2H5*    A  26          2H5*        A  26  27.433 -23.861  11.342
  254    H4*    A  26           H4*        A  26  28.381 -24.606   8.567
  255    H3*    A  26           H3*        A  26  29.499 -23.230  10.920
  256    H2*    A  26           H2*        A  26  30.034 -21.230   9.962
  257   2HO*    A  26          2HO*        A  26  31.420 -21.915   8.415
  258    H1*    A  26           H1*        A  26  28.269 -21.005   7.867
  259    H8     A  26           H8         A  26  26.091 -21.789  10.702
  260   1H6     A  26          1H6         A  26  26.350 -17.687  13.349
  261   2H6     A  26          2H6         A  26  27.357 -16.270  13.201
  262    H2     A  26           H2         A  26  30.140 -16.957   9.769
  263   1H5*    C  27          1H5*        C  27  33.074 -23.167   8.995
  264   2H5*    C  27          2H5*        C  27  34.410 -24.097   9.697
  265    H4*    C  27           H4*        C  27  35.093 -21.739   9.594
  266    H3*    C  27           H3*        C  27  34.197 -22.057  12.419
  267    H2*    C  27           H2*        C  27  35.100 -19.882  12.663
  268   2HO*    C  27          2HO*        C  27  37.046 -20.171  11.674
  269    H1*    C  27           H1*        C  27  34.389 -19.138   9.989
  270   1H4     C  27          1H4         C  27  30.768 -15.244  13.289
  271   2H4     C  27          2H4         C  27  29.620 -16.514  13.650
  272    H5     C  27           H5         C  27  30.127 -18.747  13.398
  273    H6     C  27           H6         C  27  31.400 -20.398  11.960
  274   1H5*    C  28          1H5*        C  28  38.756 -21.974  15.176
  275   2H5*    C  28          2H5*        C  28  37.215 -21.276  15.681
  276    H4*    C  28           H4*        C  28  39.719 -19.823  14.757
  277    H3*    C  28           H3*        C  28  38.400 -20.394  17.320
  278    H2*    C  28           H2*        C  28  37.851 -18.309  18.026
  279   2HO*    C  28          2HO*        C  28  39.141 -16.549  17.681
  280    H1*    C  28           H1*        C  28  37.619 -16.780  15.743
  281   1H4     C  28          1H4         C  28  32.033 -20.058  17.334
  282   2H4     C  28          2H4         C  28  32.009 -18.645  18.373
  283    H5     C  28           H5         C  28  33.716 -20.599  15.907
  284    H6     C  28           H6         C  28  35.811 -19.864  14.744
  285   1H5*    G  29          1H5*        G  29  40.414 -18.699  19.090
  286   2H5*    G  29          2H5*        G  29  41.333 -19.212  20.518
  287    H4*    G  29           H4*        G  29  39.337 -17.901  21.105
  288    H3*    G  29           H3*        G  29  38.810 -20.817  21.746
  289    H2*    G  29           H2*        G  29  36.885 -20.037  22.858
  290   2HO*    G  29          2HO*        G  29  38.435 -17.791  23.180
  291    H1*    G  29           H1*        G  29  36.517 -17.876  21.014
  292    H8     G  29           H8         G  29  36.338 -20.782  18.623
  293    H1     G  29           H1         G  29  30.760 -19.475  21.583
  294   1H2     G  29          1H2         G  29  32.974 -17.788  23.975
  295   2H2     G  29          2H2         G  29  31.328 -18.195  23.548
  296   1H5*    G  30          1H5*        G  30  38.824 -18.971  25.030
  297   2H5*    G  30          2H5*        G  30  38.986 -19.685  26.644
  298    H4*    G  30           H4*        G  30  36.700 -18.873  25.945
  299    H3*    G  30           H3*        G  30  37.105 -21.755  26.760
  300    H2*    G  30           H2*        G  30  34.919 -22.254  26.203
  301   2HO*    G  30          2HO*        G  30  33.251 -20.645  26.474
  302    H1*    G  30           H1*        G  30  34.529 -19.683  24.851
  303    H8     G  30           H8         G  30  35.830 -21.755  21.976
  304    H1     G  30           H1         G  30  29.552 -22.463  23.041
  305   1H2     G  30          1H2         G  30  30.195 -21.225  26.256
  306   2H2     G  30          2H2         G  30  29.015 -21.818  25.105
  Start of MODEL   17
    1   1H5*    A   3          1H5*        A   3  24.712  -5.571  26.907
    2   2H5*    A   3          2H5*        A   3  23.280  -5.046  27.774
    3    H4*    A   3           H4*        A   3  22.792  -3.743  26.072
    4    H3*    A   3           H3*        A   3  22.175  -6.312  24.417
    5    H2*    A   3           H2*        A   3  21.743  -5.012  22.566
    6   2HO*    A   3          2HO*        A   3  21.074  -2.965  22.617
    7    H1*    A   3           H1*        A   3  23.987  -3.195  23.027
    8    H8     A   3           H8         A   3  25.700  -6.025  23.212
    9   1H6     A   3          1H6         A   3  26.966  -6.387  18.703
   10   2H6     A   3          2H6         A   3  26.300  -5.805  17.170
   11    H2     A   3           H2         A   3  22.556  -3.533  18.276
   12   1H5*    G   4          1H5*        G   4  19.194  -5.221  23.683
   13   2H5*    G   4          2H5*        G   4  17.661  -6.102  23.807
   14    H4*    G   4           H4*        G   4  18.121  -5.631  21.526
   15    H3*    G   4           H3*        G   4  19.388  -8.542  21.600
   16    H2*    G   4           H2*        G   4  19.568  -8.323  19.221
   17   2HO*    G   4          2HO*        G   4  18.688  -6.507  18.153
   18    H1*    G   4           H1*        G   4  20.395  -5.701  19.364
   19    H8     G   4           H8         G   4  22.615  -7.282  21.850
   20    H1     G   4           H1         G   4  24.190  -7.808  15.623
   21   1H2     G   4          1H2         G   4  20.684  -7.034  15.371
   22   2H2     G   4          2H2         G   4  22.160  -7.399  14.520
   23   1H5*    U   5          1H5*        U   5  15.880  -8.654  19.448
   24   2H5*    U   5          2H5*        U   5  14.673  -9.938  19.391
   25    H4*    U   5           H4*        U   5  15.493  -9.379  17.139
   26    H3*    U   5           H3*        U   5  16.802 -12.075  17.867
   27    H2*    U   5           H2*        U   5  17.338 -11.987  15.488
   28   2HO*    U   5          2HO*        U   5  15.273 -10.287  15.486
   29    H1*    U   5           H1*        U   5  18.127  -9.517  15.638
   30    H3     U   5           H3         U   5  22.226 -10.953  15.169
   31    H5     U   5           H5         U   5  21.544 -10.641  19.317
   32    H6     U   5           H6         U   5  19.152 -10.454  18.843
   33   1H5*    G   6          1H5*        G   6  16.307 -13.988  13.243
   34   2H5*    G   6          2H5*        G   6  15.507 -15.230  14.301
   35    H4*    G   6           H4*        G   6  17.610 -15.944  13.686
   36    H3*    G   6           H3*        G   6  16.765 -15.370  16.455
   37    H2*    G   6           H2*        G   6  18.445 -13.715  16.261
   38   2HO*    G   6          2HO*        G   6  18.606 -14.058  18.116
   39    H1*    G   6           H1*        G   6  19.995 -15.696  14.671
   40    H8     G   6           H8         G   6  20.549 -13.659  17.710
   41    H1     G   6           H1         G   6  25.970 -13.816  14.415
   42   1H2     G   6          1H2         G   6  24.169 -14.741  11.571
   43   2H2     G   6          2H2         G   6  25.722 -14.349  12.289
   44   1H5*    G   7          1H5*        G   7  20.204 -19.385  16.221
   45   2H5*    G   7          2H5*        G   7  19.667 -17.681  16.043
   46    H4*    G   7           H4*        G   7  20.632 -18.271  13.546
   47    H3*    G   7           H3*        G   7  21.998 -20.209  15.247
   48    H2*    G   7           H2*        G   7  23.774 -18.921  15.999
   49   2HO*    G   7          2HO*        G   7  24.081 -18.856  13.215
   50    H1*    G   7           H1*        G   7  23.484 -16.640  14.555
   51    H8     G   7           H8         G   7  21.514 -16.148  17.702
   52    H1     G   7           H1         G   7  27.945 -15.259  17.882
   53   1H2     G   7          1H2         G   7  27.677 -17.249  14.882
   54   2H2     G   7          2H2         G   7  28.716 -16.387  15.992
   55   1H5*   CH   8          1H5*       CH   8  22.405 -22.359  14.806
   56   2H5*   CH   8          2H5*       CH   8  22.985 -23.917  14.149
   57    H4*   CH   8           H4*       CH   8  25.222 -22.505  13.507
   58    H3*   CH   8           H3*       CH   8  24.865 -23.632  16.487
   59    H2*   CH   8           H2*       CH   8  27.132 -22.870  16.677
   60   2HO*   CH   8          2HO*       CH   8  27.157 -23.128  13.779
   61    H1*   CH   8           H1*       CH   8  26.959 -21.065  14.780
   62    HN3   CH   8           HN3       CH   8  29.481 -19.102  17.821
   63   1H4    CH   8          1H4        CH   8  29.265 -17.928  19.283
   64   2H4    CH   8          2H4        CH   8  27.897 -17.432  20.234
   65    H5    CH   8           H5        CH   8  25.589 -18.859  19.509
   66    H6    CH   8           H6        CH   8  24.772 -20.308  17.629
   67   1H5*    G   9          1H5*        G   9  22.122 -25.823  17.481
   68   2H5*    G   9          2H5*        G   9  22.219 -24.882  15.975
   69    H4*    G   9           H4*        G   9  22.970 -22.928  17.360
   70    H3*    G   9           H3*        G   9  23.492 -24.883  19.314
   71    H2*    G   9           H2*        G   9  21.426 -25.052  20.317
   72   2HO*    G   9          2HO*        G   9  22.564 -23.710  21.812
   73    H1*    G   9           H1*        G   9  20.362 -22.448  19.596
   74    H8     G   9           H8         G   9  18.417 -24.040  17.454
   75    H1     G   9           H1         G   9  17.325 -27.082  22.949
   76   1H2     G   9          1H2         G   9  20.352 -25.684  23.971
   77   2H2     G   9          2H2         G   9  18.983 -26.697  24.372
   78   1H5*    C  10          1H5*        C  10  21.856 -22.409  22.792
   79   2H5*    C  10          2H5*        C  10  22.072 -20.593  22.842
   80    H4*    C  10           H4*        C  10  22.682 -21.800  25.056
   81    H3*    C  10           H3*        C  10  24.885 -20.126  23.670
   82    H2*    C  10           H2*        C  10  26.392 -20.645  25.189
   83   2HO*    C  10          2HO*        C  10  24.176 -21.736  26.622
   84    H1*    C  10           H1*        C  10  25.985 -23.249  25.058
   85   1H4     C  10          1H4         C  10  28.901 -23.248  19.345
   86   2H4     C  10          2H4         C  10  30.200 -22.987  20.507
   87    H5     C  10           H5         C  10  26.564 -23.067  19.914
   88    H6     C  10           H6         C  10  24.976 -22.862  21.643
   89   1H5*    C  11          1H5*        C  11  24.036 -15.833  27.073
   90   2H5*    C  11          2H5*        C  11  23.916 -16.784  25.566
   91    H4*    C  11           H4*        C  11  26.260 -17.011  27.551
   92    H3*    C  11           H3*        C  11  26.425 -15.066  25.151
   93    H2*    C  11           H2*        C  11  28.686 -15.529  25.171
   94   2HO*    C  11          2HO*        C  11  29.741 -16.395  26.952
   95    H1*    C  11           H1*        C  11  28.417 -18.178  26.086
   96   1H4     C  11          1H4         C  11  28.894 -20.117  20.157
   97   2H4     C  11          2H4         C  11  30.485 -19.908  20.711
   98    H5     C  11           H5         C  11  26.888 -19.258  21.333
   99    H6     C  11           H6         C  11  26.259 -18.004  23.218
  100   1H5*    G  12          1H5*        G  12  29.135 -13.280  27.237
  101   2H5*    G  12          2H5*        G  12  29.207 -11.512  26.951
  102    H4*    G  12           H4*        G  12  31.244 -12.727  26.110
  103    H3*    G  12           H3*        G  12  29.569 -11.835  23.690
  104    H2*    G  12           H2*        G  12  31.461 -12.356  22.518
  105   2HO*    G  12          2HO*        G  12  32.712 -12.189  24.975
  106    H1*    G  12           H1*        G  12  32.086 -14.479  23.795
