*HEADER    RNA                                     29-MAR-06   2GIP              
*TITLE     SOLUTION STRUCTURE OF A PORTION OF THE 5'UTR OF HSPA MRNA             
*TITLE    2 FROM BRADYRHIZOBIUM JANPONICUM HAVING DELETED G83                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 28-MER;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES;                                                       
*COMPND   6 OTHER_DETAILS: DELG83 MICROROSE RNA                                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE FOR THIS RNA NATURALLY OCCURS            
*SOURCE   4 IN BRADYRHIZOBIUM JAPONICUM.                                         
*KEYWDS    A FORM RNA HELIX                                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.CHOWDHURY, C.MARIS, F.H.ALLAIN, F.NARBERHAUS                        
*REVDAT   1   20-JUN-06 2GIP    0                                                


1  RGUA H8 1  RGUA H1' 3.7
1  RGUA H8 1  RGUA  H2' 4.5
1  RGUA H8 1  RGUA H3' 3.7
1  RGUA H8 1  RGUA H4' 5.0
1  RGUA H8 1  RGUA  H5' 4.5
1  RGUA H8 1  RGUA  Q5' 4.5
1  RGUA H1' 1  RGUA H8 3.7
#
2  RGUA H8 1  RGUA H8 5.0
2  RGUA H8 1  RGUA H1' 4.5
2  RGUA H8 1  RGUA  H2' 2.5
2  RGUA H8 1  RGUA H3' 3.0
2  RGUA H1' 1  RGUA  H2' 4.5
2  RGUA H8 2  RGUA H1' 3.7
2  RGUA H8 2  RGUA  H2' 4.5
2  RGUA H8 2  RGUA H3' 3.7
2  RGUA H8 2  RGUA H4' 5.0
2  RGUA H8 2  RGUA  H5' 4.5
2  RGUA H8 2  RGUA  Q5' 4.5
# 
3  RCYT H6 2  RGUA H1' 4.5
3  RCYT H6 2  RGUA  H2' 2.5
3  RCYT H6 2  RGUA H3' 3.0
3  RCYT H1' 2  RGUA  H2' 3.7
3  RCYT H5 2  RGUA  H2' 4.5
3  RCYT H5 2  RGUA H3' 3.7
3  RCYT H6 3  RCYT H1' 3.7
3  RCYT H6 3  RCYT  H2' 4.5
3  RCYT H6 3  RCYT H3' 3.7
3  RCYT H6 3  RCYT H4' 4.5
3  RCYT H6 3  RCYT  Q5' 4.5
# 
4  RCYT H6 3  RCYT H1' 5.0
4  RCYT H1' 3  RCYT  H2' 3.7
4  RCYT H6 3  RCYT  H2' 2.5
4  RCYT H6 3  RCYT H3' 3.0
4  RCYT H5 3  RCYT  H2' 4.5
4  RCYT H5 3  RCYT H3' 3.7
4  RCYT H6 4  RCYT H1' 3.7
4  RCYT H6 4  RCYT  H2' 4.5
4  RCYT H6 4  RCYT H3' 3.7
4  RCYT H6 4  RCYT H4' 4.5
4  RCYT H6 4  RCYT  H5' 4.5
4  RCYT H6 4  RCYT  Q5' 4.5
#
5  RADE H8 4  RCYT H6 5.0
5  RADE H8 4  RCYT H1' 4.5
5  RADE H8 4  RCYT  H2' 2.5
5  RADE H8 4  RCYT H3' 3.0
5  RADE H1' 4  RCYT H1' 5.0
5  RADE H1' 4  RCYT  H2' 4.5
5  RADE H8 5  RADE H1' 3.7
5  RADE H8 5  RADE  H2' 4.5
5  RADE H8 5  RADE H3' 3.7
5  RADE H8 5  RADE H4' 4.5
5  RADE H8 5  RADE Q5' 4.5
5  RADE H2 5  RADE H1' 5.0
5  RADE H2 5  RADE  H2' 6.0
5  RADE H8 6  RURA H6 5.0
5  RADE H2 6  RURA H1' 3.7
5  RADE H2 25 RGUA H1' 4.5
5  RADE H2 25 RGUA H8 6.0
# 
6  RURA  H6 5  RADE H1' 5.0
6  RURA  H6 5  RADE  H2' 3.0
6  RURA  H1' 5  RADE H1' 6.0
6  RURA  H1' 5  RADE  H2' 6.0
6  RURA  H5 5  RADE H1' 6.0
6  RURA  H5 5  RADE  H2' 4.5
6  RURA  H6 6  RURA H1' 3.7
6  RURA  H6 6  RURA  H2' 4.5
6  RURA  H6 6  RURA H3' 3.0
6  RURA  H6 6  RURA H4' 4.5
6  RURA  H6 6  RURA Q5' 4.5
6  RURA  H5 6  RURA H3' 5.0
6  RURA  H6 7  RCYT H6 5.0
6  RURA  H6 7  RCYT H5 4.5
6  RURA  H1' 7  RCYT H1' 6.0
6  RURA  H1' 7  RCYT H5 6.0
# 
7  RCYT H6 6  RURA H1' 5.0
7  RCYT H6 6  RURA  H2' 2.5
7  RCYT H6 6  RURA H3' 4.5
7  RCYT H5 6  RURA H5 6.0
7  RCYT H5 6  RURA  H2' 4.5
7  RCYT H5 6  RURA H3' 4.5
7  RCYT H1' 6  RURA  H2' 6.0
7  RCYT H6 7  RCYT H1' 3.7
7  RCYT H6 7  RCYT  H2' 4.5
7  RCYT H6 7  RCYT H3' 3.0
7  RCYT H6 7  RCYT H4' 4.5
7  RCYT H6 7  RCYT Q5' 4.5
7  RCYT H5 7  RCYT H1' 6.0
7  RCYT H5 7  RCYT H3' 5.0
7  RCYT H6 8  RURA H5 6.0
7  RCYT H5 8  RURA H5 4.5
7  RCYT H6 8  RURA H6 6.0
#
8  RURA  H6 7  RCYT H1' 5.0
8  RURA  H6 7  RCYT  H2' 2.5
8  RURA  H6 7  RCYT H3' 4.5
8  RURA  H1' 7  RCYT  H2' 6.0
8  RURA  H6 8  RURA H1' 3.7
8  RURA  H6 8  RURA  H2' 4.5
8  RURA  H6 8  RURA H3' 3.7
8  RURA  H6 8  RURA H4' 4.5
8  RURA  H6 8  RURA Q5' 4.5
8  RURA  H5 8  RURA H1' 6.0
8  RURA  H6 9  RURA H6 5.0
8  RURA  H6 9  RURA H5 5.0
8  RURA  H1' 9  RURA H1' 5.0
#
9  RURA  H6 8  RURA H1' 6.0
9  RURA  H6 8  RURA  H2' 3.0
9  RURA  H6 8  RURA  H2' 3.7
9  RURA  H6 9  RURA H1' 3.7
9  RURA  H6 9  RURA  H2' 4.5
9  RURA  H6 9  RURA H3' 3.7
9  RURA  H6 9  RURA H4' 4.5
9  RURA  H6 9  RURA Q5' 4.5
9  RURA  H5 8 RURA H5 5.0
9  RURA  H5 9  RURA H1' 6.0
9  RURA  H5 8  RURA H6 4.5
9  RURA  H1' 10 RCYT H1' 6.0
#
10 RCYT H6 9  RURA H6 5.0
10 RCYT H6 9  RURA H1' 4.5
10 RCYT H6 9  RURA  H2' 2.5
10 RCYT H6 9  RURA H3' 4.5
10 RCYT H6 10 RCYT H1' 3.7
10 RCYT H6 10 RCYT  H2' 4.5
10 RCYT H6 10 RCYT H3' 3.7
10 RCYT H6 10 RCYT H4' 4.5
10 RCYT H6 10 RCYT Q5' 4.5
10 RCYT H5 10 RCYT H1' 6.0
10 RCYT H6 11 RURA H5 4.5
10 RCYT H5 11 RURA H5 5.0
# 
11 RURA  H6 10 RCYT H1' 4.5
11 RURA  H5 10 RCYT  H2' 4.5
11 RURA  H5 10 RCYT H3' 3.7
11 RURA  H6 10 RCYT  H2' 2.5
11 RURA  H5 10 RCYT H5 5.0
11 RURA  H5 10 RCYT H6 4.5
11 RURA  H6 11 RURA H1' 3.7
11 RURA  H6 11 RURA  H2' 4.5
11 RURA  H6 11 RURA H3' 3.7
11 RURA  H6 11 RURA H4' 4.5
11 RURA  H6 11 RURA Q5' 4.5
11 RURA  H5 12 RCYT H5 5.0
11 RURA  H6 12 RCYT H5 4.5
11 RURA  H6 12 RCYT H6 5.0
#
12 RCYT H6 11 RURA H1' 4.5
12 RCYT H6 11 RURA  H2' 2.5
12 RCYT H6 11 RURA H3' 3.0
12 RCYT H6 12 RCYT H1' 3.7
12 RCYT H6 12 RCYT  H2' 4.5
12 RCYT H6 12 RCYT H3' 3.7
12 RCYT H6 12 RCYT H4' 5.0
12 RCYT H6 12 RCYT Q5' 4.5
12 RCYT H5 13 RURA H5 5.0
12    RCYT  H5    11    RURA  H6    4.5
#
13    RURA  H5    13    RURA  H3'   4.5
13    RURA  H5    12    RURA  H6    4.5
13 RURA  H6 12 RCYT H6 5.0
13 RURA  H6 12 RCYT  H2' 2.5
13 RURA  H6 12 RCYT H3' 3.7
13 RURA  H6 12 RCYT H4' 6.0
13 RURA  H6 12 RCYT H1' 5.0
13 RURA  H6 13 RURA H1' 3.7
13 RURA  H6 13 RURA  H2' 3.7
13 RURA  H6 13 RURA H3' 2.5
13 RURA  H6 13 RURA H4' 4.5
13 RURA  H6 13 RURA Q5' 5.0
#
14    RURA  H6    13    RURA  H2'   4.5
14    RURA  H6    13    RURA  H3'   4.5
14 RURA  H6 13 RURA H4' 3.0
14 RURA  H6 13 RURA Q5' 4.5
14    RURA  H5    13    RURA  H1'   5.0
14 RURA  H5 13 RURA H4' 2.5
14 RURA  H5 13 RURA H5' 3.7
14 RURA  H6 14 RURA H1' 3.7
14 RURA  H6 14 RURA  H2' 2.5
14 RURA  H6 14 RURA H3' 4.5
14 RURA  H6 14 RURA H4' 4.5
14 RURA  H6 14 RURA Q5' 4.5
14 RURA  H6 15 RCYT H6 6.0
14 RURA  H6 15 RCYT H5 5.0
14 RURA  H1' 15 RCYT  Q5' 4.5
#
15    RCYT  H5    14    RURA  H1'   6.0
15    RCYT  H5    14    RURA  H2'   6.0
15    RCYT  H5    14    RURA  H3'   3.7
15    RCYT  H5    14    RURA  H6    6.0
15 RCYT H6 14 RURA H1' 6.0
15 RCYT H6 14 RURA  H2' 3.7
15 RCYT H6 14 RURA H3'   2.5
15 RCYT H6 14 RURA H4' 4.5
15 RCYT H6 14 RURA Q5' 5.0
15 RCYT H6 15 RCYT H1' 3.7
15 RCYT H6 15 RCYT  H2' 2.5
15 RCYT H6 15 RCYT H3' 4.5
15 RCYT H6 15 RCYT H4' 4.5
15 RCYT H6 15 RCYT Q5'   3.0
#
16 RGUA H8 14 RURA H1' 6.0  
16 RGUA H8 15 RCYT H4' 4.5
16 RGUA H8 15 RCYT Q5' 4.5
16 RGUA H8 15 RCYT  Q5' 4.5
16 RGUA H8 16 RGUA H1' 2.5
16 RGUA H8 16 RGUA  H2' 3.7
16 RGUA H8 16 RGUA H3' 6.0
16 RGUA H8 16 RGUA H4' 6.0
16 RGUA H8 16 RGUA Q5' 6.0
16 RGUA H8 16 RGUA  Q5' 6.0
16 RGUA H8 17 RGUA H1' 3.7
16 RGUA H8 17 RGUA H4' 6.0
#
17 RGUA H8 16 RGUA H1' 5.0
17 RGUA H8 16 RGUA  H2' 2.5
17 RGUA H8 16 RGUA H3' 3.0
17 RGUA H8 16 RGUA H4' 5.0
17 RGUA H8 16 RGUA  Q5' 6.0
17 RGUA H1' 16 RGUA  H2' 4.5
17 RGUA H8 17 RGUA H1' 3.7
17 RGUA H8 17 RGUA  H2' 4.5
17 RGUA H8 17 RGUA H3' 3.7
17 RGUA H8 17 RGUA H4' 4.5
17 RGUA H8 17 RGUA  Q5' 4.5
#
18 RADE H8 17 RGUA H1' 4.5
18 RADE H8 17 RGUA  H2' 2.5
18 RADE H8 17 RGUA H3' 3.0
18 RADE H1' 17 RGUA  H2' 3.7
18 RADE H8 17 RGUA H8 5.0
18 RADE H8 18 RADE H1' 3.7
18 RADE H8 18 RADE  H2' 4.5
18 RADE H8 18 RADE H3' 3.7
18 RADE H8 18 RADE H4' 4.5
18 RADE H8 18 RADE  H5' 4.5
18 RADE H8 18 RADE  Q5' 4.5
18 RADE H1' 19 RGUA H1' 5.0
18 RADE H1' 19 RGUA Q5' 5.0
18 RADE H8 19 RGUA H8 5.0
18 RADE H2 19 RGUA H1' 3.7
18 RADE H2 19 RGUA H8 6.0
18 RADE H2 12 RCYT H1' 4.5
18 RADE H2 12 RCYT H5 6.0
18 RADE H2 12 RCYT H6 6.0
#
19 RGUA H8 18 RADE H8 5.0
19 RGUA H8 18 RADE H1' 4.5
19 RGUA H8 18 RADE  H2' 2.5
19 RGUA H8 18 RADE H3' 4.5
19 RGUA H1' 18 RADE  H2' 6.0
19 RGUA H8 19 RGUA H1' 3.7
19 RGUA H8 19 RGUA  H2' 4.5 
19 RGUA H8 19 RGUA H3' 3.0
19 RGUA H8 19 RGUA H4' 4.5
19 RGUA H8 19 RGUA Q5' 4.5
19 RGUA H1' 18 RADE  H2' 4.5
# 
20 RGUA H8 19 RGUA H8 5.0
20 RGUA H8 19 RGUA H1' 4.5
20 RGUA H8 19 RGUA  H2' 2.5
20 RGUA H8 19 RGUA H3' 3.0
20 RGUA H1' 19 RGUA  H2' 5.0
20 RGUA H8 20 RGUA H1' 3.7
20 RGUA H8 20 RGUA  H2' 4.5
20 RGUA H8 20 RGUA H3'  3.7
20 RGUA H8 20 RGUA H4' 4.5
20 RGUA H8 20 RGUA Q5' 4.5 
20 RGUA H8 21 RADE H8 5.0
#
21 RADE H8 20 RGUA H1' 4.5
21 RADE H8 20 RGUA  H2' 3.0
21 RADE H8 20 RGUA H3' 3.7
21 RADE H8 21 RADE H1' 3.7
21 RADE H8 21 RADE  H2' 4.5
21 RADE H8 21 RADE H3' 3.7
21 RADE H8 21 RADE H4' 4.5
21 RADE H8 21 RADE Q5' 4.5
21 RADE H1' 22 RURA H1' 6.0
21 RADE H1' 20 RGUA  H2' 4.5
21 RADE H8 22 RURA H6 5.0
21 RADE H2 21 RADE H1' 5.0
21 RADE H2 22 RURA H1' 3.7
21 RADE H2 9  RURA H1' 4.5
21 RADE H2 22 RURA H6 5.0
#
22 RURA  H6 21 RADE H1' 5.0 
22 RURA  H6 22 RURA H1' 3.7
22 RURA  H6 22 RURA  H2' 4.5
22 RURA  H6 22 RURA H3' 3.7
22 RURA  H6 22 RURA H4' 4.5
22 RURA  H6 22 RURA Q5' 4.5
22 RURA  H1' 23 RURA H1' 6.0
22 RURA  H1' 23 RURA H5 6.0
22 RURA  H1' 21 RADE H1' 6.0
22 RURA  H5 22 RURA H1' 6.0
22 RURA  H5 22 RURA  H2' 6.0
22 RURA  H5 22 RURA H3' 5.0
22 RURA  H6 21 RADE H3' 3.7
22 RURA  H6 23 RURA H6 5.0
22 RURA  H5 21 RADE H8 5.0
#
23 RURA  H6 22 RURA H1' 5.0
23 RURA  H6 22 RURA  H2' 2.5
23 RURA  H5 22 RURA H5 6.0
23 RURA  H5 22 RURA H1' 6.0
23 RURA  H5 22 RURA  H2' 4.5
23 RURA  H5 22 RURA H3' 4.5
23 RURA  H6 23 RURA H1' 3.7
23 RURA  H6 23 RURA  H2' 4.5
23 RURA  H6 23 RURA H3' 3.7
23 RURA  H6 23 RURA H4' 4.5
23 RURA  H6 23 RURA Q5' 4.5
23 RURA  H1' 23 RURA H5 6.0
23 RURA  H5 23 RURA  H2' 6.0
23 RURA  H6 24 RURA H6 5.0
23 RURA  H1' 24 RURA H1' 6.0
#
24 RURA  H6 23 RURA H1' 5.0
24 RURA  H6 23 RURA  H2' 2.5
24 RURA  H6 23 RURA H3' 3.7
24 RURA  H1' 23 RURA  H2' 4.5
24 RURA  H5 23 RURA H5 6.0
24 RURA  H5 23 RURA  H2' 4.5
24 RURA  H5 23 RURA H3' 4.5
24 RURA  H6 24 RURA H1' 3.7
24 RURA  H6 24 RURA  H2' 4.5
24 RURA  H6 24 RURA H3' 3.7
24 RURA  H6 24 RURA H4' 4.5
24 RURA  H6 24 RURA Q5' 4.5
24 RURA  H1' 24 RURA H5 6.0  
24 RURA  H5 24 RURA  H2' 6.0  
24 RURA  H1' 25 RGUA H1' 6.0
#
25 RGUA H8 24 RURA H6 5.0
25 RGUA H8 24 RURA H1' 4.5
25 RGUA H8 24 RURA  H2' 2.5
25 RGUA H8 24 RURA H3' 3.7
25 RGUA H1' 24 RURA  H2' 4.5
25 RGUA H8 25 RGUA H1' 3.7
25 RGUA H8 25 RGUA  H2' 4.5
25 RGUA H8 25 RGUA H3' 3.7
25 RGUA H8 25 RGUA H4' 4.5
25 RGUA H8 25 RGUA Q5' 4.5
25 RGUA H8 26 RGUA H8 5.0
#
26 RGUA H8 25 RGUA H8 5.0
26 RGUA H8 25 RGUA H1' 4.5
26 RGUA H8 25 RGUA  H2' 2.5
26 RGUA H8 25 RGUA H3' 3.0
26 RGUA H8 26 RGUA H1' 3.7
26 RGUA H8 26 RGUA  H2' 4.5
26 RGUA H8 26 RGUA H3' 3.7
26 RGUA H8 26 RGUA H4' 4.5
26 RGUA H8 26 RGUA Q5' 4.5
26    RGUA  H2'   27    RCYT H1' 3.7
26 RGUA H8 27 RCYT H6 5.0
26  RGUA  H8    27    RCYT H5 4.5
#
27 RCYT H6 26 RGUA H8 5.0
27 RCYT H6 26 RGUA H1' 4.5
27 RCYT H6 26 RGUA  H2' 2.5
27 RCYT H6 26 RGUA H3' 3.0
27 RCYT H6 26 RGUA H4' 5.0
27 RCYT H5 26 RGUA H1' 5.0
27 RCYT H5 26 RGUA  H2' 4.5
27 RCYT H5 26 RGUA H3' 3.7
27 RCYT H6 27 RCYT H1' 3.7
27 RCYT H6 27 RCYT  H2' 4.5
27 RCYT H6 27 RCYT H3' 3.7
27 RCYT H6 27 RCYT H4' 4.5
27 RCYT H6 27 RCYT  H5' 4.5
27 RCYT H6 27 RCYT  Q5' 4.5
27 RCYT H1' 27 RCYT H5 6.0
27 RCYT H6 28 RCYT H5 4.5
27 RCYT H5 28 RCYT H5 5.0
#
28 RCYT H6 27 RCYT H6 5.0
28 RCYT H6 27 RCYT H1' 4.5
28 RCYT H6 27 RCYT  H2' 2.5
28 RCYT H6 27 RCYT H3' 3.0
28 RCYT H5 27 RCYT  H2' 4.5
28 RCYT H5 27 RCYT H3' 3.7
28 RCYT H6 28 RCYT H1' 3.7
28 RCYT H6 28 RCYT  H2' 4.5
28 RCYT H6 28 RCYT H3' 3.7
28 RCYT H6 28 RCYT H4' 4.5
28 RCYT H6 28 RCYT  H5' 5.0
28 RCYT H6 28 RCYT  Q5' 5.0
#
1     RGUA  H21   28    RCYT O2 2.00 
1     RGUA  N2    28    RCYT O2 3.00 
1       RGUA    H1      28      RCYT N3 2.00 
1       RGUA    N1      28      RCYT N3 3.00 
1       RGUA    O6      28      RCYT H41 2.00 
1       RGUA    O6      28      RCYT N4 3.00 
2       RGUA    H21     27      RCYT O2 2.00 
2       RGUA    N2      27      RCYT O2 3.00 
2       RGUA    H1      27      RCYT N3 2.00 
2       RGUA    N1      27      RCYT N3 3.00 
2       RGUA    O6      27      RCYT H41 2.00 
2       RGUA    O6      27      RCYT N4 3.00 
3       RCYT    O2      26      RGUA H21 2.00
3       RCYT    O2      26      RGUA N2 3.00
3       RCYT    N3      26      RGUA H1 2.00
3       RCYT    N3      26      RGUA N1 3.00
3       RCYT    H41     26      RGUA O6 2.00
3       RCYT    N4      26      RGUA O6 3.00
4       RCYT    O2      25      RGUA H21 2.00
4       RCYT    O2      25      RGUA N2 3.00
4       RCYT    N3      25      RGUA H1 2.00
4       RCYT    N3      25      RGUA N1 3.00
4       RCYT    H41     25      RGUA O6 2.00
4       RCYT    N4      25      RGUA O6 3.00
8       RURA    H3      21      RADE N1 2.00 
8       RURA    N3      21      RADE N1 3.00 
8       RURA    O4      21      RADE H61 2.00 
8       RURA    O4      21      RADE N6 3.00 
9       RURA    H3      20      RGUA O6 2.0
9       RURA    N3      20      RGUA O6 3.0
9       RURA    O2      20      RGUA H1 2.0
9       RURA    O2      20      RGUA N1 3.0
10      RCYT    H41     19      RGUA O6 2.00
10      RCYT    N4      19      RGUA O6 3.00
10      RCYT    N3      19      RGUA H1 2.00
10      RCYT    N3      19      RGUA N1 3.00
10      RCYT    O2      19      RGUA H21 2.00
10      RCYT    O2      19      RGUA N2 3.00
11      RURA    H3      18      RADE N1 2.00 
11      RURA    N3      18      RADE N1 3.00 
11      RURA    O4      18      RADE H61 2.00 
11      RURA    O4      18      RADE N6 3.00 
12      RCYT    O2      17      RGUA H21 2.00
12      RCYT    O2      17      RGUA N2 3.00
12      RCYT    N3      17      RGUA H1 2.00
12      RCYT    N3      17      RGUA N1 3.00
12      RCYT    H41     17      RGUA O6 2.00
12      RCYT    N4      17      RGUA O6 3.00
16      RGUA    H1      13      RURA O2 2.0
16      RGUA    N1      13      RURA O2 3.0
16      RGUA    H21     13      RURA O2 2.0
16      RGUA    N2      13      RURA O2 3.0
22      RURA    H3      7       RCYT N3 2.0 
22      RURA    N3      7       RCYT N3 3.00 
22      RURA    O4      7       RCYT H41 2.0
22      RURA    O4      7       RCYT N4 3.0
#
23      RURA    H3      6       RURA O2 2.0
23      RURA    N3      6       RURA O2 3.0
23      RURA    O4      6       RURA H3 2.0
23      RURA    O4      6       RURA N3 3.0
#
24      RURA    H3      5       RADE N1 2.00 
24      RURA    N3      5       RADE N1 3.00 
24      RURA    O4      5       RADE H61 2.00 
24      RURA    O4      5       RADE N6 3.00 
#
#

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   6.240 -13.991   8.142
    2   2H5*    G   1          2H5*        G   1   6.327 -12.309   7.576
    3    H4*    G   1           H4*        G   1   8.106 -13.573   6.525
    4    H3*    G   1           H3*        G   1   5.835 -12.917   4.620
    5    H2*    G   1           H2*        G   1   7.306 -13.750   2.879
    6   2HO*    G   1          2HO*        G   1   9.425 -14.431   3.424
    7    H1*    G   1           H1*        G   1   7.875 -16.033   4.213
    8    H8     G   1           H8         G   1   4.415 -15.330   5.399
    9    H1     G   1           H1         G   1   4.595 -17.331  -0.695
   10   1H2     G   1          1H2         G   1   6.679 -17.245  -1.453
   11   2H2     G   1          2H2         G   1   8.012 -16.735  -0.436
   12    H5T    G   1           H5T        G   1   4.188 -13.122   7.536
   13   1H5*    G   2          1H5*        G   2   9.366 -11.733   2.845
   14   2H5*    G   2          2H5*        G   2   9.274 -10.093   2.175
   15    H4*    G   2           H4*        G   2  10.065 -11.665   0.465
   16    H3*    G   2           H3*        G   2   7.269 -10.568   0.063
