*HEADER    RNA                                     21-NOV-02   1N8X              
*TITLE     SOLUTION STRUCTURE OF HIV-1 STEM LOOP SL1                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIV-1 STEM LOOP SL1 MONOMERIC RNA;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: HIV-1 STEM LOOP SL1;                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHESIZED BY IN VITRO             
*SOURCE   4 TRANSCRIPTION USING A SINGLE STRANDED DNA TEMPLATE AND T7            
*SOURCE   5 RNA POLYMERASE.                                                      
*KEYWDS    HIV, SL1, RNA STEM LOOP, BULGE, G-A MISMATCH                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.C.LAWRENCE, C.C.STOVER, J.NOZNITSKY, Z.WU, M.F.SUMMERS              
*REVDAT   1   08-APR-03 1N8X    0                                                
#-------------------------------------------------------------------
#TEXT FILE CONTAINING ALL RESTRAINTS USED FOR STRUCTURE CALCULATION
#AND REFINEMENT OF HIV1-SL1(GAGA) MONOMERIC RNA
#------------------------------------------------------------------

#SL1m sequence file:

RGUA 1 RGUA RADE RCYT URA RCYT RGUA RGUA RCYT URA URA RGUA RCYT URA RGUA RGUA
RADE RGUA RADE RCYT RGUA RGUA RCYT RADE RADE RGUA RADE RGUA RGUA RCYT RGUA RADE RGUA URA RCYT RCYT 

#--------------------------------------------------------------------
#Upper limit restraints for SL1-gaga monomeric RNA
#--------------------------------------------------------------------

#----------------------BEGIN C4'-O4' BOND----------------------------
# C4'-O4' bond is not in the DYANA residue library -this is a cov. bond

 1 RGUA C4'   1 RGUA O4'     1.40  10.00E+00
 2 RGUA C4'   2 RGUA O4'     1.40  10.00E+00
 3 RADE C4'   3 RADE O4'     1.40  10.00E+00
 4 RCYT C4'   4 RCYT O4'     1.40  10.00E+00
 5 URA  C4'   5 URA  O4'     1.40  10.00E+00
 6 RCYT C4'   6 RCYT O4'     1.40  10.00E+00
 7 RGUA C4'   7 RGUA O4'     1.40  10.00E+00
 8 RGUA C4'   8 RGUA O4'     1.40  10.00E+00
 9 RCYT C4'   9 RCYT O4'     1.40  10.00E+00
10 URA  C4'  10 URA  O4'     1.40  10.00E+00
11 URA  C4'  11 URA  O4'     1.40  10.00E+00
12 RGUA C4'  12 RGUA O4'     1.40  10.00E+00
13 RCYT C4'  13 RCYT O4'     1.40  10.00E+00
14 URA  C4'  14 URA  O4'     1.40  10.00E+00
15 RGUA C4'  15 RGUA O4'     1.40  10.00E+00
16 RGUA C4'  16 RGUA O4'     1.40  10.00E+00
17 RADE C4'  17 RADE O4'     1.40  10.00E+00
18 RGUA C4'  18 RGUA O4'     1.40  10.00E+00
19 RADE C4'  19 RADE O4'     1.40  10.00E+00
20 RCYT C4'  20 RCYT O4'     1.40  10.00E+00
21 RGUA C4'  21 RGUA O4'     1.40  10.00E+00
22 RGUA C4'  22 RGUA O4'     1.40  10.00E+00
23 RCYT C4'  23 RCYT O4'     1.40  10.00E+00
24 RADE C4'  24 RADE O4'     1.40  10.00E+00
25 RADE C4'  25 RADE O4'     1.40  10.00E+00
26 RGUA C4'  26 RGUA O4'     1.40  10.00E+00
27 RADE C4'  27 RADE O4'     1.40  10.00E+00
28 RGUA C4'  28 RGUA O4'     1.40  10.00E+00
29 RGUA C4'  29 RGUA O4'     1.40  10.00E+00
30 RCYT C4'  30 RCYT O4'     1.40  10.00E+00
31 RGUA C4'  31 RGUA O4'     1.40  10.00E+00
32 RADE C4'  32 RADE O4'     1.40  10.00E+00
33 RGUA C4'  33 RGUA O4'     1.40  10.00E+00
34 URA  C4'  34 URA  O4'     1.40  10.00E+00
35 RCYT C4'  35 RCYT O4'     1.40  10.00E+00
36 RCYT C4'  36 RCYT O4'     1.40  10.00E+00

#--------------END C4'-O4' BOND-----------------

#--------------BEGIN H-BONDS--------------------

#G1-C36
 1 RGUA H1   36 RCYT N3      1.89  1.00E+00
 1 RGUA N1   36 RCYT N3      3.00  1.00E+00
 1 RGUA H21  36 RCYT O2      1.89  1.00E+00
 1 RGUA N2   36 RCYT O2      3.00  1.00E+00
 1 RGUA O6   36 RCYT H41     1.89  1.00E+00
 1 RGUA O6   36 RCYT N4      3.00  1.00E+00

#G2-C35
 2 RGUA H1   35 RCYT N3      1.89  1.00E+00
 2 RGUA N1   35 RCYT N3      3.00  1.00E+00
 2 RGUA H21  35 RCYT O2      1.89  1.00E+00
 2 RGUA N2   35 RCYT O2      3.00  1.00E+00
 2 RGUA O6   35 RCYT H41     1.89  1.00E+00
 2 RGUA O6   35 RCYT N4      3.00  1.00E+00

#A3-U34
 3 RADE N1   34 URA  H3      1.89  1.00E+00
 3 RADE N1   34 URA  N3      3.00  1.00E+00
 3 RADE H61  34 URA  O4      1.89  1.00E+00
 3 RADE N6   34 URA  O4      3.00  1.00E+00

#C4-G33
 4 RCYT N3   33 RGUA H1      1.89  1.00E+00
 4 RCYT N3   33 RGUA N1      3.00  1.00E+00
 4 RCYT O2   33 RGUA H21     1.89  1.00E+00
 4 RCYT O2   33 RGUA N2      3.00  1.00E+00
 4 RCYT H41  33 RGUA O6      1.89  1.00E+00
 4 RCYT N4   33 RGUA O6      3.00  1.00E+00

#U5-A32
 5 URA H3   32 RADE N1      1.89  1.00E+00
 5 URA N3   32 RADE N1      3.00  1.00E+00
 5 URA O4   32 RADE H61     1.89  1.00E+00
 5 URA O4   32 RADE N6      3.00  1.00E+00

#C6-G31
 6 RCYT N3  31 RGUA H1      1.89  1.00E+00
 6 RCYT N3  31 RGUA N1      3.00  1.00E+00
 6 RCYT O2  31 RGUA H21     1.89  1.00E+00
 6 RCYT O2  31 RGUA N2      3.00  1.00E+00
 6 RCYT H41 31 RGUA O6      1.89  1.00E+00
 6 RCYT N4  31 RGUA O6      3.00  1.00E+00

#G7-C30
 7 RGUA H1  30 RCYT N3      1.89  1.00E+00
 7 RGUA N1  30 RCYT N3      3.00  1.00E+00
 7 RGUA H21 30 RCYT O2      1.89  1.00E+00
 7 RGUA N2  30 RCYT O2      3.00  1.00E+00
 7 RGUA O6  30 RCYT H41     1.89  1.00E+00
 7 RGUA O6  30 RCYT N4      3.00  1.00E+00

#G8-A27
 8 RGUA O6  27 RADE H61     1.89  1.00E+00  
 8 RGUA O6  27 RADE N6      3.00  1.00E+00 
 8 RGUA H1  27 RADE N1      2.00  1.00E+00
 8 RGUA N1  27 RADE N1      3.00  1.00E+00

#C9-G26
 9 RCYT N3  26 RGUA H1      1.89  1.00E+00
 9 RCYT N3  26 RGUA N1      3.00  1.00E+00
 9 RCYT O2  26 RGUA H21     1.89  1.00E+00
 9 RCYT O2  26 RGUA N2      3.00  1.00E+00
 9 RCYT H41 26 RGUA O6      1.89  1.00E+00
 9 RCYT N4  26 RGUA O6      3.00  1.00E+00

#U10-A25
10 URA  H3  25 RADE N1      1.89  1.00E+00
10 URA  N3  25 RADE N1      3.00  1.00E+00
10 URA  O4  25 RADE H61     1.89  1.00E+00
10 URA  O4  25 RADE N6      3.00  1.00E+00
 
#U11-A24
11 URA  H3  24 RADE N1      1.89  1.00E+00
11 URA  N3  24 RADE N1      3.00  1.00E+00
11 URA  O4  24 RADE H61     1.89  1.00E+00
11 URA  O4  24 RADE N6      3.00  1.00E+00
 
#G12-C23
12 RGUA H1  23 RCYT N3      1.89  1.00E+00
12 RGUA N1  23 RCYT N3      3.00  1.00E+00
12 RGUA H21 23 RCYT O2      1.89  1.00E+00
12 RGUA N2  23 RCYT O2      3.00  1.00E+00
12 RGUA O6  23 RCYT H41     1.89  1.00E+00
12 RGUA O6  23 RCYT N4      3.00  1.00E+00

#C13-G22
13 RCYT N3  22 RGUA H1      1.89  1.00E+00
13 RCYT N3  22 RGUA N1      3.00  1.00E+00
13 RCYT O2  22 RGUA H21     1.89  1.00E+00
13 RCYT O2  22 RGUA N2      3.00  1.00E+00
13 RCYT H41 22 RGUA O6      1.89  1.00E+00
13 RCYT N4  22 RGUA O6      3.00  1.00E+00

#-------------------------------------------
#GU WOBBLE
#-------------------------------------------

#U14-G21
14 URA H3    21 RGUA O6      1.89  1.00E+00
14 URA N3    21 RGUA O6      3.00  1.00E+00
14 URA O2    21 RGUA H1      1.89  1.00E+00
14 URA O2    21 RGUA N1      3.00  1.00E+00

#G15-C20
15 RGUA H1   20 RCYT N3      1.89  1.00E+00
15 RGUA N1   20 RCYT N3      3.00  1.00E+00
15 RGUA H21  20 RCYT O2      1.89  1.00E+00
15 RGUA N2   20 RCYT O2      3.00  1.00E+00
15 RGUA O6   20 RCYT H41     1.89  1.00E+00
15 RGUA O6   20 RCYT N4      3.00  1.00E+00

#-------------------------------------------
#GNRA loop H-bonds
#-------------------------------------------

#G16-A19
 16 RGUA H22   19 RADE N7      1.89  1.00E+00
 16 RGUA N2    19 RADE N7      3.00  1.00E+00
 16 RGUA O2'   19 RADE H61     1.89  1.00E+00    
 16 RGUA O2'   19 RADE N6      3.00  1.00E+00   
 
#-------------------END H-BONDS-------------

#-------------------BEGIN INTRARESIDUE------

#G1 
 1  RGUA  H8   1  RGUA  H2'    3.80 1.00E+00
 1  RGUA  H8   1  RGUA  H3'    3.30 1.00E+00
 1  RGUA  H3'   1  RGUA  H5"    3.30    1.00E+00
 1  RGUA  H4'   1  RGUA  H5'    2.70    1.00E+00
 1  RGUA  H4'   1  RGUA  H5"    2.70    1.00E+00


#G2 
 2  RGUA  H8   2  RGUA  H2'    3.80 1.00E+00
 2  RGUA  H8   2  RGUA  H3'    3.30 1.00E+00
 2  RGUA  H3'   2  RGUA  H5"    3.30    1.00E+00
 2  RGUA  H4'   2  RGUA  H5'    2.70    1.00E+00
 2  RGUA  H4'   2  RGUA  H5"    2.70    1.00E+00


#A3 
 3  RADE  H8    3  RADE  H2'   3.80  1.00E+00
 3  RADE  H8    3  RADE  H3'   3.30  1.00E+00
 3  RADE  H3'   3  RADE  H5"   3.30  1.00E+00
 3  RADE  H4'   3  RADE  H5'   2.70  1.00E+00
 3  RADE  H4'   3  RADE  H5"   2.70  1.00E+00

#C4
 4  RCYT  H6   4  RCYT  H2'   3.80  1.00E+00
 4  RCYT  H6   4  RCYT  H3'    3.30  1.00E+00
 4  RCYT  H3'   4  RCYT  H5"    3.30  1.00E+00
 4  RCYT  H4'   4  RCYT  H5'    2.70  1.00E+00 
 4  RCYT  H4'   4  RCYT  H5"    2.70  1.00E+00 

#U5 
 5  URA  H6   5  URA  H2'     3.80 1.00E+00
 5  URA  H6   5  URA  H3'    3.30 1.00E+00
 5  URA  H3'    5  URA  H5"     3.30    1.00E+00
 5  URA  H4'   5  URA  H5'    2.70 1.00E+00
 5  URA  H4'   5  URA  H5"    2.70 1.00E+00

#C6 
 6  RCYT  H6   6  RCYT  H2'    3.80  1.00E+00
 6  RCYT  H6   6  RCYT  H3'    3.30 1.00E+00
 6  RCYT  H3'   6  RCYT  H5"    3.30    1.00E+00
 6  RCYT  H4'   6  RCYT  H5'    2.70 1.00E+00
 6  RCYT  H4'   6  RCYT  H5"    2.70 1.00E+00

#G7
 7  RGUA  H8   7  RGUA  H2'   3.80    1.00E+00
 7  RGUA  H8   7  RGUA  H3'    3.30    1.00E+00
 7  RGUA  H3'   7  RGUA  H5"    3.30    1.00E+00
 7  RGUA  H4'   7  RGUA  H5'    2.70    1.00E+00 
 7  RGUA  H4'   7  RGUA  H5"    2.70    1.00E+00 

#G8 
 8  RGUA  H8   8  RGUA  H2'    3.80 1.00E+00
 8  RGUA  H8   8  RGUA  H3'    3.30 1.00E+00
 8  RGUA  H3'   8  RGUA  H5"    3.30    1.00E+00
 8  RGUA  H4'   8  RGUA  H5'    2.70 1.00E+00
 8  RGUA  H4'   8  RGUA  H5"    2.70 1.00E+00

#C9
 9  RCYT  H6   9  RCYT  H2'    3.80    1.00E+00
 9  RCYT  H6   9  RCYT  H3'    3.30   1.00E+00
 9  RCYT  H3'   9  RCYT  H5"    3.30    1.00E+00
 9  RCYT  H4'   9  RCYT  H5'    2.70   1.00E+00
 9  RCYT  H4'   9  RCYT  H5"    2.70   1.00E+00

#U10 
 10  URA  H6   10  URA  H2'     3.80    1.00E+00
 10  URA  H6   10  URA  H3'    3.30 1.00E+00
 10  URA  H3'  10  URA  H5"     3.30    1.00E+00
 10  URA  H4'  10  URA  H5'    2.70 1.00E+00
 10  URA  H4'  10  URA  H5"    2.70 1.00E+00

#U11 
 11  URA  H6   11  URA  H2'     3.80    1.00E+00
 11  URA  H6   11  URA  H3'     3.30    1.00E+00
 11  URA  H3'  11  URA  H5"     3.30    1.00E+00
 11  URA  H4'  11  URA  H5'     2.70    1.00E+00
 11  URA  H4'  11  URA  H5"     2.70    1.00E+00

#G12 
 12  RGUA  H8  12  RGUA  H2'    3.80    1.00E+00
 12  RGUA  H8  12  RGUA  H3'    3.30 1.00E+00
 12  RGUA  H3' 12  RGUA  H5"    3.30    1.00E+00
 12  RGUA  H4' 12  RGUA  H5'    2.70 1.00E+00
 12  RGUA  H4' 12  RGUA  H5"    2.70 1.00E+00

#C13 
 13  RCYT  H6   13  RCYT  H2'   3.80    1.00E+00
 13  RCYT  H6   13  RCYT  H3'   3.30    1.00E+00 
 13  RCYT  H3'  13  RCYT  H5"   3.30    1.00E+00
 13  RCYT  H4'  13  RCYT  H5'   2.70    1.00E+00
 13  RCYT  H4'  13  RCYT  H5"   2.70    1.00E+00

#U14 
 14 URA  H6    14  URA  H2'     3.80    1.00E+00
 14 URA  H6    14  URA  H3'     3.30 1.00E+00
 14 URA  H3'   14  URA  H5"     3.30    1.00E+00
 14 URA  H4'   14  URA  H5'     2.70 1.00E+00
 14 URA  H4'   14  URA  H5"     2.70 1.00E+00

#G15
 15  RGUA  H8   15  RGUA  H2'   3.80    1.00E+00
 15  RGUA  H8   15  RGUA  H3'   3.30   1.00E+00
 15  RGUA  H3'  15  RGUA  H5"   3.30    1.00E+00
 15  RGUA  H4'  15  RGUA  H5'   2.70   1.00E+00
 15  RGUA  H4'  15  RGUA  H5"   2.70   1.00E+00

####### GAGA TETRALOOP ######
 
#G16 
 16 RGUA  H8    16  RGUA  H2'   3.80 1.00E+00
 16 RGUA  H8    16  RGUA  H3'   3.30 1.00E+00
 16 RGUA  H3'   16  RGUA  H5"   3.30    1.00E+00
 16 RGUA  H4'   16  RGUA  H5'   2.70 1.00E+00
 16 RGUA  H4'   16  RGUA  H5"   2.70 1.00E+00

#A17
 17 RADE  H8   17  RADE  H2'   5.00    1.00E+00 #weak
 17 RADE  H8   17  RADE  H3'   3.30    1.00E+00
 17 RADE  H3'   17  RADE  H5"   3.30    1.00E+00
 17 RADE  H4'   17  RADE  H5'   2.70    1.00E+00 
 17 RADE  H4'   17  RADE  H5"   2.70    1.00E+00 
 
#G18
 18  RGUA  H8   18  RGUA  H2'   3.80   1.00E+00
 18  RGUA  H8   18  RGUA  H3'   3.30   1.00E+00
 18  RGUA  H3'  18  RGUA  H5"   3.30   1.00E+00
 18  RGUA  H4'  18  RGUA  H5'   2.70   1.00E+00
 18  RGUA  H4'  18  RGUA  H5"   2.70   1.00E+00

#A19 
 19  RADE  H8   19  RADE  H2'   3.80    1.00E+00
 19  RADE  H8   19  RADE  H3'   3.30    1.00E+00 
 19  RADE  H3'  19  RADE  H5"   3.30    1.00E+00
 19  RADE  H4'  19  RADE  H5'   2.70    1.00E+00
 19  RADE  H4'  19  RADE  H5"   2.70    1.00E+00

 
####### 3'- HALF OF UPPER STEM #########

#C20
 20  RCYT  H6   20  RCYT  H2'   5.00    1.00E+00 #weak
 20  RCYT  H6   20  RCYT  H3'   3.30    1.00E+00
 20  RCYT  H3'  20  RCYT  H5"   3.30    1.00E+00
 20  RCYT  H4'  20  RCYT  H5'   2.70    1.00E+00 
 20  RCYT  H4'  20  RCYT  H5"   3.30    1.00E+00

#G21
 21  RGUA  H8   21  RGUA  H2'   3.80    1.00E+00
 21  RGUA  H8   21  RGUA  H3'   3.30   1.00E+00
 21  RGUA  H3'  21  RGUA  H5"   3.30    1.00E+00
 21  RGUA  H4'  21  RGUA  H5'   2.70   1.00E+00
 21  RGUA  H4'  21  RGUA  H5"   2.70   1.00E+00

#G22
 22  RGUA  H8   22  RGUA  H2'   3.80    1.00E+00
 22  RGUA  H8   22  RGUA  H3'   3.30   1.00E+00
 22  RGUA  H3'  22  RGUA  H5"   3.30    1.00E+00
 22  RGUA  H4'  22  RGUA  H5'   2.70   1.00E+00
 22  RGUA  H4'  22  RGUA  H5"   2.70   1.00E+00

#C23
 23  RCYT  H6   23  RCYT  H2'   3.80    1.00E+00
 23  RCYT  H6   23  RCYT  H3'   3.30    1.00E+00
 23  RCYT  H3'  23  RCYT  H5"   3.30    1.00E+00
 23  RCYT  H4'  23  RCYT  H5'   2.70    1.00E+00 
 23  RCYT  H4'  23  RCYT  H5"   2.70    1.00E+00 

#A24 
 24  RADE  H8   24  RADE  H2'   3.80    1.00E+00
 24  RADE  H8   24  RADE  H3'   3.30    1.00E+00 
 24  RADE  H3'  24  RADE  H5"   3.30    1.00E+00
 24  RADE  H4'  24  RADE  H5'   2.70    1.00E+00
 24  RADE  H4'  24  RADE  H5"   2.70    1.00E+00

#A25 
 25  RADE  H8   25  RADE  H2'   3.80    1.00E+00
 25  RADE  H8   25  RADE  H3'   3.30    1.00E+00 
 25  RADE  H3'  25  RADE  H5"   3.30    1.00E+00
 25  RADE  H4'  25  RADE  H5'   2.70    1.00E+00
 25  RADE  H4'  25  RADE  H5"   2.70    1.00E+00 

#G26 
 26  RGUA  H8   26  RGUA  H2'   3.80    1.00E+00
 26  RGUA  H8   26  RGUA  H3'   3.30 1.00E+00
 26  RGUA  H3'  26  RGUA  H5"   3.30    1.00E+00
 26  RGUA  H4'  26  RGUA  H5'   2.70 1.00E+00
 26  RGUA  H4'  26  RGUA  H5"   2.70 1.00E+00

#######  LOWER BULGE #######
#A27
 27  RADE  H8   27  RADE  H2'   3.80    1.00E+00
 27  RADE  H8   27  RADE  H3'   3.30    1.00E+00 
 27  RADE  H3'  27  RADE  H5"   3.30    1.00E+00
 27  RADE  H4'  27  RADE  H5'   2.70    1.00E+00
 27  RADE  H4'  27  RADE  H5"   2.70    1.00E+00

#G28
 28  RGUA  H8   28  RGUA  H2'   3.80    1.00E+00
 28  RGUA  H8   28  RGUA  H3'   3.30 1.00E+00
 28  RGUA  H3'  28  RGUA  H5"   3.30    1.00E+00
 28  RGUA  H4'  28  RGUA  H5'   2.70 1.00E+00
 28  RGUA  H4'  28  RGUA  H5"   2.70 1.00E+00

#G29 
 29  RGUA  H8   29  RGUA  H2'   3.80    1.00E+00
 29  RGUA  H8   29  RGUA  H3'   3.30 1.00E+00
 29  RGUA  H4'  29  RGUA  H1'   2.70 1.00E+00
#29  RGUA  H4'  29  RGUA  H5"   2.70 1.00E+00

######## END LOWER BULGE #######
#C30
 30  RCYT  H6   30  RCYT  H2'   3.80    1.00E+00
 30  RCYT  H6   30  RCYT  H3'   3.30    1.00E+00
 30  RCYT  H3'  30  RCYT  H5"   3.30    1.00E+00
 30  RCYT  H4'  30  RCYT  H5'   2.70    1.00E+00 
 30  RCYT  H4'  30  RCYT  H5"   2.70    1.00E+00 

#G31 
 31  RGUA  H8   31  RGUA  H2'   3.80    1.00E+00
 31  RGUA  H8   31  RGUA  H3'   3.30 1.00E+00
 31  RGUA  H3'  31  RGUA  H5"   3.30    1.00E+00
 31  RGUA  H4'  31  RGUA  H5'   2.70 1.00E+00
 31  RGUA  H4'  31  RGUA  H5"   2.70 1.00E+00

#A32 
 32  RADE  H8   32  RADE  H2'   3.80    1.00E+00
 32  RADE  H8   32  RADE  H3'   3.30    1.00E+00 
 32  RADE  H3'  32  RADE  H5"   3.30    1.00E+00
 32  RADE  H4'  32  RADE  H5'   2.70    1.00E+00
 32  RADE  H4'  32  RADE  H5"   2.70    1.00E+00


#G33 
 33  RGUA  H8   33  RGUA  H2'   3.80    1.00E+00
 33  RGUA  H8   33  RGUA  H3'   3.30 1.00E+00
 33  RGUA  H3'  33  RGUA  H5"   3.30    1.00E+00
 33  RGUA  H4'  33  RGUA  H5'   2.70 1.00E+00
 33  RGUA  H4'  33  RGUA  H5"   2.70 1.00E+00

#U34
 34  URA  H6   34   URA   H2'   3.80    1.00E+00
 34  URA  H6   34   URA   H3'   3.30    1.00E+00
 34  URA  H3'  34   URA   H5"   3.30    1.00E+00
 34  URA  H4'  34   URA   H5'   2.70    1.00E+00 
 34  URA  H4'  34   URA   H5"   2.70    1.00E+00 

#C35
 35  RCYT  H6   35  RCYT  H2'   3.80    1.00E+00
 35  RCYT  H6   35  RCYT  H3'   3.30    1.00E+00
 35  RCYT  H3'  35  RCYT  H5"   3.30    1.00E+00
 35  RCYT  H4'  35  RCYT  H5'   2.70    1.00E+00 
 35  RCYT  H4'  35  RCYT  H5"   2.70    1.00E+00 

#C36
 36  RCYT  H6   36  RCYT  H2'   3.80    1.00E+00
 36  RCYT  H6   36  RCYT  H3'   3.30    1.00E+00
 36  RCYT  H3'  36  RCYT  H5"   3.30    1.00E+00
 36  RCYT  H4'  36  RCYT  H5'   2.70    1.00E+00 
 36  RCYT  H4'  36  RCYT  H5"   2.70    1.00E+00 

#-------END INTRARESIDUE-------------------------

#------BEGIN LOWER LEFT STEM SEQUENTIAL NOES-----

#G2-G1
 2  RGUA  H8   1  RGUA  H2'    2.70 1.00E+00
 2  RGUA  H8   1  RGUA  H3'    3.30 1.00E+00
 2  RGUA  H8    1  RGUA  H1'    5.00    1.00E+00 #obs in 2d ROESY

#A3-G2
 3  RADE  H8   2  RGUA  H2'    2.70 1.00E+00
 3  RADE  H8   2  RGUA  H3'    3.30 1.00E+00
 3  RADE  H2    4  RCYT  H1'    5.00    1.00E+00
 3  RADE  H2   35  RCYT  H1'    5.00    1.00E+00

#C4-A3
 4  RCYT   H6   3  RADE  H2'    2.70 1.00E+00
 4  RCYT   H6   3  RADE  H3'    3.30 1.00E+00
 4  RCYT   H5   3  RADE  H8     5.00    1.00E+00

#U5-C4
 5  URA  H6   4  RCYT   H2'   2.70 1.00E+00
 5  URA  H6   4  RCYT   H3'   3.30 1.00E+00
 5  URA  H6   4  RCYT   H6    5.00 1.00E+00
 5  URA  H5   4  RCYT   H6    5.00    1.00E+00

#C6-U5
 6  RCYT  H6   5  URA  H2'    2.70 1.00E+00
 6  RCYT  H6   5  URA  H3'    3.30 1.00E+00
 6  RCYT  H5    5  URA  H6      5.00    1.00E+00

#G7-C6
 7  RGUA   H8   6  RCYT  H2'    2.70 1.00E+00
 7  RGUA   H8  6  RCYT  H3'    3.30 1.00E+00
 7  RGUA   H8   6  RCYT  H6    5.00 1.00E+00

#-------END LOWER LEFT STEM SEQUENTIAL NOES-----

#-------BEGIN LEFT BULGE------------------------


#G8-G7
 8  RGUA  H8   7  RGUA   H2'   2.70 1.00E+00
 8  RGUA  H8   7  RGUA   H3'   3.30 1.00E+00

#C9-G8
 9  RCYT  H6   8  RGUA  H2' 2.70 1.00E+00
 9  RCYT  H6   8  RGUA  H3' 3.30 1.00E+00
 9  RCYT  H6 8  RGUA  H8 5.00 1.00E+00
 9  RCYT  H5    8  RGUA  H8     5.00    1.00E+00
 9  RCYT  H6    8  RGUA  H1'    5.00    1.00E+00 #obs in 2d ROESY

#-------END LEFT BULGE--------------------------

#-------BEGIN UPPER LEFT STEM SEQUENTIAL NOES---

#U10-C9
 10  URA   H6    9  RCYT  H2'     2.70    1.00E+00
 10  URA   H6    9  RCYT  H3'     3.30    1.00E+00
 10  URA   H6    9  RCYT  H6      5.00    1.00E+00
 10  URA   H5    9  RCYT  H6      5.00    1.00E+00

#U11-U10
 11  URA   H6    10  URA  H2'     2.70    1.00E+00
 11  URA   H6    10  URA  H3'     3.30    1.00E+00
 11  URA   H5    10  URA  H6      5.00    1.00E+00

#G12-U11   
 12  RGUA   H8    11  URA  H2'     2.70    1.00E+00
 12  RGUA   H8    11  URA  H3'     3.30    1.00E+00
 12  RGUA   H8    11  URA  H6      5.00    1.00E+00

#C13-G12
 13  RCYT   H6    12  RGUA  H2'     2.70    1.00E+00
 13  RCYT   H6    12  RGUA  H3'     3.30    1.00E+00
 13  RCYT   H6    12  RGUA  H8      5.00    1.00E+00
 13  RCYT   H5    12  RGUA  H8      5.00    1.00E+00

#U14-C13
 14  URA   H6    13  RCYT  H2'     2.70    1.00E+00
 14  URA   H6    13  RCYT  H3'     3.30    1.00E+00
 14  URA   H6    13  RCYT  H6      5.00    1.00E+00
 14  URA   H5    13  RCYT  H6      5.00    1.00E+00

#G15-U14
 15  RGUA  H8   14  URA  H2' 2.70 1.00E+00  
 15  RGUA  H8   14  URA  H3' 3.30 1.00E+00

#-------END UPPER LEFT STEM SEQUENTIAL NOES------

#-------BEGIN LOOP SEQUENTIAL NOES---------------

#G16-G15
 16  RGUA  H8   15  RGUA  H2'   2.70 1.00E+00
 16  RGUA  H8   15  RGUA  H3'   3.30 1.00E+00
 16  RGUA  H8   15  RGUA  H8    5.00 1.00E+00

#A17-G16
 17  RADE  H5"  16  RGUA  H2'   3.30    1.00E+00
 17  RADE  H5"  16  RGUA  H3'   3.30    1.00E+00
 17  RADE  H3' 16  RGUA  H2'   5.00    1.00E+00
 17  RADE  H2   18  RGUA  H1'   5.00    1.00E+00

#G18-A17
 18  RGUA  H8   17  RADE  H2'   3.30    1.00E+00
 18  RGUA  H8   17  RADE  H3'   3.30    1.00E+00

#A19-G18
 19  RADE  H8   18  RGUA  H2'   3.30 1.00E+00
 19  RADE  H8   18  RGUA  H3'   5.00 1.00E+00
 19  RADE  H2   18  RGUA  H1'   5.00 1.00E+00 #Unusual

#C20-A19  
 20  RCYT  H6   19  RADE  H2'   5.00 1.00E+00
 20  RCYT  H6   19  RADE  H3'   3.30 1.00E+00 
 20  RCYT  H6   19  RADE  H8    5.00 1.00E+00
 20  RCYT  H1'  19  RADE  H8    5.00 1.00E+00 #Unusual
#------END LOOP NOES----------------------------

#------BEGIN UPPER RIGHT STEM NOES--------------

#G21-C20
 21  RGUA  H8   20  RCYT   H2'   2.70    1.00E+00  
 21  RGUA  H8   20  RCYT   H3'   3.30    1.00E+00    

#G22-G21 
 22  RGUA  H8   21  RGUA   H2'  2.70    1.00E+00
 22  RGUA  H8   21  RGUA   H3'  3.30    1.00E+00

#C23-G22
 23  RCYT  H6   22  RGUA  H2'   2.70 1.00E+00
 23  RCYT  H6   22  RGUA  H3'   3.30 1.00E+00

#A24-C23
 24  RADE   H8  23  RCYT  H2'   2.70 1.00E+00
 24  RADE   H8  23  RCYT  H3'   3.30 1.00E+00
 24  RADE   H2  25  RADE  H1'   5.00    1.00E+00
 24  RADE   H2  12  RGUA  H1'   5.00    1.00E+00

#A25-A24
 25  RADE   H8  24  RADE   H2'   2.70    1.00E+00  
 25  RADE   H8  24  RADE   H3'   3.30    1.00E+00
 25  RADE   H2  26  RGUA   H1'   5.00    1.00E+00
 25  RADE   H2  11  URA    H1'   5.00    1.00E+00

#G26-A25
 26  RGUA  H8   25  RADE  H2'   2.70 1.00E+00
 26  RGUA  H8   25  RADE  H3'   3.30 1.00E+00

#------END RIGHT UPPER STEM NOEs----------------

#------BEGIN RIGHT BULGE NOES-------------------

#A27-G26
 27  RADE  H8   26  RGUA  H2'   2.70 1.00E+00
 27  RADE  H8   26  RGUA  H3'   3.30 1.00E+00
 27  RADE  H8   26  RGUA  H8   5.00 1.00E+00
 27  RADE  H2   28  RGUA  H1'  5.00    1.00E+00
 27  RADE  H2    9  RCYT  H1'   5.00    1.00E+00

#G28-A27
 28  RGUA  H8   27  RADE  H2'   2.70 1.00E+00
 28  RGUA  H8   27  RADE  H3'   3.30 1.00E+00
 28  RGUA  H8   27  RADE  H1'   5.00    1.00E+00 #obs in 2d ROESY

#G29-G28
 29  RGUA  H8   28  RGUA  H2'   2.70    1.00E+00 
 29  RGUA  H8   28  RGUA  H3'   3.30    1.00E+00 #ov w/water,sd to 4'

#C30-G29
 30  RCYT  H6   29  RGUA  H1'   5.00 1.00E+00 #obs in ROESY
 30  RCYT  H6   29  RGUA  H3'   3.30    1.00E+00
 30  RCYT  H5   29  RGUA  H2'   3.30    1.00E+00 
 30  RCYT  H5   29  RGUA  H1'   5.00 1.00E+00 #strong for sd 
 30  RCYT  H6   29  RGUA  H2'   2.70    1.00E+00 #str-med
 30  RCYT  H5"  29  RGUA  H3'   5.00    1.00E+00
 30  RCYT  H5"  29  RGUA  H1'   5.00    1.00E+00
 30  RCYT  H5"  29  RGUA  H4'   5.00    1.00E+00

#-----END RIGHT BULGE NOEs----------------------
#-----BEGIN LOWER RIGHT STEM NOES---------------

#G31-C30
 31  RGUA  H8   30  RCYT  H2'   2.70 1.00E+00
 31  RGUA  H8   30  RCYT  H3'   3.30 1.00E+00
 31  RGUA  H8   30  RCYT  H6    5.00 1.00E+00 #G-H8 sees C-H6 only

#A32-G31
 32  RADE  H8   31  RGUA   H2'   2.70    1.00E+00
 32  RADE  H8   31  RGUA   H3'   3.30    1.00E+00
 32  RADE  H8   31  RGUA   H8    5.00    1.00E+00
 32  RADE  H2    6  RCYT   H1'   5.00    1.00E+00
 32  RADE  H2   33  RGUA   H1'   5.00    1.00E+00

#G33-A32
 33  RGUA  H8   32  RADE  H2'   2.70 1.00E+00
 33  RGUA  H8   32  RADE  H3'   3.30 1.00E+00
 33  RGUA  H8   32  RADE  H8    5.00 1.00E+00

#U34-G33
 34  URA  H6   33  RGUA  H2'   2.70 1.00E+00
 34  URA  H6   33  RGUA  H3'   3.30 1.00E+00
 34  URA  H6   33  RGUA  H8    5.00 1.00E+00 
 34  URA  H5    33  RGUA  H8    5.00    1.00E+00

#C35-U34
 35  RCYT   H6  34  URA  H2'   2.70 1.00E+00
 35  RCYT   H6  34  URA  H3'   3.30 1.00E+00
 35  RCYT   H6  34  URA  H6    5.00 1.00E+00
 35  RCYT   H5  34  URA  H6    5.00     1.00E+00

#C36-C35
 36  RCYT  H6   35  RCYT   H2'   2.70    1.00E+00  
 36  RCYT  H6   35  RCYT   H3'   3.30    1.00E+00
 36  RCYT  H6   35  RCYT   H6    5.00    1.00E+00
 36  RCYT  H5   35  RCYT   H6    5.00    1.00E+00

#------END LOWER RIGHT STEM NOES---------------
#______________________________________________
#      END UPPER LIMIT RESTRAINTS
#----------------------------------------------

#----------------------------------------------
# SL1m LOWER LIMIT RESTRAINTS
#----------------------------------------------

#G1-C36
 1 RGUA H1   36 RCYT N3      1.80  1.00E+00
 1 RGUA N1   36 RCYT N3      2.90  1.00E+00
 1 RGUA H21  36 RCYT O2      1.80  1.00E+00
 1 RGUA N2   36 RCYT O2      2.90  1.00E+00
 1 RGUA O6   36 RCYT H41     1.80  1.00E+00
 1 RGUA O6   36 RCYT N4      2.90  1.00E+00

#G2-C35
 2 RGUA H1   35 RCYT N3      1.80  1.00E+00
 2 RGUA N1   35 RCYT N3      2.90  1.00E+00
 2 RGUA H21  35 RCYT O2      1.80  1.00E+00
 2 RGUA N2   35 RCYT O2      2.90  1.00E+00
 2 RGUA O6   35 RCYT H41     1.80  1.00E+00
 2 RGUA O6   35 RCYT N4      2.90  1.00E+00

#A3-U34
 3 RADE  N1  34 URA H3      1.80  1.00E+00
 3 RADE  N1  34 URA N3      2.90  1.00E+00
 3 RADE  H61 34 URA O4      1.80  1.00E+00
 3 RADE  N6  34 URA O4      2.90  1.00E+00

#C4-G33
 4 RCYT N3   33 RGUA H1      1.80  1.00E+00
 4 RCYT N3   33 RGUA N1      2.90  1.00E+00
 4 RCYT O2   33 RGUA H21     1.80  1.00E+00
 4 RCYT O2   33 RGUA N2      2.90  1.00E+00
 4 RCYT H41  33 RGUA O6      1.80  1.00E+00
 4 RCYT N4   33 RGUA O6      2.90  1.00E+00
 
#U5-A32
 5 URA  H3   32 RADE N1      1.80  1.00E+00
 5 URA  N3   32 RADE N1      2.90  1.00E+00
 5 URA  O4   32 RADE H61     1.80  1.00E+00
 5 URA  O4   32 RADE N6      2.90  1.00E+00

#C6-G31
 6 RCYT N3   31 RGUA H1      1.80  1.00E+00
 6 RCYT N3   31 RGUA N1      2.90  1.00E+00
 6 RCYT O2   31 RGUA H21     1.80  1.00E+00
 6 RCYT O2   31 RGUA N2      2.90  1.00E+00
 6 RCYT H41  31 RGUA O6      1.80  1.00E+00
 6 RCYT N4   31 RGUA O6      2.90  1.00E+00

#G7-C30
 7 RGUA H1   30 RCYT N3      1.80  1.00E+00
 7 RGUA N1   30 RCYT N3      2.90  1.00E+00
 7 RGUA H21  30 RCYT O2      1.80  1.00E+00
 7 RGUA N2   30 RCYT O2      2.90  1.00E+00
 7 RGUA O6   30 RCYT H41     1.80  1.00E+00
 7 RGUA O6   30 RCYT N4      2.90  1.00E+00

#G8-A27
 8 RGUA O6   27 RADE H61     1.80  1.00E+00
 8 RGUA O6   27 RADE N6      2.90  1.00E+00
 8 RGUA H1   27 RADE N1      1.80  1.00E+00
 8 RGUA N1   27 RADE N1      2.90  1.00E+00
 
#G28     Bulge

#G29  Bulge

#C9-G26
 9 RCYT N3   26 RGUA H1      1.80  1.00E+00
 9 RCYT N3   26 RGUA N1      2.90  1.00E+00
 9 RCYT O2   26 RGUA H21     1.80  1.00E+00
 9 RCYT O2   26 RGUA N2      2.90  1.00E+00
 9 RCYT H41  26 RGUA O6      1.80  1.00E+00
 9 RCYT N4   26 RGUA O6      2.90  1.00E+00

#U10-A25
 10 URA  H3   25 RADE N1      1.80  1.00E+00
 10 URA  N3   25 RADE N1      2.90  1.00E+00
 10 URA  O4   25 RADE H61     1.80  1.00E+00
 10 URA  O4   25 RADE N6      2.90  1.00E+00

#U11-A24
 11 URA  H3   24 RADE N1      1.80  1.00E+00
 11 URA  N3   24 RADE N1      2.90  1.00E+00
 11 URA  O4   24 RADE H61     1.80  1.00E+00
 11 URA  O4   24 RADE N6      2.90  1.00E+00

#G12-C23
 12 RGUA H1   23 RCYT N3      1.80  1.00E+00
 12 RGUA N1   23 RCYT N3      2.90  1.00E+00
 12 RGUA H21  23 RCYT O2      1.80  1.00E+00
 12 RGUA N2   23 RCYT O2      2.90  1.00E+00
 12 RGUA O6   23 RCYT H41     1.80  1.00E+00
 12 RGUA O6   23 RCYT N4      2.90  1.00E+00

#C13-G22
 13 RCYT N3   22 RGUA H1      1.80  1.00E+00
 13 RCYT N3   22 RGUA N1      2.90  1.00E+00
 13 RCYT O2   22 RGUA H21     1.80  1.00E+00
 13 RCYT O2   22 RGUA N2      2.90  1.00E+00
 13 RCYT H41  22 RGUA O6      1.80  1.00E+00
 13 RCYT N4   22 RGUA O6      2.90  1.00E+00

#--------------------------------------------
# Symmetric GU wobble bases
#--------------------------------------------
#U14-G21
 14 URA H3    21 RGUA O6     1.80  1.00E+00
 14 URA N3    21 RGUA O6     2.90  1.00E+00
 14 URA O2    21 RGUA H1     1.80  1.00E+00
 14 URA O2    21 RGUA N1     2.90  1.00E+00

#--------------------------------------------

#G15-C20
 15 RGUA H1   20 RCYT N3      1.80  1.00E+00
 15 RGUA N1   20 RCYT N3      2.90  1.00E+00
 15 RGUA H21  20 RCYT O2      1.80  1.00E+00
 15 RGUA N2   20 RCYT O2      2.90  1.00E+00
 15 RGUA O6   20 RCYT H41     1.80  1.00E+00
 15 RGUA O6   20 RCYT N4      2.90  1.00E+00


#--------------------------------------------
#  GNRA loop H-bonds
#--------------------------------------------

#G16-A19
 16 RGUA H22   19 RADE N7      1.80  1.00E+00
 16 RGUA N2    19 RADE N7      2.90  1.00E+00
 16 RGUA O2'   19 RADE H61     1.80  1.00E+00
 16 RGUA O2'   19 RADE N6      2.90  1.00E+00

#--------------------------------------------
# END OF LOWER LIMIT RESTRAINTS
#--------------------------------------------

#--------------------------------------------
# DIPOLAR COUPLING (ORIENTATIONAL) RESTRAINTS
#--------------------------------------------

 1  RGUA  H8     34.532  2.50 
 1  RGUA  H2'    16.093  2.50
 2  RGUA  H8  25.842  2.50
 2  RGUA  H1'   -26.252  2.50
 7  RGUA  H8  24.912  2.50
12  RGUA  H8     17.10   2.50
12  RGUA  H1'    1.1     2.50
12  RGUA  H3'    29.100  2.50 
15  RGUA  H8     17.10   2.50
15  RGUA  H1'   -21.1    2.50
31  RGUA  H8  25.991  2.50
16  RGUA  H8     10.076  2.50
18  RGUA  H1'    2.890   2.50
18  RGUA  H8     16.00  2.50
33  RGUA  H8   44.303  2.50
21  RGUA  H3'  20.125  2.50
21  RGUA  H8     16.00   2.50
21  RGUA  H1'   -34.3    2.50
22  RGUA  H1'   -21.8    2.50
22  RGUA  H8     18.363  2.50
26  RGUA  H8     36.984  2.50
26  RGUA  H1'   -13.971  2.50
26  RGUA  H2' -2.405   2.50
26  RGUA  H3'   14.262  2.50
33  RGUA  H3'   -0.923   2.50
33  RGUA  H1'   -40.104  2.50

#---------------------------------------------
#  END OF DIPOLAR COUPLING RESTRAINTS
#---------------------------------------------

#---------------------------------------------
#  TORSION ANGLE RESTRAINTS
#---------------------------------------------

#G1  RGUA
 1   RGUA  ALPHA  -83.0  -53.0  1.00E+00
 1   RGUA  BETA   153.0  183.0  1.00E+00
 1   RGUA  GAMMA   39.0   69.0  1.00E+00
 1   RGUA  EPSI  -168.0 -138.0  1.00E+00

#G2  RGUA
 2   RGUA  ALPHA  -83.0  -53.0  1.00E+00
 2   RGUA  BETA   153.0  183.0  1.00E+00
 2   RGUA  GAMMA   39.0   69.0  1.00E+00
 2   RGUA  EPSI  -168.0 -138.0  1.00E+00
 2   RGUA  ZETA   -86.0  -56.0  1.00E+00

#A3  RADE
 3   RADE  ALPHA  -83.0  -53.0  1.00E+00
 3   RADE  BETA   153.0  183.0  1.00E+00
 3   RADE  GAMMA   39.0   69.0  1.00E+00
 3   RADE  EPSI  -168.0 -138.0  1.00E+00
 3   RADE  ZETA   -86.0  -56.0  1.00E+00

#C4  RCYT
 4   RCYT  ALPHA  -83.0  -53.0  1.00E+00
 4   RCYT  BETA   153.0  183.0  1.00E+00
 4   RCYT  GAMMA   39.0   69.0  1.00E+00
 4   RCYT  EPSI  -168.0 -138.0  1.00E+00
 4   RCYT  ZETA   -86.0  -56.0  1.00E+00

#U5  URA 
 5   URA   ALPHA  -83.0  -53.0  1.00E+00
 5   URA   BETA   153.0  183.0  1.00E+00
 5   URA   GAMMA   39.0   69.0  1.00E+00
 5   URA   EPSI  -168.0 -138.0  1.00E+00
 5   URA   ZETA   -86.0  -56.0  1.00E+00

#C6 RCYT
 6   RCYT  ALPHA  -83.0  -53.0  1.00E+00
 6   RCYT  BETA   153.0  183.0  1.00E+00
 6   RCYT  GAMMA   39.0   69.0  1.00E+00
 6   RCYT  EPSI  -168.0 -138.0  1.00E+00
 6   RCYT  ZETA   -86.0  -56.0  1.00E+00
 
#G7 RGUA
 7   RGUA  ALPHA  -83.0  -53.0  1.00E+00
 7   RGUA  BETA   153.0  183.0  1.00E+00
 7   RGUA  GAMMA   39.0   69.0  1.00E+00
 7   RGUA  ZETA   -86.0  -56.0  1.00E+00 

#BULGE

#G8 RGUA

#END BULGE

#C9  RCYT
 9   RCYT  EPSI  -168.0 -138.0  1.00E+00

#U10 URA 
 10  URA   ALPHA  -83.0  -53.0  1.00E+00
 10  URA   BETA   153.0  183.0  1.00E+00
 10  URA   GAMMA   39.0   69.0  1.00E+00
 10  URA   EPSI  -168.0 -138.0  1.00E+00
 10  URA   ZETA   -86.0  -56.0  1.00E+00

#U11 URA 
 11  URA   ALPHA  -83.0  -53.0  1.00E+00
 11  URA   BETA   153.0  183.0  1.00E+00
 11  URA   GAMMA   39.0   69.0  1.00E+00
 11  URA   EPSI  -168.0 -138.0  1.00E+00
 11  URA   ZETA   -86.0  -56.0  1.00E+00

#G12 RGUA
 12  RGUA  ALPHA  -83.0  -53.0  1.00E+00
 12  RGUA  BETA   153.0  183.0  1.00E+00
 12  RGUA  GAMMA   39.0   69.0  1.00E+00
 12  RGUA  EPSI  -168.0 -138.0  1.00E+00
 12  RGUA  ZETA   -86.0  -56.0  1.00E+00

#C13 RCYT
 13  RCYT  ALPHA  -83.0  -53.0  1.00E+00
 13  RCYT  BETA   153.0  183.0  1.00E+00
 13  RCYT  GAMMA   39.0   69.0  1.00E+00
 13  RCYT  EPSI  -168.0 -138.0  1.00E+00
 13  RCYT  ZETA   -86.0  -56.0  1.00E+00

#U14 URA 
 14  URA   ALPHA  -83.0  -53.0  1.00E+00
 14  URA   BETA   153.0  183.0  1.00E+00
 14  URA   GAMMA   39.0   69.0  1.00E+00
 14  URA   EPSI  -168.0 -138.0  1.00E+00
 14  URA   ZETA   -86.0  -56.0  1.00E+00

#G15 RGUA
15  RGUA  ALPHA  -83.0  -53.0  1.00E+00
15  RGUA  BETA   153.0  183.0  1.00E+00
15  RGUA  GAMMA   39.0   69.0  1.00E+00
15  RGUA  ZETA   -86.0  -56.0  1.00E+00

#LOOP

#G16 RGUA

#A17 RADE

#G18

#A19 RADE

#END LOOP

#C20 RCYT
 20  RCYT  EPSI     -168.0 -138.0  1.00E+00

#G21 RGUA
 21  RGUA  ALPHA  -83.0  -53.0  1.00E+00
 21  RGUA  BETA   153.0  183.0  1.00E+00
 21  RGUA  GAMMA   39.0   69.0  1.00E+00
 21  RGUA  EPSI  -168.0 -138.0  1.00E+00
 21  RGUA  ZETA   -86.0  -56.0  1.00E+00

#G22 RGUA
 22  RGUA  ALPHA  -83.0  -53.0  1.00E+00
 22  RGUA  BETA   153.0  183.0  1.00E+00
 22  RGUA  GAMMA   39.0   69.0  1.00E+00
 22  RGUA  EPSI  -168.0 -138.0  1.00E+00
 22  RGUA  ZETA   -86.0  -56.0  1.00E+00

#C23 RCYT
 23  RCYT  ALPHA  -83.0  -53.0  1.00E+00
 23  RCYT  BETA   153.0  183.0  1.00E+00
 23  RCYT  GAMMA   39.0   69.0  1.00E+00
 23  RCYT  EPSI  -168.0 -138.0  1.00E+00
 23  RCYT  ZETA   -86.0  -56.0  1.00E+00
 
#A24 RADE
 24  RADE  ALPHA  -83.0  -53.0  1.00E+00
 24  RADE  BETA   153.0  183.0  1.00E+00
 24  RADE  GAMMA   39.0   69.0  1.00E+00
 24  RADE  EPSI  -168.0 -138.0  1.00E+00
 24  RADE  ZETA   -86.0  -56.0  1.00E+00

#A25 RADE
 25  RADE  ALPHA  -83.0  -53.0  1.00E+00
 25  RADE  BETA   153.0  183.0  1.00E+00
 25  RADE  GAMMA   39.0   69.0  1.00E+00
 25  RADE  EPSI  -168.0 -138.0  1.00E+00
 25  RADE  ZETA   -86.0  -56.0  1.00E+00

#G26 RGUA
 26  RGUA  ALPHA  -83.0  -53.0  1.00E+00
 26  RGUA  BETA   153.0  183.0  1.00E+00
 26  RGUA  GAMMA   39.0   69.0  1.00E+00
 26  RGUA  ZETA   -86.0  -56.0  1.00E+00

#BULGE

#A27 RADE 

#G28 RGUA
 
#G29 

#END BULGE

#C30 RCYT
 30  RCYT  EPSI  -168.0 -138.0  1.00E+00

#G31 RGUA
 31  RGUA  ALPHA  -83.0  -53.0  1.00E+00
 31  RGUA  BETA   153.0  183.0  1.00E+00
 31  RGUA  GAMMA   39.0   69.0  1.00E+00
 31  RGUA  EPSI  -168.0 -138.0  1.00E+00
 31  RGUA  ZETA   -86.0  -56.0  1.00E+00

#A32 RADE
 32  RADE  ALPHA  -83.0  -53.0  1.00E+00
 32  RADE  BETA   153.0  183.0  1.00E+00
 32  RADE  GAMMA   39.0   69.0  1.00E+00
 32  RADE  EPSI  -168.0 -138.0  1.00E+00
 32  RADE  ZETA   -86.0  -56.0  1.00E+00

#G33 RGUA
 33  RGUA  ALPHA  -83.0  -53.0  1.00E+00
 33  RGUA  BETA   153.0  183.0  1.00E+00
 33  RGUA  GAMMA   39.0   69.0  1.00E+00
 33  RGUA  EPSI  -168.0 -138.0  1.00E+00
 33  RGUA  ZETA   -86.0  -56.0  1.00E+00

#U34 URA 
 34  URA   ALPHA  -83.0  -53.0  1.00E+00
 34  URA   BETA   153.0  183.0  1.00E+00
 34  URA   GAMMA   39.0   69.0  1.00E+00
 34  URA   EPSI  -168.0 -138.0  1.00E+00
 34  URA   ZETA   -86.0  -56.0  1.00E+00

#C35 RCYT
 35  RCYT  ALPHA  -83.0  -53.0  1.00E+00
 35  RCYT  BETA   153.0  183.0  1.00E+00
 35  RCYT  GAMMA   39.0   69.0  1.00E+00
 35  RCYT  EPSI  -168.0 -138.0  1.00E+00
 35  RCYT  ZETA   -86.0  -56.0  1.00E+00


#C36 RCYT
 36  RCYT  ALPHA  -83.0  -53.0  1.00E+00
 36  RCYT  BETA   153.0  183.0  1.00E+00
 36  RCYT  GAMMA   39.0   69.0  1.00E+00 
 36  RCYT  ZETA   -86.0  -56.0  1.00E+00