  107    H8     G  12           H8         G  12  28.517 -15.129  23.014
  108    H1     G  12           H1         G  12  32.997 -17.204  18.898
  109   1H2     G  12          1H2         G  12  35.122 -15.140  20.754
  110   2H2     G  12          2H2         G  12  34.959 -16.302  19.447
  111   1H5*    A  13          1H5*        A  13  32.556  -8.499  21.879
  112   2H5*    A  13          2H5*        A  13  31.240  -9.393  21.118
  113    H4*    A  13           H4*        A  13  32.554 -10.140  19.376
  114    H3*    A  13           H3*        A  13  34.470 -10.830  21.416
  115    H2*    A  13           H2*        A  13  35.760  -8.948  21.286
  116   2HO*    A  13          2HO*        A  13  37.282  -9.123  19.425
  117    H1*    A  13           H1*        A  13  35.093  -8.380  18.405
  118    H8     A  13           H8         A  13  33.825  -5.921  20.657
  119   1H6     A  13          1H6         A  13  39.302  -3.145  21.006
  120   2H6     A  13          2H6         A  13  37.600  -3.010  21.386
  121    H2     A  13           H2         A  13  39.864  -7.096  18.939
  122   1H5*    C  14          1H5*        C  14  35.447 -13.643  18.804
  123   2H5*    C  14          2H5*        C  14  36.940 -14.001  18.042
  124    H4*    C  14           H4*        C  14  36.072 -15.418  16.597
  125    H3*    C  14           H3*        C  14  34.286 -13.105  15.847
  126    H2*    C  14           H2*        C  14  32.525 -14.627  15.114
  127   2HO*    C  14          2HO*        C  14  33.004 -16.719  14.571
  128    H1*    C  14           H1*        C  14  32.925 -16.582  16.794
  129   1H4     C  14          1H4         C  14  29.164 -13.162  20.788
  130   2H4     C  14          2H4         C  14  28.057 -14.021  19.745
  131    H5     C  14           H5         C  14  31.555 -13.070  20.287
  132    H6     C  14           H6         C  14  33.252 -13.724  18.738
  133   1H5*    C  15          1H5*        C  15  34.749 -13.332  10.809
  134   2H5*    C  15          2H5*        C  15  33.956 -11.767  10.866
  135    H4*    C  15           H4*        C  15  32.922 -14.187   9.863
  136    H3*    C  15           H3*        C  15  31.396 -11.687  10.656
  137    H2*    C  15           H2*        C  15  29.529 -12.741   9.856
  138   2HO*    C  15          2HO*        C  15  29.663 -14.391   8.648
  139    H1*    C  15           H1*        C  15  29.951 -15.217  11.082
  140   1H4     C  15          1H4         C  15  28.733 -12.723  16.863
  141   2H4     C  15          2H4         C  15  27.139 -13.153  16.361
  142    H5     C  15           H5         C  15  30.493 -12.687  15.732
  143    H6     C  15           H6         C  15  31.577 -13.021  13.600
  144   1H5*    A  16          1H5*        A  16  29.308 -12.443   7.097
  145   2H5*    A  16          2H5*        A  16  28.993 -10.878   6.510
  146    H4*    A  16           H4*        A  16  26.958 -12.247   6.738
  147    H3*    A  16           H3*        A  16  27.078  -9.714   8.372
  148    H2*    A  16           H2*        A  16  24.809 -10.354   9.271
  149   2HO*    A  16          2HO*        A  16  24.750 -11.920   6.844
  150    H1*    A  16           H1*        A  16  25.035 -12.906   9.185
  151    H8     A  16           H8         A  16  28.024 -11.682  11.057
  152   1H6     A  16          1H6         A  16  26.219 -11.345  15.377
  153   2H6     A  16          2H6         A  16  24.589 -11.140  16.037
  154    H2     A  16           H2         A  16  21.790 -11.254  12.564
  155   1H5*    C  17          1H5*        C  17  24.386  -9.375   6.653
  156   2H5*    C  17          2H5*        C  17  23.513  -7.946   6.078
  157    H4*    C  17           H4*        C  17  22.526  -8.829   8.130
  158    H3*    C  17           H3*        C  17  23.925  -6.175   8.349
  159    H2*    C  17           H2*        C  17  23.381  -6.082  10.635
  160   2HO*    C  17          2HO*        C  17  21.596  -7.371  11.439
  161    H1*    C  17           H1*        C  17  22.900  -8.755  10.842
  162   1H4     C  17          1H4         C  17  27.764  -8.644  14.987
  163   2H4     C  17          2H4         C  17  26.321  -8.285  15.857
  164    H5     C  17           H5         C  17  27.853  -8.572  12.302
  165    H6     C  17           H6         C  17  26.390  -8.495  10.427
  166   1H5*    U  18          1H5*        U  18  21.401  -1.958   8.355
  167   2H5*    U  18          2H5*        U  18  22.884  -2.864   8.436
  168    H4*    U  18           H4*        U  18  20.668  -2.587  10.497
  169    H3*    U  18           H3*        U  18  23.494  -1.916  10.942
  170    H2*    U  18           H2*        U  18  22.813  -1.263  12.931
  171   2HO*    U  18          2HO*        U  18  20.261  -1.465  11.833
  172    H1*    U  18           H1*        U  18  21.325  -3.534  13.235
  173    H3     U  18           H3         U  18  24.364  -4.500  16.359
  174    H5     U  18           H5         U  18  26.130  -5.174  12.608
  175    H6     U  18           H6         U  18  24.413  -3.975  11.688
  176   1H5*    U  19          1H5*        U  19  17.884  -1.428  10.458
  177   2H5*    U  19          2H5*        U  19  17.642   0.265  10.592
  178    H4*    U  19           H4*        U  19  16.626  -1.531  12.506
  179    H3*    U  19           H3*        U  19  16.562   1.222  12.794
  180    H2*    U  19           H2*        U  19  19.030   1.222  13.905
  181   2HO*    U  19          2HO*        U  19  16.715   1.304  15.586
  182    H1*    U  19           H1*        U  19  17.682  -0.991  15.414
  183    H3     U  19           H3         U  19  20.997  -1.481  18.406
  184    H5     U  19           H5         U  19  23.004  -0.266  14.886
  185    H6     U  19           H6         U  19  20.931  -0.156  13.803
  186   1H5*    A  20          1H5*        A  20  13.533  -0.786  10.828
  187   2H5*    A  20          2H5*        A  20  12.643  -1.897  11.889
  188    H4*    A  20           H4*        A  20  13.959  -2.570   9.461
  189    H3*    A  20           H3*        A  20  12.963  -4.243  11.823
  190    H2*    A  20           H2*        A  20  13.893  -6.136  11.064
  191   2HO*    A  20          2HO*        A  20  14.276  -6.530   8.960
  192    H1*    A  20           H1*        A  20  16.144  -4.979   9.906
  193    H8     A  20           H8         A  20  14.376  -5.830  13.204
  194   1H6     A  20          1H6         A  20  18.249  -6.104  16.077
  195   2H6     A  20          2H6         A  20  19.952  -5.816  15.811
  196    H2     A  20           H2         A  20  20.354  -4.596  11.464
  197   1H5*    A  21          1H5*        A  21  10.886  -8.065  10.641
  198   2H5*    A  21          2H5*        A  21  12.180  -7.392  11.643
  199    H4*    A  21           H4*        A  21  12.611  -9.488   9.406
  200    H3*    A  21           H3*        A  21  11.925  -9.786  12.297
  201    H2*    A  21           H2*        A  21  13.988 -10.546  13.012
  202   2HO*    A  21          2HO*        A  21  14.357 -12.052  10.688
  203    H1*    A  21           H1*        A  21  15.448 -10.576  10.634
  204    H8     A  21           H8         A  21  14.752  -8.568  13.838
  205   1H6     A  21          1H6         A  21  19.450  -7.508  14.711
  206   2H6     A  21          2H6         A  21  20.887  -7.698  13.732
  207    H2     A  21           H2         A  21  19.687  -9.743   9.979
  208   1H5*    A  22          1H5*        A  22  12.894 -14.786   8.614
  209   2H5*    A  22          2H5*        A  22  14.369 -14.811   9.565
  210    H4*    A  22           H4*        A  22  13.753 -12.831   7.290
  211    H3*    A  22           H3*        A  22  15.492 -15.286   7.682
  212    H2*    A  22           H2*        A  22  17.374 -14.313   6.973
  213   2HO*    A  22          2HO*        A  22  17.319 -12.793   5.190
  214    H1*    A  22           H1*        A  22  16.484 -11.571   6.906
  215    H8     A  22           H8         A  22  17.298 -12.959  10.306
  216   1H6     A  22          1H6         A  22  23.087 -11.225   9.152
  217   2H6     A  22          2H6         A  22  22.033 -11.916  10.363
  218    H2     A  22           H2         A  22  20.783 -10.562   5.580
  219   1H5*    A  23          1H5*        A  23  16.747 -14.904   4.483
  220   2H5*    A  23          2H5*        A  23  16.504 -16.236   3.336
  221    H4*    A  23           H4*        A  23  18.788 -16.083   3.275
  222    H3*    A  23           H3*        A  23  18.406 -17.773   5.822
  223    H2*    A  23           H2*        A  23  20.982 -18.050   5.704
  224   2HO*    A  23          2HO*        A  23  20.411 -17.610   3.188
  225    H1*    A  23           H1*        A  23  21.257 -15.325   5.159
  226    H8     A  23           H8         A  23  18.542 -15.942   7.884
  227   1H6     A  23          1H6         A  23  21.389 -14.658  11.682
  228   2H6     A  23          2H6         A  23  23.005 -14.075  11.724
  229    H2     A  23           H2         A  23  24.719 -14.440   7.570
  230   1H5*    A  24          1H5*        A  24  22.040 -21.303   3.669
  231   2H5*    A  24          2H5*        A  24  21.058 -22.195   4.842
  232    H4*    A  24           H4*        A  24  23.551 -21.943   5.482
  233    H3*    A  24           H3*        A  24  21.363 -21.666   7.355
  234    H2*    A  24           H2*        A  24  22.535 -20.275   8.634
  235   2HO*    A  24          2HO*        A  24  24.413 -21.053   9.550
  236    H1*    A  24           H1*        A  24  25.014 -20.384   6.940
  237    H8     A  24           H8         A  24  22.483 -18.086   8.840
  238   1H6     A  24          1H6         A  24  27.448 -14.603   9.788
  239   2H6     A  24          2H6         A  24  25.818 -14.945  10.320
  240    H2     A  24           H2         A  24  28.336 -17.367   6.423
  241   1H5*    C  25          1H5*        C  25  20.609 -24.325   8.933
  242   2H5*    C  25          2H5*        C  25  22.278 -23.814   9.135
  243    H4*    C  25           H4*        C  25  21.344 -25.157  10.996
  244    H3*    C  25           H3*        C  25  23.561 -26.417   9.370
  245    H2*    C  25           H2*        C  25  23.500 -28.117  11.000
  246   2HO*    C  25          2HO*        C  25  23.523 -26.611  12.753
  247    H1*    C  25           H1*        C  25  20.790 -28.054  11.478
  248   1H4     C  25          1H4         C  25  21.705 -33.362   8.078
  249   2H4     C  25          2H4         C  25  22.056 -32.413   6.650
  250    H5     C  25           H5         C  25  22.026 -29.989   6.637
  251    H6     C  25           H6         C  25  22.045 -28.007   8.060
  252   1H5*    A  26          1H5*        A  26  28.066 -25.309  10.602
  253   2H5*    A  26          2H5*        A  26  27.377 -23.813  11.138
  254    H4*    A  26           H4*        A  26  28.367 -24.467   8.349
  255    H3*    A  26           H3*        A  26  29.541 -23.161  10.721
  256    H2*    A  26           H2*        A  26  30.066 -21.151   9.767
  257   2HO*    A  26          2HO*        A  26  31.372 -21.813   8.147
  258    H1*    A  26           H1*        A  26  28.242 -20.906   7.742
  259    H8     A  26           H8         A  26  26.183 -21.654  10.708
  260   1H6     A  26          1H6         A  26  27.526 -16.064  13.015
  261   2H6     A  26          2H6         A  26  26.533 -17.483  13.238
  262    H2     A  26           H2         A  26  30.116 -16.775   9.422
  263   1H5*    C  27          1H5*        C  27  32.874 -22.793   8.764
  264   2H5*    C  27          2H5*        C  27  34.314 -23.708   9.242
  265    H4*    C  27           H4*        C  27  34.842 -21.301   9.312
  266    H3*    C  27           H3*        C  27  34.397 -22.009  12.180