   17    H2*    G   2           H2*        G   2   7.385 -11.604  -2.168
   18   2HO*    G   2          2HO*        G   2   9.665 -11.138  -2.488
   19    H1*    G   2           H1*        G   2   8.306 -13.960  -1.214
   20    H8     G   2           H8         G   2   6.076 -12.805   1.569
   21    H1     G   2           H1         G   2   2.865 -15.072  -3.508
   22   1H2     G   2          1H2         G   2   4.230 -15.251  -5.245
   23   2H2     G   2          2H2         G   2   5.927 -14.823  -5.135
   24   1H5*    C   3          1H5*        C   3   9.393  -9.650  -3.371
   25   2H5*    C   3          2H5*        C   3   9.035  -8.027  -3.994
   26    H4*    C   3           H4*        C   3   8.520  -9.766  -5.674
   27    H3*    C   3           H3*        C   3   6.108  -8.349  -4.493
   28    H2*    C   3           H2*        C   3   4.843  -9.480  -6.256
   29   2HO*    C   3          2HO*        C   3   6.498  -9.304  -7.888
   30    H1*    C   3           H1*        C   3   6.041 -11.902  -5.749
   31   1H4     C   3          1H4         C   3   0.865 -11.789  -2.090
   32   2H4     C   3          2H4         C   3   1.799 -11.124  -0.763
   33    H5     C   3           H5         C   3   4.132 -10.418  -1.018
   34    H6     C   3           H6         C   3   5.977 -10.262  -2.570
   35   1H5*    C   4          1H5*        C   4   5.905  -7.639  -8.573
   36   2H5*    C   4          2H5*        C   4   5.346  -5.992  -8.942
   37    H4*    C   4           H4*        C   4   3.801  -7.668  -9.885
   38    H3*    C   4           H3*        C   4   2.678  -6.167  -7.495
   39    H2*    C   4           H2*        C   4   0.565  -7.191  -8.177
   40   2HO*    C   4          2HO*        C   4   0.938  -7.079 -10.475
   41    H1*    C   4           H1*        C   4   1.699  -9.661  -8.424
   42   1H4     C   4          1H4         C   4  -0.523  -9.237  -2.513
   43   2H4     C   4          2H4         C   4   0.914  -8.386  -1.974
   44    H5     C   4           H5         C   4   2.719  -7.744  -3.513
   45    H6     C   4           H6         C   4   3.429  -7.762  -5.827
   46   1H5*    A   5          1H5*        A   5   0.089  -5.544 -10.868
   47   2H5*    A   5          2H5*        A   5  -0.737  -3.976 -10.767
   48    H4*    A   5           H4*        A   5  -2.318  -5.918 -10.865
   49    H3*    A   5           H3*        A   5  -2.324  -4.307  -8.293
   50    H2*    A   5           H2*        A   5  -4.311  -5.633  -7.745
   51   2HO*    A   5          2HO*        A   5  -5.076  -5.738  -9.993
   52    H1*    A   5           H1*        A   5  -3.079  -7.978  -8.346
   53    H8     A   5           H8         A   5  -0.286  -5.871  -6.983
   54   1H6     A   5          1H6         A   5  -2.740  -7.089  -1.381
   55   2H6     A   5          2H6         A   5  -1.337  -6.426  -2.201
   56    H2     A   5           H2         A   5  -5.661  -8.289  -4.472
   57   1H5*    U   6          1H5*        U   6  -6.243  -4.741  -8.978
   58   2H5*    U   6          2H5*        U   6  -7.068  -3.171  -8.952
   59    H4*    U   6           H4*        U   6  -8.131  -4.715  -7.372
   60    H3*    U   6           H3*        U   6  -6.566  -2.469  -6.070
   61    H2*    U   6           H2*        U   6  -7.693  -3.181  -4.021
   62   2HO*    U   6          2HO*        U   6  -9.726  -3.721  -5.074
   63    H1*    U   6           H1*        U   6  -7.144  -5.823  -4.462
   64    H3     U   6           H3         U   6  -4.315  -4.405  -1.172
   65    H5     U   6           H5         U   6  -2.505  -3.163  -4.756
   66    H6     U   6           H6         U   6  -4.509  -3.823  -5.931
   67   1H5*    C   7          1H5*        C   7 -10.641  -2.426  -4.624
   68   2H5*    C   7          2H5*        C   7 -11.211  -0.745  -4.601
   69    H4*    C   7           H4*        C   7 -11.605  -1.819  -2.419
   70    H3*    C   7           H3*        C   7  -9.444   0.309  -2.446
   71    H2*    C   7           H2*        C   7  -9.526   0.132  -0.023
   72   2HO*    C   7          2HO*        C   7 -11.807  -0.094   0.184
   73    H1*    C   7           H1*        C   7  -9.652  -2.623  -0.049
   74   1H4     C   7          1H4         C   7  -3.516  -1.360   0.793
   75   2H4     C   7          2H4         C   7  -3.290  -1.067  -0.920
   76    H5     C   7           H5         C   7  -5.151  -1.053  -2.511
   77    H6     C   7           H6         C   7  -7.541  -1.345  -2.748
   78   1H5*    U   8          1H5*        U   8 -12.765   1.180   0.395
   79   2H5*    U   8          2H5*        U   8 -13.031   2.934   0.455
   80    H4*    U   8           H4*        U   8 -12.712   1.994   2.729
   81    H3*    U   8           H3*        U   8 -10.516   3.813   1.693
   82    H2*    U   8           H2*        U   8  -9.590   3.703   3.914
   83   2HO*    U   8          2HO*        U   8 -11.589   3.828   5.063
   84    H1*    U   8           H1*        U   8  -9.999   1.003   4.204
   85    H3     U   8           H3         U   8  -5.530   1.140   3.790
   86    H5     U   8           H5         U   8  -6.874   2.286  -0.020
   87    H6     U   8           H6         U   8  -9.135   2.281   0.838
   88   1H5*    U   9          1H5*        U   9 -10.129   7.682   4.994
   89   2H5*    U   9          2H5*        U   9  -9.128   6.860   3.782
   90    H4*    U   9           H4*        U   9  -9.440   5.975   6.691
   91    H3*    U   9           H3*        U   9  -7.345   7.557   5.197
   92    H2*    U   9           H2*        U   9  -5.672   6.549   6.651
   93   2HO*    U   9          2HO*        U   9  -7.048   6.537   8.558
   94    H1*    U   9           H1*        U   9  -6.594   4.034   6.309
   95    H3     U   9           H3         U   9  -2.921   4.573   3.586
   96    H5     U   9           H5         U   9  -6.235   5.731   1.283
   97    H6     U   9           H6         U   9  -7.589   5.642   3.275
   98   1H5*    C  10          1H5*        C  10  -6.357   7.933   9.324
   99   2H5*    C  10          2H5*        C  10  -6.016   9.633   9.699
  100    H4*    C  10           H4*        C  10  -4.138   8.216  10.404
  101    H3*    C  10           H3*        C  10  -3.579   9.990   8.005
  102    H2*    C  10           H2*        C  10  -1.259   9.309   8.300
  103   2HO*    C  10          2HO*        C  10  -1.317   9.270  10.639
  104    H1*    C  10           H1*        C  10  -1.867   6.680   8.566
  105   1H4     C  10          1H4         C  10  -0.847   7.583   2.382
  106   2H4     C  10          2H4         C  10  -2.544   7.933   2.117
  107    H5     C  10           H5         C  10  -4.149   8.136   3.967
  108    H6     C  10           H6         C  10  -4.401   8.016   6.368
  109   1H5*    U  11          1H5*        U  11  -0.675  10.656  11.174
  110   2H5*    U  11          2H5*        U  11  -0.247  12.372  11.290
  111    H4*    U  11           H4*        U  11   1.766  10.961  11.095
  112    H3*    U  11           H3*        U  11   1.181  12.719   8.688
  113    H2*    U  11           H2*        U  11   3.415  12.092   7.962
  114   2HO*    U  11          2HO*        U  11   4.327  12.082  10.142
  115    H1*    U  11           H1*        U  11   3.029   9.447   8.467
  116    H3     U  11           H3         U  11   2.753   9.965   3.937
  117    H5     U  11           H5         U  11  -1.094  10.849   5.380
  118    H6     U  11           H6         U  11  -0.200  10.814   7.620
  119   1H5*    C  12          1H5*        C  12   5.113  13.614   9.845
  120   2H5*    C  12          2H5*        C  12   5.375  15.370   9.795
  121    H4*    C  12           H4*        C  12   7.007  14.226   8.341
  122    H3*    C  12           H3*        C  12   4.848  15.811   6.920
  123    H2*    C  12           H2*        C  12   6.086  15.402   4.897
  124   2HO*    C  12          2HO*        C  12   8.193  15.711   5.951
  125    H1*    C  12           H1*        C  12   6.651  12.765   5.508
  126   1H4     C  12          1H4         C  12   1.706  12.979   1.543
  127   2H4     C  12          2H4         C  12   0.582  13.193   2.872
  128    H5     C  12           H5         C  12   1.343  13.461   5.200
  129    H6     C  12           H6         C  12   3.291  13.595   6.630
  130   1H5*    U  13          1H5*        U  13   7.635  17.177   4.750
  131   2H5*    U  13          2H5*        U  13   7.600  18.949   4.682
  132    H4*    U  13           H4*        U  13   7.220  18.046   2.444
  133    H3*    U  13           H3*        U  13   4.749  19.231   3.739
  134    H2*    U  13           H2*        U  13   3.706  18.991   1.589
  135   2HO*    U  13          2HO*        U  13   5.502  19.628   0.312
  136    H1*    U  13           H1*        U  13   4.693  16.462   1.154
  137    H3     U  13           H3         U  13   0.207  16.119   2.024
  138    H5     U  13           H5         U  13   1.983  16.615   5.798
  139    H6     U  13           H6         U  13   4.099  16.992   4.691
  140   1H5*    U  14          1H5*        U  14   6.423  23.618   0.455
  141   2H5*    U  14          2H5*        U  14   4.805  23.342  -0.209
  142    H4*    U  14           H4*        U  14   6.328  23.728  -2.025
  143    H3*    U  14           H3*        U  14   4.710  21.508  -1.999
  144    H2*    U  14           H2*        U  14   6.367  20.022  -1.168
  145   2HO*    U  14          2HO*        U  14   6.668  20.023  -4.002
  146    H1*    U  14           H1*        U  14   8.379  21.289  -3.024
  147    H3     U  14           H3         U  14  11.911  19.005  -1.418
  148    H5     U  14           H5         U  14   9.137  18.754   1.730
  149    H6     U  14           H6         U  14   7.639  20.153   0.439
  150   1H5*    C  15          1H5*        C  15   4.727  20.110  -5.053
  151   2H5*    C  15          2H5*        C  15   3.987  20.918  -6.444
  152    H4*    C  15           H4*        C  15   3.086  18.709  -6.185
  153    H3*    C  15           H3*        C  15   1.424  20.855  -6.555
  154    H2*    C  15           H2*        C  15   1.198  21.262  -4.171
  155   2HO*    C  15          2HO*        C  15  -0.904  21.147  -5.135
  156    H1*    C  15           H1*        C  15   0.630  18.294  -3.898
  157   1H4     C  15          1H4         C  15   0.689  19.869   2.276
  158   2H4     C  15          2H4         C  15   2.127  20.853   2.056
  159    H5     C  15           H5         C  15   3.120  21.277  -0.122
  160    H6     C  15           H6         C  15   2.993  20.737  -2.491
  161   1H5*    G  16          1H5*        G  16   0.184  15.083  -7.735
  162   2H5*    G  16          2H5*        G  16   0.492  16.145  -6.353
  163    H4*    G  16           H4*        G  16   2.471  16.069  -8.638
  164    H3*    G  16           H3*        G  16   2.354  14.078  -6.344
  165    H2*    G  16           H2*        G  16   4.736  13.988  -6.682
  166   2HO*    G  16          2HO*        G  16   4.503  13.949  -9.064
  167    H1*    G  16           H1*        G  16   4.864  16.732  -7.362
  168    H8     G  16           H8         G  16   6.964  16.190  -5.962
  169    H1     G  16           H1         G  16   3.477  15.882  -0.601
  170   1H2     G  16          1H2         G  16   1.365  15.888  -1.061
  171   2H2     G  16          2H2         G  16   0.748  15.891  -2.706
  172   1H5*    G  17          1H5*        G  17   5.181  12.365  -8.464
  173   2H5*    G  17          2H5*        G  17   5.021  10.600  -8.437
  174    H4*    G  17           H4*        G  17   7.102  11.293  -7.338
  175    H3*    G  17           H3*        G  17   4.987  10.182  -5.484
  176    H2*    G  17           H2*        G  17   6.747  10.232  -3.753
  177   2HO*    G  17          2HO*        G  17   8.516   9.715  -5.203
  178    H1*    G  17           H1*        G  17   7.372  12.813  -4.274
  179    H8     G  17           H8         G  17   3.744  12.612  -5.209
  180    H1     G  17           H1         G  17   4.682  12.741   1.131
  181   1H2     G  17          1H2         G  17   6.832  12.500   1.583
  182   2H2     G  17          2H2         G  17   8.029  12.267   0.322
  183   1H5*    A  18          1H5*        A  18   8.494   8.011  -4.899
  184   2H5*    A  18          2H5*        A  18   8.207   6.277  -4.654
  185    H4*    A  18           H4*        A  18   9.423   7.266  -2.737
  186    H3*    A  18           H3*        A  18   6.569   6.408  -2.186
  187    H2*    A  18           H2*        A  18   7.154   6.780   0.166
  188   2HO*    A  18          2HO*        A  18   9.366   6.076   0.028
  189    H1*    A  18           H1*        A  18   8.151   9.242  -0.332
  190    H8     A  18           H8         A  18   5.451   8.915  -2.902
  191   1H6     A  18          1H6         A  18   1.415  10.045   1.684
  192   2H6     A  18          2H6         A  18   1.598   9.873  -0.053
  193    H2     A  18           H2         A  18   5.415   9.398   3.490
  194   1H5*    G  19          1H5*        G  19   9.258   4.417   0.458
  195   2H5*    G  19          2H5*        G  19   8.707   2.792   0.910
  196    H4*    G  19           H4*        G  19   9.084   4.298   2.873
  197    H3*    G  19           H3*        G  19   6.220   3.380   2.421
  198    H2*    G  19           H2*        G  19   5.815   4.346   4.627
  199   2HO*    G  19          2HO*        G  19   7.926   3.823   5.522
  200    H1*    G  19           H1*        G  19   6.926   6.711   3.919
  201    H8     G  19           H8         G  19   5.680   5.585   0.602
  202    H1     G  19           H1         G  19   0.904   7.090   4.609
  203   1H2     G  19          1H2         G  19   1.668   7.165   6.695
  204   2H2     G  19          2H2         G  19   3.370   6.944   7.061
  205   1H5*    G  20          1H5*        G  20   7.242   2.457   6.375
  206   2H5*    G  20          2H5*        G  20   6.787   0.785   6.757
  207    H4*    G  20           H4*        G  20   5.887   2.359   8.435
  208    H3*    G  20           H3*        G  20   3.855   1.007   6.638
  209    H2*    G  20           H2*        G  20   2.186   1.944   8.158
  210   2HO*    G  20          2HO*        G  20   3.541   1.700  10.087
  211    H1*    G  20           H1*        G  20   3.259   4.424   8.064
  212    H8     G  20           H8         G  20   4.011   3.303   4.594
  213    H1     G  20           H1         G  20  -2.271   4.200   5.619
  214   1H2     G  20          1H2         G  20  -2.670   4.348   7.786
  215   2H2     G  20          2H2         G  20  -1.380   4.254   8.970
  216   1H5*    A  21          1H5*        A  21   2.506   0.429  10.592
  217   2H5*    A  21          2H5*        A  21   2.119  -1.287  10.830
  218    H4*    A  21           H4*        A  21   0.225   0.124  11.507
  219    H3*    A  21           H3*        A  21  -0.177  -1.550   9.011
  220    H2*    A  21           H2*        A  21  -2.490  -0.859   9.085
  221   2HO*    A  21          2HO*        A  21  -2.735  -0.941  11.390
  222    H1*    A  21           H1*        A  21  -1.921   1.763   9.508
  223    H8     A  21           H8         A  21   0.870   0.613   7.285
  224   1H6     A  21          1H6         A  21  -3.213   1.037   2.610
  225   2H6     A  21          2H6         A  21  -1.522   0.789   3.005
  226    H2     A  21           H2         A  21  -5.431   1.413   6.424
  227   1H5*    U  22          1H5*        U  22  -3.747  -4.876   9.592