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   2.893  -1.301  -2.633
    2   2H5*    G   1          2H5*        G   1   3.968  -2.048  -1.451
    3    H4*    G   1           H4*        G   1   4.944  -1.779  -3.729
    4    H3*    G   1           H3*        G   1   6.312  -0.487  -1.363
    5    H2*    G   1           H2*        G   1   8.072   0.125  -2.757
    6   2HO*    G   1          2HO*        G   1   7.070  -2.185  -3.963
    7    H1*    G   1           H1*        G   1   6.503   0.580  -5.074
    8    H8     G   1           H8         G   1   4.836   2.170  -2.186
    9    H1     G   1           H1         G   1   9.760   5.688  -4.479
   10   1H2     G   1          1H2         G   1  10.858   4.553  -5.805
   11   2H2     G   1          2H2         G   1  10.499   2.895  -6.232
   12   1H5*    G   2          1H5*        G   2   9.463  -3.265  -2.726
   13   2H5*    G   2          2H5*        G   2  10.082  -3.947  -1.222
   14    H4*    G   2           H4*        G   2  11.916  -2.971  -2.360
   15    H3*    G   2           H3*        G   2  10.991  -1.294  -0.026
   16    H2*    G   2           H2*        G   2  12.880   0.092  -0.334
   17   2HO*    G   2          2HO*        G   2  13.991  -2.060  -0.868
   18    H1*    G   2           H1*        G   2  12.606   0.177  -3.140
   19    H8     G   2           H8         G   2   9.458   0.445  -1.036
   20    H1     G   2           H1         G   2  12.200   6.111  -2.540
   21   1H2     G   2          1H2         G   2  14.010   5.776  -3.469
   22   2H2     G   2          2H2         G   2  14.684   4.194  -3.792
   23   1H5*    A   3          1H5*        A   3  15.174  -2.289   1.112
   24   2H5*    A   3          2H5*        A   3  15.139  -2.403   2.871
   25    H4*    A   3           H4*        A   3  16.696  -0.684   2.054
   26    H3*    A   3           H3*        A   3  14.352   0.253   3.721
   27    H2*    A   3           H2*        A   3  15.400   2.368   3.855
   28   2HO*    A   3          2HO*        A   3  17.620   2.439   3.537
   29    H1*    A   3           H1*        A   3  16.108   2.437   1.143
   30    H8     A   3           H8         A   3  12.705   0.953   1.694
   31   1H6     A   3          1H6         A   3  10.487   6.774   1.313
   32   2H6     A   3          2H6         A   3  10.033   5.087   1.393
   33    H2     A   3           H2         A   3  14.924   6.982   1.427
   34   1H5*    C   4          1H5*        C   4  18.007   1.359   6.034
   35   2H5*    C   4          2H5*        C   4  17.573   1.059   7.717
   36    H4*    C   4           H4*        C   4  18.384   3.330   7.405
   37    H3*    C   4           H3*        C   4  15.504   2.993   8.212
   38    H2*    C   4           H2*        C   4  15.290   5.338   8.420
   39   2HO*    C   4          2HO*        C   4  17.863   4.957   8.949
   40    H1*    C   4           H1*        C   4  16.599   5.895   6.005
   41   1H4     C   4          1H4         C   4  10.379   5.897   4.537
   42   2H4     C   4          2H4         C   4  10.446   4.160   4.337
   43    H5     C   4           H5         C   4  12.349   2.852   4.830
   44    H6     C   4           H6         C   4  14.680   2.888   5.644
   45   1H5*    U   5          1H5*        U   5  17.386   5.729  10.735
   46   2H5*    U   5          2H5*        U   5  17.036   5.433  12.438
   47    H4*    U   5           H4*        U   5  16.613   7.747  11.873
   48    H3*    U   5           H3*        U   5  14.232   6.070  12.616
   49    H2*    U   5           H2*        U   5  12.827   7.964  12.461
   50   2HO*    U   5          2HO*        U   5  15.362   9.077  12.765
   51    H1*    U   5           H1*        U   5  13.907   8.853  10.035
   52    H3     U   5           H3         U   5   9.669   7.341   9.170
   53    H5     U   5           H5         U   5  12.088   3.924   9.082
   54    H6     U   5           H6         U   5  13.913   5.314   9.948
   55   1H5*    C   6          1H5*        C   6  14.455   9.525  15.020
   56   2H5*    C   6          2H5*        C   6  14.120   9.258  16.731
   57    H4*    C   6           H4*        C   6  12.744  11.051  15.941
   58    H3*    C   6           H3*        C   6  11.299   8.502  16.594
   59    H2*    C   6           H2*        C   6   9.222   9.513  16.096
   60   2HO*    C   6          2HO*        C   6   9.238  11.600  16.685
   61    H1*    C   6           H1*        C   6  10.136  10.705  13.718
   62   1H4     C   6          1H4         C   6   7.267   5.305  11.860
   63   2H4     C   6          2H4         C   6   8.749   4.431  12.181
   64    H5     C   6           H5         C   6  10.660   5.401  13.172
   65    H6     C   6           H6         C   6  11.631   7.469  14.108
   66   1H5*    G   7          1H5*        G   7   9.436  11.892  18.645
   67   2H5*    G   7          2H5*        G   7   9.287  11.470  20.350
   68    H4*    G   7           H4*        G   7   7.207  12.362  19.737
   69    H3*    G   7           H3*        G   7   7.196   9.396  20.023
   70    H2*    G   7           H2*        G   7   4.949   9.216  19.316
   71   2HO*    G   7          2HO*        G   7   4.144  11.657  18.826
   72    H1*    G   7           H1*        G   7   5.297  10.967  17.129
   73    H8     G   7           H8         G   7   8.167   8.597  17.541
   74    H1     G   7           H1         G   7   3.207   6.126  14.197
   75   1H2     G   7          1H2         G   7   1.587   7.395  14.330
   76   2H2     G   7          2H2         G   7   1.575   8.904  15.215
   77   1H5*    G   8          1H5*        G   8   2.405  10.065  21.326
   78   2H5*    G   8          2H5*        G   8   3.019   9.765  22.951
   79    H4*    G   8           H4*        G   8   1.244   8.177  22.011
   80    H3*    G   8           H3*        G   8   3.779   7.286  23.365
   81    H2*    G   8           H2*        G   8   3.081   5.034  23.194
   82   2HO*    G   8          2HO*        G   8   0.696   6.460  22.863
   83    H1*    G   8           H1*        G   8   2.259   5.254  20.525
   84    H8     G   8           H8         G   8   5.385   7.219  21.083
   85    H1     G   8           H1         G   8   6.444   0.913  20.082
   86   1H2     G   8          1H2         G   8   4.651  -0.104  20.138
   87   2H2     G   8          2H2         G   8   3.092   0.641  20.414
   88   1H5*    C   9          1H5*        C   9   0.820   5.035  24.906
   89   2H5*    C   9          2H5*        C   9   1.120   4.524  26.567
   90    H4*    C   9           H4*        C   9   1.102   2.671  24.913
   91    H3*    C   9           H3*        C   9   3.722   3.103  26.393
   92    H2*    C   9           H2*        C   9   4.227   0.883  25.755
   93   2HO*    C   9          2HO*        C   9   1.534   0.861  25.941
   94    H1*    C   9           H1*        C   9   3.214   1.168  23.154
   95   1H4     C   9          1H4         C   9   9.493   2.229  22.606
   96   2H4     C   9          2H4         C   9   9.227   3.903  23.040
   97    H5     C   9           H5         C   9   7.138   4.769  23.722
   98    H6     C   9           H6         C   9   4.767   4.237  24.159
   99   1H5*    U  10          1H5*        U  10   1.916  -0.372  27.425
  100   2H5*    U  10          2H5*        U  10   1.799  -0.729  29.147
  101    H4*    U  10           H4*        U  10   2.586  -2.703  28.179
  102    H3*    U  10           H3*        U  10   4.771  -1.153  29.514
  103    H2*    U  10           H2*        U  10   6.386  -2.766  28.897
  104   2HO*    U  10          2HO*        U  10   4.128  -4.200  28.981
  105    H1*    U  10           H1*        U  10   5.518  -2.954  26.243
  106    H3     U  10           H3         U  10   9.561  -0.837  26.100
  107    H5     U  10           H5         U  10   6.817   2.171  27.078
  108    H6     U  10           H6         U  10   5.130   0.411  27.339
  109   1H5*    U  11          1H5*        U  11   5.299  -5.116  30.371
  110   2H5*    U  11          2H5*        U  11   5.307  -5.429  32.107
  111    H4*    U  11           H4*        U  11   7.176  -6.560  31.251
  112    H3*    U  11           H3*        U  11   7.919  -4.006  32.637
  113    H2*    U  11           H2*        U  11  10.213  -4.401  32.228
  114   2HO*    U  11          2HO*        U  11   9.160  -6.885  32.214
  115    H1*    U  11           H1*        U  11   9.844  -5.115  29.544
  116    H3     U  11           H3         U  11  11.909  -1.087  29.262
  117    H5     U  11           H5         U  11   7.974  -0.133  30.333
  118    H6     U  11           H6         U  11   7.572  -2.536  30.613
  119   1H5*    G  12          1H5*        G  12  10.367  -6.719  34.076
  120   2H5*    G  12          2H5*        G  12  10.875  -6.580  35.759
  121    H4*    G  12           H4*        G  12  12.719  -6.241  34.164
  122    H3*    G  12           H3*        G  12  12.020  -3.768  35.790
  123    H2*    G  12           H2*        G  12  14.144  -3.002  35.184
  124   2HO*    G  12          2HO*        G  12  14.537  -5.609  35.556
  125    H1*    G  12           H1*        G  12  14.189  -4.054  32.608
  126    H8     G  12           H8         G  12  10.805  -2.766  33.689
  127    H1     G  12           H1         G  12  14.615   1.693  30.955
  128   1H2     G  12          1H2         G  12  16.502   0.910  30.675
  129   2H2     G  12          2H2         G  12  16.980  -0.714  31.117
  130   1H5*    C  13          1H5*        C  13  15.465  -5.243  37.204
  131   2H5*    C  13          2H5*        C  13  15.886  -5.009  38.901
  132    H4*    C  13           H4*        C  13  17.537  -3.922  37.575
  133    H3*    C  13           H3*        C  13  15.648  -1.978  38.910
  134    H2*    C  13           H2*        C  13  17.069  -0.221  38.218
  135   2HO*    C  13          2HO*        C  13  18.755  -2.478  37.674
  136    H1*    C  13           H1*        C  13  17.412  -1.212  35.622
  137   1H4     C  13          1H4         C  13  12.601   2.907  34.939
  138   2H4     C  13          2H4         C  13  11.519   1.799  35.753
  139    H5     C  13           H5         C  13  12.208  -0.249  36.707
  140    H6     C  13           H6         C  13  14.124  -1.751  37.120
  141   1H5*    U  14          1H5*        U  14  19.103  -0.824  39.900
  142   2H5*    U  14          2H5*        U  14  19.440  -0.348  41.564
  143    H4*    U  14           H4*        U  14  19.851   1.515  40.113
  144    H3*    U  14           H3*        U  14  17.351   1.848  41.788
  145    H2*    U  14           H2*        U  14  17.327   4.116  41.123
  146   2HO*    U  14          2HO*        U  14  19.719   3.874  39.659
  147    H1*    U  14           H1*        U  14  17.912   3.565  38.437
  148    H3     U  14           H3         U  14  13.592   4.925  38.267
  149    H5     U  14           H5         U  14  13.366   1.054  39.850
  150    H6     U  14           H6         U  14  15.815   1.065  39.965
  151   1H5*    G  15          1H5*        G  15  20.393   4.997  42.957
  152   2H5*    G  15          2H5*        G  15  20.308   5.036  44.718
  153    H4*    G  15           H4*        G  15  20.192   7.276  44.030
  154    H3*    G  15           H3*        G  15  17.558   6.168  44.897
  155    H2*    G  15           H2*        G  15  16.435   8.184  44.387
  156   2HO*    G  15          2HO*        G  15  18.774   9.083  45.045
  157    H1*    G  15           H1*        G  15  17.655   8.489  41.880
  158    H8     G  15           H8         G  15  16.753   4.928  42.723
  159    H1     G  15           H1         G  15  11.979   8.284  39.926
  160   1H2     G  15          1H2         G  15  12.517  10.270  39.796
  161   2H2     G  15          2H2         G  15  14.036  10.928  40.361
  162   1H5*    G  16          1H5*        G  16  16.733  10.207  47.733
  163   2H5*    G  16          2H5*        G  16  15.880   8.980  48.669
  164    H4*    G  16           H4*        G  16  14.653  10.959  47.336
  165    H3*    G  16           H3*        G  16  13.642   8.169  47.915
  166    H2*    G  16           H2*        G  16  11.558   8.818  47.005
  167   2HO*    G  16          2HO*        G  16  12.824  11.350  47.369
  168    H1*    G  16           H1*        G  16  12.696  10.143  44.804
  169    H8     G  16           H8         G  16  14.440   6.929  45.682
  170    H1     G  16           H1         G  16   9.356   6.181  41.749
  171   1H2     G  16          1H2         G  16   8.329   7.964  41.604
  172   2H2     G  16          2H2         G  16   8.778   9.441  42.427
  173   1H5*    A  17          1H5*        A  17  11.618   6.557  49.597
  174   2H5*    A  17          2H5*        A  17  10.726   6.772  48.092
  175    H4*    A  17           H4*        A  17   9.545   5.835  50.227
  176    H3*    A  17           H3*        A  17   8.287   7.940  48.433
  177    H2*    A  17           H2*        A  17   6.251   7.367  49.487
  178   2HO*    A  17          2HO*        A  17   7.855   5.104  49.963
  179    H1*    A  17           H1*        A  17   7.363   7.213  52.055
  180    H8     A  17           H8         A  17   9.066  10.119  50.784
  181   1H6     A  17          1H6         A  17   3.835  13.442  51.526
  182   2H6     A  17          2H6         A  17   5.556  13.554  51.230
  183    H2     A  17           H2         A  17   2.808   9.133  51.886
  184   1H5*    G  18          1H5*        G  18   4.090   6.186  47.630
  185   2H5*    G  18          2H5*        G  18   4.688   6.166  45.971
  186    H4*    G  18           H4*        G  18   2.972   7.927  46.511
  187    H3*    G  18           H3*        G  18   5.575   8.477  45.167
  188    H2*    G  18           H2*        G  18   5.216  10.808  45.148
  189   2HO*    G  18          2HO*        G  18   2.608   9.911  45.945
  190    H1*    G  18           H1*        G  18   4.366  10.966  47.802
  191    H8     G  18           H8         G  18   7.191   8.615  46.730
  192    H1     G  18           H1         G  18   9.092  14.254  49.275
  193   1H2     G  18          1H2         G  18   7.441  15.432  49.650
  194   2H2     G  18          2H2         G  18   5.788  14.962  49.323
  195   1H5*    A  19          1H5*        A  19   2.333  10.116  43.278
  196   2H5*    A  19          2H5*        A  19   2.015   9.813  41.571
  197    H4*    A  19           H4*        A  19   1.777  12.081  41.640
  198    H3*    A  19           H3*        A  19   4.452  11.356  40.703
  199    H2*    A  19           H2*        A  19   5.471  13.457  41.061
  200   2HO*    A  19          2HO*        A  19   3.662  15.026  42.060
  201    H1*    A  19           H1*        A  19   4.499  13.761  43.660
  202    H8     A  19           H8         A  19   5.901  10.652  41.883
  203   1H6     A  19          1H6         A  19  10.700  11.198  45.836
  204   2H6     A  19          2H6         A  19  10.053  10.253  44.513
  205    H2     A  19           H2         A  19   7.805  14.455  46.705
  206   1H5*    C  20          1H5*        C  20   5.191  13.107  35.700
  207   2H5*    C  20          2H5*        C  20   5.012  11.434  36.230
  208    H4*    C  20           H4*        C  20   6.780  13.553  37.469
  209    H3*    C  20           H3*        C  20   7.507  10.954  36.062
  210    H2*    C  20           H2*        C  20   9.689  11.468  36.812
  211   2HO*    C  20          2HO*        C  20   9.426  13.890  37.887
  212    H1*    C  20           H1*        C  20   8.867  12.382  39.322
  213   1H4     C  20          1H4         C  20  10.383   6.182  39.995
  214   2H4     C  20          2H4         C  20   8.678   5.817  39.858
  215    H5     C  20           H5         C  20   7.030   7.417  39.310
  216    H6     C  20           H6         C  20   6.608   9.786  38.754
  217   1H5*    G  21          1H5*        G  21   9.938  14.166  35.043
  218   2H5*    G  21          2H5*        G  21  10.314  14.280  33.324
  219    H4*    G  21           H4*        G  21  12.352  14.623  34.424
  220    H3*    G  21           H3*        G  21  12.106  11.906  33.221
  221    H2*    G  21           H2*        G  21  14.183  11.202  34.098
  222   2HO*    G  21          2HO*        G  21  14.648  13.714  33.748
  223    H1*    G  21           H1*        G  21  13.674  12.269  36.665
  224    H8     G  21           H8         G  21  10.679  10.548  35.233
  225    H1     G  21           H1         G  21  14.839   6.530  38.136
  226   1H2     G  21          1H2         G  21  16.582   7.541  38.574
  227   2H2     G  21          2H2         G  21  16.873   9.227  38.209
  228   1H5*    G  22          1H5*        G  22  16.083  12.905  32.041
  229   2H5*    G  22          2H5*        G  22  16.234  12.463  30.340
  230    H4*    G  22           H4*        G  22  17.857  11.311  31.797
  231    H3*    G  22           H3*        G  22  15.855   9.612  30.296
  232    H2*    G  22           H2*        G  22  17.103   7.709  30.935
  233   2HO*    G  22          2HO*        G  22  19.218   8.318  32.082
  234    H1*    G  22           H1*        G  22  17.457   8.587  33.589
  235    H8     G  22           H8         G  22  13.988   9.303  32.439
  236    H1     G  22           H1         G  22  14.818   3.204  34.436
  237   1H2     G  22          1H2         G  22  16.829   2.833  34.700
  238   2H2     G  22          2H2         G  22  18.101   4.001  34.422
  239   1H5*    C  23          1H5*        C  23  19.724   8.631  29.180
  240   2H5*    C  23          2H5*        C  23  19.980   8.384  27.453
  241    H4*    C  23           H4*        C  23  20.839   6.475  28.538
  242    H3*    C  23           H3*        C  23  18.197   5.972  27.197
  243    H2*    C  23           H2*        C  23  18.297   3.691  27.809
  244   2HO*    C  23          2HO*        C  23  20.467   3.150  28.940
  245    H1*    C  23           H1*        C  23  19.105   4.221  30.451
  246   1H4     C  23          1H4         C  23  12.790   3.434  30.904
  247   2H4     C  23          2H4         C  23  12.546   5.053  30.286
  248    H5     C  23           H5         C  23  14.293   6.448  29.523
  249    H6     C  23           H6         C  23  16.728   6.635  29.163
  250   1H5*    A  24          1H5*        A  24  21.203   2.979  26.112
  251   2H5*    A  24          2H5*        A  24  21.063   2.611  24.394
  252    H4*    A  24           H4*        A  24  21.069   0.560  25.625
  253    H3*    A  24           H3*        A  24  18.448   1.299  24.361
  254    H2*    A  24           H2*        A  24  17.476  -0.717  25.121
  255   2HO*    A  24          2HO*        A  24  20.173  -1.304  25.947
  256    H1*    A  24           H1*        A  24  18.505  -0.504  27.716
  257    H8     A  24           H8         A  24  17.464   2.846  26.419
  258   1H6     A  24          1H6         A  24  11.747   1.537  28.551
  259   2H6     A  24          2H6         A  24  12.754   2.799  27.878
  260    H2     A  24           H2         A  24  14.219  -2.142  28.852
  261   1H5*    A  25          1H5*        A  25  19.524  -2.711  23.439
  262   2H5*    A  25          2H5*        A  25  19.354  -3.048  21.717
  263    H4*    A  25           H4*        A  25  18.274  -4.802  22.889
  264    H3*    A  25           H3*        A  25  16.439  -2.895  21.503
  265    H2*    A  25           H2*        A  25  14.520  -4.031  22.285
  266   2HO*    A  25          2HO*        A  25  16.470  -5.905  23.282
  267    H1*    A  25           H1*        A  25  15.425  -4.225  24.926
  268    H8     A  25           H8         A  25  16.378  -0.931  23.433
  269   1H6     A  25          1H6         A  25  10.787   1.151  25.265
  270   2H6     A  25          2H6         A  25  12.333   1.634  24.604
  271    H2     A  25           H2         A  25  10.897  -3.251  25.865
  272   1H5*    G  26          1H5*        G  26  14.900  -6.753  20.648
  273   2H5*    G  26          2H5*        G  26  14.711  -6.909  18.902
  274    H4*    G  26           H4*        G  26  12.657  -7.523  19.975
  275    H3*    G  26           H3*        G  26  12.610  -4.974  18.398
  276    H2*    G  26           H2*        G  26  10.343  -4.623  18.910
  277   2HO*    G  26          2HO*        G  26  10.315  -7.176  20.203
  278    H1*    G  26           H1*        G  26  10.591  -5.379  21.620
  279    H8     G  26           H8         G  26  13.375  -3.210  20.286
  280    H1     G  26           H1         G  26   8.332   0.087  22.649
  281   1H2     G  26          1H2         G  26   6.792  -1.219  23.069
  282   2H2     G  26          2H2         G  26   6.857  -2.949  22.819
  283   1H5*    A  27          1H5*        A  27  10.653  -8.266  15.666
  284   2H5*    A  27          2H5*        A  27  10.191  -7.538  14.127
  285    H4*    A  27           H4*        A  27   8.346  -7.926  15.823
  286    H3*    A  27           H3*        A  27   8.781  -5.208  14.567
  287    H2*    A  27           H2*        A  27   6.705  -4.549  15.486
  288   2HO*    A  27          2HO*        A  27   6.336  -7.213  16.443
  289    H1*    A  27           H1*        A  27   7.193  -5.738  17.985
  290    H8     A  27           H8         A  27  10.260  -4.093  16.601
  291   1H6     A  27          1H6         A  27   8.273   1.154  19.335
  292   2H6     A  27          2H6         A  27   9.619   0.414  18.497
  293    H2     A  27           H2         A  27   5.035  -1.875  19.622
  294   1H5*    G  28          1H5*        G  28   5.198  -7.101  12.147
  295   2H5*    G  28          2H5*        G  28   4.669  -5.878  10.993
  296    H4*    G  28           H4*        G  28   3.091  -6.465  12.907
  297    H3*    G  28           H3*        G  28   3.824  -3.665  12.108
  298    H2*    G  28           H2*        G  28   2.390  -2.781  13.766
  299   2HO*    G  28          2HO*        G  28   1.568  -5.513  13.713
  300    H1*    G  28           H1*        G  28   3.271  -4.539  15.771
  301    H8     G  28           H8         G  28   6.149  -3.411  13.685
  302    H1     G  28           H1         G  28   4.490   0.826  18.288
  303   1H2     G  28          1H2         G  28   2.693   0.263  19.127
  304   2H2     G  28          2H2         G  28   1.773  -1.148  18.654
  305   1H5*    G  29          1H5*        G  29  -0.259  -4.435  10.000
  306   2H5*    G  29          2H5*        G  29  -0.530  -3.053   8.938
  307    H4*    G  29           H4*        G  29  -1.467  -2.889  11.281
  308    H3*    G  29           H3*        G  29   0.494  -0.639  10.764
  309    H2*    G  29           H2*        G  29  -1.163   0.544  11.965
  310   2HO*    G  29          2HO*        G  29  -3.098  -1.423  11.949
  311    H1*    G  29           H1*        G  29  -1.801  -1.606  13.646
  312    H8     G  29           H8         G  29   1.868  -1.167  12.806
  313    H1     G  29           H1         G  29  -0.083   2.003  18.100
  314   1H2     G  29          1H2         G  29  -2.133   1.866  18.268
  315   2H2     G  29          2H2         G  29  -3.170   1.019  17.142
  316   1H5*    C  30          1H5*        C  30  -2.650   1.388  11.580
  317   2H5*    C  30          2H5*        C  30  -3.266   1.436   9.928
  318    H4*    C  30           H4*        C  30  -3.742   3.571  10.372
  319    H3*    C  30           H3*        C  30  -0.854   3.636   9.692
  320    H2*    C  30           H2*        C  30  -0.538   5.828  10.504
  321   2HO*    C  30          2HO*        C  30  -2.376   6.856   9.880
  322    H1*    C  30           H1*        C  30  -1.825   5.442  12.920
  323   1H4     C  30          1H4         C  30   4.264   3.926  14.125
  324   2H4     C  30          2H4         C  30   3.947   2.295  13.579
  325    H5     C  30           H5         C  30   1.902   1.601  12.623
  326    H6     C  30           H6         C  30  -0.366   2.309  11.950
  327   1H5*    G  31          1H5*        G  31  -2.587   7.102   8.464
  328   2H5*    G  31          2H5*        G  31  -2.367   7.539   6.770
  329    H4*    G  31           H4*        G  31  -1.782   9.447   8.015
  330    H3*    G  31           H3*        G  31   0.574   7.982   6.900
  331    H2*    G  31           H2*        G  31   2.090   9.505   7.885
  332   2HO*    G  31          2HO*        G  31   0.341  11.160   7.356
  333    H1*    G  31           H1*        G  31   0.808   9.489  10.386
  334    H8     G  31           H8         G  31   0.901   6.064   8.889
  335    H1     G  31           H1         G  31   6.341   7.684  11.999
  336   1H2     G  31          1H2         G  31   6.292   9.690  12.473
  337   2H2     G  31          2H2         G  31   4.973  10.772  12.086
  338   1H5*    A  32          1H5*        A  32   0.643  12.086   6.389
  339   2H5*    A  32          2H5*        A  32   1.176  12.737   4.839
  340    H4*    A  32           H4*        A  32   2.389  13.842   6.566
  341    H3*    A  32           H3*        A  32   3.977  11.936   4.891
  342    H2*    A  32           H2*        A  32   5.947  12.385   6.117
  343   2HO*    A  32          2HO*        A  32   5.207  14.668   6.194
  344    H1*    A  32           H1*        A  32   4.690  12.185   8.622
  345    H8     A  32           H8         A  32   3.388   9.565   6.311
  346   1H6     A  32          1H6         A  32   8.221   6.032   8.077
  347   2H6     A  32          2H6         A  32   6.712   6.030   7.191
  348    H2     A  32           H2         A  32   8.835  10.131   9.680
  349   1H5*    G  33          1H5*        G  33   6.149  15.404   5.499
  350   2H5*    G  33          2H5*        G  33   6.425  16.244   3.974
  351    H4*    G  33           H4*        G  33   8.477  16.380   5.036
  352    H3*    G  33           H3*        G  33   8.458  14.170   3.026
  353    H2*    G  33           H2*        G  33  10.658  13.512   3.592
  354   2HO*    G  33          2HO*        G  33  10.505  16.111   4.549
  355    H1*    G  33           H1*        G  33  10.197  13.589   6.360
  356    H8     G  33           H8         G  33   7.252  12.190   4.523
  357    H1     G  33           H1         G  33  11.872   7.824   5.737
  358   1H2     G  33          1H2         G  33  13.557   8.781   6.440
  359   2H2     G  33          2H2         G  33  13.698  10.510   6.667
  360   1H5*    U  34          1H5*        U  34  12.150  15.887   2.837
  361   2H5*    U  34          2H5*        U  34  12.428  16.601   1.249
  362    H4*    U  34           H4*        U  34  14.373  15.401   1.688
  363    H3*    U  34           H3*        U  34  12.554  13.868  -0.141
  364    H2*    U  34           H2*        U  34  14.122  12.105  -0.285
  365   2HO*    U  34          2HO*        U  34  15.670  14.225   0.229
  366    H1*    U  34           H1*        U  34  14.623  12.024   2.471
  367    H3     U  34           H3         U  34  12.320   8.188   1.729
  368    H5     U  34           H5         U  34   9.384  11.172   1.587
  369    H6     U  34           H6         U  34  11.195  12.821   1.712
  370   1H5*    C  35          1H5*        C  35  16.179  13.816  -1.945
  371   2H5*    C  35          2H5*        C  35  16.198  14.408  -3.606
  372    H4*    C  35           H4*        C  35  17.217  12.316  -3.721
  373    H3*    C  35           H3*        C  35  14.327  12.091  -4.559
  374    H2*    C  35           H2*        C  35  14.706   9.839  -5.146
  375   2HO*    C  35          2HO*        C  35  17.347  10.867  -5.004
  376    H1*    C  35           H1*        C  35  16.196   9.226  -2.859
  377   1H4     C  35          1H4         C  35  10.297   7.447  -1.235
  378   2H4     C  35          2H4         C  35   9.830   9.123  -1.053
  379    H5     C  35           H5         C  35  11.246  10.945  -1.556
  380    H6     C  35           H6         C  35  13.481  11.614  -2.366
  381   1H5*    C  36          1H5*        C  36  16.268  10.475  -8.014
  382   2H5*    C  36          2H5*        C  36  15.576  11.328  -9.393
  383    H4*    C  36           H4*        C  36  15.269   9.028  -9.808
  384    H3*    C  36           H3*        C  36  12.722  10.366  -8.910
  385    H2*    C  36           H2*        C  36  11.547   8.356  -9.317
  386   2HO*    C  36          2HO*        C  36  12.641   6.737 -10.577
  387    H1*    C  36           H1*        C  36  13.497   6.734  -8.093
  388   1H4     C  36          1H4         C  36   9.243   7.539  -3.424
  389   2H4     C  36          2H4         C  36   9.685   9.227  -3.287
  390    H5     C  36           H5         C  36  11.240  10.299  -4.704
  391    H6     C  36           H6         C  36  12.770  10.014  -6.621
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   2.107  -1.973  -2.372
    2   2H5*    G   1          2H5*        G   1   3.161  -2.657  -1.136
    3    H4*    G   1           H4*        G   1   4.246  -2.315  -3.350
    4    H3*    G   1           H3*        G   1   5.392  -0.904  -0.930
    5    H2*    G   1           H2*        G   1   7.185  -0.218  -2.240
    6   2HO*    G   1          2HO*        G   1   6.280  -2.253  -4.069
    7    H1*    G   1           H1*        G   1   5.752   0.093  -4.655
    8    H8     G   1           H8         G   1   3.794   1.556  -1.866
    9    H1     G   1           H1         G   1   8.480   5.477  -3.999
   10   1H2     G   1          1H2         G   1   9.729   4.432  -5.264
   11   2H2     G   1          2H2         G   1   9.536   2.746  -5.685
   12   1H5*    G   2          1H5*        G   2   8.640  -3.803  -1.762
   13   2H5*    G   2          2H5*        G   2   9.319  -4.196  -0.183
   14    H4*    G   2           H4*        G   2  11.019  -3.200  -1.550
   15    H3*    G   2           H3*        G   2  10.060  -1.309   0.620
   16    H2*    G   2           H2*        G   2  11.986  -0.032   0.165
   17   2HO*    G   2          2HO*        G   2  13.318  -1.500  -1.613
   18    H1*    G   2           H1*        G   2  11.834  -0.315  -2.618
   19    H8     G   2           H8         G   2   8.528   0.144  -0.832
   20    H1     G   2           H1         G   2  11.383   5.657  -2.658
   21   1H2     G   2          1H2         G   2  13.274   5.250  -3.373
   22   2H2     G   2          2H2         G   2  13.981   3.652  -3.463
   23   1H5*    A   3          1H5*        A   3  14.199  -2.340   1.255
   24   2H5*    A   3          2H5*        A   3  14.413  -2.765   2.953
   25    H4*    A   3           H4*        A   3  16.160  -1.286   2.467
   26    H3*    A   3           H3*        A   3  13.944   0.022   3.996
   27    H2*    A   3           H2*        A   3  15.062   2.103   3.978
   28   2HO*    A   3          2HO*        A   3  17.150   0.392   3.014
   29    H1*    A   3           H1*        A   3  15.752   1.912   1.241
   30    H8     A   3           H8         A   3  12.236   0.819   1.875
   31   1H6     A   3          1H6         A   3  10.595   6.808   1.246
   32   2H6     A   3          2H6         A   3   9.979   5.177   1.392
   33    H2     A   3           H2         A   3  15.031   6.589   1.379
   34   1H5*    C   4          1H5*        C   4  17.598   0.941   5.940
   35   2H5*    C   4          2H5*        C   4  17.520   0.645   7.678
   36    H4*    C   4           H4*        C   4  18.329   2.837   7.432
   37    H3*    C   4           H3*        C   4  15.428   2.781   8.226
   38    H2*    C   4           H2*        C   4  15.414   5.141   8.372
   39   2HO*    C   4          2HO*        C   4  18.150   5.310   7.685
   40    H1*    C   4           H1*        C   4  16.762   5.529   5.952
   41   1H4     C   4          1H4         C   4  10.580   5.948   4.408
   42   2H4     C   4          2H4         C   4  10.495   4.203   4.324
   43    H5     C   4           H5         C   4  12.276   2.769   4.916
   44    H6     C   4           H6         C   4  14.601   2.656   5.742
   45   1H5*    U   5          1H5*        U   5  17.501   5.291  10.748
   46   2H5*    U   5          2H5*        U   5  17.277   4.932  12.461
   47    H4*    U   5           H4*        U   5  16.967   7.269  12.162
   48    H3*    U   5           H3*        U   5  14.451   5.737  12.723
   49    H2*    U   5           H2*        U   5  13.179   7.727  12.687
   50   2HO*    U   5          2HO*        U   5  14.264   9.625  13.097
   51    H1*    U   5           H1*        U   5  14.367   8.713  10.348
   52    H3     U   5           H3         U   5  10.059   7.587   9.288
   53    H5     U   5           H5         U   5  12.213   4.005   9.032
   54    H6     U   5           H6         U   5  14.115   5.192  10.026
   55   1H5*    C   6          1H5*        C   6  14.702   9.062  15.306
   56   2H5*    C   6          2H5*        C   6  14.278   8.672  16.973
   57    H4*    C   6           H4*        C   6  12.968  10.541  16.295
   58    H3*    C   6           H3*        C   6  11.438   7.971  16.568
   59    H2*    C   6           H2*        C   6   9.419   9.085  16.047
   60   2HO*    C   6          2HO*        C   6  10.021  11.597  15.704
   61    H1*    C   6           H1*        C   6  10.503  10.499  13.878
   62   1H4     C   6          1H4         C   6   7.794   5.393  11.177
   63   2H4     C   6          2H4         C   6   9.163   4.416  11.655
   64    H5     C   6           H5         C   6  10.944   5.209  12.989
   65    H6     C   6           H6         C   6  11.856   7.154  14.206
   66   1H5*    G   7          1H5*        G   7   9.696  11.313  18.611
   67   2H5*    G   7          2H5*        G   7   9.235  10.909  20.264
   68    H4*    G   7           H4*        G   7   7.421  12.091  19.318
   69    H3*    G   7           H3*        G   7   6.957   9.168  19.677
   70    H2*    G   7           H2*        G   7   4.822   9.267  18.669
   71   2HO*    G   7          2HO*        G   7   3.799  11.190  18.859
   72    H1*    G   7           H1*        G   7   5.680  10.813  16.490
   73    H8     G   7           H8         G   7   8.248   8.248  17.368
   74    H1     G   7           H1         G   7   3.477   5.953  13.647
   75   1H2     G   7          1H2         G   7   1.965   7.350  13.526
   76   2H2     G   7          2H2         G   7   1.987   8.911  14.315
   77   1H5*    G   8          1H5*        G   8   2.066  10.175  20.913
   78   2H5*    G   8          2H5*        G   8   2.739   9.787  22.497
   79    H4*    G   8           H4*        G   8   0.938   8.245  21.473
   80    H3*    G   8           H3*        G   8   3.467   7.311  22.815
   81    H2*    G   8           H2*        G   8   2.749   5.071  22.581
   82   2HO*    G   8          2HO*        G   8   0.540   4.715  22.231
   83    H1*    G   8           H1*        G   8   1.941   5.356  19.921
   84    H8     G   8           H8         G   8   5.047   7.336  20.545
   85    H1     G   8           H1         G   8   6.166   1.074  19.358
   86   1H2     G   8          1H2         G   8   4.382   0.040  19.375
   87   2H2     G   8          2H2         G   8   2.816   0.763  19.667
   88   1H5*    C   9          1H5*        C   9   0.553   4.893  24.247
   89   2H5*    C   9          2H5*        C   9   0.863   4.444  25.923
   90    H4*    C   9           H4*        C   9   0.916   2.530  24.364
   91    H3*    C   9           H3*        C   9   3.549   3.144  25.751
   92    H2*    C   9           H2*        C   9   4.157   0.933  25.175
   93   2HO*    C   9          2HO*        C   9   1.324   0.840  24.814
   94    H1*    C   9           H1*        C   9   3.066   1.073  22.593
   95   1H4     C   9          1H4         C   9   9.257   2.450  21.819
   96   2H4     C   9          2H4         C   9   8.922   4.113  22.242
   97    H5     C   9           H5         C   9   6.815   4.886  22.979
   98    H6     C   9           H6         C   9   4.488   4.245  23.499
   99   1H5*    U  10          1H5*        U  10   2.033  -0.352  27.061
  100   2H5*    U  10          2H5*        U  10   2.018  -0.631  28.802
  101    H4*    U  10           H4*        U  10   2.961  -2.561  27.852
  102    H3*    U  10           H3*        U  10   5.005  -0.770  29.116
  103    H2*    U  10           H2*        U  10   6.743  -2.267  28.552
  104   2HO*    U  10          2HO*        U  10   5.753  -4.319  27.411
  105    H1*    U  10           H1*        U  10   5.879  -2.643  25.917
  106    H3     U  10           H3         U  10   9.718  -0.198  25.612
  107    H5     U  10           H5         U  10   6.751   2.604  26.550
  108    H6     U  10           H6         U  10   5.222   0.721  26.901
  109   1H5*    U  11          1H5*        U  11   5.690  -4.543  30.216
  110   2H5*    U  11          2H5*        U  11   5.713  -4.885  31.945
  111    H4*    U  11           H4*        U  11   7.641  -5.905  31.111
  112    H3*    U  11           H3*        U  11   8.272  -3.284  32.432
  113    H2*    U  11           H2*        U  11  10.577  -3.594  32.017
  114   2HO*    U  11          2HO*        U  11  11.211  -5.748  31.258
  115    H1*    U  11           H1*        U  11  10.239  -4.381  29.357
  116    H3     U  11           H3         U  11  12.035  -0.243  28.943
  117    H5     U  11           H5         U  11   8.070   0.496  30.074
  118    H6     U  11           H6         U  11   7.819  -1.921  30.408
  119   1H5*    G  12          1H5*        G  12  10.725  -6.261  33.687
  120   2H5*    G  12          2H5*        G  12  10.938  -6.474  35.423
  121    H4*    G  12           H4*        G  12  13.102  -6.444  34.499
  122    H3*    G  12           H3*        G  12  12.401  -3.854  35.859
  123    H2*    G  12           H2*        G  12  14.513  -2.980  35.365
  124   2HO*    G  12          2HO*        G  12  14.947  -5.757  35.261
  125    H1*    G  12           H1*        G  12  14.726  -4.004  32.782
  126    H8     G  12           H8         G  12  11.263  -2.840  33.778
  127    H1     G  12           H1         G  12  14.971   1.732  31.089
  128   1H2     G  12          1H2         G  12  16.886   1.010  30.846
  129   2H2     G  12          2H2         G  12  17.411  -0.595  31.303
  130   1H5*    C  13          1H5*        C  13  16.022  -5.130  37.607
  131   2H5*    C  13          2H5*        C  13  16.040  -4.865  39.351
  132    H4*    C  13           H4*        C  13  17.907  -3.729  38.382
  133    H3*    C  13           H3*        C  13  15.718  -1.923  39.384
  134    H2*    C  13           H2*        C  13  17.051  -0.036  38.889
  135   2HO*    C  13          2HO*        C  13  19.239  -0.349  38.875
  136    H1*    C  13           H1*        C  13  17.829  -0.954  36.364
  137   1H4     C  13          1H4         C  13  12.773   2.675  35.016
  138   2H4     C  13          2H4         C  13  11.706   1.480  35.720
  139    H5     C  13           H5         C  13  12.459  -0.486  36.790
  140    H6     C  13           H6         C  13  14.439  -1.802  37.456
  141   1H5*    U  14          1H5*        U  14  19.131  -0.735  40.971
  142   2H5*    U  14          2H5*        U  14  19.188  -0.239  42.663
  143    H4*    U  14           H4*        U  14  19.917   1.570  41.245
  144    H3*    U  14           H3*        U  14  17.302   1.974  42.675
  145    H2*    U  14           H2*        U  14  17.174   4.180  41.838
  146   2HO*    U  14          2HO*        U  14  19.131   5.097  41.644
  147    H1*    U  14           H1*        U  14  17.888   3.469  39.222
  148    H3     U  14           H3         U  14  13.511   4.510  38.751
  149    H5     U  14           H5         U  14  13.444   0.822  40.735
  150    H6     U  14           H6         U  14  15.883   0.992  40.927
  151   1H5*    G  15          1H5*        G  15  19.937   5.315  43.814
  152   2H5*    G  15          2H5*        G  15  19.888   5.422  45.574
  153    H4*    G  15           H4*        G  15  19.491   7.600  44.870
  154    H3*    G  15           H3*        G  15  16.955   6.217  45.638
  155    H2*    G  15           H2*        G  15  15.651   8.099  45.052
  156   2HO*    G  15          2HO*        G  15  16.772   9.883  45.585
  157    H1*    G  15           H1*        G  15  16.946   8.510  42.599
  158    H8     G  15           H8         G  15  16.377   4.883  43.464
  159    H1     G  15           H1         G  15  11.432   7.685  40.369
  160   1H2     G  15          1H2         G  15  11.770   9.714  40.224
  161   2H2     G  15          2H2         G  15  13.183  10.534  40.850
  162   1H5*    G  16          1H5*        G  16  16.440   9.703  47.903
  163   2H5*    G  16          2H5*        G  16  15.584   9.292  49.388
  164    H4*    G  16           H4*        G  16  14.257  10.685  47.843
  165    H3*    G  16           H3*        G  16  13.206   7.922  48.492
  166    H2*    G  16           H2*        G  16  11.168   8.554  47.474
  167   2HO*    G  16          2HO*        G  16  11.841  10.786  48.520
  168    H1*    G  16           H1*        G  16  12.412   9.803  45.282
  169    H8     G  16           H8         G  16  14.069   6.593  46.325
  170    H1     G  16           H1         G  16   9.141   5.801  42.205
  171   1H2     G  16          1H2         G  16   8.148   7.593  41.966
  172   2H2     G  16          2H2         G  16   8.586   9.087  42.765
  173   1H5*    A  17          1H5*        A  17  11.082   6.638  49.433
  174   2H5*    A  17          2H5*        A  17  10.129   7.290  48.100
  175    H4*    A  17           H4*        A  17   9.111   5.673  49.957
  176    H3*    A  17           H3*        A  17   7.772   7.903  48.441
  177    H2*    A  17           H2*        A  17   5.737   7.424  49.545
  178   2HO*    A  17          2HO*        A  17   5.618   5.395  50.689
  179    H1*    A  17           H1*        A  17   6.904   7.196  52.082
  180    H8     A  17           H8         A  17   8.729  10.011  50.765
  181   1H6     A  17          1H6         A  17   3.717  13.612  51.689
  182   2H6     A  17          2H6         A  17   5.429  13.631  51.337
  183    H2     A  17           H2         A  17   2.467   9.366  52.075
  184   1H5*    G  18          1H5*        G  18   3.452   6.417  47.789
  185   2H5*    G  18          2H5*        G  18   4.010   6.213  46.128
  186    H4*    G  18           H4*        G  18   2.445   8.111  46.447
  187    H3*    G  18           H3*        G  18   5.152   8.463  45.252
  188    H2*    G  18           H2*        G  18   4.917  10.808  45.099
  189   2HO*    G  18          2HO*        G  18   2.454  11.173  46.143
  190    H1*    G  18           H1*        G  18   3.934  11.132  47.694
  191    H8     G  18           H8         G  18   6.714   8.658  46.764
  192    H1     G  18           H1         G  18   8.694  14.186  49.486
  193   1H2     G  18          1H2         G  18   7.071  15.417  49.804
  194   2H2     G  18          2H2         G  18   5.420  15.012  49.394
  195   1H5*    A  19          1H5*        A  19   2.146  10.110  43.055
  196   2H5*    A  19          2H5*        A  19   1.893   9.744  41.349
  197    H4*    A  19           H4*        A  19   1.832  12.018  41.276
  198    H3*    A  19           H3*        A  19   4.521  11.070  40.599
  199    H2*    A  19           H2*        A  19   5.633  13.133  40.907
  200   2HO*    A  19          2HO*        A  19   4.382  14.979  40.846
  201    H1*    A  19           H1*        A  19   4.468  13.655  43.396
  202    H8     A  19           H8         A  19   5.864  10.379  41.943
  203   1H6     A  19          1H6         A  19  10.362  11.006  46.225
  204   2H6     A  19          2H6         A  19   9.777   9.998  44.920
  205    H2     A  19           H2         A  19   7.560  14.430  46.640
  206   1H5*    C  20          1H5*        C  20   4.684  10.359  35.767
  207   2H5*    C  20          2H5*        C  20   4.718   9.700  37.402
  208    H4*    C  20           H4*        C  20   5.668  12.501  36.857
  209    H3*    C  20           H3*        C  20   7.100   9.982  36.141
  210    H2*    C  20           H2*        C  20   9.126  10.741  37.091
  211   2HO*    C  20          2HO*        C  20   7.644  13.187  37.436
  212    H1*    C  20           H1*        C  20   7.946  11.642  39.463
  213   1H4     C  20          1H4         C  20  10.053   5.678  40.561
  214   2H4     C  20          2H4         C  20   8.422   5.118  40.265
  215    H5     C  20           H5         C  20   6.676   6.503  39.482
  216    H6     C  20           H6         C  20   6.061   8.790  38.781
  217   1H5*    G  21          1H5*        G  21   9.334  13.351  35.260
  218   2H5*    G  21          2H5*        G  21   9.762  13.491  33.554
  219    H4*    G  21           H4*        G  21  11.716  14.043  34.706
  220    H3*    G  21           H3*        G  21  11.777  11.296  33.562
  221    H2*    G  21           H2*        G  21  13.861  10.788  34.552
  222   2HO*    G  21          2HO*        G  21  14.911  12.723  34.287
  223    H1*    G  21           H1*        G  21  13.136  11.829  37.074
  224    H8     G  21           H8         G  21  10.345   9.879  35.532
  225    H1     G  21           H1         G  21  14.672   6.197  38.630
  226   1H2     G  21          1H2         G  21  16.316   7.337  39.129
  227   2H2     G  21          2H2         G  21  16.495   9.038  38.763
  228   1H5*    G  22          1H5*        G  22  15.564  12.780  32.700
  229   2H5*    G  22          2H5*        G  22  15.946  12.604  30.987
  230    H4*    G  22           H4*        G  22  17.678  11.593  32.318
  231    H3*    G  22           H3*        G  22  15.969   9.677  30.742
  232    H2*    G  22           H2*        G  22  17.382   7.901  31.399
  233   2HO*    G  22          2HO*        G  22  18.972  10.158  31.803
  234    H1*    G  22           H1*        G  22  17.506   8.706  34.087
  235    H8     G  22           H8         G  22  14.065   9.160  32.692
  236    H1     G  22           H1         G  22  15.261   3.138  34.740
  237   1H2     G  22          1H2         G  22  17.270   2.940  35.161
  238   2H2     G  22          2H2         G  22  18.455   4.215  34.985
  239   1H5*    C  23          1H5*        C  23  19.954   8.875  29.437
  240   2H5*    C  23          2H5*        C  23  19.978   8.794  27.676
  241    H4*    C  23           H4*        C  23  20.949   6.792  28.536
  242    H3*    C  23           H3*        C  23  18.230   6.432  27.303
  243    H2*    C  23           H2*        C  23  18.382   4.096  27.626
  244   2HO*    C  23          2HO*        C  23  20.950   4.251  28.762
  245    H1*    C  23           H1*        C  23  19.356   4.314  30.256
  246   1H4     C  23          1H4         C  23  13.094   3.413  31.048
  247   2H4     C  23          2H4         C  23  12.793   5.075  30.590
  248    H5     C  23           H5         C  23  14.473   6.559  29.847
  249    H6     C  23           H6         C  23  16.879   6.816  29.356
  250   1H5*    A  24          1H5*        A  24  21.235   3.678  25.809
  251   2H5*    A  24          2H5*        A  24  21.102   3.516  24.058
  252    H4*    A  24           H4*        A  24  21.231   1.329  24.974
  253    H3*    A  24           H3*        A  24  18.570   2.110  23.876
  254    H2*    A  24           H2*        A  24  17.579   0.065  24.526
  255   2HO*    A  24          2HO*        A  24  18.990  -1.654  25.092
  256    H1*    A  24           H1*        A  24  18.679   0.107  27.111
  257    H8     A  24           H8         A  24  17.541   3.498  25.979
  258   1H6     A  24          1H6         A  24  11.949   2.026  28.325
  259   2H6     A  24          2H6         A  24  12.903   3.324  27.645
  260    H2     A  24           H2         A  24  14.495  -1.616  28.410
  261   1H5*    A  25          1H5*        A  25  19.686  -1.888  22.745
  262   2H5*    A  25          2H5*        A  25  19.437  -2.149  21.018
  263    H4*    A  25           H4*        A  25  18.466  -3.981  22.195
  264    H3*    A  25           H3*        A  25  16.545  -2.104  20.889
  265    H2*    A  25           H2*        A  25  14.676  -3.304  21.696
  266   2HO*    A  25          2HO*        A  25  15.198  -5.391  22.767
  267    H1*    A  25           H1*        A  25  15.662  -3.520  24.312
  268    H8     A  25           H8         A  25  16.451  -0.161  22.879
  269   1H6     A  25          1H6         A  25  10.824   1.661  24.868
  270   2H6     A  25          2H6         A  25  12.337   2.220  24.191
  271    H2     A  25           H2         A  25  11.110  -2.746  25.353
  272   1H5*    G  26          1H5*        G  26  15.197  -5.878  20.298
  273   2H5*    G  26          2H5*        G  26  15.215  -6.343  18.597
  274    H4*    G  26           H4*        G  26  13.154  -7.093  19.388
  275    H3*    G  26           H3*        G  26  12.913  -4.563  17.822
  276    H2*    G  26           H2*        G  26  10.607  -4.387  18.247
  277   2HO*    G  26          2HO*        G  26  10.709  -6.906  19.592
  278    H1*    G  26           H1*        G  26  10.801  -5.067  20.972
  279    H8     G  26           H8         G  26  13.519  -2.771  19.722
  280    H1     G  26           H1         G  26   8.190   0.282  21.763
  281   1H2     G  26          1H2         G  26   6.705  -1.099  22.137
  282   2H2     G  26          2H2         G  26   6.879  -2.827  21.929
  283   1H5*    A  27          1H5*        A  27  10.807  -7.935  15.564
  284   2H5*    A  27          2H5*        A  27  10.446  -7.516  13.890
  285    H4*    A  27           H4*        A  27   8.423  -7.843  15.240
  286    H3*    A  27           H3*        A  27   8.917  -5.107  14.072
  287    H2*    A  27           H2*        A  27   6.768  -4.444  14.799
  288   2HO*    A  27          2HO*        A  27   6.611  -7.271  14.989
  289    H1*    A  27           H1*        A  27   7.037  -5.612  17.341
  290    H8     A  27           H8         A  27  10.193  -3.950  16.173
  291   1H6     A  27          1H6         A  27   7.989   1.279  18.770
  292   2H6     A  27          2H6         A  27   9.392   0.551  18.021
  293    H2     A  27           H2         A  27   4.764  -1.777  18.846
  294   1H5*    G  28          1H5*        G  28   5.458  -7.023  11.514
  295   2H5*    G  28          2H5*        G  28   5.060  -5.858  10.251
  296    H4*    G  28           H4*        G  28   3.267  -6.317  11.969
  297    H3*    G  28           H3*        G  28   4.188  -3.566  11.226
  298    H2*    G  28           H2*        G  28   2.656  -2.583  12.732
  299   2HO*    G  28          2HO*        G  28   0.828  -3.751  12.756
  300    H1*    G  28           H1*        G  28   3.266  -4.341  14.837
  301    H8     G  28           H8         G  28   6.344  -3.344  12.959
  302    H1     G  28           H1         G  28   4.548   0.944  17.461
  303   1H2     G  28          1H2         G  28   2.678   0.450  18.176
  304   2H2     G  28          2H2         G  28   1.736  -0.922  17.636
  305   1H5*    G  29          1H5*        G  29   0.347  -4.145   8.442
  306   2H5*    G  29          2H5*        G  29   0.385  -2.666   7.481
  307    H4*    G  29           H4*        G  29  -0.981  -2.698   9.660
  308    H3*    G  29           H3*        G  29   1.009  -0.414   9.481
  309    H2*    G  29           H2*        G  29  -0.745   0.709  10.595
  310   2HO*    G  29          2HO*        G  29  -2.493   0.209   9.353
  311    H1*    G  29           H1*        G  29  -1.520  -1.566  12.076
  312    H8     G  29           H8         G  29   2.199  -0.972  11.739
  313    H1     G  29           H1         G  29  -0.521   1.906  16.857
  314   1H2     G  29          1H2         G  29  -2.571   1.711  16.749
  315   2H2     G  29          2H2         G  29  -3.426   0.891  15.462
  316   1H5*    C  30          1H5*        C  30  -2.178   1.561  10.146
  317   2H5*    C  30          2H5*        C  30  -2.667   1.741   8.461
  318    H4*    C  30           H4*        C  30  -3.141   3.847   9.027
  319    H3*    C  30           H3*        C  30  -0.213   3.898   8.554
  320    H2*    C  30           H2*        C  30   0.083   6.020   9.544
  321   2HO*    C  30          2HO*        C  30  -2.666   6.274  10.132
  322    H1*    C  30           H1*        C  30  -1.375   5.487  11.832
  323   1H4     C  30          1H4         C  30   4.590   3.760  13.336
  324   2H4     C  30          2H4         C  30   4.289   2.182  12.644
  325    H5     C  30           H5         C  30   2.307   1.604  11.500
  326    H6     C  30           H6         C  30   0.102   2.406  10.727
  327   1H5*    G  31          1H5*        G  31  -1.893   7.504   7.588
  328   2H5*    G  31          2H5*        G  31  -1.568   8.088   5.956
  329    H4*    G  31           H4*        G  31  -1.127   9.892   7.402
  330    H3*    G  31           H3*        G  31   1.308   8.601   6.271
  331    H2*    G  31           H2*        G  31   2.767   9.974   7.525
  332   2HO*    G  31          2HO*        G  31   0.274  11.284   8.098
  333    H1*    G  31           H1*        G  31   1.348   9.634   9.932
  334    H8     G  31           H8         G  31   1.532   6.409   8.074
  335    H1     G  31           H1         G  31   6.865   7.701  11.504
  336   1H2     G  31          1H2         G  31   6.792   9.646  12.186
  337   2H2     G  31          2H2         G  31   5.480  10.760  11.874
  338   1H5*    A  32          1H5*        A  32   1.423  12.801   6.385
  339   2H5*    A  32          2H5*        A  32   2.011  13.588   4.922
  340    H4*    A  32           H4*        A  32   3.169  14.549   6.752
  341    H3*    A  32           H3*        A  32   4.804  12.745   5.025
  342    H2*    A  32           H2*        A  32   6.717  13.005   6.389
  343   2HO*    A  32          2HO*        A  32   6.461  15.207   6.786
  344    H1*    A  32           H1*        A  32   5.329  12.612   8.795
  345    H8     A  32           H8         A  32   4.040  10.301   6.164
  346   1H6     A  32          1H6         A  32   8.613   6.381   7.803
  347   2H6     A  32          2H6         A  32   7.157   6.541   6.845
  348    H2     A  32           H2         A  32   9.309  10.264   9.849
  349   1H5*    G  33          1H5*        G  33   7.177  15.904   5.986
  350   2H5*    G  33          2H5*        G  33   7.608  16.849   4.561
  351    H4*    G  33           H4*        G  33   9.621  16.608   5.689
  352    H3*    G  33           H3*        G  33   9.411  14.621   3.456
  353    H2*    G  33           H2*        G  33  11.538  13.728   3.977
  354   2HO*    G  33          2HO*        G  33  12.856  14.959   5.457
  355    H1*    G  33           H1*        G  33  11.015  13.644   6.755
  356    H8     G  33           H8         G  33   8.052  12.483   4.823
  357    H1     G  33           H1         G  33  12.538   7.890   5.637
  358   1H2     G  33          1H2         G  33  14.261   8.736   6.390
  359   2H2     G  33          2H2         G  33  14.461  10.437   6.746
  360   1H5*    U  34          1H5*        U  34  12.971  15.773   3.230
  361   2H5*    U  34          2H5*        U  34  13.536  16.519   1.736
  362    H4*    U  34           H4*        U  34  15.041  14.781   2.149
  363    H3*    U  34           H3*        U  34  12.995  13.762   0.151
  364    H2*    U  34           H2*        U  34  14.495  11.987  -0.254
  365   2HO*    U  34          2HO*        U  34  16.277  13.498  -0.313
  366    H1*    U  34           H1*        U  34  15.150  11.552   2.409
  367    H3     U  34           H3         U  34  12.457   8.036   1.455
  368    H5     U  34           H5         U  34   9.802  11.246   1.886
  369    H6     U  34           H6         U  34  11.759  12.715   2.042
  370   1H5*    C  35          1H5*        C  35  16.156  13.280  -1.799
  371   2H5*    C  35          2H5*        C  35  16.160  13.851  -3.468
  372    H4*    C  35           H4*        C  35  16.570  11.559  -3.625
  373    H3*    C  35           H3*        C  35  13.577  11.889  -4.056
  374    H2*    C  35           H2*        C  35  13.704   9.751  -5.058
  375   2HO*    C  35          2HO*        C  35  15.867   9.004  -5.638
  376    H1*    C  35           H1*        C  35  15.457   8.708  -3.137
  377   1H4     C  35          1H4         C  35   9.682   6.926  -1.089
  378   2H4     C  35          2H4         C  35   9.434   8.522  -0.417
  379    H5     C  35           H5         C  35  10.945  10.316  -0.694
  380    H6     C  35           H6         C  35  13.088  11.027  -1.695
  381   1H5*    C  36          1H5*        C  36  15.060  10.677  -7.449
  382   2H5*    C  36          2H5*        C  36  14.358  11.278  -8.950
  383    H4*    C  36           H4*        C  36  14.082   8.930  -8.951
  384    H3*    C  36           H3*        C  36  11.474  10.306  -8.250
  385    H2*    C  36           H2*        C  36  10.415   8.222  -8.582
  386   2HO*    C  36          2HO*        C  36  12.799   6.963  -9.393
  387    H1*    C  36           H1*        C  36  12.474   6.777  -7.270
  388   1H4     C  36          1H4         C  36   7.872   7.240  -2.879
  389   2H4     C  36          2H4         C  36   8.306   8.911  -2.600
  390    H5     C  36           H5         C  36   9.933  10.075  -3.854
  391    H6     C  36           H6         C  36  11.562   9.920  -5.703
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   3.310  -2.327  -1.663
    2   2H5*    G   1          2H5*        G   1   4.448  -2.942  -0.466
    3    H4*    G   1           H4*        G   1   5.405  -2.727  -2.739
    4    H3*    G   1           H3*        G   1   6.645  -1.133  -0.491
    5    H2*    G   1           H2*        G   1   8.323  -0.440  -1.945
    6   2HO*    G   1          2HO*        G   1   7.458  -2.858  -3.159
    7    H1*    G   1           H1*        G   1   6.704  -0.340  -4.275
    8    H8     G   1           H8         G   1   4.890   1.321  -1.527
    9    H1     G   1           H1         G   1   9.474   5.086  -4.113
   10   1H2     G   1          1H2         G   1  10.684   3.953  -5.340
   11   2H2     G   1          2H2         G   1  10.487   2.238  -5.625
   12   1H5*    G   2          1H5*        G   2  10.014  -3.794  -1.606
   13   2H5*    G   2          2H5*        G   2  10.653  -4.329  -0.051
   14    H4*    G   2           H4*        G   2  12.465  -3.357  -1.177
   15    H3*    G   2           H3*        G   2  11.331  -1.483   0.890
   16    H2*    G   2           H2*        G   2  13.090   0.036   0.453
   17   2HO*    G   2          2HO*        G   2  14.094  -2.100  -1.200
   18    H1*    G   2           H1*        G   2  12.887  -0.226  -2.345
   19    H8     G   2           H8         G   2   9.646  -0.068  -0.388
   20    H1     G   2           H1         G   2  11.885   5.673  -2.366
   21   1H2     G   2          1H2         G   2  13.762   5.435  -3.185
   22   2H2     G   2          2H2         G   2  14.604   3.907  -3.317
   23   1H5*    A   3          1H5*        A   3  15.234  -1.865   1.561
   24   2H5*    A   3          2H5*        A   3  15.823  -1.907   3.222
   25    H4*    A   3           H4*        A   3  16.812  -0.028   2.169
   26    H3*    A   3           H3*        A   3  14.547   0.850   3.984
   27    H2*    A   3           H2*        A   3  15.416   3.039   3.783
   28   2HO*    A   3          2HO*        A   3  17.590   2.086   4.004
   29    H1*    A   3           H1*        A   3  15.885   2.832   1.024
   30    H8     A   3           H8         A   3  12.669   1.193   2.039
   31   1H6     A   3          1H6         A   3   9.974   6.766   1.254
   32   2H6     A   3          2H6         A   3   9.663   5.071   1.550
   33    H2     A   3           H2         A   3  14.375   7.295   0.946
   34   1H5*    C   4          1H5*        C   4  17.958   2.416   5.489
   35   2H5*    C   4          2H5*        C   4  18.167   2.282   7.235
   36    H4*    C   4           H4*        C   4  18.420   4.568   6.677
   37    H3*    C   4           H3*        C   4  15.734   4.012   7.945
   38    H2*    C   4           H2*        C   4  15.376   6.345   8.061
   39   2HO*    C   4          2HO*        C   4  17.249   7.324   8.551
   40    H1*    C   4           H1*        C   4  16.268   6.862   5.470
   41   1H4     C   4          1H4         C   4   9.968   6.137   4.774
   42   2H4     C   4          2H4         C   4  10.164   4.400   4.826
   43    H5     C   4           H5         C   4  12.222   3.319   5.247
   44    H6     C   4           H6         C   4  14.622   3.644   5.730
   45   1H5*    U   5          1H5*        U   5  17.574   6.732  10.129
   46   2H5*    U   5          2H5*        U   5  17.351   6.759  11.879
   47    H4*    U   5           H4*        U   5  16.525   8.802  10.852
   48    H3*    U   5           H3*        U   5  14.358   7.030  12.023
   49    H2*    U   5           H2*        U   5  12.926   8.902  11.859
   50   2HO*    U   5          2HO*        U   5  13.895  10.859  12.062
   51    H1*    U   5           H1*        U   5  13.793   9.644   9.308
   52    H3     U   5           H3         U   5   9.602   8.017   8.633
   53    H5     U   5           H5         U   5  11.980   4.595   9.052
   54    H6     U   5           H6         U   5  13.828   6.078   9.681
   55   1H5*    C   6          1H5*        C   6  14.486  10.454  14.103
   56   2H5*    C   6          2H5*        C   6  14.319  10.389  15.857
   57    H4*    C   6           H4*        C   6  12.645  11.854  15.061
   58    H3*    C   6           H3*        C   6  11.531   9.165  15.848
   59    H2*    C   6           H2*        C   6   9.347  10.001  15.503
   60   2HO*    C   6          2HO*        C   6  10.880  12.406  15.547
   61    H1*    C   6           H1*        C   6   9.965  11.255  13.076
   62   1H4     C   6          1H4         C   6   7.651   5.587  11.290
   63   2H4     C   6          2H4         C   6   9.175   4.834  11.701
   64    H5     C   6           H5         C   6  10.977   5.977  12.714
   65    H6     C   6           H6         C   6  11.768   8.147  13.588
   66   1H5*    G   7          1H5*        G   7   9.722  12.254  18.071
   67   2H5*    G   7          2H5*        G   7   9.314  11.859  19.740
   68    H4*    G   7           H4*        G   7   7.337  12.616  18.633
   69    H3*    G   7           H3*        G   7   7.386   9.670  19.240
   70    H2*    G   7           H2*        G   7   5.177   9.460  18.428
   71   2HO*    G   7          2HO*        G   7   5.252  11.999  19.265
   72    H1*    G   7           H1*        G   7   5.642  11.018  16.136
   73    H8     G   7           H8         G   7   8.565   8.805  16.837
   74    H1     G   7           H1         G   7   3.786   5.831  13.642
   75   1H2     G   7          1H2         G   7   2.113   7.036  13.628
   76   2H2     G   7          2H2         G   7   2.019   8.618  14.371
   77   1H5*    G   8          1H5*        G   8   3.101  10.131  19.682
   78   2H5*    G   8          2H5*        G   8   3.141  10.203  21.443
   79    H4*    G   8           H4*        G   8   1.515   8.573  20.675
   80    H3*    G   8           H3*        G   8   3.865   7.626  22.256
   81    H2*    G   8           H2*        G   8   3.187   5.367  22.094
   82   2HO*    G   8          2HO*        G   8   0.895   6.049  20.586
   83    H1*    G   8           H1*        G   8   2.644   5.506  19.341
   84    H8     G   8           H8         G   8   5.738   7.426  20.119
   85    H1     G   8           H1         G   8   6.747   1.057  19.566
   86   1H2     G   8          1H2         G   8   4.935   0.077  19.497
   87   2H2     G   8          2H2         G   8   3.374   0.862  19.579
   88   1H5*    C   9          1H5*        C   9   0.962   5.610  23.640
   89   2H5*    C   9          2H5*        C   9   0.954   5.172  25.348
   90    H4*    C   9           H4*        C   9   1.319   3.235  23.899
   91    H3*    C   9           H3*        C   9   3.808   3.908  25.517
   92    H2*    C   9           H2*        C   9   4.304   1.617  25.221
   93   2HO*    C   9          2HO*        C   9   2.544   0.349  25.339
   94    H1*    C   9           H1*        C   9   3.440   1.528  22.564
   95   1H4     C   9          1H4         C   9   9.732   2.613  22.233
   96   2H4     C   9          2H4         C   9   9.417   4.330  22.353
   97    H5     C   9           H5         C   9   7.278   5.249  22.749
   98    H6     C   9           H6         C   9   4.891   4.742  23.131
   99   1H5*    U  10          1H5*        U  10   1.835   0.705  27.082
  100   2H5*    U  10          2H5*        U  10   1.973   0.377  28.809
  101    H4*    U  10           H4*        U  10   2.701  -1.548  27.574
  102    H3*    U  10           H3*        U  10   4.871  -0.052  29.024
  103    H2*    U  10           H2*        U  10   6.437  -1.704  28.392
  104   2HO*    U  10          2HO*        U  10   4.772  -3.340  28.799
  105    H1*    U  10           H1*        U  10   5.590  -1.823  25.729
  106    H3     U  10           H3         U  10   9.709   0.174  25.735
  107    H5     U  10           H5         U  10   7.005   3.258  26.580
  108    H6     U  10           H6         U  10   5.268   1.542  26.797
  109   1H5*    U  11          1H5*        U  11   4.958  -4.000  30.022
  110   2H5*    U  11          2H5*        U  11   5.001  -4.382  31.744
  111    H4*    U  11           H4*        U  11   6.727  -5.632  30.726
  112    H3*    U  11           H3*        U  11   7.722  -3.275  32.294
  113    H2*    U  11           H2*        U  11   9.963  -3.846  31.807
  114   2HO*    U  11          2HO*        U  11   8.726  -6.194  30.683
  115    H1*    U  11           H1*        U  11   9.499  -4.304  29.085
  116    H3     U  11           H3         U  11  11.949  -0.462  29.270
  117    H5     U  11           H5         U  11   8.029   0.745  30.118
  118    H6     U  11           H6         U  11   7.424  -1.629  30.215
  119   1H5*    G  12          1H5*        G  12   9.717  -6.548  33.786
  120   2H5*    G  12          2H5*        G  12   9.996  -6.572  35.527
  121    H4*    G  12           H4*        G  12  12.106  -6.583  34.381
  122    H3*    G  12           H3*        G  12  11.486  -3.974  35.778
  123    H2*    G  12           H2*        G  12  13.680  -3.272  35.321
  124   2HO*    G  12          2HO*        G  12  14.151  -5.970  34.445
  125    H1*    G  12           H1*        G  12  13.780  -4.273  32.716
  126    H8     G  12           H8         G  12  10.529  -2.721  33.958
  127    H1     G  12           H1         G  12  14.455   1.322  30.776
  128   1H2     G  12          1H2         G  12  16.236   0.369  30.361
  129   2H2     G  12          2H2         G  12  16.610  -1.279  30.810
  130   1H5*    C  13          1H5*        C  13  14.874  -5.531  37.306
  131   2H5*    C  13          2H5*        C  13  15.094  -5.518  39.056
  132    H4*    C  13           H4*        C  13  16.992  -4.463  38.141
  133    H3*    C  13           H3*        C  13  15.054  -2.467  39.303
  134    H2*    C  13           H2*        C  13  16.634  -0.753  38.916
  135   2HO*    C  13          2HO*        C  13  18.188  -3.059  38.929
  136    H1*    C  13           H1*        C  13  17.271  -1.602  36.329
  137   1H4     C  13          1H4         C  13  12.752   2.793  35.373
  138   2H4     C  13          2H4         C  13  11.525   1.641  35.851
  139    H5     C  13           H5         C  13  12.001  -0.527  36.660
  140    H6     C  13           H6         C  13  13.788  -2.138  37.213
  141   1H5*    U  14          1H5*        U  14  18.462  -1.801  41.140
  142   2H5*    U  14          2H5*        U  14  18.456  -1.347  42.844
  143    H4*    U  14           H4*        U  14  19.333   0.441  41.437
  144    H3*    U  14           H3*        U  14  16.714   1.023  42.836
  145    H2*    U  14           H2*        U  14  16.979   3.285  42.205
  146   2HO*    U  14          2HO*        U  14  19.320   2.961  42.734
  147    H1*    U  14           H1*        U  14  17.758   2.724  39.586
  148    H3     U  14           H3         U  14  13.534   4.415  39.262
  149    H5     U  14           H5         U  14  12.985   0.399  40.313
  150    H6     U  14           H6         U  14  15.409   0.257  40.652
  151   1H5*    G  15          1H5*        G  15  19.988   3.684  44.187
  152   2H5*    G  15          2H5*        G  15  19.847   3.909  45.930
  153    H4*    G  15           H4*        G  15  20.130   6.057  45.014
  154    H3*    G  15           H3*        G  15  17.347   5.479  45.919
  155    H2*    G  15           H2*        G  15  16.550   7.571  45.162
  156   2HO*    G  15          2HO*        G  15  19.377   7.968  44.881
  157    H1*    G  15           H1*        G  15  17.841   7.399  42.670
  158    H8     G  15           H8         G  15  16.381   4.120  43.765
  159    H1     G  15           H1         G  15  12.163   7.987  40.742
  160   1H2     G  15          1H2         G  15  13.000   9.854  40.487
  161   2H2     G  15          2H2         G  15  14.606  10.306  41.015
  162   1H5*    G  16          1H5*        G  16  18.511   8.599  48.177
  163   2H5*    G  16          2H5*        G  16  17.856   8.887  49.788
  164    H4*    G  16           H4*        G  16  16.532  10.124  48.263
  165    H3*    G  16           H3*        G  16  15.081   7.609  49.135
  166    H2*    G  16           H2*        G  16  13.130   8.553  48.191
  167   2HO*    G  16          2HO*        G  16  14.831  10.821  48.415
  168    H1*    G  16           H1*        G  16  14.415   9.463  45.875
  169    H8     G  16           H8         G  16  15.650   6.104  47.046
  170    H1     G  16           H1         G  16  10.448   5.820  43.206
  171   1H2     G  16          1H2         G  16   9.717   7.724  42.896
  172   2H2     G  16          2H2         G  16  10.409   9.179  43.575
  173   1H5*    A  17          1H5*        A  17  12.635   6.571  51.471
  174   2H5*    A  17          2H5*        A  17  12.269   7.097  49.828
  175    H4*    A  17           H4*        A  17  10.371   6.511  51.574
  176    H3*    A  17           H3*        A  17  10.327   8.682  49.476
  177    H2*    A  17           H2*        A  17   8.085   9.139  50.060
  178   2HO*    A  17          2HO*        A  17   8.263   6.863  51.803
  179    H1*    A  17           H1*        A  17   8.580   8.961  52.840
  180    H8     A  17           H8         A  17  11.373  10.886  51.481
  181   1H6     A  17          1H6         A  17   7.667  15.908  51.403
  182   2H6     A  17          2H6         A  17   9.323  15.366  51.249
  183    H2     A  17           H2         A  17   5.140  12.326  52.131
  184   1H5*    G  18          1H5*        G  18   6.860   8.394  48.927
  185   2H5*    G  18          2H5*        G  18   6.568   8.499  47.191
  186    H4*    G  18           H4*        G  18   6.234  10.553  48.880
  187    H3*    G  18           H3*        G  18   6.649  10.373  45.985
  188    H2*    G  18           H2*        G  18   8.202  12.069  46.000
  189   2HO*    G  18          2HO*        G  18   6.977  14.051  46.085
  190    H1*    G  18           H1*        G  18   7.639  13.365  48.553
  191    H8     G  18           H8         G  18   9.668  10.305  47.408
  192    H1     G  18           H1         G  18  13.087  15.101  50.090
  193   1H2     G  18          1H2         G  18  11.817  16.631  50.633
  194   2H2     G  18          2H2         G  18  10.083  16.618  50.397
  195   1H5*    A  19          1H5*        A  19   3.617  12.865  43.570
  196   2H5*    A  19          2H5*        A  19   4.326  11.609  42.556
  197    H4*    A  19           H4*        A  19   4.912  14.207  42.308
  198    H3*    A  19           H3*        A  19   6.583  11.781  41.727
  199    H2*    A  19           H2*        A  19   8.406  13.149  41.100
  200   2HO*    A  19          2HO*        A  19   7.958  15.386  40.717
  201    H1*    A  19           H1*        A  19   8.200  14.847  43.306
  202    H8     A  19           H8         A  19   8.003  11.042  42.833
  203   1H6     A  19          1H6         A  19  13.005  10.830  46.561
  204   2H6     A  19          2H6         A  19  11.909   9.861  45.601
  205    H2     A  19           H2         A  19  11.722  15.069  46.194
  206   1H5*    C  20          1H5*        C  20   5.361  13.648  37.900
  207   2H5*    C  20          2H5*        C  20   5.852  12.679  36.511
  208    H4*    C  20           H4*        C  20   7.592  14.095  37.885
  209    H3*    C  20           H3*        C  20   8.024  11.349  36.708
  210    H2*    C  20           H2*        C  20  10.294  11.480  37.356
  211   2HO*    C  20          2HO*        C  20   9.568  14.199  37.977
  212    H1*    C  20           H1*        C  20   9.734  12.493  39.911
  213   1H4     C  20          1H4         C  20  10.382   6.163  40.629
  214   2H4     C  20          2H4         C  20   8.660   5.998  40.367
  215    H5     C  20           H5         C  20   7.248   7.784  39.739
  216    H6     C  20           H6         C  20   7.139  10.191  39.201
  217   1H5*    G  21          1H5*        G  21  10.781  14.113  35.503
  218   2H5*    G  21          2H5*        G  21  11.422  14.052  33.861
  219    H4*    G  21           H4*        G  21  13.259  13.995  35.373
  220    H3*    G  21           H3*        G  21  12.715  11.345  34.042
  221    H2*    G  21           H2*        G  21  14.675  10.475  35.023
  222   2HO*    G  21          2HO*        G  21  15.070  13.262  35.620
  223    H1*    G  21           H1*        G  21  14.186  11.683  37.537
  224    H8     G  21           H8         G  21  11.070  10.195  36.139
  225    H1     G  21           H1         G  21  14.858   5.877  39.118
  226   1H2     G  21          1H2         G  21  16.691   6.733  39.526
  227   2H2     G  21          2H2         G  21  17.134   8.375  39.119
  228   1H5*    G  22          1H5*        G  22  16.626  12.245  33.432
  229   2H5*    G  22          2H5*        G  22  17.038  12.405  31.726
  230    H4*    G  22           H4*        G  22  18.751  11.092  32.559
  231    H3*    G  22           H3*        G  22  16.687   9.427  31.198
  232    H2*    G  22           H2*        G  22  17.758   7.406  31.793
  233   2HO*    G  22          2HO*        G  22  19.780   9.230  32.731
  234    H1*    G  22           H1*        G  22  18.163   8.180  34.473
  235    H8     G  22           H8         G  22  14.785   9.199  33.228
  236    H1     G  22           H1         G  22  15.045   3.077  35.312
  237   1H2     G  22          1H2         G  22  17.009   2.545  35.645
  238   2H2     G  22          2H2         G  22  18.382   3.601  35.398
  239   1H5*    C  23          1H5*        C  23  20.324   8.070  29.926
  240   2H5*    C  23          2H5*        C  23  20.520   7.866  28.185
  241    H4*    C  23           H4*        C  23  21.056   5.805  29.293
  242    H3*    C  23           H3*        C  23  18.466   5.733  27.739
  243    H2*    C  23           H2*        C  23  18.389   3.397  28.093
  244   2HO*    C  23          2HO*        C  23  20.347   2.445  28.202
  245    H1*    C  23           H1*        C  23  19.114   3.566  30.801
  246   1H4     C  23          1H4         C  23  12.727   3.228  30.770
  247   2H4     C  23          2H4         C  23  12.664   4.968  30.607
  248    H5     C  23           H5         C  23  14.568   6.330  30.288
  249    H6     C  23           H6         C  23  17.025   6.356  30.044
  250   1H5*    A  24          1H5*        A  24  21.415   2.920  26.244
  251   2H5*    A  24          2H5*        A  24  21.329   2.702  24.497
  252    H4*    A  24           H4*        A  24  21.254   0.551  25.508
  253    H3*    A  24           H3*        A  24  18.691   1.480  24.281
  254    H2*    A  24           H2*        A  24  17.572  -0.502  24.919
  255   2HO*    A  24          2HO*        A  24  18.938  -2.181  24.796
  256    H1*    A  24           H1*        A  24  18.554  -0.485  27.541
  257    H8     A  24           H8         A  24  17.731   2.963  26.299
  258   1H6     A  24          1H6         A  24  11.953   1.972  28.440
  259   2H6     A  24          2H6         A  24  13.030   3.178  27.773
  260    H2     A  24           H2         A  24  14.209  -1.848  28.706
  261   1H5*    A  25          1H5*        A  25  19.641  -2.367  23.263
  262   2H5*    A  25          2H5*        A  25  19.376  -2.905  21.605
  263    H4*    A  25           H4*        A  25  18.254  -4.417  23.065
  264    H3*    A  25           H3*        A  25  16.460  -2.623  21.467
  265    H2*    A  25           H2*        A  25  14.537  -3.614  22.408
  266   2HO*    A  25          2HO*        A  25  16.336  -5.589  22.537
  267    H1*    A  25           H1*        A  25  15.512  -3.577  25.036
  268    H8     A  25           H8         A  25  16.465  -0.462  23.193
  269   1H6     A  25          1H6         A  25  10.973   1.892  24.993
  270   2H6     A  25          2H6         A  25  12.501   2.280  24.237
  271    H2     A  25           H2         A  25  11.039  -2.429  26.026
  272   1H5*    G  26          1H5*        G  26  15.081  -6.393  21.076
  273   2H5*    G  26          2H5*        G  26  14.853  -6.981  19.429
  274    H4*    G  26           H4*        G  26  12.828  -7.398  20.540
  275    H3*    G  26           H3*        G  26  12.650  -4.985  18.754
  276    H2*    G  26           H2*        G  26  10.374  -4.730  19.292
  277   2HO*    G  26          2HO*        G  26  10.875  -7.412  20.047
  278    H1*    G  26           H1*        G  26  10.689  -5.238  22.034
  279    H8     G  26           H8         G  26  13.451  -3.154  20.542
  280    H1     G  26           H1         G  26   8.334   0.266  22.543
  281   1H2     G  26          1H2         G  26   6.803  -1.018  23.054
  282   2H2     G  26          2H2         G  26   6.893  -2.762  22.955
  283   1H5*    A  27          1H5*        A  27  11.152  -8.659  16.113
  284   2H5*    A  27          2H5*        A  27  10.728  -7.932  14.563
  285    H4*    A  27           H4*        A  27   8.980  -8.037  16.490
  286    H3*    A  27           H3*        A  27   9.422  -5.497  14.877
  287    H2*    A  27           H2*        A  27   7.281  -4.875  15.663
  288   2HO*    A  27          2HO*        A  27   6.929  -7.413  16.882
  289    H1*    A  27           H1*        A  27   7.712  -5.811  18.266
  290    H8     A  27           H8         A  27  10.799  -4.223  16.860
  291   1H6     A  27          1H6         A  27   8.583   1.202  19.006
  292   2H6     A  27          2H6         A  27   9.979   0.423  18.297
  293    H2     A  27           H2         A  27   5.403  -1.869  19.444
  294   1H5*    G  28          1H5*        G  28   6.093  -7.744  12.531
  295   2H5*    G  28          2H5*        G  28   5.554  -6.714  11.204
  296    H4*    G  28           H4*        G  28   3.936  -7.065  13.124
  297    H3*    G  28           H3*        G  28   4.674  -4.341  12.075
  298    H2*    G  28           H2*        G  28   3.095  -3.357  13.533
  299   2HO*    G  28          2HO*        G  28   2.197  -5.716  14.677
  300    H1*    G  28           H1*        G  28   3.861  -4.885  15.756
  301    H8     G  28           H8         G  28   6.843  -3.884  13.736
  302    H1     G  28           H1         G  28   4.858   0.686  17.866
  303   1H2     G  28          1H2         G  28   3.031   0.152  18.658
  304   2H2     G  28          2H2         G  28   2.165  -1.316  18.262
  305   1H5*    G  29          1H5*        G  29   0.383  -3.950   8.433
  306   2H5*    G  29          2H5*        G  29   1.987  -3.220   8.400
  307    H4*    G  29           H4*        G  29   0.075  -3.458  10.714
  308    H3*    G  29           H3*        G  29   1.639  -0.996   9.925
  309    H2*    G  29           H2*        G  29  -0.008  -0.026  11.316
  310   2HO*    G  29          2HO*        G  29  -1.386  -1.915   9.993
  311    H1*    G  29           H1*        G  29  -0.169  -2.214  13.050
  312    H8     G  29           H8         G  29   3.352  -1.583  11.915
  313    H1     G  29           H1         G  29   1.557   1.994  17.002
  314   1H2     G  29          1H2         G  29  -0.471   1.782  17.311
  315   2H2     G  29          2H2         G  29  -1.527   0.784  16.338
  316   1H5*    C  30          1H5*        C  30  -1.593   0.657  11.119
  317   2H5*    C  30          2H5*        C  30  -2.403   0.616   9.553
  318    H4*    C  30           H4*        C  30  -3.052   2.695  10.032
  319    H3*    C  30           H3*        C  30  -0.270   3.071   9.072
  320    H2*    C  30           H2*        C  30  -0.117   5.290   9.859
  321   2HO*    C  30          2HO*        C  30  -2.870   4.990  10.631
  322    H1*    C  30           H1*        C  30  -1.112   4.782  12.387
  323   1H4     C  30          1H4         C  30   5.190   3.927  12.992
  324   2H4     C  30          2H4         C  30   5.000   2.272  12.458
  325    H5     C  30           H5         C  30   2.959   1.362  11.693
  326    H6     C  30           H6         C  30   0.574   1.821  11.248
  327   1H5*    G  31          1H5*        G  31  -2.490   6.281   7.654
  328   2H5*    G  31          2H5*        G  31  -2.084   6.855   6.036
  329    H4*    G  31           H4*        G  31  -1.737   8.595   7.695
  330    H3*    G  31           H3*        G  31   0.736   7.538   6.324
  331    H2*    G  31           H2*        G  31   1.994   9.250   7.359
  332   2HO*    G  31          2HO*        G  31   0.879  11.069   8.061
  333    H1*    G  31           H1*        G  31   0.828   8.905   9.880
  334    H8     G  31           H8         G  31   1.325   5.595   8.219
  335    H1     G  31           H1         G  31   6.637   7.835  11.161