  267    H2*    C  27           H2*        C  27  34.951 -19.793  12.618
  268   2HO*    C  27          2HO*        C  27  36.919 -19.766  11.593
  269    H1*    C  27           H1*        C  27  34.142 -18.856   9.991
  270   1H4     C  27          1H4         C  27  29.443 -16.569  13.864
  271   2H4     C  27          2H4         C  27  30.619 -15.300  13.727
  272    H5     C  27           H5         C  27  29.920 -18.717  13.381
  273    H6     C  27           H6         C  27  31.222 -20.218  11.828
  274   1H5*    C  28          1H5*        C  28  38.715 -22.305  14.745
  275   2H5*    C  28          2H5*        C  28  37.088 -21.782  15.211
  276    H4*    C  28           H4*        C  28  39.570 -20.063  14.829
  277    H3*    C  28           H3*        C  28  38.011 -21.130  17.101
  278    H2*    C  28           H2*        C  28  37.489 -19.178  18.154
  279   2HO*    C  28          2HO*        C  28  39.390 -18.274  18.555
  280    H1*    C  28           H1*        C  28  37.402 -17.315  16.110
  281   1H4     C  28          1H4         C  28  31.638 -20.466  17.196
  282   2H4     C  28          2H4         C  28  31.679 -19.157  18.354
  283    H5     C  28           H5         C  28  33.348 -20.981  15.721
  284    H6     C  28           H6         C  28  35.528 -20.223  14.696
  285   1H5*    G  29          1H5*        G  29  40.960 -19.734  19.379
  286   2H5*    G  29          2H5*        G  29  41.852 -20.809  20.469
  287    H4*    G  29           H4*        G  29  40.609 -18.989  21.640
  288    H3*    G  29           H3*        G  29  39.301 -21.682  22.167
  289    H2*    G  29           H2*        G  29  37.812 -20.575  23.614
  290   2HO*    G  29          2HO*        G  29  38.167 -18.428  24.274
  291    H1*    G  29           H1*        G  29  37.518 -18.286  21.980
  292    H8     G  29           H8         G  29  37.166 -20.998  19.398
  293    H1     G  29           H1         G  29  31.644 -19.180  22.151
  294   1H2     G  29          1H2         G  29  33.875 -17.885  24.754
  295   2H2     G  29          2H2         G  29  32.224 -18.075  24.205
  296   1H5*    G  30          1H5*        G  30  40.029 -20.542  25.612
  297   2H5*    G  30          2H5*        G  30  40.123 -21.631  27.006
  298    H4*    G  30           H4*        G  30  37.926 -20.384  26.563
  299    H3*    G  30           H3*        G  30  37.948 -23.414  26.719
  300    H2*    G  30           H2*        G  30  35.673 -23.437  26.298
  301   2HO*    G  30          2HO*        G  30  34.340 -21.639  26.908
  302    H1*    G  30           H1*        G  30  35.676 -20.703  25.264
  303    H8     G  30           H8         G  30  36.904 -22.516  22.191
  304    H1     G  30           H1         G  30  30.547 -22.486  22.895
  305   1H2     G  30          1H2         G  30  31.156 -21.780  26.270
  306   2H2     G  30          2H2         G  30  29.982 -22.042  24.999
  Start of MODEL   18
    1   1H5*    A   3          1H5*        A   3  25.569  -3.336  25.832
    2   2H5*    A   3          2H5*        A   3  24.104  -2.775  26.611
    3    H4*    A   3           H4*        A   3  23.687  -1.679  24.749
    4    H3*    A   3           H3*        A   3  22.938  -4.424  23.527
    5    H2*    A   3           H2*        A   3  22.357  -3.294  21.559
    6   2HO*    A   3          2HO*        A   3  22.047  -1.136  23.244
    7    H1*    A   3           H1*        A   3  24.749  -1.644  21.630
    8    H8     A   3           H8         A   3  26.196  -4.601  22.234
    9   1H6     A   3          1H6         A   3  27.262  -5.733  17.679
   10   2H6     A   3          2H6         A   3  26.562  -5.254  16.122
   11    H2     A   3           H2         A   3  23.163  -2.465  17.101
   12   1H5*    G   4          1H5*        G   4  20.051  -3.257  22.837
   13   2H5*    G   4          2H5*        G   4  18.417  -3.870  23.132
   14    H4*    G   4           H4*        G   4  18.706  -3.788  20.809
   15    H3*    G   4           H3*        G   4  19.860  -6.721  21.144
   16    H2*    G   4           H2*        G   4  19.865  -6.756  18.716
   17   2HO*    G   4          2HO*        G   4  18.977  -5.050  17.546
   18    H1*    G   4           H1*        G   4  20.868  -4.265  18.551
   19    H8     G   4           H8         G   4  22.996  -5.714  21.135
   20    H1     G   4           H1         G   4  24.189  -7.233  14.988
   21   1H2     G   4          1H2         G   4  20.752  -6.130  14.811
   22   2H2     G   4          2H2         G   4  22.128  -6.747  13.939
   23   1H5*    U   5          1H5*        U   5  15.670  -8.261  19.509
   24   2H5*    U   5          2H5*        U   5  15.639  -9.929  19.958
   25    H4*    U   5           H4*        U   5  15.591  -9.194  17.395
   26    H3*    U   5           H3*        U   5  17.774 -11.311  18.018
   27    H2*    U   5           H2*        U   5  18.053 -11.403  15.702
   28   2HO*    U   5          2HO*        U   5  16.759 -10.330  14.261
   29    H1*    U   5           H1*        U   5  18.281  -8.827  15.374
   30    H3     U   5           H3         U   5  22.457 -10.137  15.129
   31    H5     U   5           H5         U   5  21.856  -8.835  19.083
   32    H6     U   5           H6         U   5  19.418  -8.910  18.661
   33   1H5*    G   6          1H5*        G   6  15.737 -12.897  15.511
   34   2H5*    G   6          2H5*        G   6  15.142 -14.572  15.432
   35    H4*    G   6           H4*        G   6  16.687 -14.110  13.650
   36    H3*    G   6           H3*        G   6  17.770 -15.887  15.814
   37    H2*    G   6           H2*        G   6  19.720 -16.215  14.496
   38   2HO*    G   6          2HO*        G   6  17.948 -15.631  12.463
   39    H1*    G   6           H1*        G   6  19.768 -13.700  13.440
   40    H8     G   6           H8         G   6  19.590 -13.145  17.180
   41    H1     G   6           H1         G   6  25.472 -13.471  14.660
   42   1H2     G   6          1H2         G   6  23.820 -15.031  11.940
   43   2H2     G   6          2H2         G   6  25.332 -14.458  12.612
   44   1H5*    G   7          1H5*        G   7  19.286 -20.226  14.649
   45   2H5*    G   7          2H5*        G   7  19.042 -19.010  15.932
   46    H4*    G   7           H4*        G   7  20.930 -18.468  13.636
   47    H3*    G   7           H3*        G   7  21.266 -20.556  15.729
   48    H2*    G   7           H2*        G   7  23.064 -19.654  16.625
   49   2HO*    G   7          2HO*        G   7  23.844 -19.747  13.990
   50    H1*    G   7           H1*        G   7  23.133 -17.331  14.985
   51    H8     G   7           H8         G   7  21.208 -16.442  18.006
   52    H1     G   7           H1         G   7  27.488 -14.970  18.096
   53   1H2     G   7          1H2         G   7  27.579 -17.429  15.495
   54   2H2     G   7          2H2         G   7  28.459 -16.284  16.483
   55   1H5*   CH   8          1H5*       CH   8  24.352 -24.366  14.319
   56   2H5*   CH   8          2H5*       CH   8  23.889 -23.388  15.759
   57    H4*   CH   8           H4*       CH   8  26.536 -23.128  14.136
   58    H3*   CH   8           H3*       CH   8  25.921 -23.500  17.262
   59    H2*   CH   8           H2*       CH   8  28.211 -22.706  17.435
   60   2HO*   CH   8          2HO*       CH   8  29.448 -22.292  15.388
   61    H1*   CH   8           H1*       CH   8  28.075 -21.168  15.374
   62    HN3   CH   8           HN3       CH   8  29.639 -18.527  18.525
   63   1H4    CH   8          1H4        CH   8  27.011 -17.105  20.321
   64   2H4    CH   8          2H4        CH   8  28.704 -16.932  20.115
   65    H5    CH   8           H5        CH   8  25.551 -18.777  19.475
   66    H6    CH   8           H6        CH   8  25.321 -20.535  17.716
   67   1H5*    G   9          1H5*        G   9  23.113 -26.512  17.516
   68   2H5*    G   9          2H5*        G   9  23.082 -25.514  16.045
   69    H4*    G   9           H4*        G   9  22.051 -23.711  17.248
   70    H3*    G   9           H3*        G   9  23.662 -24.331  19.366
   71    H2*    G   9           H2*        G   9  22.557 -26.302  19.727
   72   2HO*    G   9          2HO*        G   9  21.189 -25.862  21.725
   73    H1*    G   9           H1*        G   9  19.952 -24.766  19.524
   74    H8     G   9           H8         G   9  19.975 -27.769  17.556
   75    H1     G   9           H1         G   9  18.152 -29.264  23.479
   76   1H2     G   9          1H2         G   9  18.616 -27.591  24.864
   77   2H2     G   9          2H2         G   9  19.368 -26.106  24.321
   78   1H5*    C  10          1H5*        C  10  23.741 -22.950  21.079
   79   2H5*    C  10          2H5*        C  10  23.202 -24.462  21.906
   80    H4*    C  10           H4*        C  10  23.844 -23.261  24.099
   81    H3*    C  10           H3*        C  10  25.776 -21.721  22.275
   82    H2*    C  10           H2*        C  10  27.210 -21.684  23.992
   83   2HO*    C  10          2HO*        C  10  26.707 -22.293  26.014
   84    H1*    C  10           H1*        C  10  27.022 -24.352  24.346
   85   1H4     C  10          1H4         C  10  30.618 -25.075  19.078
   86   2H4     C  10          2H4         C  10  31.752 -24.400  20.246
   87    H5     C  10           H5         C  10  28.198 -25.050  19.406
   88    H6     C  10           H6         C  10  26.491 -24.804  20.937
   89   1H5*    C  11          1H5*        C  11  24.398 -19.100  25.221
   90   2H5*    C  11          2H5*        C  11  24.349 -17.330  25.307
   91    H4*    C  11           H4*        C  11  26.592 -18.370  25.977
   92    H3*    C  11           H3*        C  11  26.471 -16.381  23.696
   93    H2*    C  11           H2*        C  11  28.769 -16.647  23.346
   94   2HO*    C  11          2HO*        C  11  30.141 -17.385  25.080
   95    H1*    C  11           H1*        C  11  28.877 -19.235  24.623
   96   1H4     C  11          1H4         C  11  30.071 -21.654  18.981
   97   2H4     C  11          2H4         C  11  31.573 -21.165  19.610
   98    H5     C  11           H5         C  11  27.871 -20.936  19.921
   99    H6     C  11           H6         C  11  26.964 -19.572  21.592
  100   1H5*    G  12          1H5*        G  12  26.244 -11.521  25.357
  101   2H5*    G  12          2H5*        G  12  26.512 -12.855  24.159
  102    H4*    G  12           H4*        G  12  28.633 -11.597  26.100
  103    H3*    G  12           H3*        G  12  28.330 -10.415  23.267
  104    H2*    G  12           H2*        G  12  30.287 -11.086  22.514
  105   2HO*    G  12          2HO*        G  12  31.036 -10.470  25.079
  106    H1*    G  12           H1*        G  12  31.123 -13.059  23.992
  107    H8     G  12           H8         G  12  27.780 -14.165  22.920
  108    H1     G  12           H1         G  12  32.596 -16.392  19.591
  109   1H2     G  12          1H2         G  12  34.608 -13.975  21.192
  110   2H2     G  12          2H2         G  12  34.550 -15.322  20.059
  111   1H5*    A  13          1H5*        A  13  32.190  -7.273  22.487
  112   2H5*    A  13          2H5*        A  13  31.329  -8.255  21.296
  113    H4*    A  13           H4*        A  13  33.668  -8.442  20.731
  114    H3*    A  13           H3*        A  13  32.393 -10.834  21.927
  115    H2*    A  13           H2*        A  13  34.069 -11.279  23.318
  116   2HO*    A  13          2HO*        A  13  36.096 -11.946  21.856
  117    H1*    A  13           H1*        A  13  35.786  -9.547  21.502
  118    H8     A  13           H8         A  13  35.552  -8.789  25.172
  119   1H6     A  13          1H6         A  13  41.027 -11.464  25.993