  228   2H5*    U  22          2H5*        U  22  -3.049  -3.920   8.275
  229    H4*    U  22           H4*        U  22  -5.498  -3.093   9.903
  230    H3*    U  22           H3*        U  22  -5.116  -4.625   7.335
  231    H2*    U  22           H2*        U  22  -7.102  -3.558   6.444
  232   2HO*    U  22          2HO*        U  22  -8.209  -3.537   8.562
  233    H1*    U  22           H1*        U  22  -6.360  -1.065   7.137
  234    H3     U  22           H3         U  22  -5.464  -1.972   2.668
  235    H5     U  22           H5         U  22  -1.873  -2.518   4.783
  236    H6     U  22           H6         U  22  -3.120  -2.362   6.845
  237   1H5*    U  23          1H5*        U  23  -9.024  -4.792   7.662
  238   2H5*    U  23          2H5*        U  23  -9.644  -6.458   7.675
  239    H4*    U  23           H4*        U  23 -10.709  -5.116   5.879
  240    H3*    U  23           H3*        U  23  -8.824  -7.332   5.014
  241    H2*    U  23           H2*        U  23  -9.567  -6.903   2.778
  242   2HO*    U  23          2HO*        U  23 -11.818  -6.765   3.325
  243    H1*    U  23           H1*        U  23  -9.793  -4.115   3.157
  244    H3     U  23           H3         U  23  -6.845  -4.984  -0.252
  245    H5     U  23           H5         U  23  -4.600  -5.181   3.295
  246    H6     U  23           H6         U  23  -6.665  -5.127   4.551
  247   1H5*    U  24          1H5*        U  24 -10.372 -11.110   2.969
  248   2H5*    U  24          2H5*        U  24  -9.119  -9.853   2.934
  249    H4*    U  24           H4*        U  24 -11.457 -10.016   0.975
  250    H3*    U  24           H3*        U  24  -8.590 -10.978   0.838
  251    H2*    U  24           H2*        U  24  -8.717 -10.554  -1.566
  252   2HO*    U  24          2HO*        U  24 -10.972 -11.147  -1.803
  253    H1*    U  24           H1*        U  24  -9.643  -8.050  -1.215
  254    H3     U  24           H3         U  24  -5.107  -8.073  -2.010
  255    H5     U  24           H5         U  24  -5.524  -8.239   2.161
  256    H6     U  24           H6         U  24  -7.900  -8.566   1.856
  257   1H5*    G  25          1H5*        G  25 -10.680 -12.812  -2.397
  258   2H5*    G  25          2H5*        G  25 -10.244 -14.525  -2.527
  259    H4*    G  25           H4*        G  25  -9.953 -13.384  -4.680
  260    H3*    G  25           H3*        G  25  -7.366 -14.217  -3.327
  261    H2*    G  25           H2*        G  25  -6.329 -13.661  -5.463
  262   2HO*    G  25          2HO*        G  25  -8.106 -14.402  -6.798
  263    H1*    G  25           H1*        G  25  -7.558 -11.253  -5.612
  264    H8     G  25           H8         G  25  -7.127 -11.762  -1.921
  265    H1     G  25           H1         G  25  -1.660 -10.246  -4.917
  266   1H2     G  25          1H2         G  25  -1.930 -10.431  -7.116
  267   2H2     G  25          2H2         G  25  -3.464 -10.907  -7.817
  268   1H5*    G  26          1H5*        G  26  -7.520 -16.014  -7.172
  269   2H5*    G  26          2H5*        G  26  -6.910 -17.680  -7.141
  270    H4*    G  26           H4*        G  26  -5.706 -16.334  -8.819
  271    H3*    G  26           H3*        G  26  -4.084 -17.159  -6.410
  272    H2*    G  26           H2*        G  26  -2.162 -16.306  -7.718
  273   2HO*    G  26          2HO*        G  26  -2.512 -15.561  -9.830
  274    H1*    G  26           H1*        G  26  -3.384 -13.984  -8.289
  275    H8     G  26           H8         G  26  -4.818 -14.819  -4.922
  276    H1     G  26           H1         G  26   1.163 -12.503  -4.697
  277   1H2     G  26          1H2         G  26   2.064 -12.533  -6.725
  278   2H2     G  26          2H2         G  26   1.166 -13.091  -8.124
  279   1H5*    C  27          1H5*        C  27  -2.150 -18.578  -9.794
  280   2H5*    C  27          2H5*        C  27  -1.487 -20.219  -9.602
  281    H4*    C  27           H4*        C  27   0.311 -18.655 -10.181
  282    H3*    C  27           H3*        C  27   0.370 -19.611  -7.300
  283    H2*    C  27           H2*        C  27   2.542 -18.508  -7.190
  284   2HO*    C  27          2HO*        C  27   3.182 -19.038  -9.380
  285    H1*    C  27           H1*        C  27   1.613 -16.215  -8.315
  286   1H4     C  27          1H4         C  27   0.626 -15.508  -2.091
  287   2H4     C  27          2H4         C  27  -1.018 -16.089  -2.282
  288    H5     C  27           H5         C  27  -1.864 -16.988  -4.411
  289    H6     C  27           H6         C  27  -1.264 -17.546  -6.668
  290   1H5*    C  28          1H5*        C  28   4.142 -20.476  -8.881
  291   2H5*    C  28          2H5*        C  28   4.765 -22.046  -8.339
  292    H4*    C  28           H4*        C  28   6.320 -20.238  -7.742
  293    H3*    C  28           H3*        C  28   4.862 -21.494  -5.394
  294    H2*    C  28           H2*        C  28   6.376 -20.231  -3.996
  295   2HO*    C  28          2HO*        C  28   8.286 -20.450  -5.240
  296    H1*    C  28           H1*        C  28   6.063 -17.915  -5.420
  297   1H4     C  28          1H4         C  28   1.861 -17.985  -0.646
  298   2H4     C  28          2H4         C  28   0.669 -18.773  -1.664
  299    H5     C  28           H5         C  28   1.175 -19.513  -3.952
  300    H6     C  28           H6         C  28   2.907 -19.657  -5.631
  301    H3T    C  28           H3T        C  28   7.470 -21.841  -6.514
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   6.155 -12.677   8.768
    2   2H5*    G   1          2H5*        G   1   6.190 -11.045   8.073
    3    H4*    G   1           H4*        G   1   8.047 -12.316   7.173
    4    H3*    G   1           H3*        G   1   5.809 -11.897   5.168
    5    H2*    G   1           H2*        G   1   7.355 -12.819   3.531
    6   2HO*    G   1          2HO*        G   1   9.281 -11.851   4.518
    7    H1*    G   1           H1*        G   1   7.971 -14.960   5.055
    8    H8     G   1           H8         G   1   4.464 -14.332   6.131
    9    H1     G   1           H1         G   1   4.834 -16.727   0.189
   10   1H2     G   1          1H2         G   1   6.924 -16.596  -0.546
   11   2H2     G   1          2H2         G   1   8.216 -15.955   0.451
   12    H5T    G   1           H5T        G   1   4.087 -11.960   8.051
   13   1H5*    G   2          1H5*        G   2   9.294 -10.685   3.267
   14   2H5*    G   2          2H5*        G   2   9.085  -9.103   2.491
   15    H4*    G   2           H4*        G   2   9.922 -10.736   0.865
   16    H3*    G   2           H3*        G   2   7.048  -9.863   0.467
   17    H2*    G   2           H2*        G   2   7.211 -11.010  -1.700
   18   2HO*    G   2          2HO*        G   2   9.201 -11.903  -2.334
   19    H1*    G   2           H1*        G   2   8.301 -13.239  -0.611
   20    H8     G   2           H8         G   2   6.028 -12.067   2.123
   21    H1     G   2           H1         G   2   2.916 -14.786  -2.796
   22   1H2     G   2          1H2         G   2   4.292 -15.002  -4.528
   23   2H2     G   2          2H2         G   2   5.962 -14.477  -4.449
   24   1H5*    C   3          1H5*        C   3   9.087  -9.147  -2.974
   25   2H5*    C   3          2H5*        C   3   8.706  -7.604  -3.767
   26    H4*    C   3           H4*        C   3   8.292  -9.492  -5.292
   27    H3*    C   3           H3*        C   3   5.792  -8.089  -4.289
   28    H2*    C   3           H2*        C   3   4.626  -9.407  -5.988
   29   2HO*    C   3          2HO*        C   3   5.831 -10.716  -7.405
   30    H1*    C   3           H1*        C   3   5.902 -11.729  -5.242
   31   1H4     C   3          1H4         C   3   0.639 -11.539  -1.718
   32   2H4     C   3          2H4         C   3   1.518 -10.739  -0.430
   33    H5     C   3           H5         C   3   3.822  -9.952  -0.693
   34    H6     C   3           H6         C   3   5.698  -9.837  -2.214
   35   1H5*    C   4          1H5*        C   4   5.721  -7.866  -8.351
   36   2H5*    C   4          2H5*        C   4   5.164  -6.294  -8.972
   37    H4*    C   4           H4*        C   4   3.695  -8.083  -9.792
   38    H3*    C   4           H3*        C   4   2.426  -6.370  -7.624
   39    H2*    C   4           H2*        C   4   0.367  -7.503  -8.288
   40   2HO*    C   4          2HO*        C   4   0.827  -7.607 -10.563
   41    H1*    C   4           H1*        C   4   1.556  -9.959  -8.253
   42   1H4     C   4          1H4         C   4  -0.930  -9.154  -2.500
   43   2H4     C   4          2H4         C   4   0.461  -8.227  -1.966
   44    H5     C   4           H5         C   4   2.302  -7.627  -3.479
   45    H6     C   4           H6         C   4   3.113  -7.792  -5.755
   46   1H5*    A   5          1H5*        A   5   0.021  -6.105 -11.177
   47   2H5*    A   5          2H5*        A   5  -0.817  -4.542 -11.268
   48    H4*    A   5           H4*        A   5  -2.395  -6.479 -11.250
   49    H3*    A   5           H3*        A   5  -2.478  -4.674  -8.809
   50    H2*    A   5           H2*        A   5  -4.486  -5.943  -8.225
   51   2HO*    A   5          2HO*        A   5  -5.214  -6.200 -10.463
   52    H1*    A   5           H1*        A   5  -3.258  -8.342  -8.643
   53    H8     A   5           H8         A   5  -0.563  -6.086  -7.287
   54   1H6     A   5          1H6         A   5  -3.182  -7.136  -1.728
   55   2H6     A   5          2H6         A   5  -1.769  -6.466  -2.524
   56    H2     A   5           H2         A   5  -5.929  -8.605  -4.861
   57   1H5*    U   6          1H5*        U   6  -6.361  -4.996  -9.510
   58   2H5*    U   6          2H5*        U   6  -7.123  -3.397  -9.594
   59    H4*    U   6           H4*        U   6  -8.225  -4.748  -7.881
   60    H3*    U   6           H3*        U   6  -6.492  -2.532  -6.752
   61    H2*    U   6           H2*        U   6  -7.612  -3.048  -4.643
   62   2HO*    U   6          2HO*        U   6  -9.700  -3.520  -5.590
   63    H1*    U   6           H1*        U   6  -7.229  -5.742  -4.940
   64    H3     U   6           H3         U   6  -4.255  -4.313  -1.789
   65    H5     U   6           H5         U   6  -2.482  -3.295  -5.461
   66    H6     U   6           H6         U   6  -4.528  -3.945  -6.567
   67   1H5*    C   7          1H5*        C   7 -10.578  -2.117  -5.303
   68   2H5*    C   7          2H5*        C   7 -11.000  -0.395  -5.281
   69    H4*    C   7           H4*        C   7 -11.459  -1.440  -3.095
   70    H3*    C   7           H3*        C   7  -9.142   0.520  -3.115
   71    H2*    C   7           H2*        C   7  -9.259   0.335  -0.691
   72   2HO*    C   7          2HO*        C   7 -11.570   0.255  -0.536
   73    H1*    C   7           H1*        C   7  -9.552  -2.402  -0.741
   74   1H4     C   7          1H4         C   7  -3.346  -1.484   0.090
   75   2H4     C   7          2H4         C   7  -3.113  -1.186  -1.621
   76    H5     C   7           H5         C   7  -4.977  -1.052  -3.207
   77    H6     C   7           H6         C   7  -7.382  -1.215  -3.437
   78   1H5*    U   8          1H5*        U   8 -12.323   1.688  -0.262
   79   2H5*    U   8          2H5*        U   8 -12.396   3.456  -0.126
   80    H4*    U   8           H4*        U   8 -12.108   2.346   2.087
   81    H3*    U   8           H3*        U   8  -9.784   4.038   1.125
   82    H2*    U   8           H2*        U   8  -8.886   3.710   3.360
   83   2HO*    U   8          2HO*        U   8 -10.127   2.622   4.935
   84    H1*    U   8           H1*        U   8  -9.415   1.034   3.397
   85    H3     U   8           H3         U   8  -4.951   1.208   2.936
   86    H5     U   8           H5         U   8  -6.376   2.269  -0.872
   87    H6     U   8           H6         U   8  -8.614   2.308   0.042
   88   1H5*    U   9          1H5*        U   9 -10.813   5.085   5.070
   89   2H5*    U   9          2H5*        U   9 -10.591   6.806   5.416
   90    H4*    U   9           H4*        U   9  -9.256   5.304   6.918
   91    H3*    U   9           H3*        U   9  -7.729   7.185   5.105
   92    H2*    U   9           H2*        U   9  -5.772   6.505   6.390
   93   2HO*    U   9          2HO*        U   9  -6.830   6.389   8.454
   94    H1*    U   9           H1*        U   9  -6.390   3.851   6.306
   95    H3     U   9           H3         U   9  -2.895   4.266   3.445
   96    H5     U   9           H5         U   9  -6.167   5.787   1.295
   97    H6     U   9           H6         U   9  -7.504   5.603   3.297
   98   1H5*    C  10          1H5*        C  10  -6.697   7.665   9.410
   99   2H5*    C  10          2H5*        C  10  -6.385   9.378   9.743
  100    H4*    C  10           H4*        C  10  -4.511   7.971  10.519
  101    H3*    C  10           H3*        C  10  -3.897   9.744   8.136
  102    H2*    C  10           H2*        C  10  -1.571   9.103   8.544
  103   2HO*    C  10          2HO*        C  10  -1.763   9.060  10.882
  104    H1*    C  10           H1*        C  10  -2.159   6.466   8.776
  105   1H4     C  10          1H4         C  10  -0.981   7.281   2.603
  106   2H4     C  10          2H4         C  10  -2.627   7.811   2.315
  107    H5     C  10           H5         C  10  -4.238   8.154   4.129
  108    H6     C  10           H6         C  10  -4.554   8.029   6.524
  109   1H5*    U  11          1H5*        U  11  -1.101  10.461  11.322
  110   2H5*    U  11          2H5*        U  11  -0.656  12.173  11.438
  111    H4*    U  11           H4*        U  11   1.336  10.723  11.242
  112    H3*    U  11           H3*        U  11   0.796  12.520   8.855
  113    H2*    U  11           H2*        U  11   3.026  11.860   8.138
  114   2HO*    U  11          2HO*        U  11   3.926  11.801  10.322
  115    H1*    U  11           H1*        U  11   2.587   9.219   8.603
  116    H3     U  11           H3         U  11   2.378   9.841   4.079
  117    H5     U  11           H5         U  11  -1.480  10.717   5.492
  118    H6     U  11           H6         U  11  -0.619  10.626   7.743
  119   1H5*    C  12          1H5*        C  12   4.738  13.289  10.020
  120   2H5*    C  12          2H5*        C  12   5.052  15.035  10.007
  121    H4*    C  12           H4*        C  12   6.651  13.858   8.539
  122    H3*    C  12           H3*        C  12   4.572  15.577   7.152
  123    H2*    C  12           H2*        C  12   5.803  15.174   5.121
  124   2HO*    C  12          2HO*        C  12   7.914  15.354   6.190
  125    H1*    C  12           H1*        C  12   6.237  12.496   5.651
  126   1H4     C  12          1H4         C  12   1.291  13.069   1.716
  127   2H4     C  12          2H4         C  12   0.183  13.246   3.065
  128    H5     C  12           H5         C  12   0.959  13.376   5.394
  129    H6     C  12           H6         C  12   2.919  13.382   6.817
  130   1H5*    U  13          1H5*        U  13   7.466  16.895   5.048
  131   2H5*    U  13          2H5*        U  13   7.518  18.670   5.060
  132    H4*    U  13           H4*        U  13   7.145  17.893   2.777
  133    H3*    U  13           H3*        U  13   4.707  19.133   4.089
  134    H2*    U  13           H2*        U  13   3.691  19.051   1.912
  135   2HO*    U  13          2HO*        U  13   5.544  19.670   0.706
  136    H1*    U  13           H1*        U  13   4.578  16.507   1.359
  137    H3     U  13           H3         U  13   0.067  16.278   2.115