  336   1H2     G  31          1H2         G  31   6.336   9.794  11.729
  337   2H2     G  31          2H2         G  31   4.863  10.697  11.450
  338   1H5*    A  32          1H5*        A  32   0.198  11.621   5.992
  339   2H5*    A  32          2H5*        A  32   0.471  12.343   4.407
  340    H4*    A  32           H4*        A  32   1.676  13.670   5.917
  341    H3*    A  32           H3*        A  32   3.402  11.842   4.311
  342    H2*    A  32           H2*        A  32   5.362  12.524   5.442
  343   2HO*    A  32          2HO*        A  32   3.509  14.533   6.175
  344    H1*    A  32           H1*        A  32   4.236  12.315   7.998
  345    H8     A  32           H8         A  32   3.042   9.537   5.801
  346   1H6     A  32          1H6         A  32   8.158   6.404   7.522
  347   2H6     A  32          2H6         A  32   6.631   6.271   6.678
  348    H2     A  32           H2         A  32   8.520  10.578   9.001
  349   1H5*    G  33          1H5*        G  33   5.230  15.500   4.654
  350   2H5*    G  33          2H5*        G  33   5.494  16.282   3.097
  351    H4*    G  33           H4*        G  33   7.515  16.564   4.197
  352    H3*    G  33           H3*        G  33   7.664  14.243   2.305
  353    H2*    G  33           H2*        G  33   9.917  13.840   2.903
  354   2HO*    G  33          2HO*        G  33  10.217  16.201   2.986
  355    H1*    G  33           H1*        G  33   9.450  14.050   5.660
  356    H8     G  33           H8         G  33   6.631  12.287   3.944
  357    H1     G  33           H1         G  33  11.621   8.423   5.376
  358   1H2     G  33          1H2         G  33  13.220   9.566   5.999
  359   2H2     G  33          2H2         G  33  13.211  11.311   6.117
  360   1H5*    U  34          1H5*        U  34  11.022  16.203   1.878
  361   2H5*    U  34          2H5*        U  34  11.372  16.808   0.260
  362    H4*    U  34           H4*        U  34  13.310  15.676   0.917
  363    H3*    U  34           H3*        U  34  11.653  13.934  -0.908
  364    H2*    U  34           H2*        U  34  13.414  12.359  -0.933
  365   2HO*    U  34          2HO*        U  34  14.992  14.118   0.660
  366    H1*    U  34           H1*        U  34  13.875  12.453   1.816
  367    H3     U  34           H3         U  34  11.898   8.413   1.299
  368    H5     U  34           H5         U  34   8.734  11.130   0.908
  369    H6     U  34           H6         U  34  10.401  12.927   0.963
  370   1H5*    C  35          1H5*        C  35  15.139  13.941  -2.525
  371   2H5*    C  35          2H5*        C  35  15.273  14.284  -4.250
  372    H4*    C  35           H4*        C  35  16.246  12.179  -3.980
  373    H3*    C  35           H3*        C  35  13.380  11.720  -4.879
  374    H2*    C  35           H2*        C  35  14.069   9.523  -5.386
  375   2HO*    C  35          2HO*        C  35  16.119   9.357  -6.119
  376    H1*    C  35           H1*        C  35  15.615   9.172  -3.102
  377   1H4     C  35          1H4         C  35   9.909   6.905  -1.377
  378   2H4     C  35          2H4         C  35   9.333   8.538  -1.134
  379    H5     C  35           H5         C  35  10.596  10.469  -1.637
  380    H6     C  35           H6         C  35  12.747  11.316  -2.507
  381   1H5*    C  36          1H5*        C  36  15.620  10.388  -7.929
  382   2H5*    C  36          2H5*        C  36  14.963  10.668  -9.541
  383    H4*    C  36           H4*        C  36  15.171   8.323  -9.256
  384    H3*    C  36           H3*        C  36  12.288   9.214  -9.003
  385    H2*    C  36           H2*        C  36  11.676   6.933  -9.114
  386   2HO*    C  36          2HO*        C  36  13.876   6.988 -10.582
  387    H1*    C  36           H1*        C  36  13.680   6.072  -7.359
  388   1H4     C  36          1H4         C  36   8.717   6.868  -3.452
  389   2H4     C  36          2H4         C  36   8.809   8.602  -3.656
  390    H5     C  36           H5         C  36  10.326   9.677  -5.112
  391    H6     C  36           H6         C  36  12.148   9.350  -6.748
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.756  -3.057  -1.949
    2   2H5*    G   1          2H5*        G   1   5.918  -3.606  -0.743
    3    H4*    G   1           H4*        G   1   6.931  -3.239  -2.953
    4    H3*    G   1           H3*        G   1   7.900  -1.519  -0.664
    5    H2*    G   1           H2*        G   1   9.528  -0.627  -2.063
    6   2HO*    G   1          2HO*        G   1   8.935  -3.021  -3.540
    7    H1*    G   1           H1*        G   1   7.996  -0.734  -4.453
    8    H8     G   1           H8         G   1   5.913   0.711  -1.768
    9    H1     G   1           H1         G   1  10.071   4.989  -4.276
   10   1H2     G   1          1H2         G   1  11.441   4.004  -5.462
   11   2H2     G   1          2H2         G   1  11.460   2.277  -5.735
   12   1H5*    G   2          1H5*        G   2  11.217  -3.555  -1.840
   13   2H5*    G   2          2H5*        G   2  12.245  -4.135  -0.530
   14    H4*    G   2           H4*        G   2  13.619  -2.700  -1.739
   15    H3*    G   2           H3*        G   2  12.468  -1.063   0.547
   16    H2*    G   2           H2*        G   2  14.166   0.504   0.062
   17   2HO*    G   2          2HO*        G   2  16.002  -0.252  -1.050
   18    H1*    G   2           H1*        G   2  13.893   0.339  -2.707
   19    H8     G   2           H8         G   2  10.724   0.119  -0.614
   20    H1     G   2           H1         G   2  12.269   6.081  -2.604
   21   1H2     G   2          1H2         G   2  14.112   6.043  -3.528
   22   2H2     G   2          2H2         G   2  15.093   4.609  -3.732
   23   1H5*    A   3          1H5*        A   3  16.295  -1.218   1.280
   24   2H5*    A   3          2H5*        A   3  16.839  -1.362   2.951
   25    H4*    A   3           H4*        A   3  17.683   0.689   2.188
   26    H3*    A   3           H3*        A   3  15.171   1.207   3.807
   27    H2*    A   3           H2*        A   3  15.808   3.485   3.826
   28   2HO*    A   3          2HO*        A   3  18.133   3.554   2.586
   29    H1*    A   3           H1*        A   3  16.543   3.531   1.121
   30    H8     A   3           H8         A   3  13.466   1.471   1.802
   31   1H6     A   3          1H6         A   3  10.205   6.718   0.915
   32   2H6     A   3          2H6         A   3  10.073   4.990   1.149
   33    H2     A   3           H2         A   3  14.525   7.759   0.976
   34   1H5*    C   4          1H5*        C   4  18.350   2.807   5.790
   35   2H5*    C   4          2H5*        C   4  18.311   2.843   7.553
   36    H4*    C   4           H4*        C   4  18.472   5.086   6.693
   37    H3*    C   4           H3*        C   4  15.783   4.438   7.924
   38    H2*    C   4           H2*        C   4  15.294   6.749   7.840
   39   2HO*    C   4          2HO*        C   4  17.879   6.782   8.231
   40    H1*    C   4           H1*        C   4  16.284   7.107   5.250
   41   1H4     C   4          1H4         C   4  10.037   6.067   4.429
   42   2H4     C   4          2H4         C   4  10.325   4.344   4.517
   43    H5     C   4           H5         C   4  12.424   3.385   5.020
   44    H6     C   4           H6         C   4  14.786   3.849   5.569
   45   1H5*    U   5          1H5*        U   5  17.484   7.346  10.150
   46   2H5*    U   5          2H5*        U   5  17.195   7.365  11.889
   47    H4*    U   5           H4*        U   5  16.370   9.393  10.820
   48    H3*    U   5           H3*        U   5  14.254   7.578  11.997
   49    H2*    U   5           H2*        U   5  12.706   9.339  11.697
   50   2HO*    U   5          2HO*        U   5  14.993  10.905  10.926
   51    H1*    U   5           H1*        U   5  13.592   9.991   9.124
   52    H3     U   5           H3         U   5   9.467   8.085   8.626
   53    H5     U   5           H5         U   5  12.111   4.854   8.949
   54    H6     U   5           H6         U   5  13.860   6.471   9.534
   55   1H5*    C   6          1H5*        C   6  14.041  11.095  14.027
   56   2H5*    C   6          2H5*        C   6  13.939  10.970  15.782
   57    H4*    C   6           H4*        C   6  12.116  12.301  15.062
   58    H3*    C   6           H3*        C   6  11.263   9.511  15.842
   59    H2*    C   6           H2*        C   6   9.010  10.195  15.632
   60   2HO*    C   6          2HO*        C   6   9.164  12.201  16.592
   61    H1*    C   6           H1*        C   6   9.399  11.546  13.214
   62   1H4     C   6          1H4         C   6   7.443   5.725  11.464
   63   2H4     C   6          2H4         C   6   9.077   5.130  11.659
   64    H5     C   6           H5         C   6  10.857   6.424  12.516
   65    H6     C   6           H6         C   6  11.514   8.631  13.405
   66   1H5*    G   7          1H5*        G   7   9.388  12.557  17.974
   67   2H5*    G   7          2H5*        G   7   9.080  12.283  19.688
   68    H4*    G   7           H4*        G   7   7.030  12.959  18.731
   69    H3*    G   7           H3*        G   7   7.165  10.045  19.394
   70    H2*    G   7           H2*        G   7   4.983   9.675  18.569
   71   2HO*    G   7          2HO*        G   7   3.644  11.392  18.732
   72    H1*    G   7           H1*        G   7   5.407  11.210  16.230
   73    H8     G   7           H8         G   7   8.305   8.991  17.094
   74    H1     G   7           H1         G   7   3.688   6.042  13.648
   75   1H2     G   7          1H2         G   7   2.032   7.266  13.526
   76   2H2     G   7          2H2         G   7   1.914   8.854  14.249
   77   1H5*    G   8          1H5*        G   8   3.471  10.276  19.995
   78   2H5*    G   8          2H5*        G   8   3.290  10.661  21.706
   79    H4*    G   8           H4*        G   8   1.630   9.094  21.358
   80    H3*    G   8           H3*        G   8   4.032   7.875  22.601
   81    H2*    G   8           H2*        G   8   3.226   5.664  22.388
   82   2HO*    G   8          2HO*        G   8   0.990   5.405  21.866
   83    H1*    G   8           H1*        G   8   2.441   5.982  19.709
   84    H8     G   8           H8         G   8   5.686   7.714  20.289
   85    H1     G   8           H1         G   8   6.319   1.348  19.315
   86   1H2     G   8          1H2         G   8   4.461   0.454  19.370
   87   2H2     G   8          2H2         G   8   2.956   1.303  19.638
   88   1H5*    C   9          1H5*        C   9   1.064   6.208  24.156
   89   2H5*    C   9          2H5*        C   9   0.931   5.712  25.843
   90    H4*    C   9           H4*        C   9   1.078   3.787  24.367
   91    H3*    C   9           H3*        C   9   3.609   4.112  26.024
   92    H2*    C   9           H2*        C   9   3.886   1.799  25.620
   93   2HO*    C   9          2HO*        C   9   1.130   2.167  25.313
   94    H1*    C   9           H1*        C   9   3.067   1.934  22.946
   95   1H4     C   9          1H4         C   9   9.445   2.337  22.756
   96   2H4     C   9          2H4         C   9   9.317   4.067  22.977
   97    H5     C   9           H5         C   9   7.286   5.194  23.402
   98    H6     C   9           H6         C   9   4.851   4.933  23.722
   99   1H5*    U  10          1H5*        U  10   1.569   0.989  27.471
  100   2H5*    U  10          2H5*        U  10   1.628   0.694  29.209
  101    H4*    U  10           H4*        U  10   2.420  -1.254  28.078
  102    H3*    U  10           H3*        U  10   4.577   0.311  29.489
  103    H2*    U  10           H2*        U  10   6.120  -1.403  28.984
  104   2HO*    U  10          2HO*        U  10   4.770  -3.141  29.437
  105    H1*    U  10           H1*        U  10   5.284  -1.699  26.326
  106    H3     U  10           H3         U  10   9.452   0.194  26.224
  107    H5     U  10           H5         U  10   6.818   3.395  26.816
  108    H6     U  10           H6         U  10   5.038   1.741  27.144
  109   1H5*    U  11          1H5*        U  11   4.577  -3.524  30.867
  110   2H5*    U  11          2H5*        U  11   4.700  -3.756  32.610
  111    H4*    U  11           H4*        U  11   6.411  -5.041  31.553
  112    H3*    U  11           H3*        U  11   7.410  -2.613  33.026
  113    H2*    U  11           H2*        U  11   9.638  -3.268  32.587
  114   2HO*    U  11          2HO*        U  11   9.060  -5.500  33.012
  115    H1*    U  11           H1*        U  11   9.143  -3.896  29.891
  116    H3     U  11           H3         U  11  11.807  -0.201  29.779
  117    H5     U  11           H5         U  11   7.986   1.288  30.628
  118    H6     U  11           H6         U  11   7.245  -1.036  30.885
  119   1H5*    G  12          1H5*        G  12   9.466  -5.993  34.325
  120   2H5*    G  12          2H5*        G  12   9.419  -6.192  36.077
  121    H4*    G  12           H4*        G  12  11.659  -6.468  35.591
  122    H3*    G  12           H3*        G  12  11.127  -3.679  36.515
  123    H2*    G  12           H2*        G  12  13.352  -3.013  36.136
  124   2HO*    G  12          2HO*        G  12  14.921  -4.716  35.827
  125    H1*    G  12           H1*        G  12  13.574  -4.283  33.639
  126    H8     G  12           H8         G  12  10.344  -2.472  34.540
  127    H1     G  12           H1         G  12  14.625   1.060  31.210
  128   1H2     G  12          1H2         G  12  16.377  -0.006  30.993
  129   2H2     G  12          2H2         G  12  16.646  -1.616  31.619
  130   1H5*    C  13          1H5*        C  13  14.473  -5.364  38.191
  131   2H5*    C  13          2H5*        C  13  14.755  -5.168  39.920
  132    H4*    C  13           H4*        C  13  16.743  -4.494  38.871
  133    H3*    C  13           H3*        C  13  15.098  -2.180  39.833
  134    H2*    C  13           H2*        C  13  16.706  -0.638  39.045
  135   2HO*    C  13          2HO*        C  13  18.140  -3.025  39.199
  136    H1*    C  13           H1*        C  13  17.020  -1.911  36.559
  137   1H4     C  13          1H4         C  13  12.808   2.723  35.355
  138   2H4     C  13          2H4         C  13  11.548   1.779  36.118
  139    H5     C  13           H5         C  13  11.924  -0.282  37.206
  140    H6     C  13           H6         C  13  13.620  -1.963  37.836
  141   1H5*    U  14          1H5*        U  14  18.824  -1.608  41.165
  142   2H5*    U  14          2H5*        U  14  19.065  -1.081  42.831
  143    H4*    U  14           H4*        U  14  20.061   0.532  41.388
  144    H3*    U  14           H3*        U  14  17.552   1.435  42.759
  145    H2*    U  14           H2*        U  14  17.724   3.573  41.766
  146   2HO*    U  14          2HO*        U  14  19.757   4.223  41.259
  147    H1*    U  14           H1*        U  14  18.311   2.563  39.206
  148    H3     U  14           H3         U  14  14.171   4.234  38.538
  149    H5     U  14           H5         U  14  13.489   0.884  40.955
  150    H6     U  14           H6         U  14  15.922   0.655  41.156
  151   1H5*    G  15          1H5*        G  15  20.562   4.378  43.739
  152   2H5*    G  15          2H5*        G  15  20.441   4.826  45.441
  153    H4*    G  15           H4*        G  15  20.276   6.830  44.210
  154    H3*    G  15           H3*        G  15  17.596   5.912  45.238
  155    H2*    G  15           H2*        G  15  16.628   7.916  44.443
  156   2HO*    G  15          2HO*        G  15  18.335   9.250  45.122
  157    H1*    G  15           H1*        G  15  17.930   7.829  41.964
  158    H8     G  15           H8         G  15  16.826   4.438  43.157
  159    H1     G  15           H1         G  15  12.261   7.719  39.951
  160   1H2     G  15          1H2         G  15  12.899   9.654  39.633
  161   2H2     G  15          2H2         G  15  14.441  10.293  40.156
  162   1H5*    G  16          1H5*        G  16  18.096   9.138  47.798
  163   2H5*    G  16          2H5*        G  16  17.072   9.003  49.228
  164    H4*    G  16           H4*        G  16  16.110  10.345  47.349
  165    H3*    G  16           H3*        G  16  14.540   7.902  48.244
  166    H2*    G  16           H2*        G  16  12.701   8.915  47.159
  167   2HO*    G  16          2HO*        G  16  13.920  11.262  46.414
  168    H1*    G  16           H1*        G  16  14.184   9.745  44.930
  169    H8     G  16           H8         G  16  15.226   6.347  46.133
  170    H1     G  16           H1         G  16  10.138   6.262  42.135
  171   1H2     G  16          1H2         G  16   9.481   8.190  41.814
  172   2H2     G  16          2H2         G  16  10.202   9.619  42.524
  173   1H5*    A  17          1H5*        A  17  12.203   6.853  50.876
  174   2H5*    A  17          2H5*        A  17  11.916   6.646  49.148
  175    H4*    A  17           H4*        A  17   9.872   6.437  50.514
  176    H3*    A  17           H3*        A  17   9.886   8.796  48.598
  177    H2*    A  17           H2*        A  17   7.535   8.758  48.844
  178   2HO*    A  17          2HO*        A  17   7.243   6.569  50.424
  179    H1*    A  17           H1*        A  17   7.601   8.315  51.606
  180    H8     A  17           H8         A  17  10.313  10.658  51.282
  181   1H6     A  17          1H6         A  17   6.175  15.262  50.498
  182   2H6     A  17          2H6         A  17   7.856  14.909  50.823
  183    H2     A  17           H2         A  17   4.042  11.389  50.067
  184   1H5*    G  18          1H5*        G  18   6.128   8.381  47.593
  185   2H5*    G  18          2H5*        G  18   6.182   8.368  45.831
  186    H4*    G  18           H4*        G  18   5.508  10.524  47.228
  187    H3*    G  18           H3*        G  18   6.642  10.175  44.550
  188    H2*    G  18           H2*        G  18   8.131  11.896  44.765
  189   2HO*    G  18          2HO*        G  18   6.964  13.745  44.337
  190    H1*    G  18           H1*        G  18   7.137  13.179  47.204
  191    H8     G  18           H8         G  18   9.353  10.120  46.480
  192    H1     G  18           H1         G  18  12.281  15.075  49.440
  193   1H2     G  18          1H2         G  18  10.934  16.612  49.706
  194   2H2     G  18          2H2         G  18   9.258  16.567  49.201
  195   1H5*    A  19          1H5*        A  19   3.239  13.742  41.735
  196   2H5*    A  19          2H5*        A  19   4.004  12.264  41.148
  197    H4*    A  19           H4*        A  19   4.876  14.836  40.702
  198    H3*    A  19           H3*        A  19   6.236  12.160  40.446
  199    H2*    A  19           H2*        A  19   8.229  13.252  39.797
  200   2HO*    A  19          2HO*        A  19   7.946  15.666  39.466
  201    H1*    A  19           H1*        A  19   8.014  15.232  41.803
  202    H8     A  19           H8         A  19   7.958  11.424  41.472
  203   1H6     A  19          1H6         A  19  12.436  11.457  45.819
  204   2H6     A  19          2H6         A  19  11.517  10.433  44.740
  205    H2     A  19           H2         A  19  11.039  15.634  45.232
  206   1H5*    C  20          1H5*        C  20   5.951  10.976  35.430
  207   2H5*    C  20          2H5*        C  20   6.099  10.293  37.050
  208    H4*    C  20           H4*        C  20   7.056  13.073  36.357
  209    H3*    C  20           H3*        C  20   8.382  10.491  35.775
  210    H2*    C  20           H2*        C  20  10.424  11.094  36.798
  211   2HO*    C  20          2HO*        C  20  10.166  13.502  37.702
  212    H1*    C  20           H1*        C  20   9.270  12.062  39.136
  213   1H4     C  20          1H4         C  20  10.654   5.835  40.021
  214   2H4     C  20          2H4         C  20   8.934   5.537  39.907
  215    H5     C  20           H5         C  20   7.351   7.179  39.293
  216    H6     C  20           H6         C  20   7.027   9.536  38.630
  217   1H5*    G  21          1H5*        G  21  11.037  13.503  34.932
  218   2H5*    G  21          2H5*        G  21  11.529  13.546  33.240
  219    H4*    G  21           H4*        G  21  13.498  13.768  34.518
  220    H3*    G  21           H3*        G  21  13.164  11.116  33.202
  221    H2*    G  21           H2*        G  21  15.106  10.232  34.204
  222   2HO*    G  21          2HO*        G  21  16.561  11.856  34.188
  223    H1*    G  21           H1*        G  21  14.497  11.344  36.754
  224    H8     G  21           H8         G  21  11.522   9.717  35.215
  225    H1     G  21           H1         G  21  15.461   5.543  38.205
  226   1H2     G  21          1H2         G  21  17.227   6.491  38.693
  227   2H2     G  21          2H2         G  21  17.586   8.167  38.344
  228   1H5*    G  22          1H5*        G  22  17.253  11.955  32.786
  229   2H5*    G  22          2H5*        G  22  17.678  11.842  31.078
  230    H4*    G  22           H4*        G  22  19.195  10.464  32.254
  231    H3*    G  22           H3*        G  22  17.095   8.914  30.764
  232    H2*    G  22           H2*        G  22  18.102   6.880  31.420
  233   2HO*    G  22          2HO*        G  22  20.225   7.736  31.077
  234    H1*    G  22           H1*        G  22  18.455   7.683  34.096
  235    H8     G  22           H8         G  22  15.138   8.772  32.756
  236    H1     G  22           H1         G  22  15.186   2.672  34.915
  237   1H2     G  22          1H2         G  22  17.128   2.093  35.303
  238   2H2     G  22          2H2         G  22  18.533   3.111  35.077
  239   1H5*    C  23          1H5*        C  23  20.618   7.304  29.954
  240   2H5*    C  23          2H5*        C  23  21.077   7.194  28.255
  241    H4*    C  23           H4*        C  23  21.455   5.055  29.091
  242    H3*    C  23           H3*        C  23  18.811   5.155  27.655
  243    H2*    C  23           H2*        C  23  18.551   2.830  27.989
  244   2HO*    C  23          2HO*        C  23  21.296   3.139  28.774
  245    H1*    C  23           H1*        C  23  19.365   2.916  30.681
  246   1H4     C  23          1H4         C  23  12.994   3.048  30.987
  247   2H4     C  23          2H4         C  23  13.013   4.750  30.585
  248    H5     C  23           H5         C  23  14.969   5.946  30.020
  249    H6     C  23           H6         C  23  17.414   5.802  29.699
  250   1H5*    A  24          1H5*        A  24  21.463   2.226  25.962
  251   2H5*    A  24          2H5*        A  24  21.165   1.810  24.274
  252    H4*    A  24           H4*        A  24  20.967  -0.153  25.667
  253    H3*    A  24           H3*        A  24  18.454   0.836  24.356
  254    H2*    A  24           H2*        A  24  17.241  -0.990  25.238
  255   2HO*    A  24          2HO*        A  24  19.882  -1.858  25.374
  256    H1*    A  24           H1*        A  24  18.332  -0.753  27.814
  257    H8     A  24           H8         A  24  17.557   2.531  26.123
  258   1H6     A  24          1H6         A  24  11.929   2.134  28.794
  259   2H6     A  24          2H6         A  24  12.989   3.174  27.868
  260    H2     A  24           H2         A  24  14.081  -1.687  29.512
  261   1H5*    A  25          1H5*        A  25  19.169  -3.169  23.443
  262   2H5*    A  25          2H5*        A  25  18.680  -3.753  21.852
  263    H4*    A  25           H4*        A  25  17.587  -5.040  23.571
  264    H3*    A  25           H3*        A  25  15.819  -3.262  21.914
  265    H2*    A  25           H2*        A  25  13.909  -4.082  23.033
  266   2HO*    A  25          2HO*        A  25  14.785  -6.245  22.979
  267    H1*    A  25           H1*        A  25  15.053  -3.912  25.591
  268    H8     A  25           H8         A  25  16.026  -0.968  23.509
  269   1H6     A  25          1H6         A  25  10.726   1.728  25.403
  270   2H6     A  25          2H6         A  25  12.232   2.002  24.557
  271    H2     A  25           H2         A  25  10.663  -2.523  26.697
  272   1H5*    G  26          1H5*        G  26  14.137  -6.873  21.925
  273   2H5*    G  26          2H5*        G  26  13.848  -7.603  20.345
  274    H4*    G  26           H4*        G  26  11.812  -7.784  21.481
  275    H3*    G  26           H3*        G  26  11.753  -5.468  19.553
  276    H2*    G  26           H2*        G  26   9.522  -5.056  20.107
  277   2HO*    G  26          2HO*        G  26   9.832  -7.768  20.887
  278    H1*    G  26           H1*        G  26   9.733  -5.573  22.844
  279    H8     G  26           H8         G  26  12.775  -3.783  21.603
  280    H1     G  26           H1         G  26   7.826   0.154  22.976
  281   1H2     G  26          1H2         G  26   6.129  -0.967  23.319
  282   2H2     G  26          2H2         G  26   6.057  -2.713  23.245
  283   1H5*    A  27          1H5*        A  27   9.892  -9.035  17.323
  284   2H5*    A  27          2H5*        A  27   9.528  -8.521  15.675
  285    H4*    A  27           H4*        A  27   7.843  -8.047  17.601
  286    H3*    A  27           H3*        A  27   8.573  -5.809  15.673
  287    H2*    A  27           H2*        A  27   6.450  -4.970  16.273
  288   2HO*    A  27          2HO*        A  27   6.206  -7.722  16.822
  289    H1*    A  27           H1*        A  27   6.663  -5.646  18.972
  290    H8     A  27           H8         A  27   9.962  -4.504  17.608
  291   1H6     A  27          1H6         A  27   8.163   1.299  19.037
  292   2H6     A  27          2H6         A  27   9.513   0.325  18.500
  293    H2     A  27           H2         A  27   4.685  -1.411  19.590
  294   1H5*    G  28          1H5*        G  28   5.258  -7.985  13.211
  295   2H5*    G  28          2H5*        G  28   4.925  -6.961  11.814
  296    H4*    G  28           H4*        G  28   3.189  -7.052  13.693
  297    H3*    G  28           H3*        G  28   4.209  -4.493  12.469
  298    H2*    G  28           H2*        G  28   2.628  -3.282  13.743
  299   2HO*    G  28          2HO*        G  28   1.504  -5.755  13.544
  300    H1*    G  28           H1*        G  28   3.138  -4.672  16.120
  301    H8     G  28           H8         G  28   6.313  -4.100  14.236
  302    H1     G  28           H1         G  28   4.478   0.971  17.813
  303   1H2     G  28          1H2         G  28   2.564   0.662  18.517
  304   2H2     G  28          2H2         G  28   1.600  -0.760  18.186
  305   1H5*    G  29          1H5*        G  29   0.453  -4.799   9.950
  306   2H5*    G  29          2H5*        G  29   0.688  -3.363   8.952
  307    H4*    G  29           H4*        G  29  -0.178  -3.375  11.544
  308    H3*    G  29           H3*        G  29   1.389  -0.991  10.557
  309    H2*    G  29           H2*        G  29  -0.259   0.089  11.865
  310   2HO*    G  29          2HO*        G  29  -1.958  -2.012  12.265
  311    H1*    G  29           H1*        G  29  -0.431  -1.976  13.753
  312    H8     G  29           H8         G  29   3.113  -1.460  12.692
  313    H1     G  29           H1         G  29   1.166   2.654  17.294
  314   1H2     G  29          1H2         G  29  -0.875   2.497  17.539
  315   2H2     G  29          2H2         G  29  -1.906   1.413  16.633
  316   1H5*    C  30          1H5*        C  30  -1.842   0.743  11.613
  317   2H5*    C  30          2H5*        C  30  -2.651   0.611  10.052
  318    H4*    C  30           H4*        C  30  -3.286   2.719  10.413
  319    H3*    C  30           H3*        C  30  -0.512   3.008   9.395
  320    H2*    C  30           H2*        C  30  -0.345   5.278  10.017
  321   2HO*    C  30          2HO*        C  30  -3.108   5.001  10.776
  322    H1*    C  30           H1*        C  30  -1.315   4.960  12.585
  323   1H4     C  30          1H4         C  30   4.990   4.116  13.184
  324   2H4     C  30          2H4         C  30   4.785   2.426  12.780
  325    H5     C  30           H5         C  30   2.731   1.473  12.108
  326    H6     C  30           H6         C  30   0.343   1.913  11.654
  327   1H5*    G  31          1H5*        G  31  -2.783   6.056   7.960
  328   2H5*    G  31          2H5*        G  31  -2.525   6.638   6.316
  329    H4*    G  31           H4*        G  31  -2.107   8.426   7.855
  330    H3*    G  31           H3*        G  31   0.375   7.330   6.529
  331    H2*    G  31           H2*        G  31   1.610   9.109   7.475
  332   2HO*    G  31          2HO*        G  31  -0.971  10.077   7.440
  333    H1*    G  31           H1*        G  31   0.438   8.876  10.009
  334    H8     G  31           H8         G  31   1.075   5.542   8.398
  335    H1     G  31           H1         G  31   6.167   7.933  11.595
  336   1H2     G  31          1H2         G  31   5.779   9.880  12.153
  337   2H2     G  31          2H2         G  31   4.294  10.738  11.805
  338   1H5*    A  32          1H5*        A  32  -0.220  11.352   5.943
  339   2H5*    A  32          2H5*        A  32   0.171  12.052   4.373
  340    H4*    A  32           H4*        A  32   1.289  13.325   6.045
  341    H3*    A  32           H3*        A  32   3.080  11.590   4.376
  342    H2*    A  32           H2*        A  32   4.990  12.387   5.520
  343   2HO*    A  32          2HO*        A  32   3.397  14.457   5.663
  344    H1*    A  32           H1*        A  32   3.864  12.112   8.068
  345    H8     A  32           H8         A  32   2.839   9.275   5.858
  346   1H6     A  32          1H6         A  32   8.106   6.426   7.614
  347   2H6     A  32          2H6         A  32   6.596   6.210   6.758
  348    H2     A  32           H2         A  32   8.226  10.609   9.104
  349   1H5*    G  33          1H5*        G  33   4.689  15.264   4.608
  350   2H5*    G  33          2H5*        G  33   4.945  16.086   3.069
  351    H4*    G  33           H4*        G  33   6.954  16.366   4.211
  352    H3*    G  33           H3*        G  33   7.144  14.167   2.187
  353    H2*    G  33           H2*        G  33   9.394  13.742   2.769
  354   2HO*    G  33          2HO*        G  33   9.965  15.477   4.661
  355    H1*    G  33           H1*        G  33   8.881  13.848   5.549
  356    H8     G  33           H8         G  33   6.214  11.959   3.755
  357    H1     G  33           H1         G  33  11.456   8.395   5.058
  358   1H2     G  33          1H2         G  33  12.976   9.621   5.719
  359   2H2     G  33          2H2         G  33  12.850  11.357   5.894
  360   1H5*    U  34          1H5*        U  34  10.345  16.418   1.593
  361   2H5*    U  34          2H5*        U  34  10.668  17.001  -0.040
  362    H4*    U  34           H4*        U  34  12.612  15.866   0.648
  363    H3*    U  34           H3*        U  34  10.979  14.097  -1.191
  364    H2*    U  34           H2*        U  34  12.848  12.660  -1.299
  365   2HO*    U  34          2HO*        U  34  14.233  14.722   0.152
  366    H1*    U  34           H1*        U  34  13.421  12.810   1.442
  367    H3     U  34           H3         U  34  11.906   8.565   0.846
  368    H5     U  34           H5         U  34   8.434  10.907   0.850
  369    H6     U  34           H6         U  34   9.886  12.884   0.847
  370   1H5*    C  35          1H5*        C  35  14.423  14.739  -3.084
  371   2H5*    C  35          2H5*        C  35  14.405  14.902  -4.840
  372    H4*    C  35           H4*        C  35  15.706  12.992  -4.326
  373    H3*    C  35           H3*        C  35  12.953  12.103  -5.253
  374    H2*    C  35           H2*        C  35  13.936   9.984  -5.583
  375   2HO*    C  35          2HO*        C  35  16.522  10.905  -4.956
  376    H1*    C  35           H1*        C  35  15.427  10.006  -3.230
  377   1H4     C  35          1H4         C  35   9.999   7.078  -1.584
  378   2H4     C  35          2H4         C  35   9.227   8.635  -1.389
  379    H5     C  35           H5         C  35  10.260  10.692  -1.920
  380    H6     C  35           H6         C  35  12.309  11.770  -2.778
  381   1H5*    C  36          1H5*        C  36  15.498  11.022  -8.101
  382   2H5*    C  36          2H5*        C  36  14.974  11.058  -9.785
  383    H4*    C  36           H4*        C  36  15.496   8.813  -9.302
  384    H3*    C  36           H3*        C  36  12.499   9.234  -9.248
  385    H2*    C  36           H2*        C  36  12.263   6.882  -9.173
  386   2HO*    C  36          2HO*        C  36  13.789   6.225 -10.623
  387    H1*    C  36           H1*        C  36  14.295   6.525  -7.269
  388   1H4     C  36          1H4         C  36   9.017   6.678  -3.704
  389   2H4     C  36          2H4         C  36   8.870   8.401  -3.972
  390    H5     C  36           H5         C  36  10.300   9.638  -5.388
  391    H6     C  36           H6         C  36  12.241   9.526  -6.910
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   3.436  -3.214  -1.767
    2   2H5*    G   1          2H5*        G   1   4.589  -3.690  -0.520
    3    H4*    G   1           H4*        G   1   5.599  -3.337  -2.760
    4    H3*    G   1           H3*        G   1   6.558  -1.640  -0.447
    5    H2*    G   1           H2*        G   1   8.217  -0.768  -1.826
    6   2HO*    G   1          2HO*        G   1   7.822  -2.597  -3.909
    7    H1*    G   1           H1*        G   1   6.710  -0.786  -4.218
    8    H8     G   1           H8         G   1   4.591   0.542  -1.494
    9    H1     G   1           H1         G   1   8.724   4.939  -3.830
   10   1H2     G   1          1H2         G   1  10.105   4.009  -5.047
   11   2H2     G   1          2H2         G   1  10.138   2.292  -5.383
   12   1H5*    G   2          1H5*        G   2  10.222  -4.071  -1.165
   13   2H5*    G   2          2H5*        G   2  10.953  -4.232   0.432
   14    H4*    G   2           H4*        G   2  12.437  -3.071  -1.105
   15    H3*    G   2           H3*        G   2  11.341  -1.306   1.108
   16    H2*    G   2           H2*        G   2  12.992   0.241   0.513
   17   2HO*    G   2          2HO*        G   2  14.534  -1.559   0.536
   18    H1*    G   2           H1*        G   2  12.871  -0.208  -2.253
   19    H8     G   2           H8         G   2   9.526  -0.183  -0.500
   20    H1     G   2           H1         G   2  11.543   5.636  -2.489
   21   1H2     G   2          1H2         G   2  13.486   5.498  -3.167
   22   2H2     G   2          2H2         G   2  14.428   4.024  -3.193
   23   1H5*    A   3          1H5*        A   3  15.624  -1.914   2.008
   24   2H5*    A   3          2H5*        A   3  15.798  -1.942   3.762
   25    H4*    A   3           H4*        A   3  17.259  -0.276   2.793
   26    H3*    A   3           H3*        A   3  14.988   0.758   4.480
   27    H2*    A   3           H2*        A   3  15.848   2.950   4.276
   28   2HO*    A   3          2HO*        A   3  18.041   1.420   3.996
   29    H1*    A   3           H1*        A   3  16.351   2.704   1.511
   30    H8     A   3           H8         A   3  13.078   1.166   2.450
   31   1H6     A   3          1H6         A   3  10.565   6.832   1.714
   32   2H6     A   3          2H6         A   3  10.198   5.140   1.968
   33    H2     A   3           H2         A   3  14.985   7.237   1.520
   34   1H5*    C   4          1H5*        C   4  18.545   2.385   6.163
   35   2H5*    C   4          2H5*        C   4  18.527   2.171   7.913
   36    H4*    C   4           H4*        C   4  18.947   4.470   7.449
   37    H3*    C   4           H3*        C   4  16.171   3.945   8.507
   38    H2*    C   4           H2*        C   4  15.821   6.278   8.645
   39   2HO*    C   4          2HO*        C   4  17.915   7.536   8.064
   40    H1*    C   4           H1*        C   4  16.887   6.836   6.128
   41   1H4     C   4          1H4         C   4  10.603   6.185   5.149
   42   2H4     C   4          2H4         C   4  10.836   4.461   4.955
   43    H5     C   4           H5         C   4  12.897   3.364   5.312
   44    H6     C   4           H6         C   4  15.265   3.654   5.949
   45   1H5*    U   5          1H5*        U   5  17.908   7.049  10.700
   46   2H5*    U   5          2H5*        U   5  17.514   6.908  12.414
   47    H4*    U   5           H4*        U   5  16.853   9.075  11.517
   48    H3*    U   5           H3*        U   5  14.621   7.254  12.423
   49    H2*    U   5           H2*        U   5  13.113   9.054  12.148
   50   2HO*    U   5          2HO*        U   5  14.692  10.511  13.086
   51    H1*    U   5           H1*        U   5  14.155   9.848   9.674
   52    H3     U   5           H3         U   5  10.020   8.052   8.873
   53    H5     U   5           H5         U   5  12.616   4.769   9.051
   54    H6     U   5           H6         U   5  14.355   6.312   9.832
   55   1H5*    C   6          1H5*        C   6  14.365  10.814  14.355
   56   2H5*    C   6          2H5*        C   6  14.242  10.718  16.111
   57    H4*    C   6           H4*        C   6  12.519  12.155  15.496
   58    H3*    C   6           H3*        C   6  11.470   9.387  15.997
   59    H2*    C   6           H2*        C   6   9.264  10.108  15.553
   60   2HO*    C   6          2HO*        C   6  10.504  12.707  15.453
   61    H1*    C   6           H1*        C   6   9.962  11.544  13.247
   62   1H4     C   6          1H4         C   6   8.038   5.881  11.023
   63   2H4     C   6          2H4         C   6   9.597   5.198  11.428
   64    H5     C   6           H5         C   6  11.294   6.378  12.571
   65    H6     C   6           H6         C   6  11.917   8.525  13.620
   66   1H5*    G   7          1H5*        G   7   9.262  12.440  17.961
   67   2H5*    G   7          2H5*        G   7   9.070  12.111  19.682
   68    H4*    G   7           H4*        G   7   6.954  12.788  18.993
   69    H3*    G   7           H3*        G   7   7.146   9.825  19.272
   70    H2*    G   7           H2*        G   7   4.947   9.495  18.475
   71   2HO*    G   7          2HO*        G   7   3.973  11.226  19.507
   72    H1*    G   7           H1*        G   7   5.246  11.247  16.297
   73    H8     G   7           H8         G   7   8.326   9.193  16.844
   74    H1     G   7           H1         G   7   3.776   6.178  13.367
   75   1H2     G   7          1H2         G   7   2.027   7.270  13.426
   76   2H2     G   7          2H2         G   7   1.824   8.778  14.289
   77   1H5*    G   8          1H5*        G   8   2.935   9.969  19.632
   78   2H5*    G   8          2H5*        G   8   2.920  10.115  21.390
   79    H4*    G   8           H4*        G   8   1.317   8.464  20.737
   80    H3*    G   8           H3*        G   8   3.741   7.459  22.173
   81    H2*    G   8           H2*        G   8   2.990   5.223  22.042
   82   2HO*    G   8          2HO*        G   8   0.636   6.633  21.235
   83    H1*    G   8           H1*        G   8   2.297   5.372  19.333
   84    H8     G   8           H8         G   8   5.438   7.289  19.962
   85    H1     G   8           H1         G   8   6.400   0.931  19.237
   86   1H2     G   8          1H2         G   8   4.584  -0.046  19.249
   87   2H2     G   8          2H2         G   8   3.032   0.739  19.428
   88   1H5*    C   9          1H5*        C   9   0.853   5.477  23.702
   89   2H5*    C   9          2H5*        C   9   0.934   5.057  25.412
   90    H4*    C   9           H4*        C   9   1.129   3.099  23.945
   91    H3*    C   9           H3*        C   9   3.685   3.678  25.490
   92    H2*    C   9           H2*        C   9   4.136   1.384  25.138
   93   2HO*    C   9          2HO*        C   9   2.107   0.249  24.128
   94    H1*    C   9           H1*        C   9   3.200   1.375  22.496
   95   1H4     C   9          1H4         C   9   9.513   2.237  21.998
   96   2H4     C   9          2H4         C   9   9.274   3.956  22.218
   97    H5     C   9           H5         C   9   7.189   4.941  22.731
   98    H6     C   9           H6         C   9   4.795   4.513  23.163
   99   1H5*    U  10          1H5*        U  10   1.756   0.450  26.994
  100   2H5*    U  10          2H5*        U  10   1.749   0.223  28.742
  101    H4*    U  10           H4*        U  10   2.510  -1.801  27.784
  102    H3*    U  10           H3*        U  10   4.669  -0.191  29.100
  103    H2*    U  10           H2*        U  10   6.282  -1.840  28.584
  104   2HO*    U  10          2HO*        U  10   3.869  -3.247  27.955
  105    H1*    U  10           H1*        U  10   5.447  -2.150  25.928
  106    H3     U  10           H3         U  10   9.533  -0.094  25.797
  107    H5     U  10           H5         U  10   6.788   2.995  26.476
  108    H6     U  10           H6         U  10   5.076   1.271  26.798
  109   1H5*    U  11          1H5*        U  11   4.961  -4.004  30.336
  110   2H5*    U  11          2H5*        U  11   4.903  -4.279  32.077
  111    H4*    U  11           H4*        U  11   6.760  -5.489  31.336
  112    H3*    U  11           H3*        U  11   7.560  -2.896  32.615
  113    H2*    U  11           H2*        U  11   9.847  -3.386  32.276
  114   2HO*    U  11          2HO*        U  11   9.820  -5.557  32.781
  115    H1*    U  11           H1*        U  11   9.511  -4.215  29.622
  116    H3     U  11           H3         U  11  11.689  -0.276  29.138
  117    H5     U  11           H5         U  11   7.798   0.860  30.191
  118    H6     U  11           H6         U  11   7.315  -1.513  30.573
  119   1H5*    G  12          1H5*        G  12   9.774  -6.097  34.042
  120   2H5*    G  12          2H5*        G  12   9.866  -6.218  35.799
  121    H4*    G  12           H4*        G  12  12.071  -6.448  35.058
  122    H3*    G  12           H3*        G  12  11.517  -3.719  36.152
  123    H2*    G  12           H2*        G  12  13.683  -2.977  35.647
  124   2HO*    G  12          2HO*        G  12  14.587  -4.945  36.477
  125    H1*    G  12           H1*        G  12  13.848  -4.181  33.128
  126    H8     G  12           H8         G  12  10.509  -2.656  34.102
  127    H1     G  12           H1         G  12  14.496   1.340  30.940
  128   1H2     G  12          1H2         G  12  16.333   0.434  30.699
  129   2H2     G  12          2H2         G  12  16.732  -1.172  31.270
  130   1H5*    C  13          1H5*        C  13  14.974  -5.254  37.707
  131   2H5*    C  13          2H5*        C  13  15.262  -5.080  39.438
  132    H4*    C  13           H4*        C  13  17.160  -4.186  38.384
  133    H3*    C  13           H3*        C  13  15.311  -2.061  39.416
  134    H2*    C  13           H2*        C  13  16.779  -0.363  38.671
  135   2HO*    C  13          2HO*        C  13  18.896  -0.922  38.568
  136    H1*    C  13           H1*        C  13  17.192  -1.522  36.150
  137   1H4     C  13          1H4         C  13  12.519   2.658  35.028
  138   2H4     C  13          2H4         C  13  11.384   1.641  35.890
  139    H5     C  13           H5         C  13  11.987  -0.348  37.009
  140    H6     C  13           H6         C  13  13.846  -1.868  37.584
  141   1H5*    U  14          1H5*        U  14  18.976  -1.071  40.430
  142   2H5*    U  14          2H5*        U  14  19.304  -0.728  42.128
  143    H4*    U  14           H4*        U  14  20.129   1.115  40.928
  144    H3*    U  14           H3*        U  14  17.533   1.689  42.311
  145    H2*    U  14           H2*        U  14  17.532   3.912  41.509
  146   2HO*    U  14          2HO*        U  14  20.193   3.119  40.783
  147    H1*    U  14           H1*        U  14  18.224   3.189  38.882
  148    H3     U  14           H3         U  14  13.954   4.501  38.270
  149    H5     U  14           H5         U  14  13.566   0.939  40.438
  150    H6     U  14           H6         U  14  16.009   0.920  40.653
  151   1H5*    G  15          1H5*        G  15  20.535   4.825  43.708
  152   2H5*    G  15          2H5*        G  15  20.241   4.968  45.441
  153    H4*    G  15           H4*        G  15  20.201   7.157  44.541
  154    H3*    G  15           H3*        G  15  17.538   6.081  45.357
  155    H2*    G  15           H2*        G  15  16.412   8.020  44.616
  156   2HO*    G  15          2HO*        G  15  18.627   9.384  43.685
  157    H1*    G  15           H1*        G  15  17.808   8.141  42.169
  158    H8     G  15           H8         G  15  16.837   4.643  43.108
  159    H1     G  15           H1         G  15  12.171   7.919  40.043
  160   1H2     G  15          1H2         G  15  12.714   9.901  39.882
  161   2H2     G  15          2H2         G  15  14.211  10.576  40.486
  162   1H5*    G  16          1H5*        G  16  16.594   9.795  46.405
  163   2H5*    G  16          2H5*        G  16  15.845   9.665  47.997
  164    H4*    G  16           H4*        G  16  14.244  10.415  46.330
  165    H3*    G  16           H3*        G  16  13.718   7.638  47.423
  166    H2*    G  16           H2*        G  16  11.569   7.792  46.450
  167   2HO*    G  16          2HO*        G  16  11.449  10.210  45.416
  168    H1*    G  16           H1*        G  16  12.524   8.933  44.055
  169    H8     G  16           H8         G  16  14.634   6.135  45.451
  170    H1     G  16           H1         G  16   9.870   4.174  41.534
  171   1H2     G  16          1H2         G  16   8.645   5.772  41.088
  172   2H2     G  16          2H2         G  16   8.873   7.399  41.685
  173   1H5*    A  17          1H5*        A  17  11.758   6.066  49.291
  174   2H5*    A  17          2H5*        A  17  11.007   6.005  47.696
  175    H4*    A  17           H4*        A  17   9.725   5.115  49.772
  176    H3*    A  17           H3*        A  17   8.449   6.913  47.686
  177    H2*    A  17           H2*        A  17   6.373   6.292  48.629
  178   2HO*    A  17          2HO*        A  17   6.448   4.446  50.145
  179    H1*    A  17           H1*        A  17   7.261   6.514  51.282
  180    H8     A  17           H8         A  17   8.816   9.376  49.663
  181   1H6     A  17          1H6         A  17   3.330  12.340  49.911
  182   2H6     A  17          2H6         A  17   5.040  12.547  49.611
  183    H2     A  17           H2         A  17   2.638   8.054  50.857
  184   1H5*    G  18          1H5*        G  18   4.712   5.017  47.346
  185   2H5*    G  18          2H5*        G  18   5.000   4.550  45.670
  186    H4*    G  18           H4*        G  18   3.235   6.187  45.777
  187    H3*    G  18           H3*        G  18   5.745   6.858  44.371
  188    H2*    G  18           H2*        G  18   5.244   9.143  44.107
  189   2HO*    G  18          2HO*        G  18   2.913   8.191  43.873
  190    H1*    G  18           H1*        G  18   4.323   9.498  46.742
  191    H8     G  18           H8         G  18   7.427   7.477  45.738
  192    H1     G  18           H1         G  18   8.591  13.372  48.143
  193   1H2     G  18          1H2         G  18   6.802  14.327  48.520
  194   2H2     G  18          2H2         G  18   5.223  13.635  48.228
  195   1H5*    A  19          1H5*        A  19   2.432   7.897  42.381
  196   2H5*    A  19          2H5*        A  19   1.956   7.340  40.777
  197    H4*    A  19           H4*        A  19   1.695   9.553  40.428
  198    H3*    A  19           H3*        A  19   4.407   8.825  39.621
  199    H2*    A  19           H2*        A  19   5.339  10.996  39.685
  200   2HO*    A  19          2HO*        A  19   3.444  12.600  40.472
  201    H1*    A  19           H1*        A  19   4.325  11.609  42.219
  202    H8     A  19           H8         A  19   5.881   8.339  40.922
  203   1H6     A  19          1H6         A  19  10.651   9.719  44.702
  204   2H6     A  19          2H6         A  19  10.048   8.549  43.549
  205    H2     A  19           H2         A  19   7.609  12.937  45.071
  206   1H5*    C  20          1H5*        C  20   4.535  12.020  37.316
  207   2H5*    C  20          2H5*        C  20   5.224  11.536  35.766
  208    H4*    C  20           H4*        C  20   6.618  13.012  37.354
  209    H3*    C  20           H3*        C  20   7.666  10.576  35.916
  210    H2*    C  20           H2*        C  20   9.833  11.071  36.718
  211   2HO*    C  20          2HO*        C  20   8.843  13.433  37.959
  212    H1*    C  20           H1*        C  20   8.980  11.623  39.333
  213   1H4     C  20          1H4         C  20  10.798   5.512  39.571
  214   2H4     C  20          2H4         C  20   9.284   5.036  38.837
  215    H5     C  20           H5         C  20   7.662   6.566  38.054
  216    H6     C  20           H6         C  20   7.090   8.952  37.783
  217   1H5*    G  21          1H5*        G  21  10.151  13.959  34.694
  218   2H5*    G  21          2H5*        G  21  10.738  13.691  33.053
  219    H4*    G  21           H4*        G  21  12.557  13.962  34.682
  220    H3*    G  21           H3*        G  21  12.330  11.330  33.227
  221    H2*    G  21           H2*        G  21  14.385  10.662  34.174
  222   2HO*    G  21          2HO*        G  21  14.660  13.209  35.412
  223    H1*    G  21           H1*        G  21  13.747  11.658  36.743
  224    H8     G  21           H8         G  21  10.833   9.900  35.221
  225    H1     G  21           H1         G  21  15.072   5.894  38.026
  226   1H2     G  21          1H2         G  21  16.787   6.933  38.507
  227   2H2     G  21          2H2         G  21  17.039   8.636  38.196
  228   1H5*    G  22          1H5*        G  22  16.185  12.441  32.532
  229   2H5*    G  22          2H5*        G  22  16.624  12.245  30.836
  230    H4*    G  22           H4*        G  22  18.133  10.973  32.202
  231    H3*    G  22           H3*        G  22  16.207   9.278  30.603
  232    H2*    G  22           H2*        G  22  17.473   7.382  31.222
  233   2HO*    G  22          2HO*        G  22  19.599   7.788  31.439
  234    H1*    G  22           H1*        G  22  17.729   8.155  33.907
  235    H8     G  22           H8         G  22  14.314   8.953  32.619
  236    H1     G  22           H1         G  22  14.981   2.811  34.546
  237   1H2     G  22          1H2         G  22  16.973   2.414  34.903
  238   2H2     G  22          2H2         G  22  18.270   3.572  34.709
  239   1H5*    C  23          1H5*        C  23  20.047   8.029  29.616
  240   2H5*    C  23          2H5*        C  23  20.257   7.988  27.865
  241    H4*    C  23           H4*        C  23  20.986   5.898  28.681
  242    H3*    C  23           H3*        C  23  18.300   5.767  27.343
  243    H2*    C  23           H2*        C  23  18.228   3.426  27.663
  244   2HO*    C  23          2HO*        C  23  20.323   2.523  28.594
  245    H1*    C  23           H1*        C  23  19.102   3.556  30.334
  246   1H4     C  23          1H4         C  23  12.753   3.192  30.821
  247   2H4     C  23          2H4         C  23  12.624   4.886  30.403
  248    H5     C  23           H5         C  23  14.462   6.230  29.775
  249    H6     C  23           H6         C  23  16.901   6.279  29.390
  250   1H5*    A  24          1H5*        A  24  21.198   2.899  25.789
  251   2H5*    A  24          2H5*        A  24  20.973   2.573  24.071
  252    H4*    A  24           H4*        A  24  20.998   0.500  25.283
  253    H3*    A  24           H3*        A  24  18.404   1.305  24.030
  254    H2*    A  24           H2*        A  24  17.320  -0.634  24.842
  255   2HO*    A  24          2HO*        A  24  19.664  -1.579  26.095
  256    H1*    A  24           H1*        A  24  18.358  -0.399  27.436
  257    H8     A  24           H8         A  24  17.425   2.920  25.942
  258   1H6     A  24          1H6         A  24  11.725   1.980  28.303
  259   2H6     A  24          2H6         A  24  12.757   3.151  27.513
  260    H2     A  24           H2         A  24  14.077  -1.754  28.821
  261   1H5*    A  25          1H5*        A  25  19.340  -2.671  23.275
  262   2H5*    A  25          2H5*        A  25  19.162  -3.196  21.601
  263    H4*    A  25           H4*        A  25  18.017  -4.774  22.929
  264    H3*    A  25           H3*        A  25  16.219  -2.925  21.412
  265    H2*    A  25           H2*        A  25  14.286  -3.946  22.310
  266   2HO*    A  25          2HO*        A  25  16.241  -5.873  22.652
  267    H1*    A  25           H1*        A  25  15.231  -3.960  24.943
  268    H8     A  25           H8         A  25  16.225  -0.834  23.124
  269   1H6     A  25          1H6         A  25  10.777   1.573  24.988
  270   2H6     A  25          2H6         A  25  12.303   1.948  24.220
  271    H2     A  25           H2         A  25  10.802  -2.755  25.994
  272   1H5*    G  26          1H5*        G  26  14.768  -6.707  21.027
  273   2H5*    G  26          2H5*        G  26  14.585  -7.253  19.360
  274    H4*    G  26           H4*        G  26  12.553  -7.752  20.435
  275    H3*    G  26           H3*        G  26  12.352  -5.327  18.670
  276    H2*    G  26           H2*        G  26  10.073  -5.097  19.184
  277   2HO*    G  26          2HO*        G  26   9.836  -7.427  18.936
  278    H1*    G  26           H1*        G  26  10.322  -5.607  21.916
  279    H8     G  26           H8         G  26  13.209  -3.610  20.570
  280    H1     G  26           H1         G  26   8.093  -0.030  22.271
  281   1H2     G  26          1H2         G  26   6.497  -1.265  22.691
  282   2H2     G  26          2H2         G  26   6.538  -3.012  22.598
  283   1H5*    A  27          1H5*        A  27  10.603  -8.857  16.366
  284   2H5*    A  27          2H5*        A  27  10.200  -8.434  14.703
  285    H4*    A  27           H4*        A  27   8.320  -8.280  16.370
  286    H3*    A  27           H3*        A  27   9.035  -5.775  14.805
  287    H2*    A  27           H2*        A  27   6.883  -5.006  15.410
  288   2HO*    A  27          2HO*        A  27   5.386  -6.632  16.218
  289    H1*    A  27           H1*        A  27   7.044  -5.930  18.048
  290    H8     A  27           H8         A  27  10.316  -4.547  16.836
  291   1H6     A  27          1H6         A  27   8.308   1.014  18.835
  292   2H6     A  27          2H6         A  27   9.693   0.149  18.210
  293    H2     A  27           H2         A  27   4.927  -1.859  19.092
  294   1H5*    G  28          1H5*        G  28   5.820  -7.695  12.035
  295   2H5*    G  28          2H5*        G  28   5.512  -6.520  10.756
  296    H4*    G  28           H4*        G  28   3.776  -6.815  12.641
  297    H3*    G  28           H3*        G  28   4.761  -4.129  11.664
  298    H2*    G  28           H2*        G  28   3.077  -3.113  12.975
  299   2HO*    G  28          2HO*        G  28   2.187  -5.807  13.464
  300    H1*    G  28           H1*        G  28   3.538  -4.712  15.224
  301    H8     G  28           H8         G  28   6.764  -3.847  13.545
  302    H1     G  28           H1         G  28   4.600   0.769  17.533
  303   1H2     G  28          1H2         G  28   2.674   0.324  18.120
  304   2H2     G  28          2H2         G  28   1.778  -1.089  17.608
  305   1H5*    G  29          1H5*        G  29   1.091  -4.636   8.993
  306   2H5*    G  29          2H5*        G  29   1.163  -3.155   8.038
  307    H4*    G  29           H4*        G  29   0.325  -3.272  10.599
  308    H3*    G  29           H3*        G  29   1.865  -0.811   9.774
  309    H2*    G  29           H2*        G  29   0.168   0.167  11.098
  310   2HO*    G  29          2HO*        G  29  -1.236  -2.324  10.830
  311    H1*    G  29           H1*        G  29  -0.010  -1.973  12.883
  312    H8     G  29           H8         G  29   3.543  -1.408  11.857
  313    H1     G  29           H1         G  29   1.586   2.454  16.666
  314   1H2     G  29          1H2         G  29  -0.455   2.280  16.902
  315   2H2     G  29          2H2         G  29  -1.483   1.242  15.940
  316   1H5*    C  30          1H5*        C  30  -1.414   0.845  10.842
  317   2H5*    C  30          2H5*        C  30  -2.182   0.741   9.258
  318    H4*    C  30           H4*        C  30  -2.864   2.826   9.651
  319    H3*    C  30           H3*        C  30  -0.063   3.201   8.746
  320    H2*    C  30           H2*        C  30   0.044   5.447   9.451
  321   2HO*    C  30          2HO*        C  30  -2.285   6.046  10.440
  322    H1*    C  30           H1*        C  30  -1.025   5.032  11.966
  323   1H4     C  30          1H4         C  30   5.258   4.258  12.812
  324   2H4     C  30          2H4         C  30   5.104   2.587  12.319
  325    H5     C  30           H5         C  30   3.100   1.632  11.513
  326    H6     C  30           H6         C  30   0.726   2.051  10.976
  327   1H5*    G  31          1H5*        G  31  -2.226   6.399   7.291
  328   2H5*    G  31          2H5*        G  31  -1.749   6.987   5.698
  329    H4*    G  31           H4*        G  31  -1.449   8.690   7.419
  330    H3*    G  31           H3*        G  31   1.064   7.658   6.094
  331    H2*    G  31           H2*        G  31   2.263   9.393   7.160
  332   2HO*    G  31          2HO*        G  31   0.831  11.011   8.302
  333    H1*    G  31           H1*        G  31   1.020   9.033   9.645
  334    H8     G  31           H8         G  31   1.658   5.739   7.999
  335    H1     G  31           H1         G  31   6.794   8.095  11.155
  336   1H2     G  31          1H2         G  31   6.423  10.044  11.717
  337   2H2     G  31          2H2         G  31   4.941  10.911  11.382
  338   1H5*    A  32          1H5*        A  32   0.496  11.828   5.692
  339   2H5*    A  32          2H5*        A  32   1.249  12.572   4.282
  340    H4*    A  32           H4*        A  32   2.035  13.569   6.368
  341    H3*    A  32           H3*        A  32   4.018  12.138   4.626
  342    H2*    A  32           H2*        A  32   5.776  12.727   6.092
  343   2HO*    A  32          2HO*        A  32   4.793  14.853   6.355
  344    H1*    A  32           H1*        A  32   4.369  12.035   8.417
  345    H8     A  32           H8         A  32   3.676   9.588   5.681
  346   1H6     A  32          1H6         A  32   8.789   6.533   7.545
  347   2H6     A  32          2H6         A  32   7.388   6.447   6.501
  348    H2     A  32           H2         A  32   8.636  10.425   9.685
  349   1H5*    G  33          1H5*        G  33   5.822  15.623   5.722
  350   2H5*    G  33          2H5*        G  33   6.200  16.600   4.303
  351    H4*    G  33           H4*        G  33   8.186  16.608   5.489
  352    H3*    G  33           H3*        G  33   8.317  14.458   3.383
  353    H2*    G  33           H2*        G  33  10.561  14.020   3.990
  354   2HO*    G  33          2HO*        G  33  10.943  15.805   5.975
  355    H1*    G  33           H1*        G  33  10.035  14.042   6.749
  356    H8     G  33           H8         G  33   7.267  12.351   4.903
  357    H1     G  33           H1         G  33  12.332   8.490   6.057
  358   1H2     G  33          1H2         G  33  13.911   9.617   6.757
  359   2H2     G  33          2H2         G  33  13.869  11.349   6.996
  360   1H5*    U  34          1H5*        U  34  11.736  16.029   3.096
  361   2H5*    U  34          2H5*        U  34  12.079  16.796   1.546
  362    H4*    U  34           H4*        U  34  13.903  15.385   1.953
  363    H3*    U  34           H3*        U  34  11.999  13.977   0.061
  364    H2*    U  34           H2*        U  34  13.721  12.418  -0.325
  365   2HO*    U  34          2HO*        U  34  15.437  13.806  -0.569
  366    H1*    U  34           H1*        U  34  14.511  12.174   2.320
  367    H3     U  34           H3         U  34  12.252   8.320   1.490
  368    H5     U  34           H5         U  34   9.239  11.158   2.129
  369    H6     U  34           H6         U  34  10.994  12.870   2.156
  370   1H5*    C  35          1H5*        C  35  15.195  13.935  -1.912
  371   2H5*    C  35          2H5*        C  35  15.110  14.399  -3.611
  372    H4*    C  35           H4*        C  35  15.899  12.188  -3.591
  373    H3*    C  35           H3*        C  35  12.913  12.042  -4.150
  374    H2*    C  35           H2*        C  35  13.395   9.897  -5.011
  375   2HO*    C  35          2HO*        C  35  16.109   9.895  -4.804
  376    H1*    C  35           H1*        C  35  15.219   9.242  -2.982
  377   1H4     C  35          1H4         C  35   9.695   6.689  -1.046
  378   2H4     C  35          2H4         C  35   9.209   8.248  -0.418
  379    H5     C  35           H5         C  35  10.456  10.231  -0.708
  380    H6     C  35           H6         C  35  12.501  11.218  -1.682
  381   1H5*    C  36          1H5*        C  36  14.656  10.805  -7.302
  382   2H5*    C  36          2H5*        C  36  14.004  11.204  -8.892
  383    H4*    C  36           H4*        C  36  13.959   8.859  -8.747
  384    H3*    C  36           H3*        C  36  11.180   9.927  -8.166
  385    H2*    C  36           H2*        C  36  10.417   7.712  -8.471
  386   2HO*    C  36          2HO*        C  36  12.028   6.208  -9.429
  387    H1*    C  36           H1*        C  36  12.589   6.578  -7.055
  388   1H4     C  36          1H4         C  36   7.832   6.684  -2.803
  389   2H4     C  36          2H4         C  36   8.101   8.394  -2.549
  390    H5     C  36           H5         C  36   9.645   9.681  -3.789
  391    H6     C  36           H6         C  36  11.329   9.642  -5.595
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   4.533  -2.014  -1.940
    2   2H5*    G   1          2H5*        G   1   5.613  -2.747  -0.754
    3    H4*    G   1           H4*        G   1   6.673  -2.623  -2.932
    4    H3*    G   1           H3*        G   1   7.871  -0.851  -0.796
    5    H2*    G   1           H2*        G   1   9.550  -0.248  -2.275
    6   2HO*    G   1          2HO*        G   1   9.140  -2.854  -2.799
    7    H1*    G   1           H1*        G   1   8.052  -0.395  -4.659
    8    H8     G   1           H8         G   1   6.009   1.317  -2.088
    9    H1     G   1           H1         G   1  10.412   5.204  -4.805
   10   1H2     G   1          1H2         G   1  11.733   4.077  -5.918
   11   2H2     G   1          2H2         G   1  11.658   2.338  -6.090
   12   1H5*    G   2          1H5*        G   2  11.206  -3.258  -1.645
   13   2H5*    G   2          2H5*        G   2  11.963  -3.707  -0.117
   14    H4*    G   2           H4*        G   2  13.603  -2.529  -1.311
   15    H3*    G   2           H3*        G   2  12.326  -0.741   0.763
   16    H2*    G   2           H2*        G   2  13.976   0.883   0.287
   17   2HO*    G   2          2HO*        G   2  15.098  -1.289  -1.236
   18    H1*    G   2           H1*        G   2  13.777   0.576  -2.497
   19    H8     G   2           H8         G   2  10.537   0.471  -0.534
   20    H1     G   2           H1         G   2  12.270   6.366  -2.565
   21   1H2     G   2          1H2         G   2  14.159   6.283  -3.388
   22   2H2     G   2          2H2         G   2  15.129   4.832  -3.509
   23   1H5*    A   3          1H5*        A   3  16.197  -0.698   1.543
   24   2H5*    A   3          2H5*        A   3  16.702  -0.729   3.233
   25    H4*    A   3           H4*        A   3  17.524   1.283   2.298
   26    H3*    A   3           H3*        A   3  15.074   1.824   4.000
   27    H2*    A   3           H2*        A   3  15.645   4.115   3.884
   28   2HO*    A   3          2HO*        A   3  18.041   2.862   3.569
   29    H1*    A   3           H1*        A   3  16.268   4.037   1.144
   30    H8     A   3           H8         A   3  13.248   2.031   2.235
   31   1H6     A   3          1H6         A   3   9.895   7.123   0.900
   32   2H6     A   3          2H6         A   3   9.792   5.439   1.364
   33    H2     A   3           H2         A   3  14.201   8.157   0.533
   34   1H5*    C   4          1H5*        C   4  18.177   3.683   5.666
   35   2H5*    C   4          2H5*        C   4  18.306   3.763   7.423
   36    H4*    C   4           H4*        C   4  18.227   5.990   6.562
   37    H3*    C   4           H3*        C   4  15.630   5.193   7.903
   38    H2*    C   4           H2*        C   4  15.033   7.480   7.849
   39   2HO*    C   4          2HO*        C   4  17.802   7.734   7.105
   40    H1*    C   4           H1*        C   4  15.908   7.888   5.225
   41   1H4     C   4          1H4         C   4   9.698   6.570   4.583
   42   2H4     C   4          2H4         C   4  10.050   4.863   4.735
   43    H5     C   4           H5         C   4  12.193   3.999   5.221
   44    H6     C   4           H6         C   4  14.551   4.568   5.685
   45   1H5*    U   5          1H5*        U   5  17.271   8.261   9.900
   46   2H5*    U   5          2H5*        U   5  17.261   8.229  11.663
   47    H4*    U   5           H4*        U   5  16.257  10.266  10.986
   48    H3*    U   5           H3*        U   5  14.237   8.254  11.977
   49    H2*    U   5           H2*        U   5  12.574   9.929  11.860
   50   2HO*    U   5          2HO*        U   5  14.355  11.405  12.668
   51    H1*    U   5           H1*        U   5  13.360  10.868   9.346
   52    H3     U   5           H3         U   5   9.438   8.762   8.478
   53    H5     U   5           H5         U   5  12.176   5.633   8.977
   54    H6     U   5           H6         U   5  13.818   7.313   9.681
   55   1H5*    C   6          1H5*        C   6  13.976  11.578  14.311
   56   2H5*    C   6          2H5*        C   6  13.506  11.380  16.000
   57    H4*    C   6           H4*        C   6  11.873  12.705  14.783
   58    H3*    C   6           H3*        C   6  10.897   9.984  15.686
   59    H2*    C   6           H2*        C   6   8.715  10.692  15.140
   60   2HO*    C   6          2HO*        C   6   9.430  13.287  14.423
   61    H1*    C   6           H1*        C   6   9.434  11.918  12.733
   62   1H4     C   6          1H4         C   6   7.621   6.040  11.023
   63   2H4     C   6          2H4         C   6   9.208   5.438  11.448
   64    H5     C   6           H5         C   6  10.885   6.754  12.462
   65    H6     C   6           H6         C   6  11.460   8.995  13.326
   66   1H5*    G   7          1H5*        G   7   8.541  12.611  17.428
   67   2H5*    G   7          2H5*        G   7   8.441  12.551  19.189
   68    H4*    G   7           H4*        G   7   6.222  12.566  18.527
   69    H3*    G   7           H3*        G   7   7.112   9.769  19.127
   70    H2*    G   7           H2*        G   7   4.983   8.912  18.579
   71   2HO*    G   7          2HO*        G   7   4.300  11.707  18.447
   72    H1*    G   7           H1*        G   7   4.734  10.521  16.256
   73    H8     G   7           H8         G   7   8.102   8.909  16.720
   74    H1     G   7           H1         G   7   3.807   5.206  13.601
   75   1H2     G   7          1H2         G   7   1.946   6.089  13.689
   76   2H2     G   7          2H2         G   7   1.599   7.605  14.489
   77   1H5*    G   8          1H5*        G   8   4.216  11.036  21.550
   78   2H5*    G   8          2H5*        G   8   3.800  10.754  23.240
   79    H4*    G   8           H4*        G   8   2.643   9.133  21.964
   80    H3*    G   8           H3*        G   8   5.092   7.738  23.109
   81    H2*    G   8           H2*        G   8   3.780   5.789  22.844
   82   2HO*    G   8          2HO*        G   8   1.542   7.413  22.156
   83    H1*    G   8           H1*        G   8   2.723   6.551  20.372
   84    H8     G   8           H8         G   8   6.288   7.618  20.571
   85    H1     G   8           H1         G   8   5.557   1.394  18.956
   86   1H2     G   8          1H2         G   8   3.590   0.838  19.227
   87   2H2     G   8          2H2         G   8   2.326   1.900  19.807
   88   1H5*    C   9          1H5*        C   9   2.136   6.729  24.986
   89   2H5*    C   9          2H5*        C   9   1.860   6.366  26.689
   90    H4*    C   9           H4*        C   9   1.481   4.359  25.517
   91    H3*    C   9           H3*        C   9   4.249   4.268  26.757
   92    H2*    C   9           H2*        C   9   4.194   1.942  26.339
   93   2HO*    C   9          2HO*        C   9   2.016   1.765  27.082
   94    H1*    C   9           H1*        C   9   3.101   2.198  23.774
   95   1H4     C   9          1H4         C   9   9.418   1.820  22.859
   96   2H4     C   9          2H4         C   9   9.530   3.550  23.087
   97    H5     C   9           H5         C   9   7.712   4.913  23.735
   98    H6     C   9           H6         C   9   5.317   4.949  24.330
   99   1H5*    U  10          1H5*        U  10   1.952   1.421  28.394
  100   2H5*    U  10          2H5*        U  10   1.960   1.272  30.151
  101    H4*    U  10           H4*        U  10   2.354  -0.889  29.279
  102    H3*    U  10           H3*        U  10   4.788   0.405  30.456
  103    H2*    U  10           H2*        U  10   6.102  -1.493  29.967
  104   2HO*    U  10          2HO*        U  10   4.694  -3.117  30.493
  105    H1*    U  10           H1*        U  10   5.124  -1.802  27.363
  106    H3     U  10           H3         U  10   9.466  -0.387  27.013
  107    H5     U  10           H5         U  10   7.221   3.108  27.554
  108    H6     U  10           H6         U  10   5.288   1.674  28.028
  109   1H5*    U  11          1H5*        U  11   4.474  -3.314  31.921
  110   2H5*    U  11          2H5*        U  11   4.588  -3.538  33.666
  111    H4*    U  11           H4*        U  11   6.169  -4.999  32.723
  112    H3*    U  11           H3*        U  11   7.447  -2.539  33.886
  113    H2*    U  11           H2*        U  11   9.590  -3.391  33.370
  114   2HO*    U  11          2HO*        U  11   9.493  -5.532  33.771
  115    H1*    U  11           H1*        U  11   8.903  -4.187  30.776
  116    H3     U  11           H3         U  11  11.632  -0.633  30.080
  117    H5     U  11           H5         U  11   8.015   1.093  31.294
  118    H6     U  11           H6         U  11   7.210  -1.172  31.775
  119   1H5*    G  12          1H5*        G  12   9.420  -5.975  35.278
  120   2H5*    G  12          2H5*        G  12   9.512  -5.992  37.039
  121    H4*    G  12           H4*        G  12  11.675  -6.501  36.334
  122    H3*    G  12           H3*        G  12  11.426  -3.642  37.186
  123    H2*    G  12           H2*        G  12  13.663  -3.192  36.634
  124   2HO*    G  12          2HO*        G  12  13.681  -6.054  36.634
  125    H1*    G  12           H1*        G  12  13.670  -4.588  34.215
  126    H8     G  12           H8         G  12  10.520  -2.653  35.096
  127    H1     G  12           H1         G  12  14.842   0.645  31.586
  128   1H2     G  12          1H2         G  12  16.569  -0.466  31.397
  129   2H2     G  12          2H2         G  12  16.810  -2.056  32.087
  130   1H5*    C  13          1H5*        C  13  14.692  -5.267  38.899
  131   2H5*    C  13          2H5*        C  13  14.966  -5.013  40.622
  132    H4*    C  13           H4*        C  13  16.926  -4.283  39.566
  133    H3*    C  13           H3*        C  13  15.178  -1.969  40.366
  134    H2*    C  13           H2*        C  13  16.833  -0.456  39.620
  135   2HO*    C  13          2HO*        C  13  18.678  -1.447  40.321
  136    H1*    C  13           H1*        C  13  17.308  -1.794  37.211
  137   1H4     C  13          1H4         C  13  12.976   2.559  35.528
  138   2H4     C  13          2H4         C  13  11.736   1.687  36.401
  139    H5     C  13           H5         C  13  12.150  -0.244  37.695
  140    H6     C  13           H6         C  13  13.872  -1.832  38.478
  141   1H5*    U  14          1H5*        U  14  18.776  -1.271  41.884
  142   2H5*    U  14          2H5*        U  14  18.910  -0.685  43.542
  143    H4*    U  14           H4*        U  14  19.958   0.897  42.091
  144    H3*    U  14           H3*        U  14  17.355   1.814  43.286
  145    H2*    U  14           H2*        U  14  17.632   3.937  42.285
  146   2HO*    U  14          2HO*        U  14  20.037   3.457  41.034
  147    H1*    U  14           H1*        U  14  18.377   2.917  39.787
  148    H3     U  14           H3         U  14  14.246   4.552  38.939
  149    H5     U  14           H5         U  14  13.501   1.083  41.166
  150    H6     U  14           H6         U  14  15.921   0.907  41.515
  151   1H5*    G  15          1H5*        G  15  20.300   4.679  44.091
  152   2H5*    G  15          2H5*        G  15  20.351   5.163  45.785
  153    H4*    G  15           H4*        G  15  20.245   7.178  44.638
  154    H3*    G  15           H3*        G  15  17.513   6.404  45.622
  155    H2*    G  15           H2*        G  15  16.614   8.411  44.756
  156   2HO*    G  15          2HO*        G  15  19.412   8.976  44.402
  157    H1*    G  15           H1*        G  15  17.918   8.212  42.291
  158    H8     G  15           H8         G  15  16.743   4.887  43.611
  159    H1     G  15           H1         G  15  12.271   8.119  40.228
  160   1H2     G  15          1H2         G  15  12.951  10.026  39.835
  161   2H2     G  15          2H2         G  15  14.501  10.655  40.344
  162   1H5*    G  16          1H5*        G  16  17.904   9.887  47.681
  163   2H5*    G  16          2H5*        G  16  17.051   9.902  49.225
  164    H4*    G  16           H4*        G  16  15.876  11.228  47.568
  165    H3*    G  16           H3*        G  16  14.466   8.709  48.463
  166    H2*    G  16           H2*        G  16  12.538   9.464  47.321
  167   2HO*    G  16          2HO*        G  16  13.046  11.799  46.357
  168    H1*    G  16           H1*        G  16  13.952  10.276  45.034
  169    H8     G  16           H8         G  16  15.285   7.061  46.416
  170    H1     G  16           H1         G  16  10.164   6.302  42.532
  171   1H2     G  16          1H2         G  16   9.336   8.144  42.115
  172   2H2     G  16          2H2         G  16   9.940   9.667  42.727
  173   1H5*    A  17          1H5*        A  17  11.979   7.878  49.552
  174   2H5*    A  17          2H5*        A  17  11.205   8.571  48.126
  175    H4*    A  17           H4*        A  17   9.858   7.424  50.145
  176    H3*    A  17           H3*        A  17   9.015   9.618  48.263
  177    H2*    A  17           H2*        A  17   6.900   9.695  49.315
  178   2HO*    A  17          2HO*        A  17   6.588   7.491  49.557
  179    H1*    A  17           H1*        A  17   7.940   9.629  51.916
  180    H8     A  17           H8         A  17  10.284  11.825  50.246
  181   1H6     A  17          1H6         A  17   6.055  16.405  50.534
  182   2H6     A  17          2H6         A  17   7.737  16.048  50.213
  183    H2     A  17           H2         A  17   4.027  12.577  51.518
  184   1H5*    G  18          1H5*        G  18   4.508   8.795  47.762
  185   2H5*    G  18          2H5*        G  18   4.978   8.236  46.157
  186    H4*    G  18           H4*        G  18   3.729  10.350  46.099
  187    H3*    G  18           H3*        G  18   6.472  10.146  44.975
  188    H2*    G  18           H2*        G  18   6.622  12.456  44.513
  189   2HO*    G  18          2HO*        G  18   4.583  12.896  43.793
  190    H1*    G  18           H1*        G  18   5.684  13.284  47.002
  191    H8     G  18           H8         G  18   7.999  10.272  46.449
  192    H1     G  18           H1         G  18  10.865  15.633  48.671
  193   1H2     G  18          1H2         G  18   9.476  17.150  48.810
  194   2H2     G  18          2H2         G  18   7.786  16.993  48.387
  195   1H5*    A  19          1H5*        A  19   3.790  11.825  42.493
  196   2H5*    A  19          2H5*        A  19   3.447  11.339  40.833
  197    H4*    A  19           H4*        A  19   3.839  13.551  40.499
  198    H3*    A  19           H3*        A  19   6.314  12.048  40.020
  199    H2*    A  19           H2*        A  19   7.777  13.900  40.117
  200   2HO*    A  19          2HO*        A  19   5.979  15.130  39.053
  201    H1*    A  19           H1*        A  19   6.683  14.927  42.487
  202    H8     A  19           H8         A  19   7.500  11.292  41.531
  203   1H6     A  19          1H6         A  19  12.055  11.750  45.774
  204   2H6     A  19          2H6         A  19  11.299  10.678  44.615
  205    H2     A  19           H2         A  19   9.895  15.630  45.628
  206   1H5*    C  20          1H5*        C  20   6.243  11.962  34.715
  207   2H5*    C  20          2H5*        C  20   6.163  10.714  35.959
  208    H4*    C  20           H4*        C  20   7.522  13.402  36.265
  209    H3*    C  20           H3*        C  20   8.627  10.687  35.544
  210    H2*    C  20           H2*        C  20  10.633  11.249  36.661
  211   2HO*    C  20          2HO*        C  20  11.130  13.371  36.605
  212    H1*    C  20           H1*        C  20   9.360  12.327  38.905
  213   1H4     C  20          1H4         C  20  10.638   6.211  40.329
  214   2H4     C  20          2H4         C  20   9.027   5.799  39.785
  215    H5     C  20           H5         C  20   7.560   7.329  38.742
  216    H6     C  20           H6         C  20   7.275   9.653  37.959
  217   1H5*    G  21          1H5*        G  21  11.464  13.659  34.474
  218   2H5*    G  21          2H5*        G  21  12.010  13.439  32.812
  219    H4*    G  21           H4*        G  21  13.935  13.732  34.172
  220    H3*    G  21           H3*        G  21  13.528  10.946  33.153
  221    H2*    G  21           H2*        G  21  15.478  10.189  34.240
  222   2HO*    G  21          2HO*        G  21  16.559  12.260  35.389
  223    H1*    G  21           H1*        G  21  14.924  11.561  36.646
  224    H8     G  21           H8         G  21  11.843   9.979  35.263
  225    H1     G  21           H1         G  21  15.529   5.893  38.669
  226   1H2     G  21          1H2         G  21  17.347   6.778  39.071
  227   2H2     G  21          2H2         G  21  17.805   8.387  38.562
  228   1H5*    G  22          1H5*        G  22  17.539  11.677  31.935
  229   2H5*    G  22          2H5*        G  22  17.717  11.160  30.258
  230    H4*    G  22           H4*        G  22  19.289  10.014  31.728
  231    H3*    G  22           H3*        G  22  17.181   8.326  30.386
  232    H2*    G  22           H2*        G  22  18.252   6.386  31.210
  233   2HO*    G  22          2HO*        G  22  20.415   6.635  31.999
  234    H1*    G  22           H1*        G  22  18.631   7.435  33.790
  235    H8     G  22           H8         G  22  15.283   8.386  32.426
  236    H1     G  22           H1         G  22  15.415   2.487  35.086
  237   1H2     G  22          1H2         G  22  17.368   1.955  35.483
  238   2H2     G  22          2H2         G  22  18.761   2.956  35.145
  239   1H5*    C  23          1H5*        C  23  20.843   6.626  29.465
  240   2H5*    C  23          2H5*        C  23  21.030   6.386  27.729
  241    H4*    C  23           H4*        C  23  21.559   4.323  28.712
  242    H3*    C  23           H3*        C  23  18.805   4.325  27.511
  243    H2*    C  23           H2*        C  23  18.535   2.046  28.078
  244   2HO*    C  23          2HO*        C  23  20.476   0.912  28.783
  245    H1*    C  23           H1*        C  23  19.539   2.355  30.683
  246   1H4     C  23          1H4         C  23  13.219   2.748  31.441
  247   2H4     C  23          2H4         C  23  13.249   4.391  30.842
  248    H5     C  23           H5         C  23  15.185   5.451  30.004
  249    H6     C  23           H6         C  23  17.594   5.192  29.529
  250   1H5*    A  24          1H5*        A  24  21.183   1.098  26.306
  251   2H5*    A  24          2H5*        A  24  21.106   0.683  24.594
  252    H4*    A  24           H4*        A  24  20.755  -1.329  25.746
  253    H3*    A  24           H3*        A  24  18.252  -0.179  24.591
  254    H2*    A  24           H2*        A  24  16.927  -1.916  25.494
  255   2HO*    A  24          2HO*        A  24  18.154  -3.713  25.291
  256    H1*    A  24           H1*        A  24  18.104  -1.784  28.039
  257    H8     A  24           H8         A  24  17.572   1.594  26.473
  258   1H6     A  24          1H6         A  24  11.931   1.542  29.143
  259   2H6     A  24          2H6         A  24  13.072   2.530  28.259
  260    H2     A  24           H2         A  24  13.764  -2.469  29.687
  261   1H5*    A  25          1H5*        A  25  18.726  -4.309  23.728
  262   2H5*    A  25          2H5*        A  25  18.154  -4.844  22.148
  263    H4*    A  25           H4*        A  25  17.114  -6.163  23.866
  264    H3*    A  25           H3*        A  25  15.335  -4.313  22.326
  265    H2*    A  25           H2*        A  25  13.439  -4.997  23.559
  266   2HO*    A  25          2HO*        A  25  14.944  -6.816  25.106
  267    H1*    A  25           H1*        A  25  14.704  -4.818  26.050
  268    H8     A  25           H8         A  25  15.804  -2.020  23.835
  269   1H6     A  25          1H6         A  25  10.787   1.113  25.826
  270   2H6     A  25          2H6         A  25  12.276   1.251  24.916
  271    H2     A  25           H2         A  25  10.470  -3.077  27.265
  272   1H5*    G  26          1H5*        G  26  13.256  -7.732  22.675
  273   2H5*    G  26          2H5*        G  26  12.974  -8.493  21.109
  274    H4*    G  26           H4*        G  26  10.902  -8.547  22.184
  275    H3*    G  26           H3*        G  26  11.031  -6.316  20.174
  276    H2*    G  26           H2*        G  26   8.816  -5.704  20.656
  277   2HO*    G  26          2HO*        G  26   8.178  -7.943  20.650
  278    H1*    G  26           H1*        G  26   9.018  -5.935  23.422
  279    H8     G  26           H8         G  26  12.178  -4.599  21.881