  120   2H6     A  13          2H6         A  13  39.797 -10.452  26.717
  121    H2     A  13           H2         A  13  39.632 -12.409  21.821
  122   1H5*    C  14          1H5*        C  14  35.224 -13.051  19.381
  123   2H5*    C  14          2H5*        C  14  36.452 -12.724  18.159
  124    H4*    C  14           H4*        C  14  35.634 -14.681  17.297
  125    H3*    C  14           H3*        C  14  33.763 -12.551  16.280
  126    H2*    C  14           H2*        C  14  32.172 -14.236  15.516
  127   2HO*    C  14          2HO*        C  14  32.790 -16.359  15.304
  128    H1*    C  14           H1*        C  14  32.477 -15.966  17.443
  129   1H4     C  14          1H4         C  14  28.346 -12.335  20.704
  130   2H4     C  14          2H4         C  14  27.408 -13.464  19.767
  131    H5     C  14           H5         C  14  30.784 -12.018  20.314
  132    H6     C  14           H6         C  14  32.664 -12.782  18.937
  133   1H5*    C  15          1H5*        C  15  34.379 -13.751  11.431
  134   2H5*    C  15          2H5*        C  15  33.598 -12.220  11.046
  135    H4*    C  15           H4*        C  15  32.614 -14.774  10.573
  136    H3*    C  15           H3*        C  15  31.036 -12.214  10.775
  137    H2*    C  15           H2*        C  15  29.189 -13.442  10.165
  138   2HO*    C  15          2HO*        C  15  29.421 -15.258   9.182
  139    H1*    C  15           H1*        C  15  29.598 -15.582  11.900
  140   1H4     C  15          1H4         C  15  28.021 -11.822  16.963
  141   2H4     C  15          2H4         C  15  26.465 -12.397  16.434
  142    H5     C  15           H5         C  15  29.944 -12.082  15.925
  143    H6     C  15           H6         C  15  31.119 -12.865  13.941
  144   1H5*    A  16          1H5*        A  16  29.210 -13.446   7.312
  145   2H5*    A  16          2H5*        A  16  28.853 -12.027   6.467
  146    H4*    A  16           H4*        A  16  26.826 -13.333   7.030
  147    H3*    A  16           H3*        A  16  27.012 -10.547   8.194
  148    H2*    A  16           H2*        A  16  24.761 -11.051   9.260
  149   2HO*    A  16          2HO*        A  16  23.520 -12.699   8.510
  150    H1*    A  16           H1*        A  16  25.186 -13.471   9.786
  151    H8     A  16           H8         A  16  28.251 -11.701  11.129
  152   1H6     A  16          1H6         A  16  26.470 -10.283  15.301
  153   2H6     A  16          2H6         A  16  24.838 -10.007  15.931
  154    H2     A  16           H2         A  16  22.025 -11.150  12.627
  155   1H5*    C  17          1H5*        C  17  24.004 -10.159   6.451
  156   2H5*    C  17          2H5*        C  17  23.509  -8.714   5.555
  157    H4*    C  17           H4*        C  17  22.149  -8.974   7.566
  158    H3*    C  17           H3*        C  17  24.148  -6.715   7.714
  159    H2*    C  17           H2*        C  17  23.155  -6.065   9.760
  160   2HO*    C  17          2HO*        C  17  20.961  -7.342   8.630
  161    H1*    C  17           H1*        C  17  22.443  -8.618  10.475
  162   1H4     C  17          1H4         C  17  27.606  -8.495  14.266
  163   2H4     C  17          2H4         C  17  26.266  -7.881  15.161
  164    H5     C  17           H5         C  17  27.515  -8.783  11.605
  165    H6     C  17           H6         C  17  25.977  -8.782   9.822
  166   1H5*    U  18          1H5*        U  18  20.555  -2.231   7.654
  167   2H5*    U  18          2H5*        U  18  22.310  -2.369   7.696
  168    H4*    U  18           H4*        U  18  20.350  -3.201   9.873
  169    H3*    U  18           H3*        U  18  21.540  -0.632   9.447
  170    H2*    U  18           H2*        U  18  23.248  -0.978  11.296
  171   2HO*    U  18          2HO*        U  18  21.800  -1.571  13.278
  172    H1*    U  18           H1*        U  18  21.606  -3.086  12.222
  173    H3     U  18           H3         U  18  24.734  -3.828  15.257
  174    H5     U  18           H5         U  18  26.158  -5.142  11.528
  175    H6     U  18           H6         U  18  24.541  -3.852  10.499
  176   1H5*    U  19          1H5*        U  19  17.578  -1.802  10.993
  177   2H5*    U  19          2H5*        U  19  16.233  -0.724  10.554
  178    H4*    U  19           H4*        U  19  15.755  -1.679  12.829
  179    H3*    U  19           H3*        U  19  15.612   1.108  12.512
  180    H2*    U  19           H2*        U  19  18.140   1.339  13.310
  181   2HO*    U  19          2HO*        U  19  16.340   1.699  15.535
  182    H1*    U  19           H1*        U  19  16.991  -0.384  15.459
  183    H3     U  19           H3         U  19  20.509   0.115  18.209
  184    H5     U  19           H5         U  19  22.299   0.224  14.382
  185    H6     U  19           H6         U  19  20.139  -0.046  13.432
  186   1H5*    A  20          1H5*        A  20  13.231  -1.305  11.279
  187   2H5*    A  20          2H5*        A  20  11.885  -2.027  12.190
  188    H4*    A  20           H4*        A  20  13.089  -3.656  10.608
  189    H3*    A  20           H3*        A  20  12.937  -4.099  13.608
  190    H2*    A  20           H2*        A  20  14.185  -5.923  13.597
  191   2HO*    A  20          2HO*        A  20  14.532  -7.099  11.531
  192    H1*    A  20           H1*        A  20  15.755  -5.340  11.293
  193    H8     A  20           H8         A  20  15.045  -4.452  14.992
  194   1H6     A  20          1H6         A  20  19.540  -4.265  16.604
  195   2H6     A  20          2H6         A  20  21.099  -4.326  15.823
  196    H2     A  20           H2         A  20  20.389  -4.846  11.475
  197   1H5*    A  21          1H5*        A  21  12.251  -7.274   8.751
  198   2H5*    A  21          2H5*        A  21  10.713  -8.011   9.227
  199    H4*    A  21           H4*        A  21  12.376  -9.746   8.760
  200    H3*    A  21           H3*        A  21  11.371  -9.400  11.579
  201    H2*    A  21           H2*        A  21  13.107 -10.467  12.561
  202   2HO*    A  21          2HO*        A  21  13.532 -12.155  10.383
  203    H1*    A  21           H1*        A  21  14.898 -10.812  10.474
  204    H8     A  21           H8         A  21  14.672  -9.621  13.855
  205   1H6     A  21          1H6         A  21  18.914  -7.268  14.137
  206   2H6     A  21          2H6         A  21  20.035  -6.722  12.916
  207    H2     A  21           H2         A  21  18.380  -7.904   8.928
  208   1H5*    A  22          1H5*        A  22  11.803 -14.907   8.441
  209   2H5*    A  22          2H5*        A  22  13.243 -14.963   9.456
  210    H4*    A  22           H4*        A  22  12.859 -13.210   6.958
  211    H3*    A  22           H3*        A  22  14.563 -15.557   7.795
  212    H2*    A  22           H2*        A  22  16.512 -14.622   7.230
  213   2HO*    A  22          2HO*        A  22  16.638 -13.240   5.313
  214    H1*    A  22           H1*        A  22  15.608 -11.901   6.757
  215    H8     A  22           H8         A  22  15.989 -12.925  10.395
  216   1H6     A  22          1H6         A  22  21.888 -11.206   9.936
  217   2H6     A  22          2H6         A  22  20.681 -11.859  11.021
  218    H2     A  22           H2         A  22  20.142 -10.911   6.014
  219   1H5*    A  23          1H5*        A  23  16.185 -15.239   4.687
  220   2H5*    A  23          2H5*        A  23  16.423 -16.692   3.706
  221    H4*    A  23           H4*        A  23  18.593 -15.990   4.185
  222    H3*    A  23           H3*        A  23  17.939 -17.838   6.575
  223    H2*    A  23           H2*        A  23  20.390 -17.566   7.157
  224   2HO*    A  23          2HO*        A  23  21.145 -17.810   5.176
  225    H1*    A  23           H1*        A  23  20.418 -14.959   6.091
  226    H8     A  23           H8         A  23  17.856 -14.766   8.967
  227   1H6     A  23          1H6         A  23  21.060 -13.120  12.106
  228   2H6     A  23          2H6         A  23  22.802 -13.128  12.164
  229    H2     A  23           H2         A  23  24.195 -14.781   8.216
  230   1H5*    A  24          1H5*        A  24  23.591 -18.916   5.687
  231   2H5*    A  24          2H5*        A  24  22.780 -18.568   4.164
  232    H4*    A  24           H4*        A  24  22.721 -20.680   3.545
  233    H3*    A  24           H3*        A  24  21.841 -21.303   6.060
  234    H2*    A  24           H2*        A  24  23.640 -22.278   7.307
  235   2HO*    A  24          2HO*        A  24  24.757 -23.947   6.534
  236    H1*    A  24           H1*        A  24  25.881 -21.779   5.787
  237    H8     A  24           H8         A  24  23.166 -20.246   7.998
  238   1H6     A  24          1H6         A  24  27.262 -16.165  10.004
  239   2H6     A  24          2H6         A  24  25.694 -16.884  10.269
  240    H2     A  24           H2         A  24  28.968 -18.152   6.331
  241   1H5*    C  25          1H5*        C  25  20.373 -23.939   7.114
  242   2H5*    C  25          2H5*        C  25  21.546 -22.813   7.811
  243    H4*    C  25           H4*        C  25  20.932 -24.065   9.677
  244    H3*    C  25           H3*        C  25  23.115 -25.695   8.345
  245    H2*    C  25           H2*        C  25  22.909 -27.132  10.201
  246   2HO*    C  25          2HO*        C  25  22.886 -25.233  11.654
  247    H1*    C  25           H1*        C  25  20.183 -26.817  10.534
  248   1H4     C  25          1H4         C  25  21.380 -31.956   6.539
  249   2H4     C  25          2H4         C  25  21.000 -32.638   8.105
  250    H5     C  25           H5         C  25  21.480 -29.561   6.133
  251    H6     C  25           H6         C  25  21.503 -27.364   7.217
  252   1H5*    A  26          1H5*        A  26  27.193 -24.879  11.860
  253   2H5*    A  26          2H5*        A  26  27.307 -23.123  12.073
  254    H4*    A  26           H4*        A  26  28.082 -24.799   9.685
  255    H3*    A  26           H3*        A  26  29.470 -23.304  11.710
  256    H2*    A  26           H2*        A  26  30.070 -21.366  10.682
  257   2HO*    A  26          2HO*        A  26  31.509 -21.775   9.221
  258    H1*    A  26           H1*        A  26  28.531 -21.218   8.369
  259    H8     A  26           H8         A  26  25.844 -21.464  10.629
  260   1H6     A  26          1H6         A  26  26.342 -17.404  13.449
  261   2H6     A  26          2H6         A  26  27.565 -16.162  13.428
  262    H2     A  26           H2         A  26  30.803 -17.469  10.614
  263   1H5*    C  27          1H5*        C  27  32.970 -23.270   9.945
  264   2H5*    C  27          2H5*        C  27  34.245 -24.115  10.838
  265    H4*    C  27           H4*        C  27  34.791 -21.700  10.668
  266    H3*    C  27           H3*        C  27  33.788 -22.002  13.471
  267    H2*    C  27           H2*        C  27  34.621 -19.791  13.681
  268   2HO*    C  27          2HO*        C  27  36.611 -19.996  12.809
  269    H1*    C  27           H1*        C  27  34.011 -19.183  10.947
  270   1H4     C  27          1H4         C  27  29.270 -16.300  14.455
  271   2H4     C  27          2H4         C  27  30.475 -15.091  14.083
  272    H5     C  27           H5         C  27  29.650 -18.550  14.232
  273    H6     C  27           H6         C  27  30.938 -20.305  12.891
  274   1H5*    C  28          1H5*        C  28  38.354 -19.867  13.507
  275   2H5*    C  28          2H5*        C  28  38.832 -20.910  14.856
  276    H4*    C  28           H4*        C  28  39.213 -18.344  15.088
  277    H3*    C  28           H3*        C  28  37.872 -20.113  17.078
  278    H2*    C  28           H2*        C  28  37.504 -18.393  18.569
  279   2HO*    C  28          2HO*        C  28  39.398 -17.339  18.712