  138    H5     U  13           H5         U  13   1.768  16.519   5.948
  139    H6     U  13           H6         U  13   3.922  16.883   4.907
  140   1H5*    U  14          1H5*        U  14   6.647  23.597   1.072
  141   2H5*    U  14          2H5*        U  14   5.032  23.430   0.367
  142    H4*    U  14           H4*        U  14   6.608  23.837  -1.403
  143    H3*    U  14           H3*        U  14   4.886  21.695  -1.519
  144    H2*    U  14           H2*        U  14   6.456  20.089  -0.742
  145   2HO*    U  14          2HO*        U  14   6.798  20.237  -3.566
  146    H1*    U  14           H1*        U  14   8.562  21.357  -2.490
  147    H3     U  14           H3         U  14  11.954  18.831  -0.939
  148    H5     U  14           H5         U  14   9.105  18.553   2.140
  149    H6     U  14           H6         U  14   7.702  20.082   0.895
  150   1H5*    C  15          1H5*        C  15   4.870  20.474  -4.661
  151   2H5*    C  15          2H5*        C  15   4.186  21.401  -6.007
  152    H4*    C  15           H4*        C  15   3.161  19.233  -5.882
  153    H3*    C  15           H3*        C  15   1.619  21.480  -6.141
  154    H2*    C  15           H2*        C  15   1.395  21.764  -3.737
  155   2HO*    C  15          2HO*        C  15  -0.858  20.321  -4.725
  156    H1*    C  15           H1*        C  15   0.667  18.817  -3.641
  157   1H4     C  15          1H4         C  15   0.716  20.045   2.609
  158   2H4     C  15          2H4         C  15   2.209  20.963   2.459
  159    H5     C  15           H5         C  15   3.259  21.445   0.322
  160    H6     C  15           H6         C  15   3.139  21.045  -2.076
  161   1H5*    G  16          1H5*        G  16   0.072  15.840  -7.549
  162   2H5*    G  16          2H5*        G  16   0.465  16.845  -6.142
  163    H4*    G  16           H4*        G  16   2.399  16.691  -8.466
  164    H3*    G  16           H3*        G  16   2.204  14.688  -6.188
  165    H2*    G  16           H2*        G  16   4.571  14.452  -6.587
  166   2HO*    G  16          2HO*        G  16   4.299  14.478  -8.958
  167    H1*    G  16           H1*        G  16   4.867  17.189  -7.190
  168    H8     G  16           H8         G  16   6.921  16.552  -5.777
  169    H1     G  16           H1         G  16   3.367  16.133  -0.467
  170   1H2     G  16          1H2         G  16   1.262  16.231  -0.948
  171   2H2     G  16          2H2         G  16   0.663  16.332  -2.597
  172   1H5*    G  17          1H5*        G  17   4.890  12.832  -8.326
  173   2H5*    G  17          2H5*        G  17   4.647  11.077  -8.299
  174    H4*    G  17           H4*        G  17   6.769  11.697  -7.205
  175    H3*    G  17           H3*        G  17   4.630  10.603  -5.372
  176    H2*    G  17           H2*        G  17   6.394  10.576  -3.643
  177   2HO*    G  17          2HO*        G  17   8.152  10.058  -5.103
  178    H1*    G  17           H1*        G  17   7.062  13.153  -4.098
  179    H8     G  17           H8         G  17   3.447  13.133  -5.063
  180    H1     G  17           H1         G  17   4.311  12.815   1.282
  181   1H2     G  17          1H2         G  17   6.453  12.494   1.735
  182   2H2     G  17          2H2         G  17   7.654  12.311   0.472
  183   1H5*    A  18          1H5*        A  18   8.146   8.419  -4.849
  184   2H5*    A  18          2H5*        A  18   7.877   6.682  -4.622
  185    H4*    A  18           H4*        A  18   9.132   7.688  -2.725
  186    H3*    A  18           H3*        A  18   6.334   6.685  -2.137
  187    H2*    A  18           H2*        A  18   6.932   7.047   0.213
  188   2HO*    A  18          2HO*        A  18   9.180   6.456   0.014
  189    H1*    A  18           H1*        A  18   7.805   9.559  -0.240
  190    H8     A  18           H8         A  18   5.118   9.244  -2.810
  191   1H6     A  18          1H6         A  18   1.047  10.014   1.819
  192   2H6     A  18          2H6         A  18   1.235   9.933   0.075
  193    H2     A  18           H2         A  18   5.060   9.381   3.601
  194   1H5*    G  19          1H5*        G  19   9.183   4.909   0.448
  195   2H5*    G  19          2H5*        G  19   8.789   3.240   0.897
  196    H4*    G  19           H4*        G  19   9.074   4.770   2.858
  197    H3*    G  19           H3*        G  19   6.333   3.522   2.462
  198    H2*    G  19           H2*        G  19   5.822   4.444   4.654
  199   2HO*    G  19          2HO*        G  19   8.002   4.149   5.526
  200    H1*    G  19           H1*        G  19   6.683   6.921   3.983
  201    H8     G  19           H8         G  19   5.536   5.757   0.650
  202    H1     G  19           H1         G  19   0.655   6.774   4.680
  203   1H2     G  19          1H2         G  19   1.397   6.848   6.769
  204   2H2     G  19          2H2         G  19   3.106   6.743   7.144
  205   1H5*    G  20          1H5*        G  20   7.407   2.827   6.416
  206   2H5*    G  20          2H5*        G  20   7.301   1.085   6.759
  207    H4*    G  20           H4*        G  20   6.063   2.350   8.467
  208    H3*    G  20           H3*        G  20   4.439   0.712   6.504
  209    H2*    G  20           H2*        G  20   2.493   1.249   7.816
  210   2HO*    G  20          2HO*        G  20   3.510   1.003   9.884
  211    H1*    G  20           H1*        G  20   3.157   3.879   8.190
  212    H8     G  20           H8         G  20   4.104   3.194   4.617
  213    H1     G  20           H1         G  20  -2.221   3.831   5.582
  214   1H2     G  20          1H2         G  20  -2.657   3.821   7.750
  215   2H2     G  20          2H2         G  20  -1.388   3.663   8.947
  216   1H5*    A  21          1H5*        A  21   1.930  -2.854   8.815
  217   2H5*    A  21          2H5*        A  21   1.702  -1.653   7.531
  218    H4*    A  21           H4*        A  21   0.705  -1.372  10.405
  219    H3*    A  21           H3*        A  21  -0.500  -2.319   7.815
  220    H2*    A  21           H2*        A  21  -2.582  -1.216   8.348
  221   2HO*    A  21          2HO*        A  21  -2.416  -1.647  10.681
  222    H1*    A  21           H1*        A  21  -1.463   1.144   8.910
  223    H8     A  21           H8         A  21   1.163   0.067   6.576
  224   1H6     A  21          1H6         A  21  -2.855   0.997   1.930
  225   2H6     A  21          2H6         A  21  -1.180   0.671   2.327
  226    H2     A  21           H2         A  21  -5.108   1.100   5.755
  227   1H5*    U  22          1H5*        U  22  -3.664  -2.728   9.860
  228   2H5*    U  22          2H5*        U  22  -4.281  -4.391   9.864
  229    H4*    U  22           H4*        U  22  -5.999  -2.836   9.042
  230    H3*    U  22           H3*        U  22  -4.819  -4.650   6.916
  231    H2*    U  22           H2*        U  22  -6.725  -3.894   5.580
  232   2HO*    U  22          2HO*        U  22  -8.221  -3.820   7.403
  233    H1*    U  22           H1*        U  22  -6.331  -1.267   6.281
  234    H3     U  22           H3         U  22  -5.144  -1.901   1.904
  235    H5     U  22           H5         U  22  -1.708  -2.824   4.142
  236    H6     U  22           H6         U  22  -3.046  -2.715   6.152
  237   1H5*    U  23          1H5*        U  23  -9.024  -5.182   7.011
  238   2H5*    U  23          2H5*        U  23  -9.404  -6.913   6.950
  239    H4*    U  23           H4*        U  23 -10.661  -5.692   5.219
  240    H3*    U  23           H3*        U  23  -8.438  -7.477   4.178
  241    H2*    U  23           H2*        U  23  -9.463  -7.107   2.007
  242   2HO*    U  23          2HO*        U  23 -11.667  -7.221   2.825
  243    H1*    U  23           H1*        U  23  -9.868  -4.403   2.492
  244    H3     U  23           H3         U  23  -6.795  -4.812  -0.847
  245    H5     U  23           H5         U  23  -4.607  -5.258   2.712
  246    H6     U  23           H6         U  23  -6.697  -5.374   3.924
  247   1H5*    U  24          1H5*        U  24 -11.946  -8.942   2.253
  248   2H5*    U  24          2H5*        U  24 -11.888 -10.716   2.284
  249    H4*    U  24           H4*        U  24 -12.095  -9.965  -0.027
  250    H3*    U  24           H3*        U  24  -9.308 -10.960   0.650
  251    H2*    U  24           H2*        U  24  -8.955 -10.896  -1.763
  252   2HO*    U  24          2HO*        U  24 -11.101 -11.582  -2.365
  253    H1*    U  24           H1*        U  24 -10.029  -8.400  -1.986
  254    H3     U  24           H3         U  24  -5.592  -7.699  -2.385
  255    H5     U  24           H5         U  24  -6.071  -8.584   1.689
  256    H6     U  24           H6         U  24  -8.407  -9.038   1.258
  257   1H5*    G  25          1H5*        G  25 -10.975 -13.312  -2.623
  258   2H5*    G  25          2H5*        G  25 -10.443 -14.997  -2.481
  259    H4*    G  25           H4*        G  25  -9.991 -14.122  -4.722
  260    H3*    G  25           H3*        G  25  -7.494 -14.603  -3.059
  261    H2*    G  25           H2*        G  25  -6.318 -14.292  -5.163
  262   2HO*    G  25          2HO*        G  25  -8.927 -14.123  -6.331
  263    H1*    G  25           H1*        G  25  -7.654 -12.004  -5.744
  264    H8     G  25           H8         G  25  -7.411 -12.112  -1.987
  265    H1     G  25           H1         G  25  -1.938 -10.395  -4.865
  266   1H2     G  25          1H2         G  25  -2.086 -10.782  -7.048
  267   2H2     G  25          2H2         G  25  -3.539 -11.443  -7.772
  268   1H5*    G  26          1H5*        G  26  -7.309 -16.785  -6.614
  269   2H5*    G  26          2H5*        G  26  -6.594 -18.397  -6.424
  270    H4*    G  26           H4*        G  26  -5.411 -17.112  -8.161
  271    H3*    G  26           H3*        G  26  -3.832 -17.611  -5.635
  272    H2*    G  26           H2*        G  26  -1.925 -16.730  -6.959
  273   2HO*    G  26          2HO*        G  26  -2.601 -17.661  -8.986
  274    H1*    G  26           H1*        G  26  -3.293 -14.564  -7.763
  275    H8     G  26           H8         G  26  -4.769 -15.222  -4.369
  276    H1     G  26           H1         G  26   1.009 -12.430  -4.208
  277   1H2     G  26          1H2         G  26   1.967 -12.561  -6.208
  278   2H2     G  26          2H2         G  26   1.154 -13.303  -7.570
  279   1H5*    C  27          1H5*        C  27  -1.688 -19.289  -8.858
  280   2H5*    C  27          2H5*        C  27  -0.911 -20.832  -8.434
  281    H4*    C  27           H4*        C  27   0.768 -19.186  -9.178
  282    H3*    C  27           H3*        C  27   0.844 -19.838  -6.214
  283    H2*    C  27           H2*        C  27   2.921 -18.560  -6.198
  284   2HO*    C  27          2HO*        C  27   3.641 -19.257  -8.316
  285    H1*    C  27           H1*        C  27   1.840 -16.473  -7.566
  286   1H4     C  27          1H4         C  27   0.732 -15.225  -1.443
  287   2H4     C  27          2H4         C  27  -0.866 -15.932  -1.587
  288    H5     C  27           H5         C  27  -1.624 -17.094  -3.622
  289    H6     C  27           H6         C  27  -0.960 -17.825  -5.812
  290   1H5*    C  28          1H5*        C  28   4.705 -20.595  -7.676
  291   2H5*    C  28          2H5*        C  28   5.426 -22.051  -6.964
  292    H4*    C  28           H4*        C  28   6.846 -20.086  -6.551
  293    H3*    C  28           H3*        C  28   5.448 -21.196  -4.099
  294    H2*    C  28           H2*        C  28   6.864 -19.692  -2.835
  295   2HO*    C  28          2HO*        C  28   8.763 -19.968  -4.173
  296    H1*    C  28           H1*        C  28   6.386 -17.558  -4.474
  297   1H4     C  28          1H4         C  28   2.131 -17.490   0.252
  298   2H4     C  28          2H4         C  28   1.008 -18.438  -0.707
  299    H5     C  28           H5         C  28   1.600 -19.349  -2.909
  300    H6     C  28           H6         C  28   3.365 -19.527  -4.550
  301    H3T    C  28           H3T        C  28   7.520 -22.167  -3.847
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   6.162 -16.450   8.129
    2   2H5*    G   1          2H5*        G   1   6.307 -14.709   7.818
    3    H4*    G   1           H4*        G   1   7.996 -15.868   6.529
    4    H3*    G   1           H3*        G   1   5.704 -14.858   4.820
    5    H2*    G   1           H2*        G   1   7.095 -15.475   2.927
    6   2HO*    G   1          2HO*        G   1   9.196 -16.292   3.288
    7    H1*    G   1           H1*        G   1   7.608 -17.948   3.897
    8    H8     G   1           H8         G   1   4.205 -17.273   5.258
    9    H1     G   1           H1         G   1   4.182 -18.430  -1.056
   10   1H2     G   1          1H2         G   1   6.259 -18.348  -1.842
   11   2H2     G   1          2H2         G   1   7.630 -18.044  -0.793
   12    H5T    G   1           H5T        G   1   4.130 -15.434   7.734
   13   1H5*    G   2          1H5*        G   2   9.251 -13.534   3.149
   14   2H5*    G   2          2H5*        G   2   9.192 -11.826   2.670
   15    H4*    G   2           H4*        G   2   9.903 -13.230   0.783
   16    H3*    G   2           H3*        G   2   7.148 -11.991   0.548
   17    H2*    G   2           H2*        G   2   7.206 -12.771  -1.778
   18   2HO*    G   2          2HO*        G   2   9.087 -13.758  -2.576
   19    H1*    G   2           H1*        G   2   8.013 -15.261  -1.097
   20    H8     G   2           H8         G   2   5.878 -14.291   1.825
   21    H1     G   2           H1         G   2   2.489 -15.750  -3.428
   22   1H2     G   2          1H2         G   2   3.828 -15.832  -5.195
   23   2H2     G   2          2H2         G   2   5.550 -15.540  -5.058
   24   1H5*    C   3          1H5*        C   3   9.297 -10.975  -2.777
   25   2H5*    C   3          2H5*        C   3   9.076  -9.302  -3.326
   26    H4*    C   3           H4*        C   3   8.494 -10.918  -5.103
   27    H3*    C   3           H3*        C   3   6.152  -9.367  -3.949
   28    H2*    C   3           H2*        C   3   4.874 -10.333  -5.802
   29   2HO*    C   3          2HO*        C   3   6.630 -10.242  -7.351
   30    H1*    C   3           H1*        C   3   5.821 -12.856  -5.334
   31   1H4     C   3          1H4         C   3   0.620 -12.370  -1.736
   32   2H4     C   3          2H4         C   3   1.599 -11.865  -0.372
   33    H5     C   3           H5         C   3   3.995 -11.395  -0.569
   34    H6     C   3           H6         C   3   5.868 -11.356  -2.092
   35   1H5*    C   4          1H5*        C   4   6.201  -8.691  -8.011
   36   2H5*    C   4          2H5*        C   4   5.795  -7.017  -8.455
   37    H4*    C   4           H4*        C   4   4.217  -8.632  -9.469
   38    H3*    C   4           H3*        C   4   3.049  -6.852  -7.297
   39    H2*    C   4           H2*        C   4   0.915  -7.736  -7.991
   40   2HO*    C   4          2HO*        C   4   1.336  -7.766 -10.259
   41    H1*    C   4           H1*        C   4   1.822 -10.331  -8.107
   42   1H4     C   4          1H4         C   4  -0.605  -9.691  -2.296
   43   2H4     C   4          2H4         C   4   0.903  -9.021  -1.701
   44    H5     C   4           H5         C   4   2.803  -8.535  -3.167
   45    H6     C   4           H6         C   4   3.590  -8.596  -5.451
   46   1H5*    A   5          1H5*        A   5  -0.460  -3.897  -9.406
   47   2H5*    A   5          2H5*        A   5  -0.159  -4.825  -7.919