  280    H1     G  26           H1         G  26   7.735  -0.064  23.140
  281   1H2     G  26          1H2         G  26   5.964  -0.968  23.688
  282   2H2     G  26          2H2         G  26   5.720  -2.697  23.791
  283   1H5*    A  27          1H5*        A  27   8.439  -9.454  18.711
  284   2H5*    A  27          2H5*        A  27   7.760  -9.275  17.093
  285    H4*    A  27           H4*        A  27   6.490  -8.268  19.090
  286    H3*    A  27           H3*        A  27   7.069  -6.532  16.660
  287    H2*    A  27           H2*        A  27   5.265  -5.228  17.442
  288   2HO*    A  27          2HO*        A  27   3.715  -6.258  18.730
  289    H1*    A  27           H1*        A  27   5.967  -5.455  20.150
  290    H8     A  27           H8         A  27   9.018  -5.037  18.039
  291   1H6     A  27          1H6         A  27   8.107   1.121  18.488
  292   2H6     A  27          2H6         A  27   9.230  -0.111  17.957
  293    H2     A  27           H2         A  27   4.538  -0.938  20.151
  294   1H5*    G  28          1H5*        G  28   3.225  -8.071  16.257
  295   2H5*    G  28          2H5*        G  28   2.379  -7.990  14.711
  296    H4*    G  28           H4*        G  28   1.326  -6.454  16.178
  297    H3*    G  28           H3*        G  28   2.919  -5.253  13.973
  298    H2*    G  28           H2*        G  28   2.602  -3.046  14.756
  299   2HO*    G  28          2HO*        G  28   1.127  -3.105  16.842
  300    H1*    G  28           H1*        G  28   3.195  -3.697  17.433
  301    H8     G  28           H8         G  28   5.544  -5.456  15.148
  302    H1     G  28           H1         G  28   7.212   0.692  16.285
  303   1H2     G  28          1H2         G  28   5.665   1.659  17.248
  304   2H2     G  28          2H2         G  28   4.143   0.914  17.684
  305   1H5*    G  29          1H5*        G  29  -1.443  -4.513  13.425
  306   2H5*    G  29          2H5*        G  29  -1.835  -3.737  11.891
  307    H4*    G  29           H4*        G  29  -0.847  -2.330  13.832
  308    H3*    G  29           H3*        G  29   0.571  -1.985  11.174
  309    H2*    G  29           H2*        G  29   0.727   0.223  11.972
  310   2HO*    G  29          2HO*        G  29  -1.727  -0.513  12.741
  311    H1*    G  29           H1*        G  29   0.939  -0.504  14.680
  312    H8     G  29           H8         G  29   2.825  -2.566  12.101
  313    H1     G  29           H1         G  29   6.217   2.289  14.710
  314   1H2     G  29          1H2         G  29   4.983   3.427  15.905
  315   2H2     G  29          2H2         G  29   3.281   3.114  16.164
  316   1H5*    C  30          1H5*        C  30   0.446   0.423   8.745
  317   2H5*    C  30          2H5*        C  30  -0.028  -0.029  10.383
  318    H4*    C  30           H4*        C  30  -2.185   1.404   9.139
  319    H3*    C  30           H3*        C  30   0.454   2.492   8.462
  320    H2*    C  30           H2*        C  30   0.158   4.597   9.479
  321   2HO*    C  30          2HO*        C  30  -2.487   3.604   9.354
  322    H1*    C  30           H1*        C  30  -0.795   3.671  11.887
  323   1H4     C  30          1H4         C  30   5.540   3.727  12.694
  324   2H4     C  30          2H4         C  30   5.634   2.141  11.962
  325    H5     C  30           H5         C  30   3.789   1.022  11.002
  326    H6     C  30           H6         C  30   1.374   1.152  10.503
  327   1H5*    G  31          1H5*        G  31  -2.188   5.421   7.665
  328   2H5*    G  31          2H5*        G  31  -2.226   6.001   6.000
  329    H4*    G  31           H4*        G  31  -2.033   7.925   7.321
  330    H3*    G  31           H3*        G  31   0.565   7.149   6.047
  331    H2*    G  31           H2*        G  31   1.672   8.983   7.042
  332   2HO*    G  31          2HO*        G  31   0.408  10.726   7.413
  333    H1*    G  31           H1*        G  31   0.567   8.580   9.581
  334    H8     G  31           H8         G  31   1.333   5.285   8.014
  335    H1     G  31           H1         G  31   6.486   8.092  10.744
  336   1H2     G  31          1H2         G  31   6.024  10.036  11.252
  337   2H2     G  31          2H2         G  31   4.470  10.794  10.978
  338   1H5*    A  32          1H5*        A  32  -0.254  11.181   5.686
  339   2H5*    A  32          2H5*        A  32  -0.181  11.818   4.043
  340    H4*    A  32           H4*        A  32   1.020  13.360   5.305
  341    H3*    A  32           H3*        A  32   2.808  11.506   3.801
  342    H2*    A  32           H2*        A  32   4.761  12.437   4.756
  343   2HO*    A  32          2HO*        A  32   3.191  14.283   6.241
  344    H1*    A  32           H1*        A  32   3.755  12.411   7.375
  345    H8     A  32           H8         A  32   2.730   9.329   5.526
  346   1H6     A  32          1H6         A  32   8.160   6.830   7.319
  347   2H6     A  32          2H6         A  32   6.621   6.483   6.564
  348    H2     A  32           H2         A  32   8.210  11.150   8.352
  349   1H5*    G  33          1H5*        G  33   4.244  15.395   3.707
  350   2H5*    G  33          2H5*        G  33   4.364  16.038   2.070
  351    H4*    G  33           H4*        G  33   6.357  16.700   3.037
  352    H3*    G  33           H3*        G  33   6.736  14.250   1.381
  353    H2*    G  33           H2*        G  33   9.010  14.048   2.002
  354   2HO*    G  33          2HO*        G  33   9.791  15.917   3.400
  355    H1*    G  33           H1*        G  33   8.509  14.440   4.740
  356    H8     G  33           H8         G  33   5.889  12.319   3.091
  357    H1     G  33           H1         G  33  11.101   9.007   5.025
  358   1H2     G  33          1H2         G  33  12.577  10.324   5.611
  359   2H2     G  33          2H2         G  33  12.423  12.066   5.583
  360   1H5*    U  34          1H5*        U  34   9.825  16.616   0.559
  361   2H5*    U  34          2H5*        U  34  10.041  17.114  -1.119
  362    H4*    U  34           H4*        U  34  12.126  16.292  -0.477
  363    H3*    U  34           H3*        U  34  10.622  14.191  -2.032
  364    H2*    U  34           H2*        U  34  12.537  12.813  -1.973
  365   2HO*    U  34          2HO*        U  34  13.796  15.138  -0.827
  366    H1*    U  34           H1*        U  34  13.087  13.265   0.730
  367    H3     U  34           H3         U  34  11.598   8.992   0.761
  368    H5     U  34           H5         U  34   8.119  11.251   0.187
  369    H6     U  34           H6         U  34   9.556  13.226  -0.029
  370   1H5*    C  35          1H5*        C  35  14.270  14.725  -3.722
  371   2H5*    C  35          2H5*        C  35  14.282  14.966  -5.469
  372    H4*    C  35           H4*        C  35  15.810  13.246  -5.123
  373    H3*    C  35           H3*        C  35  13.153  12.096  -5.962
  374    H2*    C  35           H2*        C  35  14.124   9.945  -6.022
  375   2HO*    C  35          2HO*        C  35  16.080  11.187  -6.903
  376    H1*    C  35           H1*        C  35  15.480  10.217  -3.595
  377   1H4     C  35          1H4         C  35  10.027   7.395  -1.887
  378   2H4     C  35          2H4         C  35   9.174   8.910  -2.079
  379    H5     C  35           H5         C  35  10.172  10.889  -2.894
  380    H6     C  35           H6         C  35  12.256  11.912  -3.735
  381   1H5*    C  36          1H5*        C  36  15.917  10.637  -8.929
  382   2H5*    C  36          2H5*        C  36  15.205  10.884 -10.522
  383    H4*    C  36           H4*        C  36  15.768   8.605 -10.410
  384    H3*    C  36           H3*        C  36  12.827   9.096 -10.082
  385    H2*    C  36           H2*        C  36  12.415   6.774  -9.907
  386   2HO*    C  36          2HO*        C  36  14.673   5.551 -10.174
  387    H1*    C  36           H1*        C  36  14.521   6.317  -8.110
  388   1H4     C  36          1H4         C  36   9.515   7.009  -4.236
  389   2H4     C  36          2H4         C  36   9.449   8.719  -4.598
  390    H5     C  36           H5         C  36  10.856   9.787  -6.167
  391    H6     C  36           H6         C  36  12.688   9.471  -7.792
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.425  -2.546  -2.448
    2   2H5*    G   1          2H5*        G   1   5.527  -3.136  -1.204
    3    H4*    G   1           H4*        G   1   6.584  -3.116  -3.397
    4    H3*    G   1           H3*        G   1   7.708  -1.224  -1.333
    5    H2*    G   1           H2*        G   1   9.407  -0.628  -2.817
    6   2HO*    G   1          2HO*        G   1   9.758  -2.153  -4.642
    7    H1*    G   1           H1*        G   1   7.843  -0.687  -5.154
    8    H8     G   1           H8         G   1   5.840   0.919  -2.492
    9    H1     G   1           H1         G   1  10.208   4.919  -5.102
   10   1H2     G   1          1H2         G   1  11.517   3.839  -6.273
   11   2H2     G   1          2H2         G   1  11.442   2.108  -6.514
   12   1H5*    G   2          1H5*        G   2  11.195  -3.528  -2.142
   13   2H5*    G   2          2H5*        G   2  11.897  -3.949  -0.580
   14    H4*    G   2           H4*        G   2  13.564  -2.778  -1.765
   15    H3*    G   2           H3*        G   2  12.259  -1.040   0.329
   16    H2*    G   2           H2*        G   2  13.865   0.635  -0.118
   17   2HO*    G   2          2HO*        G   2  15.693  -0.601  -0.314
   18    H1*    G   2           H1*        G   2  13.682   0.346  -2.915
   19    H8     G   2           H8         G   2  10.421   0.210  -1.002
   20    H1     G   2           H1         G   2  12.196   6.150  -2.858
   21   1H2     G   2          1H2         G   2  14.101   6.086  -3.643
   22   2H2     G   2          2H2         G   2  15.074   4.639  -3.778
   23   1H5*    A   3          1H5*        A   3  16.202  -1.048   1.442
   24   2H5*    A   3          2H5*        A   3  16.462  -0.942   3.183
   25    H4*    A   3           H4*        A   3  17.316   1.033   2.085
   26    H3*    A   3           H3*        A   3  14.821   1.572   3.727
   27    H2*    A   3           H2*        A   3  15.394   3.860   3.575
   28   2HO*    A   3          2HO*        A   3  17.693   3.008   3.880
   29    H1*    A   3           H1*        A   3  16.105   3.716   0.857
   30    H8     A   3           H8         A   3  13.045   1.720   1.801
   31   1H6     A   3          1H6         A   3   9.753   6.844   0.435
   32   2H6     A   3          2H6         A   3   9.630   5.150   0.854
   33    H2     A   3           H2         A   3  14.070   7.884   0.288
   34   1H5*    C   4          1H5*        C   4  17.995   3.489   5.328
   35   2H5*    C   4          2H5*        C   4  18.178   3.477   7.082
   36    H4*    C   4           H4*        C   4  18.273   5.736   6.414
   37    H3*    C   4           H3*        C   4  15.610   5.031   7.640
   38    H2*    C   4           H2*        C   4  14.991   7.311   7.540
   39   2HO*    C   4          2HO*        C   4  17.312   7.737   8.151
   40    H1*    C   4           H1*        C   4  15.930   7.685   4.927
   41   1H4     C   4          1H4         C   4   9.725   6.402   4.168
   42   2H4     C   4          2H4         C   4  10.059   4.696   4.357
   43    H5     C   4           H5         C   4  12.185   3.824   4.904
   44    H6     C   4           H6         C   4  14.537   4.382   5.411
   45   1H5*    U   5          1H5*        U   5  17.261   8.201   9.541
   46   2H5*    U   5          2H5*        U   5  17.330   8.150  11.302
   47    H4*    U   5           H4*        U   5  16.386  10.231  10.749
   48    H3*    U   5           H3*        U   5  14.326   8.261  11.705
   49    H2*    U   5           H2*        U   5  12.649   9.919  11.555
   50   2HO*    U   5          2HO*        U   5  13.892  11.605  12.397
   51    H1*    U   5           H1*        U   5  13.460  10.835   9.035
   52    H3     U   5           H3         U   5   9.514   8.738   8.217
   53    H5     U   5           H5         U   5  12.263   5.610   8.661
   54    H6     U   5           H6         U   5  13.909   7.288   9.359
   55   1H5*    C   6          1H5*        C   6  14.074  11.635  13.966
   56   2H5*    C   6          2H5*        C   6  13.754  11.479  15.693
   57    H4*    C   6           H4*        C   6  12.024  12.802  14.698
   58    H3*    C   6           H3*        C   6  11.118  10.037  15.513
   59    H2*    C   6           H2*        C   6   8.894  10.706  15.073
   60   2HO*    C   6          2HO*        C   6   8.454  12.885  15.191
   61    H1*    C   6           H1*        C   6   9.507  11.976  12.656
   62   1H4     C   6          1H4         C   6   7.711   6.122  10.870
   63   2H4     C   6          2H4         C   6   9.278   5.500  11.334
   64    H5     C   6           H5         C   6  10.949   6.795  12.386
   65    H6     C   6           H6         C   6  11.534   9.030  13.261
   66   1H5*    G   7          1H5*        G   7   8.877  12.911  17.758
   67   2H5*    G   7          2H5*        G   7   8.762  12.450  19.456
   68    H4*    G   7           H4*        G   7   6.564  12.904  18.717
   69    H3*    G   7           H3*        G   7   7.125   9.968  19.038
   70    H2*    G   7           H2*        G   7   4.885   9.461  18.483
   71   2HO*    G   7          2HO*        G   7   3.603  10.991  19.339
   72    H1*    G   7           H1*        G   7   4.795  11.200  16.288
   73    H8     G   7           H8         G   7   8.103   9.448  16.590
   74    H1     G   7           H1         G   7   3.610   6.044  13.411
   75   1H2     G   7          1H2         G   7   1.780   6.977  13.596
   76   2H2     G   7          2H2         G   7   1.505   8.461  14.481
   77   1H5*    G   8          1H5*        G   8   3.333   9.706  19.720
   78   2H5*    G   8          2H5*        G   8   3.374  10.264  21.392
   79    H4*    G   8           H4*        G   8   1.718   8.675  21.467
   80    H3*    G   8           H3*        G   8   4.291   7.553  22.409
   81    H2*    G   8           H2*        G   8   3.510   5.324  22.472
   82   2HO*    G   8          2HO*        G   8   1.341   5.073  22.731
   83    H1*    G   8           H1*        G   8   2.321   5.444  19.928
   84    H8     G   8           H8         G   8   5.579   7.242  19.879
   85    H1     G   8           H1         G   8   6.188   0.827  19.280
   86   1H2     G   8          1H2         G   8   4.379  -0.077  19.683
   87   2H2     G   8          2H2         G   8   2.915   0.776  20.118
   88   1H5*    C   9          1H5*        C   9   1.453   6.191  24.502
   89   2H5*    C   9          2H5*        C   9   1.348   5.994  26.252
   90    H4*    C   9           H4*        C   9   1.228   3.834  25.262
   91    H3*    C   9           H3*        C   9   3.993   4.274  26.445
   92    H2*    C   9           H2*        C   9   4.217   1.924  26.337
   93   2HO*    C   9          2HO*        C   9   1.394   2.233  26.072
   94    H1*    C   9           H1*        C   9   3.046   1.701  23.801
   95   1H4     C   9          1H4         C   9   9.331   1.919  22.674
   96   2H4     C   9          2H4         C   9   9.264   3.666  22.733
   97    H5     C   9           H5         C   9   7.328   4.889  23.314
   98    H6     C   9           H6         C   9   4.957   4.735  23.988
   99   1H5*    U  10          1H5*        U  10   1.869   1.464  28.453
  100   2H5*    U  10          2H5*        U  10   2.059   1.321  30.200
  101    H4*    U  10           H4*        U  10   2.458  -0.813  29.159
  102    H3*    U  10           H3*        U  10   4.841   0.520  30.411
  103    H2*    U  10           H2*        U  10   6.190  -1.347  29.894
  104   2HO*    U  10          2HO*        U  10   5.109  -3.306  29.350
  105    H1*    U  10           H1*        U  10   5.245  -1.612  27.275
  106    H3     U  10           H3         U  10   9.559  -0.106  27.000
  107    H5     U  10           H5         U  10   7.244   3.331  27.604
  108    H6     U  10           H6         U  10   5.335   1.851  28.023
  109   1H5*    U  11          1H5*        U  11   4.584  -3.244  31.778
  110   2H5*    U  11          2H5*        U  11   4.604  -3.486  33.525
  111    H4*    U  11           H4*        U  11   6.230  -4.941  32.642
  112    H3*    U  11           H3*        U  11   7.431  -2.511  33.936
  113    H2*    U  11           H2*        U  11   9.607  -3.327  33.511
  114   2HO*    U  11          2HO*        U  11   8.436  -5.685  32.398
  115    H1*    U  11           H1*        U  11   9.063  -4.056  30.862
  116    H3     U  11           H3         U  11  11.791  -0.475  30.359
  117    H5     U  11           H5         U  11   8.137   1.205  31.525
  118    H6     U  11           H6         U  11   7.319  -1.076  31.901
  119   1H5*    G  12          1H5*        G  12   9.445  -6.047  35.266
  120   2H5*    G  12          2H5*        G  12   9.555  -6.023  37.026
  121    H4*    G  12           H4*        G  12  11.718  -6.510  36.236
  122    H3*    G  12           H3*        G  12  11.412  -3.709  37.242
  123    H2*    G  12           H2*        G  12  13.625  -3.167  36.683
  124   2HO*    G  12          2HO*        G  12  14.541  -5.061  37.493
  125    H1*    G  12           H1*        G  12  13.630  -4.455  34.196
  126    H8     G  12           H8         G  12  10.480  -2.585  35.212
  127    H1     G  12           H1         G  12  14.725   0.897  31.785
  128   1H2     G  12          1H2         G  12  16.454  -0.194  31.518
  129   2H2     G  12          2H2         G  12  16.717  -1.810  32.132
  130   1H5*    C  13          1H5*        C  13  14.770  -5.435  38.718
  131   2H5*    C  13          2H5*        C  13  15.089  -5.315  40.448
  132    H4*    C  13           H4*        C  13  17.050  -4.562  39.434
  133    H3*    C  13           H3*        C  13  15.362  -2.269  40.385
  134    H2*    C  13           H2*        C  13  16.983  -0.719  39.642
  135   2HO*    C  13          2HO*        C  13  18.607  -2.957  38.890
  136    H1*    C  13           H1*        C  13  17.356  -1.950  37.155
  137   1H4     C  13          1H4         C  13  13.014   2.531  35.871
  138   2H4     C  13          2H4         C  13  11.791   1.605  36.711
  139    H5     C  13           H5         C  13  12.226  -0.409  37.866
  140    H6     C  13           H6         C  13  13.961  -2.046  38.504
  141   1H5*    U  14          1H5*        U  14  19.003  -1.639  41.809
  142   2H5*    U  14          2H5*        U  14  19.201  -1.086  43.472
  143    H4*    U  14           H4*        U  14  20.152   0.535  41.986
  144    H3*    U  14           H3*        U  14  17.636   1.387  43.391
  145    H2*    U  14           H2*        U  14  17.802   3.537  42.426
  146   2HO*    U  14          2HO*        U  14  20.331   2.820  42.585
  147    H1*    U  14           H1*        U  14  18.382   2.583  39.853
  148    H3     U  14           H3         U  14  14.193   4.173  39.280
  149    H5     U  14           H5         U  14  13.622   0.721  41.580
  150    H6     U  14           H6         U  14  16.062   0.554  41.756
  151   1H5*    G  15          1H5*        G  15  20.641   4.317  44.234
  152   2H5*    G  15          2H5*        G  15  20.671   4.711  45.952
  153    H4*    G  15           H4*        G  15  20.494   6.771  44.868
  154    H3*    G  15           H3*        G  15  17.836   5.870  45.938
  155    H2*    G  15           H2*        G  15  16.831   7.875  45.191
  156   2HO*    G  15          2HO*        G  15  19.458   8.557  45.460
  157    H1*    G  15           H1*        G  15  18.034   7.806  42.663
  158    H8     G  15           H8         G  15  16.982   4.416  43.926
  159    H1     G  15           H1         G  15  12.324   7.643  40.800
  160   1H2     G  15          1H2         G  15  12.950   9.574  40.435
  161   2H2     G  15          2H2         G  15  14.505  10.222  40.906
  162   1H5*    G  16          1H5*        G  16  18.391   9.241  48.300
  163   2H5*    G  16          2H5*        G  16  17.524   9.162  49.835
  164    H4*    G  16           H4*        G  16  16.384  10.587  48.207
  165    H3*    G  16           H3*        G  16  14.935   8.074  49.057
  166    H2*    G  16           H2*        G  16  13.010   8.898  47.960
  167   2HO*    G  16          2HO*        G  16  13.978  11.292  47.078
  168    H1*    G  16           H1*        G  16  14.414   9.751  45.681
  169    H8     G  16           H8         G  16  15.690   6.469  46.957
  170    H1     G  16           H1         G  16  10.523   5.932  43.098
  171   1H2     G  16          1H2         G  16   9.732   7.804  42.741
  172   2H2     G  16          2H2         G  16  10.373   9.295  43.392
  173   1H5*    A  17          1H5*        A  17  12.542   7.047  50.747
  174   2H5*    A  17          2H5*        A  17  11.751   7.310  49.193
  175    H4*    A  17           H4*        A  17  10.368   6.768  51.362
  176    H3*    A  17           H3*        A  17   9.564   8.814  49.269
  177    H2*    A  17           H2*        A  17   7.436   8.825  50.297
  178   2HO*    A  17          2HO*        A  17   7.965   6.368  50.534
  179    H1*    A  17           H1*        A  17   8.455   8.837  52.911
  180    H8     A  17           H8         A  17  10.698  11.126  51.227
  181   1H6     A  17          1H6         A  17   6.248  15.496  51.438
  182   2H6     A  17          2H6         A  17   7.947  15.217  51.131
  183    H2     A  17           H2         A  17   4.405  11.584  52.460
  184   1H5*    G  18          1H5*        G  18   5.094   7.703  48.712
  185   2H5*    G  18          2H5*        G  18   5.628   7.255  47.092
  186    H4*    G  18           H4*        G  18   4.230   9.302  47.168
  187    H3*    G  18           H3*        G  18   6.937   9.254  45.944
  188    H2*    G  18           H2*        G  18   6.956  11.581  45.538
  189   2HO*    G  18          2HO*        G  18   4.926  12.705  45.778
  190    H1*    G  18           H1*        G  18   6.093  12.302  48.081
  191    H8     G  18           H8         G  18   8.487   9.386  47.369
  192    H1     G  18           H1         G  18  11.255  14.794  49.601
  193   1H2     G  18          1H2         G  18   9.821  16.259  49.827
  194   2H2     G  18          2H2         G  18   8.122  16.053  49.465
  195   1H5*    A  19          1H5*        A  19   4.126  11.140  43.626
  196   2H5*    A  19          2H5*        A  19   3.871  10.634  41.955
  197    H4*    A  19           H4*        A  19   4.021  12.906  41.711
  198    H3*    A  19           H3*        A  19   6.568  11.606  41.070
  199    H2*    A  19           H2*        A  19   7.906  13.551  41.165
  200   2HO*    A  19          2HO*        A  19   6.764  15.264  40.483
  201    H1*    A  19           H1*        A  19   6.906  14.427  43.614
  202    H8     A  19           H8         A  19   7.815  10.890  42.407
  203   1H6     A  19          1H6         A  19  12.436  11.215  46.591
  204   2H6     A  19          2H6         A  19  11.700  10.204  45.368
  205    H2     A  19           H2         A  19  10.115  14.999  46.786
  206   1H5*    C  20          1H5*        C  20   5.910  11.604  35.764
  207   2H5*    C  20          2H5*        C  20   5.980  10.327  36.977
  208    H4*    C  20           H4*        C  20   7.339  13.027  37.159
  209    H3*    C  20           H3*        C  20   8.365  10.304  36.379
  210    H2*    C  20           H2*        C  20  10.454  10.829  37.352
  211   2HO*    C  20          2HO*        C  20  10.169  13.306  38.239
  212    H1*    C  20           H1*        C  20   9.349  11.926  39.681
  213   1H4     C  20          1H4         C  20  10.710   5.816  41.050
  214   2H4     C  20          2H4         C  20   9.073   5.399  40.594
  215    H5     C  20           H5         C  20   7.546   6.921  39.631
  216    H6     C  20           H6         C  20   7.211   9.243  38.860
  217   1H5*    G  21          1H5*        G  21  11.100  13.294  35.409
  218   2H5*    G  21          2H5*        G  21  11.509  13.286  33.694
  219    H4*    G  21           H4*        G  21  13.549  13.556  34.801
  220    H3*    G  21           H3*        G  21  13.135  10.787  33.775
  221    H2*    G  21           H2*        G  21  15.145  10.003  34.737
  222   2HO*    G  21          2HO*        G  21  16.178  12.111  35.950
  223    H1*    G  21           H1*        G  21  14.673  11.273  37.219
  224    H8     G  21           H8         G  21  11.570   9.682  35.889
  225    H1     G  21           H1         G  21  15.450   5.552  39.014
  226   1H2     G  21          1H2         G  21  17.264   6.458  39.386
  227   2H2     G  21          2H2         G  21  17.674   8.094  38.920
  228   1H5*    G  22          1H5*        G  22  17.053  11.645  33.107
  229   2H5*    G  22          2H5*        G  22  17.451  11.643  31.389
  230    H4*    G  22           H4*        G  22  19.133  10.371  32.379
  231    H3*    G  22           H3*        G  22  17.068   8.670  31.050
  232    H2*    G  22           H2*        G  22  18.133   6.676  31.740
  233   2HO*    G  22          2HO*        G  22  20.255   7.289  31.428
  234    H1*    G  22           H1*        G  22  18.515   7.555  34.387
  235    H8     G  22           H8         G  22  15.159   8.561  33.081
  236    H1     G  22           H1         G  22  15.338   2.514  35.379
  237   1H2     G  22          1H2         G  22  17.294   1.974  35.746
  238   2H2     G  22          2H2         G  22  18.680   3.006  35.471
  239   1H5*    C  23          1H5*        C  23  20.685   7.063  30.145
  240   2H5*    C  23          2H5*        C  23  20.986   6.901  28.415
  241    H4*    C  23           H4*        C  23  21.470   4.798  29.322
  242    H3*    C  23           H3*        C  23  18.762   4.829  28.013
  243    H2*    C  23           H2*        C  23  18.514   2.520  28.455
  244   2HO*    C  23          2HO*        C  23  20.379   1.375  28.569
  245    H1*    C  23           H1*        C  23  19.428   2.712  31.105
  246   1H4     C  23          1H4         C  23  13.080   2.959  31.676
  247   2H4     C  23          2H4         C  23  13.097   4.629  31.154
  248    H5     C  23           H5         C  23  15.039   5.761  30.430
  249    H6     C  23           H6         C  23  17.466   5.568  30.022
  250   1H5*    A  24          1H5*        A  24  21.279   1.755  26.684
  251   2H5*    A  24          2H5*        A  24  21.243   1.391  24.959
  252    H4*    A  24           H4*        A  24  20.923  -0.661  26.053
  253    H3*    A  24           H3*        A  24  18.419   0.454  24.863
  254    H2*    A  24           H2*        A  24  17.124  -1.348  25.676
  255   2HO*    A  24          2HO*        A  24  19.740  -2.346  26.337
  256    H1*    A  24           H1*        A  24  18.232  -1.267  28.254
  257    H8     A  24           H8         A  24  17.625   2.129  26.739
  258   1H6     A  24          1H6         A  24  11.960   1.864  29.343
  259   2H6     A  24          2H6         A  24  13.078   2.900  28.487
  260    H2     A  24           H2         A  24  13.912  -2.095  29.856
  261   1H5*    A  25          1H5*        A  25  18.996  -3.579  24.064
  262   2H5*    A  25          2H5*        A  25  18.659  -4.147  22.429
  263    H4*    A  25           H4*        A  25  17.477  -5.557  23.921
  264    H3*    A  25           H3*        A  25  15.756  -3.651  22.385
  265    H2*    A  25           H2*        A  25  13.799  -4.460  23.435
  266   2HO*    A  25          2HO*        A  25  13.937  -6.579  23.883
  267    H1*    A  25           H1*        A  25  14.870  -4.411  26.014
  268    H8     A  25           H8         A  25  16.079  -1.474  24.041
  269   1H6     A  25          1H6         A  25  10.894   1.481  25.868
  270   2H6     A  25          2H6         A  25  12.436   1.686  25.066
  271    H2     A  25           H2         A  25  10.551  -2.789  27.049
  272   1H5*    G  26          1H5*        G  26  13.933  -7.268  22.424
  273   2H5*    G  26          2H5*        G  26  13.785  -7.976  20.817
  274    H4*    G  26           H4*        G  26  11.702  -8.327  21.798
  275    H3*    G  26           H3*        G  26  11.658  -6.002  19.913
  276    H2*    G  26           H2*        G  26   9.383  -5.575  20.379
  277   2HO*    G  26          2HO*        G  26   9.608  -8.204  20.876
  278    H1*    G  26           H1*        G  26   9.634  -5.778  23.143
  279    H8     G  26           H8         G  26  12.628  -4.204  21.472
  280    H1     G  26           H1         G  26   7.934  -0.024  23.014
  281   1H2     G  26          1H2         G  26   6.270  -1.062  23.651
  282   2H2     G  26          2H2         G  26   6.162  -2.805  23.752
  283   1H5*    A  27          1H5*        A  27   9.498  -9.505  17.704
  284   2H5*    A  27          2H5*        A  27   8.836  -8.870  16.197
  285    H4*    A  27           H4*        A  27   7.409  -8.912  18.397
  286    H3*    A  27           H3*        A  27   7.473  -6.681  16.359
  287    H2*    A  27           H2*        A  27   5.708  -5.640  17.528
  288   2HO*    A  27          2HO*        A  27   5.415  -7.655  19.431
  289    H1*    A  27           H1*        A  27   6.796  -6.130  20.072
  290    H8     A  27           H8         A  27   9.499  -5.168  17.696
  291   1H6     A  27          1H6         A  27   8.132   0.778  19.009
  292   2H6     A  27          2H6         A  27   9.283  -0.268  18.207
  293    H2     A  27           H2         A  27   4.980  -1.798  20.789
  294   1H5*    G  28          1H5*        G  28   3.394  -7.088  17.318
  295   2H5*    G  28          2H5*        G  28   2.548  -6.935  15.778
  296    H4*    G  28           H4*        G  28   1.920  -5.199  17.412
  297    H3*    G  28           H3*        G  28   3.081  -4.457  14.759
  298    H2*    G  28           H2*        G  28   2.993  -2.153  15.267
  299   2HO*    G  28          2HO*        G  28   1.587  -1.506  16.904
  300    H1*    G  28           H1*        G  28   4.061  -2.449  17.847
  301    H8     G  28           H8         G  28   5.768  -4.696  15.389
  302    H1     G  28           H1         G  28   8.118   1.334  15.470
  303   1H2     G  28          1H2         G  28   6.887   2.537  16.604
  304   2H2     G  28          2H2         G  28   5.434   1.994  17.413
  305   1H5*    G  29          1H5*        G  29  -2.215  -3.339  13.104
  306   2H5*    G  29          2H5*        G  29  -0.907  -3.706  11.979
  307    H4*    G  29           H4*        G  29  -0.794  -2.068  14.508
  308    H3*    G  29           H3*        G  29   0.264  -1.315  11.771
  309    H2*    G  29           H2*        G  29   0.455   0.770  12.851
  310   2HO*    G  29          2HO*        G  29  -1.719  -0.422  14.188
  311    H1*    G  29           H1*        G  29   1.039  -0.295  15.375
  312    H8     G  29           H8         G  29   2.685  -2.192  12.578
  313    H1     G  29           H1         G  29   6.055   2.942  14.622
  314   1H2     G  29          1H2         G  29   4.901   4.050  15.924
  315   2H2     G  29          2H2         G  29   3.265   3.647  16.392
  316   1H5*    C  30          1H5*        C  30  -0.123   0.852   9.478
  317   2H5*    C  30          2H5*        C  30  -0.618   0.673  11.160
  318    H4*    C  30           H4*        C  30  -2.673   2.091   9.770
  319    H3*    C  30           H3*        C  30   0.005   2.826   8.824
  320    H2*    C  30           H2*        C  30  -0.071   5.083   9.495
  321   2HO*    C  30          2HO*        C  30  -2.464   4.854   8.865
  322    H1*    C  30           H1*        C  30  -0.964   4.636  12.058
  323   1H4     C  30          1H4         C  30   5.388   4.268  12.597
  324   2H4     C  30          2H4         C  30   5.320   2.587  12.118
  325    H5     C  30           H5         C  30   3.346   1.498  11.417
  326    H6     C  30           H6         C  30   0.926   1.755  10.999
  327   1H5*    G  31          1H5*        G  31  -2.488   5.785   7.499
  328   2H5*    G  31          2H5*        G  31  -2.238   6.334   5.843
  329    H4*    G  31           H4*        G  31  -1.942   8.173   7.371
  330    H3*    G  31           H3*        G  31   0.579   7.224   6.010
  331    H2*    G  31           H2*        G  31   1.719   9.083   6.916
  332   2HO*    G  31          2HO*        G  31  -0.865   9.928   6.821
  333    H1*    G  31           H1*        G  31   0.630   8.807   9.476
  334    H8     G  31           H8         G  31   1.324   5.445   8.002
  335    H1     G  31           H1         G  31   6.524   8.215  10.678
  336   1H2     G  31          1H2         G  31   6.098  10.180  11.137
  337   2H2     G  31          2H2         G  31   4.561  10.961  10.840
  338   1H5*    A  32          1H5*        A  32  -0.222  11.220   5.453
  339   2H5*    A  32          2H5*        A  32  -0.092  11.837   3.806
  340    H4*    A  32           H4*        A  32   1.088  13.363   5.135
  341    H3*    A  32           H3*        A  32   2.875  11.531   3.592
  342    H2*    A  32           H2*        A  32   4.820  12.478   4.543
  343   2HO*    A  32          2HO*        A  32   3.297  14.537   4.507
  344    H1*    A  32           H1*        A  32   3.838  12.427   7.167
  345    H8     A  32           H8         A  32   2.806   9.358   5.295
  346   1H6     A  32          1H6         A  32   8.245   6.850   7.047
  347   2H6     A  32          2H6         A  32   6.704   6.509   6.293
  348    H2     A  32           H2         A  32   8.291  11.161   8.122
  349   1H5*    G  33          1H5*        G  33   4.334  15.344   3.468
  350   2H5*    G  33          2H5*        G  33   4.429  16.020   1.842
  351    H4*    G  33           H4*        G  33   6.464  16.603   2.772
  352    H3*    G  33           H3*        G  33   6.728  14.184   1.048
  353    H2*    G  33           H2*        G  33   9.012  13.906   1.601
  354   2HO*    G  33          2HO*        G  33   9.978  15.819   1.933
  355    H1*    G  33           H1*        G  33   8.579  14.276   4.365
  356    H8     G  33           H8         G  33   5.950  12.173   2.693
  357    H1     G  33           H1         G  33  11.150   8.840   4.626
  358   1H2     G  33          1H2         G  33  12.622  10.151   5.233
  359   2H2     G  33          2H2         G  33  12.470  11.894   5.220
  360   1H5*    U  34          1H5*        U  34   9.862  16.515   0.319
  361   2H5*    U  34          2H5*        U  34  10.210  16.950  -1.355
  362    H4*    U  34           H4*        U  34  12.202  16.048  -0.494
  363    H3*    U  34           H3*        U  34  10.761  14.022  -2.209
  364    H2*    U  34           H2*        U  34  12.656  12.620  -2.045
  365   2HO*    U  34          2HO*        U  34  14.624  13.587  -1.473
  366    H1*    U  34           H1*        U  34  13.006  13.021   0.703
  367    H3     U  34           H3         U  34  11.531   8.740   0.473
  368    H5     U  34           H5         U  34   8.087  11.030  -0.186
  369    H6     U  34           H6         U  34   9.535  13.007  -0.256
  370   1H5*    C  35          1H5*        C  35  14.380  14.601  -3.871
  371   2H5*    C  35          2H5*        C  35  14.469  14.782  -5.623
  372    H4*    C  35           H4*        C  35  15.869  12.977  -5.135
  373    H3*    C  35           H3*        C  35  13.187  11.942  -6.072
  374    H2*    C  35           H2*        C  35  14.128   9.776  -6.143
  375   2HO*    C  35          2HO*        C  35  16.093  10.798  -7.052
  376    H1*    C  35           H1*        C  35  15.444  10.012  -3.684
  377   1H4     C  35          1H4         C  35   9.954   7.180  -2.119
  378   2H4     C  35          2H4         C  35   9.105   8.696  -2.313
  379    H5     C  35           H5         C  35  10.122  10.683  -3.089
  380    H6     C  35           H6         C  35  12.225  11.711  -3.874
  381   1H5*    C  36          1H5*        C  36  15.882  10.404  -8.968
  382   2H5*    C  36          2H5*        C  36  15.255  10.752 -10.580
  383    H4*    C  36           H4*        C  36  15.632   8.444 -10.556
  384    H3*    C  36           H3*        C  36  12.718   9.087 -10.186
  385    H2*    C  36           H2*        C  36  12.194   6.782 -10.169
  386   2HO*    C  36          2HO*        C  36  13.490   5.846 -11.649
  387    H1*    C  36           H1*        C  36  14.305   6.104  -8.437
  388   1H4     C  36          1H4         C  36   9.369   6.657  -4.454
  389   2H4     C  36          2H4         C  36   9.342   8.388  -4.699
  390    H5     C  36           H5         C  36  10.756   9.526  -6.211
  391    H6     C  36           H6         C  36  12.562   9.279  -7.877
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   3.341  -1.155  -1.498
    2   2H5*    G   1          2H5*        G   1   4.352  -2.076  -0.385
    3    H4*    G   1           H4*        G   1   5.374  -1.937  -2.583
    4    H3*    G   1           H3*        G   1   6.810  -0.484  -0.359
    5    H2*    G   1           H2*        G   1   8.531   0.035  -1.830
    6   2HO*    G   1          2HO*        G   1   7.558  -2.386  -2.792
    7    H1*    G   1           H1*        G   1   6.885   0.234  -4.157
    8    H8     G   1           H8         G   1   5.324   2.247  -1.519
    9    H1     G   1           H1         G   1  10.418   5.227  -4.175
   10   1H2     G   1          1H2         G   1  11.482   3.883  -5.322
   11   2H2     G   1          2H2         G   1  11.057   2.200  -5.533
   12   1H5*    G   2          1H5*        G   2   9.766  -3.057  -2.007
   13   2H5*    G   2          2H5*        G   2  10.600  -3.827  -0.658
   14    H4*    G   2           H4*        G   2  12.274  -2.788  -1.938
   15    H3*    G   2           H3*        G   2  11.617  -1.069   0.469
   16    H2*    G   2           H2*        G   2  13.538   0.202  -0.043
   17   2HO*    G   2          2HO*        G   2  14.942  -1.476  -0.484
   18    H1*    G   2           H1*        G   2  13.077   0.324  -2.778
   19    H8     G   2           H8         G   2   9.997   0.408  -0.557
   20    H1     G   2           H1         G   2  12.441   6.217  -2.028
   21   1H2     G   2          1H2         G   2  14.225   5.979  -3.034
   22   2H2     G   2          2H2         G   2  14.952   4.436  -3.421
   23   1H5*    A   3          1H5*        A   3  15.534  -1.569   0.701
   24   2H5*    A   3          2H5*        A   3  16.117  -1.753   2.356
   25    H4*    A   3           H4*        A   3  17.053   0.229   1.308
   26    H3*    A   3           H3*        A   3  15.064   0.919   3.503
   27    H2*    A   3           H2*        A   3  16.136   3.017   3.536
   28   2HO*    A   3          2HO*        A   3  18.164   1.522   3.225
   29    H1*    A   3           H1*        A   3  16.374   3.292   0.798
   30    H8     A   3           H8         A   3  13.248   1.432   1.812
   31   1H6     A   3          1H6         A   3  10.447   7.008   1.947
   32   2H6     A   3          2H6         A   3  10.178   5.283   2.061
   33    H2     A   3           H2         A   3  14.799   7.653   1.319
   34   1H5*    C   4          1H5*        C   4  18.391   2.318   5.409
   35   2H5*    C   4          2H5*        C   4  18.184   2.000   7.131
   36    H4*    C   4           H4*        C   4  18.266   4.412   6.527
   37    H3*    C   4           H3*        C   4  15.687   3.448   7.815
   38    H2*    C   4           H2*        C   4  15.320   5.726   8.328
   39   2HO*    C   4          2HO*        C   4  17.185   6.665   8.915
   40    H1*    C   4           H1*        C   4  16.177   6.667   5.836
   41   1H4     C   4          1H4         C   4   9.841   6.122   5.241
   42   2H4     C   4          2H4         C   4  10.034   4.421   4.885
   43    H5     C   4           H5         C   4  12.100   3.281   4.987
   44    H6     C   4           H6         C   4  14.514   3.496   5.461
   45   1H5*    U   5          1H5*        U   5  17.675   6.380  10.327
   46   2H5*    U   5          2H5*        U   5  17.193   6.070  11.994
   47    H4*    U   5           H4*        U   5  16.629   8.345  11.152
   48    H3*    U   5           H3*        U   5  14.416   6.542  12.146
   49    H2*    U   5           H2*        U   5  12.947   8.387  12.030
   50   2HO*    U   5          2HO*        U   5  15.323   9.547  12.490
   51    H1*    U   5           H1*        U   5  13.862   9.270   9.538
   52    H3     U   5           H3         U   5   9.649   7.589   8.908
   53    H5     U   5           H5         U   5  12.182   4.256   8.774
   54    H6     U   5           H6         U   5  13.995   5.728   9.520
   55   1H5*    C   6          1H5*        C   6  14.344  10.228  14.502
   56   2H5*    C   6          2H5*        C   6  13.978   9.774  16.167
   57    H4*    C   6           H4*        C   6  12.438  11.472  15.369
   58    H3*    C   6           H3*        C   6  11.281   8.755  15.962
   59    H2*    C   6           H2*        C   6   9.111   9.603  15.564
   60   2HO*    C   6          2HO*        C   6   9.149  12.065  15.148
   61    H1*    C   6           H1*        C   6   9.845  10.978  13.227
   62   1H4     C   6          1H4         C   6   7.455   5.408  11.195
   63   2H4     C   6          2H4         C   6   9.029   4.678  11.415
   64    H5     C   6           H5         C   6  10.872   5.790  12.386
   65    H6     C   6           H6         C   6  11.665   7.899  13.398
   66   1H5*    G   7          1H5*        G   7   9.275  11.873  18.089
   67   2H5*    G   7          2H5*        G   7   9.157  11.496  19.807
   68    H4*    G   7           H4*        G   7   7.027  12.241  19.228
   69    H3*    G   7           H3*        G   7   7.174   9.272  19.459
   70    H2*    G   7           H2*        G   7   4.938   8.988  18.753
   71   2HO*    G   7          2HO*        G   7   4.813  11.318  19.914
   72    H1*    G   7           H1*        G   7   5.192  10.819  16.608
   73    H8     G   7           H8         G   7   8.158   8.561  16.907
   74    H1     G   7           H1         G   7   3.240   5.958  13.601
   75   1H2     G   7          1H2         G   7   1.570   7.150  13.800
   76   2H2     G   7          2H2         G   7   1.510   8.634  14.726
   77   1H5*    G   8          1H5*        G   8   2.745   9.618  20.102
   78   2H5*    G   8          2H5*        G   8   3.014   9.881  21.825
   79    H4*    G   8           H4*        G   8   1.249   8.273  21.506
   80    H3*    G   8           H3*        G   8   3.793   7.279  22.732
   81    H2*    G   8           H2*        G   8   2.916   5.093  22.934
   82   2HO*    G   8          2HO*        G   8   0.813   6.275  23.423
   83    H1*    G   8           H1*        G   8   1.891   5.006  20.337
   84    H8     G   8           H8         G   8   5.155   6.818  20.358
   85    H1     G   8           H1         G   8   5.778   0.378  20.195
   86   1H2     G   8          1H2         G   8   3.942  -0.499  20.537
   87   2H2     G   8          2H2         G   8   2.458   0.379  20.824
   88   1H5*    C   9          1H5*        C   9   0.552   5.148  24.724
   89   2H5*    C   9          2H5*        C   9   1.138   4.915  26.371
   90    H4*    C   9           H4*        C   9   0.744   2.823  25.022
   91    H3*    C   9           H3*        C   9   3.487   3.314  26.222
   92    H2*    C   9           H2*        C   9   3.926   1.029  25.800
   93   2HO*    C   9          2HO*        C   9   1.243   0.683  24.908
   94    H1*    C   9           H1*        C   9   2.760   1.053  23.247
   95   1H4     C   9          1H4         C   9   9.017   1.923  22.254
   96   2H4     C   9          2H4         C   9   8.783   3.644  22.460
   97    H5     C   9           H5         C   9   6.737   4.623  23.120
   98    H6     C   9           H6         C   9   4.390   4.188  23.750
   99   1H5*    U  10          1H5*        U  10   1.592   0.065  27.799
  100   2H5*    U  10          2H5*        U  10   1.701  -0.208  29.539
  101    H4*    U  10           H4*        U  10   2.298  -2.244  28.531
  102    H3*    U  10           H3*        U  10   4.641  -0.730  29.612
  103    H2*    U  10           H2*        U  10   6.151  -2.394  28.878
  104   2HO*    U  10          2HO*        U  10   5.280  -4.434  28.330
  105    H1*    U  10           H1*        U  10   5.007  -2.614  26.325
  106    H3     U  10           H3         U  10   9.122  -0.690  25.774
  107    H5     U  10           H5         U  10   6.582   2.468  26.830
  108    H6     U  10           H6         U  10   4.859   0.791  27.308
  109   1H5*    U  11          1H5*        U  11   5.151  -4.589  30.642
  110   2H5*    U  11          2H5*        U  11   5.226  -4.868  32.382
  111    H4*    U  11           H4*        U  11   7.039  -6.050  31.497
  112    H3*    U  11           H3*        U  11   7.880  -3.463  32.751
  113    H2*    U  11           H2*        U  11  10.146  -3.873  32.220
  114   2HO*    U  11          2HO*        U  11   9.571  -6.209  32.721
  115    H1*    U  11           H1*        U  11   9.607  -4.669  29.581
  116    H3     U  11           H3         U  11  11.701  -0.695  29.001
  117    H5     U  11           H5         U  11   7.892   0.372  30.379
  118    H6     U  11           H6         U  11   7.469  -2.013  30.757
  119   1H5*    G  12          1H5*        G  12  10.287  -6.375  34.058
  120   2H5*    G  12          2H5*        G  12  10.671  -6.469  35.776
  121    H4*    G  12           H4*        G  12  12.716  -6.347  34.555
  122    H3*    G  12           H3*        G  12  12.049  -3.779  36.003
  123    H2*    G  12           H2*        G  12  14.157  -2.948  35.412
  124   2HO*    G  12          2HO*        G  12  14.596  -5.584  35.688
  125    H1*    G  12           H1*        G  12  14.205  -3.997  32.820
  126    H8     G  12           H8         G  12  10.856  -2.669  33.986
  127    H1     G  12           H1         G  12  14.628   1.719  31.086
  128   1H2     G  12          1H2         G  12  16.494   0.909  30.751
  129   2H2     G  12          2H2         G  12  16.968  -0.718  31.190
  130   1H5*    C  13          1H5*        C  13  15.599  -5.191  37.384
  131   2H5*    C  13          2H5*        C  13  15.981  -4.968  39.091
  132    H4*    C  13           H4*        C  13  17.674  -3.880  37.837
  133    H3*    C  13           H3*        C  13  15.731  -1.930  39.079
  134    H2*    C  13           H2*        C  13  17.149  -0.165  38.401
  135   2HO*    C  13          2HO*        C  13  18.845  -2.409  38.260
  136    H1*    C  13           H1*        C  13  17.569  -1.182  35.828
  137   1H4     C  13          1H4         C  13  12.707   2.835  34.943
  138   2H4     C  13          2H4         C  13  11.632   1.746  35.791
  139    H5     C  13           H5         C  13  12.335  -0.257  36.826
  140    H6     C  13           H6         C  13  14.264  -1.724  37.306
  141   1H5*    U  14          1H5*        U  14  19.268  -0.785  40.150
  142   2H5*    U  14          2H5*        U  14  19.597  -0.596  41.872
  143    H4*    U  14           H4*        U  14  20.279   1.410  40.841
  144    H3*    U  14           H3*        U  14  17.674   1.683  42.316
  145    H2*    U  14           H2*        U  14  17.599   3.989  41.800
  146   2HO*    U  14          2HO*        U  14  19.644   4.772  40.654
  147    H1*    U  14           H1*        U  14  18.271   3.644  39.106
  148    H3     U  14           H3         U  14  13.908   4.782  38.806
  149    H5     U  14           H5         U  14  13.802   0.877  40.316
  150    H6     U  14           H6         U  14  16.245   0.988  40.500
  151   1H5*    G  15          1H5*        G  15  20.805   4.699  43.987
  152   2H5*    G  15          2H5*        G  15  20.430   4.763  45.709
  153    H4*    G  15           H4*        G  15  20.569   6.998  44.880
  154    H3*    G  15           H3*        G  15  17.873   6.039  45.701
  155    H2*    G  15           H2*        G  15  16.812   8.036  45.010
  156   2HO*    G  15          2HO*        G  15  19.416   8.801  45.376
  157    H1*    G  15           H1*        G  15  18.161   8.120  42.534
  158    H8     G  15           H8         G  15  17.007   4.683  43.551
  159    H1     G  15           H1         G  15  12.551   8.136  40.373
  160   1H2     G  15          1H2         G  15  13.212  10.077  40.152
  161   2H2     G  15          2H2         G  15  14.745  10.680  40.740
  162   1H5*    G  16          1H5*        G  16  17.595   9.980  47.142
  163   2H5*    G  16          2H5*        G  16  16.838   9.849  48.729
  164    H4*    G  16           H4*        G  16  15.475  11.140  47.159
  165    H3*    G  16           H3*        G  16  14.300   8.520  48.115
  166    H2*    G  16           H2*        G  16  12.242   9.204  47.173
  167   2HO*    G  16          2HO*        G  16  12.669  11.616  46.225
  168    H1*    G  16           H1*        G  16  13.431  10.178  44.808
  169    H8     G  16           H8         G  16  14.877   6.924  46.022
  170    H1     G  16           H1         G  16   9.657   6.251  42.257
  171   1H2     G  16          1H2         G  16   8.805   8.100  41.923
  172   2H2     G  16          2H2         G  16   9.414   9.607  42.569
  173   1H5*    A  17          1H5*        A  17  12.149   7.293  50.088
  174   2H5*    A  17          2H5*        A  17  11.337   7.416  48.527
  175    H4*    A  17           H4*        A  17   9.978   6.795  50.648
  176    H3*    A  17           H3*        A  17   9.034   8.874  48.647
  177    H2*    A  17           H2*        A  17   6.913   8.674  49.670
  178   2HO*    A  17          2HO*        A  17   8.023   6.238  50.081
  179    H1*    A  17           H1*        A  17   7.934   8.632  52.283
  180    H8     A  17           H8         A  17   9.987  11.148  50.644
  181   1H6     A  17          1H6         A  17   5.263  15.188  51.208
  182   2H6     A  17          2H6         A  17   6.965  15.040  50.829
  183    H2     A  17           H2         A  17   3.727  11.117  52.112
  184   1H5*    G  18          1H5*        G  18   4.716   7.417  48.113
  185   2H5*    G  18          2H5*        G  18   5.189   7.154  46.434
  186    H4*    G  18           H4*        G  18   3.594   9.035  46.783
  187    H3*    G  18           H3*        G  18   6.175   9.328  45.344
  188    H2*    G  18           H2*        G  18   5.977  11.671  45.132
  189   2HO*    G  18          2HO*        G  18   3.719  12.338  46.242
  190    H1*    G  18           H1*        G  18   5.263  12.111  47.791
  191    H8     G  18           H8         G  18   7.856   9.498  46.718
  192    H1     G  18           H1         G  18  10.274  15.059  48.978
  193   1H2     G  18          1H2         G  18   8.733  16.365  49.387
  194   2H2     G  18          2H2         G  18   7.036  16.007  49.153
  195   1H5*    A  19          1H5*        A  19   3.022  10.858  43.252
  196   2H5*    A  19          2H5*        A  19   2.616  10.363  41.608
  197    H4*    A  19           H4*        A  19   2.658  12.612  41.314
  198    H3*    A  19           H3*        A  19   5.269  11.498  40.594
  199    H2*    A  19           H2*        A  19   6.473  13.530  40.663
  200   2HO*    A  19          2HO*        A  19   3.831  14.592  41.084
  201    H1*    A  19           H1*        A  19   5.463  14.312  43.153
  202    H8     A  19           H8         A  19   6.637  10.851  41.954
  203   1H6     A  19          1H6         A  19  11.417  11.690  45.876
  204   2H6     A  19          2H6         A  19  10.710  10.585  44.719
  205    H2     A  19           H2         A  19   8.794  15.269  46.097
  206   1H5*    C  20          1H5*        C  20   5.458  14.067  38.292
  207   2H5*    C  20          2H5*        C  20   6.133  14.107  36.663
  208    H4*    C  20           H4*        C  20   7.764  13.692  38.541
  209    H3*    C  20           H3*        C  20   7.817  11.320  36.672
  210    H2*    C  20           H2*        C  20  10.133  11.620  37.043
  211   2HO*    C  20          2HO*        C  20   9.201  14.154  36.941
  212    H1*    C  20           H1*        C  20   9.829  12.490  39.688
  213   1H4     C  20          1H4         C  20  10.927   6.243  40.325
  214   2H4     C  20          2H4         C  20   9.294   5.896  39.801
  215    H5     C  20           H5         C  20   7.772   7.543  39.062
  216    H6     C  20           H6         C  20   7.436   9.953  38.638
  217   1H5*    G  21          1H5*        G  21  10.222  14.310  34.900
  218   2H5*    G  21          2H5*        G  21  10.785  13.965  33.265
  219    H4*    G  21           H4*        G  21  12.632  14.140  34.859
  220    H3*    G  21           H3*        G  21  12.197  11.419  33.609
  221    H2*    G  21           H2*        G  21  14.292  10.774  34.492
  222   2HO*    G  21          2HO*        G  21  14.510  13.495  34.278
  223    H1*    G  21           H1*        G  21  13.825  11.992  36.995
  224    H8     G  21           H8         G  21  10.792  10.218  35.709
  225    H1     G  21           H1         G  21  14.961   6.339  38.785
  226   1H2     G  21          1H2         G  21  16.718   7.358  39.138
  227   2H2     G  21          2H2         G  21  17.018   9.017  38.671
  228   1H5*    G  22          1H5*        G  22  16.048  12.681  32.008
  229   2H5*    G  22          2H5*        G  22  16.092  12.237  30.302
  230    H4*    G  22           H4*        G  22  17.990  11.327  31.562
  231    H3*    G  22           H3*        G  22  16.068   9.431  30.244
  232    H2*    G  22           H2*        G  22  17.388   7.588  30.916
  233   2HO*    G  22          2HO*        G  22  19.225   9.549  31.941
  234    H1*    G  22           H1*        G  22  17.728   8.513  33.544
  235    H8     G  22           H8         G  22  14.253   9.191  32.360
  236    H1     G  22           H1         G  22  15.104   3.157  34.542
  237   1H2     G  22          1H2         G  22  17.115   2.808  34.832
  238   2H2     G  22          2H2         G  22  18.383   3.974  34.528
  239   1H5*    C  23          1H5*        C  23  19.977   8.483  28.529
  240   2H5*    C  23          2H5*        C  23  19.775   8.046  26.832
  241    H4*    C  23           H4*        C  23  20.840   6.259  28.109
  242    H3*    C  23           H3*        C  23  18.141   5.718  26.900
  243    H2*    C  23           H2*        C  23  18.255   3.471  27.626
  244   2HO*    C  23          2HO*        C  23  20.319   2.829  27.376
  245    H1*    C  23           H1*        C  23  19.181   4.135  30.199
  246   1H4     C  23          1H4         C  23  12.890   3.403  30.969
  247   2H4     C  23          2H4         C  23  12.623   4.987  30.278
  248    H5     C  23           H5         C  23  14.338   6.332  29.368
  249    H6     C  23           H6         C  23  16.756   6.487  28.890
  250   1H5*    A  24          1H5*        A  24  21.156   2.669  25.274
  251   2H5*    A  24          2H5*        A  24  20.617   2.333  23.630
  252    H4*    A  24           H4*        A  24  20.912   0.294  24.965
  253    H3*    A  24           H3*        A  24  18.240   0.968  23.809
  254    H2*    A  24           H2*        A  24  17.245  -0.954  24.761
  255   2HO*    A  24          2HO*        A  24  18.755  -2.511  25.747
  256    H1*    A  24           H1*        A  24  18.406  -0.565  27.289
  257    H8     A  24           H8         A  24  17.325   2.695  25.832
  258   1H6     A  24          1H6         A  24  11.687   1.560  28.257
  259   2H6     A  24          2H6         A  24  12.676   2.773  27.474
  260    H2     A  24           H2         A  24  14.145  -2.119  28.671
  261   1H5*    A  25          1H5*        A  25  19.087  -3.345  22.955
  262   2H5*    A  25          2H5*        A  25  18.576  -3.593  21.286
  263    H4*    A  25           H4*        A  25  17.583  -5.232  22.803
  264    H3*    A  25           H3*        A  25  15.800  -3.362  21.293
  265    H2*    A  25           H2*        A  25  13.864  -4.321  22.252
  266   2HO*    A  25          2HO*        A  25  15.844  -6.256  22.791
  267    H1*    A  25           H1*        A  25  14.883  -4.319  24.862
  268    H8     A  25           H8         A  25  15.890  -1.222  23.020
  269   1H6     A  25          1H6         A  25  10.490   1.267  24.915
  270   2H6     A  25          2H6         A  25  12.017   1.618  24.137
  271    H2     A  25           H2         A  25  10.457  -3.060  25.926
  272   1H5*    G  26          1H5*        G  26  14.102  -7.124  21.203
  273   2H5*    G  26          2H5*        G  26  13.975  -7.698  19.539
  274    H4*    G  26           H4*        G  26  11.896  -8.179  20.461
  275    H3*    G  26           H3*        G  26  11.807  -5.683  18.814
  276    H2*    G  26           H2*        G  26   9.529  -5.336  19.321
  277   2HO*    G  26          2HO*        G  26   8.609  -7.243  20.677
  278    H1*    G  26           H1*        G  26   9.813  -5.874  22.061
  279    H8     G  26           H8         G  26  12.628  -3.894  20.500
  280    H1     G  26           H1         G  26   7.750  -0.288  22.753
  281   1H2     G  26          1H2         G  26   6.191  -1.514  23.318
  282   2H2     G  26          2H2         G  26   6.204  -3.260  23.199
  283   1H5*    A  27          1H5*        A  27   9.827  -9.185  16.998
  284   2H5*    A  27          2H5*        A  27   9.289  -9.205  15.320
  285    H4*    A  27           H4*        A  27   7.418  -8.813  16.798
  286    H3*    A  27           H3*        A  27   8.190  -6.393  15.143
  287    H2*    A  27           H2*        A  27   6.116  -5.452  15.773
  288   2HO*    A  27          2HO*        A  27   4.738  -7.120  17.062
  289    H1*    A  27           H1*        A  27   6.324  -6.249  18.456
  290    H8     A  27           H8         A  27   9.496  -5.018  16.780
  291   1H6     A  27          1H6         A  27   8.037   0.593  19.094
  292   2H6     A  27          2H6         A  27   9.267  -0.313  18.241
  293    H2     A  27           H2         A  27   4.662  -2.174  19.925
  294   1H5*    G  28          1H5*        G  28   4.344  -8.026  13.257
  295   2H5*    G  28          2H5*        G  28   3.973  -7.008  11.865
  296    H4*    G  28           H4*        G  28   2.426  -6.868  13.889
  297    H3*    G  28           H3*        G  28   3.578  -4.499  12.453
  298    H2*    G  28           H2*        G  28   2.431  -3.017  13.894
  299   2HO*    G  28          2HO*        G  28   0.513  -4.249  13.920
  300    H1*    G  28           H1*        G  28   3.129  -4.376  16.235
  301    H8     G  28           H8         G  28   5.980  -4.401  13.818
  302    H1     G  28           H1         G  28   5.595   1.033  17.311
  303   1H2     G  28          1H2         G  28   3.809   1.066  18.341
  304   2H2     G  28          2H2         G  28   2.596  -0.193  18.269
  305   1H5*    G  29          1H5*        G  29  -0.687  -4.829  10.341
  306   2H5*    G  29          2H5*        G  29  -0.569  -3.453   9.245
  307    H4*    G  29           H4*        G  29  -1.422  -3.236  11.760
  308    H3*    G  29           H3*        G  29   0.394  -1.043  10.733
  309    H2*    G  29           H2*        G  29  -1.114   0.249  12.016
  310   2HO*    G  29          2HO*        G  29  -2.726  -1.500  10.877
  311    H1*    G  29           H1*        G  29  -1.468  -1.713  13.986
  312    H8     G  29           H8         G  29   2.092  -1.596  12.852
  313    H1     G  29           H1         G  29   0.656   2.837  17.343
  314   1H2     G  29          1H2         G  29  -1.385   2.893  17.628
  315   2H2     G  29          2H2         G  29  -2.537   1.890  16.776
  316   1H5*    C  30          1H5*        C  30  -2.622   1.083  11.749
  317   2H5*    C  30          2H5*        C  30  -3.462   0.934  10.204
  318    H4*    C  30           H4*        C  30  -3.884   3.111  10.425
  319    H3*    C  30           H3*        C  30  -1.094   3.075   9.413
  320    H2*    C  30           H2*        C  30  -0.710   5.350   9.907
  321   2HO*    C  30          2HO*        C  30  -3.010   6.166  10.967
  322    H1*    C  30           H1*        C  30  -1.706   5.275  12.481
  323   1H4     C  30          1H4         C  30   4.479   3.846  13.185
  324   2H4     C  30          2H4         C  30   4.117   2.169  12.841
  325    H5     C  30           H5         C  30   1.985   1.391  12.186
  326    H6     C  30           H6         C  30  -0.346   2.037  11.695
  327   1H5*    G  31          1H5*        G  31  -3.002   6.630   8.001
  328   2H5*    G  31          2H5*        G  31  -2.450   7.034   6.376
  329    H4*    G  31           H4*        G  31  -2.016   8.815   8.023
  330    H3*    G  31           H3*        G  31   0.346   7.534   6.646
  331    H2*    G  31           H2*        G  31   1.740   9.187   7.602
  332   2HO*    G  31          2HO*        G  31  -0.641  10.393   8.651
  333    H1*    G  31           H1*        G  31   0.574   9.015  10.147
  334    H8     G  31           H8         G  31   0.874   5.619   8.627
  335    H1     G  31           H1         G  31   6.333   7.686  11.420
  336   1H2     G  31          1H2         G  31   6.148   9.682  11.903
  337   2H2     G  31          2H2         G  31   4.724  10.652  11.596
  338   1H5*    A  32          1H5*        A  32   0.154  11.705   6.192
  339   2H5*    A  32          2H5*        A  32   0.705  12.322   4.635
  340    H4*    A  32           H4*        A  32   1.857  13.439   6.446
  341    H3*    A  32           H3*        A  32   3.503  11.678   4.656
  342    H2*    A  32           H2*        A  32   5.469  12.274   5.825
  343   2HO*    A  32          2HO*        A  32   3.804  14.067   7.333
  344    H1*    A  32           H1*        A  32   4.323  11.953   8.365
  345    H8     A  32           H8         A  32   3.114   9.268   6.082
  346   1H6     A  32          1H6         A  32   8.261   6.076   7.590
  347   2H6     A  32          2H6         A  32   6.717   5.974   6.772
  348    H2     A  32           H2         A  32   8.654  10.195   9.211
  349   1H5*    G  33          1H5*        G  33   5.387  15.515   5.066
  350   2H5*    G  33          2H5*        G  33   5.607  16.197   3.455
  351    H4*    G  33           H4*        G  33   7.651  16.565   4.490
  352    H3*    G  33           H3*        G  33   7.750  14.184   2.691
  353    H2*    G  33           H2*        G  33   9.984  13.697   3.297
  354   2HO*    G  33          2HO*        G  33  11.086  15.350   4.593
  355    H1*    G  33           H1*        G  33   9.540  13.968   6.045
  356    H8     G  33           H8         G  33   6.627  12.348   4.329
  357    H1     G  33           H1         G  33  11.355   8.220   5.907
  358   1H2     G  33          1H2         G  33  13.010   9.277   6.537
  359   2H2     G  33          2H2         G  33  13.103  11.022   6.625
  360   1H5*    U  34          1H5*        U  34  11.267  16.473   2.022
  361   2H5*    U  34          2H5*        U  34  11.402  16.889   0.315
  362    H4*    U  34           H4*        U  34  13.510  16.064   0.955
  363    H3*    U  34           H3*        U  34  11.923  14.099  -0.661
  364    H2*    U  34           H2*        U  34  13.689  12.531  -0.576
  365   2HO*    U  34          2HO*        U  34  15.422  14.075   0.937
  366    H1*    U  34           H1*        U  34  14.146  12.853   2.169
  367    H3     U  34           H3         U  34  12.316   8.700   1.736
  368    H5     U  34           H5         U  34   9.048  11.312   1.559
  369    H6     U  34           H6         U  34  10.656  13.162   1.478
  370   1H5*    C  35          1H5*        C  35  15.739  14.375  -2.539
  371   2H5*    C  35          2H5*        C  35  15.566  14.483  -4.290
  372    H4*    C  35           H4*        C  35  17.022  12.653  -3.736
  373    H3*    C  35           H3*        C  35  14.323  11.800  -4.799
  374    H2*    C  35           H2*        C  35  15.143   9.596  -4.930
  375   2HO*    C  35          2HO*        C  35  17.405   9.321  -5.004
  376    H1*    C  35           H1*        C  35  16.407   9.592  -2.466
  377   1H4     C  35          1H4         C  35  10.547   7.438  -1.146
  378   2H4     C  35          2H4         C  35   9.957   9.084  -1.106
  379    H5     C  35           H5         C  35  11.273  10.967  -1.653
  380    H6     C  35           H6         C  35  13.502  11.742  -2.382
  381   1H5*    C  36          1H5*        C  36  16.417   9.733  -6.860
  382   2H5*    C  36          2H5*        C  36  16.499  10.138  -8.575
  383    H4*    C  36           H4*        C  36  16.124   7.735  -8.145
  384    H3*    C  36           H3*        C  36  14.498   9.357  -9.928
  385    H2*    C  36           H2*        C  36  12.522   8.483  -9.091
  386   2HO*    C  36          2HO*        C  36  12.840   7.450 -11.089
  387    H1*    C  36           H1*        C  36  13.503   5.893  -8.087
  388   1H4     C  36          1H4         C  36   9.692   7.520  -3.273
  389   2H4     C  36          2H4         C  36  10.209   9.189  -3.371
  390    H5     C  36           H5         C  36  11.781   9.989  -4.940
  391    H6     C  36           H6         C  36  13.259   9.381  -6.822
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   3.521  -1.565  -2.111
    2   2H5*    G   1          2H5*        G   1   4.626  -2.098  -0.844
    3    H4*    G   1           H4*        G   1   5.621  -2.010  -3.126
    4    H3*    G   1           H3*        G   1   6.846  -0.372  -0.902
    5    H2*    G   1           H2*        G   1   8.581   0.226  -2.336
    6   2HO*    G   1          2HO*        G   1   8.438  -1.296  -4.437
    7    H1*    G   1           H1*        G   1   7.025   0.339  -4.698
    8    H8     G   1           H8         G   1   5.174   2.046  -1.993
    9    H1     G   1           H1         G   1   9.850   5.728  -4.536
   10   1H2     G   1          1H2         G   1  11.062   4.570  -5.737
   11   2H2     G   1          2H2         G   1  10.845   2.856  -6.012
   12   1H5*    G   2          1H5*        G   2  10.172  -3.325  -1.713
   13   2H5*    G   2          2H5*        G   2  10.696  -3.749  -0.083
   14    H4*    G   2           H4*        G   2  12.604  -2.975  -1.249
   15    H3*    G   2           H3*        G   2  11.546  -1.013   0.765
   16    H2*    G   2           H2*        G   2  13.315   0.477   0.288
   17   2HO*    G   2          2HO*        G   2  15.112  -0.380  -0.919
   18    H1*    G   2           H1*        G   2  13.100   0.172  -2.503
   19    H8     G   2           H8         G   2   9.852   0.381  -0.568
   20    H1     G   2           H1         G   2  12.162   6.087  -2.564
   21   1H2     G   2          1H2         G   2  14.045   5.825  -3.364
   22   2H2     G   2          2H2         G   2  14.874   4.289  -3.478
   23   1H5*    A   3          1H5*        A   3  15.855  -1.611   1.968
   24   2H5*    A   3          2H5*        A   3  15.777  -1.711   3.727
   25    H4*    A   3           H4*        A   3  17.354  -0.010   3.047
   26    H3*    A   3           H3*        A   3  14.871   0.924   4.457
   27    H2*    A   3           H2*        A   3  15.660   3.151   4.420
   28   2HO*    A   3          2HO*        A   3  18.045   1.851   3.461
   29    H1*    A   3           H1*        A   3  16.484   3.029   1.730
   30    H8     A   3           H8         A   3  13.201   1.316   2.367
   31   1H6     A   3          1H6         A   3  10.511   6.836   1.251
   32   2H6     A   3          2H6         A   3  10.199   5.137   1.519
   33    H2     A   3           H2         A   3  14.909   7.445   1.438
   34   1H5*    C   4          1H5*        C   4  18.082   2.561   6.203
   35   2H5*    C   4          2H5*        C   4  18.275   2.307   7.938
   36    H4*    C   4           H4*        C   4  18.568   4.597   7.669
   37    H3*    C   4           H3*        C   4  15.774   3.997   8.592
   38    H2*    C   4           H2*        C   4  15.274   6.306   8.662
   39   2HO*    C   4          2HO*        C   4  17.637   6.472   9.414
   40    H1*    C   4           H1*        C   4  16.444   6.849   6.165
   41   1H4     C   4          1H4         C   4  10.236   6.126   4.868
   42   2H4     C   4          2H4         C   4  10.441   4.389   4.896
   43    H5     C   4           H5         C   4  12.455   3.310   5.493
   44    H6     C   4           H6         C   4  14.795   3.637   6.214
   45   1H5*    U   5          1H5*        U   5  17.433   6.913  10.840
   46   2H5*    U   5          2H5*        U   5  17.347   6.751  12.594
   47    H4*    U   5           H4*        U   5  16.571   8.920  12.062
   48    H3*    U   5           H3*        U   5  14.355   7.031  12.820
   49    H2*    U   5           H2*        U   5  12.797   8.802  12.683
   50   2HO*    U   5          2HO*        U   5  15.117  10.451  12.250
   51    H1*    U   5           H1*        U   5  13.789   9.791  10.257
   52    H3     U   5           H3         U   5   9.724   7.984   9.258
   53    H5     U   5           H5         U   5  12.322   4.704   9.427
   54    H6     U   5           H6         U   5  14.035   6.231  10.292
   55   1H5*    C   6          1H5*        C   6  14.196  10.436  15.052
   56   2H5*    C   6          2H5*        C   6  14.033  10.251  16.799
   57    H4*    C   6           H4*        C   6  12.356  11.760  16.201
   58    H3*    C   6           H3*        C   6  11.242   8.999  16.595
   59    H2*    C   6           H2*        C   6   9.057   9.793  16.169
   60   2HO*    C   6          2HO*        C   6   8.963  11.749  17.137
   61    H1*    C   6           H1*        C   6   9.793  11.295  13.923
   62   1H4     C   6          1H4         C   6   7.857   5.763  11.417
   63   2H4     C   6          2H4         C   6   9.354   5.007  11.913
   64    H5     C   6           H5         C   6  11.014   6.094  13.195
   65    H6     C   6           H6         C   6  11.653   8.193  14.327
   66   1H5*    G   7          1H5*        G   7   9.066  11.954  18.739
   67   2H5*    G   7          2H5*        G   7   8.944  11.542  20.450
   68    H4*    G   7           H4*        G   7   6.800  12.240  19.865
   69    H3*    G   7           H3*        G   7   7.020   9.271  20.033
   70    H2*    G   7           H2*        G   7   4.790   8.954  19.317
   71   2HO*    G   7          2HO*        G   7   4.593  11.234  20.537
   72    H1*    G   7           H1*        G   7   4.992  10.784  17.191
   73    H8     G   7           H8         G   7   8.091   8.713  17.553
   74    H1     G   7           H1         G   7   3.423   5.836  14.117
   75   1H2     G   7          1H2         G   7   1.679   6.926  14.275
   76   2H2     G   7          2H2         G   7   1.508   8.401  15.201
   77   1H5*    G   8          1H5*        G   8   2.789   9.448  20.413
   78   2H5*    G   8          2H5*        G   8   2.844   9.719  22.155
   79    H4*    G   8           H4*        G   8   1.138   8.120  21.713
   80    H3*    G   8           H3*        G   8   3.586   7.059  23.060
   81    H2*    G   8           H2*        G   8   2.729   4.856  23.079
   82   2HO*    G   8          2HO*        G   8   0.602   5.617  23.595
   83    H1*    G   8           H1*        G   8   1.894   4.908  20.409
   84    H8     G   8           H8         G   8   5.145   6.706  20.781
   85    H1     G   8           H1         G   8   5.788   0.285  20.301
   86   1H2     G   8          1H2         G   8   3.935  -0.606  20.452
   87   2H2     G   8          2H2         G   8   2.429   0.259  20.676
   88   1H5*    C   9          1H5*        C   9   0.554   5.119  24.801
   89   2H5*    C   9          2H5*        C   9   0.870   4.703  26.484
   90    H4*    C   9           H4*        C   9   0.747   2.756  24.938
   91    H3*    C   9           H3*        C   9   3.410   3.149  26.353
   92    H2*    C   9           H2*        C   9   3.762   0.860  25.880
   93   2HO*    C   9          2HO*        C   9   1.053   1.046  26.065
   94    H1*    C   9           H1*        C   9   2.722   0.995  23.286
   95   1H4     C   9          1H4         C   9   9.015   1.753  22.510
   96   2H4     C   9          2H4         C   9   8.846   3.451  22.899
   97    H5     C   9           H5         C   9   6.824   4.444  23.608
   98    H6     C   9           H6         C   9   4.442   4.049  24.122
   99   1H5*    U  10          1H5*        U  10   1.643  -0.199  27.674
  100   2H5*    U  10          2H5*        U  10   1.563  -0.372  29.427
  101    H4*    U  10           H4*        U  10   2.373  -2.421  28.607
  102    H3*    U  10           H3*        U  10   4.521  -0.729  29.844
  103    H2*    U  10           H2*        U  10   6.136  -2.406  29.436
  104   2HO*    U  10          2HO*        U  10   4.639  -4.077  30.026
  105    H1*    U  10           H1*        U  10   5.329  -2.871  26.798
  106    H3     U  10           H3         U  10   9.346  -0.780  26.393
  107    H5     U  10           H5         U  10   6.655   2.312  27.249
  108    H6     U  10           H6         U  10   4.958   0.590  27.654
  109   1H5*    U  11          1H5*        U  11   4.856  -4.584  31.152
  110   2H5*    U  11          2H5*        U  11   4.967  -4.757  32.904
  111    H4*    U  11           H4*        U  11   6.748  -6.005  31.989
  112    H3*    U  11           H3*        U  11   7.641  -3.404  33.200
  113    H2*    U  11           H2*        U  11   9.896  -3.943  32.741
  114   2HO*    U  11          2HO*        U  11   9.346  -6.418  31.580
  115    H1*    U  11           H1*        U  11   9.408  -4.800  30.125
  116    H3     U  11           H3         U  11  11.588  -0.872  29.517
  117    H5     U  11           H5         U  11   7.731   0.286  30.667
  118    H6     U  11           H6         U  11   7.260  -2.079  31.108
  119   1H5*    G  12          1H5*        G  12   9.984  -6.350  34.527
  120   2H5*    G  12          2H5*        G  12  10.392  -6.375  36.242
  121    H4*    G  12           H4*        G  12  12.425  -6.361  35.007
  122    H3*    G  12           H3*        G  12  11.852  -3.655  36.242
  123    H2*    G  12           H2*        G  12  14.020  -3.014  35.640
  124   2HO*    G  12          2HO*        G  12  14.300  -5.864  35.402
  125    H1*    G  12           H1*        G  12  14.092  -4.286  33.166
  126    H8     G  12           H8         G  12  10.755  -2.761  34.117
  127    H1     G  12           H1         G  12  14.720   1.214  30.898
  128   1H2     G  12          1H2         G  12  16.565   0.320  30.681
  129   2H2     G  12          2H2         G  12  16.977  -1.270  31.282
  130   1H5*    C  13          1H5*        C  13  15.434  -5.125  37.666
  131   2H5*    C  13          2H5*        C  13  15.684  -4.884  39.395
  132    H4*    C  13           H4*        C  13  17.585  -3.992  38.344
  133    H3*    C  13           H3*        C  13  15.680  -1.875  39.283
  134    H2*    C  13           H2*        C  13  17.118  -0.168  38.503
  135   2HO*    C  13          2HO*        C  13  19.284  -0.780  37.973
  136    H1*    C  13           H1*        C  13  17.591  -1.399  36.025
  137   1H4     C  13          1H4         C  13  12.857   2.661  34.723
  138   2H4     C  13          2H4         C  13  11.726   1.632  35.573
  139    H5     C  13           H5         C  13  12.348  -0.323  36.742
  140    H6     C  13           H6         C  13  14.227  -1.787  37.390
  141   1H5*    U  14          1H5*        U  14  19.177  -0.674  40.313
  142   2H5*    U  14          2H5*        U  14  19.456  -0.100  41.957
  143    H4*    U  14           H4*        U  14  20.042   1.630  40.400
  144    H3*    U  14           H3*        U  14  17.534   2.185  41.989
  145    H2*    U  14           H2*        U  14  17.525   4.379  41.113
  146   2HO*    U  14          2HO*        U  14  20.167   3.597  40.841
  147    H1*    U  14           H1*        U  14  18.075   3.591  38.488
  148    H3     U  14           H3         U  14  13.737   4.878  38.260
  149    H5     U  14           H5         U  14  13.580   1.157  40.175
  150    H6     U  14           H6         U  14  16.030   1.206  40.255
  151   1H5*    G  15          1H5*        G  15  20.726   5.336  43.078
  152   2H5*    G  15          2H5*        G  15  20.502   5.544  44.814
  153    H4*    G  15           H4*        G  15  20.540   7.707  43.861
  154    H3*    G  15           H3*        G  15  17.844   6.792  44.763
  155    H2*    G  15           H2*        G  15  16.812   8.779  44.007
  156   2HO*    G  15          2HO*        G  15  18.103  10.562  43.877
  157    H1*    G  15           H1*        G  15  18.099   8.767  41.518
  158    H8     G  15           H8         G  15  17.048   5.356  42.741
  159    H1     G  15           H1         G  15  12.486   8.510  39.405
  160   1H2     G  15          1H2         G  15  13.102  10.447  39.057
  161   2H2     G  15          2H2         G  15  14.628  11.117  39.590
  162   1H5*    G  16          1H5*        G  16  18.011  10.534  46.873
  163   2H5*    G  16          2H5*        G  16  17.291  10.276  48.462
  164    H4*    G  16           H4*        G  16  15.988  11.875  47.213
  165    H3*    G  16           H3*        G  16  14.693   9.230  47.787
  166    H2*    G  16           H2*        G  16  12.693   9.939  46.744
  167   2HO*    G  16          2HO*        G  16  12.690  12.036  47.561
  168    H1*    G  16           H1*        G  16  13.975  11.017  44.502
  169    H8     G  16           H8         G  16  15.593   7.838  45.673
  170    H1     G  16           H1         G  16  10.554   6.916  41.717
  171   1H2     G  16          1H2         G  16   9.581   8.709  41.412
  172   2H2     G  16          2H2         G  16  10.059  10.234  42.123
  173   1H5*    A  17          1H5*        A  17  12.494   7.807  49.728
  174   2H5*    A  17          2H5*        A  17  11.912   8.226  48.115
  175    H4*    A  17           H4*        A  17  10.266   7.194  49.799
  176    H3*    A  17           H3*        A  17   9.698   9.590  48.074
  177    H2*    A  17           H2*        A  17   7.487   9.676  48.904
  178   2HO*    A  17          2HO*        A  17   8.227   7.197  50.174
  179    H1*    A  17           H1*        A  17   8.241   9.316  51.582
  180    H8     A  17           H8         A  17  10.827  11.560  50.465
  181   1H6     A  17          1H6         A  17   6.730  16.266  50.611
  182   2H6     A  17          2H6         A  17   8.430  15.869  50.497
  183    H2     A  17           H2         A  17   4.475  12.449  50.911
  184   1H5*    G  18          1H5*        G  18   7.164   8.525  47.464
  185   2H5*    G  18          2H5*        G  18   6.230   8.267  45.990
  186    H4*    G  18           H4*        G  18   5.561  10.305  47.173
  187    H3*    G  18           H3*        G  18   6.453  10.333  44.376
  188    H2*    G  18           H2*        G  18   7.485  12.364  44.570
  189   2HO*    G  18          2HO*        G  18   5.629  13.985  45.187
  190    H1*    G  18           H1*        G  18   6.502  13.308  47.138
  191    H8     G  18           H8         G  18   9.133  10.626  46.362
  192    H1     G  18           H1         G  18  11.449  16.254  48.565
  193   1H2     G  18          1H2         G  18   9.895  17.586  48.818
  194   2H2     G  18          2H2         G  18   8.215  17.230  48.484
  195   1H5*    A  19          1H5*        A  19   2.244  13.084  41.876
  196   2H5*    A  19          2H5*        A  19   3.130  11.670  41.305
  197    H4*    A  19           H4*        A  19   3.742  14.310  40.787
  198    H3*    A  19           H3*        A  19   5.411  11.796  40.559
  199    H2*    A  19           H2*        A  19   7.136  13.132  39.649
  200   2HO*    A  19          2HO*        A  19   5.173  14.311  38.611
  201    H1*    A  19           H1*        A  19   6.770  15.206  41.535
  202    H8     A  19           H8         A  19   7.397  11.452  41.353
  203   1H6     A  19          1H6         A  19  12.001  12.482  45.438
  204   2H6     A  19          2H6         A  19  11.241  11.265  44.435
  205    H2     A  19           H2         A  19   9.799  16.294  44.835
  206   1H5*    C  20          1H5*        C  20   5.096  13.298  36.901
  207   2H5*    C  20          2H5*        C  20   5.380  12.356  35.437
  208    H4*    C  20           H4*        C  20   7.257  13.878  36.279
  209    H3*    C  20           H3*        C  20   7.674  10.988  35.517
  210    H2*    C  20           H2*        C  20  10.004  11.300  35.771
  211   2HO*    C  20          2HO*        C  20   9.713  14.027  36.417
  212    H1*    C  20           H1*        C  20   9.786  12.695  38.187
  213   1H4     C  20          1H4         C  20  10.796   6.574  39.778
  214   2H4     C  20          2H4         C  20   9.063   6.344  39.826
  215    H5     C  20           H5         C  20   7.499   7.983  39.159
  216    H6     C  20           H6         C  20   7.210  10.270  38.273
  217   1H5*    G  21          1H5*        G  21   9.959  13.773  33.471
  218   2H5*    G  21          2H5*        G  21  10.570  13.423  31.855
  219    H4*    G  21           H4*        G  21  12.398  13.908  33.361
  220    H3*    G  21           H3*        G  21  12.222  11.078  32.347
  221    H2*    G  21           H2*        G  21  14.264  10.573  33.412
  222   2HO*    G  21          2HO*        G  21  15.612  12.326  33.984
  223    H1*    G  21           H1*        G  21  13.602  11.954  35.787