  280    H1*    C  28           H1*        C  28  36.886 -16.380  16.672
  281   1H4     C  28          1H4         C  28  31.443 -19.833  18.260
  282   2H4     C  28          2H4         C  28  31.415 -18.382  19.262
  283    H5     C  28           H5         C  28  33.213 -20.437  16.907
  284    H6     C  28           H6         C  28  35.341 -19.694  15.759
  285   1H5*    G  29          1H5*        G  29  41.926 -19.484  18.865
  286   2H5*    G  29          2H5*        G  29  42.678 -20.726  19.875
  287    H4*    G  29           H4*        G  29  41.396 -18.801  21.044
  288    H3*    G  29           H3*        G  29  40.208 -21.548  21.638
  289    H2*    G  29           H2*        G  29  38.691 -20.456  23.073
  290   2HO*    G  29          2HO*        G  29  38.882 -18.234  23.524
  291    H1*    G  29           H1*        G  29  38.141 -18.403  21.219
  292    H8     G  29           H8         G  29  38.467 -21.431  18.967
  293    H1     G  29           H1         G  29  32.502 -20.138  21.038
  294   1H2     G  29          1H2         G  29  34.318 -18.286  23.632
  295   2H2     G  29          2H2         G  29  32.759 -18.758  22.996
  296   1H5*    G  30          1H5*        G  30  40.809 -19.896  24.837
  297   2H5*    G  30          2H5*        G  30  41.085 -20.503  26.480
  298    H4*    G  30           H4*        G  30  38.783 -19.626  26.056
  299    H3*    G  30           H3*        G  30  39.031 -22.590  26.619
  300    H2*    G  30           H2*        G  30  36.719 -22.828  26.388
  301   2HO*    G  30          2HO*        G  30  36.754 -20.407  27.646
  302    H1*    G  30           H1*        G  30  36.412 -20.418  24.833
  303    H8     G  30           H8         G  30  38.123 -22.642  22.284
  304    H1     G  30           H1         G  30  31.777 -23.352  22.497
  305   1H2     G  30          1H2         G  30  31.937 -21.867  25.663
  306   2H2     G  30          2H2         G  30  30.939 -22.558  24.401
  Start of MODEL   19
    1   1H5*    A   3          1H5*        A   3  26.325  -0.517  25.073
    2   2H5*    A   3          2H5*        A   3  25.720  -1.701  26.283
    3    H4*    A   3           H4*        A   3  23.844  -0.753  24.917
    4    H3*    A   3           H3*        A   3  24.545  -3.735  24.104
    5    H2*    A   3           H2*        A   3  22.808  -3.674  22.593
    6   2HO*    A   3          2HO*        A   3  22.136  -1.431  24.121
    7    H1*    A   3           H1*        A   3  22.737  -1.621  21.811
    8    H8     A   3           H8         A   3  26.578  -2.784  21.812
    9   1H6     A   3          1H6         A   3  27.310  -3.469  17.338
   10   2H6     A   3          2H6         A   3  26.335  -3.499  15.863
   11    H2     A   3           H2         A   3  22.151  -2.493  17.247
   12   1H5*    G   4          1H5*        G   4  20.711  -3.279  23.189
   13   2H5*    G   4          2H5*        G   4  19.575  -4.436  23.871
   14    H4*    G   4           H4*        G   4  19.344  -4.120  21.389
   15    H3*    G   4           H3*        G   4  20.829  -6.933  21.500
   16    H2*    G   4           H2*        G   4  20.526  -7.010  19.126
   17   2HO*    G   4          2HO*        G   4  19.333  -5.345  18.078
   18    H1*    G   4           H1*        G   4  21.249  -4.466  18.736
   19    H8     G   4           H8         G   4  23.776  -5.505  21.196
   20    H1     G   4           H1         G   4  24.741  -6.692  14.951
   21   1H2     G   4          1H2         G   4  21.205  -6.163  14.932
   22   2H2     G   4          2H2         G   4  22.634  -6.536  14.004
   23   1H5*    U   5          1H5*        U   5  17.296  -7.344  19.514
   24   2H5*    U   5          2H5*        U   5  16.186  -8.665  19.907
   25    H4*    U   5           H4*        U   5  16.426  -8.528  17.492
   26    H3*    U   5           H3*        U   5  18.199 -10.880  18.385
   27    H2*    U   5           H2*        U   5  18.436 -11.294  16.034
   28   2HO*    U   5          2HO*        U   5  16.274  -9.502  15.917
   29    H1*    U   5           H1*        U   5  19.002  -8.784  15.435
   30    H3     U   5           H3         U   5  23.157 -10.017  15.157
   31    H5     U   5           H5         U   5  22.565  -9.340  19.285
   32    H6     U   5           H6         U   5  20.158  -9.163  18.842
   33   1H5*    G   6          1H5*        G   6  16.505 -12.134  15.391
   34   2H5*    G   6          2H5*        G   6  15.902 -13.807  15.405
   35    H4*    G   6           H4*        G   6  17.440 -13.371  13.562
   36    H3*    G   6           H3*        G   6  18.532 -15.168  15.700
   37    H2*    G   6           H2*        G   6  20.350 -15.642  14.183
   38   2HO*    G   6          2HO*        G   6  18.474 -14.734  12.346
   39    H1*    G   6           H1*        G   6  20.551 -13.117  13.291
   40    H8     G   6           H8         G   6  20.389 -12.834  17.065
   41    H1     G   6           H1         G   6  26.297 -13.106  14.621
   42   1H2     G   6          1H2         G   6  24.743 -14.367  11.730
   43   2H2     G   6          2H2         G   6  26.230 -13.908  12.529
   44   1H5*    G   7          1H5*        G   7  19.558 -18.706  16.717
   45   2H5*    G   7          2H5*        G   7  19.566 -16.935  16.507
   46    H4*    G   7           H4*        G   7  20.301 -18.360  14.067
   47    H3*    G   7           H3*        G   7  21.786 -19.046  16.620
   48    H2*    G   7           H2*        G   7  23.880 -18.836  15.352
   49   2HO*    G   7          2HO*        G   7  22.058 -18.731  13.196
   50    H1*    G   7           H1*        G   7  23.411 -16.592  14.397
   51    H8     G   7           H8         G   7  21.415 -15.964  17.436
   52    H1     G   7           H1         G   7  27.739 -15.005  18.100
   53   1H2     G   7          1H2         G   7  27.766 -16.934  15.037
   54   2H2     G   7          2H2         G   7  28.701 -16.063  16.227
   55   1H5*   CH   8          1H5*       CH   8  22.934 -24.042  14.819
   56   2H5*   CH   8          2H5*       CH   8  22.490 -22.472  14.174
   57    H4*   CH   8           H4*       CH   8  24.968 -22.763  13.829
   58    H3*   CH   8           H3*       CH   8  25.068 -22.719  17.036
   59    H2*   CH   8           H2*       CH   8  27.489 -22.092  16.362
   60   2HO*   CH   8          2HO*       CH   8  27.995 -21.771  14.207
   61    H1*   CH   8           H1*       CH   8  26.784 -20.491  14.735
   62    HN3   CH   8           HN3       CH   8  28.957 -18.618  18.060
   63   1H4    CH   8          1H4        CH   8  28.653 -17.499  19.528
   64   2H4    CH   8          2H4        CH   8  27.257 -16.983  20.410
   65    H5    CH   8           H5        CH   8  24.916 -18.297  19.346
   66    H6    CH   8           H6        CH   8  24.297 -19.662  17.348
   67   1H5*    G   9          1H5*        G   9  27.441 -24.901  20.267
   68   2H5*    G   9          2H5*        G   9  27.216 -26.455  19.422
   69    H4*    G   9           H4*        G   9  24.676 -25.734  19.583
   70    H3*    G   9           H3*        G   9  25.954 -23.806  21.464
   71    H2*    G   9           H2*        G   9  25.144 -24.846  23.356
   72   2HO*    G   9          2HO*        G   9  23.145 -24.223  23.695
   73    H1*    G   9           H1*        G   9  23.386 -26.492  21.559
   74    H8     G   9           H8         G   9  22.742 -28.772  22.805
   75    H1     G   9           H1         G   9  26.739 -27.560  27.622
   76   1H2     G   9          1H2         G   9  27.813 -24.891  25.652
   77   2H2     G   9          2H2         G   9  27.976 -25.778  27.151
   78   1H5*    C  10          1H5*        C  10  22.043 -23.085  20.543
   79   2H5*    C  10          2H5*        C  10  21.241 -21.483  20.757
   80    H4*    C  10           H4*        C  10  21.988 -22.592  22.959
   81    H3*    C  10           H3*        C  10  23.631 -20.241  22.283
   82    H2*    C  10           H2*        C  10  23.900 -20.060  24.540
   83   2HO*    C  10          2HO*        C  10  22.639 -21.063  26.005
   84    H1*    C  10           H1*        C  10  24.366 -23.057  24.370
   85   1H4     C  10          1H4         C  10  29.440 -20.863  26.695
   86   2H4     C  10          2H4         C  10  30.253 -21.427  25.246
   87    H5     C  10           H5         C  10  27.334 -20.924  26.977
   88    H6     C  10           H6         C  10  25.098 -21.151  26.019
   89   1H5*    C  11          1H5*        C  11  22.263 -17.597  25.347
   90   2H5*    C  11          2H5*        C  11  22.463 -15.977  24.680
   91    H4*    C  11           H4*        C  11  24.043 -16.746  26.720
   92    H3*    C  11           H3*        C  11  25.483 -15.430  24.324
   93    H2*    C  11           H2*        C  11  27.548 -16.084  25.156
   94   2HO*    C  11          2HO*        C  11  26.137 -16.430  27.601
   95    H1*    C  11           H1*        C  11  26.906 -18.591  25.996
   96   1H4     C  11          1H4         C  11  27.329 -20.261  19.948
   97   2H4     C  11          2H4         C  11  28.944 -19.992  20.406
   98    H5     C  11           H5         C  11  25.415 -19.496  21.231
   99    H6     C  11           H6         C  11  24.884 -18.294  23.109
  100   1H5*    G  12          1H5*        G  12  27.507 -13.677  26.943
  101   2H5*    G  12          2H5*        G  12  27.532 -11.888  26.998
  102    H4*    G  12           H4*        G  12  29.829 -12.829  26.761
  103    H3*    G  12           H3*        G  12  28.944 -11.633  24.062
  104    H2*    G  12           H2*        G  12  30.947 -12.190  23.211
  105   2HO*    G  12          2HO*        G  12  32.688 -13.023  24.527
  106    H1*    G  12           H1*        G  12  31.351 -14.494  24.363
  107    H8     G  12           H8         G  12  27.888 -14.816  23.297
  108    H1     G  12           H1         G  12  32.415 -17.109  19.363
  109   1H2     G  12          1H2         G  12  34.682 -15.286  21.269
  110   2H2     G  12          2H2         G  12  34.428 -16.391  19.919
  111   1H5*    A  13          1H5*        A  13  32.897  -8.385  23.121
  112   2H5*    A  13          2H5*        A  13  32.052  -9.379  21.924
  113    H4*    A  13           H4*        A  13  34.405  -9.549  21.409
  114    H3*    A  13           H3*        A  13  33.025 -11.901  22.544
  115    H2*    A  13           H2*        A  13  34.680 -12.467  23.912
  116   2HO*    A  13          2HO*        A  13  35.686 -13.058  21.319
  117    H1*    A  13           H1*        A  13  36.485 -10.706  22.205
  118    H8     A  13           H8         A  13  36.087 -10.219  25.919
  119   1H6     A  13          1H6         A  13  40.325 -11.928  27.490
  120   2H6     A  13          2H6         A  13  41.623 -12.802  26.709
  121    H2     A  13           H2         A  13  40.414 -13.380  22.420
  122   1H5*    C  14          1H5*        C  14  35.526 -13.970  19.744
  123   2H5*    C  14          2H5*        C  14  36.830 -13.674  18.609
  124    H4*    C  14           H4*        C  14  35.848 -15.477  17.609
  125    H3*    C  14           H3*        C  14  34.578 -13.033  16.452
  126    H2*    C  14           H2*        C  14  32.576 -14.113  15.836
  127   2HO*    C  14          2HO*        C  14  34.250 -16.032  15.169
  128    H1*    C  14           H1*        C  14  32.589 -16.228  17.363
  129   1H4     C  14          1H4         C  14  28.656 -12.933  21.128
  130   2H4     C  14          2H4         C  14  27.651 -13.777  19.971
  131    H5     C  14           H5         C  14  31.129 -12.769  20.872
  132    H6     C  14           H6         C  14  33.006 -13.448  19.448
  133   1H5*    C  15          1H5*        C  15  34.974 -15.147  11.995