   48    H4*    A   5           H4*        A   5  -1.727  -5.822 -10.342
   49    H3*    A   5           H3*        A   5  -2.452  -4.593  -7.697
   50    H2*    A   5           H2*        A   5  -4.228  -6.179  -7.358
   51   2HO*    A   5          2HO*        A   5  -4.850  -6.232  -9.650
   52    H1*    A   5           H1*        A   5  -2.783  -8.358  -7.928
   53    H8     A   5           H8         A   5   0.067  -6.444  -6.581
   54   1H6     A   5          1H6         A   5  -2.511  -7.230  -0.953
   55   2H6     A   5          2H6         A   5  -1.055  -6.708  -1.784
   56    H2     A   5           H2         A   5  -5.507  -8.303  -4.009
   57   1H5*    U   6          1H5*        U   6  -6.082  -5.210  -8.515
   58   2H5*    U   6          2H5*        U   6  -7.031  -3.710  -8.561
   59    H4*    U   6           H4*        U   6  -7.959  -5.205  -6.865
   60    H3*    U   6           H3*        U   6  -6.452  -2.835  -5.723
   61    H2*    U   6           H2*        U   6  -7.453  -3.495  -3.600
   62   2HO*    U   6          2HO*        U   6  -8.930  -5.233  -3.545
   63    H1*    U   6           H1*        U   6  -6.775  -6.131  -3.950
   64    H3     U   6           H3         U   6  -3.907  -4.353  -0.863
   65    H5     U   6           H5         U   6  -2.256  -3.366  -4.599
   66    H6     U   6           H6         U   6  -4.286  -4.155  -5.643
   67   1H5*    C   7          1H5*        C   7 -10.376  -2.959  -4.095
   68   2H5*    C   7          2H5*        C   7 -11.089  -1.333  -4.138
   69    H4*    C   7           H4*        C   7 -11.317  -2.265  -1.890
   70    H3*    C   7           H3*        C   7  -9.233  -0.071  -2.114
   71    H2*    C   7           H2*        C   7  -9.240  -0.108   0.313
   72   2HO*    C   7          2HO*        C   7 -11.505  -0.398   0.603
   73    H1*    C   7           H1*        C   7  -9.266  -2.869   0.436
   74   1H4     C   7          1H4         C   7  -3.167  -1.301   1.042
   75   2H4     C   7          2H4         C   7  -2.994  -1.131  -0.693
   76    H5     C   7           H5         C   7  -4.890  -1.297  -2.230
   77    H6     C   7           H6         C   7  -7.271  -1.694  -2.387
   78   1H5*    U   8          1H5*        U   8 -12.483   0.967   0.756
   79   2H5*    U   8          2H5*        U   8 -12.751   2.722   0.704
   80    H4*    U   8           H4*        U   8 -12.355   1.948   3.020
   81    H3*    U   8           H3*        U   8 -10.162   3.662   1.811
   82    H2*    U   8           H2*        U   8  -9.231   3.698   4.057
   83   2HO*    U   8          2HO*        U   8 -11.359   3.795   5.109
   84    H1*    U   8           H1*        U   8  -9.597   1.028   4.476
   85    H3     U   8           H3         U   8  -5.156   1.171   3.938
   86    H5     U   8           H5         U   8  -6.597   2.073   0.099
   87    H6     U   8           H6         U   8  -8.838   2.082   1.008
   88   1H5*    U   9          1H5*        U   9 -11.199   5.270   5.578
   89   2H5*    U   9          2H5*        U   9 -11.057   7.033   5.601
   90    H4*    U   9           H4*        U   9  -9.597   5.895   7.293
   91    H3*    U   9           H3*        U   9  -8.189   7.432   5.095
   92    H2*    U   9           H2*        U   9  -6.199   7.110   6.479
   93   2HO*    U   9          2HO*        U   9  -6.381   6.128   8.513
   94    H1*    U   9           H1*        U   9  -6.702   4.449   6.849
   95    H3     U   9           H3         U   9  -3.276   4.649   3.862
   96    H5     U   9           H5         U   9  -6.700   5.489   1.578
   97    H6     U   9           H6         U   9  -7.984   5.553   3.624
   98   1H5*    C  10          1H5*        C  10  -7.123   8.681   9.100
   99   2H5*    C  10          2H5*        C  10  -6.875  10.433   9.196
  100    H4*    C  10           H4*        C  10  -4.965   9.218  10.161
  101    H3*    C  10           H3*        C  10  -4.369  10.655   7.555
  102    H2*    C  10           H2*        C  10  -2.041  10.162   8.087
  103   2HO*    C  10          2HO*        C  10  -1.512   9.166  10.054
  104    H1*    C  10           H1*        C  10  -2.549   7.560   8.668
  105   1H4     C  10          1H4         C  10  -1.265   7.680   2.457
  106   2H4     C  10          2H4         C  10  -2.943   8.011   2.082
  107    H5     C  10           H5         C  10  -4.622   8.444   3.816
  108    H6     C  10           H6         C  10  -4.983   8.618   6.202
  109   1H5*    U  11          1H5*        U  11  -1.749  11.798  10.712
  110   2H5*    U  11          2H5*        U  11  -1.310  13.514  10.690
  111    H4*    U  11           H4*        U  11   0.689  12.062  10.766
  112    H3*    U  11           H3*        U  11   0.308  13.618   8.185
  113    H2*    U  11           H2*        U  11   2.572  12.885   7.670
  114   2HO*    U  11          2HO*        U  11   3.328  13.034   9.906
  115    H1*    U  11           H1*        U  11   2.088  10.303   8.344
  116    H3     U  11           H3         U  11   2.097  10.537   3.773
  117    H5     U  11           H5         U  11  -1.834  11.473   4.932
  118    H6     U  11           H6         U  11  -1.071  11.603   7.214
  119   1H5*    C  12          1H5*        C  12   4.180  14.456   9.537
  120   2H5*    C  12          2H5*        C  12   4.539  16.187   9.360
  121    H4*    C  12           H4*        C  12   6.198  14.814   8.136
  122    H3*    C  12           H3*        C  12   4.279  16.451   6.452
  123    H2*    C  12           H2*        C  12   5.628  15.811   4.558
  124   2HO*    C  12          2HO*        C  12   7.666  16.021   5.758
  125    H1*    C  12           H1*        C  12   5.915  13.187   5.356
  126   1H4     C  12          1H4         C  12   1.227  13.522   1.097
  127   2H4     C  12          2H4         C  12   0.052  13.872   2.353
  128    H5     C  12           H5         C  12   0.700  14.211   4.700
  129    H6     C  12           H6         C  12   2.573  14.295   6.230
  130   1H5*    U  13          1H5*        U  13   7.399  17.442   4.453
  131   2H5*    U  13          2H5*        U  13   7.504  19.204   4.261
  132    H4*    U  13           H4*        U  13   7.272  18.150   2.068
  133    H3*    U  13           H3*        U  13   4.783  19.611   3.004
  134    H2*    U  13           H2*        U  13   4.010  19.313   0.731
  135   2HO*    U  13          2HO*        U  13   5.441  18.278  -0.790
  136    H1*    U  13           H1*        U  13   4.746  16.675   0.641
  137    H3     U  13           H3         U  13   0.186  16.820   1.036
  138    H5     U  13           H5         U  13   1.617  17.451   4.936
  139    H6     U  13           H6         U  13   3.858  17.561   4.035
  140   1H5*    U  14          1H5*        U  14   7.058  23.756  -0.186
  141   2H5*    U  14          2H5*        U  14   5.440  23.630  -0.896
  142    H4*    U  14           H4*        U  14   7.024  23.818  -2.686
  143    H3*    U  14           H3*        U  14   5.226  21.766  -2.662
  144    H2*    U  14           H2*        U  14   6.683  20.196  -1.625
  145   2HO*    U  14          2HO*        U  14   5.982  19.279  -3.625
  146    H1*    U  14           H1*        U  14   8.893  21.088  -3.469
  147    H3     U  14           H3         U  14  12.179  18.744  -1.476
  148    H5     U  14           H5         U  14   9.191  18.860   1.479
  149    H6     U  14           H6         U  14   7.869  20.250   0.003
  150   1H5*    C  15          1H5*        C  15   5.324  20.178  -5.720
  151   2H5*    C  15          2H5*        C  15   4.696  20.994  -7.163
  152    H4*    C  15           H4*        C  15   3.618  18.863  -6.879
  153    H3*    C  15           H3*        C  15   2.134  21.114  -7.369
  154    H2*    C  15           H2*        C  15   1.856  21.610  -5.004
  155   2HO*    C  15          2HO*        C  15  -0.404  20.120  -5.913
  156    H1*    C  15           H1*        C  15   1.070  18.694  -4.681
  157   1H4     C  15          1H4         C  15   0.982  20.426   1.448
  158   2H4     C  15          2H4         C  15   2.497  21.298   1.266
  159    H5     C  15           H5         C  15   3.613  21.584  -0.873
  160    H6     C  15           H6         C  15   3.545  20.994  -3.236
  161   1H5*    G  16          1H5*        G  16   0.480  15.420  -8.360
  162   2H5*    G  16          2H5*        G  16   0.887  16.518  -7.032
  163    H4*    G  16           H4*        G  16   2.829  16.118  -9.323
  164    H3*    G  16           H3*        G  16   2.581  14.347  -6.865
  165    H2*    G  16           H2*        G  16   4.944  14.015  -7.239
  166   2HO*    G  16          2HO*        G  16   4.681  13.846  -9.600
  167    H1*    G  16           H1*        G  16   5.322  16.681  -8.045
  168    H8     G  16           H8         G  16   7.314  16.114  -6.510
  169    H1     G  16           H1         G  16   3.576  16.249  -1.314
  170   1H2     G  16          1H2         G  16   1.493  16.348  -1.872
  171   2H2     G  16          2H2         G  16   0.950  16.304  -3.542
  172   1H5*    G  17          1H5*        G  17   5.244  12.264  -8.686
  173   2H5*    G  17          2H5*        G  17   4.969  10.523  -8.510
  174    H4*    G  17           H4*        G  17   7.046  11.218  -7.377
  175    H3*    G  17           H3*        G  17   4.808  10.326  -5.556
  176    H2*    G  17           H2*        G  17   6.486  10.436  -3.751
  177   2HO*    G  17          2HO*        G  17   8.626  11.013  -4.268
  178    H1*    G  17           H1*        G  17   7.223  12.952  -4.409
  179    H8     G  17           H8         G  17   3.657  12.885  -5.536
  180    H1     G  17           H1         G  17   4.220  13.144   0.845
  181   1H2     G  17          1H2         G  17   6.333  12.852   1.431
  182   2H2     G  17          2H2         G  17   7.591  12.548   0.250
  183   1H5*    A  18          1H5*        A  18   8.269   8.284  -4.676
  184   2H5*    A  18          2H5*        A  18   8.054   6.561  -4.307
  185    H4*    A  18           H4*        A  18   9.200   7.749  -2.457
  186    H3*    A  18           H3*        A  18   6.393   6.757  -1.893
  187    H2*    A  18           H2*        A  18   6.876   7.341   0.436
  188   2HO*    A  18          2HO*        A  18   9.139   6.762   0.389
  189    H1*    A  18           H1*        A  18   7.747   9.814  -0.204
  190    H8     A  18           H8         A  18   5.176   9.195  -2.848
  191   1H6     A  18          1H6         A  18   0.901  10.418   1.483
  192   2H6     A  18          2H6         A  18   1.172  10.156  -0.230
  193    H2     A  18           H2         A  18   4.837  10.031   3.500
  194   1H5*    G  19          1H5*        G  19   9.094   5.219   0.999
  195   2H5*    G  19          2H5*        G  19   8.659   3.588   1.541
  196    H4*    G  19           H4*        G  19   8.784   5.236   3.418
  197    H3*    G  19           H3*        G  19   6.007   4.199   2.801
  198    H2*    G  19           H2*        G  19   5.384   5.144   4.935
  199   2HO*    G  19          2HO*        G  19   7.391   4.903   6.091
  200    H1*    G  19           H1*        G  19   6.398   7.535   4.162
  201    H8     G  19           H8         G  19   5.413   6.113   0.865
  202    H1     G  19           H1         G  19   0.346   7.537   4.530
  203   1H2     G  19          1H2         G  19   0.996   7.824   6.638
  204   2H2     G  19          2H2         G  19   2.686   7.748   7.092
  205   1H5*    G  20          1H5*        G  20   6.555   1.384   7.070
  206   2H5*    G  20          2H5*        G  20   5.631   2.216   5.804
  207    H4*    G  20           H4*        G  20   5.875   3.181   8.690
  208    H3*    G  20           H3*        G  20   3.763   1.639   7.154
  209    H2*    G  20           H2*        G  20   2.131   2.671   8.631
  210   2HO*    G  20          2HO*        G  20   2.847   4.012  10.336
  211    H1*    G  20           H1*        G  20   3.180   5.162   8.317
  212    H8     G  20           H8         G  20   3.769   3.896   4.896
  213    H1     G  20           H1         G  20  -2.490   4.656   6.144
  214   1H2     G  20          1H2         G  20  -2.802   4.908   8.321
  215   2H2     G  20          2H2         G  20  -1.463   4.915   9.451
  216   1H5*    A  21          1H5*        A  21   2.500   1.333  11.030
  217   2H5*    A  21          2H5*        A  21   2.240  -0.370  11.456
  218    H4*    A  21           H4*        A  21   0.227   0.898  11.980
  219    H3*    A  21           H3*        A  21   0.009  -0.940   9.575
  220    H2*    A  21           H2*        A  21  -2.337  -0.408   9.524
  221   2HO*    A  21          2HO*        A  21  -2.658  -0.394  11.823
  222    H1*    A  21           H1*        A  21  -1.976   2.270   9.830
  223    H8     A  21           H8         A  21   0.976   1.197   7.774
  224   1H6     A  21          1H6         A  21  -2.934   1.267   2.927
  225   2H6     A  21          2H6         A  21  -1.251   1.127   3.395
  226    H2     A  21           H2         A  21  -5.314   1.644   6.644
  227   1H5*    U  22          1H5*        U  22  -3.031  -4.559   9.954
  228   2H5*    U  22          2H5*        U  22  -2.401  -3.425   8.744
  229    H4*    U  22           H4*        U  22  -5.062  -3.067  10.201
  230    H3*    U  22           H3*        U  22  -4.314  -4.398   7.592
  231    H2*    U  22           H2*        U  22  -6.477  -3.674   6.737
  232   2HO*    U  22          2HO*        U  22  -7.586  -3.903   8.828
  233    H1*    U  22           H1*        U  22  -6.107  -1.111   7.505
  234    H3     U  22           H3         U  22  -5.078  -1.826   3.020
  235    H5     U  22           H5         U  22  -1.456  -1.992   5.146
  236    H6     U  22           H6         U  22  -2.718  -1.991   7.204
  237   1H5*    U  23          1H5*        U  23  -8.215  -5.329   8.034
  238   2H5*    U  23          2H5*        U  23  -8.490  -7.081   7.912
  239    H4*    U  23           H4*        U  23  -9.945  -5.842   6.346
  240    H3*    U  23           H3*        U  23  -7.733  -7.476   5.060
  241    H2*    U  23           H2*        U  23  -8.940  -7.051   2.988
  242   2HO*    U  23          2HO*        U  23 -11.076  -7.228   3.950
  243    H1*    U  23           H1*        U  23  -9.304  -4.380   3.572
  244    H3     U  23           H3         U  23  -6.293  -5.045   0.144
  245    H5     U  23           H5         U  23  -4.034  -4.941   3.686
  246    H6     U  23           H6         U  23  -6.091  -5.040   4.946
  247   1H5*    U  24          1H5*        U  24 -11.273  -8.903   3.303
  248   2H5*    U  24          2H5*        U  24 -11.219 -10.674   3.184
  249    H4*    U  24           H4*        U  24 -11.567  -9.674   0.963
  250    H3*    U  24           H3*        U  24  -8.813 -10.886   1.360
  251    H2*    U  24           H2*        U  24  -8.592 -10.587  -1.053
  252   2HO*    U  24          2HO*        U  24 -10.794 -11.077  -1.605
  253    H1*    U  24           H1*        U  24  -9.503  -8.027  -0.964
  254    H3     U  24           H3         U  24  -5.023  -7.797  -1.594
  255    H5     U  24           H5         U  24  -5.431  -8.541   2.512
  256    H6     U  24           H6         U  24  -7.804  -8.843   2.164
  257   1H5*    G  25          1H5*        G  25 -10.918 -12.698  -2.047
  258   2H5*    G  25          2H5*        G  25 -10.517 -14.421  -2.164