  224    H8     G  21           H8         G  21  10.683   9.997  34.564
  225    H1     G  21           H1         G  21  14.932   6.433  37.898
  226   1H2     G  21          1H2         G  21  16.657   7.522  38.203
  227   2H2     G  21          2H2         G  21  16.913   9.158  37.638
  228   1H5*    G  22          1H5*        G  22  16.069  12.172  31.800
  229   2H5*    G  22          2H5*        G  22  16.519  12.100  30.097
  230    H4*    G  22           H4*        G  22  18.231  10.982  31.243
  231    H3*    G  22           H3*        G  22  16.335   9.085  29.901
  232    H2*    G  22           H2*        G  22  17.594   7.230  30.649
  233   2HO*    G  22          2HO*        G  22  19.487   8.871  31.945
  234    H1*    G  22           H1*        G  22  17.860   8.197  33.273
  235    H8     G  22           H8         G  22  14.436   8.888  31.959
  236    H1     G  22           H1         G  22  15.145   2.889  34.278
  237   1H2     G  22          1H2         G  22  17.141   2.523  34.642
  238   2H2     G  22          2H2         G  22  18.431   3.671  34.362
  239   1H5*    C  23          1H5*        C  23  20.163   7.822  28.910
  240   2H5*    C  23          2H5*        C  23  20.360   7.633  27.169
  241    H4*    C  23           H4*        C  23  21.098   5.618  28.134
  242    H3*    C  23           H3*        C  23  18.372   5.366  26.893
  243    H2*    C  23           H2*        C  23  18.334   3.059  27.405
  244   2HO*    C  23          2HO*        C  23  20.799   2.896  28.621
  245    H1*    C  23           H1*        C  23  19.292   3.417  30.027
  246   1H4     C  23          1H4         C  23  12.970   3.058  30.775
  247   2H4     C  23          2H4         C  23  12.803   4.693  30.177
  248    H5     C  23           H5         C  23  14.600   5.981  29.347
  249    H6     C  23           H6         C  23  17.024   6.016  28.880
  250   1H5*    A  24          1H5*        A  24  21.031   2.316  25.754
  251   2H5*    A  24          2H5*        A  24  20.886   1.802  24.074
  252    H4*    A  24           H4*        A  24  20.705  -0.126  25.465
  253    H3*    A  24           H3*        A  24  18.114   0.721  24.187
  254    H2*    A  24           H2*        A  24  17.061  -1.205  25.064
  255   2HO*    A  24          2HO*        A  24  19.359  -2.195  26.308
  256    H1*    A  24           H1*        A  24  18.181  -0.927  27.620
  257    H8     A  24           H8         A  24  17.212   2.377  26.126
  258   1H6     A  24          1H6         A  24  11.570   1.463  28.633
  259   2H6     A  24          2H6         A  24  12.585   2.627  27.812
  260    H2     A  24           H2         A  24  13.925  -2.275  29.111
  261   1H5*    A  25          1H5*        A  25  19.019  -3.382  23.657
  262   2H5*    A  25          2H5*        A  25  18.833  -3.883  21.977
  263    H4*    A  25           H4*        A  25  17.738  -5.523  23.245
  264    H3*    A  25           H3*        A  25  15.888  -3.649  21.856
  265    H2*    A  25           H2*        A  25  13.967  -4.605  22.846
  266   2HO*    A  25          2HO*        A  25  15.786  -6.615  22.966
  267    H1*    A  25           H1*        A  25  15.049  -4.639  25.435
  268    H8     A  25           H8         A  25  16.018  -1.506  23.650
  269   1H6     A  25          1H6         A  25  10.620   0.922  25.626
  270   2H6     A  25          2H6         A  25  12.142   1.296  24.849
  271    H2     A  25           H2         A  25  10.602  -3.427  26.534
  272   1H5*    G  26          1H5*        G  26  14.190  -7.300  21.647
  273   2H5*    G  26          2H5*        G  26  14.012  -7.896  19.997
  274    H4*    G  26           H4*        G  26  11.946  -8.282  21.043
  275    H3*    G  26           H3*        G  26  11.877  -5.911  19.203
  276    H2*    G  26           H2*        G  26   9.606  -5.540  19.685
  277   2HO*    G  26          2HO*        G  26   9.559  -7.918  21.260
  278    H1*    G  26           H1*        G  26   9.839  -5.978  22.447
  279    H8     G  26           H8         G  26  12.727  -4.065  20.970
  280    H1     G  26           H1         G  26   7.715  -0.360  22.716
  281   1H2     G  26          1H2         G  26   6.115  -1.559  23.220
  282   2H2     G  26          2H2         G  26   6.129  -3.308  23.177
  283   1H5*    A  27          1H5*        A  27   9.846  -9.438  17.390
  284   2H5*    A  27          2H5*        A  27   9.392  -9.369  15.688
  285    H4*    A  27           H4*        A  27   7.472  -8.991  17.130
  286    H3*    A  27           H3*        A  27   8.328  -6.541  15.555
  287    H2*    A  27           H2*        A  27   6.200  -5.650  16.076
  288   2HO*    A  27          2HO*        A  27   5.298  -7.931  17.412
  289    H1*    A  27           H1*        A  27   6.253  -6.513  18.745
  290    H8     A  27           H8         A  27   9.528  -5.215  17.362
  291   1H6     A  27          1H6         A  27   7.801   0.348  19.603
  292   2H6     A  27          2H6         A  27   9.115  -0.534  18.856
  293    H2     A  27           H2         A  27   4.395  -2.464  20.086
  294   1H5*    G  28          1H5*        G  28   5.095  -8.214  12.671
  295   2H5*    G  28          2H5*        G  28   4.864  -6.913  11.502
  296    H4*    G  28           H4*        G  28   3.235  -7.237  13.541
  297    H3*    G  28           H3*        G  28   4.221  -4.575  12.486
  298    H2*    G  28           H2*        G  28   2.610  -3.548  13.876
  299   2HO*    G  28          2HO*        G  28   1.408  -5.712  14.968
  300    H1*    G  28           H1*        G  28   3.145  -5.194  16.085
  301    H8     G  28           H8         G  28   6.302  -4.277  14.306
  302    H1     G  28           H1         G  28   4.269   0.243  18.468
  303   1H2     G  28          1H2         G  28   2.368  -0.223  19.116
  304   2H2     G  28          2H2         G  28   1.459  -1.630  18.608
  305   1H5*    G  29          1H5*        G  29   0.346  -3.754   8.501
  306   2H5*    G  29          2H5*        G  29   1.975  -3.143   8.790
  307    H4*    G  29           H4*        G  29  -0.283  -3.440  10.771
  308    H3*    G  29           H3*        G  29   1.399  -0.972  10.289
  309    H2*    G  29           H2*        G  29  -0.347  -0.032  11.574
  310   2HO*    G  29          2HO*        G  29  -2.339  -1.480  11.682
  311    H1*    G  29           H1*        G  29  -0.699  -2.294  13.180
  312    H8     G  29           H8         G  29   2.902  -1.578  12.319
  313    H1     G  29           H1         G  29   0.766   1.502  17.595
  314   1H2     G  29          1H2         G  29  -1.272   1.241  17.767
  315   2H2     G  29          2H2         G  29  -2.257   0.324  16.648
  316   1H5*    C  30          1H5*        C  30  -1.918   0.673  11.264
  317   2H5*    C  30          2H5*        C  30  -2.579   0.719   9.630
  318    H4*    C  30           H4*        C  30  -3.264   2.773  10.177
  319    H3*    C  30           H3*        C  30  -0.419   3.170   9.429
  320    H2*    C  30           H2*        C  30  -0.318   5.353  10.315
  321   2HO*    C  30          2HO*        C  30  -2.561   6.084  11.177
  322    H1*    C  30           H1*        C  30  -1.493   4.752  12.743
  323   1H4     C  30          1H4         C  30   4.748   3.828  13.755
  324   2H4     C  30          2H4         C  30   4.585   2.193  13.153
  325    H5     C  30           H5         C  30   2.597   1.327  12.217
  326    H6     C  30           H6         C  30   0.252   1.821  11.622
  327   1H5*    G  31          1H5*        G  31  -2.446   6.421   8.057
  328   2H5*    G  31          2H5*        G  31  -2.092   6.978   6.422
  329    H4*    G  31           H4*        G  31  -1.677   8.750   7.999
  330    H3*    G  31           H3*        G  31   0.781   7.596   6.686
  331    H2*    G  31           H2*        G  31   2.074   9.304   7.683
  332   2HO*    G  31          2HO*        G  31  -0.351  10.408   8.725
  333    H1*    G  31           H1*        G  31   0.862   9.060  10.200
  334    H8     G  31           H8         G  31   1.352   5.697   8.656
  335    H1     G  31           H1         G  31   6.641   7.977  11.607
  336   1H2     G  31          1H2         G  31   6.352   9.957  12.105
  337   2H2     G  31          2H2         G  31   4.894  10.864  11.773
  338   1H5*    A  32          1H5*        A  32   0.377  11.736   6.297
  339   2H5*    A  32          2H5*        A  32   0.754  12.387   4.703
  340    H4*    A  32           H4*        A  32   1.933  13.697   6.278
  341    H3*    A  32           H3*        A  32   3.648  11.829   4.694
  342    H2*    A  32           H2*        A  32   5.599  12.525   5.833
  343   2HO*    A  32          2HO*        A  32   4.034  14.673   6.011
  344    H1*    A  32           H1*        A  32   4.436  12.373   8.379
  345    H8     A  32           H8         A  32   3.280   9.541   6.234
  346   1H6     A  32          1H6         A  32   8.386   6.468   8.086
  347   2H6     A  32          2H6         A  32   6.870   6.310   7.228
  348    H2     A  32           H2         A  32   8.720  10.677   9.469
  349   1H5*    G  33          1H5*        G  33   5.533  15.494   5.003
  350   2H5*    G  33          2H5*        G  33   5.700  16.250   3.417
  351    H4*    G  33           H4*        G  33   7.765  16.619   4.381
  352    H3*    G  33           H3*        G  33   7.851  14.276   2.545
  353    H2*    G  33           H2*        G  33  10.083  13.748   3.121
  354   2HO*    G  33          2HO*        G  33  11.305  15.358   4.151
  355    H1*    G  33           H1*        G  33   9.622  14.024   5.896
  356    H8     G  33           H8         G  33   6.846  12.237   4.119
  357    H1     G  33           H1         G  33  11.748   8.383   5.848
  358   1H2     G  33          1H2         G  33  13.327   9.532   6.511
  359   2H2     G  33          2H2         G  33  13.323  11.280   6.588
  360   1H5*    U  34          1H5*        U  34  11.274  16.225   2.072
  361   2H5*    U  34          2H5*        U  34  11.636  16.803   0.446
  362    H4*    U  34           H4*        U  34  13.560  15.666   1.128
  363    H3*    U  34           H3*        U  34  11.894  13.940  -0.697
  364    H2*    U  34           H2*        U  34  13.596  12.301  -0.669
  365   2HO*    U  34          2HO*        U  34  14.937  14.610  -0.052
  366    H1*    U  34           H1*        U  34  13.999  12.449   2.105
  367    H3     U  34           H3         U  34  12.075   8.379   1.533
  368    H5     U  34           H5         U  34   8.893  11.072   1.132
  369    H6     U  34           H6         U  34  10.546  12.882   1.200
  370   1H5*    C  35          1H5*        C  35  15.541  14.031  -2.348
  371   2H5*    C  35          2H5*        C  35  15.619  14.606  -4.012
  372    H4*    C  35           H4*        C  35  16.762  12.603  -4.109
  373    H3*    C  35           H3*        C  35  13.910  12.135  -4.945
  374    H2*    C  35           H2*        C  35  14.413   9.871  -5.400
  375   2HO*    C  35          2HO*        C  35  17.121  10.681  -4.844
  376    H1*    C  35           H1*        C  35  15.868   9.493  -3.027
  377   1H4     C  35          1H4         C  35  10.064   7.362  -1.490
  378   2H4     C  35          2H4         C  35   9.456   9.002  -1.462
  379    H5     C  35           H5         C  35  10.742  10.894  -2.050
  380    H6     C  35           H6         C  35  12.952  11.684  -2.819
  381   1H5*    C  36          1H5*        C  36  16.180  10.724  -8.275
  382   2H5*    C  36          2H5*        C  36  15.442  11.266  -9.782
  383    H4*    C  36           H4*        C  36  15.576   8.898  -9.864
  384    H3*    C  36           H3*        C  36  12.789   9.935  -9.419
  385    H2*    C  36           H2*        C  36  11.943   7.731  -9.532
  386   2HO*    C  36          2HO*        C  36  14.540   6.704 -10.035
  387    H1*    C  36           H1*        C  36  13.969   6.662  -7.885
  388   1H4     C  36          1H4         C  36   9.158   7.534  -3.806
  389   2H4     C  36          2H4         C  36   9.356   9.269  -3.918
  390    H5     C  36           H5         C  36  10.898  10.327  -5.359
  391    H6     C  36           H6         C  36  12.648   9.978  -7.065
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   3.303  -1.136  -2.030
    2   2H5*    G   1          2H5*        G   1   4.273  -2.146  -0.958
    3    H4*    G   1           H4*        G   1   5.347  -1.990  -3.101
    4    H3*    G   1           H3*        G   1   6.750  -0.556  -0.854
    5    H2*    G   1           H2*        G   1   8.493   0.029  -2.293
    6   2HO*    G   1          2HO*        G   1   7.454  -1.638  -4.346
    7    H1*    G   1           H1*        G   1   6.819   0.450  -4.561
    8    H8     G   1           H8         G   1   5.277   2.204  -1.736
    9    H1     G   1           H1         G   1  10.360   5.419  -4.125
   10   1H2     G   1          1H2         G   1  11.416   4.189  -5.400
   11   2H2     G   1          2H2         G   1  10.987   2.533  -5.767
   12   1H5*    G   2          1H5*        G   2   9.845  -3.428  -2.281
   13   2H5*    G   2          2H5*        G   2  10.455  -4.146  -0.790
   14    H4*    G   2           H4*        G   2  12.332  -3.327  -1.966
   15    H3*    G   2           H3*        G   2  11.571  -1.565   0.355
   16    H2*    G   2           H2*        G   2  13.485  -0.239  -0.038
   17   2HO*    G   2          2HO*        G   2  14.899  -1.234  -1.867
   18    H1*    G   2           H1*        G   2  13.133  -0.131  -2.815
   19    H8     G   2           H8         G   2   9.989   0.066  -0.703
   20    H1     G   2           H1         G   2  12.687   5.788  -2.074
   21   1H2     G   2          1H2         G   2  14.502   5.488  -3.005
   22   2H2     G   2          2H2         G   2  15.190   3.920  -3.362
   23   1H5*    A   3          1H5*        A   3  15.607  -2.341   1.522
   24   2H5*    A   3          2H5*        A   3  15.580  -2.414   3.283
   25    H4*    A   3           H4*        A   3  16.903  -0.527   2.356
   26    H3*    A   3           H3*        A   3  14.520   0.211   4.087
   27    H2*    A   3           H2*        A   3  15.534   2.336   4.284
   28   2HO*    A   3          2HO*        A   3  17.731   0.826   3.224
   29    H1*    A   3           H1*        A   3  16.263   2.497   1.587
   30    H8     A   3           H8         A   3  12.898   0.897   2.119
   31   1H6     A   3          1H6         A   3  10.511   6.651   1.739
   32   2H6     A   3          2H6         A   3  10.107   4.952   1.820
   33    H2     A   3           H2         A   3  14.941   6.988   1.842
   34   1H5*    C   4          1H5*        C   4  17.962   1.373   6.528
   35   2H5*    C   4          2H5*        C   4  17.452   1.194   8.206
   36    H4*    C   4           H4*        C   4  18.149   3.496   7.588
   37    H3*    C   4           H3*        C   4  15.322   3.063   8.575
   38    H2*    C   4           H2*        C   4  15.123   5.410   8.762
   39   2HO*    C   4          2HO*        C   4  17.066   5.994   9.610
   40    H1*    C   4           H1*        C   4  16.338   5.938   6.295
   41   1H4     C   4          1H4         C   4  10.055   5.904   5.101
   42   2H4     C   4          2H4         C   4  10.141   4.175   4.849
   43    H5     C   4           H5         C   4  12.081   2.884   5.230
   44    H6     C   4           H6         C   4  14.441   2.934   5.956
   45   1H5*    U   5          1H5*        U   5  17.290   5.898  10.904
   46   2H5*    U   5          2H5*        U   5  16.826   5.838  12.604
   47    H4*    U   5           H4*        U   5  16.470   8.049  11.573
   48    H3*    U   5           H3*        U   5  14.086   6.563  12.672
   49    H2*    U   5           H2*        U   5  12.752   8.466  12.278
   50   2HO*    U   5          2HO*        U   5  15.361   9.528  12.267
   51    H1*    U   5           H1*        U   5  13.838   9.001   9.744
   52    H3     U   5           H3         U   5   9.496   7.652   9.143
   53    H5     U   5           H5         U   5  11.724   4.115   9.402
   54    H6     U   5           H6         U   5  13.642   5.488  10.073
   55   1H5*    C   6          1H5*        C   6  14.123  10.431  14.696
   56   2H5*    C   6          2H5*        C   6  13.847  10.092  16.404
   57    H4*    C   6           H4*        C   6  12.275  11.745  15.670
   58    H3*    C   6           H3*        C   6  11.088   9.041  16.253
   59    H2*    C   6           H2*        C   6   8.925   9.926  15.900
   60   2HO*    C   6          2HO*        C   6   8.859  11.951  16.676
   61    H1*    C   6           H1*        C   6   9.633  11.313  13.567
   62   1H4     C   6          1H4         C   6   7.187   5.787  11.492
   63   2H4     C   6          2H4         C   6   8.746   5.029  11.724
   64    H5     C   6           H5         C   6  10.600   6.108  12.713
   65    H6     C   6           H6         C   6  11.421   8.202  13.732
   66   1H5*    G   7          1H5*        G   7   9.190  12.148  18.337
   67   2H5*    G   7          2H5*        G   7   9.055  11.850  20.069
   68    H4*    G   7           H4*        G   7   6.946  12.615  19.452
   69    H3*    G   7           H3*        G   7   7.012   9.648  19.771
   70    H2*    G   7           H2*        G   7   4.759   9.424  19.097
   71   2HO*    G   7          2HO*        G   7   4.308  12.130  18.655
   72    H1*    G   7           H1*        G   7   5.047  11.183  16.902
   73    H8     G   7           H8         G   7   7.947   8.842  17.255
   74    H1     G   7           H1         G   7   2.945   6.316  14.018
   75   1H2     G   7          1H2         G   7   1.314   7.568  14.184
   76   2H2     G   7          2H2         G   7   1.304   9.076  15.070
   77   1H5*    G   8          1H5*        G   8   2.787   9.911  20.388
   78   2H5*    G   8          2H5*        G   8   2.927  10.114  22.134
   79    H4*    G   8           H4*        G   8   1.264   8.458  21.691
   80    H3*    G   8           H3*        G   8   3.814   7.441  22.894
   81    H2*    G   8           H2*        G   8   2.979   5.231  22.933
   82   2HO*    G   8          2HO*        G   8   0.513   6.277  21.911
   83    H1*    G   8           H1*        G   8   1.992   5.299  20.321
   84    H8     G   8           H8         G   8   5.216   7.179  20.533
   85    H1     G   8           H1         G   8   5.985   0.786  19.889
   86   1H2     G   8          1H2         G   8   4.165  -0.155  20.128
   87   2H2     G   8          2H2         G   8   2.657   0.666  20.455
   88   1H5*    C   9          1H5*        C   9   0.585   5.206  24.725
   89   2H5*    C   9          2H5*        C   9   1.111   4.900  26.381
   90    H4*    C   9           H4*        C   9   0.753   2.861  24.972
   91    H3*    C   9           H3*        C   9   3.487   3.317  26.202
   92    H2*    C   9           H2*        C   9   3.958   1.061  25.682
   93   2HO*    C   9          2HO*        C   9   1.281   1.059  26.014
   94    H1*    C   9           H1*        C   9   2.799   1.187  23.125
   95   1H4     C   9          1H4         C   9   9.062   2.117  22.213
   96   2H4     C   9          2H4         C   9   8.813   3.830  22.467
   97    H5     C   9           H5         C   9   6.757   4.775  23.141
   98    H6     C   9           H6         C   9   4.408   4.305  23.741
   99   1H5*    U  10          1H5*        U  10   1.651  -0.024  27.634
  100   2H5*    U  10          2H5*        U  10   1.743  -0.352  29.364
  101    H4*    U  10           H4*        U  10   2.407  -2.339  28.316
  102    H3*    U  10           H3*        U  10   4.699  -0.790  29.446
  103    H2*    U  10           H2*        U  10   6.274  -2.361  28.648
  104   2HO*    U  10          2HO*        U  10   5.520  -4.417  28.162
  105    H1*    U  10           H1*        U  10   5.122  -2.526  26.086
  106    H3     U  10           H3         U  10   9.188  -0.474  25.606
  107    H5     U  10           H5         U  10   6.557   2.575  26.758
  108    H6     U  10           H6         U  10   4.883   0.835  27.183
  109   1H5*    U  11          1H5*        U  11   5.345  -4.707  30.539
  110   2H5*    U  11          2H5*        U  11   5.481  -4.907  32.285
  111    H4*    U  11           H4*        U  11   7.334  -6.017  31.347
  112    H3*    U  11           H3*        U  11   8.042  -3.388  32.603
  113    H2*    U  11           H2*        U  11  10.324  -3.693  32.070
  114   2HO*    U  11          2HO*        U  11   9.557  -6.267  31.053
  115    H1*    U  11           H1*        U  11   9.822  -4.519  29.434
  116    H3     U  11           H3         U  11  11.719  -0.448  28.846
  117    H5     U  11           H5         U  11   7.862   0.434  30.217
  118    H6     U  11           H6         U  11   7.556  -1.968  30.601
  119   1H5*    G  12          1H5*        G  12  10.572  -6.235  33.924
  120   2H5*    G  12          2H5*        G  12  11.010  -6.260  35.632
  121    H4*    G  12           H4*        G  12  12.986  -6.106  34.238
  122    H3*    G  12           H3*        G  12  12.385  -3.634  35.876
  123    H2*    G  12           H2*        G  12  14.433  -2.761  35.208
  124   2HO*    G  12          2HO*        G  12  15.650  -4.552  35.800
  125    H1*    G  12           H1*        G  12  14.494  -3.794  32.618
  126    H8     G  12           H8         G  12  11.073  -2.637  33.706
  127    H1     G  12           H1         G  12  14.739   2.003  31.080
  128   1H2     G  12          1H2         G  12  16.656   1.293  30.804
  129   2H2     G  12          2H2         G  12  17.190  -0.319  31.223
  130   1H5*    C  13          1H5*        C  13  16.162  -5.089  37.189
  131   2H5*    C  13          2H5*        C  13  16.389  -4.799  38.913
  132    H4*    C  13           H4*        C  13  18.158  -3.729  37.707
  133    H3*    C  13           H3*        C  13  16.157  -1.863  38.955
  134    H2*    C  13           H2*        C  13  17.443  -0.006  38.262
  135   2HO*    C  13          2HO*        C  13  19.289  -2.144  37.814
  136    H1*    C  13           H1*        C  13  17.878  -0.997  35.670
  137   1H4     C  13          1H4         C  13  12.861   2.857  34.916
  138   2H4     C  13          2H4         C  13  11.830   1.688  35.711
  139    H5     C  13           H5         C  13  12.617  -0.318  36.675
  140    H6     C  13           H6         C  13  14.607  -1.711  37.120
  141   1H5*    U  14          1H5*        U  14  19.756  -0.694  39.978
  142   2H5*    U  14          2H5*        U  14  20.079  -0.167  41.630
  143    H4*    U  14           H4*        U  14  20.606   1.602  40.079
  144    H3*    U  14           H3*        U  14  18.272   2.066  41.911
  145    H2*    U  14           H2*        U  14  17.981   4.244  41.042
  146   2HO*    U  14          2HO*        U  14  20.586   3.582  40.171
  147    H1*    U  14           H1*        U  14  18.245   3.438  38.362
  148    H3     U  14           H3         U  14  13.864   4.546  38.600
  149    H5     U  14           H5         U  14  14.086   0.921  40.684
  150    H6     U  14           H6         U  14  16.525   1.055  40.460
  151   1H5*    G  15          1H5*        G  15  21.224   5.515  42.740
  152   2H5*    G  15          2H5*        G  15  21.236   5.550  44.503
  153    H4*    G  15           H4*        G  15  20.845   7.762  43.827
  154    H3*    G  15           H3*        G  15  18.408   6.383  44.856
  155    H2*    G  15           H2*        G  15  17.027   8.241  44.393
  156   2HO*    G  15          2HO*        G  15  18.504  10.118  43.428
  157    H1*    G  15           H1*        G  15  18.055   8.661  41.820
  158    H8     G  15           H8         G  15  17.565   5.064  42.933
  159    H1     G  15           H1         G  15  12.503   7.661  39.846
  160   1H2     G  15          1H2         G  15  12.847   9.669  39.527
  161   2H2     G  15          2H2         G  15  14.293  10.522  40.022
  162   1H5*    G  16          1H5*        G  16  17.963  10.169  46.621
  163   2H5*    G  16          2H5*        G  16  17.577   9.915  48.323
  164    H4*    G  16           H4*        G  16  15.802  11.165  47.373
  165    H3*    G  16           H3*        G  16  15.144   8.324  48.017
  166    H2*    G  16           H2*        G  16  12.948   8.541  47.171
  167   2HO*    G  16          2HO*        G  16  12.658  10.975  46.354
  168    H1*    G  16           H1*        G  16  13.761   9.846  44.817
  169    H8     G  16           H8         G  16  16.014   7.023  45.901
  170    H1     G  16           H1         G  16  11.068   5.185  42.155
  171   1H2     G  16          1H2         G  16   9.779   6.773  41.888
  172   2H2     G  16          2H2         G  16  10.004   8.364  42.577
  173   1H5*    A  17          1H5*        A  17  13.399   6.587  49.929
  174   2H5*    A  17          2H5*        A  17  12.716   6.585  48.303
  175    H4*    A  17           H4*        A  17  11.379   5.421  50.116
  176    H3*    A  17           H3*        A  17  10.145   7.537  48.344
  177    H2*    A  17           H2*        A  17   8.035   6.952  49.234
  178   2HO*    A  17          2HO*        A  17   8.474   4.960  50.875
  179    H1*    A  17           H1*        A  17   8.949   6.820  51.886
  180    H8     A  17           H8         A  17  10.674   9.761  50.723
  181   1H6     A  17          1H6         A  17   5.333  12.968  51.086
  182   2H6     A  17          2H6         A  17   7.067  13.117  50.909
  183    H2     A  17           H2         A  17   4.379   8.639  51.396
  184   1H5*    G  18          1H5*        G  18   8.018   5.642  47.844
  185   2H5*    G  18          2H5*        G  18   7.028   5.336  46.418
  186    H4*    G  18           H4*        G  18   6.102   7.034  47.991
  187    H3*    G  18           H3*        G  18   6.449   7.466  45.093
  188    H2*    G  18           H2*        G  18   6.865   9.697  45.368
  189   2HO*    G  18          2HO*        G  18   4.623   9.759  45.068
  190    H1*    G  18           H1*        G  18   6.135  10.129  48.145
  191    H8     G  18           H8         G  18   9.236   8.353  46.762
  192    H1     G  18           H1         G  18  10.226  14.347  48.995
  193   1H2     G  18          1H2         G  18   8.427  15.174  49.570
  194   2H2     G  18          2H2         G  18   6.880  14.364  49.461
  195   1H5*    A  19          1H5*        A  19   2.435   8.377  43.000
  196   2H5*    A  19          2H5*        A  19   3.591   7.795  41.801
  197    H4*    A  19           H4*        A  19   2.806  10.342  41.962
  198    H3*    A  19           H3*        A  19   5.415   9.181  41.037
  199    H2*    A  19           H2*        A  19   6.281  11.347  40.653
  200   2HO*    A  19          2HO*        A  19   3.874  12.576  41.477
  201    H1*    A  19           H1*        A  19   5.406  12.384  43.096
  202    H8     A  19           H8         A  19   7.082   9.087  42.060
  203   1H6     A  19          1H6         A  19  11.799  10.931  45.708
  204   2H6     A  19          2H6         A  19  11.256   9.673  44.620
  205    H2     A  19           H2         A  19   8.573  13.976  45.961
  206   1H5*    C  20          1H5*        C  20   4.280  11.136  37.986
  207   2H5*    C  20          2H5*        C  20   4.738  10.751  36.327
  208    H4*    C  20           H4*        C  20   6.282  12.298  37.589
  209    H3*    C  20           H3*        C  20   7.295   9.788  36.253
  210    H2*    C  20           H2*        C  20   9.506  10.474  36.734
  211   2HO*    C  20          2HO*        C  20   8.111  12.894  37.416
  212    H1*    C  20           H1*        C  20   8.928  11.237  39.372
  213   1H4     C  20          1H4         C  20  11.213   5.287  39.840
  214   2H4     C  20          2H4         C  20   9.609   4.667  39.517
  215    H5     C  20           H5         C  20   7.765   6.026  38.939
  216    H6     C  20           H6         C  20   6.999   8.337  38.526
  217   1H5*    G  21          1H5*        G  21   9.237  13.264  34.941
  218   2H5*    G  21          2H5*        G  21   9.614  13.324  33.219
  219    H4*    G  21           H4*        G  21  11.621  13.788  34.374
  220    H3*    G  21           H3*        G  21  11.521  11.061  33.147
  221    H2*    G  21           H2*        G  21  13.677  10.538  33.958
  222   2HO*    G  21          2HO*        G  21  15.025  12.248  34.401
  223    H1*    G  21           H1*        G  21  13.152  11.615  36.531
  224    H8     G  21           H8         G  21  10.382   9.503  35.115
  225    H1     G  21           H1         G  21  14.901   6.134  38.295
  226   1H2     G  21          1H2         G  21  16.493   7.367  38.741
  227   2H2     G  21          2H2         G  21  16.588   9.061  38.317
  228   1H5*    G  22          1H5*        G  22  15.326  12.693  32.100
  229   2H5*    G  22          2H5*        G  22  15.556  12.521  30.360
  230    H4*    G  22           H4*        G  22  17.470  11.631  31.493
  231    H3*    G  22           H3*        G  22  15.713   9.636  30.109
  232    H2*    G  22           H2*        G  22  17.138   7.860  30.745
  233   2HO*    G  22          2HO*        G  22  19.169   8.639  30.592
  234    H1*    G  22           H1*        G  22  17.385   8.731  33.406
  235    H8     G  22           H8         G  22  13.890   9.157  32.139
  236    H1     G  22           H1         G  22  15.154   3.196  34.318
  237   1H2     G  22          1H2         G  22  17.177   3.004  34.666
  238   2H2     G  22          2H2         G  22  18.356   4.270  34.406
  239   1H5*    C  23          1H5*        C  23  19.745   8.943  28.386
  240   2H5*    C  23          2H5*        C  23  19.508   8.494  26.696
  241    H4*    C  23           H4*        C  23  20.706   6.767  27.942
  242    H3*    C  23           H3*        C  23  18.012   6.093  26.793
  243    H2*    C  23           H2*        C  23  18.232   3.859  27.530
  244   2HO*    C  23          2HO*        C  23  20.904   4.785  28.049
  245    H1*    C  23           H1*        C  23  19.167   4.573  30.084
  246   1H4     C  23          1H4         C  23  12.928   3.632  30.998
  247   2H4     C  23          2H4         C  23  12.579   5.163  30.229
  248    H5     C  23           H5         C  23  14.219   6.536  29.226
  249    H6     C  23           H6         C  23  16.621   6.780  28.711
  250   1H5*    A  24          1H5*        A  24  21.096   3.149  25.180
  251   2H5*    A  24          2H5*        A  24  20.576   2.787  23.535
  252    H4*    A  24           H4*        A  24  20.927   0.763  24.869
  253    H3*    A  24           H3*        A  24  18.229   1.355  23.730
  254    H2*    A  24           H2*        A  24  17.298  -0.594  24.689
  255   2HO*    A  24          2HO*        A  24  19.406  -1.641  25.991
  256    H1*    A  24           H1*        A  24  18.462  -0.169  27.209
  257    H8     A  24           H8         A  24  17.275   3.053  25.740
  258   1H6     A  24          1H6         A  24  11.697   1.773  28.229
  259   2H6     A  24          2H6         A  24  12.642   3.008  27.428
  260    H2     A  24           H2         A  24  14.265  -1.828  28.648
  261   1H5*    A  25          1H5*        A  25  19.209  -2.926  22.831
  262   2H5*    A  25          2H5*        A  25  18.703  -3.172  21.160
  263    H4*    A  25           H4*        A  25  17.772  -4.860  22.665
  264    H3*    A  25           H3*        A  25  15.918  -3.039  21.176
  265    H2*    A  25           H2*        A  25  14.025  -4.091  22.121
  266   2HO*    A  25          2HO*        A  25  15.831  -6.043  22.143
  267    H1*    A  25           H1*        A  25  15.037  -4.090  24.731
  268    H8     A  25           H8         A  25  15.958  -0.926  22.971
  269   1H6     A  25          1H6         A  25  10.443   1.338  24.820
  270   2H6     A  25          2H6         A  25  11.972   1.758  24.078
  271    H2     A  25           H2         A  25  10.538  -3.011  25.730
  272   1H5*    G  26          1H5*        G  26  14.316  -6.861  20.846
  273   2H5*    G  26          2H5*        G  26  14.196  -7.308  19.145
  274    H4*    G  26           H4*        G  26  12.110  -7.832  20.066
  275    H3*    G  26           H3*        G  26  12.050  -5.286  18.491
  276    H2*    G  26           H2*        G  26   9.753  -4.980  18.953
  277   2HO*    G  26          2HO*        G  26   9.868  -7.518  20.294
  278    H1*    G  26           H1*        G  26   9.998  -5.570  21.686
  279    H8     G  26           H8         G  26  12.801  -3.526  20.171
  280    H1     G  26           H1         G  26   7.892  -0.026  22.523
  281   1H2     G  26          1H2         G  26   6.348  -1.281  23.066
  282   2H2     G  26          2H2         G  26   6.380  -3.023  22.908
  283   1H5*    A  27          1H5*        A  27   9.860  -8.578  16.046
  284   2H5*    A  27          2H5*        A  27   9.440  -8.014  14.429
  285    H4*    A  27           H4*        A  27   7.491  -8.385  15.925
  286    H3*    A  27           H3*        A  27   7.976  -5.691  14.679
  287    H2*    A  27           H2*        A  27   5.951  -4.890  15.598
  288   2HO*    A  27          2HO*        A  27   4.846  -6.859  15.124
  289    H1*    A  27           H1*        A  27   6.412  -5.994  18.137
  290    H8     A  27           H8         A  27   9.553  -4.601  16.648
  291   1H6     A  27          1H6         A  27   7.918   0.876  19.155
  292   2H6     A  27          2H6         A  27   9.207   0.019  18.339
  293    H2     A  27           H2         A  27   4.508  -1.936  19.612
  294   1H5*    G  28          1H5*        G  28   4.232  -7.411  12.400
  295   2H5*    G  28          2H5*        G  28   3.816  -6.208  11.179
  296    H4*    G  28           H4*        G  28   2.189  -6.548  13.110
  297    H3*    G  28           H3*        G  28   3.182  -3.858  12.206
  298    H2*    G  28           H2*        G  28   1.769  -2.799  13.777
  299   2HO*    G  28          2HO*        G  28   0.654  -5.363  13.557
  300    H1*    G  28           H1*        G  28   2.435  -4.536  15.876
  301    H8     G  28           H8         G  28   5.455  -3.737  13.833
  302    H1     G  28           H1         G  28   4.050   0.788  18.242
  303   1H2     G  28          1H2         G  28   2.192   0.407  19.051
  304   2H2     G  28          2H2         G  28   1.168  -0.938  18.602
  305   1H5*    G  29          1H5*        G  29  -0.860  -4.288   9.933
  306   2H5*    G  29          2H5*        G  29  -0.900  -2.849   8.914
  307    H4*    G  29           H4*        G  29  -1.683  -2.760  11.413
  308    H3*    G  29           H3*        G  29   0.175  -0.514  10.608
  309    H2*    G  29           H2*        G  29  -1.371   0.684  11.934
  310   2HO*    G  29          2HO*        G  29  -3.042  -1.629  11.538
  311    H1*    G  29           H1*        G  29  -1.819  -1.438  13.717
  312    H8     G  29           H8         G  29   1.754  -0.971  12.562
  313    H1     G  29           H1         G  29   0.195   2.356  17.890
  314   1H2     G  29          1H2         G  29  -1.833   2.202  18.229
  315   2H2     G  29          2H2         G  29  -2.946   1.305  17.220
  316   1H5*    C  30          1H5*        C  30  -2.866   1.551  11.679
  317   2H5*    C  30          2H5*        C  30  -3.649   1.522  10.100
  318    H4*    C  30           H4*        C  30  -4.076   3.679  10.463
  319    H3*    C  30           H3*        C  30  -1.250   3.706   9.560
  320    H2*    C  30           H2*        C  30  -0.872   5.931  10.249
  321   2HO*    C  30          2HO*        C  30  -3.345   6.483  11.291
  322    H1*    C  30           H1*        C  30  -1.967   5.655  12.771
  323   1H4     C  30          1H4         C  30   4.186   4.146  13.584
  324   2H4     C  30          2H4         C  30   3.831   2.502  13.102
  325    H5     C  30           H5         C  30   1.723   1.788  12.312
  326    H6     C  30           H6         C  30  -0.588   2.483  11.786
  327   1H5*    G  31          1H5*        G  31  -3.073   7.239   8.310
  328   2H5*    G  31          2H5*        G  31  -2.722   7.667   6.635
  329    H4*    G  31           H4*        G  31  -2.157   9.506   8.081
  330    H3*    G  31           H3*        G  31   0.176   8.106   6.790
  331    H2*    G  31           H2*        G  31   1.633   9.741   7.679
  332   2HO*    G  31          2HO*        G  31   0.747  11.720   7.990
  333    H1*    G  31           H1*        G  31   0.466   9.707  10.232
  334    H8     G  31           H8         G  31   0.682   6.266   8.773
  335    H1     G  31           H1         G  31   6.132   8.210  11.671
  336   1H2     G  31          1H2         G  31   5.991  10.217  12.127
  337   2H2     G  31          2H2         G  31   4.603  11.222  11.778
  338   1H5*    A  32          1H5*        A  32   0.302  12.445   6.188
  339   2H5*    A  32          2H5*        A  32   1.044  12.790   4.626
  340    H4*    A  32           H4*        A  32   2.172  13.927   6.491
  341    H3*    A  32           H3*        A  32   3.702  11.956   4.821
  342    H2*    A  32           H2*        A  32   5.678  12.416   6.035
  343   2HO*    A  32          2HO*        A  32   4.556  14.721   6.114
  344    H1*    A  32           H1*        A  32   4.424  12.300   8.543
  345    H8     A  32           H8         A  32   3.064   9.644   6.308
  346   1H6     A  32          1H6         A  32   7.844   6.073   8.142
  347   2H6     A  32          2H6         A  32   6.331   6.075   7.264
  348    H2     A  32           H2         A  32   8.539  10.200   9.633
  349   1H5*    G  33          1H5*        G  33   5.901  15.428   5.312
  350   2H5*    G  33          2H5*        G  33   6.183  16.218   3.761
  351    H4*    G  33           H4*        G  33   8.239  16.379   4.799
  352    H3*    G  33           H3*        G  33   8.201  14.069   2.908
  353    H2*    G  33           H2*        G  33  10.388  13.411   3.516
  354   2HO*    G  33          2HO*        G  33  10.388  15.767   5.168
  355    H1*    G  33           H1*        G  33   9.928  13.636   6.274
  356    H8     G  33           H8         G  33   6.957  12.206   4.498
  357    H1     G  33           H1         G  33  11.478   7.813   5.962
  358   1H2     G  33          1H2         G  33  13.180   8.770   6.625
  359   2H2     G  33          2H2         G  33  13.355  10.506   6.763
  360   1H5*    U  34          1H5*        U  34  11.881  15.990   2.659
  361   2H5*    U  34          2H5*        U  34  12.278  16.440   1.000
  362    H4*    U  34           H4*        U  34  14.175  15.345   1.889
  363    H3*    U  34           H3*        U  34  12.626  13.657  -0.054
  364    H2*    U  34           H2*        U  34  14.216  11.921   0.144
  365   2HO*    U  34          2HO*        U  34  16.146  12.945   0.250
  366    H1*    U  34           H1*        U  34  14.345  12.055   2.942
  367    H3     U  34           H3         U  34  12.246   8.113   2.040
  368    H5     U  34           H5         U  34   9.261  11.016   1.591
  369    H6     U  34           H6         U  34  11.014  12.714   1.827
  370   1H5*    C  35          1H5*        C  35  16.605  13.492  -1.551
  371   2H5*    C  35          2H5*        C  35  16.581  14.133  -3.192
  372    H4*    C  35           H4*        C  35  17.731  12.128  -3.398
  373    H3*    C  35           H3*        C  35  14.867  11.787  -4.223
  374    H2*    C  35           H2*        C  35  15.245   9.515  -4.743
  375   2HO*    C  35          2HO*        C  35  17.291   9.969  -5.700
  376    H1*    C  35           H1*        C  35  16.695   8.995  -2.391
  377   1H4     C  35          1H4         C  35  10.786   7.087  -0.948
  378   2H4     C  35          2H4         C  35  10.287   8.754  -0.767
  379    H5     C  35           H5         C  35  11.682  10.603  -1.229
  380    H6     C  35           H6         C  35  13.923  11.314  -1.984
  381   1H5*    C  36          1H5*        C  36  16.893  10.092  -7.702
  382   2H5*    C  36          2H5*        C  36  16.137  10.904  -9.072
  383    H4*    C  36           H4*        C  36  15.935   8.555  -9.402
  384    H3*    C  36           H3*        C  36  13.356   9.921  -8.669
  385    H2*    C  36           H2*        C  36  12.190   7.886  -8.960
  386   2HO*    C  36          2HO*        C  36  14.279   7.606 -10.609
  387    H1*    C  36           H1*        C  36  14.101   6.357  -7.567
  388   1H4     C  36          1H4         C  36   9.713   7.517  -3.100
  389   2H4     C  36          2H4         C  36  10.182   9.202  -3.053
  390    H5     C  36           H5         C  36  11.797  10.158  -4.485
  391    H6     C  36           H6         C  36  13.377   9.729  -6.334
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   1.671  -0.889  -0.876
    2   2H5*    G   1          2H5*        G   1   2.683  -1.508   0.429
    3    H4*    G   1           H4*        G   1   3.733  -1.732  -1.782
    4    H3*    G   1           H3*        G   1   5.102   0.051   0.238
    5    H2*    G   1           H2*        G   1   6.894   0.283  -1.232
    6   2HO*    G   1          2HO*        G   1   7.328  -1.452  -2.610
    7    H1*    G   1           H1*        G   1   5.317   0.221  -3.605
    8    H8     G   1           H8         G   1   3.774   2.568  -1.216
    9    H1     G   1           H1         G   1   8.868   5.130  -4.276
   10   1H2     G   1          1H2         G   1   9.896   3.642  -5.267
   11   2H2     G   1          2H2         G   1   9.445   1.952  -5.268
   12   1H5*    G   2          1H5*        G   2   7.879  -3.071  -0.500
   13   2H5*    G   2          2H5*        G   2   8.508  -3.711   1.018
   14    H4*    G   2           H4*        G   2  10.431  -3.158  -0.130
   15    H3*    G   2           H3*        G   2   9.714  -0.851   1.674
   16    H2*    G   2           H2*        G   2  11.689   0.255   1.021
   17   2HO*    G   2          2HO*        G   2  12.357  -2.321   0.791
   18    H1*    G   2           H1*        G   2  11.417  -0.388  -1.709
   19    H8     G   2           H8         G   2   8.300   0.642   0.201
   20    H1     G   2           H1         G   2  11.416   5.502  -2.726
   21   1H2     G   2          1H2         G   2  13.194   4.808  -3.507
   22   2H2     G   2          2H2         G   2  13.757   3.157  -3.388
   23   1H5*    A   3          1H5*        A   3  13.646  -2.089   2.230
   24   2H5*    A   3          2H5*        A   3  14.136  -2.264   3.915
   25    H4*    A   3           H4*        A   3  15.806  -0.956   2.940
   26    H3*    A   3           H3*        A   3  13.882   0.703   4.532
   27    H2*    A   3           H2*        A   3  15.072   2.676   4.015
   28   2HO*    A   3          2HO*        A   3  17.198   2.410   3.099
   29    H1*    A   3           H1*        A   3  15.360   2.001   1.281
   30    H8     A   3           H8         A   3  11.927   1.273   2.575
   31   1H6     A   3          1H6         A   3  10.478   7.166   1.116
   32   2H6     A   3          2H6         A   3   9.818   5.631   1.635
   33    H2     A   3           H2         A   3  14.869   6.662   0.667
   34   1H5*    C   4          1H5*        C   4  17.690   1.756   5.599
   35   2H5*    C   4          2H5*        C   4  18.039   1.639   7.323
   36    H4*    C   4           H4*        C   4  18.800   3.758   6.680
   37    H3*    C   4           H3*        C   4  16.175   3.885   8.123
   38    H2*    C   4           H2*        C   4  16.137   6.242   7.946
   39   2HO*    C   4          2HO*        C   4  18.178   6.947   8.192
   40    H1*    C   4           H1*        C   4  16.874   6.265   5.237
   41   1H4     C   4          1H4         C   4  10.500   6.695   5.192
   42   2H4     C   4          2H4         C   4  10.398   4.956   5.337
   43    H5     C   4           H5         C   4  12.270   3.549   5.652
   44    H6     C   4           H6         C   4  14.724   3.466   5.908
   45   1H5*    U   5          1H5*        U   5  18.644   6.770   9.869
   46   2H5*    U   5          2H5*        U   5  18.778   6.511  11.609
   47    H4*    U   5           H4*        U   5  18.259   8.779  11.368
   48    H3*    U   5           H3*        U   5  15.860   7.164  12.166
   49    H2*    U   5           H2*        U   5  14.520   9.109  12.225
   50   2HO*    U   5          2HO*        U   5  16.398  10.961  11.505
   51    H1*    U   5           H1*        U   5  15.478  10.109   9.784
   52    H3     U   5           H3         U   5  11.220   8.945   8.769
   53    H5     U   5           H5         U   5  13.222   5.276   9.038
   54    H6     U   5           H6         U   5  15.176   6.515   9.851
   55   1H5*    C   6          1H5*        C   6  16.303  10.278  14.750
   56   2H5*    C   6          2H5*        C   6  15.891  10.060  16.451
   57    H4*    C   6           H4*        C   6  14.517  11.785  15.438
   58    H3*    C   6           H3*        C   6  13.021   9.265  16.205
   59    H2*    C   6           H2*        C   6  11.023  10.467  15.858
   60   2HO*    C   6          2HO*        C   6  11.148  12.753  15.906
   61    H1*    C   6           H1*        C   6  11.870  11.716  13.508
   62   1H4     C   6          1H4         C   6   8.767   6.521  11.475
   63   2H4     C   6          2H4         C   6  10.199   5.560  11.771
   64    H5     C   6           H5         C   6  12.160   6.399  12.783
   65    H6     C   6           H6         C   6  13.242   8.387  13.772
   66   1H5*    G   7          1H5*        G   7  11.706  12.528  18.587
   67   2H5*    G   7          2H5*        G   7  11.348  12.092  20.257
   68    H4*    G   7           H4*        G   7   9.450  13.212  19.330
   69    H3*    G   7           H3*        G   7   9.094  10.278  19.847
   70    H2*    G   7           H2*        G   7   6.847  10.384  19.125
   71   2HO*    G   7          2HO*        G   7   7.332  12.901  19.967
   72    H1*    G   7           H1*        G   7   7.434  11.949  16.857
   73    H8     G   7           H8         G   7   9.965   9.245  17.452
   74    H1     G   7           H1         G   7   4.778   7.285  14.115
   75   1H2     G   7          1H2         G   7   3.342   8.765  14.142
   76   2H2     G   7          2H2         G   7   3.518  10.307  14.949
   77   1H5*    G   8          1H5*        G   8   5.576  11.245  20.696
   78   2H5*    G   8          2H5*        G   8   5.615  11.672  22.407
   79    H4*    G   8           H4*        G   8   3.587  10.610  22.243
   80    H3*    G   8           H3*        G   8   5.656   8.736  23.237
   81    H2*    G   8           H2*        G   8   4.266   6.832  23.066
   82   2HO*    G   8          2HO*        G   8   2.497   8.851  23.306
   83    H1*    G   8           H1*        G   8   3.371   7.444  20.479
   84    H8     G   8           H8         G   8   6.995   8.255  20.789
   85    H1     G   8           H1         G   8   5.856   1.988  19.646
   86   1H2     G   8          1H2         G   8   3.840   1.605  19.852
   87   2H2     G   8          2H2         G   8   2.638   2.804  20.272
   88   1H5*    C   9          1H5*        C   9   2.361   8.016  25.079
   89   2H5*    C   9          2H5*        C   9   2.236   7.432  26.737
   90    H4*    C   9           H4*        C   9   1.591   5.707  25.157
   91    H3*    C   9           H3*        C   9   4.242   5.066  26.503
   92    H2*    C   9           H2*        C   9   3.763   2.833  25.897
   93   2HO*    C   9          2HO*        C   9   1.383   2.760  24.917
   94    H1*    C   9           H1*        C   9   2.802   3.468  23.354
   95   1H4     C   9          1H4         C   9   8.989   2.126  22.474
   96   2H4     C   9          2H4         C   9   9.382   3.787  22.860
   97    H5     C   9           H5         C   9   7.801   5.374  23.607
   98    H6     C   9           H6         C   9   5.429   5.762  24.175
   99   1H5*    U  10          1H5*        U  10   1.442   2.539  27.891
  100   2H5*    U  10          2H5*        U  10   1.404   2.283  29.635
  101    H4*    U  10           H4*        U  10   1.443   0.139  28.687
  102    H3*    U  10           H3*        U  10   4.086   0.964  29.816
  103    H2*    U  10           H2*        U  10   5.097  -1.064  29.146
  104   2HO*    U  10          2HO*        U  10   2.355  -1.659  29.018
  105    H1*    U  10           H1*        U  10   4.004  -1.013  26.563
  106    H3     U  10           H3         U  10   8.510  -0.286  26.154
  107    H5     U  10           H5         U  10   6.871   3.469  27.020
  108    H6     U  10           H6         U  10   4.746   2.329  27.466
  109   1H5*    U  11          1H5*        U  11   3.540  -2.824  31.142
  110   2H5*    U  11          2H5*        U  11   3.393  -2.926  32.897
  111    H4*    U  11           H4*        U  11   4.914  -4.604  32.320
  112    H3*    U  11           H3*        U  11   6.280  -2.179  33.428
  113    H2*    U  11           H2*        U  11   8.404  -3.186  33.175
  114   2HO*    U  11          2HO*        U  11   8.425  -5.481  32.713
  115    H1*    U  11           H1*        U  11   7.897  -4.113  30.574
  116    H3     U  11           H3         U  11  10.969  -0.850  29.902
  117    H5     U  11           H5         U  11   7.436   1.247  30.715
  118    H6     U  11           H6         U  11   6.398  -0.908  31.253
  119   1H5*    G  12          1H5*        G  12   7.787  -5.701  35.261
  120   2H5*    G  12          2H5*        G  12   7.803  -5.563  37.019
  121    H4*    G  12           H4*        G  12   9.939  -6.323  36.459
  122    H3*    G  12           H3*        G  12   9.895  -3.409  37.107
  123    H2*    G  12           H2*        G  12  12.171  -3.144  36.588
  124   2HO*    G  12          2HO*        G  12  11.961  -5.968  36.852
  125    H1*    G  12           H1*        G  12  12.107  -4.698  34.253
  126    H8     G  12           H8         G  12   9.191  -2.363  34.989
  127    H1     G  12           H1         G  12  13.825   0.153  31.237
  128   1H2     G  12          1H2         G  12  15.408  -1.163  31.121
  129   2H2     G  12          2H2         G  12  15.470  -2.718  31.920
  130   1H5*    C  13          1H5*        C  13  13.060  -5.309  39.115
  131   2H5*    C  13          2H5*        C  13  13.295  -4.812  40.791
  132    H4*    C  13           H4*        C  13  15.367  -4.537  39.674
  133    H3*    C  13           H3*        C  13  13.952  -1.975  40.312
  134    H2*    C  13           H2*        C  13  15.702  -0.703  39.361
  135   2HO*    C  13          2HO*        C  13  17.424  -2.574  38.536
  136    H1*    C  13           H1*        C  13  15.906  -2.320  37.064
  137   1H4     C  13          1H4         C  13  12.219   2.514  35.147
  138   2H4     C  13          2H4         C  13  10.870   1.849  36.041
  139    H5     C  13           H5         C  13  11.024  -0.054  37.432
  140    H6     C  13           H6         C  13  12.524  -1.805  38.315
  141   1H5*    U  14          1H5*        U  14  17.732  -1.666  41.584
  142   2H5*    U  14          2H5*        U  14  18.079  -0.858  43.113
  143    H4*    U  14           H4*        U  14  19.193   0.306  41.339
  144    H3*    U  14           H3*        U  14  16.902   1.758  42.620
  145    H2*    U  14           H2*        U  14  17.284   3.647  41.254
  146   2HO*    U  14          2HO*        U  14  19.310   3.448  39.878
  147    H1*    U  14           H1*        U  14  17.583   2.145  38.896
  148    H3     U  14           H3         U  14  13.631   4.151  38.072
  149    H5     U  14           H5         U  14  12.720   1.457  41.146
  150    H6     U  14           H6         U  14  15.117   0.958  41.286
  151   1H5*    G  15          1H5*        G  15  20.563   4.510  43.003
  152   2H5*    G  15          2H5*        G  15  20.415   5.105  44.656
  153    H4*    G  15           H4*        G  15  20.704   6.979  43.211
  154    H3*    G  15           H3*        G  15  17.952   6.688  44.372
  155    H2*    G  15           H2*        G  15  17.253   8.680  43.310
  156   2HO*    G  15          2HO*        G  15  20.017   8.897  42.532
  157    H1*    G  15           H1*        G  15  18.385   8.037  40.834
  158    H8     G  15           H8         G  15  16.915   5.016  42.497
  159    H1     G  15           H1         G  15  12.606   8.530  39.185
  160   1H2     G  15          1H2         G  15  13.470  10.311  38.606
  161   2H2     G  15          2H2         G  15  15.116  10.782  38.964
  162   1H5*    G  16          1H5*        G  16  18.876  10.263  46.959
  163   2H5*    G  16          2H5*        G  16  17.722   9.997  48.266
  164    H4*    G  16           H4*        G  16  17.206  11.845  46.590
  165    H3*    G  16           H3*        G  16  15.238   9.731  47.423
  166    H2*    G  16           H2*        G  16  13.562  10.746  46.100
  167   2HO*    G  16          2HO*        G  16  13.779  12.908  45.774
  168    H1*    G  16           H1*        G  16  15.208  11.090  43.865
  169    H8     G  16           H8         G  16  15.966   7.834  45.528
  170    H1     G  16           H1         G  16  10.861   7.579  41.560
  171   1H2     G  16          1H2         G  16  10.339   9.489  40.984
  172   2H2     G  16          2H2         G  16  11.163  10.943  41.500
  173   1H5*    A  17          1H5*        A  17  12.686   9.321  50.045
  174   2H5*    A  17          2H5*        A  17  12.332   8.903  48.369
  175    H4*    A  17           H4*        A  17  10.305   9.195  49.723
  176    H3*    A  17           H3*        A  17  10.760  11.023  47.378
  177    H2*    A  17           H2*        A  17   8.648  12.015  47.726
  178   2HO*    A  17          2HO*        A  17   8.434   9.582  49.112
  179    H1*    A  17           H1*        A  17   8.982  12.118  50.550
  180    H8     A  17           H8         A  17  12.122  13.373  49.245
  181   1H6     A  17          1H6         A  17   9.345  18.846  48.108
  182   2H6     A  17          2H6         A  17  10.892  18.036  48.214
  183    H2     A  17           H2         A  17   6.191  15.843  48.990
  184   1H5*    G  18          1H5*        G  18   7.496  11.066  46.673
  185   2H5*    G  18          2H5*        G  18   7.123  10.870  44.961
  186    H4*    G  18           H4*        G  18   6.944  13.211  46.104
  187    H3*    G  18           H3*        G  18   7.728  12.489  43.360
  188    H2*    G  18           H2*        G  18   9.331  14.123  43.278
  189   2HO*    G  18          2HO*        G  18   8.101  15.725  42.472
  190    H1*    G  18           H1*        G  18   8.626  15.767  45.581
  191    H8     G  18           H8         G  18  10.486  12.422  45.217
  192    H1     G  18           H1         G  18  14.093  17.447  47.118
  193   1H2     G  18          1H2         G  18  12.922  19.142  47.204
  194   2H2     G  18          2H2         G  18  11.216  19.195  46.819
  195   1H5*    A  19          1H5*        A  19   4.571  16.077  40.358
  196   2H5*    A  19          2H5*        A  19   4.913  14.380  40.026
  197    H4*    A  19           H4*        A  19   6.440  16.560  39.265
  198    H3*    A  19           H3*        A  19   7.174  13.620  39.428
  199    H2*    A  19           H2*        A  19   9.178  14.217  38.325
  200   2HO*    A  19          2HO*        A  19   8.024  16.833  38.045
  201    H1*    A  19           H1*        A  19   9.559  16.550  39.854
  202    H8     A  19           H8         A  19   8.974  12.813  40.232
  203   1H6     A  19          1H6         A  19  13.703  12.928  44.304
  204   2H6     A  19          2H6         A  19  12.596  11.879  43.445
  205    H2     A  19           H2         A  19  12.784  17.111  43.121
  206   1H5*    C  20          1H5*        C  20   6.336  11.564  34.633
  207   2H5*    C  20          2H5*        C  20   6.670  11.164  36.318
  208    H4*    C  20           H4*        C  20   7.795  13.580  34.886
  209    H3*    C  20           H3*        C  20   8.750  10.794  34.887
  210    H2*    C  20           H2*        C  20  10.929  11.291  35.650
  211   2HO*    C  20          2HO*        C  20  11.644  13.278  35.108
  212    H1*    C  20           H1*        C  20  10.115  12.911  37.755
  213   1H4     C  20          1H4         C  20  10.659   6.889  39.971
  214   2H4     C  20          2H4         C  20   8.911   6.848  40.007
  215    H5     C  20           H5         C  20   7.535   8.545  39.109
  216    H6     C  20           H6         C  20   7.499  10.721  37.943
  217   1H5*    G  21          1H5*        G  21  11.681  13.176  33.291
  218   2H5*    G  21          2H5*        G  21  12.043  12.813  31.603
  219    H4*    G  21           H4*        G  21  14.115  13.072  32.708
  220    H3*    G  21           H3*        G  21  13.423  10.285  31.942
  221    H2*    G  21           H2*        G  21  15.309   9.361  33.022
  222   2HO*    G  21          2HO*        G  21  16.800  10.931  32.468
  223    H1*    G  21           H1*        G  21  14.945  10.897  35.371
  224    H8     G  21           H8         G  21  11.701   9.551  34.119
  225    H1     G  21           H1         G  21  15.054   5.297  37.659
  226   1H2     G  21          1H2         G  21  16.957   6.022  37.988
  227   2H2     G  21          2H2         G  21  17.555   7.554  37.391
  228   1H5*    G  22          1H5*        G  22  17.483  10.625  31.330
  229   2H5*    G  22          2H5*        G  22  17.894  10.312  29.644
  230    H4*    G  22           H4*        G  22  19.365   8.981  30.877
  231    H3*    G  22           H3*        G  22  17.098   7.392  29.736
  232    H2*    G  22           H2*        G  22  17.923   5.398  30.701
  233   2HO*    G  22          2HO*        G  22  20.147   7.013  31.554
  234    H1*    G  22           H1*        G  22  18.405   6.556  33.212
  235    H8     G  22           H8         G  22  15.223   7.829  31.709
  236    H1     G  22           H1         G  22  14.560   2.182  34.800
  237   1H2     G  22          1H2         G  22  16.421   1.439  35.281
  238   2H2     G  22          2H2         G  22  17.937   2.226  34.903
  239   1H5*    C  23          1H5*        C  23  20.593   5.301  28.802
  240   2H5*    C  23          2H5*        C  23  20.671   4.840  27.101
  241    H4*    C  23           H4*        C  23  21.018   2.889  28.429
  242    H3*    C  23           H3*        C  23  18.364   2.988  27.019
  243    H2*    C  23           H2*        C  23  17.856   0.818  27.803
  244   2HO*    C  23          2HO*        C  23  19.920  -0.003  29.152
  245    H1*    C  23           H1*        C  23  18.740   1.328  30.424
  246   1H4     C  23          1H4         C  23  12.432   2.251  30.701
  247   2H4     C  23          2H4         C  23  12.639   3.838  29.995
  248    H5     C  23           H5         C  23  14.707   4.674  29.220
  249    H6     C  23           H6         C  23  17.110   4.188  28.928
  250   1H5*    A  24          1H5*        A  24  20.660  -0.651  25.586
  251   2H5*    A  24          2H5*        A  24  20.088  -1.047  23.966
  252    H4*    A  24           H4*        A  24  19.846  -2.934  25.488
  253    H3*    A  24           H3*        A  24  17.408  -1.728  24.256
  254    H2*    A  24           H2*        A  24  15.975  -3.218  25.401
  255   2HO*    A  24          2HO*        A  24  18.047  -4.711  25.102
  256    H1*    A  24           H1*        A  24  17.249  -2.878  27.881
  257    H8     A  24           H8         A  24  16.888   0.277  25.840
  258   1H6     A  24          1H6         A  24  11.452   1.102  28.793
  259   2H6     A  24          2H6         A  24  12.598   1.845  27.700
  260    H2     A  24           H2         A  24  13.025  -2.911  29.873
  261   1H5*    A  25          1H5*        A  25  17.220  -5.964  23.442
  262   2H5*    A  25          2H5*        A  25  16.382  -6.310  21.930
  263    H4*    A  25           H4*        A  25  15.270  -7.261  23.924
  264    H3*    A  25           H3*        A  25  13.806  -5.316  22.164
  265    H2*    A  25           H2*        A  25  11.849  -5.581  23.462
  266   2HO*    A  25          2HO*        A  25  13.007  -7.933  23.734
  267    H1*    A  25           H1*        A  25  13.175  -5.384  25.922
  268    H8     A  25           H8         A  25  14.603  -3.001  23.412
  269   1H6     A  25          1H6         A  25  10.224   1.046  25.253
  270   2H6     A  25          2H6         A  25  11.668   0.865  24.284
  271    H2     A  25           H2         A  25   9.347  -2.894  27.113
  272   1H5*    G  26          1H5*        G  26  11.296  -8.153  22.565
  273   2H5*    G  26          2H5*        G  26  10.659  -8.934  21.118
  274    H4*    G  26           H4*        G  26   8.799  -8.196  22.373
  275    H3*    G  26           H3*        G  26   9.310  -6.314  20.053
  276    H2*    G  26           H2*        G  26   7.246  -5.326  20.524
  277   2HO*    G  26          2HO*        G  26   6.493  -7.651  20.693
  278    H1*    G  26           H1*        G  26   7.402  -5.487  23.306
  279    H8     G  26           H8         G  26  10.742  -4.655  21.830
  280    H1     G  26           H1         G  26   6.898   0.489  22.638
  281   1H2     G  26          1H2         G  26   4.999  -0.142  23.136
  282   2H2     G  26          2H2         G  26   4.519  -1.815  23.309
  283   1H5*    A  27          1H5*        A  27   6.428  -9.214  18.357
  284   2H5*    A  27          2H5*        A  27   6.138  -8.788  16.670
  285    H4*    A  27           H4*        A  27   4.923  -7.489  18.557
  286    H3*    A  27           H3*        A  27   6.324  -5.814  16.443
  287    H2*    A  27           H2*        A  27   4.533  -4.344  16.907
  288   2HO*    A  27          2HO*        A  27   2.599  -5.261  17.570
  289    H1*    A  27           H1*        A  27   4.496  -4.909  19.657
  290    H8     A  27           H8         A  27   7.972  -4.693  18.245
  291   1H6     A  27          1H6         A  27   7.727   1.410  19.523
  292   2H6     A  27          2H6         A  27   8.777   0.113  18.999
  293    H2     A  27           H2         A  27   3.688  -0.314  20.198
  294   1H5*    G  28          1H5*        G  28   2.720  -6.914  13.707
  295   2H5*    G  28          2H5*        G  28   2.901  -5.796  12.356
  296    H4*    G  28           H4*        G  28   1.198  -5.320  14.289
  297    H3*    G  28           H3*        G  28   2.989  -3.232  13.015
  298    H2*    G  28           H2*        G  28   1.677  -1.606  14.123
  299   2HO*    G  28          2HO*        G  28   0.006  -3.886  14.186
  300    H1*    G  28           H1*        G  28   1.581  -3.010  16.547
  301    H8     G  28           H8         G  28   4.958  -3.330  14.982
  302    H1     G  28           H1         G  28   4.171   2.150  18.333
  303   1H2     G  28          1H2         G  28   2.185   2.365  18.844
  304   2H2     G  28          2H2         G  28   0.921   1.230  18.428
  305   1H5*    G  29          1H5*        G  29  -0.426  -1.556   8.943
  306   2H5*    G  29          2H5*        G  29   1.327  -1.444   9.094
  307    H4*    G  29           H4*        G  29  -0.713  -1.089  11.298
  308    H3*    G  29           H3*        G  29   1.337   0.964  10.459
  309    H2*    G  29           H2*        G  29  -0.076   2.299  11.804
  310   2HO*    G  29          2HO*        G  29  -2.104   0.348  11.886
  311    H1*    G  29           H1*        G  29  -0.703   0.243  13.594
  312    H8     G  29           H8         G  29   2.879   0.024  12.548
  313    H1     G  29           H1         G  29   1.836   4.238  17.346
  314   1H2     G  29          1H2         G  29  -0.193   4.515  17.591
  315   2H2     G  29          2H2         G  29  -1.427   3.724  16.637
  316   1H5*    C  30          1H5*        C  30  -1.492   3.274  11.570
  317   2H5*    C  30          2H5*        C  30  -2.282   3.370   9.996
  318    H4*    C  30           H4*        C  30  -2.492   5.546  10.432
  319    H3*    C  30           H3*        C  30   0.313   5.321   9.492
  320    H2*    C  30           H2*        C  30   0.921   7.471  10.245
  321   2HO*    C  30          2HO*        C  30  -1.529   7.890   9.633
  322    H1*    C  30           H1*        C  30  -0.185   7.230  12.769
  323   1H4     C  30          1H4         C  30   5.805   5.125  13.482
  324   2H4     C  30          2H4         C  30   5.290   3.535  12.966
  325    H5     C  30           H5         C  30   3.117   3.045  12.182
  326    H6     C  30           H6         C  30   0.880   3.970  11.696
  327   1H5*    G  31          1H5*        G  31  -1.250   8.880   8.044
  328   2H5*    G  31          2H5*        G  31  -0.737   9.388   6.435
  329    H4*    G  31           H4*        G  31  -0.104  11.009   8.147
  330    H3*    G  31           H3*        G  31   2.134   9.600   6.694
  331    H2*    G  31           H2*        G  31   3.676  11.049   7.744
  332   2HO*    G  31          2HO*        G  31   1.242  12.374   8.525
  333    H1*    G  31           H1*        G  31   2.503  10.833  10.280
  334    H8     G  31           H8         G  31   2.447   7.527   8.548
  335    H1     G  31           H1         G  31   8.099   8.841  11.415
  336   1H2     G  31          1H2         G  31   8.121  10.811  12.023
  337   2H2     G  31          2H2         G  31   6.805  11.940  11.790
  338   1H5*    A  32          1H5*        A  32   2.374  13.771   6.571
  339   2H5*    A  32          2H5*        A  32   2.503  14.396   4.927
  340    H4*    A  32           H4*        A  32   4.060  15.641   6.115
  341    H3*    A  32           H3*        A  32   5.323  13.474   4.525
  342    H2*    A  32           H2*        A  32   7.472  13.846   5.435
  343   2HO*    A  32          2HO*        A  32   6.776  15.884   7.164
  344    H1*    A  32           H1*        A  32   6.559  13.973   8.091
  345    H8     A  32           H8         A  32   4.772  11.287   6.214
  346   1H6     A  32          1H6         A  32   9.514   7.514   7.708
  347   2H6     A  32          2H6         A  32   7.909   7.567   7.015
  348    H2     A  32           H2         A  32  10.633  11.665   8.832
  349   1H5*    G  33          1H5*        G  33   7.805  16.898   4.443
  350   2H5*    G  33          2H5*        G  33   8.086  17.410   2.780
  351    H4*    G  33           H4*        G  33  10.201  17.436   3.746
  352    H3*    G  33           H3*        G  33   9.752  15.049   2.037
  353    H2*    G  33           H2*        G  33  11.789  14.028   2.654
  354   2HO*    G  33          2HO*        G  33  12.290  16.636   3.043
  355    H1*    G  33           H1*        G  33  11.421  14.600   5.416
  356    H8     G  33           H8         G  33   8.303  13.284   3.862
  357    H1     G  33           H1         G  33  12.467   8.638   5.583
  358   1H2     G  33          1H2         G  33  14.277   9.487   6.086
  359   2H2     G  33          2H2         G  33  14.616  11.202   6.048
  360   1H5*    U  34          1H5*        U  34  13.723  16.287   0.604
  361   2H5*    U  34          2H5*        U  34  13.574  16.331  -1.152
  362    H4*    U  34           H4*        U  34  15.398  14.880  -0.451
  363    H3*    U  34           H3*        U  34  13.053  13.528  -1.792
  364    H2*    U  34           H2*        U  34  14.320  11.535  -1.874
  365   2HO*    U  34          2HO*        U  34  16.341  13.457  -1.265
  366    H1*    U  34           H1*        U  34  15.262  11.754   0.754
  367    H3     U  34           H3         U  34  12.332   8.263   0.811
  368    H5     U  34           H5         U  34   9.908  11.674   0.977
  369    H6     U  34           H6         U  34  11.924  13.006   0.565
  370   1H5*    C  35          1H5*        C  35  16.302  12.796  -4.179
  371   2H5*    C  35          2H5*        C  35  16.044  13.009  -5.911
  372    H4*    C  35           H4*        C  35  16.825  10.810  -5.645
  373    H3*    C  35           H3*        C  35  13.826  10.826  -6.025
  374    H2*    C  35           H2*        C  35  13.906   8.471  -6.219
  375   2HO*    C  35          2HO*        C  35  16.330   7.696  -6.155
  376    H1*    C  35           H1*        C  35  15.661   8.136  -4.053
  377   1H4     C  35          1H4         C  35   9.830   7.224  -1.601
  378   2H4     C  35          2H4         C  35   9.666   8.953  -1.397
  379    H5     C  35           H5         C  35  11.247  10.525  -2.177
  380    H6     C  35           H6         C  35  13.395  10.828  -3.356
  381   1H5*    C  36          1H5*        C  36  15.717   8.619  -8.940
  382   2H5*    C  36          2H5*        C  36  15.001   8.593 -10.553
  383    H4*    C  36           H4*        C  36  15.135   6.349  -9.792
  384    H3*    C  36           H3*        C  36  12.346   7.469  -9.796
  385    H2*    C  36           H2*        C  36  11.486   5.378  -9.110
  386   2HO*    C  36          2HO*        C  36  13.988   4.720 -10.161
  387    H1*    C  36           H1*        C  36  13.515   4.979  -7.175
  388   1H4     C  36          1H4         C  36   8.488   7.064  -3.837
  389   2H4     C  36          2H4         C  36   8.869   8.705  -4.309
  390    H5     C  36           H5         C  36  10.583   9.273  -5.831
  391    H6     C  36           H6         C  36  12.371   8.395  -7.290
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   3.458  -1.118  -2.343
    2   2H5*    G   1          2H5*        G   1   4.401  -2.109  -1.231
    3    H4*    G   1           H4*        G   1   5.614  -2.057  -3.245
    4    H3*    G   1           H3*        G   1   6.799  -0.219  -1.174
    5    H2*    G   1           H2*        G   1   8.551   0.315  -2.634
    6   2HO*    G   1          2HO*        G   1   7.653  -1.663  -4.476
    7    H1*    G   1           H1*        G   1   6.935   0.404  -4.957
    8    H8     G   1           H8         G   1   5.155   2.175  -2.253
    9    H1     G   1           H1         G   1   9.838   5.759  -4.921
   10   1H2     G   1          1H2         G   1  11.020   4.567  -6.117
   11   2H2     G   1          2H2         G   1  10.780   2.851  -6.362
   12   1H5*    G   2          1H5*        G   2  10.229  -3.100  -1.898
   13   2H5*    G   2          2H5*        G   2  10.739  -3.469  -0.251
   14    H4*    G   2           H4*        G   2  12.657  -2.728  -1.418
   15    H3*    G   2           H3*        G   2  11.568  -0.722   0.526
   16    H2*    G   2           H2*        G   2  13.299   0.800   0.003
   17   2HO*    G   2          2HO*        G   2  15.159  -0.040  -0.937
   18    H1*    G   2           H1*        G   2  13.063   0.412  -2.781
   19    H8     G   2           H8         G   2   9.812   0.624  -0.869
   20    H1     G   2           H1         G   2  12.093   6.330  -2.902
   21   1H2     G   2          1H2         G   2  13.987   6.077  -3.676
   22   2H2     G   2          2H2         G   2  14.833   4.547  -3.762
   23   1H5*    A   3          1H5*        A   3  15.810  -1.016   1.301
   24   2H5*    A   3          2H5*        A   3  16.010  -1.325   3.025
   25    H4*    A   3           H4*        A   3  17.444   0.469   2.507
   26    H3*    A   3           H3*        A   3  14.970   1.313   3.972
   27    H2*    A   3           H2*        A   3  15.663   3.573   3.956
   28   2HO*    A   3          2HO*        A   3  17.864   3.995   3.479
   29    H1*    A   3           H1*        A   3  16.411   3.536   1.242
   30    H8     A   3           H8         A   3  13.227   1.680   2.067
   31   1H6     A   3          1H6         A   3  10.259   7.040   0.875
   32   2H6     A   3          2H6         A   3  10.031   5.341   1.227
   33    H2     A   3           H2         A   3  14.631   7.827   0.809
   34   1H5*    C   4          1H5*        C   4  18.244   3.194   5.539
   35   2H5*    C   4          2H5*        C   4  18.434   2.978   7.279
   36    H4*    C   4           H4*        C   4  18.685   5.279   6.896
   37    H3*    C   4           H3*        C   4  15.982   4.604   8.019
   38    H2*    C   4           H2*        C   4  15.399   6.895   8.067
   39   2HO*    C   4          2HO*        C   4  18.187   7.166   7.402
   40    H1*    C   4           H1*        C   4  16.359   7.421   5.486
   41   1H4     C   4          1H4         C   4  10.127   6.319   4.651
   42   2H4     C   4          2H4         C   4  10.435   4.597   4.692
   43    H5     C   4           H5         C   4  12.546   3.649   5.159
   44    H6     C   4           H6         C   4  14.907   4.124   5.708
   45   1H5*    U   5          1H5*        U   5  17.656   7.621  10.121
   46   2H5*    U   5          2H5*        U   5  17.748   7.436  11.873
   47    H4*    U   5           H4*        U   5  16.823   9.558  11.520
   48    H3*    U   5           H3*        U   5  14.730   7.542  12.282
   49    H2*    U   5           H2*        U   5  13.071   9.225  12.260
   50   2HO*    U   5          2HO*        U   5  15.447  10.681  12.471
   51    H1*    U   5           H1*        U   5  13.906  10.339   9.831
   52    H3     U   5           H3         U   5   9.969   8.340   8.781
   53    H5     U   5           H5         U   5  12.684   5.163   9.043
   54    H6     U   5           H6         U   5  14.331   6.770   9.890
   55   1H5*    C   6          1H5*        C   6  14.463  10.843  14.642
   56   2H5*    C   6          2H5*        C   6  14.352  10.597  16.385
   57    H4*    C   6           H4*        C   6  12.573  12.021  15.845
   58    H3*    C   6           H3*        C   6  11.649   9.191  16.251
   59    H2*    C   6           H2*        C   6   9.406   9.855  15.916
   60   2HO*    C   6          2HO*        C   6   8.966  12.138  15.985
   61    H1*    C   6           H1*        C   6   9.964  11.420  13.663
   62   1H4     C   6          1H4         C   6   8.265   5.804  11.169
   63   2H4     C   6          2H4         C   6   9.827   5.138  11.593
   64    H5     C   6           H5         C   6  11.469   6.312  12.818
   65    H6     C   6           H6         C   6  12.024   8.435  13.951
   66   1H5*    G   7          1H5*        G   7   9.411  12.012  18.498
   67   2H5*    G   7          2H5*        G   7   9.333  11.581  20.206
   68    H4*    G   7           H4*        G   7   7.151  12.196  19.648
   69    H3*    G   7           H3*        G   7   7.495   9.233  19.804
   70    H2*    G   7           H2*        G   7   5.252   8.847  19.165
   71   2HO*    G   7          2HO*        G   7   4.543  11.510  18.860
   72    H1*    G   7           H1*        G   7   5.310  10.665  17.034
   73    H8     G   7           H8         G   7   8.542   8.800  17.288
   74    H1     G   7           H1         G   7   3.935   5.583  14.076
   75   1H2     G   7          1H2         G   7   2.131   6.557  14.300
   76   2H2     G   7          2H2         G   7   1.902   8.027  15.221
   77   1H5*    G   8          1H5*        G   8   3.022   9.505  20.593
   78   2H5*    G   8          2H5*        G   8   3.350   9.689  22.316
   79    H4*    G   8           H4*        G   8   1.568   8.086  21.937
   80    H3*    G   8           H3*        G   8   4.111   7.137  23.179
   81    H2*    G   8           H2*        G   8   3.335   4.907  23.291
   82   2HO*    G   8          2HO*        G   8   1.061   6.323  23.325
   83    H1*    G   8           H1*        G   8   2.361   4.889  20.657
   84    H8     G   8           H8         G   8   5.601   6.726  20.813
   85    H1     G   8           H1         G   8   6.306   0.300  20.510
   86   1H2     G   8          1H2         G   8   4.474  -0.608  20.787
   87   2H2     G   8          2H2         G   8   2.972   0.246  21.061
   88   1H5*    C   9          1H5*        C   9   1.052   5.703  25.101
   89   2H5*    C   9          2H5*        C   9   1.054   5.344  26.827
   90    H4*    C   9           H4*        C   9   0.883   3.302  25.550
   91    H3*    C   9           H3*        C   9   3.608   3.589  26.863
   92    H2*    C   9           H2*        C   9   3.804   1.256  26.533
   93   2HO*    C   9          2HO*        C   9   1.002   1.510  25.913
   94    H1*    C   9           H1*        C   9   2.713   1.306  23.951
   95   1H4     C   9          1H4         C   9   9.012   1.521  22.965
   96   2H4     C   9          2H4         C   9   9.007   3.232  23.329
   97    H5     C   9           H5         C   9   7.101   4.413  24.074
   98    H6     C   9           H6         C   9   4.709   4.239  24.658
   99   1H5*    U  10          1H5*        U  10   1.567   0.502  28.437
  100   2H5*    U  10          2H5*        U  10   1.521   0.405  30.197
  101    H4*    U  10           H4*        U  10   2.118  -1.741  29.492
  102    H3*    U  10           H3*        U  10   4.474  -0.186  30.490
  103    H2*    U  10           H2*        U  10   5.933  -1.995  30.055
  104   2HO*    U  10          2HO*        U  10   3.574  -3.447  29.288
  105    H1*    U  10           H1*        U  10   4.897  -2.499  27.497
  106    H3     U  10           H3         U  10   9.029  -0.823  26.654
  107    H5     U  10           H5         U  10   6.755   2.542  27.680
  108    H6     U  10           H6         U  10   4.939   1.008  28.281
  109   1H5*    U  11          1H5*        U  11   4.652  -3.987  31.934
  110   2H5*    U  11          2H5*        U  11   4.781  -4.090  33.690
  111    H4*    U  11           H4*        U  11   6.453  -5.503  32.855
  112    H3*    U  11           H3*        U  11   7.545  -2.892  33.842
  113    H2*    U  11           H2*        U  11   9.750  -3.550  33.301
  114   2HO*    U  11          2HO*        U  11   9.886  -5.884  32.517
  115    H1*    U  11           H1*        U  11   9.065  -4.533  30.762
  116    H3     U  11           H3         U  11  11.464  -0.822  29.767
  117    H5     U  11           H5         U  11   7.799   0.689  31.119
  118    H6     U  11           H6         U  11   7.190  -1.607  31.729
  119   1H5*    G  12          1H5*        G  12   9.951  -6.125  35.100
  120   2H5*    G  12          2H5*        G  12  10.159  -6.082  36.851
  121    H4*    G  12           H4*        G  12  12.301  -6.440  35.944
  122    H3*    G  12           H3*        G  12  11.885  -3.642  36.928
  123    H2*    G  12           H2*        G  12  14.021  -2.987  36.235
  124   2HO*    G  12          2HO*        G  12  15.338  -4.609  36.862
  125    H1*    G  12           H1*        G  12  14.022  -4.370  33.804
  126    H8     G  12           H8         G  12  10.727  -2.763  34.738
  127    H1     G  12           H1         G  12  14.723   1.068  31.385
  128   1H2     G  12          1H2         G  12  16.557   0.147  31.189
  129   2H2     G  12          2H2         G  12  16.954  -1.428  31.838
  130   1H5*    C  13          1H5*        C  13  15.573  -5.043  38.228
  131   2H5*    C  13          2H5*        C  13  15.846  -4.787  39.952
  132    H4*    C  13           H4*        C  13  17.737  -3.902  38.905
  133    H3*    C  13           H3*        C  13  15.821  -1.760  39.751
  134    H2*    C  13           H2*        C  13  17.245  -0.074  38.908
  135   2HO*    C  13          2HO*        C  13  19.417  -0.666  38.446
  136    H1*    C  13           H1*        C  13  17.730  -1.395  36.479
  137   1H4     C  13          1H4         C  13  12.969   2.583  35.026
  138   2H4     C  13          2H4         C  13  11.843   1.575  35.909
  139    H5     C  13           H5         C  13  12.477  -0.333  37.147
  140    H6     C  13           H6         C  13  14.367  -1.759  37.850
  141   1H5*    U  14          1H5*        U  14  19.378  -0.585  41.060
  142   2H5*    U  14          2H5*        U  14  19.497   0.060  42.697
  143    H4*    U  14           H4*        U  14  20.232   1.713  41.105
  144    H3*    U  14           H3*        U  14  17.645   2.332  42.523
  145    H2*    U  14           H2*        U  14  17.639   4.476  41.527
  146   2HO*    U  14          2HO*        U  14  19.606   5.302  40.945
  147    H1*    U  14           H1*        U  14  18.317   3.543  38.975
  148    H3     U  14           H3         U  14  14.001   4.737  38.371
  149    H5     U  14           H5         U  14  13.742   1.260  40.691
  150    H6     U  14           H6         U  14  16.185   1.323  40.880
  151   1H5*    G  15          1H5*        G  15  20.572   5.602  43.344
  152   2H5*    G  15          2H5*        G  15  20.520   5.848  45.089
  153    H4*    G  15           H4*        G  15  20.365   7.993  44.188
  154    H3*    G  15           H3*        G  15  17.727   6.957  45.120
  155    H2*    G  15           H2*        G  15  16.585   8.881  44.361
  156   2HO*    G  15          2HO*        G  15  18.997  10.038  43.426
  157    H1*    G  15           H1*        G  15  17.852   8.921  41.860
  158    H8     G  15           H8         G  15  16.990   5.463  43.084
  159    H1     G  15           H1         G  15  12.221   8.393  39.837
  160   1H2     G  15          1H2         G  15  12.731  10.361  39.492
  161   2H2     G  15          2H2         G  15  14.227  11.107  40.006
  162   1H5*    G  16          1H5*        G  16  17.288  11.004  46.231
  163   2H5*    G  16          2H5*        G  16  16.634  10.947  47.868
  164    H4*    G  16           H4*        G  16  15.113  12.085  46.351
  165    H3*    G  16           H3*        G  16  14.159   9.458  47.490
  166    H2*    G  16           H2*        G  16  12.028   9.875  46.553
  167   2HO*    G  16          2HO*        G  16  13.235  12.449  46.120
  168    H1*    G  16           H1*        G  16  13.051  10.722  44.078