  134   2H5*    C  15          2H5*        C  15  34.897 -13.535  11.264
  135    H4*    C  15           H4*        C  15  33.036 -15.479  10.887
  136    H3*    C  15           H3*        C  15  32.858 -12.484  10.858
  137    H2*    C  15           H2*        C  15  30.610 -12.581  10.517
  138   2HO*    C  15          2HO*        C  15  30.934 -14.590   9.067
  139    H1*    C  15           H1*        C  15  30.055 -15.007  11.835
  140   1H4     C  15          1H4         C  15  28.842 -11.828  17.255
  141   2H4     C  15          2H4         C  15  27.292 -12.248  16.580
  142    H5     C  15           H5         C  15  30.871 -12.051  16.147
  143    H6     C  15           H6         C  15  32.058 -12.721  14.062
  144   1H5*    A  16          1H5*        A  16  29.845 -12.367   6.429
  145   2H5*    A  16          2H5*        A  16  30.156 -10.929   7.389
  146    H4*    A  16           H4*        A  16  27.723 -12.466   7.029
  147    H3*    A  16           H3*        A  16  28.141  -9.815   8.446
  148    H2*    A  16           H2*        A  16  25.747 -10.214   9.264
  149   2HO*    A  16          2HO*        A  16  24.473 -11.672   8.208
  150    H1*    A  16           H1*        A  16  25.934 -12.642   9.594
  151    H8     A  16           H8         A  16  29.045 -11.212  11.214
  152   1H6     A  16          1H6         A  16  27.191 -10.317  15.451
  153   2H6     A  16          2H6         A  16  25.552 -10.090  16.075
  154    H2     A  16           H2         A  16  22.849 -10.625  12.557
  155   1H5*    C  17          1H5*        C  17  25.194  -9.580   6.481
  156   2H5*    C  17          2H5*        C  17  24.544  -8.214   5.569
  157    H4*    C  17           H4*        C  17  23.024  -8.778   7.384
  158    H3*    C  17           H3*        C  17  24.556  -6.192   7.595
  159    H2*    C  17           H2*        C  17  23.507  -5.705   9.639
  160   2HO*    C  17          2HO*        C  17  21.665  -6.996  10.323
  161    H1*    C  17           H1*        C  17  23.067  -8.175  10.466
  162   1H4     C  17          1H4         C  17  28.302  -7.414  14.114
  163   2H4     C  17          2H4         C  17  26.917  -7.030  15.059
  164    H5     C  17           H5         C  17  28.235  -7.753  11.613
  165    H6     C  17           H6         C  17  26.677  -7.878   9.742
  166   1H5*    U  18          1H5*        U  18  20.060  -5.152   7.835
  167   2H5*    U  18          2H5*        U  18  19.907  -3.439   7.489
  168    H4*    U  18           H4*        U  18  19.178  -4.426   9.845
  169    H3*    U  18           H3*        U  18  20.187  -1.685   9.297
  170    H2*    U  18           H2*        U  18  21.268  -1.554  11.459
  171   2HO*    U  18          2HO*        U  18  19.813  -2.490  13.276
  172    H1*    U  18           H1*        U  18  20.460  -3.885  12.402
  173    H3     U  18           H3         U  18  23.988  -3.129  15.175
  174    H5     U  18           H5         U  18  25.648  -4.030  11.435
  175    H6     U  18           H6         U  18  23.437  -3.664  10.458
  176   1H5*    U  19          1H5*        U  19  16.745  -3.330  11.677
  177   2H5*    U  19          2H5*        U  19  15.568  -2.382  10.812
  178    H4*    U  19           H4*        U  19  14.532  -3.097  13.012
  179    H3*    U  19           H3*        U  19  14.426  -0.241  12.769
  180    H2*    U  19           H2*        U  19  16.793  -0.028  13.725
  181   2HO*    U  19          2HO*        U  19  14.590   0.420  15.514
  182    H1*    U  19           H1*        U  19  15.602  -1.649  15.884
  183    H3     U  19           H3         U  19  19.111  -1.319  18.647
  184    H5     U  19           H5         U  19  20.912  -0.742  14.871
  185    H6     U  19           H6         U  19  18.791  -0.932  13.894
  186   1H5*    A  20          1H5*        A  20  12.274  -2.423  11.047
  187   2H5*    A  20          2H5*        A  20  10.896  -3.264  11.781
  188    H4*    A  20           H4*        A  20  12.204  -4.534   9.956
  189    H3*    A  20           H3*        A  20  11.698  -5.668  12.737
  190    H2*    A  20           H2*        A  20  12.769  -7.605  12.310
  191   2HO*    A  20          2HO*        A  20  13.299  -8.198  10.112
  192    H1*    A  20           H1*        A  20  14.736  -6.566  10.605
  193    H8     A  20           H8         A  20  13.441  -6.734  14.217
  194   1H6     A  20          1H6         A  20  17.547  -6.381  16.634
  195   2H6     A  20          2H6         A  20  19.208  -6.102  16.159
  196    H2     A  20           H2         A  20  19.257  -5.743  11.708
  197   1H5*    A  21          1H5*        A  21  10.130 -10.593  10.945
  198   2H5*    A  21          2H5*        A  21  10.822  -9.759  12.354
  199    H4*    A  21           H4*        A  21  12.399 -10.585   9.823
  200    H3*    A  21           H3*        A  21  12.143 -11.912  12.496
  201    H2*    A  21           H2*        A  21  14.353 -11.677  12.716
  202   2HO*    A  21          2HO*        A  21  14.695 -12.736  10.077
  203    H1*    A  21           H1*        A  21  14.587 -10.256   9.967
  204    H8     A  21           H8         A  21  15.372  -9.917  13.793
  205   1H6     A  21          1H6         A  21  19.771  -7.907  13.430
  206   2H6     A  21          2H6         A  21  20.804  -7.578  12.062
  207    H2     A  21           H2         A  21  18.644  -8.909   8.381
  208   1H5*    A  22          1H5*        A  22  12.881 -14.251   7.121
  209   2H5*    A  22          2H5*        A  22  13.736 -14.070   8.644
  210    H4*    A  22           H4*        A  22  14.115 -12.166   6.307
  211    H3*    A  22           H3*        A  22  15.451 -14.820   7.003
  212    H2*    A  22           H2*        A  22  17.502 -14.018   7.029
  213   2HO*    A  22          2HO*        A  22  17.638 -12.009   5.324
  214    H1*    A  22           H1*        A  22  16.845 -11.193   6.835
  215    H8     A  22           H8         A  22  16.442 -12.483  10.266
  216   1H6     A  22          1H6         A  22  21.013 -11.971  11.852
  217   2H6     A  22          2H6         A  22  22.510 -11.629  11.015
  218    H2     A  22           H2         A  22  21.622 -11.267   6.814
  219   1H5*    A  23          1H5*        A  23  18.134 -13.878   3.912
  220   2H5*    A  23          2H5*        A  23  17.883 -15.213   2.776
  221    H4*    A  23           H4*        A  23  20.159 -15.279   2.965
  222    H3*    A  23           H3*        A  23  19.339 -16.884   5.474
  223    H2*    A  23           H2*        A  23  21.859 -17.438   5.606
  224   2HO*    A  23          2HO*        A  23  22.013 -17.500   3.338
  225    H1*    A  23           H1*        A  23  22.495 -14.764   5.110
  226    H8     A  23           H8         A  23  19.437 -14.947   7.512
  227   1H6     A  23          1H6         A  23  21.914 -13.764  11.568
  228   2H6     A  23          2H6         A  23  23.585 -13.457  11.816
  229    H2     A  23           H2         A  23  25.745 -14.216   7.943
  230   1H5*    A  24          1H5*        A  24  22.746 -20.727   3.532
  231   2H5*    A  24          2H5*        A  24  21.586 -21.580   4.568
  232    H4*    A  24           H4*        A  24  24.035 -21.680   5.423
  233    H3*    A  24           H3*        A  24  21.751 -21.185   7.112
  234    H2*    A  24           H2*        A  24  22.921 -19.927   8.526
  235   2HO*    A  24          2HO*        A  24  25.202 -21.488   8.592
  236    H1*    A  24           H1*        A  24  25.539 -20.231   7.098
  237    H8     A  24           H8         A  24  23.022 -17.743   8.758
  238   1H6     A  24          1H6         A  24  28.085 -14.558  10.092
  239   2H6     A  24          2H6         A  24  26.412 -14.828  10.527
  240    H2     A  24           H2         A  24  29.067 -17.324   6.773
  241   1H5*    C  25          1H5*        C  25  20.722 -23.831   8.375
  242   2H5*    C  25          2H5*        C  25  22.427 -23.608   8.803
  243    H4*    C  25           H4*        C  25  21.134 -24.924  10.466
  244    H3*    C  25           H3*        C  25  23.399 -26.358   9.038
  245    H2*    C  25           H2*        C  25  22.993 -28.178  10.555
  246   2HO*    C  25          2HO*        C  25  22.953 -26.780  12.389
  247    H1*    C  25           H1*        C  25  20.245 -27.800  10.728
  248   1H4     C  25          1H4         C  25  21.451 -32.014   5.773
  249   2H4     C  25          2H4         C  25  20.857 -32.984   7.103
  250    H5     C  25           H5         C  25  21.757 -29.610   5.926
  251    H6     C  25           H6         C  25  21.900 -27.733   7.483
  252   1H5*    A  26          1H5*        A  26  26.434 -23.400  11.489
  253   2H5*    A  26          2H5*        A  26  25.275 -23.566  10.164
  254    H4*    A  26           H4*        A  26  27.453 -24.249   8.787
  255    H3*    A  26           H3*        A  26  28.574 -22.954  11.224
  256    H2*    A  26           H2*        A  26  29.577 -21.179  10.199
  257   2HO*    A  26          2HO*        A  26  30.876 -21.969   8.716
  258    H1*    A  26           H1*        A  26  27.990 -20.658   8.075
  259    H8     A  26           H8         A  26  25.531 -21.084  10.805
  260   1H6     A  26          1H6         A  26  26.270 -17.055  13.411
  261   2H6     A  26          2H6         A  26  27.465 -15.786  13.300
  262    H2     A  26           H2         A  26  30.259 -16.897   9.975
  263   1H5*    C  27          1H5*        C  27  32.091 -23.478   9.396
  264   2H5*    C  27          2H5*        C  27  33.370 -24.464  10.124
  265    H4*    C  27           H4*        C  27  34.176 -22.145   9.713
  266    H3*    C  27           H3*        C  27  33.755 -22.230  12.664
  267    H2*    C  27           H2*        C  27  34.742 -20.130  12.571
  268   2HO*    C  27          2HO*        C  27  35.985 -19.462  10.786
  269    H1*    C  27           H1*        C  27  33.771 -19.499   9.992
  270   1H4     C  27          1H4         C  27  31.299 -15.236  13.927
  271   2H4     C  27          2H4         C  27  29.947 -16.303  14.235
  272    H5     C  27           H5         C  27  29.926 -18.511  13.649
  273    H6     C  27           H6         C  27  30.884 -20.251  12.133
  274   1H5*    C  28          1H5*        C  28  36.934 -19.775  12.401
  275   2H5*    C  28          2H5*        C  28  38.227 -20.834  12.990
  276    H4*    C  28           H4*        C  28  38.525 -18.781  14.137
  277    H3*    C  28           H3*        C  28  37.118 -20.841  15.805
  278    H2*    C  28           H2*        C  28  37.014 -19.424  17.618
  279   2HO*    C  28          2HO*        C  28  38.315 -17.542  17.769
  280    H1*    C  28           H1*        C  28  36.594 -16.994  16.198
  281   1H4     C  28          1H4         C  28  30.755 -19.908  17.184
  282   2H4     C  28          2H4         C  28  30.918 -18.809  18.535
  283    H5     C  28           H5         C  28  32.290 -20.226  15.572
  284    H6     C  28           H6         C  28  34.594 -19.795  14.740
  285   1H5*    G  29          1H5*        G  29  39.387 -19.225  18.337
  286   2H5*    G  29          2H5*        G  29  40.274 -20.414  19.311
  287    H4*    G  29           H4*        G  29  39.011 -18.858  20.708
  288    H3*    G  29           H3*        G  29  37.440 -21.416  20.612
  289    H2*    G  29           H2*        G  29  36.539 -20.512  22.712
  290   2HO*    G  29          2HO*        G  29  37.231 -18.412  23.350
  291    H1*    G  29           H1*        G  29  36.068 -18.113  21.205
  292    H8     G  29           H8         G  29  35.548 -20.807  18.632
  293    H1     G  29           H1         G  29  30.151 -19.284  21.807