  259    H4*    G  25           H4*        G  25 -10.196 -13.251  -4.318
  260    H3*    G  25           H3*        G  25  -7.651 -14.244  -2.995
  261    H2*    G  25           H2*        G  25  -6.613 -13.726  -5.140
  262   2HO*    G  25          2HO*        G  25  -7.900 -12.981  -6.862
  263    H1*    G  25           H1*        G  25  -7.700 -11.245  -5.239
  264    H8     G  25           H8         G  25  -7.236 -11.906  -1.573
  265    H1     G  25           H1         G  25  -1.751 -10.542  -4.606
  266   1H2     G  25          1H2         G  25  -2.055 -10.644  -6.800
  267   2H2     G  25          2H2         G  25  -3.622 -11.002  -7.499
  268   1H5*    G  26          1H5*        G  26  -7.986 -15.799  -6.871
  269   2H5*    G  26          2H5*        G  26  -7.459 -17.488  -7.015
  270    H4*    G  26           H4*        G  26  -6.264 -16.048  -8.622
  271    H3*    G  26           H3*        G  26  -4.586 -17.184  -6.383
  272    H2*    G  26           H2*        G  26  -2.674 -16.279  -7.669
  273   2HO*    G  26          2HO*        G  26  -3.058 -15.308  -9.678
  274    H1*    G  26           H1*        G  26  -3.793 -13.859  -7.947
  275    H8     G  26           H8         G  26  -5.187 -14.971  -4.646
  276    H1     G  26           H1         G  26   0.917 -13.022  -4.348
  277   1H2     G  26          1H2         G  26   1.783 -12.928  -6.387
  278   2H2     G  26          2H2         G  26   0.828 -13.289  -7.814
  279   1H5*    C  27          1H5*        C  27  -2.828 -18.248  -9.982
  280   2H5*    C  27          2H5*        C  27  -2.219 -19.918 -10.022
  281    H4*    C  27           H4*        C  27  -0.387 -18.345 -10.479
  282    H3*    C  27           H3*        C  27  -0.260 -19.689  -7.760
  283    H2*    C  27           H2*        C  27   1.950 -18.680  -7.575
  284   2HO*    C  27          2HO*        C  27   2.498 -18.925  -9.844
  285    H1*    C  27           H1*        C  27   1.083 -16.224  -8.356
  286   1H4     C  27          1H4         C  27   0.294 -16.239  -2.066
  287   2H4     C  27          2H4         C  27  -1.377 -16.729  -2.278
  288    H5     C  27           H5         C  27  -2.313 -17.341  -4.466
  289    H6     C  27           H6         C  27  -1.794 -17.646  -6.790
  290   1H5*    C  28          1H5*        C  28   3.430 -20.468  -9.573
  291   2H5*    C  28          2H5*        C  28   3.991 -22.123  -9.272
  292    H4*    C  28           H4*        C  28   5.649 -20.493  -8.473
  293    H3*    C  28           H3*        C  28   4.174 -21.977  -6.270
  294    H2*    C  28           H2*        C  28   5.796 -20.986  -4.776
  295   2HO*    C  28          2HO*        C  28   7.606 -21.173  -6.251
  296    H1*    C  28           H1*        C  28   5.556 -18.488  -5.864
  297   1H4     C  28          1H4         C  28   1.451 -18.981  -1.033
  298   2H4     C  28          2H4         C  28   0.204 -19.575  -2.114
  299    H5     C  28           H5         C  28   0.630 -20.041  -4.487
  300    H6     C  28           H6         C  28   2.319 -20.048  -6.215
  301    H3T    C  28           H3T        C  28   5.434 -23.272  -7.691
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   5.807 -17.540   8.091
    2   2H5*    G   1          2H5*        G   1   6.066 -15.803   7.845
    3    H4*    G   1           H4*        G   1   7.664 -17.020   6.497
    4    H3*    G   1           H3*        G   1   5.431 -15.785   4.856
    5    H2*    G   1           H2*        G   1   6.753 -16.428   2.919
    6   2HO*    G   1          2HO*        G   1   8.843 -16.031   3.955
    7    H1*    G   1           H1*        G   1   7.099 -18.964   3.779
    8    H8     G   1           H8         G   1   3.773 -18.146   5.245
    9    H1     G   1           H1         G   1   3.549 -18.926  -1.119
   10   1H2     G   1          1H2         G   1   5.613 -18.923  -1.948
   11   2H2     G   1          2H2         G   1   7.021 -18.771  -0.916
   12    H5T    G   1           H5T        G   1   3.849 -16.367   7.753
   13   1H5*    G   2          1H5*        G   2   9.017 -14.543   3.120
   14   2H5*    G   2          2H5*        G   2   8.988 -12.812   2.735
   15    H4*    G   2           H4*        G   2   9.566 -14.141   0.749
   16    H3*    G   2           H3*        G   2   6.853 -12.793   0.689
   17    H2*    G   2           H2*        G   2   6.824 -13.433  -1.682
   18   2HO*    G   2          2HO*        G   2   8.644 -14.450  -2.582
   19    H1*    G   2           H1*        G   2   7.540 -15.989  -1.161
   20    H8     G   2           H8         G   2   5.542 -15.129   1.881
   21    H1     G   2           H1         G   2   1.922 -16.015  -3.350
   22   1H2     G   2          1H2         G   2   3.211 -16.079  -5.158
   23   2H2     G   2          2H2         G   2   4.951 -15.893  -5.055
   24   1H5*    C   3          1H5*        C   3   8.964 -11.652  -2.618
   25   2H5*    C   3          2H5*        C   3   8.790  -9.944  -3.068
   26    H4*    C   3           H4*        C   3   8.123 -11.440  -4.919
   27    H3*    C   3           H3*        C   3   5.856  -9.876  -3.644
   28    H2*    C   3           H2*        C   3   4.532 -10.681  -5.532
   29   2HO*    C   3          2HO*        C   3   5.530 -11.900  -7.165
   30    H1*    C   3           H1*        C   3   5.375 -13.262  -5.203
   31   1H4     C   3          1H4         C   3   0.205 -12.593  -1.568
   32   2H4     C   3          2H4         C   3   1.219 -12.235  -0.184
   33    H5     C   3           H5         C   3   3.644 -11.952  -0.361
   34    H6     C   3           H6         C   3   5.517 -11.967  -1.885
   35   1H5*    C   4          1H5*        C   4   5.911  -9.100  -7.650
   36   2H5*    C   4          2H5*        C   4   5.564  -7.414  -8.090
   37    H4*    C   4           H4*        C   4   3.958  -8.962  -9.149
   38    H3*    C   4           H3*        C   4   2.771  -7.211  -6.967
   39    H2*    C   4           H2*        C   4   0.638  -8.039  -7.762
   40   2HO*    C   4          2HO*        C   4   1.139  -8.082 -10.010
   41    H1*    C   4           H1*        C   4   1.480 -10.639  -7.804
   42   1H4     C   4          1H4         C   4  -0.978  -9.706  -2.034
   43   2H4     C   4          2H4         C   4   0.573  -9.152  -1.431
   44    H5     C   4           H5         C   4   2.521  -8.849  -2.880
   45    H6     C   4           H6         C   4   3.325  -9.007  -5.152
   46   1H5*    A   5          1H5*        A   5  -0.740  -4.377  -9.637
   47   2H5*    A   5          2H5*        A   5  -0.667  -5.118  -8.025
   48    H4*    A   5           H4*        A   5  -1.781  -6.433 -10.540
   49    H3*    A   5           H3*        A   5  -2.936  -4.768  -8.397
   50    H2*    A   5           H2*        A   5  -4.470  -6.330  -7.523
   51   2HO*    A   5          2HO*        A   5  -5.333  -6.908  -9.597
   52    H1*    A   5           H1*        A   5  -3.084  -8.634  -7.809
   53    H8     A   5           H8         A   5  -0.238  -6.591  -6.669
   54   1H6     A   5          1H6         A   5  -2.802  -6.904  -0.998
   55   2H6     A   5          2H6         A   5  -1.345  -6.462  -1.874
   56    H2     A   5           H2         A   5  -5.836  -8.146  -3.954
   57   1H5*    U   6          1H5*        U   6  -6.986  -2.996  -8.347
   58   2H5*    U   6          2H5*        U   6  -5.542  -3.378  -7.401
   59    H4*    U   6           H4*        U   6  -8.087  -5.069  -7.401
   60    H3*    U   6           H3*        U   6  -7.182  -2.668  -5.847
   61    H2*    U   6           H2*        U   6  -8.002  -3.586  -3.794
   62   2HO*    U   6          2HO*        U   6  -9.975  -4.418  -4.705
   63    H1*    U   6           H1*        U   6  -7.107  -6.131  -4.199
   64    H3     U   6           H3         U   6  -4.408  -4.092  -1.058
   65    H5     U   6           H5         U   6  -2.606  -3.419  -4.792
   66    H6     U   6           H6         U   6  -4.606  -4.237  -5.846
   67   1H5*    C   7          1H5*        C   7 -10.325   0.138  -3.902
   68   2H5*    C   7          2H5*        C   7  -8.708  -0.546  -3.640
   69    H4*    C   7           H4*        C   7 -11.236  -1.452  -2.182
   70    H3*    C   7           H3*        C   7  -9.074   0.559  -1.554
   71    H2*    C   7           H2*        C   7  -9.245  -0.069   0.779
   72   2HO*    C   7          2HO*        C   7 -11.572  -0.368   0.751
   73    H1*    C   7           H1*        C   7  -9.187  -2.742   0.297
   74   1H4     C   7          1H4         C   7  -3.093  -0.926   0.785
   75   2H4     C   7          2H4         C   7  -2.978  -0.910  -0.964
   76    H5     C   7           H5         C   7  -4.915  -1.229  -2.423
   77    H6     C   7           H6         C   7  -7.292  -1.628  -2.471
   78   1H5*    U   8          1H5*        U   8 -12.077   1.226   1.392
   79   2H5*    U   8          2H5*        U   8 -12.401   2.966   1.542
   80    H4*    U   8           H4*        U   8 -11.773   2.012   3.730
   81    H3*    U   8           H3*        U   8  -9.697   3.834   2.472
   82    H2*    U   8           H2*        U   8  -8.568   3.699   4.616
   83   2HO*    U   8          2HO*        U   8  -9.552   2.594   6.351
   84    H1*    U   8           H1*        U   8  -8.840   0.997   4.806
   85    H3     U   8           H3         U   8  -4.494   1.751   3.879
   86    H5     U   8           H5         U   8  -6.397   2.098   0.157
   87    H6     U   8           H6         U   8  -8.525   1.971   1.299
   88   1H5*    U   9          1H5*        U   9 -10.392   5.052   6.402
   89   2H5*    U   9          2H5*        U   9 -10.296   6.809   6.611
   90    H4*    U   9           H4*        U   9  -8.677   5.567   8.055
   91    H3*    U   9           H3*        U   9  -7.472   7.331   5.903
   92    H2*    U   9           H2*        U   9  -5.374   6.928   7.096
   93   2HO*    U   9          2HO*        U   9  -6.260   6.918   9.242
   94    H1*    U   9           H1*        U   9  -5.800   4.240   7.245
   95    H3     U   9           H3         U   9  -2.618   4.846   4.044
   96    H5     U   9           H5         U   9  -6.242   5.709   2.104
   97    H6     U   9           H6         U   9  -7.364   5.562   4.239
   98   1H5*    C  10          1H5*        C  10  -6.072   8.360   9.934
   99   2H5*    C  10          2H5*        C  10  -5.845  10.114  10.056
  100    H4*    C  10           H4*        C  10  -3.823   8.910  10.779
  101    H3*    C  10           H3*        C  10  -3.515  10.427   8.167
  102    H2*    C  10           H2*        C  10  -1.135   9.983   8.482
  103   2HO*    C  10          2HO*        C  10  -0.424   8.925  10.363
  104    H1*    C  10           H1*        C  10  -1.543   7.350   9.010
  105   1H4     C  10          1H4         C  10  -0.810   7.757   2.727
  106   2H4     C  10          2H4         C  10  -2.518   8.092   2.507
  107    H5     C  10           H5         C  10  -4.047   8.423   4.398
  108    H6     C  10           H6         C  10  -4.205   8.477   6.812
  109   1H5*    U  11          1H5*        U  11  -0.642  11.544  11.061
  110   2H5*    U  11          2H5*        U  11  -0.276  13.277  11.070
  111    H4*    U  11           H4*        U  11   1.778  11.947  10.909
  112    H3*    U  11           H3*        U  11   1.071  13.515   8.408
  113    H2*    U  11           H2*        U  11   3.289  12.924   7.642
  114   2HO*    U  11          2HO*        U  11   3.641  11.822  10.263
  115    H1*    U  11           H1*        U  11   3.044  10.305   8.329
  116    H3     U  11           H3         U  11   2.588  10.565   3.787
  117    H5     U  11           H5         U  11  -1.248  11.336   5.327
  118    H6     U  11           H6         U  11  -0.277  11.459   7.530
  119   1H5*    C  12          1H5*        C  12   4.940  14.513   9.403
  120   2H5*    C  12          2H5*        C  12   5.217  16.265   9.285
  121    H4*    C  12           H4*        C  12   6.825  15.055   7.862
  122    H3*    C  12           H3*        C  12   4.658  16.592   6.394
  123    H2*    C  12           H2*        C  12   5.888  16.101   4.380
  124   2HO*    C  12          2HO*        C  12   7.999  16.437   5.412
  125    H1*    C  12           H1*        C  12   6.442  13.490   5.093
  126   1H4     C  12          1H4         C  12   1.487  13.545   1.142
  127   2H4     C  12          2H4         C  12   0.364  13.774   2.472
  128    H5     C  12           H5         C  12   1.131  14.118   4.788
  129    H6     C  12           H6         C  12   3.082  14.319   6.205
  130   1H5*    U  13          1H5*        U  13   7.478  17.870   4.192
  131   2H5*    U  13          2H5*        U  13   7.480  19.642   4.088
  132    H4*    U  13           H4*        U  13   7.140  18.714   1.860
  133    H3*    U  13           H3*        U  13   4.655  19.952   3.082
  134    H2*    U  13           H2*        U  13   3.647  19.686   0.917
  135   2HO*    U  13          2HO*        U  13   5.479  20.291  -0.330
  136    H1*    U  13           H1*        U  13   4.629  17.147   0.532
  137    H3     U  13           H3         U  13   0.129  16.784   1.311
  138    H5     U  13           H5         U  13   1.822  17.335   5.117
  139    H6     U  13           H6         U  13   3.958  17.725   4.047
  140   1H5*    U  14          1H5*        U  14   6.562  24.253  -0.188
  141   2H5*    U  14          2H5*        U  14   4.964  24.038  -0.917
  142    H4*    U  14           H4*        U  14   6.566  24.356  -2.675
  143    H3*    U  14           H3*        U  14   4.874  22.198  -2.709
  144    H2*    U  14           H2*        U  14   6.446  20.678  -1.760
  145   2HO*    U  14          2HO*        U  14   5.777  19.797  -3.778
  146    H1*    U  14           H1*        U  14   8.550  21.835  -3.590
  147    H3     U  14           H3         U  14  11.988  19.496  -1.861
  148    H5     U  14           H5         U  14   9.116  19.331   1.203
  149    H6     U  14           H6         U  14   7.688  20.754  -0.143
  150   1H5*    C  15          1H5*        C  15   5.025  20.747  -5.760
  151   2H5*    C  15          2H5*        C  15   4.372  21.557  -7.192
  152    H4*    C  15           H4*        C  15   3.398  19.373  -6.960
  153    H3*    C  15           H3*        C  15   1.810  21.561  -7.416
  154    H2*    C  15           H2*        C  15   1.487  21.991  -5.044
  155   2HO*    C  15          2HO*        C  15  -0.688  20.414  -6.006
  156    H1*    C  15           H1*        C  15   0.840  19.036  -4.788
  157   1H4     C  15          1H4         C  15   0.637  20.627   1.376
  158   2H4     C  15          2H4         C  15   2.106  21.580   1.220
  159    H5     C  15           H5         C  15   3.212  21.973  -0.905
  160    H6     C  15           H6         C  15   3.187  21.432  -3.279
  161   1H5*    G  16          1H5*        G  16   0.393  15.814  -8.469
  162   2H5*    G  16          2H5*        G  16   0.690  16.926  -7.125
  163    H4*    G  16           H4*        G  16   2.764  16.645  -9.303
  164    H3*    G  16           H3*        G  16   2.448  14.773  -6.932
  165    H2*    G  16           H2*        G  16   4.835  14.538  -7.189
  166   2HO*    G  16          2HO*        G  16   4.676  14.426  -9.576
  167    H1*    G  16           H1*        G  16   5.131  17.244  -7.959
  168    H8     G  16           H8         G  16   7.139  16.698  -6.453