  169    H8     G  16           H8         G  16  14.862   7.787  45.607
  170    H1     G  16           H1         G  16   9.776   6.164  41.948
  171   1H2     G  16          1H2         G  16   8.733   7.865  41.426
  172   2H2     G  16          2H2         G  16   9.172   9.488  41.907
  173   1H5*    A  17          1H5*        A  17  12.603   8.220  48.827
  174   2H5*    A  17          2H5*        A  17  11.482   8.469  47.490
  175    H4*    A  17           H4*        A  17  10.858   6.993  49.593
  176    H3*    A  17           H3*        A  17   9.047   8.791  47.989
  177    H2*    A  17           H2*        A  17   7.216   8.085  49.306
  178   2HO*    A  17          2HO*        A  17   8.004   5.889  49.271
  179    H1*    A  17           H1*        A  17   8.584   8.323  51.740
  180    H8     A  17           H8         A  17   9.775  11.266  50.043
  181   1H6     A  17          1H6         A  17   4.262  14.013  51.046
  182   2H6     A  17          2H6         A  17   5.918  14.295  50.558
  183    H2     A  17           H2         A  17   3.827   9.672  51.892
  184   1H5*    G  18          1H5*        G  18   5.041   6.629  47.787
  185   2H5*    G  18          2H5*        G  18   5.494   6.387  46.100
  186    H4*    G  18           H4*        G  18   3.678   8.055  46.470
  187    H3*    G  18           H3*        G  18   6.157   8.667  44.939
  188    H2*    G  18           H2*        G  18   5.564  10.932  44.635
  189   2HO*    G  18          2HO*        G  18   3.262  11.305  45.737
  190    H1*    G  18           H1*        G  18   4.837  11.356  47.299
  191    H8     G  18           H8         G  18   7.836   9.191  46.299
  192    H1     G  18           H1         G  18   9.256  15.236  48.124
  193   1H2     G  18          1H2         G  18   7.511  16.273  48.491
  194   2H2     G  18          2H2         G  18   5.903  15.603  48.328
  195   1H5*    A  19          1H5*        A  19   2.621   9.531  42.813
  196   2H5*    A  19          2H5*        A  19   2.494   9.144  41.097
  197    H4*    A  19           H4*        A  19   1.957  11.403  41.207
  198    H3*    A  19           H3*        A  19   4.657  10.876  40.165
  199    H2*    A  19           H2*        A  19   5.419  13.108  40.313
  200   2HO*    A  19          2HO*        A  19   2.631  13.384  40.561
  201    H1*    A  19           H1*        A  19   4.523  13.498  42.929
  202    H8     A  19           H8         A  19   6.197  10.395  41.390
  203   1H6     A  19          1H6         A  19  11.118  11.952  44.901
  204   2H6     A  19          2H6         A  19  10.513  10.786  43.745
  205    H2     A  19           H2         A  19   7.912  14.950  45.593
  206   1H5*    C  20          1H5*        C  20   4.905  11.842  35.413
  207   2H5*    C  20          2H5*        C  20   5.611  10.254  35.711
  208    H4*    C  20           H4*        C  20   6.746  12.931  36.085
  209    H3*    C  20           H3*        C  20   7.780  10.172  35.497
  210    H2*    C  20           H2*        C  20   9.946  10.813  36.196
  211   2HO*    C  20          2HO*        C  20   8.711  13.414  36.280
  212    H1*    C  20           H1*        C  20   9.072  12.091  38.524
  213   1H4     C  20          1H4         C  20  10.615   6.102  40.215
  214   2H4     C  20          2H4         C  20   8.932   5.669  40.017
  215    H5     C  20           H5         C  20   7.294   7.124  39.135
  216    H6     C  20           H6         C  20   6.864   9.374  38.215
  217   1H5*    G  21          1H5*        G  21  10.161  13.297  34.060
  218   2H5*    G  21          2H5*        G  21  10.508  13.187  32.336
  219    H4*    G  21           H4*        G  21  12.537  13.800  33.317
  220    H3*    G  21           H3*        G  21  12.427  10.940  32.521
  221    H2*    G  21           H2*        G  21  14.510  10.426  33.510
  222   2HO*    G  21          2HO*        G  21  15.259  12.759  34.579
  223    H1*    G  21           H1*        G  21  13.925  11.781  35.914
  224    H8     G  21           H8         G  21  10.968   9.859  34.688
  225    H1     G  21           H1         G  21  15.185   6.256  38.022
  226   1H2     G  21          1H2         G  21  16.914   7.335  38.336
  227   2H2     G  21          2H2         G  21  17.182   8.971  37.779
  228   1H5*    G  22          1H5*        G  22  16.236  12.027  31.393
  229   2H5*    G  22          2H5*        G  22  16.541  11.681  29.691
  230    H4*    G  22           H4*        G  22  18.251  10.638  30.980
  231    H3*    G  22           H3*        G  22  16.259   8.725  29.789
  232    H2*    G  22           H2*        G  22  17.518   6.897  30.605
  233   2HO*    G  22          2HO*        G  22  19.593   7.535  30.264
  234    H1*    G  22           H1*        G  22  17.892   8.020  33.153
  235    H8     G  22           H8         G  22  14.433   8.691  31.925
  236    H1     G  22           H1         G  22  15.136   2.826  34.569
  237   1H2     G  22          1H2         G  22  17.139   2.447  34.882
  238   2H2     G  22          2H2         G  22  18.435   3.554  34.485
  239   1H5*    C  23          1H5*        C  23  20.048   7.467  28.782
  240   2H5*    C  23          2H5*        C  23  20.259   7.105  27.069
  241    H4*    C  23           H4*        C  23  21.040   5.213  28.211
  242    H3*    C  23           H3*        C  23  18.300   4.781  27.056
  243    H2*    C  23           H2*        C  23  18.303   2.545  27.825
  244   2HO*    C  23          2HO*        C  23  20.917   3.072  27.531
  245    H1*    C  23           H1*        C  23  19.269   3.198  30.379
  246   1H4     C  23          1H4         C  23  12.956   2.950  31.222
  247   2H4     C  23          2H4         C  23  12.781   4.491  30.412
  248    H5     C  23           H5         C  23  14.569   5.659  29.404
  249    H6     C  23           H6         C  23  16.990   5.637  28.921
  250   1H5*    A  24          1H5*        A  24  20.977   1.524  26.171
  251   2H5*    A  24          2H5*        A  24  20.854   1.099  24.464
  252    H4*    A  24           H4*        A  24  20.684  -0.923  25.651
  253    H3*    A  24           H3*        A  24  18.106   0.045  24.515
  254    H2*    A  24           H2*        A  24  16.870  -1.712  25.502
  255   2HO*    A  24          2HO*        A  24  18.480  -3.284  25.095
  256    H1*    A  24           H1*        A  24  18.074  -1.426  28.025
  257    H8     A  24           H8         A  24  17.372   1.877  26.392
  258   1H6     A  24          1H6         A  24  11.729   1.599  29.045
  259   2H6     A  24          2H6         A  24  12.825   2.627  28.151
  260    H2     A  24           H2         A  24  13.747  -2.313  29.655
  261   1H5*    A  25          1H5*        A  25  18.570  -4.124  24.085
  262   2H5*    A  25          2H5*        A  25  18.320  -4.670  22.427
  263    H4*    A  25           H4*        A  25  17.066  -6.131  23.766
  264    H3*    A  25           H3*        A  25  15.409  -4.128  22.310
  265    H2*    A  25           H2*        A  25  13.409  -4.861  23.333
  266   2HO*    A  25          2HO*        A  25  15.205  -6.966  23.958
  267    H1*    A  25           H1*        A  25  14.487  -4.910  25.920
  268    H8     A  25           H8         A  25  15.778  -1.961  24.030
  269   1H6     A  25          1H6         A  25  10.662   1.085  25.899
  270   2H6     A  25          2H6         A  25  12.214   1.270  25.115
  271    H2     A  25           H2         A  25  10.191  -3.204  26.960
  272   1H5*    G  26          1H5*        G  26  13.435  -7.760  22.345
  273   2H5*    G  26          2H5*        G  26  13.255  -8.392  20.710
  274    H4*    G  26           H4*        G  26  11.180  -8.752  21.719
  275    H3*    G  26           H3*        G  26  11.154  -6.384  19.893
  276    H2*    G  26           H2*        G  26   8.916  -5.885  20.421
  277   2HO*    G  26          2HO*        G  26   8.280  -8.088  20.331
  278    H1*    G  26           H1*        G  26   9.184  -6.250  23.176
  279    H8     G  26           H8         G  26  12.210  -4.641  21.623
  280    H1     G  26           H1         G  26   7.544  -0.464  23.259
  281   1H2     G  26          1H2         G  26   5.851  -1.505  23.807
  282   2H2     G  26          2H2         G  26   5.714  -3.249  23.822
  283   1H5*    A  27          1H5*        A  27   9.052  -9.836  17.307
  284   2H5*    A  27          2H5*        A  27   8.416  -8.957  15.917
  285    H4*    A  27           H4*        A  27   6.965  -9.343  18.072
  286    H3*    A  27           H3*        A  27   7.053  -6.878  16.345
  287    H2*    A  27           H2*        A  27   5.372  -5.890  17.678
  288   2HO*    A  27          2HO*        A  27   3.949  -7.363  18.392
  289    H1*    A  27           H1*        A  27   6.550  -6.713  20.111
  290    H8     A  27           H8         A  27   9.152  -5.473  17.756
  291   1H6     A  27          1H6         A  27   7.918   0.269  19.867
  292   2H6     A  27          2H6         A  27   9.019  -0.677  18.889
  293    H2     A  27           H2         A  27   4.814  -2.491  21.446
  294   1H5*    G  28          1H5*        G  28   3.304  -8.211  16.348
  295   2H5*    G  28          2H5*        G  28   2.225  -8.078  14.959
  296    H4*    G  28           H4*        G  28   1.312  -6.634  16.542
  297    H3*    G  28           H3*        G  28   2.810  -5.207  14.408
  298    H2*    G  28           H2*        G  28   2.582  -3.100  15.454
  299   2HO*    G  28          2HO*        G  28   0.636  -3.027  16.418
  300    H1*    G  28           H1*        G  28   3.334  -4.044  17.991
  301    H8     G  28           H8         G  28   5.444  -5.624  15.356
  302    H1     G  28           H1         G  28   7.456   0.288  17.051
  303   1H2     G  28          1H2         G  28   6.026   1.190  18.233
  304   2H2     G  28          2H2         G  28   4.509   0.453  18.695
  305   1H5*    G  29          1H5*        G  29  -1.788  -4.563  13.882
  306   2H5*    G  29          2H5*        G  29  -1.947  -3.650  12.382
  307    H4*    G  29           H4*        G  29  -0.985  -2.607  14.654
  308    H3*    G  29           H3*        G  29   0.294  -1.773  12.036
  309    H2*    G  29           H2*        G  29   0.442   0.269  13.204
  310   2HO*    G  29          2HO*        G  29  -1.609  -0.957  14.814
  311    H1*    G  29           H1*        G  29   0.825  -0.929  15.720
  312    H8     G  29           H8         G  29   2.641  -2.531  12.811
  313    H1     G  29           H1         G  29   5.964   2.147  15.804
  314   1H2     G  29          1H2         G  29   4.746   3.085  17.178
  315   2H2     G  29          2H2         G  29   3.073   2.666  17.476
  316   1H5*    C  30          1H5*        C  30   0.119   0.601   9.903
  317   2H5*    C  30          2H5*        C  30  -0.507   0.361  11.533
  318    H4*    C  30           H4*        C  30  -2.378   1.967  10.092
  319    H3*    C  30           H3*        C  30   0.398   2.596   9.371
  320    H2*    C  30           H2*        C  30   0.382   4.821  10.146
  321   2HO*    C  30          2HO*        C  30  -2.418   4.267  10.542
  322    H1*    C  30           H1*        C  30  -0.717   4.300  12.616
  323   1H4     C  30          1H4         C  30   5.555   3.602  13.585
  324   2H4     C  30          2H4         C  30   5.446   1.950  13.021
  325    H5     C  30           H5         C  30   3.482   0.990  12.129
  326    H6     C  30           H6         C  30   1.113   1.383  11.553
  327   1H5*    G  31          1H5*        G  31  -1.969   5.710   8.152
  328   2H5*    G  31          2H5*        G  31  -1.741   6.280   6.499
  329    H4*    G  31           H4*        G  31  -1.518   8.126   8.017
  330    H3*    G  31           H3*        G  31   1.006   7.255   6.638
  331    H2*    G  31           H2*        G  31   2.196   9.030   7.647
  332   2HO*    G  31          2HO*        G  31  -0.223   9.919   8.870
  333    H1*    G  31           H1*        G  31   1.132   8.605  10.199
  334    H8     G  31           H8         G  31   1.746   5.322   8.543
  335    H1     G  31           H1         G  31   7.056   7.884  11.210
  336   1H2     G  31          1H2         G  31   6.675   9.832  11.770
  337   2H2     G  31          2H2         G  31   5.145  10.650  11.550
  338   1H5*    A  32          1H5*        A  32   0.359  11.322   6.338
  339   2H5*    A  32          2H5*        A  32   0.395  11.961   4.694
  340    H4*    A  32           H4*        A  32   1.705  13.450   5.907
  341    H3*    A  32           H3*        A  32   3.358  11.527   4.342
  342    H2*    A  32           H2*        A  32   5.381  12.361   5.232
  343   2HO*    A  32          2HO*        A  32   5.303  14.391   6.297
  344    H1*    A  32           H1*        A  32   4.465  12.372   7.885
  345    H8     A  32           H8         A  32   3.265   9.357   6.011
  346   1H6     A  32          1H6         A  32   8.589   6.587   7.722
  347   2H6     A  32          2H6         A  32   7.030   6.322   6.974
  348    H2     A  32           H2         A  32   8.843  10.886   8.821
  349   1H5*    G  33          1H5*        G  33   4.965  15.385   4.246
  350   2H5*    G  33          2H5*        G  33   5.056  16.013   2.601
  351    H4*    G  33           H4*        G  33   7.096  16.617   3.520
  352    H3*    G  33           H3*        G  33   7.333  14.188   1.817
  353    H2*    G  33           H2*        G  33   9.608  13.857   2.380
  354   2HO*    G  33          2HO*        G  33   9.173  16.431   3.576
  355    H1*    G  33           H1*        G  33   9.177  14.211   5.139
  356    H8     G  33           H8         G  33   6.465  12.227   3.459
  357    H1     G  33           H1         G  33  11.545   8.678   5.325
  358   1H2     G  33          1H2         G  33  13.068   9.925   5.937
  359   2H2     G  33          2H2         G  33  12.983  11.672   5.943
  360   1H5*    U  34          1H5*        U  34  10.717  16.417   1.321
  361   2H5*    U  34          2H5*        U  34  10.924  16.960  -0.344
  362    H4*    U  34           H4*        U  34  13.020  16.141   0.284
  363    H3*    U  34           H3*        U  34  11.521  14.177  -1.416
  364    H2*    U  34           H2*        U  34  13.316  12.646  -1.318
  365   2HO*    U  34          2HO*        U  34  14.867  14.431   0.241
  366    H1*    U  34           H1*        U  34  13.717  12.923   1.439
  367    H3     U  34           H3         U  34  11.967   8.755   1.023
  368    H5     U  34           H5         U  34   8.667  11.295   0.581
  369    H6     U  34           H6         U  34  10.241  13.175   0.565
  370   1H5*    C  35          1H5*        C  35  15.329  14.390  -3.145
  371   2H5*    C  35          2H5*        C  35  15.195  14.815  -4.851
  372    H4*    C  35           H4*        C  35  16.564  12.915  -4.791
  373    H3*    C  35           H3*        C  35  13.757  12.239  -5.623
  374    H2*    C  35           H2*        C  35  14.368   9.979  -5.930
  375   2HO*    C  35          2HO*        C  35  16.352  10.359  -6.915
  376    H1*    C  35           H1*        C  35  15.812   9.795  -3.538
  377   1H4     C  35          1H4         C  35  10.059   7.598  -1.905
  378   2H4     C  35          2H4         C  35   9.414   9.223  -1.949
  379    H5     C  35           H5         C  35  10.656  11.115  -2.625
  380    H6     C  35           H6         C  35  12.846  11.920  -3.434
  381   1H5*    C  36          1H5*        C  36  15.999  10.541  -8.912
  382   2H5*    C  36          2H5*        C  36  15.270  11.213 -10.370
  383    H4*    C  36           H4*        C  36  15.240   8.873 -10.635
  384    H3*    C  36           H3*        C  36  12.548  10.013  -9.959
  385    H2*    C  36           H2*        C  36  11.563   7.868 -10.084
  386   2HO*    C  36          2HO*        C  36  14.178   7.151 -11.060
  387    H1*    C  36           H1*        C  36  13.621   6.626  -8.607
  388   1H4     C  36          1H4         C  36   9.178   7.626  -4.161
  389   2H4     C  36          2H4         C  36   9.400   9.356  -4.294
  390    H5     C  36           H5         C  36  10.854  10.378  -5.850
  391    H6     C  36           H6         C  36  12.469   9.990  -7.677
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   3.800  -1.629  -2.809
    2   2H5*    G   1          2H5*        G   1   4.748  -2.538  -1.633
    3    H4*    G   1           H4*        G   1   5.987  -2.421  -3.668
    4    H3*    G   1           H3*        G   1   7.104  -0.652  -1.490
    5    H2*    G   1           H2*        G   1   8.901  -0.123  -2.871
    6   2HO*    G   1          2HO*        G   1   8.437  -2.683  -3.436
    7    H1*    G   1           H1*        G   1   7.491  -0.112  -5.306
    8    H8     G   1           H8         G   1   5.442   1.579  -2.715
    9    H1     G   1           H1         G   1  10.040   5.395  -5.201
   10   1H2     G   1          1H2         G   1  11.338   4.261  -6.332
   11   2H2     G   1          2H2         G   1  11.202   2.533  -6.572
   12   1H5*    G   2          1H5*        G   2  10.446  -3.293  -2.207
   13   2H5*    G   2          2H5*        G   2  11.065  -3.745  -0.619
   14    H4*    G   2           H4*        G   2  12.868  -2.765  -1.774
   15    H3*    G   2           H3*        G   2  11.673  -0.880   0.251
   16    H2*    G   2           H2*        G   2  13.404   0.667  -0.199
   17   2HO*    G   2          2HO*        G   2  14.624  -1.081  -2.055
   18    H1*    G   2           H1*        G   2  13.231   0.375  -2.986
   19    H8     G   2           H8         G   2   9.946   0.405  -1.104
   20    H1     G   2           H1         G   2  12.012   6.238  -3.003
   21   1H2     G   2          1H2         G   2  13.916   6.076  -3.774
   22   2H2     G   2          2H2         G   2  14.820   4.583  -3.890
   23   1H5*    A   3          1H5*        A   3  15.924  -1.087   1.373
   24   2H5*    A   3          2H5*        A   3  15.941  -1.086   3.137
   25    H4*    A   3           H4*        A   3  17.263   0.748   2.248
   26    H3*    A   3           H3*        A   3  14.755   1.521   3.742
   27    H2*    A   3           H2*        A   3  15.456   3.777   3.650
   28   2HO*    A   3          2HO*        A   3  17.610   3.800   3.947
   29    H1*    A   3           H1*        A   3  16.225   3.652   0.953
   30    H8     A   3           H8         A   3  13.061   1.756   1.691
   31   1H6     A   3          1H6         A   3  10.026   7.081   0.515
   32   2H6     A   3          2H6         A   3   9.821   5.371   0.826
   33    H2     A   3           H2         A   3  14.383   7.951   0.590
   34   1H5*    C   4          1H5*        C   4  17.985   3.166   5.740
   35   2H5*    C   4          2H5*        C   4  17.922   3.080   7.500
   36    H4*    C   4           H4*        C   4  18.213   5.363   6.849
   37    H3*    C   4           H3*        C   4  15.485   4.718   7.955
   38    H2*    C   4           H2*        C   4  14.929   7.015   7.879
   39   2HO*    C   4          2HO*        C   4  17.313   7.291   8.525
   40    H1*    C   4           H1*        C   4  15.960   7.415   5.308
   41   1H4     C   4          1H4         C   4   9.759   6.264   4.330
   42   2H4     C   4          2H4         C   4  10.061   4.547   4.480
   43    H5     C   4           H5         C   4  12.154   3.626   5.067
   44    H6     C   4           H6         C   4  14.497   4.129   5.661
   45   1H5*    U   5          1H5*        U   5  17.121   7.808   9.968
   46   2H5*    U   5          2H5*        U   5  17.136   7.722  11.730
   47    H4*    U   5           H4*        U   5  16.242   9.829  11.183
   48    H3*    U   5           H3*        U   5  14.138   7.876  12.065
   49    H2*    U   5           H2*        U   5  12.476   9.546  11.881
   50   2HO*    U   5          2HO*        U   5  14.313  11.518  11.071
   51    H1*    U   5           H1*        U   5  13.354  10.468   9.387
   52    H3     U   5           H3         U   5   9.432   8.394   8.429
   53    H5     U   5           H5         U   5  12.136   5.245   8.990
   54    H6     U   5           H6         U   5  13.771   6.914   9.736
   55   1H5*    C   6          1H5*        C   6  13.745  11.274  14.197
   56   2H5*    C   6          2H5*        C   6  13.581  11.140  15.948
   57    H4*    C   6           H4*        C   6  11.752  12.425  15.239
   58    H3*    C   6           H3*        C   6  10.940   9.579  15.802
   59    H2*    C   6           H2*        C   6   8.682  10.163  15.419
   60   2HO*    C   6          2HO*        C   6   8.278  12.169  16.137
   61    H1*    C   6           H1*        C   6   9.218  11.646  13.104
   62   1H4     C   6          1H4         C   6   7.681   5.884  10.846
   63   2H4     C   6          2H4         C   6   9.257   5.280  11.304
   64    H5     C   6           H5         C   6  10.861   6.549  12.485
   65    H6     C   6           H6         C   6  11.352   8.732  13.529
   66   1H5*    G   7          1H5*        G   7   8.553  12.252  17.936
   67   2H5*    G   7          2H5*        G   7   8.480  11.900  19.661
   68    H4*    G   7           H4*        G   7   6.260  12.232  19.070
   69    H3*    G   7           H3*        G   7   6.930   9.341  19.305
   70    H2*    G   7           H2*        G   7   4.808   8.649  18.537
   71   2HO*    G   7          2HO*        G   7   3.129  10.125  18.697
   72    H1*    G   7           H1*        G   7   4.776  10.528  16.410
   73    H8     G   7           H8         G   7   8.069   8.792  16.743
   74    H1     G   7           H1         G   7   3.711   5.445  13.326
   75   1H2     G   7          1H2         G   7   1.861   6.338  13.506
   76   2H2     G   7          2H2         G   7   1.539   7.779  14.442
   77   1H5*    G   8          1H5*        G   8   4.304  11.558  22.281
   78   2H5*    G   8          2H5*        G   8   4.258  11.193  24.005
   79    H4*    G   8           H4*        G   8   2.883   9.606  22.896
   80    H3*    G   8           H3*        G   8   5.526   8.247  23.552
   81    H2*    G   8           H2*        G   8   4.265   6.254  23.398
   82   2HO*    G   8          2HO*        G   8   2.027   8.071  23.387
   83    H1*    G   8           H1*        G   8   2.792   7.102  21.164
   84    H8     G   8           H8         G   8   6.309   8.227  20.776
   85    H1     G   8           H1         G   8   5.437   2.020  19.170
   86   1H2     G   8          1H2         G   8   3.562   1.409  19.773
   87   2H2     G   8          2H2         G   8   2.398   2.428  20.593
   88   1H5*    C   9          1H5*        C   9   2.635   7.201  25.862
   89   2H5*    C   9          2H5*        C   9   2.697   6.643  27.534
   90    H4*    C   9           H4*        C   9   1.773   4.912  26.155
   91    H3*    C   9           H3*        C   9   4.534   4.347  27.222
   92    H2*    C   9           H2*        C   9   4.416   2.164  26.327
   93   2HO*    C   9          2HO*        C   9   1.841   2.457  25.289
   94    H1*    C   9           H1*        C   9   3.393   2.979  23.854
   95   1H4     C   9          1H4         C   9   9.725   2.594  23.028
   96   2H4     C   9          2H4         C   9   9.864   4.256  23.554
   97    H5     C   9           H5         C   9   8.058   5.527  24.393
   98    H6     C   9           H6         C   9   5.649   5.513  24.939
   99   1H5*    U  10          1H5*        U  10   2.391   1.167  27.993
  100   2H5*    U  10          2H5*        U  10   2.097   0.876  29.707
  101    H4*    U  10           H4*        U  10   2.655  -1.220  28.895
  102    H3*    U  10           H3*        U  10   4.994   0.071  30.229
  103    H2*    U  10           H2*        U  10   6.421  -1.730  29.687
  104   2HO*    U  10          2HO*        U  10   4.334  -3.133  28.395
  105    H1*    U  10           H1*        U  10   5.603  -1.899  27.021
  106    H3     U  10           H3         U  10   9.864  -0.220  27.027
  107    H5     U  10           H5         U  10   7.386   3.096  27.654
  108    H6     U  10           H6         U  10   5.520   1.527  27.917
  109   1H5*    U  11          1H5*        U  11   4.803  -3.748  31.454
  110   2H5*    U  11          2H5*        U  11   4.797  -4.060  33.190
  111    H4*    U  11           H4*        U  11   6.507  -5.405  32.324
  112    H3*    U  11           H3*        U  11   7.600  -2.929  33.632
  113    H2*    U  11           H2*        U  11   9.807  -3.673  33.226
  114   2HO*    U  11          2HO*        U  11   9.759  -5.827  33.582
  115    H1*    U  11           H1*        U  11   9.315  -4.419  30.573
  116    H3     U  11           H3         U  11  11.877  -0.734  30.026
  117    H5     U  11           H5         U  11   8.197   0.806  31.301
  118    H6     U  11           H6         U  11   7.467  -1.506  31.668
  119   1H5*    G  12          1H5*        G  12   9.504  -6.238  35.039
  120   2H5*    G  12          2H5*        G  12   9.607  -6.405  36.792
  121    H4*    G  12           H4*        G  12  11.791  -6.730  36.045
  122    H3*    G  12           H3*        G  12  11.414  -3.941  37.095
  123    H2*    G  12           H2*        G  12  13.663  -3.424  36.652
  124   2HO*    G  12          2HO*        G  12  14.774  -5.640  35.806
  125    H1*    G  12           H1*        G  12  13.766  -4.638  34.144
  126    H8     G  12           H8         G  12  10.559  -2.828  35.101
  127    H1     G  12           H1         G  12  14.861   0.769  31.870
  128   1H2     G  12          1H2         G  12  16.608  -0.300  31.627
  129   2H2     G  12          2H2         G  12  16.868  -1.927  32.213
  130   1H5*    C  13          1H5*        C  13  14.587  -5.585  39.006
  131   2H5*    C  13          2H5*        C  13  14.824  -5.243  40.720
  132    H4*    C  13           H4*        C  13  16.737  -4.454  39.550
  133    H3*    C  13           H3*        C  13  14.923  -2.220  40.466
  134    H2*    C  13           H2*        C  13  16.583  -0.672  39.806
  135   2HO*    C  13          2HO*        C  13  18.033  -3.103  39.911
  136    H1*    C  13           H1*        C  13  17.109  -1.926  37.360
  137   1H4     C  13          1H4         C  13  12.825   2.523  35.792
  138   2H4     C  13          2H4         C  13  11.555   1.576  36.534
  139    H5     C  13           H5         C  13  11.930  -0.439  37.708
  140    H6     C  13           H6         C  13  13.635  -2.057  38.466
  141   1H5*    U  14          1H5*        U  14  18.518  -1.530  41.922
  142   2H5*    U  14          2H5*        U  14  18.682  -0.933  43.573
  143    H4*    U  14           H4*        U  14  19.692   0.651  42.111
  144    H3*    U  14           H3*        U  14  17.072   1.559  43.284
  145    H2*    U  14           H2*        U  14  17.357   3.677  42.273
  146   2HO*    U  14          2HO*        U  14  19.476   4.175  41.458
  147    H1*    U  14           H1*        U  14  18.153   2.631  39.794
  148    H3     U  14           H3         U  14  14.055   4.330  38.878
  149    H5     U  14           H5         U  14  13.230   0.844  41.046
  150    H6     U  14           H6         U  14  15.640   0.644  41.451
  151   1H5*    G  15          1H5*        G  15  20.050   4.489  44.191
  152   2H5*    G  15          2H5*        G  15  20.005   4.904  45.904
  153    H4*    G  15           H4*        G  15  19.964   6.959  44.814
  154    H3*    G  15           H3*        G  15  17.207   6.160  45.691
  155    H2*    G  15           H2*        G  15  16.314   8.170  44.836
  156   2HO*    G  15          2HO*        G  15  17.750   9.886  44.491
  157    H1*    G  15           H1*        G  15  17.703   8.045  42.412
  158    H8     G  15           H8         G  15  16.550   4.660  43.561
  159    H1     G  15           H1         G  15  12.084   7.971  40.247
  160   1H2     G  15          1H2         G  15  12.734   9.907  39.959
  161   2H2     G  15          2H2         G  15  14.262  10.539  40.531
  162   1H5*    G  16          1H5*        G  16  17.296   9.648  47.442
  163   2H5*    G  16          2H5*        G  16  16.410   9.744  48.963
  164    H4*    G  16           H4*        G  16  15.229  10.869  47.145
  165    H3*    G  16           H3*        G  16  13.831   8.378  48.177
  166    H2*    G  16           H2*        G  16  11.895   9.233  47.122
  167   2HO*    G  16          2HO*        G  16  11.905  11.482  46.570
  168    H1*    G  16           H1*        G  16  13.249  10.037  44.802
  169    H8     G  16           H8         G  16  14.458   6.756  46.202
  170    H1     G  16           H1         G  16   9.422   6.222  42.174
  171   1H2     G  16          1H2         G  16   8.694   8.099  41.729
  172   2H2     G  16          2H2         G  16   9.350   9.595  42.354
  173   1H5*    A  17          1H5*        A  17  11.306   7.630  49.364
  174   2H5*    A  17          2H5*        A  17  10.582   8.335  47.919
  175    H4*    A  17           H4*        A  17   9.160   7.307  49.951
  176    H3*    A  17           H3*        A  17   8.443   9.519  48.033
  177    H2*    A  17           H2*        A  17   6.319   9.686  49.058
  178   2HO*    A  17          2HO*        A  17   7.225   7.295  50.386
  179    H1*    A  17           H1*        A  17   7.332   9.571  51.673
  180    H8     A  17           H8         A  17   9.755  11.700  50.029
  181   1H6     A  17          1H6         A  17   5.672  16.411  50.311
  182   2H6     A  17          2H6         A  17   7.343  16.001  50.000
  183    H2     A  17           H2         A  17   3.516  12.644  51.262
  184   1H5*    G  18          1H5*        G  18   3.887   8.822  47.474
  185   2H5*    G  18          2H5*        G  18   4.375   8.263  45.875
  186    H4*    G  18           H4*        G  18   3.183  10.414  45.817
  187    H3*    G  18           H3*        G  18   5.931  10.129  44.725
  188    H2*    G  18           H2*        G  18   6.161  12.437  44.277
  189   2HO*    G  18          2HO*        G  18   3.481  12.076  44.256
  190    H1*    G  18           H1*        G  18   5.238  13.277  46.766
  191    H8     G  18           H8         G  18   7.465  10.213  46.117
  192    H1     G  18           H1         G  18  10.456  15.369  48.639
  193   1H2     G  18          1H2         G  18   9.107  16.915  48.845
  194   2H2     G  18          2H2         G  18   7.418  16.828  48.400
  195   1H5*    A  19          1H5*        A  19   3.353  12.007  42.220
  196   2H5*    A  19          2H5*        A  19   3.087  11.541  40.540
  197    H4*    A  19           H4*        A  19   3.495  13.772  40.292
  198    H3*    A  19           H3*        A  19   5.935  12.227  39.785
  199    H2*    A  19           H2*        A  19   7.443  14.041  39.936
  200   2HO*    A  19          2HO*        A  19   6.587  16.115  39.744
  201    H1*    A  19           H1*        A  19   6.397  15.028  42.329
  202    H8     A  19           H8         A  19   7.024  11.391  41.247
  203   1H6     A  19          1H6         A  19  11.553  11.442  45.542
  204   2H6     A  19          2H6         A  19  10.754  10.458  44.336
  205    H2     A  19           H2         A  19   9.596  15.432  45.535
  206   1H5*    C  20          1H5*        C  20   6.206  11.329  35.009
  207   2H5*    C  20          2H5*        C  20   5.993  10.648  36.622
  208    H4*    C  20           H4*        C  20   7.280  13.340  36.227
  209    H3*    C  20           H3*        C  20   8.512  10.681  35.680
  210    H2*    C  20           H2*        C  20  10.473  11.216  36.886
  211   2HO*    C  20          2HO*        C  20   9.211  13.784  36.762
  212    H1*    C  20           H1*        C  20   9.100  12.252  39.097
  213   1H4     C  20          1H4         C  20  10.422   6.114  40.427
  214   2H4     C  20          2H4         C  20   8.803   5.717  39.900
  215    H5     C  20           H5         C  20   7.330   7.264  38.891
  216    H6     C  20           H6         C  20   7.046   9.596  38.134
  217   1H5*    G  21          1H5*        G  21  11.355  13.570  35.089
  218   2H5*    G  21          2H5*        G  21  11.869  13.668  33.405
  219    H4*    G  21           H4*        G  21  13.853  13.798  34.610
  220    H3*    G  21           H3*        G  21  13.409  11.068  33.490
  221    H2*    G  21           H2*        G  21  15.355  10.214  34.523
  222   2HO*    G  21          2HO*        G  21  15.781  12.943  35.340
  223    H1*    G  21           H1*        G  21  14.801  11.437  37.010
  224    H8     G  21           H8         G  21  11.728   9.959  35.481
  225    H1     G  21           H1         G  21  15.325   5.665  38.723
  226   1H2     G  21          1H2         G  21  17.138   6.515  39.214
  227   2H2     G  21          2H2         G  21  17.613   8.149  38.808
  228   1H5*    G  22          1H5*        G  22  17.300  11.760  32.802
  229   2H5*    G  22          2H5*        G  22  17.815  11.501  31.135
  230    H4*    G  22           H4*        G  22  19.187  10.145  32.509
  231    H3*    G  22           H3*        G  22  17.092   8.542  31.042
  232    H2*    G  22           H2*        G  22  18.118   6.562  31.823
  233   2HO*    G  22          2HO*        G  22  20.221   7.187  33.141
  234    H1*    G  22           H1*        G  22  18.446   7.518  34.447
  235    H8     G  22           H8         G  22  15.138   8.547  33.051
  236    H1     G  22           H1         G  22  15.169   2.544  35.471
  237   1H2     G  22          1H2         G  22  17.109   1.978  35.885
  238   2H2     G  22          2H2         G  22  18.517   2.981  35.616
  239   1H5*    C  23          1H5*        C  23  20.720   6.981  30.173
  240   2H5*    C  23          2H5*        C  23  21.086   6.804  28.458
  241    H4*    C  23           H4*        C  23  21.576   4.719  29.379
  242    H3*    C  23           H3*        C  23  18.880   4.686  28.047
  243    H2*    C  23           H2*        C  23  18.661   2.382  28.525
  244   2HO*    C  23          2HO*        C  23  21.135   2.430  28.102
  245    H1*    C  23           H1*        C  23  19.549   2.631  31.180
  246   1H4     C  23          1H4         C  23  13.195   2.784  31.698
  247   2H4     C  23          2H4         C  23  13.188   4.443  31.143
  248    H5     C  23           H5         C  23  15.116   5.594  30.410
  249    H6     C  23           H6         C  23  17.549   5.433  30.025
  250   1H5*    A  24          1H5*        A  24  21.461   1.600  26.711
  251   2H5*    A  24          2H5*        A  24  21.426   1.308  24.972
  252    H4*    A  24           H4*        A  24  21.144  -0.794  25.976
  253    H3*    A  24           H3*        A  24  18.630   0.330  24.828
  254    H2*    A  24           H2*        A  24  17.338  -1.495  25.593
  255   2HO*    A  24          2HO*        A  24  18.422  -3.394  26.042
  256    H1*    A  24           H1*        A  24  18.434  -1.475  28.174
  257    H8     A  24           H8         A  24  17.844   1.961  26.752
  258   1H6     A  24          1H6         A  24  12.157   1.632  29.301
  259   2H6     A  24          2H6         A  24  13.285   2.691  28.485
  260    H2     A  24           H2         A  24  14.096  -2.344  29.713
  261   1H5*    A  25          1H5*        A  25  19.272  -3.776  23.567
  262   2H5*    A  25          2H5*        A  25  18.558  -4.168  22.003
  263    H4*    A  25           H4*        A  25  17.684  -5.604  23.760
  264    H3*    A  25           H3*        A  25  15.803  -3.758  22.343
  265    H2*    A  25           H2*        A  25  13.972  -4.512  23.635
  266   2HO*    A  25          2HO*        A  25  14.532  -6.693  23.638
  267    H1*    A  25           H1*        A  25  15.338  -4.354  26.076
  268    H8     A  25           H8         A  25  16.274  -1.478  23.888
  269   1H6     A  25          1H6         A  25  11.258   1.471  26.144
  270   2H6     A  25          2H6         A  25  12.705   1.669  25.182
  271    H2     A  25           H2         A  25  11.104  -2.761  27.489
  272   1H5*    G  26          1H5*        G  26  13.672  -6.975  22.756
  273   2H5*    G  26          2H5*        G  26  13.357  -7.788  21.223
  274    H4*    G  26           H4*        G  26  11.281  -7.717  22.278
  275    H3*    G  26           H3*        G  26  11.474  -5.456  20.286
  276    H2*    G  26           H2*        G  26   9.206  -4.958  20.694
  277   2HO*    G  26          2HO*        G  26   7.972  -6.692  21.179
  278    H1*    G  26           H1*        G  26   9.354  -5.146  23.453
  279    H8     G  26           H8         G  26  12.521  -3.787  21.917
  280    H1     G  26           H1         G  26   8.039   0.705  23.194
  281   1H2     G  26          1H2         G  26   6.281  -0.217  23.755
  282   2H2     G  26          2H2         G  26   6.055  -1.948  23.862
  283   1H5*    A  27          1H5*        A  27   8.863  -8.550  18.957
  284   2H5*    A  27          2H5*        A  27   8.136  -8.538  17.350
  285    H4*    A  27           H4*        A  27   6.656  -7.773  19.233
  286    H3*    A  27           H3*        A  27   7.146  -5.929  16.877
  287    H2*    A  27           H2*        A  27   5.359  -4.614  17.675
  288   2HO*    A  27          2HO*        A  27   4.256  -5.807  19.648
  289    H1*    A  27           H1*        A  27   6.121  -4.823  20.378
  290    H8     A  27           H8         A  27   9.135  -4.334  18.256
  291   1H6     A  27          1H6         A  27   8.031   1.799  18.596
  292   2H6     A  27          2H6         A  27   9.195   0.595  18.091
  293    H2     A  27           H2         A  27   4.518  -0.340  20.276
  294   1H5*    G  28          1H5*        G  28   3.295  -7.394  16.748
  295   2H5*    G  28          2H5*        G  28   2.374  -7.438  15.244
  296    H4*    G  28           H4*        G  28   1.309  -5.860  16.635
  297    H3*    G  28           H3*        G  28   2.813  -4.716  14.347
  298    H2*    G  28           H2*        G  28   2.508  -2.481  15.050
  299   2HO*    G  28          2HO*        G  28   0.889  -2.083  16.606
  300    H1*    G  28           H1*        G  28   3.194  -3.030  17.733
  301    H8     G  28           H8         G  28   5.488  -4.817  15.408
  302    H1     G  28           H1         G  28   7.114   1.376  16.352
  303   1H2     G  28          1H2         G  28   5.590   2.343  17.350
  304   2H2     G  28          2H2         G  28   4.095   1.589  17.855
  305   1H5*    G  29          1H5*        G  29  -1.777  -4.279  13.498
  306   2H5*    G  29          2H5*        G  29  -1.817  -3.591  11.875
  307    H4*    G  29           H4*        G  29  -1.054  -2.248  14.097
  308    H3*    G  29           H3*        G  29   0.232  -1.651  11.412
  309    H2*    G  29           H2*        G  29   0.368   0.495  12.360
  310   2HO*    G  29          2HO*        G  29  -2.027  -0.373  13.188
  311    H1*    G  29           H1*        G  29   0.712  -0.417  15.005
  312    H8     G  29           H8         G  29   2.629  -2.309  12.356
  313    H1     G  29           H1         G  29   5.774   2.792  14.799
  314   1H2     G  29          1H2         G  29   4.502   3.868  16.014
  315   2H2     G  29          2H2         G  29   2.832   3.450  16.325
  316   1H5*    C  30          1H5*        C  30  -0.035   0.573   9.061
  317   2H5*    C  30          2H5*        C  30  -0.594   0.398  10.723
  318    H4*    C  30           H4*        C  30  -2.576   1.842   9.245
  319    H3*    C  30           H3*        C  30   0.148   2.548   8.431
  320    H2*    C  30           H2*        C  30   0.089   4.797   9.132
  321   2HO*    C  30          2HO*        C  30  -2.295   4.596   8.414
  322    H1*    C  30           H1*        C  30  -0.916   4.329  11.650
  323   1H4     C  30          1H4         C  30   5.396   3.826  12.459
  324   2H4     C  30          2H4         C  30   5.324   2.162  11.924
  325    H5     C  30           H5         C  30   3.365   1.128  11.104
  326    H6     C  30           H6         C  30   0.969   1.439  10.593
  327   1H5*    G  31          1H5*        G  31  -2.326   5.502   7.170
  328   2H5*    G  31          2H5*        G  31  -2.110   6.145   5.543
  329    H4*    G  31           H4*        G  31  -1.871   7.931   7.115
  330    H3*    G  31           H3*        G  31   0.709   7.085   5.805
  331    H2*    G  31           H2*        G  31   1.799   8.913   6.835
  332   2HO*    G  31          2HO*        G  31  -0.872   9.669   6.857
  333    H1*    G  31           H1*        G  31   0.636   8.500   9.343
  334    H8     G  31           H8         G  31   1.409   5.213   7.757
  335    H1     G  31           H1         G  31   6.514   7.936  10.654
  336   1H2     G  31          1H2         G  31   6.056   9.877  11.175
  337   2H2     G  31          2H2         G  31   4.517  10.653  10.872
  338   1H5*    A  32          1H5*        A  32  -0.110  11.104   5.376
  339   2H5*    A  32          2H5*        A  32   0.056  11.770   3.752
  340    H4*    A  32           H4*        A  32   1.207  13.270   5.110
  341    H3*    A  32           H3*        A  32   3.049  11.429   3.653
  342    H2*    A  32           H2*        A  32   4.958  12.331   4.714
  343   2HO*    A  32          2HO*        A  32   3.049  14.313   5.049
  344    H1*    A  32           H1*        A  32   3.838  12.266   7.282
  345    H8     A  32           H8         A  32   2.863   9.231   5.328
  346   1H6     A  32          1H6         A  32   8.176   6.634   7.322
  347   2H6     A  32          2H6         A  32   6.670   6.320   6.489
  348    H2     A  32           H2         A  32   8.226  10.933   8.442
  349   1H5*    G  33          1H5*        G  33   4.597  15.301   3.709
  350   2H5*    G  33          2H5*        G  33   4.748  15.942   2.073
  351    H4*    G  33           H4*        G  33   6.738  16.570   3.075
  352    H3*    G  33           H3*        G  33   7.082  14.152   1.375
  353    H2*    G  33           H2*        G  33   9.333  13.845   2.035
  354   2HO*    G  33          2HO*        G  33   9.079  16.432   2.275
  355    H1*    G  33           H1*        G  33   8.780  14.179   4.774
  356    H8     G  33           H8         G  33   6.158  12.173   2.988
  357    H1     G  33           H1         G  33  11.214   8.674   5.001
  358   1H2     G  33          1H2         G  33  12.702   9.934   5.670
  359   2H2     G  33          2H2         G  33  12.596  11.680   5.684
  360   1H5*    U  34          1H5*        U  34  10.373  16.446   0.834
  361   2H5*    U  34          2H5*        U  34  10.583  17.029  -0.817
  362    H4*    U  34           H4*        U  34  12.682  16.218  -0.231
  363    H3*    U  34           H3*        U  34  11.189  14.222  -1.899
  364    H2*    U  34           H2*        U  34  13.003  12.714  -1.807
  365   2HO*    U  34          2HO*        U  34  14.842  13.979  -0.381
  366    H1*    U  34           H1*        U  34  13.433  13.024   0.943
  367    H3     U  34           H3         U  34  11.726   8.839   0.711
  368    H5     U  34           H5         U  34   8.407  11.305   0.039
  369    H6     U  34           H6         U  34   9.955  13.206  -0.012
  370   1H5*    C  35          1H5*        C  35  14.854  14.532  -3.588
  371   2H5*    C  35          2H5*        C  35  14.867  14.842  -5.325
  372    H4*    C  35           H4*        C  35  16.184  12.931  -5.039
  373    H3*    C  35           H3*        C  35  13.411  12.143  -5.940
  374    H2*    C  35           H2*        C  35  14.181   9.923  -6.186
  375   2HO*    C  35          2HO*        C  35  16.504   9.614  -6.164
  376    H1*    C  35           H1*        C  35  15.578   9.888  -3.762
  377   1H4     C  35          1H4         C  35   9.932   7.391  -2.187
  378   2H4     C  35          2H4         C  35   9.193   8.973  -2.283
  379    H5     C  35           H5         C  35  10.335  10.919  -2.981
  380    H6     C  35           H6         C  35  12.490  11.833  -3.768
  381   1H5*    C  36          1H5*        C  36  15.942  10.652  -9.032
  382   2H5*    C  36          2H5*        C  36  15.267  11.094 -10.598
  383    H4*    C  36           H4*        C  36  15.554   8.764 -10.658
  384    H3*    C  36           H3*        C  36  12.684   9.541 -10.228
  385    H2*    C  36           H2*        C  36  12.041   7.267 -10.289
  386   2HO*    C  36          2HO*        C  36  14.800   6.748 -10.922
  387    H1*    C  36           H1*        C  36  14.115   6.413  -8.601
  388   1H4     C  36          1H4         C  36   9.270   7.177  -4.542
  389   2H4     C  36          2H4         C  36   9.352   8.913  -4.741
  390    H5     C  36           H5         C  36  10.820   9.998  -6.241
  391    H6     C  36           H6         C  36  12.589   9.679  -7.934
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   5.080  -2.364  -2.389
    2   2H5*    G   1          2H5*        G   1   6.099  -3.346  -1.337
    3    H4*    G   1           H4*        G   1   7.229  -3.296  -3.378
    4    H3*    G   1           H3*        G   1   8.430  -1.372  -1.411
    5    H2*    G   1           H2*        G   1  10.027  -0.677  -2.977
    6   2HO*    G   1          2HO*        G   1   9.860  -3.185  -3.534
    7    H1*    G   1           H1*        G   1   8.278  -0.653  -5.185
    8    H8     G   1           H8         G   1   6.448   0.818  -2.346
    9    H1     G   1           H1         G   1  10.667   4.954  -4.987
   10   1H2     G   1          1H2         G   1  11.916   3.935  -6.275
   11   2H2     G   1          2H2         G   1  11.831   2.217  -6.592
   12   1H5*    G   2          1H5*        G   2  12.022  -3.408  -2.640
   13   2H5*    G   2          2H5*        G   2  12.837  -3.812  -1.129
   14    H4*    G   2           H4*        G   2  14.324  -2.495  -2.441
   15    H3*    G   2           H3*        G   2  13.146  -0.949  -0.124
   16    H2*    G   2           H2*        G   2  14.694   0.776  -0.585
   17   2HO*    G   2          2HO*        G   2  16.355  -0.848  -0.954
   18    H1*    G   2           H1*        G   2  14.307   0.648  -3.375
   19    H8     G   2           H8         G   2  11.203   0.355  -1.232
   20    H1     G   2           H1         G   2  12.765   6.416  -2.876
   21   1H2     G   2          1H2         G   2  14.605   6.425  -3.807
   22   2H2     G   2          2H2         G   2  15.580   5.002  -4.098
   23   1H5*    A   3          1H5*        A   3  17.218  -0.695   0.951
   24   2H5*    A   3          2H5*        A   3  17.285  -0.639   2.712
   25    H4*    A   3           H4*        A   3  18.043   1.443   1.578
   26    H3*    A   3           H3*        A   3  15.636   1.707   3.415
   27    H2*    A   3           H2*        A   3  16.127   4.016   3.430
   28   2HO*    A   3          2HO*        A   3  18.581   2.855   2.728
   29    H1*    A   3           H1*        A   3  16.713   4.155   0.694
   30    H8     A   3           H8         A   3  13.826   1.869   1.469
   31   1H6     A   3          1H6         A   3  10.167   6.893   0.887
   32   2H6     A   3          2H6         A   3  10.168   5.154   1.079
   33    H2     A   3           H2         A   3  14.401   8.236   0.773
   34   1H5*    C   4          1H5*        C   4  18.703   3.625   5.771
   35   2H5*    C   4          2H5*        C   4  18.266   3.430   7.468
   36    H4*    C   4           H4*        C   4  18.344   5.790   6.679
   37    H3*    C   4           H3*        C   4  15.713   4.740   7.761
   38    H2*    C   4           H2*        C   4  15.006   6.992   7.877
   39   2HO*    C   4          2HO*        C   4  16.631   8.606   7.855
   40    H1*    C   4           H1*        C   4  16.053   7.686   5.372
   41   1H4     C   4          1H4         C   4   9.922   6.278   4.249
   42   2H4     C   4          2H4         C   4  10.354   4.586   4.126
   43    H5     C   4           H5         C   4  12.514   3.743   4.573
   44    H6     C   4           H6         C   4  14.816   4.321   5.254
   45   1H5*    U   5          1H5*        U   5  17.194   7.741  10.033
   46   2H5*    U   5          2H5*        U   5  17.020   7.651  11.786
   47    H4*    U   5           H4*        U   5  16.120   9.734  11.009
   48    H3*    U   5           H3*        U   5  14.061   7.758  11.982
   49    H2*    U   5           H2*        U   5  12.397   9.422  11.755
   50   2HO*    U   5          2HO*        U   5  14.687  11.101  11.265
   51    H1*    U   5           H1*        U   5  13.273  10.280   9.239
   52    H3     U   5           H3         U   5   9.298   8.136   8.547
   53    H5     U   5           H5         U   5  12.146   5.072   8.760
   54    H6     U   5           H6         U   5  13.771   6.767   9.466
   55   1H5*    C   6          1H5*        C   6  13.635  11.228  14.124
   56   2H5*    C   6          2H5*        C   6  13.577  11.032  15.875
   57    H4*    C   6           H4*        C   6  11.710  12.340  15.323
   58    H3*    C   6           H3*        C   6  10.932   9.475  15.838
   59    H2*    C   6           H2*        C   6   8.655  10.068  15.613
   60   2HO*    C   6          2HO*        C   6   9.043  12.044  16.803
   61    H1*    C   6           H1*        C   6   9.042  11.610  13.312
   62   1H4     C   6          1H4         C   6   7.411   5.866  11.062
   63   2H4     C   6          2H4         C   6   9.051   5.309  11.306
   64    H5     C   6           H5         C   6  10.736   6.599  12.344
   65    H6     C   6           H6         C   6  11.268   8.761  13.411
   66   1H5*    G   7          1H5*        G   7   8.849  12.380  18.299
   67   2H5*    G   7          2H5*        G   7   8.672  11.836  19.966
   68    H4*    G   7           H4*        G   7   6.553  12.620  19.267
   69    H3*    G   7           H3*        G   7   6.753   9.641  19.485
   70    H2*    G   7           H2*        G   7   4.508   9.370  18.798
   71   2HO*    G   7          2HO*        G   7   3.321  11.513  18.534
   72    H1*    G   7           H1*        G   7   4.718  11.173  16.656
   73    H8     G   7           H8         G   7   7.826   9.133  16.908
   74    H1     G   7           H1         G   7   3.012   6.105  13.819
   75   1H2     G   7          1H2         G   7   1.263   7.170  14.057
   76   2H2     G   7          2H2         G   7   1.122   8.662  14.958
   77   1H5*    G   8          1H5*        G   8   2.520   9.734  19.878
   78   2H5*    G   8          2H5*        G   8   2.641  10.200  21.573
   79    H4*    G   8           H4*        G   8   0.947   8.576  21.472
   80    H3*    G   8           H3*        G   8   3.508   7.585  22.630
   81    H2*    G   8           H2*        G   8   2.694   5.374  22.841
   82   2HO*    G   8          2HO*        G   8   0.211   6.452  21.866
   83    H1*    G   8           H1*        G   8   1.638   5.283  20.248
   84    H8     G   8           H8         G   8   4.883   7.112  20.213
   85    H1     G   8           H1         G   8   5.564   0.676  20.132
   86   1H2     G   8          1H2         G   8   3.744  -0.214  20.513
   87   2H2     G   8          2H2         G   8   2.254   0.654  20.811
   88   1H5*    C   9          1H5*        C   9   0.691   5.870  24.713
   89   2H5*    C   9          2H5*        C   9   1.024   5.541  26.413
   90    H4*    C   9           H4*        C   9   0.843   3.511  24.989
   91    H3*    C   9           H3*        C   9   3.562   3.927  26.288
   92    H2*    C   9           H2*        C   9   3.816   1.598  25.976
   93   2HO*    C   9          2HO*        C   9   1.072   1.525  25.156
   94    H1*    C   9           H1*        C   9   2.689   1.574  23.420
   95   1H4     C   9          1H4         C   9   8.979   2.108  22.427
   96   2H4     C   9          2H4         C   9   8.838   3.843  22.597
   97    H5     C   9           H5         C   9   6.845   4.945  23.223
   98    H6     C   9           H6         C   9   4.474   4.650  23.847
   99   1H5*    U  10          1H5*        U  10   1.585   0.830  27.943
  100   2H5*    U  10          2H5*        U  10   1.554   0.758  29.706
  101    H4*    U  10           H4*        U  10   2.136  -1.401  28.982
  102    H3*    U  10           H3*        U  10   4.465   0.145  30.056
  103    H2*    U  10           H2*        U  10   5.931  -1.665  29.654
  104   2HO*    U  10          2HO*        U  10   3.460  -2.868  29.771
  105    H1*    U  10           H1*        U  10   4.987  -2.161  27.068
  106    H3     U  10           H3         U  10   9.193  -0.401  26.648
  107    H5     U  10           H5         U  10   6.661   2.912  27.049
  108    H6     U  10           H6         U  10   4.856   1.342  27.587
  109   1H5*    U  11          1H5*        U  11   4.429  -3.571  31.644
  110   2H5*    U  11          2H5*        U  11   4.476  -3.702  33.402
  111    H4*    U  11           H4*        U  11   6.139  -5.156  32.610
  112    H3*    U  11           H3*        U  11   7.279  -2.598  33.690
  113    H2*    U  11           H2*        U  11   9.476  -3.363  33.273
  114   2HO*    U  11          2HO*        U  11   9.265  -5.763  32.291
  115    H1*    U  11           H1*        U  11   8.916  -4.294  30.696
  116    H3     U  11           H3         U  11  11.462  -0.622  29.927
  117    H5     U  11           H5         U  11   7.725   0.946  30.980
  118    H6     U  11           H6         U  11   7.030  -1.341  31.529
  119   1H5*    G  12          1H5*        G  12   9.179  -5.892  35.193
  120   2H5*    G  12          2H5*        G  12   9.383  -5.966  36.944
  121    H4*    G  12           H4*        G  12  11.495  -6.442  36.051
  122    H3*    G  12           H3*        G  12  11.299  -3.644  37.102
  123    H2*    G  12           H2*        G  12  13.496  -3.157  36.448
  124   2HO*    G  12          2HO*        G  12  13.520  -5.890  36.785
  125    H1*    G  12           H1*        G  12  13.377  -4.427  33.961
  126    H8     G  12           H8         G  12  10.281  -2.540  35.101
  127    H1     G  12           H1         G  12  14.432   0.938  31.556
  128   1H2     G  12          1H2         G  12  16.144  -0.162  31.223
  129   2H2     G  12          2H2         G  12  16.414  -1.786  31.816
  130   1H5*    C  13          1H5*        C  13  14.622  -5.426  38.587
  131   2H5*    C  13          2H5*        C  13  15.043  -5.186  40.283
  132    H4*    C  13           H4*        C  13  16.899  -4.465  39.015
  133    H3*    C  13           H3*        C  13  15.291  -2.159  40.104
  134    H2*    C  13           H2*        C  13  16.930  -0.662  39.292
  135   2HO*    C  13          2HO*        C  13  18.766  -2.213  38.192
  136    H1*    C  13           H1*        C  13  17.154  -1.912  36.793
  137   1H4     C  13          1H4         C  13  12.977   2.785  35.727
  138   2H4     C  13          2H4         C  13  11.728   1.864  36.533
  139    H5     C  13           H5         C  13  12.104  -0.205  37.607
  140    H6     C  13           H6         C  13  13.790  -1.917  38.178
  141   1H5*    U  14          1H5*        U  14  19.003  -1.598  41.246
  142   2H5*    U  14          2H5*        U  14  19.337  -1.041  42.886
  143    H4*    U  14           H4*        U  14  20.223   0.549  41.331
  144    H3*    U  14           H3*        U  14  17.797   1.491  42.848
  145    H2*    U  14           H2*        U  14  18.044   3.635  41.884
  146   2HO*    U  14          2HO*        U  14  20.511   2.917  42.056
  147    H1*    U  14           H1*        U  14  18.515   2.649  39.295
  148    H3     U  14           H3         U  14  14.433   4.564  38.882
  149    H5     U  14           H5         U  14  13.676   1.059  41.044
  150    H6     U  14           H6         U  14  16.103   0.732  41.172
  151   1H5*    G  15          1H5*        G  15  21.100   4.255  43.340
  152   2H5*    G  15          2H5*        G  15  21.341   4.538  45.064
  153    H4*    G  15           H4*        G  15  21.404   6.672  44.184
  154    H3*    G  15           H3*        G  15  18.697   6.076  45.293
  155    H2*    G  15           H2*        G  15  17.830   8.150  44.567
  156   2HO*    G  15          2HO*        G  15  19.836   9.368  43.380
  157    H1*    G  15           H1*        G  15  18.937   7.968  41.996
  158    H8     G  15           H8         G  15  17.621   4.687  43.282
  159    H1     G  15           H1         G  15  13.156   8.368  40.385
  160   1H2     G  15          1H2         G  15  13.941  10.238  40.010
  161   2H2     G  15          2H2         G  15  15.567  10.735  40.421
  162   1H5*    G  16          1H5*        G  16  19.165   9.720  47.427
  163   2H5*    G  16          2H5*        G  16  18.359   9.471  48.976
  164    H4*    G  16           H4*        G  16  17.202  11.081  47.494
  165    H3*    G  16           H3*        G  16  15.762   8.596  48.403
  166    H2*    G  16           H2*        G  16  13.777   9.396  47.397
  167   2HO*    G  16          2HO*        G  16  14.576  11.755  46.382
  168    H1*    G  16           H1*        G  16  15.061  10.191  45.024
  169    H8     G  16           H8         G  16  16.352   6.922  46.330
  170    H1     G  16           H1         G  16  11.034   6.367  42.683
  171   1H2     G  16          1H2         G  16  10.258   8.239  42.309
  172   2H2     G  16          2H2         G  16  10.945   9.738  42.895
  173   1H5*    A  17          1H5*        A  17  13.524   7.569  50.344
  174   2H5*    A  17          2H5*        A  17  12.654   7.724  48.817
  175    H4*    A  17           H4*        A  17  11.362   7.273  51.034
  176    H3*    A  17           H3*        A  17  10.474   9.303  48.961
  177    H2*    A  17           H2*        A  17   8.398   9.335  50.089
  178   2HO*    A  17          2HO*        A  17   9.484   6.877  50.832
  179    H1*    A  17           H1*        A  17   9.540   9.365  52.651
  180    H8     A  17           H8         A  17  11.702  11.616  50.794
  181   1H6     A  17          1H6         A  17   7.317  16.032  51.268
  182   2H6     A  17          2H6         A  17   8.988  15.733  50.844
  183    H2     A  17           H2         A  17   5.515  12.151  52.462
  184   1H5*    G  18          1H5*        G  18   5.995   8.193  48.701
  185   2H5*    G  18          2H5*        G  18   6.401   7.721  47.052
  186    H4*    G  18           H4*        G  18   4.998   9.760  47.207
  187    H3*    G  18           H3*        G  18   7.588   9.693  45.758
  188    H2*    G  18           H2*        G  18   7.607  12.013  45.341
  189   2HO*    G  18          2HO*        G  18   5.125  11.616  45.174
  190    H1*    G  18           H1*        G  18   6.915  12.764  47.934
  191    H8     G  18           H8         G  18   9.272   9.865  47.048
  192    H1     G  18           H1         G  18  12.150  15.281  49.117
  193   1H2     G  18          1H2         G  18  10.724  16.733  49.453
  194   2H2     G  18          2H2         G  18   9.006  16.515  49.211
  195   1H5*    A  19          1H5*        A  19   4.649  11.576  43.614
  196   2H5*    A  19          2H5*        A  19   4.232  10.993  42.002
  197    H4*    A  19           H4*        A  19   4.426  13.230  41.597
  198    H3*    A  19           H3*        A  19   6.910  11.845  40.881
  199    H2*    A  19           H2*        A  19   8.274  13.770  40.770
  200   2HO*    A  19          2HO*        A  19   7.148  15.494  40.091
  201    H1*    A  19           H1*        A  19   7.443  14.826  43.206
  202    H8     A  19           H8         A  19   8.227  11.212  42.155
  203   1H6     A  19          1H6         A  19  13.036  11.656  46.108
  204   2H6     A  19          2H6         A  19  12.231  10.600  44.969
  205    H2     A  19           H2         A  19  10.786  15.486  46.221
  206   1H5*    C  20          1H5*        C  20   6.255  13.712  37.342
  207   2H5*    C  20          2H5*        C  20   6.810  12.793  35.943
  208    H4*    C  20           H4*        C  20   8.489  14.183  37.389
  209    H3*    C  20           H3*        C  20   9.003  11.420  36.274
  210    H2*    C  20           H2*        C  20  11.252  11.641  36.968
  211   2HO*    C  20          2HO*        C  20  10.337  14.320  37.021
  212    H1*    C  20           H1*        C  20  10.605  12.707  39.479
  213   1H4     C  20          1H4         C  20  11.333   6.470  40.606
  214   2H4     C  20          2H4         C  20   9.732   6.170  39.965
  215    H5     C  20           H5         C  20   8.376   7.835  38.982
  216    H6     C  20           H6         C  20   8.219  10.220  38.365
  217   1H5*    G  21          1H5*        G  21  11.783  14.082  35.003
  218   2H5*    G  21          2H5*        G  21  12.299  14.024  33.318
  219    H4*    G  21           H4*        G  21  14.254  13.928  34.646
  220    H3*    G  21           H3*        G  21  13.526  11.270  33.433
  221    H2*    G  21           H2*        G  21  15.513  10.334  34.301
  222   2HO*    G  21          2HO*        G  21  16.420  12.704  35.469
  223    H1*    G  21           H1*        G  21  15.213  11.583  36.825
  224    H8     G  21           H8         G  21  11.989  10.179  35.568
  225    H1     G  21           H1         G  21  15.730   5.809  38.531
  226   1H2     G  21          1H2         G  21  17.600   6.613  38.863
  227   2H2     G  21          2H2         G  21  18.081   8.233  38.406
  228   1H5*    G  22          1H5*        G  22  17.525  11.828  32.577
  229   2H5*    G  22          2H5*        G  22  17.827  11.629  30.852
  230    H4*    G  22           H4*        G  22  19.367  10.231  31.958
  231    H3*    G  22           H3*        G  22  17.087   8.720  30.722
  232    H2*    G  22           H2*        G  22  18.020   6.665  31.426
  233   2HO*    G  22          2HO*        G  22  20.159   7.869  30.940
  234    H1*    G  22           H1*        G  22  18.606   7.603  34.022
  235    H8     G  22           H8         G  22  15.255   8.788  32.888
  236    H1     G  22           H1         G  22  15.183   2.782  35.298
  237   1H2     G  22          1H2         G  22  17.118   2.120  35.556
  238   2H2     G  22          2H2         G  22  18.548   3.054  35.176
  239   1H5*    C  23          1H5*        C  23  20.562   6.974  29.766
  240   2H5*    C  23          2H5*        C  23  20.896   6.704  28.056
  241    H4*    C  23           H4*        C  23  21.327   4.649  29.069
  242    H3*    C  23           H3*        C  23  18.611   4.647  27.778
  243    H2*    C  23           H2*        C  23  18.332   2.373  28.358
  244   2HO*    C  23          2HO*        C  23  21.044   2.677  28.312
  245    H1*    C  23           H1*        C  23  19.281   2.717  30.986
  246   1H4     C  23          1H4         C  23  12.928   2.976  31.550
  247   2H4     C  23          2H4         C  23  12.959   4.647  31.031
  248    H5     C  23           H5         C  23  14.907   5.760  30.297
  249    H6     C  23           H6         C  23  17.331   5.542  29.875
  250   1H5*    A  24          1H5*        A  24  21.049   1.409  26.665
  251   2H5*    A  24          2H5*        A  24  21.113   1.104  24.929
  252    H4*    A  24           H4*        A  24  20.753  -0.995  25.869
  253    H3*    A  24           H3*        A  24  18.267   0.178  24.722
  254    H2*    A  24           H2*        A  24  16.922  -1.610  25.486
  255   2HO*    A  24          2HO*        A  24  18.144  -3.403  25.267
  256    H1*    A  24           H1*        A  24  18.008  -1.602  28.076
  257    H8     A  24           H8         A  24  17.541   1.868  26.737
  258   1H6     A  24          1H6         A  24  11.752   1.618  29.053
  259   2H6     A  24          2H6         A  24  12.941   2.673  28.322
  260    H2     A  24           H2         A  24  13.555  -2.429  29.379
  261   1H5*    A  25          1H5*        A  25  18.787  -3.863  23.636
  262   2H5*    A  25          2H5*        A  25  18.291  -4.328  22.009
  263    H4*    A  25           H4*        A  25  17.183  -5.710  23.650
  264    H3*    A  25           H3*        A  25  15.457  -3.834  22.065
  265    H2*    A  25           H2*        A  25  13.517  -4.665  23.129
  266   2HO*    A  25          2HO*        A  25  14.711  -6.818  23.008
  267    H1*    A  25           H1*        A  25  14.598  -4.578  25.702
  268    H8     A  25           H8         A  25  15.742  -1.650  23.667
  269   1H6     A  25          1H6         A  25  10.555   1.263  25.555
  270   2H6     A  25          2H6         A  25  12.076   1.477  24.720
  271    H2     A  25           H2         A  25  10.294  -2.991  26.809
  272   1H5*    G  26          1H5*        G  26  13.750  -7.416  21.775
  273   2H5*    G  26          2H5*        G  26  13.376  -8.016  20.160
  274    H4*    G  26           H4*        G  26  11.380  -8.127  21.430
  275    H3*    G  26           H3*        G  26  11.370  -5.833  19.468
  276    H2*    G  26           H2*        G  26   9.114  -5.420  20.015
  277   2HO*    G  26          2HO*        G  26   8.607  -7.402  21.776
  278    H1*    G  26           H1*        G  26   9.464  -5.717  22.776
  279    H8     G  26           H8         G  26  12.318  -3.971  21.030
  280    H1     G  26           H1         G  26   7.549  -0.032  22.930
  281   1H2     G  26          1H2         G  26   5.956  -1.153  23.604
  282   2H2     G  26          2H2         G  26   5.917  -2.902  23.646
  283   1H5*    A  27          1H5*        A  27   9.403  -9.498  17.346
  284   2H5*    A  27          2H5*        A  27   8.815  -8.939  15.779
  285    H4*    A  27           H4*        A  27   7.470  -8.562  18.044
  286    H3*    A  27           H3*        A  27   7.603  -6.470  15.837
  287    H2*    A  27           H2*        A  27   5.636  -5.652  16.833
  288   2HO*    A  27          2HO*        A  27   4.353  -7.366  17.212
  289    H1*    A  27           H1*        A  27   6.432  -6.140  19.470
  290    H8     A  27           H8         A  27   9.283  -4.929  17.352
  291   1H6     A  27          1H6         A  27   7.500   0.856  18.871
  292   2H6     A  27          2H6         A  27   8.754  -0.082  18.091
  293    H2     A  27           H2         A  27   4.402  -1.979  20.322
  294   1H5*    G  28          1H5*        G  28   5.777  -5.277  13.227
  295   2H5*    G  28          2H5*        G  28   6.022  -5.919  14.852
  296    H4*    G  28           H4*        G  28   3.582  -6.981  13.756
  297    H3*    G  28           H3*        G  28   4.015  -4.143  13.121
  298    H2*    G  28           H2*        G  28   2.119  -3.330  14.256
  299   2HO*    G  28          2HO*        G  28   1.543  -6.040  13.918
  300    H1*    G  28           H1*        G  28   2.523  -4.737  16.601
  301    H8     G  28           H8         G  28   5.823  -3.807  15.082
  302    H1     G  28           H1         G  28   3.185   0.885  18.674
  303   1H2     G  28          1H2         G  28   1.252   0.367  19.172
  304   2H2     G  28          2H2         G  28   0.463  -1.118  18.687
  305   1H5*    G  29          1H5*        G  29   0.495  -5.056  10.827
  306   2H5*    G  29          2H5*        G  29   0.175  -3.765   9.669
  307    H4*    G  29           H4*        G  29  -0.678  -3.545  12.104
  308    H3*    G  29           H3*        G  29   0.883  -1.136  11.135
  309    H2*    G  29           H2*        G  29  -0.805  -0.040  12.372
  310   2HO*    G  29          2HO*        G  29  -2.095  -2.547  11.847
  311    H1*    G  29           H1*        G  29  -0.983  -2.039  14.332
  312    H8     G  29           H8         G  29   2.543  -1.359  13.208
  313    H1     G  29           H1         G  29   0.487   2.527  17.958
  314   1H2     G  29          1H2         G  29  -1.534   2.243  18.254
  315   2H2     G  29          2H2         G  29  -2.524   1.119  17.351
  316   1H5*    C  30          1H5*        C  30  -2.364   0.602  12.063
  317   2H5*    C  30          2H5*        C  30  -3.155   0.406  10.500
  318    H4*    C  30           H4*        C  30  -3.788   2.529  10.765
  319    H3*    C  30           H3*        C  30  -0.999   2.772   9.774
  320    H2*    C  30           H2*        C  30  -0.840   5.066  10.301
  321   2HO*    C  30          2HO*        C  30  -3.150   5.757  11.304
  322    H1*    C  30           H1*        C  30  -1.845   4.867  12.863
  323   1H4     C  30          1H4         C  30   4.439   3.988  13.596
  324   2H4     C  30          2H4         C  30   4.225   2.285  13.254
  325    H5     C  30           H5         C  30   2.172   1.326  12.588
  326    H6     C  30           H6         C  30  -0.204   1.766  12.082
  327   1H5*    G  31          1H5*        G  31  -3.128   5.841   8.257
  328   2H5*    G  31          2H5*        G  31  -2.864   6.300   6.575
  329    H4*    G  31           H4*        G  31  -2.380   8.160   8.037
  330    H3*    G  31           H3*        G  31   0.044   6.961   6.683
  331    H2*    G  31           H2*        G  31   1.290   8.823   7.439
  332   2HO*    G  31          2HO*        G  31   0.047  10.596   7.303
  333    H1*    G  31           H1*        G  31   0.219   8.786  10.022
  334    H8     G  31           H8         G  31   0.750   5.305   8.759
  335    H1     G  31           H1         G  31   6.072   7.994  11.275
  336   1H2     G  31          1H2         G  31   5.735  10.000  11.617
  337   2H2     G  31          2H2         G  31   4.234  10.829  11.273
  338   1H5*    A  32          1H5*        A  32  -0.578  10.899   5.824
  339   2H5*    A  32          2H5*        A  32  -0.284  11.481   4.186
  340    H4*    A  32           H4*        A  32   0.911  12.879   5.701
  341    H3*    A  32           H3*        A  32   2.631  11.049   4.054
  342    H2*    A  32           H2*        A  32   4.582  11.992   4.998
  343   2HO*    A  32          2HO*        A  32   4.362  14.003   6.076
  344    H1*    A  32           H1*        A  32   3.621  11.913   7.628
  345    H8     A  32           H8         A  32   2.573   8.859   5.746
  346   1H6     A  32          1H6         A  32   8.041   6.348   7.402
  347   2H6     A  32          2H6         A  32   6.491   6.009   6.668
  348    H2     A  32           H2         A  32   8.096  10.652   8.508
  349   1H5*    G  33          1H5*        G  33   4.068  14.908   3.939
  350   2H5*    G  33          2H5*        G  33   4.128  15.573   2.306
  351    H4*    G  33           H4*        G  33   6.166  16.201   3.196
  352    H3*    G  33           H3*        G  33   6.465  13.743   1.525
  353    H2*    G  33           H2*        G  33   8.766  13.564   2.037
  354   2HO*    G  33          2HO*        G  33   8.266  16.113   3.282
  355    H1*    G  33           H1*        G  33   8.398  13.984   4.792
  356    H8     G  33           H8         G  33   5.734  11.824   3.251
  357    H1     G  33           H1         G  33  11.019   8.575   5.096
  358   1H2     G  33          1H2         G  33  12.497   9.911   5.629
  359   2H2     G  33          2H2         G  33  12.331  11.651   5.581
  360   1H5*    U  34          1H5*        U  34   9.608  16.415   0.838
  361   2H5*    U  34          2H5*        U  34   9.782  16.825  -0.868
  362    H4*    U  34           H4*        U  34  11.949  16.340  -0.115
  363    H3*    U  34           H3*        U  34  10.757  14.130  -1.739
  364    H2*    U  34           H2*        U  34  12.680  12.785  -1.468
  365   2HO*    U  34          2HO*        U  34  13.610  15.337  -0.948
  366    H1*    U  34           H1*        U  34  12.886  13.282   1.296
  367    H3     U  34           H3         U  34  11.757   8.879   0.945
  368    H5     U  34           H5         U  34   8.153  10.937   0.384
  369    H6     U  34           H6         U  34   9.461  13.011   0.327
  370   1H5*    C  35          1H5*        C  35  14.660  14.803  -3.398
  371   2H5*    C  35          2H5*        C  35  14.486  15.132  -5.122
  372    H4*    C  35           H4*        C  35  16.132  13.488  -5.009
  373    H3*    C  35           H3*        C  35  13.472  12.310  -5.744
  374    H2*    C  35           H2*        C  35  14.424  10.153  -5.901
  375   2HO*    C  35          2HO*        C  35  16.535  11.789  -6.358
  376    H1*    C  35           H1*        C  35  15.867  10.371  -3.505
  377   1H4     C  35          1H4         C  35  10.513   7.372  -1.769
  378   2H4     C  35          2H4         C  35   9.646   8.892  -1.813
  379    H5     C  35           H5         C  35  10.597  10.928  -2.540
  380    H6     C  35           H6         C  35  12.634  12.019  -3.409
  381   1H5*    C  36          1H5*        C  36  15.996  10.759  -8.987
  382   2H5*    C  36          2H5*        C  36  15.133  11.220 -10.453
  383    H4*    C  36           H4*        C  36  15.510   8.898 -10.602
  384    H3*    C  36           H3*        C  36  12.669   9.586  -9.918
  385    H2*    C  36           H2*        C  36  12.075   7.299  -9.940
  386   2HO*    C  36          2HO*        C  36  13.214   6.154 -11.391
  387    H1*    C  36           H1*        C  36  14.356   6.502  -8.474
  388   1H4     C  36          1H4         C  36   9.758   6.791  -4.067
  389   2H4     C  36          2H4         C  36   9.842   8.538  -4.087
  390    H5     C  36           H5         C  36  11.205   9.773  -5.570
  391    H6     C  36           H6         C  36  12.838   9.632  -7.415
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   6.100  -3.115  -1.743
    2   2H5*    G   1          2H5*        G   1   7.178  -3.971  -0.642
    3    H4*    G   1           H4*        G   1   8.304  -4.003  -2.676
    4    H3*    G   1           H3*        G   1   9.380  -1.843  -0.893
    5    H2*    G   1           H2*        G   1  10.930  -1.186  -2.529
    6   2HO*    G   1          2HO*        G   1  11.730  -3.030  -3.367
    7    H1*    G   1           H1*        G   1   9.199  -1.329  -4.700
    8    H8     G   1           H8         G   1   7.222  -0.079  -1.824
    9    H1     G   1           H1         G   1  10.861   4.512  -4.573
   10   1H2     G   1          1H2         G   1  12.188   3.642  -5.890
   11   2H2     G   1          2H2         G   1  12.298   1.924  -6.203
   12   1H5*    G   2          1H5*        G   2  13.007  -3.291  -2.129
   13   2H5*    G   2          2H5*        G   2  13.977  -3.538  -0.678
   14    H4*    G   2           H4*        G   2  15.094  -1.961  -2.079
   15    H3*    G   2           H3*        G   2  13.813  -0.596   0.310
   16    H2*    G   2           H2*        G   2  15.181   1.261  -0.202
   17   2HO*    G   2          2HO*        G   2  16.982   0.874  -1.631
   18    H1*    G   2           H1*        G   2  14.750   1.070  -2.978
   19    H8     G   2           H8         G   2  11.734   0.478  -0.773
   20    H1     G   2           H1         G   2  12.637   6.653  -2.481
   21   1H2     G   2          1H2         G   2  14.449   6.844  -3.448
   22   2H2     G   2          2H2         G   2  15.558   5.524  -3.750
   23   1H5*    A   3          1H5*        A   3  17.682   0.132   1.199
   24   2H5*    A   3          2H5*        A   3  17.885   0.368   2.935
   25    H4*    A   3           H4*        A   3  18.132   2.435   1.567
   26    H3*    A   3           H3*        A   3  15.810   2.531   3.532
   27    H2*    A   3           H2*        A   3  16.169   4.865   3.427
   28   2HO*    A   3          2HO*        A   3  18.409   4.972   1.909
   29    H1*    A   3           H1*        A   3  16.671   4.897   0.671
   30    H8     A   3           H8         A   3  13.940   2.480   1.512
   31   1H6     A   3          1H6         A   3   9.989   7.289   1.053
   32   2H6     A   3          2H6         A   3  10.093   5.552   1.221
   33    H2     A   3           H2         A   3  14.136   8.877   0.890
   34   1H5*    C   4          1H5*        C   4  18.790   4.684   5.787
   35   2H5*    C   4          2H5*        C   4  18.421   4.474   7.498
   36    H4*    C   4           H4*        C   4  18.326   6.829   6.704
   37    H3*    C   4           H3*        C   4  15.802   5.615   7.862
   38    H2*    C   4           H2*        C   4  14.935   7.811   7.973
   39   2HO*    C   4          2HO*        C   4  16.958   8.628   8.765
   40    H1*    C   4           H1*        C   4  15.866   8.544   5.430
   41   1H4     C   4          1H4         C   4   9.818   6.702   4.496
   42   2H4     C   4          2H4         C   4  10.363   5.044   4.376
   43    H5     C   4           H5         C   4  12.587   4.359   4.769
   44    H6     C   4           H6         C   4  14.861   5.102   5.380
   45   1H5*    U   5          1H5*        U   5  17.066   8.716  10.140
   46   2H5*    U   5          2H5*        U   5  16.821   8.638  11.885
   47    H4*    U   5           H4*        U   5  15.753  10.603  10.948
   48    H3*    U   5           H3*        U   5  13.870   8.498  12.029
   49    H2*    U   5           H2*        U   5  12.109  10.053  11.793
   50   2HO*    U   5          2HO*        U   5  14.394  11.746  11.589
   51    H1*    U   5           H1*        U   5  12.911  10.941   9.262
   52    H3     U   5           H3         U   5   9.061   8.546   8.657
   53    H5     U   5           H5         U   5  12.107   5.675   8.804
   54    H6     U   5           H6         U   5  13.632   7.471   9.482
   55   1H5*    C   6          1H5*        C   6  13.480  12.015  14.274
   56   2H5*    C   6          2H5*        C   6  13.096  11.808  15.984
   57    H4*    C   6           H4*        C   6  11.406  13.155  14.916
   58    H3*    C   6           H3*        C   6  10.493  10.402  15.757
   59    H2*    C   6           H2*        C   6   8.278  11.033  15.236
   60   2HO*    C   6          2HO*        C   6   9.266  13.296  16.052
   61    H1*    C   6           H1*        C   6   8.937  12.267  12.816
   62   1H4     C   6          1H4         C   6   7.288   6.316  11.182
   63   2H4     C   6          2H4         C   6   8.912   5.781  11.553
   64    H5     C   6           H5         C   6  10.569   7.167  12.511
   65    H6     C   6           H6         C   6  11.079   9.430  13.354
   66   1H5*    G   7          1H5*        G   7   7.961  12.942  17.605
   67   2H5*    G   7          2H5*        G   7   8.091  12.868  19.362
   68    H4*    G   7           H4*        G   7   5.809  12.806  19.014
   69    H3*    G   7           H3*        G   7   6.879  10.055  19.449
   70    H2*    G   7           H2*        G   7   4.791   9.052  19.032
   71   2HO*    G   7          2HO*        G   7   4.025  11.205  20.170
   72    H1*    G   7           H1*        G   7   4.239  10.790  16.821
   73    H8     G   7           H8         G   7   7.627   9.159  16.839
   74    H1     G   7           H1         G   7   3.008   5.610  14.019
   75   1H2     G   7          1H2         G   7   1.168   6.482  14.353
   76   2H2     G   7          2H2         G   7   0.916   7.955  15.263
   77   1H5*    G   8          1H5*        G   8   3.990  11.119  21.978
   78   2H5*    G   8          2H5*        G   8   3.602  10.828  23.673
   79    H4*    G   8           H4*        G   8   2.490   9.169  22.395
   80    H3*    G   8           H3*        G   8   4.974   7.815  23.515
   81    H2*    G   8           H2*        G   8   3.635   5.876  23.345
   82   2HO*    G   8          2HO*        G   8   1.511   7.789  22.978
   83    H1*    G   8           H1*        G   8   2.452   6.643  20.915
   84    H8     G   8           H8         G   8   6.063   7.538  20.882
   85    H1     G   8           H1         G   8   4.959   1.319  19.474
   86   1H2     G   8          1H2         G   8   2.989   0.860  19.877
   87   2H2     G   8          2H2         G   8   1.812   1.992  20.505
   88   1H5*    C   9          1H5*        C   9   2.039   7.019  25.633
   89   2H5*    C   9          2H5*        C   9   1.868   6.492  27.308
   90    H4*    C   9           H4*        C   9   1.437   4.633  25.865
   91    H3*    C   9           H3*        C   9   4.186   4.325  27.128
   92    H2*    C   9           H2*        C   9   3.918   2.031  26.625
   93   2HO*    C   9          2HO*        C   9   1.268   2.974  26.662
   94    H1*    C   9           H1*        C   9   2.801   2.472  24.100
   95   1H4     C   9          1H4         C   9   9.045   1.654  23.007
   96   2H4     C   9          2H4         C   9   9.301   3.356  23.323
   97    H5     C   9           H5         C   9   7.614   4.822  24.083
   98    H6     C   9           H6         C   9   5.240   5.018  24.735
   99   1H5*    U  10          1H5*        U  10   1.825   1.540  28.722
  100   2H5*    U  10          2H5*        U  10   1.771   1.499  30.484
  101    H4*    U  10           H4*        U  10   2.088  -0.724  29.823
  102    H3*    U  10           H3*        U  10   4.605   0.543  30.834
  103    H2*    U  10           H2*        U  10   5.831  -1.443  30.462
  104   2HO*    U  10          2HO*        U  10   4.533  -3.362  29.906
  105    H1*    U  10           H1*        U  10   4.799  -1.877  27.897
  106    H3     U  10           H3         U  10   9.175  -0.667  27.350
  107    H5     U  10           H5         U  10   7.106   2.948  27.788
  108    H6     U  10           H6         U  10   5.124   1.629  28.379
  109   1H5*    U  11          1H5*        U  11   4.188  -3.091  32.474
  110   2H5*    U  11          2H5*        U  11   4.237  -3.206  34.234
  111    H4*    U  11           H4*        U  11   5.738  -4.830  33.488
  112    H3*    U  11           H3*        U  11   7.165  -2.357  34.413