  294   1H2     G  29          1H2         G  29  32.480 -17.988  24.317
  295   2H2     G  29          2H2         G  29  30.807 -18.236  23.862
  296   1H5*    G  30          1H5*        G  30  38.693 -24.904  19.766
  297   2H5*    G  30          2H5*        G  30  38.960 -24.179  18.179
  298    H4*    G  30           H4*        G  30  36.766 -25.437  18.610
  299    H3*    G  30           H3*        G  30  36.588 -22.532  17.741
  300    H2*    G  30           H2*        G  30  34.289 -22.554  18.079
  301   2HO*    G  30          2HO*        G  30  33.042 -24.414  17.632
  302    H1*    G  30           H1*        G  30  34.519 -25.145  19.722
  303    H8     G  30           H8         G  30  35.988 -22.583  21.787
  304    H1     G  30           H1         G  30  29.745 -22.285  23.015
  305   1H2     G  30          1H2         G  30  29.150 -23.532  19.802
  306   2H2     G  30          2H2         G  30  28.480 -22.934  21.313
  Start of MODEL   20
    1   1H5*    A   3          1H5*        A   3  26.137  -3.576  26.697
    2   2H5*    A   3          2H5*        A   3  24.465  -3.942  27.246
    3    H4*    A   3           H4*        A   3  24.285  -2.269  25.543
    4    H3*    A   3           H3*        A   3  23.935  -4.831  23.820
    5    H2*    A   3           H2*        A   3  23.405  -3.367  22.078
    6   2HO*    A   3          2HO*        A   3  22.847  -1.285  22.325
    7    H1*    A   3           H1*        A   3  25.724  -1.814  22.549
    8    H8     A   3           H8         A   3  27.195  -4.727  23.061
    9   1H6     A   3          1H6         A   3  28.092  -5.928  18.435
   10   2H6     A   3          2H6         A   3  27.315  -5.468  16.909
   11    H2     A   3           H2         A   3  23.982  -2.674  17.982
   12   1H5*    G   4          1H5*        G   4  20.938  -3.772  23.323
   13   2H5*    G   4          2H5*        G   4  19.246  -4.248  23.583
   14    H4*    G   4           H4*        G   4  19.496  -4.032  21.266
   15    H3*    G   4           H3*        G   4  20.446  -7.049  21.417
   16    H2*    G   4           H2*        G   4  20.583  -6.972  19.017
   17   2HO*    G   4          2HO*        G   4  18.917  -4.700  19.417
   18    H1*    G   4           H1*        G   4  21.624  -4.444  18.963
   19    H8     G   4           H8         G   4  23.786  -5.948  21.437
   20    H1     G   4           H1         G   4  24.937  -7.231  15.210
   21   1H2     G   4          1H2         G   4  21.495  -6.117  15.103
   22   2H2     G   4          2H2         G   4  22.870  -6.680  14.196
   23   1H5*    U   5          1H5*        U   5  16.855  -7.032  19.215
   24   2H5*    U   5          2H5*        U   5  15.588  -8.225  19.529
   25    H4*    U   5           H4*        U   5  16.085  -8.184  17.141
   26    H3*    U   5           H3*        U   5  17.504 -10.670  18.267
   27    H2*    U   5           H2*        U   5  17.955 -11.200  15.999
   28   2HO*    U   5          2HO*        U   5  15.881  -9.388  15.548
   29    H1*    U   5           H1*        U   5  18.630  -8.678  15.322
   30    H3     U   5           H3         U   5  22.708 -10.270  15.045
   31    H5     U   5           H5         U   5  22.261  -9.185  19.068
   32    H6     U   5           H6         U   5  19.838  -9.016  18.678
   33   1H5*    G   6          1H5*        G   6  15.419 -13.886  15.868
   34   2H5*    G   6          2H5*        G   6  16.950 -13.255  16.514
   35    H4*    G   6           H4*        G   6  16.328 -14.010  13.679
   36    H3*    G   6           H3*        G   6  17.801 -15.529  15.804
   37    H2*    G   6           H2*        G   6  19.481 -16.120  14.195
   38   2HO*    G   6          2HO*        G   6  19.184 -15.581  11.967
   39    H1*    G   6           H1*        G   6  19.580 -13.781  12.926
   40    H8     G   6           H8         G   6  19.580 -12.953  16.666
   41    H1     G   6           H1         G   6  25.353 -13.679  14.079
   42   1H2     G   6          1H2         G   6  23.626 -15.350  11.493
   43   2H2     G   6          2H2         G   6  25.165 -14.801  12.122
   44   1H5*    G   7          1H5*        G   7  18.598 -19.423  16.630
   45   2H5*    G   7          2H5*        G   7  18.362 -17.670  16.635
   46    H4*    G   7           H4*        G   7  19.473 -18.319  14.099
   47    H3*    G   7           H3*        G   7  20.509 -20.293  15.978
   48    H2*    G   7           H2*        G   7  22.341 -19.245  16.624
   49   2HO*    G   7          2HO*        G   7  22.745 -19.577  13.899
   50    H1*    G   7           H1*        G   7  22.393 -17.069  14.823
   51    H8     G   7           H8         G   7  20.788 -15.869  17.933
   52    H1     G   7           H1         G   7  27.191 -15.103  17.628
   53   1H2     G   7          1H2         G   7  26.864 -17.632  15.108
   54   2H2     G   7          2H2         G   7  27.907 -16.559  16.018
   55   1H5*   CH   8          1H5*       CH   8  22.861 -23.867  14.216
   56   2H5*   CH   8          2H5*       CH   8  22.868 -23.454  15.964
   57    H4*   CH   8           H4*       CH   8  25.224 -23.205  13.972
   58    H3*   CH   8           H3*       CH   8  24.826 -23.689  17.109
   59    H2*   CH   8           H2*       CH   8  27.170 -23.072  17.234
   60   2HO*   CH   8          2HO*       CH   8  28.399 -22.789  15.095
   61    H1*   CH   8           H1*       CH   8  27.186 -21.497  15.161
   62    HN3   CH   8           HN3       CH   8  29.158 -18.861  18.101
   63   1H4    CH   8          1H4        CH   8  26.748 -17.237  20.042
   64   2H4    CH   8          2H4        CH   8  28.426 -17.156  19.711
   65    H5    CH   8           H5        CH   8  25.125 -18.864  19.336
   66    H6    CH   8           H6        CH   8  24.679 -20.639  17.659
   67   1H5*    G   9          1H5*        G   9  22.558 -27.624  17.537
   68   2H5*    G   9          2H5*        G   9  21.589 -26.134  17.672
   69    H4*    G   9           H4*        G   9  21.912 -27.513  19.814
   70    H3*    G   9           H3*        G   9  21.744 -24.793  19.526
   71    H2*    G   9           H2*        G   9  23.975 -24.298  19.410
   72   2HO*    G   9          2HO*        G   9  22.951 -24.047  21.893
   73    H1*    G   9           H1*        G   9  24.698 -26.283  21.552
   74    H8     G   9           H8         G   9  25.695 -25.623  17.852
   75    H1     G   9           H1         G   9  30.526 -25.718  22.007
   76   1H2     G   9          1H2         G   9  29.746 -26.007  24.066
   77   2H2     G   9          2H2         G   9  28.038 -26.175  24.407
   78   1H5*    C  10          1H5*        C  10  20.811 -21.723  22.798
   79   2H5*    C  10          2H5*        C  10  21.861 -22.627  21.702
   80    H4*    C  10           H4*        C  10  22.494 -22.337  24.669
   81    H3*    C  10           H3*        C  10  23.911 -20.392  22.772
   82    H2*    C  10           H2*        C  10  25.333 -20.132  24.438
   83   2HO*    C  10          2HO*        C  10  23.286 -21.322  25.921
   84    H1*    C  10           H1*        C  10  25.549 -22.885  24.709
   85   1H4     C  10          1H4         C  10  29.183 -23.339  19.415
   86   2H4     C  10          2H4         C  10  30.337 -22.879  20.659
   87    H5     C  10           H5         C  10  26.823 -23.200  19.691
   88    H6     C  10           H6         C  10  25.117 -22.964  21.145
   89   1H5*    C  11          1H5*        C  11  22.988 -15.736  26.502
   90   2H5*    C  11          2H5*        C  11  22.987 -15.509  24.754
   91    H4*    C  11           H4*        C  11  25.289 -16.242  26.689
   92    H3*    C  11           H3*        C  11  25.765 -15.018  23.886
   93    H2*    C  11           H2*        C  11  27.952 -15.505  24.301
   94   2HO*    C  11          2HO*        C  11  28.785 -15.881  26.313
   95    H1*    C  11           H1*        C  11  27.441 -17.887  25.646
   96   1H4     C  11          1H4         C  11  28.220 -20.583  20.053
   97   2H4     C  11          2H4         C  11  29.786 -20.176  20.572
   98    H5     C  11           H5         C  11  26.137 -19.697  21.105
   99    H6     C  11           H6         C  11  25.412 -18.227  22.757
  100   1H5*    G  12          1H5*        G  12  27.726 -12.188  26.067
  101   2H5*    G  12          2H5*        G  12  27.538 -10.465  25.610
  102    H4*    G  12           H4*        G  12  29.916 -11.313  25.372
  103    H3*    G  12           H3*        G  12  28.659 -10.850  22.588
  104    H2*    G  12           H2*        G  12  30.614 -11.392  21.692
  105   2HO*    G  12          2HO*        G  12  32.523 -11.861  23.019
  106    H1*    G  12           H1*        G  12  31.344 -13.316  23.272
  107    H8     G  12           H8         G  12  27.872 -14.234  22.492
  108    H1     G  12           H1         G  12  32.301 -16.857  18.915
  109   1H2     G  12          1H2         G  12  34.521 -14.488  20.294
  110   2H2     G  12          2H2         G  12  34.323 -15.861  19.215
  111   1H5*    A  13          1H5*        A  13  32.522  -7.680  20.623
  112   2H5*    A  13          2H5*        A  13  31.597  -8.923  19.768
  113    H4*    A  13           H4*        A  13  33.810  -9.282  19.092
  114    H3*    A  13           H3*        A  13  32.607 -11.216  20.778
  115    H2*    A  13           H2*        A  13  34.159 -11.591  22.383
  116   2HO*    A  13          2HO*        A  13  35.276 -12.467  20.073
  117    H1*    A  13           H1*        A  13  36.418 -10.133  21.375
  118    H8     A  13           H8         A  13  33.453  -9.833  23.912
  119   1H6     A  13          1H6         A  13  36.031  -8.107  27.584
  120   2H6     A  13          2H6         A  13  37.714  -7.666  27.765
  121    H2     A  13           H2         A  13  39.683  -8.375  23.790
  122   1H5*    C  14          1H5*        C  14  35.279 -13.970  18.403
  123   2H5*    C  14          2H5*        C  14  36.427 -13.873  17.064
  124    H4*    C  14           H4*        C  14  35.274 -15.747  16.434
  125    H3*    C  14           H3*        C  14  33.675 -13.434  15.345
  126    H2*    C  14           H2*        C  14  31.852 -14.926  14.744
  127   2HO*    C  14          2HO*        C  14  32.196 -17.107  14.591
  128    H1*    C  14           H1*        C  14  32.071 -16.641  16.745
  129   1H4     C  14          1H4         C  14  28.469 -12.493  20.053
  130   2H4     C  14          2H4         C  14  27.361 -13.546  19.210
  131    H5     C  14           H5         C  14  30.870 -12.470  19.531
  132    H6     C  14           H6         C  14  32.593 -13.449  18.093
  133   1H5*    C  15          1H5*        C  15  34.112 -14.718  10.561
  134   2H5*    C  15          2H5*        C  15  33.416 -13.159  10.177
  135    H4*    C  15           H4*        C  15  32.210 -15.692   9.923
  136    H3*    C  15           H3*        C  15  30.914 -12.976  10.002
  137    H2*    C  15           H2*        C  15  28.880 -13.973   9.675
  138   2HO*    C  15          2HO*        C  15  28.723 -15.932   9.037
  139    H1*    C  15           H1*        C  15  29.237 -16.092  11.417
  140   1H4     C  15          1H4         C  15  28.006 -11.986  16.284
  141   2H4     C  15          2H4         C  15  26.425 -12.516  15.791
  142    H5     C  15           H5         C  15  29.942 -12.413  15.217
  143    H6     C  15           H6         C  15  31.020 -13.376  13.236
  144   1H5*    A  16          1H5*        A  16  28.174 -13.615   5.772
  145   2H5*    A  16          2H5*        A  16  28.718 -12.369   6.888
  146    H4*    A  16           H4*        A  16  26.127 -13.873   6.742