  169    H1     G  16           H1         G  16   3.441  16.574  -1.230
  170   1H2     G  16          1H2         G  16   1.351  16.642  -1.775
  171   2H2     G  16          2H2         G  16   0.799  16.647  -3.443
  172   1H5*    G  17          1H5*        G  17   5.250  12.831  -8.871
  173   2H5*    G  17          2H5*        G  17   5.009  11.079  -8.764
  174    H4*    G  17           H4*        G  17   7.087  11.748  -7.626
  175    H3*    G  17           H3*        G  17   4.872  10.796  -5.800
  176    H2*    G  17           H2*        G  17   6.594  10.817  -4.033
  177   2HO*    G  17          2HO*        G  17   8.720  11.418  -4.578
  178    H1*    G  17           H1*        G  17   7.307  13.365  -4.613
  179    H8     G  17           H8         G  17   3.708  13.295  -5.648
  180    H1     G  17           H1         G  17   4.468  13.369   0.719
  181   1H2     G  17          1H2         G  17   6.604  13.078   1.225
  182   2H2     G  17          2H2         G  17   7.824  12.811  -0.006
  183   1H5*    A  18          1H5*        A  18   8.300   8.696  -5.099
  184   2H5*    A  18          2H5*        A  18   8.087   6.955  -4.817
  185    H4*    A  18           H4*        A  18   9.286   8.023  -2.936
  186    H3*    A  18           H3*        A  18   6.470   7.076  -2.345
  187    H2*    A  18           H2*        A  18   7.061   7.485  -0.007
  188   2HO*    A  18          2HO*        A  18   9.160   8.182   0.516
  189    H1*    A  18           H1*        A  18   7.974   9.978  -0.539
  190    H8     A  18           H8         A  18   5.266   9.585  -3.079
  191   1H6     A  18          1H6         A  18   1.240  10.595   1.547
  192   2H6     A  18          2H6         A  18   1.409  10.440  -0.191
  193    H2     A  18           H2         A  18   5.265  10.022   3.318
  194   1H5*    G  19          1H5*        G  19   9.322   5.426   0.243
  195   2H5*    G  19          2H5*        G  19   8.989   3.759   0.750
  196    H4*    G  19           H4*        G  19   9.308   5.304   2.676
  197    H3*    G  19           H3*        G  19   6.522   4.125   2.379
  198    H2*    G  19           H2*        G  19   6.135   5.061   4.592
  199   2HO*    G  19          2HO*        G  19   8.308   4.719   5.405
  200    H1*    G  19           H1*        G  19   7.021   7.514   3.843
  201    H8     G  19           H8         G  19   5.700   6.240   0.602
  202    H1     G  19           H1         G  19   1.025   7.555   4.787
  203   1H2     G  19          1H2         G  19   1.868   7.734   6.833
  204   2H2     G  19          2H2         G  19   3.592   7.619   7.131
  205   1H5*    G  20          1H5*        G  20   7.852   3.160   6.258
  206   2H5*    G  20          2H5*        G  20   7.604   1.422   6.535
  207    H4*    G  20           H4*        G  20   6.606   2.702   8.372
  208    H3*    G  20           H3*        G  20   4.613   1.433   6.467
  209    H2*    G  20           H2*        G  20   2.939   2.047   8.125
  210   2HO*    G  20          2HO*        G  20   3.597   3.003  10.088
  211    H1*    G  20           H1*        G  20   3.876   4.593   8.351
  212    H8     G  20           H8         G  20   4.476   3.853   4.726
  213    H1     G  20           H1         G  20  -1.739   4.632   6.179
  214   1H2     G  20          1H2         G  20  -2.004   4.644   8.374
  215   2H2     G  20          2H2         G  20  -0.648   4.477   9.469
  216   1H5*    A  21          1H5*        A  21   3.561   0.143  10.315
  217   2H5*    A  21          2H5*        A  21   3.147  -1.586  10.307
  218    H4*    A  21           H4*        A  21   1.300  -0.262  11.247
  219    H3*    A  21           H3*        A  21   0.740  -1.441   8.508
  220    H2*    A  21           H2*        A  21  -1.569  -0.726   8.915
  221   2HO*    A  21          2HO*        A  21  -1.469  -1.120  11.263
  222    H1*    A  21           H1*        A  21  -0.815   1.781   9.562
  223    H8     A  21           H8         A  21   1.826   0.725   7.110
  224   1H6     A  21          1H6         A  21  -2.463   1.676   2.692
  225   2H6     A  21          2H6         A  21  -0.765   1.350   2.977
  226    H2     A  21           H2         A  21  -4.460   1.845   6.645
  227   1H5*    U  22          1H5*        U  22  -2.590  -2.306  10.609
  228   2H5*    U  22          2H5*        U  22  -2.973  -4.032  10.511
  229    H4*    U  22           H4*        U  22  -4.918  -2.644   9.909
  230    H3*    U  22           H3*        U  22  -3.716  -4.186   7.591
  231    H2*    U  22           H2*        U  22  -5.818  -3.610   6.480
  232   2HO*    U  22          2HO*        U  22  -7.423  -2.477   7.646
  233    H1*    U  22           H1*        U  22  -5.640  -0.984   7.270
  234    H3     U  22           H3         U  22  -4.752  -1.339   2.786
  235    H5     U  22           H5         U  22  -1.091  -2.094   4.711
  236    H6     U  22           H6         U  22  -2.271  -2.162   6.820
  237   1H5*    U  23          1H5*        U  23  -7.821  -5.086   8.117
  238   2H5*    U  23          2H5*        U  23  -8.096  -6.836   8.027
  239    H4*    U  23           H4*        U  23  -9.689  -5.605   6.594
  240    H3*    U  23           H3*        U  23  -7.618  -7.269   5.130
  241    H2*    U  23           H2*        U  23  -9.004  -6.854   3.169
  242   2HO*    U  23          2HO*        U  23 -11.040  -7.021   4.351
  243    H1*    U  23           H1*        U  23  -9.330  -4.183   3.758
  244    H3     U  23           H3         U  23  -6.652  -4.746   0.060
  245    H5     U  23           H5         U  23  -4.067  -4.797   3.374
  246    H6     U  23           H6         U  23  -5.998  -4.919   4.820
  247   1H5*    U  24          1H5*        U  24 -11.313  -8.630   3.678
  248   2H5*    U  24          2H5*        U  24 -11.300 -10.400   3.531
  249    H4*    U  24           H4*        U  24 -11.799  -9.356   1.358
  250    H3*    U  24           H3*        U  24  -9.057 -10.644   1.528
  251    H2*    U  24           H2*        U  24  -9.005 -10.306  -0.894
  252   2HO*    U  24          2HO*        U  24 -11.276 -10.722  -1.258
  253    H1*    U  24           H1*        U  24  -9.826  -7.723  -0.701
  254    H3     U  24           H3         U  24  -5.385  -7.567  -1.602
  255    H5     U  24           H5         U  24  -5.569  -8.365   2.514
  256    H6     U  24           H6         U  24  -7.960  -8.639   2.295
  257   1H5*    G  25          1H5*        G  25 -11.346 -12.320  -1.760
  258   2H5*    G  25          2H5*        G  25 -11.016 -14.052  -1.942
  259    H4*    G  25           H4*        G  25 -10.709 -12.829  -4.068
  260    H3*    G  25           H3*        G  25  -8.190 -13.986  -2.838
  261    H2*    G  25           H2*        G  25  -7.154 -13.429  -4.979
  262   2HO*    G  25          2HO*        G  25  -9.042 -13.909  -6.287
  263    H1*    G  25           H1*        G  25  -8.122 -10.904  -4.974
  264    H8     G  25           H8         G  25  -7.663 -11.653  -1.329
  265    H1     G  25           H1         G  25  -2.130 -10.560  -4.384
  266   1H2     G  25          1H2         G  25  -2.441 -10.668  -6.573
  267   2H2     G  25          2H2         G  25  -4.026 -10.953  -7.268
  268   1H5*    G  26          1H5*        G  26  -8.606 -15.467  -6.787
  269   2H5*    G  26          2H5*        G  26  -8.133 -17.170  -6.921
  270    H4*    G  26           H4*        G  26  -6.878 -15.749  -8.514
  271    H3*    G  26           H3*        G  26  -5.268 -17.001  -6.289
  272    H2*    G  26           H2*        G  26  -3.309 -16.178  -7.568
  273   2HO*    G  26          2HO*        G  26  -3.650 -15.151  -9.557
  274    H1*    G  26           H1*        G  26  -4.300 -13.700  -7.801
  275    H8     G  26           H8         G  26  -5.771 -14.762  -4.526
  276    H1     G  26           H1         G  26   0.442 -13.202  -4.177
  277   1H2     G  26          1H2         G  26   1.322 -13.132  -6.211
  278   2H2     G  26          2H2         G  26   0.356 -13.420  -7.644
  279   1H5*    C  27          1H5*        C  27  -3.599 -18.102  -9.920
  280   2H5*    C  27          2H5*        C  27  -3.088 -19.802  -9.997
  281    H4*    C  27           H4*        C  27  -1.179 -18.324 -10.454
  282    H3*    C  27           H3*        C  27  -1.089 -19.719  -7.757
  283    H2*    C  27           H2*        C  27   1.173 -18.843  -7.586
  284   2HO*    C  27          2HO*        C  27   2.090 -17.714  -9.333
  285    H1*    C  27           H1*        C  27   0.437 -16.325  -8.323
  286   1H4     C  27          1H4         C  27  -0.232 -16.426  -2.016
  287   2H4     C  27          2H4         C  27  -1.933 -16.803  -2.208
  288    H5     C  27           H5         C  27  -2.944 -17.308  -4.394
  289    H6     C  27           H6         C  27  -2.488 -17.602  -6.730
  290   1H5*    C  28          1H5*        C  28   2.489 -20.545  -9.663
  291   2H5*    C  28          2H5*        C  28   3.034 -22.225  -9.465
  292    H4*    C  28           H4*        C  28   4.754 -20.670  -8.651
  293    H3*    C  28           H3*        C  28   3.312 -22.223  -6.476
  294    H2*    C  28           H2*        C  28   4.971 -21.334  -4.965
  295   2HO*    C  28          2HO*        C  28   6.808 -21.463  -6.330
  296    H1*    C  28           H1*        C  28   4.792 -18.786  -5.946
  297   1H4     C  28          1H4         C  28   0.781 -19.292  -1.049
  298   2H4     C  28          2H4         C  28  -0.511 -19.808  -2.120
  299    H5     C  28           H5         C  28  -0.148 -20.236  -4.509
  300    H6     C  28           H6         C  28   1.503 -20.251  -6.273
  301    H3T    C  28           H3T        C  28   5.837 -22.535  -7.785
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   7.294 -15.756   7.902
    2   2H5*    G   1          2H5*        G   1   7.404 -14.023   7.534
    3    H4*    G   1           H4*        G   1   9.057 -15.204   6.216
    4    H3*    G   1           H3*        G   1   6.690 -14.254   4.573
    5    H2*    G   1           H2*        G   1   8.002 -14.931   2.638
    6   2HO*    G   1          2HO*        G   1  10.082 -14.302   3.583
    7    H1*    G   1           H1*        G   1   8.572 -17.368   3.653
    8    H8     G   1           H8         G   1   5.240 -16.730   5.186
    9    H1     G   1           H1         G   1   4.877 -17.948  -1.104
   10   1H2     G   1          1H2         G   1   6.902 -17.822  -2.012
   11   2H2     G   1          2H2         G   1   8.325 -17.479  -1.048
   12    H5T    G   1           H5T        G   1   5.239 -14.779   7.558
   13   1H5*    G   2          1H5*        G   2  10.109 -12.885   2.629
   14   2H5*    G   2          2H5*        G   2   9.954 -11.180   2.164
   15    H4*    G   2           H4*        G   2  10.557 -12.557   0.218
   16    H3*    G   2           H3*        G   2   7.751 -11.412   0.207
   17    H2*    G   2           H2*        G   2   7.669 -12.184  -2.131
   18   2HO*    G   2          2HO*        G   2   9.918 -11.704  -2.593
   19    H1*    G   2           H1*        G   2   8.620 -14.640  -1.523
   20    H8     G   2           H8         G   2   6.665 -13.809   1.555
   21    H1     G   2           H1         G   2   2.964 -15.333  -3.465
   22   1H2     G   2          1H2         G   2   4.177 -15.340  -5.325
   23   2H2     G   2          2H2         G   2   5.888 -14.963  -5.310
   24   1H5*    C   3          1H5*        C   3   9.599 -10.148  -3.278
   25   2H5*    C   3          2H5*        C   3   9.204  -8.472  -3.714
   26    H4*    C   3           H4*        C   3   8.563 -10.052  -5.507
   27    H3*    C   3           H3*        C   3   6.247  -8.730  -4.055
   28    H2*    C   3           H2*        C   3   4.871  -9.695  -5.840
   29   2HO*    C   3          2HO*        C   3   6.454  -9.406  -7.538
   30    H1*    C   3           H1*        C   3   6.031 -12.160  -5.587
   31   1H4     C   3          1H4         C   3   1.101 -12.128  -1.588
   32   2H4     C   3          2H4         C   3   2.154 -11.628  -0.277
   33    H5     C   3           H5         C   3   4.500 -11.022  -0.629
   34    H6     C   3           H6         C   3   6.249 -10.812  -2.286
   35   1H5*    C   4          1H5*        C   4   5.841  -7.761  -8.074
   36   2H5*    C   4          2H5*        C   4   5.254  -6.102  -8.320
   37    H4*    C   4           H4*        C   4   3.709  -7.760  -9.316
   38    H3*    C   4           H3*        C   4   2.627  -6.358  -6.847
   39    H2*    C   4           H2*        C   4   0.507  -7.370  -7.517
   40   2HO*    C   4          2HO*        C   4   0.385  -8.561  -9.448
   41    H1*    C   4           H1*        C   4   1.646  -9.827  -7.860
   42   1H4     C   4          1H4         C   4  -0.417  -9.512  -1.880
   43   2H4     C   4          2H4         C   4   1.088  -8.778  -1.355
   44    H5     C   4           H5         C   4   2.874  -8.165  -2.928
   45    H6     C   4           H6         C   4   3.505  -8.111  -5.260
   46   1H5*    A   5          1H5*        A   5   0.005  -5.837 -10.115
   47   2H5*    A   5          2H5*        A   5  -0.852  -4.280 -10.081
   48    H4*    A   5           H4*        A   5  -2.402  -6.239 -10.131
   49    H3*    A   5           H3*        A   5  -2.439  -4.553  -7.611
   50    H2*    A   5           H2*        A   5  -4.397  -5.892  -7.000
   51   2HO*    A   5          2HO*        A   5  -5.183  -6.091  -9.234
   52    H1*    A   5           H1*        A   5  -3.141  -8.237  -7.527
   53    H8     A   5           H8         A   5  -0.328  -6.093  -6.279
   54   1H6     A   5          1H6         A   5  -2.699  -7.080  -0.601
   55   2H6     A   5          2H6         A   5  -1.299  -6.473  -1.467
   56    H2     A   5           H2         A   5  -5.696  -8.341  -3.597
   57   1H5*    U   6          1H5*        U   6  -6.352  -5.091  -8.288
   58   2H5*    U   6          2H5*        U   6  -7.209  -3.540  -8.325
   59    H4*    U   6           H4*        U   6  -8.248  -5.050  -6.696
   60    H3*    U   6           H3*        U   6  -6.753  -2.709  -5.481
   61    H2*    U   6           H2*        U   6  -7.864  -3.367  -3.407
   62   2HO*    U   6          2HO*        U   6  -9.880  -4.000  -4.431
   63    H1*    U   6           H1*        U   6  -7.255  -6.015  -3.739
   64    H3     U   6           H3         U   6  -4.464  -4.418  -0.495
   65    H5     U   6           H5         U   6  -2.664  -3.284  -4.118
   66    H6     U   6           H6         U   6  -4.649  -4.026  -5.274
   67   1H5*    C   7          1H5*        C   7 -10.844  -2.739  -4.082
   68   2H5*    C   7          2H5*        C   7 -11.472  -1.080  -4.107
   69    H4*    C   7           H4*        C   7 -11.829  -2.116  -1.897
   70    H3*    C   7           H3*        C   7  -9.775   0.110  -1.995
   71    H2*    C   7           H2*        C   7  -9.813   0.002   0.428
   72   2HO*    C   7          2HO*        C   7 -12.085  -0.321   0.664
   73    H1*    C   7           H1*        C   7  -9.819  -2.752   0.498
   74   1H4     C   7          1H4         C   7  -3.727  -1.256   1.221
   75   2H4     C   7          2H4         C   7  -3.531  -1.017  -0.503
   76    H5     C   7           H5         C   7  -5.412  -1.103  -2.073
   77    H6     C   7           H6         C   7  -7.795  -1.479  -2.270
   78   1H5*    U   8          1H5*        U   8 -13.071   0.925   0.881