  113    H2*    U  11           H2*        U  11   9.261  -3.356  33.965
  114   2HO*    U  11          2HO*        U  11   8.404  -5.776  33.027
  115    H1*    U  11           H1*        U  11   8.518  -4.334  31.451
  116    H3     U  11           H3         U  11  11.356  -1.001  30.326
  117    H5     U  11           H5         U  11   7.934   1.024  31.641
  118    H6     U  11           H6         U  11   7.026  -1.153  32.314
  119   1H5*    G  12          1H5*        G  12   8.844  -5.555  36.159
  120   2H5*    G  12          2H5*        G  12   9.225  -5.487  37.880
  121    H4*    G  12           H4*        G  12  11.240  -6.005  36.779
  122    H3*    G  12           H3*        G  12  11.164  -3.090  37.574
  123    H2*    G  12           H2*        G  12  13.413  -2.904  36.915
  124   2HO*    G  12          2HO*        G  12  13.706  -5.629  36.334
  125    H1*    G  12           H1*        G  12  13.171  -4.396  34.579
  126    H8     G  12           H8         G  12  10.240  -2.165  35.519
  127    H1     G  12           H1         G  12  14.610   0.583  31.616
  128   1H2     G  12          1H2         G  12  16.225  -0.680  31.393
  129   2H2     G  12          2H2         G  12  16.373  -2.250  32.152
  130   1H5*    C  13          1H5*        C  13  14.324  -5.007  39.237
  131   2H5*    C  13          2H5*        C  13  14.770  -4.650  40.905
  132    H4*    C  13           H4*        C  13  16.716  -4.297  39.646
  133    H3*    C  13           H3*        C  13  15.368  -1.721  40.395
  134    H2*    C  13           H2*        C  13  17.087  -0.480  39.348
  135   2HO*    C  13          2HO*        C  13  18.800  -1.763  40.055
  136    H1*    C  13           H1*        C  13  17.119  -2.041  37.026
  137   1H4     C  13          1H4         C  13  13.176   2.698  35.437
  138   2H4     C  13          2H4         C  13  11.952   2.064  36.514
  139    H5     C  13           H5         C  13  12.278   0.197  37.922
  140    H6     C  13           H6         C  13  13.875  -1.537  38.654
  141   1H5*    U  14          1H5*        U  14  19.178  -1.352  41.186
  142   2H5*    U  14          2H5*        U  14  19.685  -0.673  42.732
  143    H4*    U  14           H4*        U  14  20.661   0.663  41.045
  144    H3*    U  14           H3*        U  14  18.322   1.994  42.387
  145    H2*    U  14           H2*        U  14  18.706   3.957  41.126
  146   2HO*    U  14          2HO*        U  14  20.892   3.072  39.705
  147    H1*    U  14           H1*        U  14  19.057   2.604  38.701
  148    H3     U  14           H3         U  14  15.037   4.475  37.928
  149    H5     U  14           H5         U  14  14.214   1.653  40.911
  150    H6     U  14           H6         U  14  16.626   1.227  41.036
  151   1H5*    G  15          1H5*        G  15  21.758   4.702  42.816
  152   2H5*    G  15          2H5*        G  15  21.824   5.186  44.510
  153    H4*    G  15           H4*        G  15  21.936   7.184  43.301
  154    H3*    G  15           H3*        G  15  19.203   6.707  44.437
  155    H2*    G  15           H2*        G  15  18.406   8.727  43.516
  156   2HO*    G  15          2HO*        G  15  20.199  10.065  42.463
  157    H1*    G  15           H1*        G  15  19.565   8.331  41.002
  158    H8     G  15           H8         G  15  18.258   5.120  42.426
  159    H1     G  15           H1         G  15  13.764   8.648  39.388
  160   1H2     G  15          1H2         G  15  14.531  10.511  38.948
  161   2H2     G  15          2H2         G  15  16.152  11.039  39.344
  162   1H5*    G  16          1H5*        G  16  19.786  10.568  45.641
  163   2H5*    G  16          2H5*        G  16  19.290  10.785  47.319
  164    H4*    G  16           H4*        G  16  17.932  12.199  45.980
  165    H3*    G  16           H3*        G  16  16.520   9.802  47.096
  166    H2*    G  16           H2*        G  16  14.483  10.473  46.099
  167   2HO*    G  16          2HO*        G  16  14.655  12.672  46.494
  168    H1*    G  16           H1*        G  16  15.662  11.055  43.611
  169    H8     G  16           H8         G  16  17.032   7.944  45.212
  170    H1     G  16           H1         G  16  11.661   6.968  41.736
  171   1H2     G  16          1H2         G  16  10.858   8.785  41.185
  172   2H2     G  16          2H2         G  16  11.538  10.342  41.602
  173   1H5*    A  17          1H5*        A  17  14.296   8.975  49.206
  174   2H5*    A  17          2H5*        A  17  13.448   8.989  47.660
  175    H4*    A  17           H4*        A  17  12.127   8.723  49.892
  176    H3*    A  17           H3*        A  17  11.251  10.561  47.641
  177    H2*    A  17           H2*        A  17   9.158  10.660  48.733
  178   2HO*    A  17          2HO*        A  17  10.282   8.298  49.745
  179    H1*    A  17           H1*        A  17  10.264  10.900  51.303
  180    H8     A  17           H8         A  17  12.405  13.034  49.281
  181   1H6     A  17          1H6         A  17   7.960  17.412  49.416
  182   2H6     A  17          2H6         A  17   9.634  17.105  49.016
  183    H2     A  17           H2         A  17   6.211  13.608  50.906
  184   1H5*    G  18          1H5*        G  18   6.808   9.331  47.448
  185   2H5*    G  18          2H5*        G  18   7.218   8.761  45.831
  186    H4*    G  18           H4*        G  18   5.755  10.765  45.861
  187    H3*    G  18           H3*        G  18   8.333  10.670  44.395
  188    H2*    G  18           H2*        G  18   8.287  12.960  43.822
  189   2HO*    G  18          2HO*        G  18   6.037  12.948  43.389
  190    H1*    G  18           H1*        G  18   7.634  13.859  46.376
  191    H8     G  18           H8         G  18  10.026  10.950  45.630
  192    H1     G  18           H1         G  18  12.844  16.536  47.284
  193   1H2     G  18          1H2         G  18  11.400  17.982  47.555
  194   2H2     G  18          2H2         G  18   9.681  17.721  47.362
  195   1H5*    A  19          1H5*        A  19   5.326  12.188  42.172
  196   2H5*    A  19          2H5*        A  19   4.801  11.488  40.640
  197    H4*    A  19           H4*        A  19   4.999  13.645  39.983
  198    H3*    A  19           H3*        A  19   7.504  12.249  39.394
  199    H2*    A  19           H2*        A  19   8.854  14.172  39.137
  200   2HO*    A  19          2HO*        A  19   6.944  15.213  38.129
  201    H1*    A  19           H1*        A  19   7.988  15.397  41.491
  202    H8     A  19           H8         A  19   8.837  11.714  40.776
  203   1H6     A  19          1H6         A  19  13.723  12.651  44.544
  204   2H6     A  19          2H6         A  19  12.911  11.468  43.544
  205    H2     A  19           H2         A  19  11.410  16.436  44.301
  206   1H5*    C  20          1H5*        C  20   7.028  13.893  35.821
  207   2H5*    C  20          2H5*        C  20   7.615  12.923  34.471
  208    H4*    C  20           H4*        C  20   9.272  14.356  35.872
  209    H3*    C  20           H3*        C  20   9.785  11.514  34.973
  210    H2*    C  20           H2*        C  20  12.014  11.763  35.716
  211   2HO*    C  20          2HO*        C  20  11.194  14.512  35.977
  212    H1*    C  20           H1*        C  20  11.300  13.023  38.121
  213   1H4     C  20          1H4         C  20  11.958   6.899  39.776
  214   2H4     C  20          2H4         C  20  10.405   6.535  39.056
  215    H5     C  20           H5         C  20   9.107   8.107  37.864
  216    H6     C  20           H6         C  20   8.977  10.438  37.060
  217   1H5*    G  21          1H5*        G  21  12.661  13.900  33.479
  218   2H5*    G  21          2H5*        G  21  13.240  13.606  31.840
  219    H4*    G  21           H4*        G  21  15.087  13.500  33.373
  220    H3*    G  21           H3*        G  21  14.292  10.823  32.216
  221    H2*    G  21           H2*        G  21  16.246   9.905  33.164
  222   2HO*    G  21          2HO*        G  21  17.670  11.735  34.179
  223    H1*    G  21           H1*        G  21  15.971  11.300  35.604
  224    H8     G  21           H8         G  21  12.676   9.989  34.473
  225    H1     G  21           H1         G  21  16.285   5.560  37.510
  226   1H2     G  21          1H2         G  21  18.199   6.285  37.761
  227   2H2     G  21          2H2         G  21  18.744   7.859  37.227
  228   1H5*    G  22          1H5*        G  22  18.102  11.138  31.343
  229   2H5*    G  22          2H5*        G  22  18.539  10.780  29.673
  230    H4*    G  22           H4*        G  22  19.820   9.321  30.990
  231    H3*    G  22           H3*        G  22  17.439   7.884  29.814
  232    H2*    G  22           H2*        G  22  18.323   5.851  30.634
  233   2HO*    G  22          2HO*        G  22  20.541   5.833  31.224
  234    H1*    G  22           H1*        G  22  18.994   6.918  33.149
  235    H8     G  22           H8         G  22  15.691   8.203  31.958
  236    H1     G  22           H1         G  22  15.335   2.417  34.834
  237   1H2     G  22          1H2         G  22  17.237   1.678  35.131
  238   2H2     G  22          2H2         G  22  18.710   2.503  34.670
  239   1H5*    C  23          1H5*        C  23  20.879   5.896  28.663
  240   2H5*    C  23          2H5*        C  23  20.936   5.489  26.948
  241    H4*    C  23           H4*        C  23  21.378   3.490  28.107
  242    H3*    C  23           H3*        C  23  18.578   3.592  27.019
  243    H2*    C  23           H2*        C  23  18.173   1.400  27.804
  244   2HO*    C  23          2HO*        C  23  20.700   1.018  28.902
  245    H1*    C  23           H1*        C  23  19.327   1.862  30.325
  246   1H4     C  23          1H4         C  23  13.100   2.770  31.346
  247   2H4     C  23          2H4         C  23  13.195   4.331  30.563
  248    H5     C  23           H5         C  23  15.142   5.163  29.517
  249    H6     C  23           H6         C  23  17.502   4.695  28.959
  250   1H5*    A  24          1H5*        A  24  20.730   0.052  25.984
  251   2H5*    A  24          2H5*        A  24  20.539  -0.405  24.291
  252    H4*    A  24           H4*        A  24  20.166  -2.367  25.521
  253    H3*    A  24           H3*        A  24  17.671  -1.141  24.444
  254    H2*    A  24           H2*        A  24  16.291  -2.746  25.496
  255   2HO*    A  24          2HO*        A  24  18.842  -3.940  25.628
  256    H1*    A  24           H1*        A  24  17.593  -2.561  27.975
  257    H8     A  24           H8         A  24  17.152   0.733  26.191
  258   1H6     A  24          1H6         A  24  11.727   1.219  29.237
  259   2H6     A  24          2H6         A  24  12.851   2.068  28.199
  260    H2     A  24           H2         A  24  13.383  -2.835  29.986
  261   1H5*    A  25          1H5*        A  25  17.885  -5.343  23.747
  262   2H5*    A  25          2H5*        A  25  17.246  -5.894  22.199
  263    H4*    A  25           H4*        A  25  16.179  -7.132  23.938
  264    H3*    A  25           H3*        A  25  14.464  -5.176  22.472
  265    H2*    A  25           H2*        A  25  12.583  -5.667  23.817
  266   2HO*    A  25          2HO*        A  25  12.650  -7.806  24.222
  267    H1*    A  25           H1*        A  25  14.002  -5.537  26.234
  268    H8     A  25           H8         A  25  15.148  -2.876  23.873
  269   1H6     A  25          1H6         A  25  10.518   0.661  26.113
  270   2H6     A  25          2H6         A  25  11.944   0.668  25.101
  271    H2     A  25           H2         A  25  10.006  -3.463  27.689
  272   1H5*    G  26          1H5*        G  26  12.211  -8.270  22.907
  273   2H5*    G  26          2H5*        G  26  11.661  -9.092  21.448
  274    H4*    G  26           H4*        G  26   9.736  -8.745  22.743
  275    H3*    G  26           H3*        G  26   9.910  -6.675  20.547
  276    H2*    G  26           H2*        G  26   7.763  -5.937  21.140
  277   2HO*    G  26          2HO*        G  26   6.948  -8.081  21.256
  278    H1*    G  26           H1*        G  26   8.115  -6.074  23.894
  279    H8     G  26           H8         G  26  11.274  -4.970  22.202
  280    H1     G  26           H1         G  26   7.088  -0.162  23.317
  281   1H2     G  26          1H2         G  26   5.287  -0.949  23.943
  282   2H2     G  26          2H2         G  26   4.960  -2.656  24.137
  283   1H5*    A  27          1H5*        A  27   7.114  -9.696  19.477
  284   2H5*    A  27          2H5*        A  27   6.347  -9.667  17.889
  285    H4*    A  27           H4*        A  27   5.274  -8.292  19.744
  286    H3*    A  27           H3*        A  27   6.002  -6.756  17.220
  287    H2*    A  27           H2*        A  27   4.181  -5.407  17.876
  288   2HO*    A  27          2HO*        A  27   2.523  -6.624  18.561
  289    H1*    A  27           H1*        A  27   4.741  -5.537  20.611
  290    H8     A  27           H8         A  27   7.872  -5.333  18.552
  291   1H6     A  27          1H6         A  27   7.277   0.870  18.891
  292   2H6     A  27          2H6         A  27   8.339  -0.427  18.389
  293    H2     A  27           H2         A  27   3.596  -0.973  20.562
  294   1H5*    G  28          1H5*        G  28   2.008  -8.263  16.484
  295   2H5*    G  28          2H5*        G  28   1.377  -7.902  14.878
  296    H4*    G  28           H4*        G  28   0.271  -6.588  16.617
  297    H3*    G  28           H3*        G  28   1.791  -5.208  14.450
  298    H2*    G  28           H2*        G  28   1.353  -3.073  15.366
  299   2HO*    G  28          2HO*        G  28  -0.299  -2.933  16.963
  300    H1*    G  28           H1*        G  28   2.007  -3.833  17.990
  301    H8     G  28           H8         G  28   4.407  -5.395  15.618
  302    H1     G  28           H1         G  28   5.826   0.768  16.992
  303   1H2     G  28          1H2         G  28   4.249   1.628  18.004
  304   2H2     G  28          2H2         G  28   2.763   0.804  18.419
  305   1H5*    G  29          1H5*        G  29  -2.070  -4.019  15.106
  306   2H5*    G  29          2H5*        G  29  -3.176  -3.044  14.139
  307    H4*    G  29           H4*        G  29  -1.622  -1.609  15.284
  308    H3*    G  29           H3*        G  29  -0.555  -1.602  12.454
  309    H2*    G  29           H2*        G  29  -0.258   0.660  13.008
  310   2HO*    G  29          2HO*        G  29  -2.670   0.255  13.852
  311    H1*    G  29           H1*        G  29   0.216   0.269  15.721
  312    H8     G  29           H8         G  29   1.578  -2.299  13.255
  313    H1     G  29           H1         G  29   5.724   2.389  14.900
  314   1H2     G  29          1H2         G  29   4.758   3.784  16.073
  315   2H2     G  29          2H2         G  29   3.075   3.696  16.541
  316   1H5*    C  30          1H5*        C  30  -0.878   0.588   9.797
  317   2H5*    C  30          2H5*        C  30  -1.154   0.308  11.516
  318    H4*    C  30           H4*        C  30  -3.372   1.771  10.407
  319    H3*    C  30           H3*        C  30  -0.758   2.642   9.383
  320    H2*    C  30           H2*        C  30  -0.860   4.836  10.235
  321   2HO*    C  30          2HO*        C  30  -3.441   4.195   9.950
  322    H1*    C  30           H1*        C  30  -1.620   4.166  12.793
  323   1H4     C  30          1H4         C  30   4.758   3.943  13.012
  324   2H4     C  30          2H4         C  30   4.710   2.301  12.411
  325    H5     C  30           H5         C  30   2.732   1.210  11.720
  326    H6     C  30           H6         C  30   0.289   1.430  11.433
  327   1H5*    G  31          1H5*        G  31  -3.167   5.647   8.446
  328   2H5*    G  31          2H5*        G  31  -3.128   6.232   6.784
  329    H4*    G  31           H4*        G  31  -2.578   8.039   8.252
  330    H3*    G  31           H3*        G  31  -0.181   7.005   6.719
  331    H2*    G  31           H2*        G  31   0.996   8.913   7.457
  332   2HO*    G  31          2HO*        G  31  -1.601   9.748   8.385
  333    H1*    G  31           H1*        G  31   0.033   8.789  10.084
  334    H8     G  31           H8         G  31   0.728   5.355   8.793
  335    H1     G  31           H1         G  31   5.990   8.386  11.033
  336   1H2     G  31          1H2         G  31   5.544  10.368  11.386
  337   2H2     G  31          2H2         G  31   3.979  11.100  11.115
  338   1H5*    A  32          1H5*        A  32  -1.024  10.914   5.840
  339   2H5*    A  32          2H5*        A  32  -0.672  11.520   4.222
  340    H4*    A  32           H4*        A  32   0.498  12.836   5.865
  341    H3*    A  32           H3*        A  32   2.256  11.097   4.135
  342    H2*    A  32           H2*        A  32   4.149  12.166   5.062
  343   2HO*    A  32          2HO*        A  32   2.070  13.906   5.995
  344    H1*    A  32           H1*        A  32   3.213  12.042   7.699
  345    H8     A  32           H8         A  32   2.327   8.912   5.867
  346   1H6     A  32          1H6         A  32   7.969   6.761   7.444
  347   2H6     A  32          2H6         A  32   6.429   6.317   6.744
  348    H2     A  32           H2         A  32   7.782  11.073   8.496
  349   1H5*    G  33          1H5*        G  33   3.461  15.016   3.874
  350   2H5*    G  33          2H5*        G  33   3.494  15.640   2.224
  351    H4*    G  33           H4*        G  33   5.519  16.344   3.083
  352    H3*    G  33           H3*        G  33   5.897  13.822   1.509
  353    H2*    G  33           H2*        G  33   8.217  13.814   1.976
  354   2HO*    G  33          2HO*        G  33   9.143  15.760   2.531
  355    H1*    G  33           H1*        G  33   7.876  14.348   4.713
  356    H8     G  33           H8         G  33   5.323  11.958   3.326
  357    H1     G  33           H1         G  33  10.816   9.128   5.250
  358   1H2     G  33          1H2         G  33  12.217  10.574   5.694
  359   2H2     G  33          2H2         G  33  11.945  12.297   5.564
  360   1H5*    U  34          1H5*        U  34   8.735  16.593   0.611
  361   2H5*    U  34          2H5*        U  34   8.884  17.042  -1.088
  362    H4*    U  34           H4*        U  34  11.078  16.690  -0.396
  363    H3*    U  34           H3*        U  34  10.021  14.317  -1.891
  364    H2*    U  34           H2*        U  34  12.074  13.177  -1.633
  365   2HO*    U  34          2HO*        U  34  12.959  15.536  -1.849
  366    H1*    U  34           H1*        U  34  12.349  13.790   1.083
  367    H3     U  34           H3         U  34  11.423   9.339   1.028
  368    H5     U  34           H5         U  34   7.707  11.172   0.416
  369    H6     U  34           H6         U  34   8.902  13.304   0.220
  370   1H5*    C  35          1H5*        C  35  13.613  15.280  -3.575
  371   2H5*    C  35          2H5*        C  35  13.636  15.423  -5.333
  372    H4*    C  35           H4*        C  35  15.326  13.891  -4.826
  373    H3*    C  35           H3*        C  35  12.840  12.406  -5.695
  374    H2*    C  35           H2*        C  35  14.116  10.421  -5.723
  375   2HO*    C  35          2HO*        C  35  15.943  12.308  -6.267
  376    H1*    C  35           H1*        C  35  15.417  10.916  -3.304
  377   1H4     C  35          1H4         C  35  10.393   7.384  -1.585
  378   2H4     C  35          2H4         C  35   9.357   8.787  -1.722
  379    H5     C  35           H5         C  35  10.088  10.890  -2.510
  380    H6     C  35           H6         C  35  12.012  12.178  -3.369
  381   1H5*    C  36          1H5*        C  36  15.593  10.916  -8.436
  382   2H5*    C  36          2H5*        C  36  14.935  11.182 -10.051
  383    H4*    C  36           H4*        C  36  15.395   8.902  -9.989
  384    H3*    C  36           H3*        C  36  12.461   9.321  -9.391
  385    H2*    C  36           H2*        C  36  12.170   6.979  -9.531
  386   2HO*    C  36          2HO*        C  36  13.419   6.433 -11.254
  387    H1*    C  36           H1*        C  36  14.471   6.387  -8.032
  388   1H4     C  36          1H4         C  36   9.752   6.183  -3.743
  389   2H4     C  36          2H4         C  36   9.749   7.931  -3.667
  390    H5     C  36           H5         C  36  11.074   9.311  -5.052
  391    H6     C  36           H6         C  36  12.747   9.354  -6.868
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   5.776  -2.348  -1.604
    2   2H5*    G   1          2H5*        G   1   6.822  -3.206  -0.473
    3    H4*    G   1           H4*        G   1   8.008  -3.179  -2.486
    4    H3*    G   1           H3*        G   1   9.027  -1.062  -0.605
    5    H2*    G   1           H2*        G   1  10.654  -0.425  -2.159
    6   2HO*    G   1          2HO*        G   1  11.529  -2.160  -3.122
    7    H1*    G   1           H1*        G   1   9.031  -0.680  -4.438
    8    H8     G   1           H8         G   1   6.983   0.879  -1.787
    9    H1     G   1           H1         G   1  11.005   5.074  -4.633
   10   1H2     G   1          1H2         G   1  12.362   4.046  -5.796
   11   2H2     G   1          2H2         G   1  12.404   2.306  -5.975
   12   1H5*    G   2          1H5*        G   2  12.674  -3.057  -1.558
   13   2H5*    G   2          2H5*        G   2  13.448  -3.417  -0.015
   14    H4*    G   2           H4*        G   2  15.019  -2.183  -1.253
   15    H3*    G   2           H3*        G   2  13.669  -0.478   0.833
   16    H2*    G   2           H2*        G   2  15.130   1.300   0.291
   17   2HO*    G   2          2HO*        G   2  17.000   0.770  -0.986
   18    H1*    G   2           H1*        G   2  14.856   0.957  -2.485
   19    H8     G   2           H8         G   2  11.696   0.552  -0.443
   20    H1     G   2           H1         G   2  12.852   6.602  -2.431
   21   1H2     G   2          1H2         G   2  14.723   6.698  -3.292
   22   2H2     G   2          2H2         G   2  15.816   5.341  -3.451
   23   1H5*    A   3          1H5*        A   3  17.443   0.095   1.499
   24   2H5*    A   3          2H5*        A   3  17.979   0.201   3.176
   25    H4*    A   3           H4*        A   3  18.377   2.304   2.120
   26    H3*    A   3           H3*        A   3  15.957   2.495   3.948
   27    H2*    A   3           H2*        A   3  16.304   4.830   3.856
   28   2HO*    A   3          2HO*        A   3  18.739   4.253   2.451
   29    H1*    A   3           H1*        A   3  16.858   4.869   1.110
   30    H8     A   3           H8         A   3  14.120   2.497   2.208
   31   1H6     A   3          1H6         A   3  10.163   7.187   1.072
   32   2H6     A   3          2H6         A   3  10.269   5.494   1.494
   33    H2     A   3           H2         A   3  14.308   8.731   0.646
   34   1H5*    C   4          1H5*        C   4  18.775   4.680   5.749
   35   2H5*    C   4          2H5*        C   4  18.752   4.728   7.512
   36    H4*    C   4           H4*        C   4  18.365   6.934   6.576
   37    H3*    C   4           H3*        C   4  15.915   5.756   7.930
   38    H2*    C   4           H2*        C   4  15.070   7.963   7.958
   39   2HO*    C   4          2HO*        C   4  17.068   8.861   8.640
   40    H1*    C   4           H1*        C   4  15.900   8.560   5.352
   41   1H4     C   4          1H4         C   4   9.851   6.651   4.651
   42   2H4     C   4          2H4         C   4  10.375   4.984   4.731
   43    H5     C   4           H5         C   4  12.596   4.322   5.184
   44    H6     C   4           H6         C   4  14.886   5.107   5.675
   45   1H5*    U   5          1H5*        U   5  17.169   8.884  10.088
   46   2H5*    U   5          2H5*        U   5  16.932   8.869  11.835
   47    H4*    U   5           H4*        U   5  15.754  10.729  10.806
   48    H3*    U   5           H3*        U   5  13.947   8.584  11.959
   49    H2*    U   5           H2*        U   5  12.180  10.141  11.762
   50   2HO*    U   5          2HO*        U   5  12.748  12.251  11.957
   51    H1*    U   5           H1*        U   5  12.925  11.018   9.212
   52    H3     U   5           H3         U   5   9.098   8.615   8.602
   53    H5     U   5           H5         U   5  12.120   5.730   8.888
   54    H6     U   5           H6         U   5  13.649   7.538   9.525
   55   1H5*    C   6          1H5*        C   6  13.478  12.000  14.154
   56   2H5*    C   6          2H5*        C   6  13.046  11.842  15.857
   57    H4*    C   6           H4*        C   6  11.319  13.032  14.655
   58    H3*    C   6           H3*        C   6  10.506  10.264  15.577
   59    H2*    C   6           H2*        C   6   8.279  10.856  15.057
   60   2HO*    C   6          2HO*        C   6   7.968  13.210  14.554
   61    H1*    C   6           H1*        C   6   8.916  12.079  12.624
   62   1H4     C   6          1H4         C   6   7.346   6.091  11.047
   63   2H4     C   6          2H4         C   6   8.978   5.582  11.419
   64    H5     C   6           H5         C   6  10.616   6.998  12.359
   65    H6     C   6           H6         C   6  11.097   9.276  13.183
   66   1H5*    G   7          1H5*        G   7   7.966  12.746  17.432
   67   2H5*    G   7          2H5*        G   7   8.037  12.660  19.192
   68    H4*    G   7           H4*        G   7   5.770  12.532  18.757
   69    H3*    G   7           H3*        G   7   6.908   9.809  19.215
   70    H2*    G   7           H2*        G   7   4.855   8.758  18.744
   71   2HO*    G   7          2HO*        G   7   4.110  11.278  19.519
   72    H1*    G   7           H1*        G   7   4.323  10.471  16.514
   73    H8     G   7           H8         G   7   7.764   8.955  16.653
   74    H1     G   7           H1         G   7   3.368   5.256  13.675
   75   1H2     G   7          1H2         G   7   1.490   6.066  13.941
   76   2H2     G   7          2H2         G   7   1.158   7.530  14.839
   77   1H5*    G   8          1H5*        G   8   3.764  10.571  21.305
   78   2H5*    G   8          2H5*        G   8   3.101  10.229  22.903
   79    H4*    G   8           H4*        G   8   2.261   8.585  21.412
   80    H3*    G   8           H3*        G   8   4.536   7.235  22.914
   81    H2*    G   8           H2*        G   8   3.265   5.291  22.486
   82   2HO*    G   8          2HO*        G   8   1.313   6.268  23.206
   83    H1*    G   8           H1*        G   8   2.482   6.104  19.912
   84    H8     G   8           H8         G   8   6.041   7.026  20.465
   85    H1     G   8           H1         G   8   5.244   0.818  18.819
   86   1H2     G   8          1H2         G   8   3.240   0.335  18.902
   87   2H2     G   8          2H2         G   8   1.966   1.447  19.351
   88   1H5*    C   9          1H5*        C   9   1.443   6.307  24.678
   89   2H5*    C   9          2H5*        C   9   1.115   5.872  26.354
   90    H4*    C   9           H4*        C   9   1.022   3.879  25.075
   91    H3*    C   9           H3*        C   9   3.708   3.959  26.499
   92    H2*    C   9           H2*        C   9   3.714   1.620  26.153
   93   2HO*    C   9          2HO*        C   9   1.161   1.498  25.046
   94    H1*    C   9           H1*        C   9   2.713   1.763  23.547
   95   1H4     C   9          1H4         C   9   9.070   1.585  22.877
   96   2H4     C   9          2H4         C   9   9.111   3.327  23.042
   97    H5     C   9           H5         C   9   7.223   4.642  23.571
   98    H6     C   9           H6         C   9   4.807   4.612  24.079
   99   1H5*    U  10          1H5*        U  10   1.461   1.076  28.186
  100   2H5*    U  10          2H5*        U  10   1.435   1.036  29.949
  101    H4*    U  10           H4*        U  10   1.939  -1.154  29.236
  102    H3*    U  10           H3*        U  10   4.321   0.316  30.320
  103    H2*    U  10           H2*        U  10   5.687  -1.586  30.000
  104   2HO*    U  10          2HO*        U  10   3.587  -3.146  28.974
  105    H1*    U  10           H1*        U  10   4.759  -2.112  27.417
  106    H3     U  10           H3         U  10   9.031  -0.591  26.912
  107    H5     U  10           H5         U  10   6.720   2.872  27.371
  108    H6     U  10           H6         U  10   4.827   1.414  27.924
  109   1H5*    U  11          1H5*        U  11   4.098  -3.324  31.994
  110   2H5*    U  11          2H5*        U  11   4.111  -3.418  33.755
  111    H4*    U  11           H4*        U  11   5.732  -4.948  33.061
  112    H3*    U  11           H3*        U  11   6.975  -2.380  33.996
  113    H2*    U  11           H2*        U  11   9.138  -3.255  33.621
  114   2HO*    U  11          2HO*        U  11   8.346  -5.334  34.462
  115    H1*    U  11           H1*        U  11   8.540  -4.298  31.099
  116    H3     U  11           H3         U  11  11.205  -0.756  30.141
  117    H5     U  11           H5         U  11   7.519   0.984  31.097
  118    H6     U  11           H6         U  11   6.751  -1.246  31.768
  119   1H5*    G  12          1H5*        G  12   8.772  -5.656  35.747
  120   2H5*    G  12          2H5*        G  12   8.905  -5.596  37.504
  121    H4*    G  12           H4*        G  12  11.036  -6.200  36.781
  122    H3*    G  12           H3*        G  12  10.896  -3.289  37.477
  123    H2*    G  12           H2*        G  12  13.142  -2.960  36.874
  124   2HO*    G  12          2HO*        G  12  14.010  -4.779  37.828
  125    H1*    G  12           H1*        G  12  13.053  -4.461  34.526
  126    H8     G  12           H8         G  12   9.982  -2.388  35.377
  127    H1     G  12           H1         G  12  14.327   0.600  31.626
  128   1H2     G  12          1H2         G  12  16.014  -0.574  31.455
  129   2H2     G  12          2H2         G  12  16.220  -2.137  32.216
  130   1H5*    C  13          1H5*        C  13  14.133  -5.106  39.127
  131   2H5*    C  13          2H5*        C  13  14.549  -4.766  40.808
  132    H4*    C  13           H4*        C  13  16.499  -4.345  39.571
  133    H3*    C  13           H3*        C  13  15.088  -1.802  40.339
  134    H2*    C  13           H2*        C  13  16.839  -0.535  39.384
  135   2HO*    C  13          2HO*        C  13  18.169  -3.020  38.861
  136    H1*    C  13           H1*        C  13  16.975  -2.041  37.037
  137   1H4     C  13          1H4         C  13  13.020   2.703  35.465
  138   2H4     C  13          2H4         C  13  11.739   1.953  36.391
  139    H5     C  13           H5         C  13  12.025   0.006  37.698
  140    H6     C  13           H6         C  13  13.628  -1.717  38.445
  141   1H5*    U  14          1H5*        U  14  18.814  -1.316  41.364
  142   2H5*    U  14          2H5*        U  14  19.177  -0.836  43.022
  143    H4*    U  14           H4*        U  14  20.259   0.742  41.671
  144    H3*    U  14           H3*        U  14  17.713   1.816  42.841
  145    H2*    U  14           H2*        U  14  18.079   3.913  41.812
  146   2HO*    U  14          2HO*        U  14  20.566   2.860  40.850
  147    H1*    U  14           H1*        U  14  18.756   2.825  39.320
  148    H3     U  14           H3         U  14  14.708   4.599  38.404
  149    H5     U  14           H5         U  14  13.800   1.310  40.831
  150    H6     U  14           H6         U  14  16.212   1.017  41.167
  151   1H5*    G  15          1H5*        G  15  21.114   4.554  43.716
  152   2H5*    G  15          2H5*        G  15  20.987   5.021  45.412
  153    H4*    G  15           H4*        G  15  21.301   7.018  44.212
  154    H3*    G  15           H3*        G  15  18.492   6.621  45.152
  155    H2*    G  15           H2*        G  15  17.776   8.632  44.138
  156   2HO*    G  15          2HO*        G  15  19.614   9.939  43.174
  157    H1*    G  15           H1*        G  15  19.093   8.133  41.709
  158    H8     G  15           H8         G  15  17.557   5.022  43.118
  159    H1     G  15           H1         G  15  13.429   8.648  39.699
  160   1H2     G  15          1H2         G  15  14.303  10.467  39.269
  161   2H2     G  15          2H2         G  15  15.914  10.938  39.761
  162   1H5*    G  16          1H5*        G  16  18.652  10.283  46.151
  163   2H5*    G  16          2H5*        G  16  17.941  10.617  47.730
  164    H4*    G  16           H4*        G  16  16.570  11.580  46.002
  165    H3*    G  16           H3*        G  16  15.292   9.161  47.312
  166    H2*    G  16           H2*        G  16  13.266   9.849  46.302
  167   2HO*    G  16          2HO*        G  16  14.189  12.122  46.847
  168    H1*    G  16           H1*        G  16  14.462  10.438  43.829
  169    H8     G  16           H8         G  16  15.807   7.332  45.486
  170    H1     G  16           H1         G  16  10.569   6.325  41.822
  171   1H2     G  16          1H2         G  16   9.783   8.137  41.230
  172   2H2     G  16          2H2         G  16  10.445   9.698  41.662
  173   1H5*    A  17          1H5*        A  17  13.051   8.319  49.260
  174   2H5*    A  17          2H5*        A  17  12.202   8.360  47.716
  175    H4*    A  17           H4*        A  17  10.902   8.047  49.970
  176    H3*    A  17           H3*        A  17   9.965   9.845  47.710
  177    H2*    A  17           H2*        A  17   7.872   9.874  48.805
  178   2HO*    A  17          2HO*        A  17   8.853   7.465  49.464
  179    H1*    A  17           H1*        A  17   8.970  10.144  51.376
  180    H8     A  17           H8         A  17  11.050  12.359  49.390
  181   1H6     A  17          1H6         A  17   6.449  16.575  49.477
  182   2H6     A  17          2H6         A  17   8.140  16.329  49.100
  183    H2     A  17           H2         A  17   4.815  12.705  50.924
  184   1H5*    G  18          1H5*        G  18   5.526   8.519  47.406
  185   2H5*    G  18          2H5*        G  18   6.029   7.974  45.806
  186    H4*    G  18           H4*        G  18   4.551   9.988  45.824
  187    H3*    G  18           H3*        G  18   7.162   9.868  44.414
  188    H2*    G  18           H2*        G  18   7.153  12.153  43.848
  189   2HO*    G  18          2HO*        G  18   4.690  11.707  43.634
  190    H1*    G  18           H1*        G  18   6.374  13.067  46.367
  191    H8     G  18           H8         G  18   8.830  10.193  45.678
  192    H1     G  18           H1         G  18  11.502  15.765  47.603
  193   1H2     G  18          1H2         G  18  10.030  17.187  47.847
  194   2H2     G  18          2H2         G  18   8.325  16.910  47.574
  195   1H5*    A  19          1H5*        A  19   4.191  11.625  42.077
  196   2H5*    A  19          2H5*        A  19   3.923  10.939  40.475
  197    H4*    A  19           H4*        A  19   4.031  13.189  40.017
  198    H3*    A  19           H3*        A  19   6.546  11.819  39.392
  199    H2*    A  19           H2*        A  19   7.891  13.755  39.237
  200   2HO*    A  19          2HO*        A  19   6.531  15.833  39.587
  201    H1*    A  19           H1*        A  19   7.025  14.872  41.631
  202    H8     A  19           H8         A  19   7.832  11.228  40.702
  203   1H6     A  19          1H6         A  19  12.602  11.814  44.683
  204   2H6     A  19          2H6         A  19  11.809  10.720  43.571
  205    H2     A  19           H2         A  19  10.340  15.639  44.651
  206   1H5*    C  20          1H5*        C  20   6.735  13.880  36.401
  207   2H5*    C  20          2H5*        C  20   7.259  13.167  34.875
  208    H4*    C  20           H4*        C  20   9.030  14.297  36.308
  209    H3*    C  20           H3*        C  20   9.386  11.472  35.284
  210    H2*    C  20           H2*        C  20  11.644  11.605  35.974
  211   2HO*    C  20          2HO*        C  20  11.388  13.962  35.177
  212    H1*    C  20           H1*        C  20  11.044  12.809  38.438
  213   1H4     C  20          1H4         C  20  11.488   6.619  39.894
  214   2H4     C  20          2H4         C  20   9.923   6.330  39.169
  215    H5     C  20           H5         C  20   8.671   7.982  38.036
  216    H6     C  20           H6         C  20   8.615  10.343  37.313
  217   1H5*    G  21          1H5*        G  21  12.255  13.968  33.859
  218   2H5*    G  21          2H5*        G  21  12.910  13.714  32.242
  219    H4*    G  21           H4*        G  21  14.699  13.643  33.835
  220    H3*    G  21           H3*        G  21  14.016  10.948  32.651
  221    H2*    G  21           H2*        G  21  15.949  10.072  33.680
  222   2HO*    G  21          2HO*        G  21  17.162  12.082  34.816
  223    H1*    G  21           H1*        G  21  15.535  11.463  36.106
  224    H8     G  21           H8         G  21  12.338  10.042  34.822
  225    H1     G  21           H1         G  21  15.930   5.752  38.072
  226   1H2     G  21          1H2         G  21  17.804   6.541  38.414
  227   2H2     G  21          2H2         G  21  18.325   8.128  37.897
  228   1H5*    G  22          1H5*        G  22  17.859  11.356  31.963
  229   2H5*    G  22          2H5*        G  22  18.353  11.139  30.284
  230    H4*    G  22           H4*        G  22  19.695   9.671  31.519
  231    H3*    G  22           H3*        G  22  17.427   8.205  30.186
  232    H2*    G  22           H2*        G  22  18.315   6.154  30.953
  233   2HO*    G  22          2HO*        G  22  20.512   6.703  32.224
  234    H1*    G  22           H1*        G  22  18.826   7.120  33.550
  235    H8     G  22           H8         G  22  15.543   8.315  32.192
  236    H1     G  22           H1         G  22  15.258   2.463  34.940
  237   1H2     G  22          1H2         G  22  17.167   1.797  35.343
  238   2H2     G  22          2H2         G  22  18.629   2.691  34.989
  239   1H5*    C  23          1H5*        C  23  20.751   6.300  29.351
  240   2H5*    C  23          2H5*        C  23  21.069   5.833  27.681
  241    H4*    C  23           H4*        C  23  21.212   3.850  28.920
  242    H3*    C  23           H3*        C  23  18.511   4.016  27.566
  243    H2*    C  23           H2*        C  23  18.150   1.766  28.199
  244   2HO*    C  23          2HO*        C  23  20.633   1.430  29.419
  245    H1*    C  23           H1*        C  23  19.135   2.122  30.806
  246   1H4     C  23          1H4         C  23  12.826   2.762  31.484
  247   2H4     C  23          2H4         C  23  12.914   4.374  30.812
  248    H5     C  23           H5         C  23  14.892   5.333  29.947
  249    H6     C  23           H6         C  23  17.296   4.976  29.511
  250   1H5*    A  24          1H5*        A  24  20.838   0.693  26.551
  251   2H5*    A  24          2H5*        A  24  20.823   0.218  24.853
  252    H4*    A  24           H4*        A  24  20.428  -1.756  26.045
  253    H3*    A  24           H3*        A  24  17.959  -0.635  24.797
  254    H2*    A  24           H2*        A  24  16.597  -2.326  25.730
  255   2HO*    A  24          2HO*        A  24  17.661  -4.208  25.897
  256    H1*    A  24           H1*        A  24  17.710  -2.110  28.297
  257    H8     A  24           H8         A  24  17.257   1.213  26.594
  258   1H6     A  24          1H6         A  24  11.548   1.316  29.112
  259   2H6     A  24          2H6         A  24  12.722   2.260  28.224
  260    H2     A  24           H2         A  24  13.320  -2.690  29.852
  261   1H5*    A  25          1H5*        A  25  18.353  -4.687  24.302
  262   2H5*    A  25          2H5*        A  25  17.949  -5.411  22.746
  263    H4*    A  25           H4*        A  25  16.720  -6.566  24.414
  264    H3*    A  25           H3*        A  25  15.054  -4.733  22.716
  265    H2*    A  25           H2*        A  25  13.095  -5.426  23.841
  266   2HO*    A  25          2HO*        A  25  14.890  -7.484  24.363
  267    H1*    A  25           H1*        A  25  14.194  -5.214  26.398
  268    H8     A  25           H8         A  25  15.429  -2.479  24.151
  269   1H6     A  25          1H6         A  25  10.398   0.770  25.906
  270   2H6     A  25          2H6         A  25  11.912   0.863  25.035
  271    H2     A  25           H2         A  25   9.991  -3.372  27.461
  272   1H5*    G  26          1H5*        G  26  13.135  -8.094  22.885
  273   2H5*    G  26          2H5*        G  26  12.698  -8.891  21.374
  274    H4*    G  26           H4*        G  26  10.718  -8.727  22.648
  275    H3*    G  26           H3*        G  26  10.781  -6.628  20.471
  276    H2*    G  26           H2*        G  26   8.539  -6.127  20.982
  277   2HO*    G  26          2HO*        G  26   7.328  -7.810  21.712
  278    H1*    G  26           H1*        G  26   8.831  -6.198  23.743
  279    H8     G  26           H8         G  26  11.886  -4.811  22.039
  280    H1     G  26           H1         G  26   7.288  -0.411  23.212
  281   1H2     G  26          1H2         G  26   5.576  -1.361  23.862
  282   2H2     G  26          2H2         G  26   5.412  -3.091  24.061
  283   1H5*    A  27          1H5*        A  27   8.259  -9.904  19.259
  284   2H5*    A  27          2H5*        A  27   7.487  -9.847  17.674
  285    H4*    A  27           H4*        A  27   6.200  -8.911  19.673
  286    H3*    A  27           H3*        A  27   6.568  -7.259  17.152
  287    H2*    A  27           H2*        A  27   4.846  -5.877  17.982
  288   2HO*    A  27          2HO*        A  27   3.338  -6.847  19.275
  289    H1*    A  27           H1*        A  27   5.772  -5.920  20.635
  290    H8     A  27           H8         A  27   8.665  -5.663  18.308
  291   1H6     A  27          1H6         A  27   7.731   0.508  18.287
  292   2H6     A  27          2H6         A  27   8.831  -0.761  17.799
  293    H2     A  27           H2         A  27   4.279  -1.413  20.321
  294   1H5*    G  28          1H5*        G  28   2.294  -7.288  18.083
  295   2H5*    G  28          2H5*        G  28   1.553  -7.235  16.483
  296    H4*    G  28           H4*        G  28   1.033  -5.284  17.945
  297    H3*    G  28           H3*        G  28   2.218  -4.969  15.217
  298    H2*    G  28           H2*        G  28   2.288  -2.618  15.428
  299   2HO*    G  28          2HO*        G  28   0.318  -3.336  17.159
  300    H1*    G  28           H1*        G  28   3.364  -2.651  18.018
  301    H8     G  28           H8         G  28   4.794  -5.304  15.760
  302    H1     G  28           H1         G  28   7.799   0.414  15.357
  303   1H2     G  28          1H2         G  28   6.731   1.829  16.409
  304   2H2     G  28          2H2         G  28   5.243   1.514  17.273
  305   1H5*    G  29          1H5*        G  29  -2.659  -3.596  13.020
  306   2H5*    G  29          2H5*        G  29  -1.283  -4.332  12.198
  307    H4*    G  29           H4*        G  29  -1.182  -2.379  14.507
  308    H3*    G  29           H3*        G  29  -0.009  -1.995  11.737
  309    H2*    G  29           H2*        G  29   0.417   0.140  12.629
  310   2HO*    G  29          2HO*        G  29  -1.043   0.196  14.858
  311    H1*    G  29           H1*        G  29   0.839  -0.749  15.255
  312    H8     G  29           H8         G  29   2.338  -3.104  12.763
  313    H1     G  29           H1         G  29   6.142   1.932  14.196
  314   1H2     G  29          1H2         G  29   5.076   3.306  15.304
  315   2H2     G  29          2H2         G  29   3.402   3.122  15.774
  316   1H5*    C  30          1H5*        C  30  -0.200   0.228   9.261
  317   2H5*    C  30          2H5*        C  30  -0.576  -0.107  10.951
  318    H4*    C  30           H4*        C  30  -2.788   1.280   9.754
  319    H3*    C  30           H3*        C  30  -0.182   2.275   8.837
  320    H2*    C  30           H2*        C  30  -0.396   4.450   9.716
  321   2HO*    C  30          2HO*        C  30  -3.071   3.487  10.103
  322    H1*    C  30           H1*        C  30  -1.205   3.711  12.239
  323   1H4     C  30          1H4         C  30   5.165   3.728  12.661
  324   2H4     C  30          2H4         C  30   5.203   2.103  12.016
  325    H5     C  30           H5         C  30   3.293   0.952  11.236
  326    H6     C  30           H6         C  30   0.854   1.081  10.878
  327   1H5*    G  31          1H5*        G  31  -2.802   5.217   7.931
  328   2H5*    G  31          2H5*        G  31  -2.777   5.780   6.260
  329    H4*    G  31           H4*        G  31  -2.454   7.670   7.659
  330    H3*    G  31           H3*        G  31   0.078   6.791   6.274
  331    H2*    G  31           H2*        G  31   1.159   8.720   7.103
  332   2HO*    G  31          2HO*        G  31  -1.068   9.752   6.667
  333    H1*    G  31           H1*        G  31   0.129   8.483   9.690
  334    H8     G  31           H8         G  31   0.933   5.104   8.323
  335    H1     G  31           H1         G  31   6.069   8.183  10.779
  336   1H2     G  31          1H2         G  31   5.572  10.144  11.174
  337   2H2     G  31          2H2         G  31   3.998  10.851  10.883
  338   1H5*    A  32          1H5*        A  32  -0.861  10.704   5.493
  339   2H5*    A  32          2H5*        A  32  -0.572  11.329   3.869
  340    H4*    A  32           H4*        A  32   0.547  12.748   5.420
  341    H3*    A  32           H3*        A  32   2.386  11.000   3.802
  342    H2*    A  32           H2*        A  32   4.257  12.072   4.771
  343   2HO*    A  32          2HO*        A  32   2.545  13.798   6.241
  344    H1*    A  32           H1*        A  32   3.242  11.973   7.383
  345    H8     A  32           H8         A  32   2.442   8.820   5.548
  346   1H6     A  32          1H6         A  32   8.041   6.724   7.339
  347   2H6     A  32          2H6         A  32   6.528   6.264   6.590
  348    H2     A  32           H2         A  32   7.785  11.044   8.350
  349   1H5*    G  33          1H5*        G  33   3.572  14.958   3.612
  350   2H5*    G  33          2H5*        G  33   3.646  15.576   1.963
  351    H4*    G  33           H4*        G  33   5.620  16.342   2.886
  352    H3*    G  33           H3*        G  33   6.115  13.833   1.332
  353    H2*    G  33           H2*        G  33   8.414  13.861   1.893
  354   2HO*    G  33          2HO*        G  33   9.165  15.839   3.010
  355    H1*    G  33           H1*        G  33   7.959  14.368   4.615
  356    H8     G  33           H8         G  33   5.475  11.967   3.135
  357    H1     G  33           H1         G  33  10.936   9.171   5.192
  358   1H2     G  33          1H2         G  33  12.311  10.626   5.685
  359   2H2     G  33          2H2         G  33  12.028  12.347   5.559
  360   1H5*    U  34          1H5*        U  34   8.942  16.552   0.409
  361   2H5*    U  34          2H5*        U  34   9.164  16.949  -1.294
  362    H4*    U  34           H4*        U  34  11.312  16.494  -0.488
  363    H3*    U  34           H3*        U  34  10.203  14.150  -2.015
  364    H2*    U  34           H2*        U  34  12.248  13.002  -1.746
  365   2HO*    U  34          2HO*        U  34  13.745  14.764  -0.394
  366    H1*    U  34           H1*        U  34  12.529  13.632   0.964
  367    H3     U  34           H3         U  34  11.558   9.202   1.025
  368    H5     U  34           H5         U  34   7.875  11.034   0.241
  369    H6     U  34           H6         U  34   9.086  13.155   0.028
  370   1H5*    C  35          1H5*        C  35  13.959  15.073  -3.628
  371   2H5*    C  35          2H5*        C  35  13.892  15.258  -5.380
  372    H4*    C  35           H4*        C  35  15.662  13.786  -5.018
  373    H3*    C  35           H3*        C  35  13.179  12.285  -5.817
  374    H2*    C  35           H2*        C  35  14.388  10.257  -5.797
  375   2HO*    C  35          2HO*        C  35  16.743  10.456  -5.649
  376    H1*    C  35           H1*        C  35  15.668  10.750  -3.367
  377   1H4     C  35          1H4         C  35  10.507   7.423  -1.653
  378   2H4     C  35          2H4         C  35   9.514   8.848  -1.857
  379    H5     C  35           H5         C  35  10.322  10.905  -2.690
  380    H6     C  35           H6         C  35  12.301  12.113  -3.541
  381   1H5*    C  36          1H5*        C  36  16.041  10.883  -8.843
  382   2H5*    C  36          2H5*        C  36  15.215  11.177 -10.373
  383    H4*    C  36           H4*        C  36  15.868   8.915 -10.400
  384    H3*    C  36           H3*        C  36  12.937   9.290  -9.893
  385    H2*    C  36           H2*        C  36  12.605   6.951  -9.796
  386   2HO*    C  36          2HO*        C  36  15.248   6.232 -10.221
  387    H1*    C  36           H1*        C  36  14.825   6.492  -8.136
  388   1H4     C  36          1H4         C  36  10.013   6.828  -3.978
  389   2H4     C  36          2H4         C  36   9.877   8.551  -4.249
  390    H5     C  36           H5         C  36  11.163   9.737  -5.836
  391    H6     C  36           H6         C  36  12.913   9.561  -7.569
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   4.054  -2.592  -1.950
    2   2H5*    G   1          2H5*        G   1   5.156  -3.219  -0.724
    3    H4*    G   1           H4*        G   1   6.196  -3.341  -2.890
    4    H3*    G   1           H3*        G   1   7.386  -1.335  -0.986
    5    H2*    G   1           H2*        G   1   9.040  -0.803  -2.549
    6   2HO*    G   1          2HO*        G   1   9.757  -2.506  -3.713
    7    H1*    G   1           H1*        G   1   7.380  -0.927  -4.816
    8    H8     G   1           H8         G   1   5.468   0.787  -2.170
    9    H1     G   1           H1         G   1   9.838   4.647  -4.977
   10   1H2     G   1          1H2         G   1  11.114   3.515  -6.135
   11   2H2     G   1          2H2         G   1  11.015   1.778  -6.318
   12   1H5*    G   2          1H5*        G   2  10.842  -3.578  -2.143
   13   2H5*    G   2          2H5*        G   2  11.721  -3.918  -0.652
   14    H4*    G   2           H4*        G   2  13.196  -2.771  -2.120
   15    H3*    G   2           H3*        G   2  12.197  -0.949   0.085
   16    H2*    G   2           H2*        G   2  13.869   0.580  -0.569
   17   2HO*    G   2          2HO*        G   2  15.632  -0.671  -0.913
   18    H1*    G   2           H1*        G   2  13.458   0.257  -3.314
   19    H8     G   2           H8         G   2  10.316   0.196  -1.211
   20    H1     G   2           H1         G   2  12.098   6.092  -3.196
   21   1H2     G   2          1H2         G   2  13.953   5.985  -4.091
   22   2H2     G   2          2H2         G   2  14.887   4.518  -4.276
   23   1H5*    A   3          1H5*        A   3  16.102  -0.806   0.353
   24   2H5*    A   3          2H5*        A   3  16.743  -0.700   1.992
   25    H4*    A   3           H4*        A   3  17.312   1.264   0.648
   26    H3*    A   3           H3*        A   3  15.379   1.894   2.910
   27    H2*    A   3           H2*        A   3  16.116   4.111   2.646
   28   2HO*    A   3          2HO*        A   3  18.153   4.334   1.333
   29    H1*    A   3           H1*        A   3  16.222   4.094  -0.121
   30    H8     A   3           H8         A   3  13.384   1.966   1.107
   31   1H6     A   3          1H6         A   3   9.928   7.164   1.066
   32   2H6     A   3          2H6         A   3   9.874   5.425   1.261
   33    H2     A   3           H2         A   3  14.158   8.300   0.312
   34   1H5*    C   4          1H5*        C   4  18.627   3.914   4.350
   35   2H5*    C   4          2H5*        C   4  18.652   3.732   6.103
   36    H4*    C   4           H4*        C   4  18.385   6.072   5.347
   37    H3*    C   4           H3*        C   4  16.045   4.941   6.921
   38    H2*    C   4           H2*        C   4  15.451   7.197   7.296
   39   2HO*    C   4          2HO*        C   4  17.357   8.171   7.766
   40    H1*    C   4           H1*        C   4  15.988   8.027   4.684
   41   1H4     C   4          1H4         C   4   9.745   6.664   4.697
   42   2H4     C   4          2H4         C   4  10.130   4.984   4.395
   43    H5     C   4           H5         C   4  12.329   4.123   4.361
   44    H6     C   4           H6         C   4  14.724   4.668   4.611
   45   1H5*    U   5          1H5*        U   5  17.734   8.091   9.014
   46   2H5*    U   5          2H5*        U   5  17.469   7.958  10.752
   47    H4*    U   5           H4*        U   5  16.455   9.975   9.746
   48    H3*    U   5           H3*        U   5  14.535   7.984  10.996
   49    H2*    U   5           H2*        U   5  12.930   9.711  10.939
   50   2HO*    U   5          2HO*        U   5  13.691  11.833  10.908
   51    H1*    U   5           H1*        U   5  13.597  10.611   8.385
   52    H3     U   5           H3         U   5   9.557   8.530   7.961
   53    H5     U   5           H5         U   5  12.364   5.424   7.888
   54    H6     U   5           H6         U   5  14.067   7.081   8.495
   55   1H5*    C   6          1H5*        C   6  14.254  11.605  13.398
   56   2H5*    C   6          2H5*        C   6  14.150  11.082  15.079
   57    H4*    C   6           H4*        C   6  12.320  12.565  14.555
   58    H3*    C   6           H3*        C   6  11.575   9.692  15.072
   59    H2*    C   6           H2*        C   6   9.289  10.276  14.949
   60   2HO*    C   6          2HO*        C   6  10.162  12.997  14.677
   61    H1*    C   6           H1*        C   6   9.564  11.845  12.654
   62   1H4     C   6          1H4         C   6   7.910   6.101  10.416
   63   2H4     C   6          2H4         C   6   9.573   5.576  10.559
   64    H5     C   6           H5         C   6  11.289   6.884  11.519
   65    H6     C   6           H6         C   6  11.836   9.040  12.591
   66   1H5*    G   7          1H5*        G   7   9.571  12.439  17.701
   67   2H5*    G   7          2H5*        G   7   9.458  11.854  19.361
   68    H4*    G   7           H4*        G   7   7.291  12.568  18.679
   69    H3*    G   7           H3*        G   7   7.613   9.595  18.930
   70    H2*    G   7           H2*        G   7   5.348   9.261  18.369
   71   2HO*    G   7          2HO*        G   7   4.025  10.862  19.028
   72    H1*    G   7           H1*        G   7   5.338  11.070  16.239
   73    H8     G   7           H8         G   7   8.573   9.196  16.363
   74    H1     G   7           H1         G   7   3.828   5.989  13.348
   75   1H2     G   7          1H2         G   7   2.039   6.968  13.644
   76   2H2     G   7          2H2         G   7   1.851   8.440  14.571
   77   1H5*    G   8          1H5*        G   8   3.286  10.042  20.017
   78   2H5*    G   8          2H5*        G   8   3.662  10.089  21.739
   79    H4*    G   8           H4*        G   8   1.795   8.605  21.299
   80    H3*    G   8           H3*        G   8   4.319   7.439  22.394
   81    H2*    G   8           H2*        G   8   3.422   5.253  22.380
   82   2HO*    G   8          2HO*        G   8   1.266   5.184  22.679
   83    H1*    G   8           H1*        G   8   2.354   5.487  19.787
   84    H8     G   8           H8         G   8   5.717   7.078  19.926
   85    H1     G   8           H1         G   8   5.954   0.650  19.209
   86   1H2     G   8          1H2         G   8   4.075  -0.146  19.508
   87   2H2     G   8          2H2         G   8   2.648   0.789  19.896
   88   1H5*    C   9          1H5*        C   9   1.295   5.875  24.363
   89   2H5*    C   9          2H5*        C   9   1.330   5.828  26.126
   90    H4*    C   9           H4*        C   9   0.987   3.609  25.339
   91    H3*    C   9           H3*        C   9   3.809   4.033  26.349
   92    H2*    C   9           H2*        C   9   4.108   1.692  26.231
   93   2HO*    C   9          2HO*        C   9   1.817   0.690  25.484
   94    H1*    C   9           H1*        C   9   2.868   1.441  23.726
   95   1H4     C   9          1H4         C   9   9.114   1.791  22.429
   96   2H4     C   9          2H4         C   9   9.011   3.537  22.492
   97    H5     C   9           H5         C   9   7.067   4.718  23.127
   98    H6     C   9           H6         C   9   4.720   4.512  23.865
   99   1H5*    U  10          1H5*        U  10   1.825   1.153  28.424
  100   2H5*    U  10          2H5*        U  10   2.054   1.045  30.169
  101    H4*    U  10           H4*        U  10   2.488  -1.095  29.156
  102    H3*    U  10           H3*        U  10   4.857   0.323  30.339
  103    H2*    U  10           H2*        U  10   6.249  -1.514  29.824
  104   2HO*    U  10          2HO*        U  10   3.779  -2.774  29.040
  105    H1*    U  10           H1*        U  10   5.256  -1.841  27.225
  106    H3     U  10           H3         U  10   9.538  -0.259  26.852
  107    H5     U  10           H5         U  10   7.166   3.143  27.434
  108    H6     U  10           H6         U  10   5.293   1.634  27.915
  109   1H5*    U  11          1H5*        U  11   4.705  -3.459  31.698
  110   2H5*    U  11          2H5*        U  11   4.738  -3.700  33.444
  111    H4*    U  11           H4*        U  11   6.358  -5.156  32.569
  112    H3*    U  11           H3*        U  11   7.563  -2.711  33.820
  113    H2*    U  11           H2*        U  11   9.744  -3.486  33.343
  114   2HO*    U  11          2HO*        U  11   8.627  -5.711  33.788
  115    H1*    U  11           H1*        U  11   9.145  -4.224  30.705
  116    H3     U  11           H3         U  11  11.831  -0.611  30.166
  117    H5     U  11           H5         U  11   8.170   1.026  31.372
  118    H6     U  11           H6         U  11   7.388  -1.264  31.766
  119   1H5*    G  12          1H5*        G  12   9.637  -6.160  35.049
  120   2H5*    G  12          2H5*        G  12   9.711  -6.248  36.809
  121    H4*    G  12           H4*        G  12  11.893  -6.673  36.096
  122    H3*    G  12           H3*        G  12  11.537  -3.906  37.147
  123    H2*    G  12           H2*        G  12  13.715  -3.260  36.570
  124   2HO*    G  12          2HO*        G  12  14.832  -5.479  35.623
  125    H1*    G  12           H1*        G  12  13.732  -4.518  34.056
  126    H8     G  12           H8         G  12  10.591  -2.686  35.181
  127    H1     G  12           H1         G  12  14.688   0.847  31.629
  128   1H2     G  12          1H2         G  12  16.415  -0.230  31.295
  129   2H2     G  12          2H2         G  12  16.708  -1.849  31.888
  130   1H5*    C  13          1H5*        C  13  15.103  -5.439  38.533
  131   2H5*    C  13          2H5*        C  13  15.295  -5.365  40.283
  132    H4*    C  13           H4*        C  13  17.266  -4.446  39.460
  133    H3*    C  13           H3*        C  13  15.353  -2.313  40.330
  134    H2*    C  13           H2*        C  13  16.865  -0.609  39.697
  135   2HO*    C  13          2HO*        C  13  18.627  -1.952  40.531
  136    H1*    C  13           H1*        C  13  17.475  -1.776  37.217
  137   1H4     C  13          1H4         C  13  12.923   2.424  35.726
  138   2H4     C  13          2H4         C  13  11.720   1.413  36.494
  139    H5     C  13           H5         C  13  12.224  -0.579  37.658
  140    H6     C  13           H6         C  13  14.026  -2.106  38.380
  141   1H5*    U  14          1H5*        U  14  18.889  -1.411  41.923
  142   2H5*    U  14          2H5*        U  14  18.974  -1.022  43.642
  143    H4*    U  14           H4*        U  14  19.925   0.786  42.407
  144    H3*    U  14           H3*        U  14  17.260   1.382  43.664
  145    H2*    U  14           H2*        U  14  17.399   3.624  42.927
  146   2HO*    U  14          2HO*        U  14  19.593   3.894  43.396
  147    H1*    U  14           H1*        U  14  18.230   2.956  40.335
  148    H3     U  14           H3         U  14  14.010   4.425  39.626
  149    H5     U  14           H5         U  14  13.468   0.674  41.409
  150    H6     U  14           H6         U  14  15.892   0.607  41.774
  151   1H5*    G  15          1H5*        G  15  20.400   4.224  44.692
  152   2H5*    G  15          2H5*        G  15  20.399   4.542  46.427
  153    H4*    G  15           H4*        G  15  20.572   6.648  45.437
  154    H3*    G  15           H3*        G  15  17.831   6.065  46.448
  155    H2*    G  15           H2*        G  15  16.952   8.086  45.590
  156   2HO*    G  15          2HO*        G  15  18.981   9.270  44.401
  157    H1*    G  15           H1*        G  15  18.154   7.785  43.070
  158    H8     G  15           H8         G  15  16.835   4.551  44.454
  159    H1     G  15           H1         G  15  12.410   8.055  41.286
  160   1H2     G  15          1H2         G  15  13.181   9.920  40.863
  161   2H2     G  15          2H2         G  15  14.789  10.454  41.300
  162   1H5*    G  16          1H5*        G  16  18.296   9.655  48.236
  163   2H5*    G  16          2H5*        G  16  17.628   9.720  49.867
  164    H4*    G  16           H4*        G  16  16.285  11.058  48.387
  165    H3*    G  16           H3*        G  16  14.969   8.537  49.387
  166    H2*    G  16           H2*        G  16  12.945   9.224  48.379
  167   2HO*    G  16          2HO*        G  16  13.977  11.634  47.407
  168    H1*    G  16           H1*        G  16  14.185  10.031  45.980
  169    H8     G  16           H8         G  16  15.557   6.822  47.372
  170    H1     G  16           H1         G  16  10.323   6.049  43.646
  171   1H2     G  16          1H2         G  16   9.505   7.892  43.215
  172   2H2     G  16          2H2         G  16  10.143   9.420  43.780
  173   1H5*    A  17          1H5*        A  17  12.739   7.644  50.568
  174   2H5*    A  17          2H5*        A  17  11.747   8.294  49.262
  175    H4*    A  17           H4*        A  17  10.746   6.989  51.378
  176    H3*    A  17           H3*        A  17   9.515   9.139  49.674
  177    H2*    A  17           H2*        A  17   7.546   9.059  50.978
  178   2HO*    A  17          2HO*        A  17   7.806   6.693  51.050
  179    H1*    A  17           H1*        A  17   8.891   9.049  53.431
  180    H8     A  17           H8         A  17  10.912  11.407  51.610
  181   1H6     A  17          1H6         A  17   6.420  15.689  52.277
  182   2H6     A  17          2H6         A  17   8.094  15.449  51.828
  183    H2     A  17           H2         A  17   4.730  11.722  53.353
  184   1H5*    G  18          1H5*        G  18   5.023   8.146  49.601
  185   2H5*    G  18          2H5*        G  18   5.386   7.568  47.975
  186    H4*    G  18           H4*        G  18   4.088   9.666  48.003
  187    H3*    G  18           H3*        G  18   6.716   9.467  46.622
  188    H2*    G  18           H2*        G  18   6.753  11.763  46.065
  189   2HO*    G  18          2HO*        G  18   4.318  11.442  45.803
  190    H1*    G  18           H1*        G  18   6.022  12.642  48.616
  191    H8     G  18           H8         G  18   8.433   9.744  47.888
  192    H1     G  18           H1         G  18  11.208  15.303  49.696
  193   1H2     G  18          1H2         G  18   9.757  16.747  49.950
  194   2H2     G  18          2H2         G  18   8.044  16.490  49.709
  195   1H5*    A  19          1H5*        A  19   3.775  11.157  44.236
  196   2H5*    A  19          2H5*        A  19   3.463  10.475  42.639
  197    H4*    A  19           H4*        A  19   3.629  12.702  42.140
  198    H3*    A  19           H3*        A  19   6.157  11.318  41.591
  199    H2*    A  19           H2*        A  19   7.493  13.259  41.417
  200   2HO*    A  19          2HO*        A  19   6.031  14.573  40.356
  201    H1*    A  19           H1*        A  19   6.552  14.421  43.771
  202    H8     A  19           H8         A  19   7.465  10.775  42.958
  203   1H6     A  19          1H6         A  19  12.173  11.607  46.970
  204   2H6     A  19          2H6         A  19  11.420  10.458  45.886
  205    H2     A  19           H2         A  19   9.821  15.372  46.788
  206   1H5*    C  20          1H5*        C  20   5.487  13.075  37.946
  207   2H5*    C  20          2H5*        C  20   6.071  12.165  36.553
  208    H4*    C  20           H4*        C  20   7.703  13.687  37.870
  209    H3*    C  20           H3*        C  20   8.327  10.886  36.928
  210    H2*    C  20           H2*        C  20  10.562  11.200  37.629
  211   2HO*    C  20          2HO*        C  20  11.272  13.257  37.485
  212    H1*    C  20           H1*        C  20   9.882  12.355  40.082
  213   1H4     C  20          1H4         C  20  10.625   6.181  41.498
  214   2H4     C  20          2H4         C  20   9.051   5.834  40.819
  215    H5     C  20           H5         C  20   7.706   7.440  39.726
  216    H6     C  20           H6         C  20   7.540   9.796  39.008
  217   1H5*    G  21          1H5*        G  21  11.056  13.716  35.555
  218   2H5*    G  21          2H5*        G  21  11.498  13.583  33.852
  219    H4*    G  21           H4*        G  21  13.519  13.758  35.050
  220    H3*    G  21           H3*        G  21  12.954  10.980  34.077
  221    H2*    G  21           H2*        G  21  14.974  10.184  35.008
  222   2HO*    G  21          2HO*        G  21  15.603  12.659  34.439
  223    H1*    G  21           H1*        G  21  14.609  11.554  37.451
  224    H8     G  21           H8         G  21  11.437   9.989  36.236
  225    H1     G  21           H1         G  21  15.261   5.905  39.489
  226   1H2     G  21          1H2         G  21  17.101   6.784  39.800
  227   2H2     G  21          2H2         G  21  17.541   8.388  39.261
  228   1H5*    G  22          1H5*        G  22  17.079  11.908  32.704
  229   2H5*    G  22          2H5*        G  22  17.132  11.385  31.020
  230    H4*    G  22           H4*        G  22  18.967  10.447  32.342
  231    H3*    G  22           H3*        G  22  16.972   8.592  31.088
  232    H2*    G  22           H2*        G  22  18.138   6.708  31.906
  233   2HO*    G  22          2HO*        G  22  20.091   8.376  31.545
  234    H1*    G  22           H1*        G  22  18.481   7.747  34.486
  235    H8     G  22           H8         G  22  15.105   8.640  33.163
  236    H1     G  22           H1         G  22  15.395   2.693  35.697
  237   1H2     G  22          1H2         G  22  17.361   2.197  36.067
  238   2H2     G  22          2H2         G  22  18.729   3.238  35.740
  239   1H5*    C  23          1H5*        C  23  20.688   7.118  29.869
  240   2H5*    C  23          2H5*        C  23  20.747   6.885  28.122
  241    H4*    C  23           H4*        C  23  21.401   4.849  29.196
  242    H3*    C  23           H3*        C  23  18.715   4.763  27.845
  243    H2*    C  23           H2*        C  23  18.530   2.462  28.348
  244   2HO*    C  23          2HO*        C  23  20.770   2.118  27.836
  245    H1*    C  23           H1*        C  23  19.398   2.751  31.003
  246   1H4     C  23          1H4         C  23  13.034   2.821  31.446
  247   2H4     C  23          2H4         C  23  13.020   4.492  30.932
  248    H5     C  23           H5         C  23  14.946   5.674  30.245
  249    H6     C  23           H6         C  23  17.384   5.540  29.879
  250   1H5*    A  24          1H5*        A  24  21.412   1.646  26.216
  251   2H5*    A  24          2H5*        A  24  21.008   1.301  24.533
  252    H4*    A  24           H4*        A  24  20.954  -0.725  25.861
  253    H3*    A  24           H3*        A  24  18.396   0.244  24.655
  254    H2*    A  24           H2*        A  24  17.176  -1.547  25.596
  255   2HO*    A  24          2HO*        A  24  18.327  -3.370  26.179
  256    H1*    A  24           H1*        A  24  18.324  -1.282  28.142
  257    H8     A  24           H8         A  24  17.586   1.997  26.435
  258   1H6     A  24          1H6         A  24  11.985   1.730  29.175
  259   2H6     A  24          2H6         A  24  13.054   2.743  28.230
  260    H2     A  24           H2         A  24  14.068  -2.129  29.890
  261   1H5*    A  25          1H5*        A  25  19.005  -3.977  23.426
  262   2H5*    A  25          2H5*        A  25  18.271  -4.255  21.847
  263    H4*    A  25           H4*        A  25  17.387  -5.724  23.631
  264    H3*    A  25           H3*        A  25  15.565  -3.914  22.088
  265    H2*    A  25           H2*        A  25  13.681  -4.701  23.280
  266   2HO*    A  25          2HO*        A  25  13.905  -6.664  24.417
  267    H1*    A  25           H1*        A  25  14.909  -4.518  25.791
  268    H8     A  25           H8         A  25  15.905  -1.627  23.648
  269   1H6     A  25          1H6         A  25  10.727   1.233  25.637
  270   2H6     A  25          2H6         A  25  12.219   1.456  24.751
  271    H2     A  25           H2         A  25  10.583  -2.999  26.986
  272   1H5*    G  26          1H5*        G  26  13.742  -7.490  22.337
  273   2H5*    G  26          2H5*        G  26  13.532  -8.268  20.768
  274    H4*    G  26           H4*        G  26  11.473  -8.534  21.818
  275    H3*    G  26           H3*        G  26  11.406  -6.267  19.860
  276    H2*    G  26           H2*        G  26   9.157  -5.801  20.378
  277   2HO*    G  26          2HO*        G  26   9.306  -8.209  21.952
  278    H1*    G  26           H1*        G  26   9.467  -6.013  23.149
  279    H8     G  26           H8         G  26  12.384  -4.387  21.392
  280    H1     G  26           H1         G  26   7.673  -0.287  23.088
  281   1H2     G  26          1H2         G  26   6.046  -1.352  23.771
  282   2H2     G  26          2H2         G  26   5.969  -3.097  23.869
  283   1H5*    A  27          1H5*        A  27   9.126  -9.801  18.370
  284   2H5*    A  27          2H5*        A  27   8.436  -9.722  16.748
  285    H4*    A  27           H4*        A  27   6.840  -9.243  18.612
  286    H3*    A  27           H3*        A  27   7.277  -7.229  16.408
  287    H2*    A  27           H2*        A  27   5.513  -5.929  17.286
  288   2HO*    A  27          2HO*        A  27   4.359  -7.111  19.168
  289    H1*    A  27           H1*        A  27   6.352  -6.314  19.976
  290    H8     A  27           H8         A  27   9.204  -5.503  17.711
  291   1H6     A  27          1H6         A  27   7.920   0.515  18.753
  292   2H6     A  27          2H6         A  27   9.082  -0.584  18.044
  293    H2     A  27           H2         A  27   4.625  -1.925  20.464
  294   1H5*    G  28          1H5*        G  28   2.755  -7.473  16.908
  295   2H5*    G  28          2H5*        G  28   2.282  -6.988  15.279
  296    H4*    G  28           H4*        G  28   1.702  -5.446  17.256
  297    H3*    G  28           H3*        G  28   2.846  -4.574  14.625
  298    H2*    G  28           H2*        G  28   2.835  -2.314  15.316
  299   2HO*    G  28          2HO*        G  28   0.739  -2.869  16.410
  300    H1*    G  28           H1*        G  28   3.969  -2.811  17.813
  301    H8     G  28           H8         G  28   5.449  -5.068  15.216
  302    H1     G  28           H1         G  28   8.195   0.787  15.448
  303   1H2     G  28          1H2         G  28   7.083   2.022  16.669
  304   2H2     G  28          2H2         G  28   5.623   1.542  17.506
  305   1H5*    G  29          1H5*        G  29  -1.863  -3.881  14.409
  306   2H5*    G  29          2H5*        G  29  -2.016  -3.187  12.795
  307    H4*    G  29           H4*        G  29  -0.981  -1.901  14.950
  308    H3*    G  29           H3*        G  29   0.015  -1.329  12.139
  309    H2*    G  29           H2*        G  29   0.366   0.802  13.077
  310   2HO*    G  29          2HO*        G  29  -1.278   1.469  14.334
  311    H1*    G  29           H1*        G  29   0.989  -0.228  15.651
  312    H8     G  29           H8         G  29   2.633  -2.008  12.774
  313    H1     G  29           H1         G  29   5.940   3.111  14.947
  314   1H2     G  29          1H2         G  29   4.786   4.152  16.301
  315   2H2     G  29          2H2         G  29   3.164   3.705  16.778
  316   1H5*    C  30          1H5*        C  30  -0.467   0.815   9.756
  317   2H5*    C  30          2H5*        C  30  -0.804   0.746  11.486
  318    H4*    C  30           H4*        C  30  -2.871   2.257  10.182
  319    H3*    C  30           H3*        C  30  -0.195   2.779   9.086
  320    H2*    C  30           H2*        C  30  -0.111   5.062   9.672
  321   2HO*    C  30          2HO*        C  30  -2.157   5.758   9.303
  322    H1*    C  30           H1*        C  30  -0.911   4.745  12.291
  323   1H4     C  30          1H4         C  30   5.436   4.108  12.572
  324   2H4     C  30          2H4         C  30   5.276   2.421  12.136
  325    H5     C  30           H5         C  30   3.228   1.403  11.548
  326    H6     C  30           H6         C  30   0.805   1.756  11.228
  327   1H5*    G  31          1H5*        G  31  -2.659   5.933   7.945
  328   2H5*    G  31          2H5*        G  31  -2.446   6.450   6.273
  329    H4*    G  31           H4*        G  31  -2.072   8.298   7.787
  330    H3*    G  31           H3*        G  31   0.347   7.309   6.286
  331    H2*    G  31           H2*        G  31   1.594   9.123   7.146
  332   2HO*    G  31          2HO*        G  31   0.303  10.868   7.211
  333    H1*    G  31           H1*        G  31   0.633   8.832   9.763
  334    H8     G  31           H8         G  31   1.219   5.484   8.223
  335    H1     G  31           H1         G  31   6.583   8.187  10.634
  336   1H2     G  31          1H2         G  31   6.200  10.152  11.131
  337   2H2     G  31          2H2         G  31   4.656  10.948  10.924
  338   1H5*    A  32          1H5*        A  32  -0.269  11.488   5.948
  339   2H5*    A  32          2H5*        A  32  -0.180  12.017   4.268
  340    H4*    A  32           H4*        A  32   1.124  13.534   5.512
  341    H3*    A  32           H3*        A  32   2.723  11.606   3.886
  342    H2*    A  32           H2*        A  32   4.767  12.489   4.680
  343   2HO*    A  32          2HO*        A  32   2.964  14.445   5.774
  344    H1*    A  32           H1*        A  32   3.973  12.519   7.366
  345    H8     A  32           H8         A  32   2.679   9.466   5.638
  346   1H6     A  32          1H6         A  32   8.130   6.761   7.022
  347   2H6     A  32          2H6         A  32   6.523   6.472   6.395
  348    H2     A  32           H2         A  32   8.436  11.084   8.002
  349   1H5*    G  33          1H5*        G  33   4.291  15.674   3.468
  350   2H5*    G  33          2H5*        G  33   4.489  16.005   1.747
  351    H4*    G  33           H4*        G  33   6.494  16.670   2.799
  352    H3*    G  33           H3*        G  33   6.719  14.132   1.234
  353    H2*    G  33           H2*        G  33   8.996  13.879   1.818
  354   2HO*    G  33          2HO*        G  33   8.525  16.571   2.249
  355    H1*    G  33           H1*        G  33   8.579  14.428   4.539
  356    H8     G  33           H8         G  33   5.839  12.340   3.047
  357    H1     G  33           H1         G  33  10.939   8.914   5.081
  358   1H2     G  33          1H2         G  33  12.476  10.196   5.576
  359   2H2     G  33          2H2         G  33  12.396  11.939   5.459
  360   1H5*    U  34          1H5*        U  34   9.973  16.809   0.215
  361   2H5*    U  34          2H5*        U  34  10.065  16.985  -1.538
  362    H4*    U  34           H4*        U  34  12.264  16.577  -0.780
  363    H3*    U  34           H3*        U  34  10.997  14.253  -2.170
  364    H2*    U  34           H2*        U  34  12.912  12.907  -1.839
  365   2HO*    U  34          2HO*        U  34  13.928  15.382  -1.836
  366    H1*    U  34           H1*        U  34  13.208  13.624   0.862
  367    H3     U  34           H3         U  34  11.966   9.213   0.744
  368    H5     U  34           H5         U  34   8.386  11.368   0.458
  369    H6     U  34           H6         U  34   9.742  13.393   0.189
  370   1H5*    C  35          1H5*        C  35  14.856  14.482  -3.884
  371   2H5*    C  35          2H5*        C  35  14.670  14.704  -5.623
  372    H4*    C  35           H4*        C  35  16.198  12.937  -5.353
  373    H3*    C  35           H3*        C  35  13.458  11.946  -6.108
  374    H2*    C  35           H2*        C  35  14.300   9.743  -6.250
  375   2HO*    C  35          2HO*        C  35  16.509   9.505  -6.562
  376    H1*    C  35           H1*        C  35  15.754   9.906  -3.857
  377   1H4     C  35          1H4         C  35  10.200   7.170  -2.259
  378   2H4     C  35          2H4         C  35   9.504   8.762  -2.054
  379    H5     C  35           H5         C  35  10.629  10.768  -2.588
  380    H6     C  35           H6         C  35  12.720  11.752  -3.460
  381   1H5*    C  36          1H5*        C  36  15.772   9.998  -9.119
  382   2H5*    C  36          2H5*        C  36  14.932  10.324 -10.634
  383    H4*    C  36           H4*        C  36  15.126   7.957 -10.359
  384    H3*    C  36           H3*        C  36  12.306   8.961  -9.912
  385    H2*    C  36           H2*        C  36  11.595   6.706  -9.961
  386   2HO*    C  36          2HO*        C  36  12.933   6.169 -11.738
  387    H1*    C  36           H1*        C  36  13.715   5.789  -8.356
  388   1H4     C  36          1H4         C  36   8.894   6.582  -4.251
  389   2H4     C  36          2H4         C  36   9.197   8.304  -4.235
  390    H5     C  36           H5         C  36  10.788   9.374  -5.613
  391    H6     C  36           H6         C  36  12.500   9.051  -7.363
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   4.538  -1.943  -1.859
    2   2H5*    G   1          2H5*        G   1   5.430  -3.062  -0.827
    3    H4*    G   1           H4*        G   1   6.585  -3.097  -2.848
    4    H3*    G   1           H3*        G   1   7.964  -1.320  -0.858
    5    H2*    G   1           H2*        G   1   9.645  -0.806  -2.407
    6   2HO*    G   1          2HO*        G   1   9.981  -2.283  -4.121
    7    H1*    G   1           H1*        G   1   7.964  -0.527  -4.623
    8    H8     G   1           H8         G   1   6.191   0.941  -1.729
    9    H1     G   1           H1         G   1  10.721   4.875  -4.154
   10   1H2     G   1          1H2         G   1  11.900   3.830  -5.484
   11   2H2     G   1          2H2         G   1  11.692   2.140  -5.884
   12   1H5*    G   2          1H5*        G   2  11.319  -3.365  -2.145
   13   2H5*    G   2          2H5*        G   2  12.175  -3.884  -0.694
   14    H4*    G   2           H4*        G   2  13.624  -2.472  -1.959
   15    H3*    G   2           H3*        G   2  12.537  -1.043   0.485
   16    H2*    G   2           H2*        G   2  14.215   0.581   0.119
   17   2HO*    G   2          2HO*        G   2  15.684  -1.253  -0.369
   18    H1*    G   2           H1*        G   2  13.836   0.620  -2.679
   19    H8     G   2           H8         G   2  10.710   0.495  -0.554
   20    H1     G   2           H1         G   2  12.797   6.470  -1.904
   21   1H2     G   2          1H2         G   2  14.635   6.364  -2.831
   22   2H2     G   2          2H2         G   2  15.486   4.877  -3.188
   23   1H5*    A   3          1H5*        A   3  16.536  -1.216   1.558
   24   2H5*    A   3          2H5*        A   3  16.672  -1.210   3.316
   25    H4*    A   3           H4*        A   3  17.515   0.853   2.238
   26    H3*    A   3           H3*        A   3  15.120   1.251   4.069
   27    H2*    A   3           H2*        A   3  15.827   3.505   4.162
   28   2HO*    A   3          2HO*        A   3  18.001   3.351   4.413
   29    H1*    A   3           H1*        A   3  16.447   3.650   1.428
   30    H8     A   3           H8         A   3  13.321   1.687   2.167
   31   1H6     A   3          1H6         A   3  10.247   7.093   1.648
   32   2H6     A   3          2H6         A   3  10.052   5.364   1.818
   33    H2     A   3           H2         A   3  14.604   7.957   1.547
   34   1H5*    C   4          1H5*        C   4  18.334   2.692   6.465
   35   2H5*    C   4          2H5*        C   4  17.941   2.540   8.177
   36    H4*    C   4           H4*        C   4  18.244   4.880   7.391
   37    H3*    C   4           H3*        C   4  15.556   4.107   8.560
   38    H2*    C   4           H2*        C   4  15.075   6.419   8.683
   39   2HO*    C   4          2HO*        C   4  16.883   7.878   8.474
   40    H1*    C   4           H1*        C   4  16.111   6.992   6.139
   41   1H4     C   4          1H4         C   4   9.832   6.243   5.220
   42   2H4     C   4          2H4         C   4  10.074   4.515   5.102
   43    H5     C   4           H5         C   4  12.145   3.447   5.489
   44    H6     C   4           H6         C   4  14.516   3.779   6.093
   45   1H5*    U   5          1H5*        U   5  17.369   6.977  10.827
   46   2H5*    U   5          2H5*        U   5  17.121   6.920  12.573
   47    H4*    U   5           H4*        U   5  16.431   9.063  11.691
   48    H3*    U   5           H3*        U   5  14.207   7.306  12.731
   49    H2*    U   5           H2*        U   5  12.713   9.118  12.472
   50   2HO*    U   5          2HO*        U   5  14.733  10.860  11.572
   51    H1*    U   5           H1*        U   5  13.686   9.838   9.936
   52    H3     U   5           H3         U   5   9.458   8.184   9.337
   53    H5     U   5           H5         U   5  11.934   4.810   9.490
   54    H6     U   5           H6         U   5  13.758   6.302  10.170
   55   1H5*    C   6          1H5*        C   6  14.125  10.884  14.704
   56   2H5*    C   6          2H5*        C   6  14.131  10.766  16.464