  147    H3*    A  16           H3*        A  16  26.719 -10.938   7.118
  148    H2*    A  16           H2*        A  16  24.836 -10.852   8.824
  149   2HO*    A  16          2HO*        A  16  23.822 -12.783   6.976
  150    H1*    A  16           H1*        A  16  24.667 -13.385   9.387
  151    H8     A  16           H8         A  16  28.058 -12.122  10.539
  152   1H6     A  16          1H6         A  16  26.679 -10.803  15.015
  153   2H6     A  16          2H6         A  16  25.105 -10.417  15.737
  154    H2     A  16           H2         A  16  22.042 -10.997  12.538
  155   1H5*    C  17          1H5*        C  17  23.670  -7.819   5.730
  156   2H5*    C  17          2H5*        C  17  25.185  -8.404   6.409
  157    H4*    C  17           H4*        C  17  22.557  -8.494   7.940
  158    H3*    C  17           H3*        C  17  24.563  -6.226   7.960
  159    H2*    C  17           H2*        C  17  23.822  -5.765  10.149
  160   2HO*    C  17          2HO*        C  17  21.510  -6.945   9.167
  161    H1*    C  17           H1*        C  17  23.143  -8.364  10.648
  162   1H4     C  17          1H4         C  17  28.361  -8.415  14.396
  163   2H4     C  17          2H4         C  17  27.025  -7.845  15.329
  164    H5     C  17           H5         C  17  28.242  -8.611  11.707
  165    H6     C  17           H6         C  17  26.695  -8.523   9.969
  166   1H5*    U  18          1H5*        U  18  21.374  -1.672   8.626
  167   2H5*    U  18          2H5*        U  18  23.069  -2.111   8.719
  168    H4*    U  18           H4*        U  18  20.921  -3.000  10.691
  169    H3*    U  18           H3*        U  18  22.275  -0.508  10.683
  170    H2*    U  18           H2*        U  18  23.938  -1.194  12.413
  171   2HO*    U  18          2HO*        U  18  21.343  -1.087  13.430
  172    H1*    U  18           H1*        U  18  22.164  -3.266  13.131
  173    H3     U  18           H3         U  18  25.442  -4.053  16.113
  174    H5     U  18           H5         U  18  26.719  -5.391  12.355
  175    H6     U  18           H6         U  18  25.036  -4.112  11.368
  176   1H5*    U  19          1H5*        U  19  17.952  -1.694  11.961
  177   2H5*    U  19          2H5*        U  19  16.829  -0.452  11.391
  178    H4*    U  19           H4*        U  19  16.076  -1.340  13.658
  179    H3*    U  19           H3*        U  19  16.058   1.423  13.345
  180    H2*    U  19           H2*        U  19  18.574   1.570  14.189
  181   2HO*    U  19          2HO*        U  19  17.022   3.099  15.164
  182    H1*    U  19           H1*        U  19  17.339  -0.057  16.383
  183    H3     U  19           H3         U  19  20.943   0.045  19.071
  184    H5     U  19           H5         U  19  22.631   0.194  15.192
  185    H6     U  19           H6         U  19  20.464   0.173  14.317
  186   1H5*    A  20          1H5*        A  20  12.449  -0.157  11.719
  187   2H5*    A  20          2H5*        A  20  12.107  -1.055  13.203
  188    H4*    A  20           H4*        A  20  13.280  -1.964  10.607
  189    H3*    A  20           H3*        A  20  11.321  -2.936  12.296
  190    H2*    A  20           H2*        A  20  12.586  -4.201  13.796
  191   2HO*    A  20          2HO*        A  20  13.379  -6.211  12.759
  192    H1*    A  20           H1*        A  20  14.828  -4.591  11.810
  193    H8     A  20           H8         A  20  13.902  -3.617  15.455
  194   1H6     A  20          1H6         A  20  18.176  -4.488  17.482
  195   2H6     A  20          2H6         A  20  19.758  -4.854  16.832
  196    H2     A  20           H2         A  20  19.361  -4.908  12.381
  197   1H5*    A  21          1H5*        A  21  11.295  -6.897   9.911
  198   2H5*    A  21          2H5*        A  21  12.363  -6.135  11.107
  199    H4*    A  21           H4*        A  21  12.996  -8.599   9.405
  200    H3*    A  21           H3*        A  21  12.017  -8.330  12.245
  201    H2*    A  21           H2*        A  21  13.906  -9.267  13.224
  202   2HO*    A  21          2HO*        A  21  14.482 -11.211  12.609
  203    H1*    A  21           H1*        A  21  15.539  -9.651  11.022
  204    H8     A  21           H8         A  21  15.088  -7.706  14.227
  205   1H6     A  21          1H6         A  21  19.914  -7.065  14.876
  206   2H6     A  21          2H6         A  21  21.245  -7.045  13.741
  207    H2     A  21           H2         A  21  19.526  -7.963   9.685
  208   1H5*    A  22          1H5*        A  22  13.200 -14.188  10.021
  209   2H5*    A  22          2H5*        A  22  14.397 -13.489  11.082
  210    H4*    A  22           H4*        A  22  13.830 -12.337   8.322
  211    H3*    A  22           H3*        A  22  15.325 -14.792   9.144
  212    H2*    A  22           H2*        A  22  17.368 -13.937   8.872
  213   2HO*    A  22          2HO*        A  22  17.299 -14.553   6.717
  214    H1*    A  22           H1*        A  22  16.520 -11.414   7.623
  215    H8     A  22           H8         A  22  17.472 -11.753  11.343
  216   1H6     A  22          1H6         A  22  22.150 -10.441  10.857
  217   2H6     A  22          2H6         A  22  23.108 -10.029   9.466
  218    H2     A  22           H2         A  22  20.720 -10.495   5.972
  219   1H5*    A  23          1H5*        A  23  15.823 -15.828   4.974
  220   2H5*    A  23          2H5*        A  23  15.227 -17.483   4.743
  221    H4*    A  23           H4*        A  23  17.551 -17.553   4.218
  222    H3*    A  23           H3*        A  23  17.396 -18.327   7.217
  223    H2*    A  23           H2*        A  23  19.899 -18.934   6.907
  224   2HO*    A  23          2HO*        A  23  19.687 -19.661   4.845
  225    H1*    A  23           H1*        A  23  20.371 -16.499   5.656
  226    H8     A  23           H8         A  23  17.695 -16.071   8.449
  227   1H6     A  23          1H6         A  23  20.696 -13.777  11.544
  228   2H6     A  23          2H6         A  23  22.419 -13.515  11.508
  229    H2     A  23           H2         A  23  23.955 -15.271   7.702
  230   1H5*    A  24          1H5*        A  24  19.655 -23.651   5.571
  231   2H5*    A  24          2H5*        A  24  19.833 -22.885   7.179
  232    H4*    A  24           H4*        A  24  21.382 -21.978   4.774
  233    H3*    A  24           H3*        A  24  21.869 -24.272   6.610
  234    H2*    A  24           H2*        A  24  23.343 -23.188   7.836
  235   2HO*    A  24          2HO*        A  24  25.442 -23.322   7.179
  236    H1*    A  24           H1*        A  24  23.535 -20.996   5.723
  237    H8     A  24           H8         A  24  22.322 -21.134   9.226
  238   1H6     A  24          1H6         A  24  26.145 -16.349  10.206
  239   2H6     A  24          2H6         A  24  24.746 -17.199  10.817
  240    H2     A  24           H2         A  24  27.320 -18.433   6.356
  241   1H5*    C  25          1H5*        C  25  22.805 -26.900   7.096
  242   2H5*    C  25          2H5*        C  25  23.771 -25.442   6.987
  243    H4*    C  25           H4*        C  25  24.738 -26.996   8.410
  244    H3*    C  25           H3*        C  25  26.119 -25.804   6.277
  245    H2*    C  25           H2*        C  25  26.412 -27.538   4.956
  246   2HO*    C  25          2HO*        C  25  28.513 -28.510   5.371
  247    H1*    C  25           H1*        C  25  26.911 -29.440   7.226
  248   1H4     C  25          1H4         C  25  24.610 -32.986   2.206
  249   2H4     C  25          2H4         C  25  26.272 -33.494   2.412
  250    H5     C  25           H5         C  25  23.578 -31.362   3.709
  251    H6     C  25           H6         C  25  24.145 -29.283   4.975
  252   1H5*    A  26          1H5*        A  26  26.239 -24.807  11.260
  253   2H5*    A  26          2H5*        A  26  25.382 -25.467   9.857
  254    H4*    A  26           H4*        A  26  27.441 -24.888   8.490
  255    H3*    A  26           H3*        A  26  28.156 -23.683  11.129
  256    H2*    A  26           H2*        A  26  28.943 -21.745  10.179
  257   2HO*    A  26          2HO*        A  26  29.195 -23.281   7.798
  258    H1*    A  26           H1*        A  26  27.227 -21.623   7.954
  259    H8     A  26           H8         A  26  24.698 -21.710  10.391
  260   1H6     A  26          1H6         A  26  26.889 -16.652  13.274
  261   2H6     A  26          2H6         A  26  25.604 -17.831  13.310
  262    H2     A  26           H2         A  26  29.828 -17.929  10.124
  263   1H5*    C  27          1H5*        C  27  31.607 -23.640   9.302
  264   2H5*    C  27          2H5*        C  27  33.004 -24.568   9.871
  265    H4*    C  27           H4*        C  27  34.010 -22.652  10.249
  266    H3*    C  27           H3*        C  27  32.814 -22.669  12.998
  267    H2*    C  27           H2*        C  27  33.915 -20.565  13.181
  268   2HO*    C  27          2HO*        C  27  35.863 -20.969  12.317
  269    H1*    C  27           H1*        C  27  33.354 -19.946  10.451
  270   1H4     C  27          1H4         C  27  28.614 -17.056  14.000
  271   2H4     C  27          2H4         C  27  29.797 -15.836  13.588
  272    H5     C  27           H5         C  27  28.969 -19.268  13.735
  273    H6     C  27           H6         C  27  30.214 -21.041  12.328
  274   1H5*    C  28          1H5*        C  28  38.050 -21.744  13.719
  275   2H5*    C  28          2H5*        C  28  37.762 -22.427  15.328
  276    H4*    C  28           H4*        C  28  38.828 -19.952  14.880
  277    H3*    C  28           H3*        C  28  37.330 -21.164  17.156
  278    H2*    C  28           H2*        C  28  36.875 -19.175  18.213
  279   2HO*    C  28          2HO*        C  28  38.851 -18.283  18.403
  280    H1*    C  28           H1*        C  28  36.640 -17.430  16.044
  281   1H4     C  28          1H4         C  28  30.853 -20.240  17.688
  282   2H4     C  28          2H4         C  28  30.949 -18.766  18.636
  283    H5     C  28           H5         C  28  32.595 -21.104  16.464
  284    H6     C  28           H6         C  28  34.733 -20.553  15.226
  285   1H5*    G  29          1H5*        G  29  40.226 -19.403  19.273
  286   2H5*    G  29          2H5*        G  29  41.194 -20.244  20.493
  287    H4*    G  29           H4*        G  29  39.819 -18.370  21.418
  288    H3*    G  29           H3*        G  29  38.709 -21.053  22.313
  289    H2*    G  29           H2*        G  29  37.105 -19.877  23.591
  290   2HO*    G  29          2HO*        G  29  37.278 -17.636  23.936
  291    H1*    G  29           H1*        G  29  36.690 -17.855  21.653
  292    H8     G  29           H8         G  29  36.555 -20.943  19.484
  293    H1     G  29           H1         G  29  30.867 -19.168  21.909
  294   1H2     G  29          1H2         G  29  32.952 -17.362  24.323
  295   2H2     G  29          2H2         G  29  31.329 -17.750  23.797
  296   1H5*    G  30          1H5*        G  30  39.687 -19.430  25.790
  297   2H5*    G  30          2H5*        G  30  39.834 -20.432  27.248
  298    H4*    G  30           H4*        G  30  37.623 -19.172  26.774
  299    H3*    G  30           H3*        G  30  37.720 -22.137  27.355
  300    H2*    G  30           H2*        G  30  35.452 -22.346  26.935
  301   2HO*    G  30          2HO*        G  30  34.024 -20.540  27.335
  302    H1*    G  30           H1*        G  30  35.251 -19.773  25.546
  303    H8     G  30           H8         G  30  36.737 -21.900  22.806
  304    H1     G  30           H1         G  30  30.384 -22.089  23.016
  305   1H2     G  30          1H2         G  30  30.593 -20.973  26.321
  306   2H2     G  30          2H2         G  30  29.571 -21.451  24.977