   57    H4*    C   6           H4*        C   6  12.393  12.243  15.985
   58    H3*    C   6           H3*        C   6  11.322   9.487  16.537
   59    H2*    C   6           H2*        C   6   9.110  10.295  16.320
   60   2HO*    C   6          2HO*        C   6   9.024  12.290  17.173
   61    H1*    C   6           H1*        C   6   9.636  11.765  13.993
   62   1H4     C   6          1H4         C   6   7.343   6.207  11.849
   63   2H4     C   6          2H4         C   6   8.921   5.483  12.062
   64    H5     C   6           H5         C   6  10.757   6.594  13.047
   65    H6     C   6           H6         C   6  11.538   8.697  14.080
   66   1H5*    G   7          1H5*        G   7   9.391  12.481  18.788
   67   2H5*    G   7          2H5*        G   7   9.429  12.141  20.518
   68    H4*    G   7           H4*        G   7   7.244  12.813  20.162
   69    H3*    G   7           H3*        G   7   7.442   9.836  20.253
   70    H2*    G   7           H2*        G   7   5.148   9.566  19.755
   71   2HO*    G   7          2HO*        G   7   4.785  12.380  19.660
   72    H1*    G   7           H1*        G   7   5.172  11.457  17.665
   73    H8     G   7           H8         G   7   8.228   9.291  17.658
   74    H1     G   7           H1         G   7   3.155   6.650  14.630
   75   1H2     G   7          1H2         G   7   1.470   7.784  14.991
   76   2H2     G   7          2H2         G   7   1.437   9.234  15.969
   77   1H5*    G   8          1H5*        G   8   3.107  10.269  21.480
   78   2H5*    G   8          2H5*        G   8   3.536  10.206  23.189
   79    H4*    G   8           H4*        G   8   1.677   8.713  22.653
   80    H3*    G   8           H3*        G   8   4.230   7.556  23.703
   81    H2*    G   8           H2*        G   8   3.349   5.364  23.624
   82   2HO*    G   8          2HO*        G   8   1.285   6.097  24.383
   83    H1*    G   8           H1*        G   8   2.286   5.639  21.048
   84    H8     G   8           H8         G   8   5.585   7.372  21.269
   85    H1     G   8           H1         G   8   6.081   1.001  20.244
   86   1H2     G   8          1H2         G   8   4.234   0.118  20.489
   87   2H2     G   8          2H2         G   8   2.769   0.975  20.911
   88   1H5*    C   9          1H5*        C   9   1.350   5.797  25.602
   89   2H5*    C   9          2H5*        C   9   1.607   5.247  27.258
   90    H4*    C   9           H4*        C   9   1.368   3.404  25.631
   91    H3*    C   9           H3*        C   9   4.115   3.541  26.931
   92    H2*    C   9           H2*        C   9   4.234   1.248  26.372
   93   2HO*    C   9          2HO*        C   9   1.732   1.464  26.997
   94    H1*    C   9           H1*        C   9   3.068   1.558  23.850
   95   1H4     C   9          1H4         C   9   9.372   1.801  22.808
   96   2H4     C   9          2H4         C   9   9.333   3.521  23.129
   97    H5     C   9           H5         C   9   7.416   4.677  23.882
   98    H6     C   9           H6         C   9   5.040   4.464  24.520
   99   1H5*    U  10          1H5*        U  10   1.964   0.327  28.303
  100   2H5*    U  10          2H5*        U  10   1.975   0.156  30.058
  101    H4*    U  10           H4*        U  10   2.410  -1.989  29.252
  102    H3*    U  10           H3*        U  10   4.877  -0.620  30.231
  103    H2*    U  10           H2*        U  10   6.249  -2.441  29.608
  104   2HO*    U  10          2HO*        U  10   4.022  -3.897  28.643
  105    H1*    U  10           H1*        U  10   5.088  -2.731  27.069
  106    H3     U  10           H3         U  10   9.358  -1.183  26.455
  107    H5     U  10           H5         U  10   7.054   2.231  27.217
  108    H6     U  10           H6         U  10   5.203   0.731  27.794
  109   1H5*    U  11          1H5*        U  11   5.092  -4.476  31.903
  110   2H5*    U  11          2H5*        U  11   5.245  -4.364  33.655
  111    H4*    U  11           H4*        U  11   6.972  -5.791  32.938
  112    H3*    U  11           H3*        U  11   7.944  -3.048  33.662
  113    H2*    U  11           H2*        U  11  10.177  -3.664  33.187
  114   2HO*    U  11          2HO*        U  11  10.458  -5.724  33.816
  115    H1*    U  11           H1*        U  11   9.543  -4.926  30.761
  116    H3     U  11           H3         U  11  11.740  -1.251  29.316
  117    H5     U  11           H5         U  11   8.080   0.265  30.671
  118    H6     U  11           H6         U  11   7.572  -1.984  31.509
  119   1H5*    G  12          1H5*        G  12  10.267  -6.037  35.432
  120   2H5*    G  12          2H5*        G  12  10.676  -5.753  37.124
  121    H4*    G  12           H4*        G  12  12.670  -6.254  35.861
  122    H3*    G  12           H3*        G  12  12.435  -3.444  36.912
  123    H2*    G  12           H2*        G  12  14.533  -2.909  36.041
  124   2HO*    G  12          2HO*        G  12  15.000  -5.660  35.451
  125    H1*    G  12           H1*        G  12  14.327  -4.354  33.661
  126    H8     G  12           H8         G  12  11.089  -2.698  34.605
  127    H1     G  12           H1         G  12  15.135   1.123  31.301
  128   1H2     G  12          1H2         G  12  16.968   0.196  31.126
  129   2H2     G  12          2H2         G  12  17.353  -1.381  31.778
  130   1H5*    C  13          1H5*        C  13  15.961  -4.685  38.265
  131   2H5*    C  13          2H5*        C  13  16.293  -4.406  39.974
  132    H4*    C  13           H4*        C  13  18.011  -3.273  38.928
  133    H3*    C  13           H3*        C  13  15.808  -1.310  39.533
  134    H2*    C  13           H2*        C  13  17.147   0.438  38.702
  135   2HO*    C  13          2HO*        C  13  19.468  -0.341  38.194
  136    H1*    C  13           H1*        C  13  18.057  -0.938  36.455
  137   1H4     C  13          1H4         C  13  12.954   2.093  34.157
  138   2H4     C  13          2H4         C  13  11.894   1.077  35.109
  139    H5     C  13           H5         C  13  12.658  -0.555  36.636
  140    H6     C  13           H6         C  13  14.646  -1.625  37.635
  141   1H5*    U  14          1H5*        U  14  19.189   0.113  41.203
  142   2H5*    U  14          2H5*        U  14  19.078   0.954  42.749
  143    H4*    U  14           H4*        U  14  19.947   2.448  41.077
  144    H3*    U  14           H3*        U  14  17.181   3.076  42.083
  145    H2*    U  14           H2*        U  14  17.156   5.055  40.792
  146   2HO*    U  14          2HO*        U  14  19.918   4.334  40.428
  147    H1*    U  14           H1*        U  14  18.165   3.838  38.482
  148    H3     U  14           H3         U  14  13.888   4.544  37.237
  149    H5     U  14           H5         U  14  13.571   1.506  40.101
  150    H6     U  14           H6         U  14  15.970   1.786  40.520
  151   1H5*    G  15          1H5*        G  15  19.750   6.761  43.031
  152   2H5*    G  15          2H5*        G  15  19.307   7.085  44.707
  153    H4*    G  15           H4*        G  15  19.148   9.127  43.496
  154    H3*    G  15           H3*        G  15  16.544   7.927  44.343
  155    H2*    G  15           H2*        G  15  15.305   9.616  43.288
  156   2HO*    G  15          2HO*        G  15  17.829  10.800  43.610
  157    H1*    G  15           H1*        G  15  16.881   9.704  40.959
  158    H8     G  15           H8         G  15  16.291   6.199  42.151
  159    H1     G  15           H1         G  15  11.525   8.540  38.451
  160   1H2     G  15          1H2         G  15  11.821  10.557  38.141
  161   2H2     G  15          2H2         G  15  13.160  11.477  38.788
  162   1H5*    G  16          1H5*        G  16  16.794  11.675  46.239
  163   2H5*    G  16          2H5*        G  16  15.875  11.926  47.723
  164    H4*    G  16           H4*        G  16  14.940  13.067  45.719
  165    H3*    G  16           H3*        G  16  13.254  11.076  47.235
  166    H2*    G  16           H2*        G  16  11.411  11.654  45.895
  167   2HO*    G  16          2HO*        G  16  13.168  13.848  45.385
  168    H1*    G  16           H1*        G  16  12.801  11.735  43.483
  169    H8     G  16           H8         G  16  14.122   8.978  45.638
  170    H1     G  16           H1         G  16   8.822   7.350  42.298
  171   1H2     G  16          1H2         G  16   8.011   9.035  41.428
  172   2H2     G  16          2H2         G  16   8.670  10.649  41.582
  173   1H5*    A  17          1H5*        A  17  10.831  11.243  50.171
  174   2H5*    A  17          2H5*        A  17  10.368  10.460  48.659
  175    H4*    A  17           H4*        A  17   8.476  11.138  50.168
  176    H3*    A  17           H3*        A  17   8.538  12.234  47.338
  177    H2*    A  17           H2*        A  17   6.264  12.791  47.665
  178   2HO*    A  17          2HO*        A  17   5.932  11.771  50.184
  179    H1*    A  17           H1*        A  17   6.637  13.797  50.244
  180    H8     A  17           H8         A  17   9.619  15.065  48.702
  181   1H6     A  17          1H6         A  17   6.207  19.337  45.691
  182   2H6     A  17          2H6         A  17   7.837  18.878  46.131
  183    H2     A  17           H2         A  17   3.448  16.282  47.363
  184   1H5*    G  18          1H5*        G  18   4.647  12.212  46.839
  185   2H5*    G  18          2H5*        G  18   4.415  11.154  45.447
  186    H4*    G  18           H4*        G  18   4.197  13.743  45.199
  187    H3*    G  18           H3*        G  18   5.009  11.703  43.318
  188    H2*    G  18           H2*        G  18   6.991  12.810  42.805
  189   2HO*    G  18          2HO*        G  18   5.877  14.773  41.409
  190    H1*    G  18           H1*        G  18   6.285  15.588  43.297
  191    H8     G  18           H8         G  18   7.840  12.473  44.845
  192    H1     G  18           H1         G  18  10.925  18.012  46.149
  193   1H2     G  18          1H2         G  18   9.836  19.598  45.407
  194   2H2     G  18          2H2         G  18   8.314  19.449  44.557
  195   1H5*    A  19          1H5*        A  19   2.122  14.005  38.837
  196   2H5*    A  19          2H5*        A  19   2.991  12.477  38.965
  197    H4*    A  19           H4*        A  19   3.763  14.731  37.538
  198    H3*    A  19           H3*        A  19   5.180  12.192  38.317
  199    H2*    A  19           H2*        A  19   7.177  13.015  37.360
  200   2HO*    A  19          2HO*        A  19   6.440  13.983  35.522
  201    H1*    A  19           H1*        A  19   6.884  15.586  38.487
  202    H8     A  19           H8         A  19   6.846  11.927  39.592
  203   1H6     A  19          1H6         A  19  11.183  13.631  43.743
  204   2H6     A  19          2H6         A  19  10.300  12.268  43.095
  205    H2     A  19           H2         A  19   9.798  17.272  41.606
  206   1H5*    C  20          1H5*        C  20   5.075   9.663  33.558
  207   2H5*    C  20          2H5*        C  20   5.452   9.408  35.261
  208    H4*    C  20           H4*        C  20   5.919  12.013  33.795
  209    H3*    C  20           H3*        C  20   7.596   9.589  33.872
  210    H2*    C  20           H2*        C  20   9.538  10.674  34.653
  211   2HO*    C  20          2HO*        C  20   8.494  13.221  34.841
  212    H1*    C  20           H1*        C  20   8.328  12.052  36.708
  213   1H4     C  20          1H4         C  20  10.075   6.285  38.983
  214   2H4     C  20          2H4         C  20   8.371   5.887  39.003
  215    H5     C  20           H5         C  20   6.688   7.259  38.074
  216    H6     C  20           H6         C  20   6.221   9.374  36.887
  217   1H5*    G  21          1H5*        G  21   9.806  12.646  32.272
  218   2H5*    G  21          2H5*        G  21  10.171  12.393  30.566
  219    H4*    G  21           H4*        G  21  12.160  13.192  31.493
  220    H3*    G  21           H3*        G  21  12.194  10.270  30.960
  221    H2*    G  21           H2*        G  21  14.293   9.950  31.996
  222   2HO*    G  21          2HO*        G  21  14.407  12.751  32.537
  223    H1*    G  21           H1*        G  21  13.633  11.470  34.271
  224    H8     G  21           H8         G  21  10.742   9.362  33.217
  225    H1     G  21           H1         G  21  15.091   6.167  36.790
  226   1H2     G  21          1H2         G  21  16.786   7.320  37.005
  227   2H2     G  21          2H2         G  21  16.999   8.915  36.320
  228   1H5*    G  22          1H5*        G  22  15.957  11.406  30.243
  229   2H5*    G  22          2H5*        G  22  16.390  11.221  28.544
  230    H4*    G  22           H4*        G  22  18.160  10.243  29.694
  231    H3*    G  22           H3*        G  22  16.257   8.144  28.699
  232    H2*    G  22           H2*        G  22  17.635   6.440  29.572
  233   2HO*    G  22          2HO*        G  22  19.484   7.802  28.816
  234    H1*    G  22           H1*        G  22  18.074   7.737  32.026
  235    H8     G  22           H8         G  22  14.527   8.192  31.013
  236    H1     G  22           H1         G  22  15.670   2.447  33.763
  237   1H2     G  22          1H2         G  22  17.705   2.162  33.940
  238   2H2     G  22          2H2         G  22  18.920   3.308  33.421
  239   1H5*    C  23          1H5*        C  23  20.083   7.143  27.607
  240   2H5*    C  23          2H5*        C  23  20.297   6.601  25.943
  241    H4*    C  23           H4*        C  23  21.217   4.898  27.247
  242    H3*    C  23           H3*        C  23  18.483   4.187  26.253
  243    H2*    C  23           H2*        C  23  18.568   2.089  27.340
  244   2HO*    C  23          2HO*        C  23  21.033   2.278  28.496
  245    H1*    C  23           H1*        C  23  19.550   3.139  29.753
  246   1H4     C  23          1H4         C  23  13.265   2.802  30.756
  247   2H4     C  23          2H4         C  23  13.019   4.196  29.728
  248    H5     C  23           H5         C  23  14.745   5.262  28.520
  249    H6     C  23           H6         C  23  17.158   5.252  27.996
  250   1H5*    A  24          1H5*        A  24  21.222   0.944  25.652
  251   2H5*    A  24          2H5*        A  24  21.139   0.380  23.983
  252    H4*    A  24           H4*        A  24  21.032  -1.554  25.305
  253    H3*    A  24           H3*        A  24  18.414  -0.763  24.125
  254    H2*    A  24           H2*        A  24  17.243  -2.478  25.254
  255   2HO*    A  24          2HO*        A  24  19.288  -3.779  24.866
  256    H1*    A  24           H1*        A  24  18.446  -1.964  27.737
  257    H8     A  24           H8         A  24  17.678   1.210  25.908
  258   1H6     A  24          1H6         A  24  12.007   0.948  28.502
  259   2H6     A  24          2H6         A  24  13.093   1.952  27.567
  260    H2     A  24           H2         A  24  14.101  -2.878  29.349
  261   1H5*    A  25          1H5*        A  25  18.894  -4.853  23.526
  262   2H5*    A  25          2H5*        A  25  18.469  -5.445  21.921
  263    H4*    A  25           H4*        A  25  17.207  -6.656  23.555
  264    H3*    A  25           H3*        A  25  15.602  -4.736  21.883
  265    H2*    A  25           H2*        A  25  13.617  -5.516  22.899
  266   2HO*    A  25          2HO*        A  25  13.762  -7.645  23.285
  267    H1*    A  25           H1*        A  25  14.642  -5.457  25.499
  268    H8     A  25           H8         A  25  15.811  -2.589  23.352
  269   1H6     A  25          1H6         A  25  10.796   0.503  25.411
  270   2H6     A  25          2H6         A  25  12.277   0.655  24.492
  271    H2     A  25           H2         A  25  10.506  -3.705  26.808
  272   1H5*    G  26          1H5*        G  26  13.678  -8.088  21.533
  273   2H5*    G  26          2H5*        G  26  13.105  -8.562  19.934
  274    H4*    G  26           H4*        G  26  11.233  -8.307  21.423
  275    H3*    G  26           H3*        G  26  11.388  -6.065  19.382
  276    H2*    G  26           H2*        G  26   9.175  -5.555  19.980
  277   2HO*    G  26          2HO*        G  26   8.463  -7.521  21.617
  278    H1*    G  26           H1*        G  26   9.509  -5.998  22.723
  279    H8     G  26           H8         G  26  12.437  -4.320  21.025
  280    H1     G  26           H1         G  26   7.912  -0.237  23.199
  281   1H2     G  26          1H2         G  26   6.271  -1.307  23.843
  282   2H2     G  26          2H2         G  26   6.141  -3.050  23.801
  283   1H5*    A  27          1H5*        A  27   9.140  -9.260  16.921
  284   2H5*    A  27          2H5*        A  27   8.823  -8.489  15.367
  285    H4*    A  27           H4*        A  27   7.155  -8.241  17.377
  286    H3*    A  27           H3*        A  27   7.922  -5.857  15.648
  287    H2*    A  27           H2*        A  27   5.880  -4.951  16.421
  288   2HO*    A  27          2HO*        A  27   4.425  -6.550  17.508
  289    H1*    A  27           H1*        A  27   6.200  -5.876  19.046
  290    H8     A  27           H8         A  27   9.423  -4.690  17.515
  291   1H6     A  27          1H6         A  27   7.965   0.968  19.709
  292   2H6     A  27          2H6         A  27   9.226   0.025  18.945
  293    H2     A  27           H2         A  27   4.464  -1.702  20.311
  294   1H5*    G  28          1H5*        G  28   4.399  -7.417  12.990
  295   2H5*    G  28          2H5*        G  28   4.164  -6.107  11.835
  296    H4*    G  28           H4*        G  28   2.564  -6.404  13.888
  297    H3*    G  28           H3*        G  28   3.621  -3.762  12.855
  298    H2*    G  28           H2*        G  28   2.105  -2.686  14.315
  299   2HO*    G  28          2HO*        G  28   0.245  -3.778  14.602
  300    H1*    G  28           H1*        G  28   2.651  -4.371  16.487
  301    H8     G  28           H8         G  28   5.785  -3.614  14.603
  302    H1     G  28           H1         G  28   4.128   1.005  18.823
  303   1H2     G  28          1H2         G  28   2.228   0.638  19.533
  304   2H2     G  28          2H2         G  28   1.230  -0.717  19.056
  305   1H5*    G  29          1H5*        G  29  -0.791  -2.981   9.355
  306   2H5*    G  29          2H5*        G  29   0.803  -2.249   9.178
  307    H4*    G  29           H4*        G  29  -0.853  -2.583  11.668
  308    H3*    G  29           H3*        G  29   0.672  -0.107  10.858
  309    H2*    G  29           H2*        G  29  -0.827   0.811  12.437
  310   2HO*    G  29          2HO*        G  29  -2.845   0.120  12.051
  311    H1*    G  29           H1*        G  29  -0.874  -1.448  14.074
  312    H8     G  29           H8         G  29   2.540  -0.875  12.628
  313    H1     G  29           H1         G  29   1.367   2.541  17.997
  314   1H2     G  29          1H2         G  29  -0.628   2.380  18.494
  315   2H2     G  29          2H2         G  29  -1.807   1.456  17.590
  316   1H5*    C  30          1H5*        C  30  -2.385   1.592  12.414
  317   2H5*    C  30          2H5*        C  30  -3.331   1.607  10.927
  318    H4*    C  30           H4*        C  30  -3.882   3.688  11.498
  319    H3*    C  30           H3*        C  30  -1.181   4.020  10.317
  320    H2*    C  30           H2*        C  30  -0.896   6.209  11.143
  321   2HO*    C  30          2HO*        C  30  -3.453   6.199  12.352
  322    H1*    C  30           H1*        C  30  -1.701   5.668  13.732
  323   1H4     C  30          1H4         C  30   4.598   4.603  13.812
  324   2H4     C  30          2H4         C  30   4.313   2.972  13.249
  325    H5     C  30           H5         C  30   2.190   2.146  12.623
  326    H6     C  30           H6         C  30  -0.207   2.690  12.383
  327   1H5*    G  31          1H5*        G  31  -3.210   7.391   9.071
  328   2H5*    G  31          2H5*        G  31  -2.883   7.863   7.403
  329    H4*    G  31           H4*        G  31  -2.188   9.595   8.962
  330    H3*    G  31           H3*        G  31   0.050   8.212   7.469
  331    H2*    G  31           H2*        G  31   1.509   9.889   8.269
  332   2HO*    G  31          2HO*        G  31  -0.257  11.449   7.843
  333    H1*    G  31           H1*        G  31   0.488   9.844  10.881
  334    H8     G  31           H8         G  31   0.699   6.396   9.441
  335    H1     G  31           H1         G  31   6.265   8.493  11.992
  336   1H2     G  31          1H2         G  31   6.105  10.500  12.437
  337   2H2     G  31          2H2         G  31   4.677  11.471  12.161
  338   1H5*    A  32          1H5*        A  32  -0.137  12.239   6.664
  339   2H5*    A  32          2H5*        A  32   0.353  12.810   5.070
  340    H4*    A  32           H4*        A  32   1.659  13.891   6.793
  341    H3*    A  32           H3*        A  32   3.160  11.983   5.005
  342    H2*    A  32           H2*        A  32   5.183  12.672   6.014
  343   2HO*    A  32          2HO*        A  32   4.388  14.518   7.772
  344    H1*    A  32           H1*        A  32   4.180  12.564   8.628
  345    H8     A  32           H8         A  32   2.853   9.722   6.598
  346   1H6     A  32          1H6         A  32   8.027   6.602   8.161
  347   2H6     A  32          2H6         A  32   6.456   6.454   7.404
  348    H2     A  32           H2         A  32   8.502  10.823   9.466
  349   1H5*    G  33          1H5*        G  33   5.005  15.641   4.951
  350   2H5*    G  33          2H5*        G  33   5.202  16.327   3.339
  351    H4*    G  33           H4*        G  33   7.292  16.594   4.315
  352    H3*    G  33           H3*        G  33   7.251  14.194   2.519
  353    H2*    G  33           H2*        G  33   9.516  13.725   3.007
  354   2HO*    G  33          2HO*        G  33  10.318  15.588   4.649
  355    H1*    G  33           H1*        G  33   9.204  14.104   5.780
  356    H8     G  33           H8         G  33   6.340  12.274   4.170
  357    H1     G  33           H1         G  33  11.249   8.449   5.944
  358   1H2     G  33          1H2         G  33  12.853   9.610   6.521
  359   2H2     G  33          2H2         G  33  12.866  11.359   6.523
  360   1H5*    U  34          1H5*        U  34  10.548  16.489   1.895
  361   2H5*    U  34          2H5*        U  34  10.844  17.025   0.241
  362    H4*    U  34           H4*        U  34  12.905  16.218   0.960
  363    H3*    U  34           H3*        U  34  11.489  14.199  -0.748
  364    H2*    U  34           H2*        U  34  13.300  12.694  -0.544
  365   2HO*    U  34          2HO*        U  34  15.082  13.926   0.936
  366    H1*    U  34           H1*        U  34  13.573  13.040   2.222
  367    H3     U  34           H3         U  34  11.920   8.828   1.780
  368    H5     U  34           H5         U  34   8.590  11.305   1.222
  369    H6     U  34           H6         U  34  10.132  13.213   1.233
  370   1H5*    C  35          1H5*        C  35  15.377  14.647  -2.358
  371   2H5*    C  35          2H5*        C  35  15.308  15.033  -4.077
  372    H4*    C  35           H4*        C  35  16.806  13.264  -3.965
  373    H3*    C  35           H3*        C  35  14.085  12.289  -4.775
  374    H2*    C  35           H2*        C  35  14.885  10.075  -4.944
  375   2HO*    C  35          2HO*        C  35  16.909  10.099  -5.726
  376    H1*    C  35           H1*        C  35  16.304  10.149  -2.529
  377   1H4     C  35          1H4         C  35  10.718   7.569  -0.862
  378   2H4     C  35          2H4         C  35   9.956   9.141  -0.956
  379    H5     C  35           H5         C  35  11.060  11.097  -1.689
  380    H6     C  35           H6         C  35  13.189  12.034  -2.520
  381   1H5*    C  36          1H5*        C  36  16.496  10.492  -7.797
  382   2H5*    C  36          2H5*        C  36  15.816  11.007  -9.340
  383    H4*    C  36           H4*        C  36  15.876   8.681  -9.476
  384    H3*    C  36           H3*        C  36  13.096   9.584  -8.725
  385    H2*    C  36           H2*        C  36  12.357   7.350  -8.948
  386   2HO*    C  36          2HO*        C  36  14.473   7.454 -10.615
  387    H1*    C  36           H1*        C  36  14.558   6.265  -7.574
  388   1H4     C  36          1H4         C  36  10.032   6.686  -3.099
  389   2H4     C  36          2H4         C  36  10.325   8.406  -2.965
  390    H5     C  36           H5         C  36  11.816   9.599  -4.353
  391    H6     C  36           H6         C  36  13.410   9.435  -6.232
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   4.903  -3.020  -1.182
    2   2H5*    G   1          2H5*        G   1   5.993  -3.496   0.120
    3    H4*    G   1           H4*        G   1   7.170  -3.679  -1.944
    4    H3*    G   1           H3*        G   1   8.043  -1.346  -0.247
    5    H2*    G   1           H2*        G   1   9.679  -0.805  -1.810
    6   2HO*    G   1          2HO*        G   1   9.405  -3.551  -2.080
    7    H1*    G   1           H1*        G   1   8.238  -1.489  -4.118
    8    H8     G   1           H8         G   1   5.860   0.233  -1.897
    9    H1     G   1           H1         G   1   9.875   4.338  -4.882
   10   1H2     G   1          1H2         G   1  11.412   3.280  -5.764
   11   2H2     G   1          2H2         G   1  11.585   1.541  -5.703
   12   1H5*    G   2          1H5*        G   2  11.573  -3.326  -0.817
   13   2H5*    G   2          2H5*        G   2  12.419  -3.613   0.703
   14    H4*    G   2           H4*        G   2  13.975  -2.437  -0.527
   15    H3*    G   2           H3*        G   2  12.479  -0.498   1.226
   16    H2*    G   2           H2*        G   2  13.873   1.252   0.466
   17   2HO*    G   2          2HO*        G   2  15.402  -0.457  -1.166
   18    H1*    G   2           H1*        G   2  13.731   0.501  -2.232
   19    H8     G   2           H8         G   2  10.443   0.091  -0.473
   20    H1     G   2           H1         G   2  11.501   6.080  -2.684
   21   1H2     G   2          1H2         G   2  13.452   6.241  -3.332
   22   2H2     G   2          2H2         G   2  14.626   4.946  -3.283
   23   1H5*    A   3          1H5*        A   3  16.506   0.069   1.642
   24   2H5*    A   3          2H5*        A   3  17.084   0.030   3.308
   25    H4*    A   3           H4*        A   3  18.035   1.959   2.416
   26    H3*    A   3           H3*        A   3  15.603   2.624   4.046
   27    H2*    A   3           H2*        A   3  15.920   4.928   3.639
   28   2HO*    A   3          2HO*        A   3  17.990   5.567   3.241
   29    H1*    A   3           H1*        A   3  16.491   4.536   0.887
   30    H8     A   3           H8         A   3  13.570   2.496   1.982
   31   1H6     A   3          1H6         A   3  10.021   7.497   0.819
   32   2H6     A   3          2H6         A   3   9.984   5.792   1.208
   33    H2     A   3           H2         A   3  14.284   8.728   0.566
   34   1H5*    C   4          1H5*        C   4  18.604   5.078   5.082
   35   2H5*    C   4          2H5*        C   4  19.079   5.051   6.780
   36    H4*    C   4           H4*        C   4  18.903   7.321   6.185
   37    H3*    C   4           H3*        C   4  16.556   6.376   7.810
   38    H2*    C   4           H2*        C   4  15.665   8.564   7.821
   39   2HO*    C   4          2HO*        C   4  18.182   9.092   7.828
   40    H1*    C   4           H1*        C   4  16.126   9.009   5.089
   41   1H4     C   4          1H4         C   4  10.044   7.065   5.512
   42   2H4     C   4          2H4         C   4  10.597   5.411   5.366
   43    H5     C   4           H5         C   4  12.872   4.781   5.345
   44    H6     C   4           H6         C   4  15.203   5.592   5.459
   45   1H5*    U   5          1H5*        U   5  17.838   9.860   9.345
   46   2H5*    U   5          2H5*        U   5  18.199   9.823  11.071
   47    H4*    U   5           H4*        U   5  16.800  11.662  10.833
   48    H3*    U   5           H3*        U   5  15.171   9.291  11.742
   49    H2*    U   5           H2*        U   5  13.292  10.694  11.943
   50   2HO*    U   5          2HO*        U   5  13.670  12.910  12.201
   51    H1*    U   5           H1*        U   5  13.741  12.079   9.549
   52    H3     U   5           H3         U   5  10.067   9.621   8.572
   53    H5     U   5           H5         U   5  13.177   6.816   8.550
   54    H6     U   5           H6         U   5  14.650   8.590   9.387
   55   1H5*    C   6          1H5*        C   6  14.495  12.213  14.257
   56   2H5*    C   6          2H5*        C   6  14.242  11.869  15.968
   57    H4*    C   6           H4*        C   6  12.254  12.846  15.008
   58    H3*    C   6           H3*        C   6  11.860   9.891  15.610
   59    H2*    C   6           H2*        C   6   9.554  10.392  15.550
   60   2HO*    C   6          2HO*        C   6  10.139  12.367  16.819
   61    H1*    C   6           H1*        C   6   9.710  12.076  13.333
   62   1H4     C   6          1H4         C   6   8.331   6.354  10.857
   63   2H4     C   6          2H4         C   6  10.026   5.931  10.919
   64    H5     C   6           H5         C   6  11.689   7.295  11.894
   65    H6     C   6           H6         C   6  12.138   9.424  13.061
   66   1H5*    G   7          1H5*        G   7   9.926  12.369  18.564
   67   2H5*    G   7          2H5*        G   7   9.632  11.579  20.113
   68    H4*    G   7           H4*        G   7   7.569  12.425  19.130
   69    H3*    G   7           H3*        G   7   7.834   9.439  19.432
   70    H2*    G   7           H2*        G   7   5.600   9.179  18.719
   71   2HO*    G   7          2HO*        G   7   5.617  11.669  19.787
   72    H1*    G   7           H1*        G   7   5.806  11.005  16.604
   73    H8     G   7           H8         G   7   8.942   9.001  16.884
   74    H1     G   7           H1         G   7   4.229   5.971  13.645
   75   1H2     G   7          1H2         G   7   2.464   7.015  13.860
   76   2H2     G   7          2H2         G   7   2.286   8.492  14.782
   77   1H5*    G   8          1H5*        G   8   3.268  10.071  20.343
   78   2H5*    G   8          2H5*        G   8   3.671  10.091  22.060
   79    H4*    G   8           H4*        G   8   1.782   8.605  21.532
   80    H3*    G   8           H3*        G   8   4.260   7.519  22.807
   81    H2*    G   8           H2*        G   8   3.382   5.324  22.832
   82   2HO*    G   8          2HO*        G   8   0.966   5.799  21.646
   83    H1*    G   8           H1*        G   8   2.466   5.427  20.181
   84    H8     G   8           H8         G   8   5.777   7.118  20.459
   85    H1     G   8           H1         G   8   6.211   0.679  19.966
   86   1H2     G   8          1H2         G   8   4.338  -0.156  20.177
   87   2H2     G   8          2H2         G   8   2.868   0.753  20.449
   88   1H5*    C   9          1H5*        C   9   1.296   6.025  24.700
   89   2H5*    C   9          2H5*        C   9   1.380   5.619  26.414
   90    H4*    C   9           H4*        C   9   1.291   3.627  25.000
   91    H3*    C   9           H3*        C   9   3.993   3.922  26.367
   92    H2*    C   9           H2*        C   9   4.116   1.580  26.076
   93   2HO*    C   9          2HO*        C   9   1.326   1.858  25.410
   94    H1*    C   9           H1*        C   9   3.019   1.604  23.504
   95   1H4     C   9          1H4         C   9   9.343   1.728  22.592
   96   2H4     C   9          2H4         C   9   9.310   3.471  22.744
   97    H5     C   9           H5         C   9   7.383   4.703  23.336
   98    H6     C   9           H6         C   9   4.991   4.564  23.931
   99   1H5*    U  10          1H5*        U  10   1.721   1.036  28.160
  100   2H5*    U  10          2H5*        U  10   1.810   0.906  29.916
  101    H4*    U  10           H4*        U  10   2.182  -1.260  29.041
  102    H3*    U  10           H3*        U  10   4.645   0.065  30.118
  103    H2*    U  10           H2*        U  10   5.961  -1.825  29.593
  104   2HO*    U  10          2HO*        U  10   4.588  -3.703  28.715
  105    H1*    U  10           H1*        U  10   4.905  -2.134  27.017
  106    H3     U  10           H3         U  10   9.229  -0.697  26.548
  107    H5     U  10           H5         U  10   6.982   2.785  27.151
  108    H6     U  10           H6         U  10   5.071   1.342  27.680
  109   1H5*    U  11          1H5*        U  11   4.463  -3.769  31.597
  110   2H5*    U  11          2H5*        U  11   4.458  -3.844  33.359
  111    H4*    U  11           H4*        U  11   6.038  -5.432  32.646
  112    H3*    U  11           H3*        U  11   7.273  -2.943  33.753
  113    H2*    U  11           H2*        U  11   9.456  -3.752  33.350
  114   2HO*    U  11          2HO*        U  11   9.516  -5.897  33.666
  115    H1*    U  11           H1*        U  11   8.856  -4.653  30.747
  116    H3     U  11           H3         U  11  11.736  -1.184  30.128
  117    H5     U  11           H5         U  11   8.063   0.650  30.953
  118    H6     U  11           H6         U  11   7.183  -1.576  31.486
  119   1H5*    G  12          1H5*        G  12   9.236  -6.354  35.516
  120   2H5*    G  12          2H5*        G  12   9.229  -6.175  37.270
  121    H4*    G  12           H4*        G  12  11.439  -6.718  36.693
  122    H3*    G  12           H3*        G  12  11.051  -3.854  37.418
  123    H2*    G  12           H2*        G  12  13.251  -3.268  36.864
  124   2HO*    G  12          2HO*        G  12  14.368  -5.609  36.205
  125    H1*    G  12           H1*        G  12  13.364  -4.808  34.508
  126    H8     G  12           H8         G  12  10.209  -2.825  35.273
  127    H1     G  12           H1         G  12  14.520   0.242  31.546
  128   1H2     G  12          1H2         G  12  16.243  -0.885  31.417
  129   2H2     G  12          2H2         G  12  16.484  -2.430  32.202
  130   1H5*    C  13          1H5*        C  13  14.538  -5.342  39.385
  131   2H5*    C  13          2H5*        C  13  14.649  -4.813  41.063
  132    H4*    C  13           H4*        C  13  16.681  -4.217  40.004
  133    H3*    C  13           H3*        C  13  14.863  -1.894  40.550
  134    H2*    C  13           H2*        C  13  16.457  -0.387  39.669
  135   2HO*    C  13          2HO*        C  13  17.983  -2.374  40.552
  136    H1*    C  13           H1*        C  13  16.998  -1.948  37.399
  137   1H4     C  13          1H4         C  13  12.642   2.199  35.294
  138   2H4     C  13          2H4         C  13  11.392   1.343  36.166
  139    H5     C  13           H5         C  13  11.803  -0.493  37.594
  140    H6     C  13           H6         C  13  13.535  -1.973  38.545
  141   1H5*    U  14          1H5*        U  14  18.499  -0.945  41.909
  142   2H5*    U  14          2H5*        U  14  18.630  -0.165  43.484
  143    H4*    U  14           H4*        U  14  19.654   1.231  41.824
  144    H3*    U  14           H3*        U  14  17.089   2.275  42.995
  145    H2*    U  14           H2*        U  14  17.317   4.273  41.752
  146   2HO*    U  14          2HO*        U  14  19.913   3.189  41.670
  147    H1*    U  14           H1*        U  14  17.990   2.971  39.361
  148    H3     U  14           H3         U  14  13.843   4.504  38.424
  149    H5     U  14           H5         U  14  13.148   1.366  41.111
  150    H6     U  14           H6         U  14  15.578   1.214  41.407
  151   1H5*    G  15          1H5*        G  15  20.384   5.341  43.658
  152   2H5*    G  15          2H5*        G  15  20.168   5.850  45.332
  153    H4*    G  15           H4*        G  15  20.361   7.825  44.070
  154    H3*    G  15           H3*        G  15  17.570   7.237  44.960
  155    H2*    G  15           H2*        G  15  16.723   9.152  43.862
  156   2HO*    G  15          2HO*        G  15  18.231  10.750  43.224
  157    H1*    G  15           H1*        G  15  18.115   8.674  41.477
  158    H8     G  15           H8         G  15  16.826   5.500  42.997
  159    H1     G  15           H1         G  15  12.473   8.605  39.352
  160   1H2     G  15          1H2         G  15  13.196  10.471  38.855
  161   2H2     G  15          2H2         G  15  14.751  11.100  39.351
  162   1H5*    G  16          1H5*        G  16  17.334  11.403  45.605
  163   2H5*    G  16          2H5*        G  16  16.619  11.500  47.214
  164    H4*    G  16           H4*        G  16  15.193  12.535  45.528
  165    H3*    G  16           H3*        G  16  14.122  10.076  46.908
  166    H2*    G  16           H2*        G  16  12.034  10.441  45.856
  167   2HO*    G  16          2HO*        G  16  11.645  12.519  44.991
  168    H1*    G  16           H1*        G  16  13.191  11.000  43.344
  169    H8     G  16           H8         G  16  14.766   8.130  45.213
  170    H1     G  16           H1         G  16   9.712   6.450  41.535
  171   1H2     G  16          1H2         G  16   8.788   8.148  40.817
  172   2H2     G  16          2H2         G  16   9.305   9.783  41.160
  173   1H5*    A  17          1H5*        A  17  12.058   9.145  48.260
  174   2H5*    A  17          2H5*        A  17  11.053   9.414  46.837
  175    H4*    A  17           H4*        A  17  10.118   8.390  49.122
  176    H3*    A  17           H3*        A  17   8.701  10.095  47.080
  177    H2*    A  17           H2*        A  17   6.710   9.913  48.340
  178   2HO*    A  17          2HO*        A  17   6.509   8.063  49.486
  179    H1*    A  17           H1*        A  17   7.957  10.407  50.801
  180    H8     A  17           H8         A  17   9.672  12.783  48.706
  181   1H6     A  17          1H6         A  17   4.598  16.416  48.774
  182   2H6     A  17          2H6         A  17   6.300  16.367  48.374
  183    H2     A  17           H2         A  17   3.464  12.417  50.343
  184   1H5*    G  18          1H5*        G  18   4.339   8.363  46.915
  185   2H5*    G  18          2H5*        G  18   4.931   7.841  45.337
  186    H4*    G  18           H4*        G  18   3.332   9.788  45.339
  187    H3*    G  18           H3*        G  18   5.962   9.779  43.935
  188    H2*    G  18           H2*        G  18   5.736  12.026  43.249
  189   2HO*    G  18          2HO*        G  18   3.553  12.993  43.747
  190    H1*    G  18           H1*        G  18   4.887  12.960  45.749
  191    H8     G  18           H8         G  18   7.649  10.353  45.197
  192    H1     G  18           H1         G  18   9.689  16.333  46.605
  193   1H2     G  18          1H2         G  18   8.064  17.593  46.768
  194   2H2     G  18          2H2         G  18   6.399  17.104  46.553
  195   1H5*    A  19          1H5*        A  19   2.820  10.871  41.465
  196   2H5*    A  19          2H5*        A  19   2.566  10.041  39.930
  197    H4*    A  19           H4*        A  19   2.480  12.214  39.243
  198    H3*    A  19           H3*        A  19   5.154  11.104  38.792
  199    H2*    A  19           H2*        A  19   6.269  13.166  38.491
  200   2HO*    A  19          2HO*        A  19   4.018  14.749  38.953
  201    H1*    A  19           H1*        A  19   5.181  14.367  40.763
  202    H8     A  19           H8         A  19   6.486  10.788  40.230
  203   1H6     A  19          1H6         A  19  11.089  12.445  44.105
  204   2H6     A  19          2H6         A  19  10.459  11.137  43.130
  205    H2     A  19           H2         A  19   8.353  15.913  43.633
  206   1H5*    C  20          1H5*        C  20   5.405  13.073  35.797
  207   2H5*    C  20          2H5*        C  20   5.970  12.311  34.311
  208    H4*    C  20           H4*        C  20   7.641  13.732  35.574
  209    H3*    C  20           H3*        C  20   8.255  10.883  34.779
  210    H2*    C  20           H2*        C  20  10.492  11.235  35.460
  211   2HO*    C  20          2HO*        C  20   9.941  13.941  36.102
  212    H1*    C  20           H1*        C  20   9.788  12.539  37.844
  213   1H4     C  20          1H4         C  20  10.688   6.497  39.668
  214   2H4     C  20          2H4         C  20   9.142   6.055  38.980
  215    H5     C  20           H5         C  20   7.769   7.541  37.762
  216    H6     C  20           H6         C  20   7.542   9.842  36.894
  217   1H5*    G  21          1H5*        G  21  10.991  13.485  33.374
  218   2H5*    G  21          2H5*        G  21  11.662  13.245  31.760
  219    H4*    G  21           H4*        G  21  13.476  13.349  33.289
  220    H3*    G  21           H3*        G  21  12.932  10.548  32.305
  221    H2*    G  21           H2*        G  21  14.904   9.829  33.389
  222   2HO*    G  21          2HO*        G  21  15.946  12.011  34.439
  223    H1*    G  21           H1*        G  21  14.381  11.326  35.732
  224    H8     G  21           H8         G  21  11.301   9.638  34.471
  225    H1     G  21           H1         G  21  15.063   5.786  38.062
  226   1H2     G  21          1H2         G  21  16.875   6.711  38.398
  227   2H2     G  21          2H2         G  21  17.311   8.295  37.796
  228   1H5*    G  22          1H5*        G  22  16.844  11.231  31.727
  229   2H5*    G  22          2H5*        G  22  17.380  10.931  30.075
  230    H4*    G  22           H4*        G  22  18.858   9.728  31.437
  231    H3*    G  22           H3*        G  22  16.790   7.922  30.202
  232    H2*    G  22           H2*        G  22  17.869   6.044  31.149
  233   2HO*    G  22          2HO*        G  22  19.949   7.071  32.434
  234    H1*    G  22           H1*        G  22  18.197   7.227  33.670
  235    H8     G  22           H8         G  22  14.875   8.129  32.219
  236    H1     G  22           H1         G  22  14.939   2.347  35.125
  237   1H2     G  22          1H2         G  22  16.883   1.821  35.570
  238   2H2     G  22          2H2         G  22  18.286   2.801  35.210
  239   1H5*    C  23          1H5*        C  23  20.543   6.303  29.442
  240   2H5*    C  23          2H5*        C  23  20.753   5.837  27.754
  241    H4*    C  23           H4*        C  23  21.339   3.976  29.128
  242    H3*    C  23           H3*        C  23  18.755   3.661  27.625
  243    H2*    C  23           H2*        C  23  18.536   1.453  28.439
  244   2HO*    C  23          2HO*        C  23  20.696   1.081  29.924
  245    H1*    C  23           H1*        C  23  19.209   2.123  31.079
  246   1H4     C  23          1H4         C  23  12.827   2.209  31.021
  247   2H4     C  23          2H4         C  23  12.861   3.808  30.314
  248    H5     C  23           H5         C  23  14.840   4.905  29.637
  249    H6     C  23           H6         C  23  17.299   4.735  29.472
  250   1H5*    A  24          1H5*        A  24  21.455   0.432  26.859
  251   2H5*    A  24          2H5*        A  24  21.481  -0.074  25.170
  252    H4*    A  24           H4*        A  24  21.138  -2.026  26.445
  253    H3*    A  24           H3*        A  24  18.713  -1.063  24.997
  254    H2*    A  24           H2*        A  24  17.361  -2.774  25.909
  255   2HO*    A  24          2HO*        A  24  19.532  -3.849  27.369
  256    H1*    A  24           H1*        A  24  18.285  -2.414  28.532
  257    H8     A  24           H8         A  24  17.761   0.723  26.467
  258   1H6     A  24          1H6         A  24  12.050   0.915  28.976
  259   2H6     A  24          2H6         A  24  13.185   1.784  27.969
  260    H2     A  24           H2         A  24  13.988  -2.886  30.218
  261   1H5*    A  25          1H5*        A  25  18.953  -5.059  24.459
  262   2H5*    A  25          2H5*        A  25  18.348  -5.725  22.942
  263    H4*    A  25           H4*        A  25  17.045  -6.460  24.889
  264    H3*    A  25           H3*        A  25  15.593  -4.762  22.845
  265    H2*    A  25           H2*        A  25  13.577  -5.359  23.922
  266   2HO*    A  25          2HO*        A  25  15.317  -7.207  25.286
  267    H1*    A  25           H1*        A  25  14.581  -5.015  26.513
  268    H8     A  25           H8         A  25  15.854  -2.412  24.121
  269   1H6     A  25          1H6         A  25  10.796   0.926  25.616
  270   2H6     A  25          2H6         A  25  12.320   0.968  24.757
  271    H2     A  25           H2         A  25  10.380  -3.113  27.420
  272   1H5*    G  26          1H5*        G  26  13.685  -8.163  22.877
  273   2H5*    G  26          2H5*        G  26  13.187  -8.887  21.348
  274    H4*    G  26           H4*        G  26  11.247  -8.500  22.703
  275    H3*    G  26           H3*        G  26  11.433  -6.545  20.391
  276    H2*    G  26           H2*        G  26   9.216  -5.957  20.861
  277   2HO*    G  26          2HO*        G  26   8.973  -8.110  22.701
  278    H1*    G  26           H1*        G  26   9.434  -6.107  23.652
  279    H8     G  26           H8         G  26  12.470  -4.581  22.055
  280    H1     G  26           H1         G  26   7.695  -0.360  23.181
  281   1H2     G  26          1H2         G  26   5.997  -1.378  23.757
  282   2H2     G  26          2H2         G  26   5.884  -3.117  23.911
  283   1H5*    A  27          1H5*        A  27   9.247 -10.136  18.778
  284   2H5*    A  27          2H5*        A  27   8.859  -9.874  17.079
  285    H4*    A  27           H4*        A  27   7.390  -8.768  18.884
  286    H3*    A  27           H3*        A  27   8.462  -6.906  16.733
  287    H2*    A  27           H2*        A  27   6.401  -5.818  17.127
  288   2HO*    A  27          2HO*        A  27   5.499  -7.972  18.735
  289    H1*    A  27           H1*        A  27   6.438  -6.329  19.900
  290    H8     A  27           H8         A  27   9.766  -5.328  18.447
  291   1H6     A  27          1H6         A  27   8.133   0.558  19.728
  292   2H6     A  27          2H6         A  27   9.446  -0.462  19.187
  293    H2     A  27           H2         A  27   4.617  -2.054  20.474
  294   1H5*    G  28          1H5*        G  28   5.170  -8.649  14.006
  295   2H5*    G  28          2H5*        G  28   5.223  -7.564  12.616
  296    H4*    G  28           H4*        G  28   3.416  -7.287  14.504
  297    H3*    G  28           H3*        G  28   4.884  -4.969  13.201
  298    H2*    G  28           H2*        G  28   3.214  -3.589  14.148
  299   2HO*    G  28          2HO*        G  28   1.661  -5.537  15.292
  300    H1*    G  28           H1*        G  28   3.210  -4.923  16.619
  301    H8     G  28           H8         G  28   6.689  -4.588  15.300
  302    H1     G  28           H1         G  28   4.575   0.697  18.377
  303   1H2     G  28          1H2         G  28   2.554   0.517  18.746
  304   2H2     G  28          2H2         G  28   1.578  -0.860  18.289
  305   1H5*    G  29          1H5*        G  29   1.316  -4.199   8.958
  306   2H5*    G  29          2H5*        G  29   2.989  -3.655   9.084
  307    H4*    G  29           H4*        G  29   0.933  -3.762  11.300
  308    H3*    G  29           H3*        G  29   2.441  -1.306  10.383
  309    H2*    G  29           H2*        G  29   0.808  -0.298  11.764
  310   2HO*    G  29          2HO*        G  29  -1.177  -1.473  12.071
  311    H1*    G  29           H1*        G  29   0.735  -2.389  13.614
  312    H8     G  29           H8         G  29   4.230  -1.852  12.400
  313    H1     G  29           H1         G  29   2.496   2.166  17.169
  314   1H2     G  29          1H2         G  29   0.469   2.000  17.506
  315   2H2     G  29          2H2         G  29  -0.603   0.931  16.627
  316   1H5*    C  30          1H5*        C  30  -0.813   0.314  11.558
  317   2H5*    C  30          2H5*        C  30  -1.652   0.196  10.010
  318    H4*    C  30           H4*        C  30  -2.346   2.272  10.429
  319    H3*    C  30           H3*        C  30   0.404   2.679   9.391
  320    H2*    C  30           H2*        C  30   0.521   4.929  10.095
  321   2HO*    C  30          2HO*        C  30  -1.492   5.910  10.801
  322    H1*    C  30           H1*        C  30  -0.404   4.484  12.664
  323   1H4     C  30          1H4         C  30   5.934   3.850  13.152
  324   2H4     C  30          2H4         C  30   5.786   2.173  12.679
  325    H5     C  30           H5         C  30   3.759   1.173  11.994
  326    H6     C  30           H6         C  30   1.351   1.542  11.588
  327   1H5*    G  31          1H5*        G  31  -2.085   5.724   8.273
  328   2H5*    G  31          2H5*        G  31  -1.973   6.381   6.640
  329    H4*    G  31           H4*        G  31  -1.676   8.153   8.229
  330    H3*    G  31           H3*        G  31   0.798   7.387   6.692
  331    H2*    G  31           H2*        G  31   1.959   9.195   7.682
  332   2HO*    G  31          2HO*        G  31   0.628  10.887   7.942
  333    H1*    G  31           H1*        G  31   1.021   8.676  10.268
  334    H8     G  31           H8         G  31   1.722   5.458   8.524
  335    H1     G  31           H1         G  31   7.010   8.226  11.030
  336   1H2     G  31          1H2         G  31   6.558  10.143  11.643
  337   2H2     G  31          2H2         G  31   4.983  10.889  11.499
  338   1H5*    A  32          1H5*        A  32  -0.013  11.453   6.591
  339   2H5*    A  32          2H5*        A  32  -0.126  12.108   4.957
  340    H4*    A  32           H4*        A  32   1.151  13.673   6.113
  341    H3*    A  32           H3*        A  32   2.850  11.881   4.429
  342    H2*    A  32           H2*        A  32   4.840  12.901   5.185
  343   2HO*    A  32          2HO*        A  32   3.325  14.719   6.766
  344    H1*    A  32           H1*        A  32   4.062  12.909   7.892
  345    H8     A  32           H8         A  32   3.088   9.703   6.256
  346   1H6     A  32          1H6         A  32   8.825   7.634   7.577
  347   2H6     A  32          2H6         A  32   7.246   7.157   6.995
  348    H2     A  32           H2         A  32   8.686  11.990   8.442
  349   1H5*    G  33          1H5*        G  33   4.191  15.845   4.094
  350   2H5*    G  33          2H5*        G  33   4.216  16.366   2.409
  351    H4*    G  33           H4*        G  33   6.285  17.031   3.231
  352    H3*    G  33           H3*        G  33   6.461  14.539   1.618
  353    H2*    G  33           H2*        G  33   8.741  14.203   2.117
  354   2HO*    G  33          2HO*        G  33   9.920  15.994   2.742
  355    H1*    G  33           H1*        G  33   8.366  14.859   4.879
  356    H8     G  33           H8         G  33   5.920  12.414   3.393
  357    H1     G  33           H1         G  33  11.277   9.675   5.773
  358   1H2     G  33          1H2         G  33  12.639  11.142   6.270
  359   2H2     G  33          2H2         G  33  12.368  12.859   6.072
  360   1H5*    U  34          1H5*        U  34   9.692  17.054  -0.079
  361   2H5*    U  34          2H5*        U  34   9.424  17.058  -1.823
  362    H4*    U  34           H4*        U  34  11.695  16.421  -1.360
  363    H3*    U  34           H3*        U  34   9.933  14.228  -2.434
  364    H2*    U  34           H2*        U  34  11.806  12.791  -2.551
  365   2HO*    U  34          2HO*        U  34  13.063  14.673  -3.309
  366    H1*    U  34           H1*        U  34  12.777  13.495  -0.012
  367    H3     U  34           H3         U  34  11.322   9.167   0.289
  368    H5     U  34           H5         U  34   7.874  11.500   0.738
  369    H6     U  34           H6         U  34   9.230  13.448   0.122
  370   1H5*    C  35          1H5*        C  35  13.237  14.667  -4.837
  371   2H5*    C  35          2H5*        C  35  12.985  14.584  -6.580
  372    H4*    C  35           H4*        C  35  14.624  12.968  -6.057
  373    H3*    C  35           H3*        C  35  11.929  11.740  -6.601
  374    H2*    C  35           H2*        C  35  12.872   9.589  -6.404
  375   2HO*    C  35          2HO*        C  35  14.838  10.853  -7.462
  376    H1*    C  35           H1*        C  35  14.456  10.330  -4.145
  377   1H4     C  35          1H4         C  35   9.600   6.925  -1.762
  378   2H4     C  35          2H4         C  35   8.600   8.359  -1.806
  379    H5     C  35           H5         C  35   9.285  10.412  -2.753
  380    H6     C  35           H6         C  35  11.116  11.604  -3.902
  381   1H5*    C  36          1H5*        C  36  15.016  10.122  -9.044
  382   2H5*    C  36          2H5*        C  36  14.549   9.944 -10.735
  383    H4*    C  36           H4*        C  36  15.494   7.887 -10.119
  384    H3*    C  36           H3*        C  36  12.504   7.796 -10.259
  385    H2*    C  36           H2*        C  36  12.480   5.516  -9.637
  386   2HO*    C  36          2HO*        C  36  14.225   4.786 -10.802
  387    H1*    C  36           H1*        C  36  14.330   5.856  -7.543
  388   1H4     C  36          1H4         C  36   8.607   6.026  -4.709
  389   2H4     C  36          2H4         C  36   8.471   7.720  -5.124
  390    H5     C  36           H5         C  36  10.034   8.877  -6.464
  391    H6     C  36           H6         C  36  12.133   8.691  -7.752
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   5.463  -2.445  -1.706
    2   2H5*    G   1          2H5*        G   1   6.545  -3.049  -0.451
    3    H4*    G   1           H4*        G   1   7.640  -3.239  -2.568
    4    H3*    G   1           H3*        G   1   8.760  -1.099  -0.768
    5    H2*    G   1           H2*        G   1  10.425  -0.631  -2.338
    6   2HO*    G   1          2HO*        G   1   9.745  -3.286  -2.907
    7    H1*    G   1           H1*        G   1   8.858  -0.879  -4.625
    8    H8     G   1           H8         G   1   6.747   0.715  -2.031
    9    H1     G   1           H1         G   1  10.834   4.860  -4.857
   10   1H2     G   1          1H2         G   1  12.206   3.814  -5.986
   11   2H2     G   1          2H2         G   1  12.242   2.071  -6.144
   12   1H5*    G   2          1H5*        G   2  12.326  -3.099  -1.735
   13   2H5*    G   2          2H5*        G   2  13.190  -3.304  -0.211
   14    H4*    G   2           H4*        G   2  14.571  -2.045  -1.693
   15    H3*    G   2           H3*        G   2  13.363  -0.325   0.487
   16    H2*    G   2           H2*        G   2  14.863   1.382  -0.165
   17   2HO*    G   2          2HO*        G   2  16.022  -0.487  -2.001
   18    H1*    G   2           H1*        G   2  14.448   1.018  -2.909
   19    H8     G   2           H8         G   2  11.330   0.628  -0.823
   20    H1     G   2           H1         G   2  12.566   6.714  -2.644
   21   1H2     G   2          1H2         G   2  14.430   6.806  -3.520
   22   2H2     G   2          2H2         G   2  15.500   5.438  -3.728
   23   1H5*    A   3          1H5*        A   3  17.237   0.336   0.669
   24   2H5*    A   3          2H5*        A   3  17.885   0.426   2.307
   25    H4*    A   3           H4*        A   3  18.293   2.489   1.097
   26    H3*    A   3           H3*        A   3  16.240   2.815   3.312
   27    H2*    A   3           H2*        A   3  16.626   5.118   3.109
   28   2HO*    A   3          2HO*        A   3  18.703   5.326   1.485
   29    H1*    A   3           H1*        A   3  16.844   5.195   0.347
   30    H8     A   3           H8         A   3  14.313   2.665   1.538
   31   1H6     A   3          1H6         A   3  10.117   7.273   1.207
   32   2H6     A   3          2H6         A   3  10.318   5.555   1.468
   33    H2     A   3           H2         A   3  14.148   9.010   0.515
   34   1H5*    C   4          1H5*        C   4  19.018   5.272   4.889
   35   2H5*    C   4          2H5*        C   4  18.951   5.119   6.644
   36    H4*    C   4           H4*        C   4  18.263   7.345   5.774
   37    H3*    C   4           H3*        C   4  16.066   5.841   7.247
   38    H2*    C   4           H2*        C   4  15.173   7.997   7.613
   39   2HO*    C   4          2HO*        C   4  17.654   9.004   6.571
   40    H1*    C   4           H1*        C   4  15.759   8.949   5.055
   41   1H4     C   4          1H4         C   4   9.756   6.806   4.631
   42   2H4     C   4          2H4         C   4  10.369   5.193   4.344
   43    H5     C   4           H5         C   4  12.657   4.617   4.451
   44    H6     C   4           H6         C   4  14.943   5.455   4.865
   45   1H5*    U   5          1H5*        U   5  17.291   8.936   9.632
   46   2H5*    U   5          2H5*        U   5  16.940   8.714  11.347
   47    H4*    U   5           H4*        U   5  15.748  10.626  10.320
   48    H3*    U   5           H3*        U   5  13.998   8.390  11.397
   49    H2*    U   5           H2*        U   5  12.235   9.952  11.321
   50   2HO*    U   5          2HO*        U   5  13.052  11.818  12.097
   51    H1*    U   5           H1*        U   5  12.929  11.040   8.857
   52    H3     U   5           H3         U   5   9.184   8.538   8.110
   53    H5     U   5           H5         U   5  12.335   5.781   8.047
   54    H6     U   5           H6         U   5  13.800   7.588   8.824
   55   1H5*    C   6          1H5*        C   6  13.596  11.650  13.840
   56   2H5*    C   6          2H5*        C   6  13.337  11.361  15.561
   57    H4*    C   6           H4*        C   6  11.508  12.645  14.710
   58    H3*    C   6           H3*        C   6  10.793   9.783  15.351
   59    H2*    C   6           H2*        C   6   8.521  10.316  14.977
   60   2HO*    C   6          2HO*        C   6   8.188  12.748  14.584
   61    H1*    C   6           H1*        C   6   9.010  11.769  12.633
   62   1H4     C   6          1H4         C   6   7.565   5.914  10.546
   63   2H4     C   6          2H4         C   6   9.196   5.392  10.901
   64    H5     C   6           H5         C   6  10.809   6.746  11.969
   65    H6     C   6           H6         C   6  11.259   8.959  12.970
   66   1H5*    G   7          1H5*        G   7   8.274  12.469  17.508
   67   2H5*    G   7          2H5*        G   7   8.445  12.140  19.233
   68    H4*    G   7           H4*        G   7   6.161  12.393  18.974
   69    H3*    G   7           H3*        G   7   6.941   9.531  19.086
   70    H2*    G   7           H2*        G   7   4.787   8.748  18.530
   71   2HO*    G   7          2HO*        G   7   4.146  10.824  19.844
   72    H1*    G   7           H1*        G   7   4.455  10.666  16.451
   73    H8     G   7           H8         G   7   7.801   9.006  16.378
   74    H1     G   7           H1         G   7   3.162   5.607  13.411
   75   1H2     G   7          1H2         G   7   1.325   6.450  13.816
   76   2H2     G   7          2H2         G   7   1.077   7.868  14.811
   77   1H5*    G   8          1H5*        G   8   4.376  12.054  22.171
   78   2H5*    G   8          2H5*        G   8   4.483  11.671  23.889
   79    H4*    G   8           H4*        G   8   3.201   9.989  22.694
   80    H3*    G   8           H3*        G   8   5.864   8.719  23.423
   81    H2*    G   8           H2*        G   8   4.488   6.811  23.648
   82   2HO*    G   8          2HO*        G   8   2.262   8.622  23.518
   83    H1*    G   8           H1*        G   8   2.834   7.470  21.483
   84    H8     G   8           H8         G   8   6.375   8.326  20.688
   85    H1     G   8           H1         G   8   4.965   2.079  19.751
   86   1H2     G   8          1H2         G   8   3.110   1.664  20.552
   87   2H2     G   8          2H2         G   8   2.090   2.834  21.358
   88   1H5*    C   9          1H5*        C   9   3.150   8.121  26.162
   89   2H5*    C   9          2H5*        C   9   3.428   7.576  27.816
   90    H4*    C   9           H4*        C   9   2.179   5.941  26.475
   91    H3*    C   9           H3*        C   9   4.906   5.106  27.482
   92    H2*    C   9           H2*        C   9   4.401   2.901  26.799
   93   2HO*    C   9          2HO*        C   9   1.777   3.857  26.138
   94    H1*    C   9           H1*        C   9   3.341   3.641  24.329
   95   1H4     C   9          1H4         C   9   9.506   2.380  23.186
   96   2H4     C   9          2H4         C   9   9.888   4.044  23.569
   97    H5     C   9           H5         C   9   8.315   5.597  24.400
   98    H6     C   9           H6         C   9   5.964   5.940  25.074
   99   1H5*    U  10          1H5*        U  10   2.430   2.334  28.644
  100   2H5*    U  10          2H5*        U  10   2.215   2.236  30.392
  101    H4*    U  10           H4*        U  10   2.431   0.019  29.734
  102    H3*    U  10           H3*        U  10   4.973   1.085  30.874
  103    H2*    U  10           H2*        U  10   6.142  -0.920  30.424
  104   2HO*    U  10          2HO*        U  10   3.553  -1.871  29.591
  105    H1*    U  10           H1*        U  10   5.177  -1.152  27.801
  106    H3     U  10           H3         U  10   9.646  -0.157  27.549
  107    H5     U  10           H5         U  10   7.720   3.537  27.984
  108    H6     U  10           H6         U  10   5.653   2.294  28.431
  109   1H5*    U  11          1H5*        U  11   4.334  -2.624  32.359
  110   2H5*    U  11          2H5*        U  11   4.328  -2.796  34.115
  111    H4*    U  11           H4*        U  11   5.786  -4.453  33.337
  112    H3*    U  11           H3*        U  11   7.261  -2.087  34.446
  113    H2*    U  11           H2*        U  11   9.336  -3.138  34.031
  114   2HO*    U  11          2HO*        U  11   8.995  -5.466  33.140
  115    H1*    U  11           H1*        U  11   8.656  -3.969  31.443
  116    H3     U  11           H3         U  11  11.698  -0.728  30.611
  117    H5     U  11           H5         U  11   8.307   1.395  31.850
  118    H6     U  11           H6         U  11   7.272  -0.764  32.382
  119   1H5*    G  12          1H5*        G  12   8.953  -5.692  35.881
  120   2H5*    G  12          2H5*        G  12   8.993  -5.667  37.643
  121    H4*    G  12           H4*        G  12  11.122  -6.378  37.046
  122    H3*    G  12           H3*        G  12  11.088  -3.485  37.775
  123    H2*    G  12           H2*        G  12  13.351  -3.193  37.212
  124   2HO*    G  12          2HO*        G  12  13.531  -6.000  36.697
  125    H1*    G  12           H1*        G  12  13.238  -4.649  34.823
  126    H8     G  12           H8         G  12  10.298  -2.404  35.723
  127    H1     G  12           H1         G  12  14.792   0.355  31.972
  128   1H2     G  12          1H2         G  12  16.396  -0.923  31.765
  129   2H2     G  12          2H2         G  12  16.507  -2.508  32.498
  130   1H5*    C  13          1H5*        C  13  14.485  -5.318  39.347
  131   2H5*    C  13          2H5*        C  13  14.775  -4.922  41.040
  132    H4*    C  13           H4*        C  13  16.786  -4.452  39.926
  133    H3*    C  13           H3*        C  13  15.225  -1.970  40.565
  134    H2*    C  13           H2*        C  13  16.925  -0.616  39.634
  135   2HO*    C  13          2HO*        C  13  18.434  -3.000  39.155
  136    H1*    C  13           H1*        C  13  17.220  -2.179  37.328
  137   1H4     C  13          1H4         C  13  13.140   2.336  35.447
  138   2H4     C  13          2H4         C  13  11.872   1.610  36.408
  139    H5     C  13           H5         C  13  12.196  -0.250  37.827
  140    H6     C  13           H6         C  13  13.834  -1.888  38.680
  141   1H5*    U  14          1H5*        U  14  18.926  -1.419  42.025
  142   2H5*    U  14          2H5*        U  14  19.128  -0.554  43.549
  143    H4*    U  14           H4*        U  14  20.191   0.663  41.756
  144    H3*    U  14           H3*        U  14  17.770   1.944  42.993
  145    H2*    U  14           H2*        U  14  18.070   3.858  41.639
  146   2HO*    U  14          2HO*        U  14  20.117   4.212  40.807
  147    H1*    U  14           H1*        U  14  18.532   2.393  39.291
  148    H3     U  14           H3         U  14  14.468   4.160  38.426
  149    H5     U  14           H5         U  14  13.676   1.284  41.365
  150    H6     U  14           H6         U  14  16.098   0.961  41.562
  151   1H5*    G  15          1H5*        G  15  21.019   4.957  43.638
  152   2H5*    G  15          2H5*        G  15  20.828   5.460  45.317
  153    H4*    G  15           H4*        G  15  20.837   7.424  43.996
  154    H3*    G  15           H3*        G  15  18.119   6.687  45.039
  155    H2*    G  15           H2*        G  15  17.190   8.633  44.072
  156   2HO*    G  15          2HO*        G  15  18.689  10.195  44.365
  157    H1*    G  15           H1*        G  15  18.479   8.305  41.609
  158    H8     G  15           H8         G  15  17.345   5.037  43.072
  159    H1     G  15           H1         G  15  12.778   8.123  39.681
  160   1H2     G  15          1H2         G  15  13.433  10.021  39.212
  161   2H2     G  15          2H2         G  15  14.988  10.679  39.670
  162   1H5*    G  16          1H5*        G  16  18.322  10.404  46.201
  163   2H5*    G  16          2H5*        G  16  17.562  10.777  47.748
  164    H4*    G  16           H4*        G  16  16.312  11.763  45.926
  165    H3*    G  16           H3*        G  16  14.863   9.463  47.273
  166    H2*    G  16           H2*        G  16  12.910  10.253  46.198
  167   2HO*    G  16          2HO*        G  16  12.869  12.420  46.100
  168    H1*    G  16           H1*        G  16  14.199  10.731  43.747
  169    H8     G  16           H8         G  16  15.339   7.573  45.444
  170    H1     G  16           H1         G  16  10.065   6.836  41.766
  171   1H2     G  16          1H2         G  16   9.387   8.685  41.156
  172   2H2     G  16          2H2         G  16  10.136  10.209  41.578
  173   1H5*    A  17          1H5*        A  17  12.462   8.901  48.634
  174   2H5*    A  17          2H5*        A  17  11.668   9.418  47.148
  175    H4*    A  17           H4*        A  17  10.342   8.640  49.341
  176    H3*    A  17           H3*        A  17   9.521  10.647  47.240
  177    H2*    A  17           H2*        A  17   7.436  10.866  48.330
  178   2HO*    A  17          2HO*        A  17   7.036   8.735  48.815
  179    H1*    A  17           H1*        A  17   8.546  11.007  50.902
  180    H8     A  17           H8         A  17  10.878  13.027  49.030
  181   1H6     A  17          1H6         A  17   6.692  17.655  48.944
  182   2H6     A  17          2H6         A  17   8.370  17.255  48.648
  183    H2     A  17           H2         A  17   4.634  13.944  50.260
  184   1H5*    G  18          1H5*        G  18   4.978   9.842  46.864
  185   2H5*    G  18          2H5*        G  18   5.438   9.207  45.285
  186    H4*    G  18           H4*        G  18   4.214  11.356  45.181
  187    H3*    G  18           H3*        G  18   6.896  10.992  43.956
  188    H2*    G  18           H2*        G  18   7.093  13.266  43.349
  189   2HO*    G  18          2HO*        G  18   4.472  12.914  43.339
  190    H1*    G  18           H1*        G  18   6.313  14.267  45.825
  191    H8     G  18           H8         G  18   8.482  11.139  45.317
  192    H1     G  18           H1         G  18  11.649  16.471  47.167
  193   1H2     G  18          1H2         G  18  10.326  18.047  47.301
  194   2H2     G  18          2H2         G  18   8.613  17.940  46.962
  195   1H5*    A  19          1H5*        A  19   4.194  12.651  41.531
  196   2H5*    A  19          2H5*        A  19   3.712  12.086  39.932
  197    H4*    A  19           H4*        A  19   4.180  14.241  39.414
  198    H3*    A  19           H3*        A  19   6.573  12.615  38.921
  199    H2*    A  19           H2*        A  19   8.103  14.413  38.820
  200   2HO*    A  19          2HO*        A  19   6.008  16.266  39.324
  201    H1*    A  19           H1*        A  19   7.189  15.635  41.164
  202    H8     A  19           H8         A  19   7.771  11.911  40.395
  203   1H6     A  19          1H6         A  19  12.525  12.361  44.413
  204   2H6     A  19          2H6         A  19  11.667  11.268  43.350
  205    H2     A  19           H2         A  19  10.557  16.335  44.138
  206   1H5*    C  20          1H5*        C  20   6.747  11.129  34.375
  207   2H5*    C  20          2H5*        C  20   6.498  10.660  36.057
  208    H4*    C  20           H4*        C  20   7.913  13.228  35.405
  209    H3*    C  20           H3*        C  20   9.033  10.479  35.041
  210    H2*    C  20           H2*        C  20  11.062  11.082  36.094
  211   2HO*    C  20          2HO*        C  20  11.606  13.182  35.875
  212    H1*    C  20           H1*        C  20   9.818  12.380  38.245
  213   1H4     C  20          1H4         C  20  11.115   6.374  40.117
  214   2H4     C  20          2H4         C  20   9.441   5.987  39.785
  215    H5     C  20           H5         C  20   7.929   7.474  38.745
  216    H6     C  20           H6         C  20   7.648   9.718  37.756
  217   1H5*    G  21          1H5*        G  21  11.941  13.175  33.976
  218   2H5*    G  21          2H5*        G  21  12.352  13.057  32.265
  219    H4*    G  21           H4*        G  21  14.406  13.228  33.363
  220    H3*    G  21           H3*        G  21  13.792  10.438  32.499
  221    H2*    G  21           H2*        G  21  15.757   9.584  33.494
  222   2HO*    G  21          2HO*        G  21  16.867  11.772  34.573
  223    H1*    G  21           H1*        G  21  15.392  11.028  35.897
  224    H8     G  21           H8         G  21  12.183   9.564  34.668
  225    H1     G  21           H1         G  21  15.798   5.395  38.050
  226   1H2     G  21          1H2         G  21  17.668   6.203  38.366
  227   2H2     G  21          2H2         G  21  18.180   7.777  37.800
  228   1H5*    G  22          1H5*        G  22  17.888  10.960  31.646
  229   2H5*    G  22          2H5*        G  22  18.161  10.576  29.947
  230    H4*    G  22           H4*        G  22  19.729   9.327  31.208
  231    H3*    G  22           H3*        G  22  17.487   7.681  30.080
  232    H2*    G  22           H2*        G  22  18.445   5.709  30.966
  233   2HO*    G  22          2HO*        G  22  20.642   6.855  32.166
  234    H1*    G  22           H1*        G  22  18.962   6.832  33.485
  235    H8     G  22           H8         G  22  15.667   7.992  32.156
  236    H1     G  22           H1         G  22  15.400   2.212  35.055
  237   1H2     G  22          1H2         G  22  17.313   1.542  35.431
  238   2H2     G  22          2H2         G  22  18.772   2.414  35.022
  239   1H5*    C  23          1H5*        C  23  21.041   5.749  29.335
  240   2H5*    C  23          2H5*        C  23  21.247   5.317  27.638
  241    H4*    C  23           H4*        C  23  21.683   3.356  28.849
  242    H3*    C  23           H3*        C  23  18.956   3.327  27.593
  243    H2*    C  23           H2*        C  23  18.574   1.142  28.408
  244   2HO*    C  23          2HO*        C  23  21.382   1.416  28.849
  245    H1*    C  23           H1*        C  23  19.537   1.696  30.985
  246   1H4     C  23          1H4         C  23  13.237   2.500  31.551
  247   2H4     C  23          2H4         C  23  13.356   4.042  30.735
  248    H5     C  23           H5         C  23  15.354   4.886  29.802
  249    H6     C  23           H6         C  23  17.756   4.456  29.422
  250   1H5*    A  24          1H5*        A  24  21.151  -0.197  26.530
  251   2H5*    A  24          2H5*        A  24  21.015  -0.568  24.811
  252    H4*    A  24           H4*        A  24  20.498  -2.565  25.922
  253    H3*    A  24           H3*        A  24  18.114  -1.169  24.810
  254    H2*    A  24           H2*        A  24  16.607  -2.732  25.745
  255   2HO*    A  24          2HO*        A  24  17.701  -4.628  25.458
  256    H1*    A  24           H1*        A  24  17.819  -2.713  28.277
  257    H8     A  24           H8         A  24  17.507   0.593  26.430
  258   1H6     A  24          1H6         A  24  12.221   1.395  29.648
  259   2H6     A  24          2H6         A  24  13.335   2.162  28.538
  260    H2     A  24           H2         A  24  13.756  -2.688  30.492
  261   1H5*    A  25          1H5*        A  25  18.094  -5.461  23.610
  262   2H5*    A  25          2H5*        A  25  17.044  -5.737  22.219
  263    H4*    A  25           H4*        A  25  16.354  -6.923  24.298
  264    H3*    A  25           H3*        A  25  14.504  -5.074  22.841
  265    H2*    A  25           H2*        A  25  12.772  -5.472  24.401
  266   2HO*    A  25          2HO*        A  25  14.568  -7.590  24.926
  267    H1*    A  25           H1*        A  25  14.416  -5.163  26.647
  268    H8     A  25           H8         A  25  15.347  -2.699  23.996
  269   1H6     A  25          1H6         A  25  10.943   1.036  26.364
  270   2H6     A  25          2H6         A  25  12.273   0.955  25.231
  271    H2     A  25           H2         A  25  10.566  -2.951  28.288
  272   1H5*    G  26          1H5*        G  26  12.125  -7.694  23.786
  273   2H5*    G  26          2H5*        G  26  11.466  -8.688  22.487
  274    H4*    G  26           H4*        G  26   9.583  -8.002  23.652
  275    H3*    G  26           H3*        G  26   9.954  -6.051  21.362
  276    H2*    G  26           H2*        G  26   7.809  -5.232  21.861
  277   2HO*    G  26          2HO*        G  26   6.367  -6.656  22.815
  278    H1*    G  26           H1*        G  26   8.070  -5.250  24.612
  279    H8     G  26           H8         G  26  11.356  -4.445  22.981
  280    H1     G  26           H1         G  26   7.486   0.683  23.762
  281   1H2     G  26          1H2         G  26   5.619   0.051  24.369
  282   2H2     G  26          2H2         G  26   5.169  -1.620  24.627
  283   1H5*    A  27          1H5*        A  27   7.061  -8.979  20.294
  284   2H5*    A  27          2H5*        A  27   6.300  -8.925  18.705
  285    H4*    A  27           H4*        A  27   5.311  -7.496  20.598
  286    H3*    A  27           H3*        A  27   5.964  -6.046  18.004
  287    H2*    A  27           H2*        A  27   4.178  -4.666  18.686
  288   2HO*    A  27          2HO*        A  27   3.316  -6.153  20.831
  289    H1*    A  27           H1*        A  27   4.822  -4.725  21.401
  290    H8     A  27           H8         A  27   7.933  -4.630  19.329
  291   1H6     A  27          1H6         A  27   7.364   1.585  19.336
  292   2H6     A  27          2H6         A  27   8.423   0.259  18.911
  293    H2     A  27           H2         A  27   3.662  -0.152  21.077
  294   1H5*    G  28          1H5*        G  28   2.072  -7.693  17.462
  295   2H5*    G  28          2H5*        G  28   1.306  -7.538  15.882
  296    H4*    G  28           H4*        G  28   0.259  -6.036  17.442
  297    H3*    G  28           H3*        G  28   1.810  -4.825  15.195
  298    H2*    G  28           H2*        G  28   1.390  -2.630  15.959
  299   2HO*    G  28          2HO*        G  28  -0.219  -3.838  18.008
  300    H1*    G  28           H1*        G  28   1.981  -3.249  18.651
  301    H8     G  28           H8         G  28   4.454  -4.870  16.398
  302    H1     G  28           H1         G  28   5.756   1.365  17.547
  303   1H2     G  28          1H2         G  28   4.144   2.243  18.487
  304   2H2     G  28          2H2         G  28   2.661   1.414  18.902
  305   1H5*    G  29          1H5*        G  29  -2.198  -3.702  15.552
  306   2H5*    G  29          2H5*        G  29  -3.233  -2.875  14.388
  307    H4*    G  29           H4*        G  29  -1.769  -1.293  15.476
  308    H3*    G  29           H3*        G  29  -0.589  -1.611  12.703
  309    H2*    G  29           H2*        G  29  -0.220   0.686  13.017
  310   2HO*    G  29          2HO*        G  29  -1.925   0.926  15.220
  311    H1*    G  29           H1*        G  29   0.114   0.529  15.807
  312    H8     G  29           H8         G  29   1.692  -2.158  13.625
  313    H1     G  29           H1         G  29   5.557   2.846  15.008
  314   1H2     G  29          1H2         G  29   4.478   4.295  16.002
  315   2H2     G  29          2H2         G  29   2.779   4.174  16.401
  316   1H5*    C  30          1H5*        C  30  -0.806   0.245   9.791
  317   2H5*    C  30          2H5*        C  30  -1.113   0.178  11.525
  318    H4*    C  30           H4*        C  30  -3.276   1.548  10.199
  319    H3*    C  30           H3*        C  30  -0.622   2.233   9.148
  320    H2*    C  30           H2*        C  30  -0.665   4.508   9.756
  321   2HO*    C  30          2HO*        C  30  -3.317   4.103  10.753
  322    H1*    C  30           H1*        C  30  -1.486   4.145  12.355
  323   1H4     C  30          1H4         C  30   4.872   3.726  12.745
  324   2H4     C  30          2H4         C  30   4.781   2.041  12.286
  325    H5     C  30           H5         C  30   2.782   0.956  11.649
  326    H6     C  30           H6         C  30   0.354   1.224  11.293
  327   1H5*    G  31          1H5*        G  31  -3.028   5.202   7.880
  328   2H5*    G  31          2H5*        G  31  -2.804   5.754   6.221
  329    H4*    G  31           H4*        G  31  -2.368   7.537   7.821
  330    H3*    G  31           H3*        G  31   0.045   6.572   6.267
  331    H2*    G  31           H2*        G  31   1.195   8.477   7.064
  332   2HO*    G  31          2HO*        G  31  -0.479   9.895   8.426
  333    H1*    G  31           H1*        G  31   0.250   8.234   9.688
  334    H8     G  31           H8         G  31   0.969   4.854   8.286
  335    H1     G  31           H1         G  31   6.231   7.875  10.534
  336   1H2     G  31          1H2         G  31   5.772   9.843  10.948
  337   2H2     G  31          2H2         G  31   4.195  10.566  10.720
  338   1H5*    A  32          1H5*        A  32  -0.842  10.512   5.667
  339   2H5*    A  32          2H5*        A  32  -0.783  11.130   4.017
  340    H4*    A  32           H4*        A  32   0.456  12.640   5.331
  341    H3*    A  32           H3*        A  32   2.191  10.841   3.670
  342    H2*    A  32           H2*        A  32   4.134  11.929   4.461
  343   2HO*    A  32          2HO*        A  32   2.150  13.795   4.874
  344    H1*    A  32           H1*        A  32   3.324  11.919   7.143
  345    H8     A  32           H8         A  32   2.361   8.729   5.446
  346   1H6     A  32          1H6         A  32   8.043   6.607   6.920
  347   2H6     A  32          2H6         A  32   6.480   6.149   6.282
  348    H2     A  32           H2         A  32   7.898  10.951   7.844
  349   1H5*    G  33          1H5*        G  33   3.348  14.936   3.387
  350   2H5*    G  33          2H5*        G  33   3.354  15.435   1.697
  351    H4*    G  33           H4*        G  33   5.331  16.320   2.500
  352    H3*    G  33           H3*        G  33   5.828  13.746   1.076
  353    H2*    G  33           H2*        G  33   8.133  13.775   1.609
  354   2HO*    G  33          2HO*        G  33   8.241  16.059   3.089
  355    H1*    G  33           H1*        G  33   7.709  14.406   4.314
  356    H8     G  33           H8         G  33   5.233  11.936   2.915
  357    H1     G  33           H1         G  33  10.667   9.247   5.176
  358   1H2     G  33          1H2         G  33  12.032  10.725   5.626
  359   2H2     G  33          2H2         G  33  11.747  12.439   5.422
  360   1H5*    U  34          1H5*        U  34   8.725  16.801  -0.161
  361   2H5*    U  34          2H5*        U  34   8.795  16.841  -1.922
  362    H4*    U  34           H4*        U  34  11.027  16.806  -1.116
  363    H3*    U  34           H3*        U  34  10.098  14.282  -2.414
  364    H2*    U  34           H2*        U  34  12.150  13.191  -1.986
  365   2HO*    U  34          2HO*        U  34  12.867  15.763  -2.083
  366    H1*    U  34           H1*        U  34  12.290  14.087   0.687
  367    H3     U  34           H3         U  34  11.726   9.544   0.820
  368    H5     U  34           H5         U  34   7.876  11.105   0.295
  369    H6     U  34           H6         U  34   8.919  13.295  -0.064
  370   1H5*    C  35          1H5*        C  35  13.953  15.133  -4.153
  371   2H5*    C  35          2H5*        C  35  13.741  15.228  -5.902
  372    H4*    C  35           H4*        C  35  15.565  13.804  -5.608
  373    H3*    C  35           H3*        C  35  13.054  12.305  -6.223
  374    H2*    C  35           H2*        C  35  14.149  10.219  -6.040
  375   2HO*    C  35          2HO*        C  35  16.630  11.427  -5.448
  376    H1*    C  35           H1*        C  35  15.484  10.907  -3.653
  377   1H4     C  35          1H4         C  35  10.385   7.580  -1.732
  378   2H4     C  35          2H4         C  35   9.397   9.013  -1.905
  379    H5     C  35           H5         C  35  10.184  11.053  -2.797
  380    H6     C  35           H6         C  35  12.132  12.232  -3.752
  381   1H5*    C  36          1H5*        C  36  15.943  10.655  -9.265
  382   2H5*    C  36          2H5*        C  36  15.037  10.799 -10.771
  383    H4*    C  36           H4*        C  36  15.787   8.555 -10.604
  384    H3*    C  36           H3*        C  36  12.844   8.891 -10.097
  385    H2*    C  36           H2*        C  36  12.595   6.550  -9.881
  386   2HO*    C  36          2HO*        C  36  15.330   6.077 -10.380
  387    H1*    C  36           H1*        C  36  14.851   6.248  -8.235
  388   1H4     C  36          1H4         C  36   9.975   6.600  -4.134
  389   2H4     C  36          2H4         C  36   9.958   8.341  -4.311
  390    H5     C  36           H5         C  36  11.322   9.521  -5.834
  391    H6     C  36           H6         C  36  13.059   9.321  -7.579