   79   2H5*    U   8          2H5*        U   8 -13.424   2.664   0.873
   80    H4*    U   8           H4*        U   8 -13.001   1.846   3.176
   81    H3*    U   8           H3*        U   8 -10.926   3.719   2.000
   82    H2*    U   8           H2*        U   8  -9.947   3.765   4.206
   83   2HO*    U   8          2HO*        U   8 -11.938   3.832   5.386
   84    H1*    U   8           H1*        U   8 -10.192   1.069   4.617
   85    H3     U   8           H3         U   8  -5.757   1.448   4.062
   86    H5     U   8           H5         U   8  -7.274   2.272   0.234
   87    H6     U   8           H6         U   8  -9.501   2.202   1.164
   88   1H5*    U   9          1H5*        U   9 -10.452   7.742   4.885
   89   2H5*    U   9          2H5*        U   9  -9.524   6.746   3.748
   90    H4*    U   9           H4*        U   9  -9.737   6.177   6.740
   91    H3*    U   9           H3*        U   9  -7.709   7.682   5.078
   92    H2*    U   9           H2*        U   9  -6.013   6.882   6.640
   93   2HO*    U   9          2HO*        U   9  -7.398   7.006   8.533
   94    H1*    U   9           H1*        U   9  -6.858   4.313   6.533
   95    H3     U   9           H3         U   9  -3.146   4.712   3.833
   96    H5     U   9           H5         U   9  -6.450   5.548   1.378
   97    H6     U   9           H6         U   9  -7.839   5.604   3.348
   98   1H5*    C  10          1H5*        C  10  -6.805   8.524   9.164
   99   2H5*    C  10          2H5*        C  10  -6.494  10.258   9.360
  100    H4*    C  10           H4*        C  10  -4.607   8.959  10.233
  101    H3*    C  10           H3*        C  10  -4.024  10.436   7.645
  102    H2*    C  10           H2*        C  10  -1.703   9.845   8.088
  103   2HO*    C  10          2HO*        C  10  -1.160   8.761  10.012
  104    H1*    C  10           H1*        C  10  -2.296   7.249   8.602
  105   1H4     C  10          1H4         C  10  -1.182   7.592   2.377
  106   2H4     C  10          2H4         C  10  -2.875   7.917   2.054
  107    H5     C  10           H5         C  10  -4.510   8.273   3.852
  108    H6     C  10           H6         C  10  -4.801   8.366   6.250
  109   1H5*    U  11          1H5*        U  11  -1.230  11.416  10.679
  110   2H5*    U  11          2H5*        U  11  -0.793  13.134  10.693
  111    H4*    U  11           H4*        U  11   1.217  11.725  10.626
  112    H3*    U  11           H3*        U  11   0.672  13.283   8.074
  113    H2*    U  11           H2*        U  11   2.912  12.603   7.440
  114   2HO*    U  11          2HO*        U  11   4.211  11.449   8.911
  115    H1*    U  11           H1*        U  11   2.515  10.004   8.134
  116    H3     U  11           H3         U  11   2.303  10.240   3.575
  117    H5     U  11           H5         U  11  -1.580  11.140   4.914
  118    H6     U  11           H6         U  11  -0.714  11.264   7.162
  119   1H5*    C  12          1H5*        C  12   4.536  14.136   9.259
  120   2H5*    C  12          2H5*        C  12   4.904  15.867   9.104
  121    H4*    C  12           H4*        C  12   6.517  14.525   7.800
  122    H3*    C  12           H3*        C  12   4.521  16.148   6.197
  123    H2*    C  12           H2*        C  12   5.791  15.533   4.253
  124   2HO*    C  12          2HO*        C  12   7.878  15.774   5.365
  125    H1*    C  12           H1*        C  12   6.171  12.911   5.049
  126   1H4     C  12          1H4         C  12   1.396  13.096   0.886
  127   2H4     C  12          2H4         C  12   0.234  13.438   2.156
  128    H5     C  12           H5         C  12   0.924  13.851   4.488
  129    H6     C  12           H6         C  12   2.825  13.989   5.982
  130   1H5*    U  13          1H5*        U  13   7.506  17.185   4.068
  131   2H5*    U  13          2H5*        U  13   7.574  18.946   3.854
  132    H4*    U  13           H4*        U  13   7.227  17.865   1.683
  133    H3*    U  13           H3*        U  13   4.792  19.309   2.770
  134    H2*    U  13           H2*        U  13   3.846  18.965   0.564
  135   2HO*    U  13          2HO*        U  13   5.167  17.922  -1.046
  136    H1*    U  13           H1*        U  13   4.647  16.338   0.435
  137    H3     U  13           H3         U  13   0.122  16.342   1.075
  138    H5     U  13           H5         U  13   1.731  17.076   4.884
  139    H6     U  13           H6         U  13   3.923  17.233   3.867
  140   1H5*    U  14          1H5*        U  14   4.680  21.944  -1.296
  141   2H5*    U  14          2H5*        U  14   5.725  20.541  -1.042
  142    H4*    U  14           H4*        U  14   6.335  23.055  -2.634
  143    H3*    U  14           H3*        U  14   5.024  20.793  -3.364
  144    H2*    U  14           H2*        U  14   6.606  19.286  -2.411
  145   2HO*    U  14          2HO*        U  14   7.639  18.288  -4.183
  146    H1*    U  14           H1*        U  14   8.765  20.852  -3.800
  147    H3     U  14           H3         U  14  12.121  18.368  -2.130
  148    H5     U  14           H5         U  14   9.212  18.129   0.892
  149    H6     U  14           H6         U  14   7.775  19.537  -0.463
  150   1H5*    C  15          1H5*        C  15   5.235  19.658  -6.107
  151   2H5*    C  15          2H5*        C  15   4.689  20.500  -7.565
  152    H4*    C  15           H4*        C  15   3.637  18.351  -7.413
  153    H3*    C  15           H3*        C  15   2.129  20.576  -7.937
  154    H2*    C  15           H2*        C  15   1.718  20.982  -5.559
  155   2HO*    C  15          2HO*        C  15  -0.476  19.528  -6.669
  156    H1*    C  15           H1*        C  15   0.946  18.043  -5.436
  157   1H4     C  15          1H4         C  15   0.395  19.464   0.757
  158   2H4     C  15          2H4         C  15   1.899  20.363   0.730
  159    H5     C  15           H5         C  15   3.204  20.699  -1.304
  160    H6     C  15           H6         C  15   3.277  20.258  -3.702
  161   1H5*    G  16          1H5*        G  16   0.616  14.817  -8.853
  162   2H5*    G  16          2H5*        G  16   0.858  16.001  -7.556
  163    H4*    G  16           H4*        G  16   3.083  15.530  -9.538
  164    H3*    G  16           H3*        G  16   2.490  13.773  -7.130
  165    H2*    G  16           H2*        G  16   4.855  13.458  -7.127
  166   2HO*    G  16          2HO*        G  16   6.127  14.057  -8.943
  167    H1*    G  16           H1*        G  16   5.311  16.094  -8.126
  168    H8     G  16           H8         G  16   7.280  15.676  -6.551
  169    H1     G  16           H1         G  16   3.492  15.795  -1.391
  170   1H2     G  16          1H2         G  16   1.418  15.837  -1.960
  171   2H2     G  16          2H2         G  16   0.883  15.755  -3.632
  172   1H5*    G  17          1H5*        G  17   5.362  11.643  -8.936
  173   2H5*    G  17          2H5*        G  17   5.088   9.904  -8.740
  174    H4*    G  17           H4*        G  17   7.161  10.603  -7.612
  175    H3*    G  17           H3*        G  17   4.915   9.748  -5.776
  176    H2*    G  17           H2*        G  17   6.597   9.872  -3.974
  177   2HO*    G  17          2HO*        G  17   8.402   9.166  -5.298
  178    H1*    G  17           H1*        G  17   7.349  12.373  -4.668
  179    H8     G  17           H8         G  17   3.761  12.254  -5.766
  180    H1     G  17           H1         G  17   4.405  12.740   0.595
  181   1H2     G  17          1H2         G  17   6.523  12.464   1.165
  182   2H2     G  17          2H2         G  17   7.768  12.123  -0.022
  183   1H5*    A  18          1H5*        A  18   8.340   7.559  -4.848
  184   2H5*    A  18          2H5*        A  18   8.009   5.865  -4.438
  185    H4*    A  18           H4*        A  18   9.202   7.042  -2.609
  186    H3*    A  18           H3*        A  18   6.341   6.223  -2.036
  187    H2*    A  18           H2*        A  18   6.868   6.816   0.278
  188   2HO*    A  18          2HO*        A  18   8.967   7.505   0.811
  189    H1*    A  18           H1*        A  18   7.856   9.234  -0.425
  190    H8     A  18           H8         A  18   5.239   8.682  -3.032
  191   1H6     A  18          1H6         A  18   1.059  10.120   1.336
  192   2H6     A  18          2H6         A  18   1.289   9.817  -0.376
  193    H2     A  18           H2         A  18   5.004   9.634   3.304
  194   1H5*    G  19          1H5*        G  19   9.031   4.741   0.815
  195   2H5*    G  19          2H5*        G  19   8.623   3.140   1.460
  196    H4*    G  19           H4*        G  19   8.893   4.874   3.235
  197    H3*    G  19           H3*        G  19   6.119   3.671   2.938
  198    H2*    G  19           H2*        G  19   5.612   4.844   5.003
  199   2HO*    G  19          2HO*        G  19   7.253   6.067   6.034
  200    H1*    G  19           H1*        G  19   6.555   7.203   4.060
  201    H8     G  19           H8         G  19   5.407   5.672   0.875
  202    H1     G  19           H1         G  19   0.531   7.322   4.694
  203   1H2     G  19          1H2         G  19   1.264   7.612   6.771
  204   2H2     G  19          2H2         G  19   2.968   7.497   7.171
  205   1H5*    G  20          1H5*        G  20   7.122   3.502   6.903
  206   2H5*    G  20          2H5*        G  20   7.002   1.836   7.504
  207    H4*    G  20           H4*        G  20   5.787   3.347   9.006
  208    H3*    G  20           H3*        G  20   4.138   1.451   7.312
  209    H2*    G  20           H2*        G  20   2.195   2.203   8.509
  210   2HO*    G  20          2HO*        G  20   3.188   2.245  10.599
  211    H1*    G  20           H1*        G  20   2.892   4.851   8.512
  212    H8     G  20           H8         G  20   3.835   3.679   5.073
  213    H1     G  20           H1         G  20  -2.487   4.498   5.928
  214   1H2     G  20          1H2         G  20  -2.931   4.751   8.077
  215   2H2     G  20          2H2         G  20  -1.666   4.730   9.288
  216   1H5*    A  21          1H5*        A  21   1.612  -1.746   9.874
  217   2H5*    A  21          2H5*        A  21   1.414  -0.611   8.525
  218    H4*    A  21           H4*        A  21   0.378  -0.135  11.358
  219    H3*    A  21           H3*        A  21  -0.821  -1.336   8.866
  220    H2*    A  21           H2*        A  21  -2.931  -0.261   9.375
  221   2HO*    A  21          2HO*        A  21  -2.694  -0.494  11.728
  222    H1*    A  21           H1*        A  21  -1.868   2.168   9.713
  223    H8     A  21           H8         A  21   0.707   0.983   7.371
  224   1H6     A  21          1H6         A  21  -3.535   1.350   2.841
  225   2H6     A  21          2H6         A  21  -1.832   1.117   3.186
  226    H2     A  21           H2         A  21  -5.626   1.744   6.728
  227   1H5*    U  22          1H5*        U  22  -3.934  -1.688  11.012
  228   2H5*    U  22          2H5*        U  22  -4.495  -3.365  11.169
  229    H4*    U  22           H4*        U  22  -6.276  -1.918  10.268
  230    H3*    U  22           H3*        U  22  -5.111  -3.905   8.293
  231    H2*    U  22           H2*        U  22  -7.043  -3.303   6.922
  232   2HO*    U  22          2HO*        U  22  -8.493  -3.056   8.792
  233    H1*    U  22           H1*        U  22  -6.672  -0.618   7.338
  234    H3     U  22           H3         U  22  -5.482  -1.720   3.057
  235    H5     U  22           H5         U  22  -2.017  -2.272   5.372
  236    H6     U  22           H6         U  22  -3.361  -1.987   7.360
  237   1H5*    U  23          1H5*        U  23  -9.240  -4.423   8.360
  238   2H5*    U  23          2H5*        U  23  -9.655  -6.141   8.513
  239    H4*    U  23           H4*        U  23 -10.829  -5.093   6.594
  240    H3*    U  23           H3*        U  23  -8.685  -7.134   5.919
  241    H2*    U  23           H2*        U  23  -9.515  -7.009   3.668
  242   2HO*    U  23          2HO*        U  23 -11.758  -7.060   4.241
  243    H1*    U  23           H1*        U  23 -10.011  -4.243   3.800
  244    H3     U  23           H3         U  23  -6.988  -5.009   0.462
  245    H5     U  23           H5         U  23  -4.738  -4.987   4.012
  246    H6     U  23           H6         U  23  -6.806  -4.986   5.267
  247   1H5*    U  24          1H5*        U  24 -10.164 -11.210   3.976
  248   2H5*    U  24          2H5*        U  24  -8.904  -9.964   3.867
  249    H4*    U  24           H4*        U  24 -11.328 -10.157   2.018
  250    H3*    U  24           H3*        U  24  -8.450 -11.060   1.768
  251    H2*    U  24           H2*        U  24  -8.667 -10.632  -0.628
  252   2HO*    U  24          2HO*        U  24 -10.920 -11.269  -0.787
  253    H1*    U  24           H1*        U  24  -9.631  -8.145  -0.243
  254    H3     U  24           H3         U  24  -5.117  -8.077  -1.171
  255    H5     U  24           H5         U  24  -5.422  -8.214   3.012
  256    H6     U  24           H6         U  24  -7.792  -8.610   2.771
  257   1H5*    G  25          1H5*        G  25 -10.624 -12.904  -1.390
  258   2H5*    G  25          2H5*        G  25 -10.154 -14.603  -1.581
  259    H4*    G  25           H4*        G  25  -9.983 -13.388  -3.714
  260    H3*    G  25           H3*        G  25  -7.329 -14.234  -2.509
  261    H2*    G  25           H2*        G  25  -6.406 -13.616  -4.675
  262   2HO*    G  25          2HO*        G  25  -7.803 -12.910  -6.336
  263    H1*    G  25           H1*        G  25  -7.643 -11.205  -4.680
  264    H8     G  25           H8         G  25  -7.053 -11.794  -1.035
  265    H1     G  25           H1         G  25  -1.683 -10.341  -4.232
  266   1H2     G  25          1H2         G  25  -2.050 -10.473  -6.419
  267   2H2     G  25          2H2         G  25  -3.622 -10.898  -7.068
  268   1H5*    G  26          1H5*        G  26  -7.711 -15.743  -6.376
  269   2H5*    G  26          2H5*        G  26  -7.119 -17.405  -6.565
  270    H4*    G  26           H4*        G  26  -6.049 -15.893  -8.194
  271    H3*    G  26           H3*        G  26  -4.242 -16.991  -6.039
  272    H2*    G  26           H2*        G  26  -2.418 -15.998  -7.397
  273   2HO*    G  26          2HO*        G  26  -3.403 -16.456  -9.462
  274    H1*    G  26           H1*        G  26  -3.645 -13.626  -7.601
  275    H8     G  26           H8         G  26  -4.859 -14.766  -4.246
  276    H1     G  26           H1         G  26   1.204 -12.664  -4.217
  277   1H2     G  26          1H2         G  26   1.973 -12.547  -6.297
  278   2H2     G  26          2H2         G  26   0.967 -12.948  -7.676
  279   1H5*    C  27          1H5*        C  27  -2.602 -18.120  -9.740
  280   2H5*    C  27          2H5*        C  27  -1.951 -19.773  -9.721
  281    H4*    C  27           H4*        C  27  -0.185 -18.154 -10.307
  282    H3*    C  27           H3*        C  27   0.087 -19.410  -7.555
  283    H2*    C  27           H2*        C  27   2.272 -18.347  -7.496
  284   2HO*    C  27          2HO*        C  27   3.031 -17.213  -9.320
  285    H1*    C  27           H1*        C  27   1.298 -15.935  -8.315
  286   1H4     C  27          1H4         C  27   0.873 -15.880  -1.983
  287   2H4     C  27          2H4         C  27  -0.796 -16.406  -2.092
  288    H5     C  27           H5         C  27  -1.851 -17.043  -4.222
  289    H6     C  27           H6         C  27  -1.461 -17.366  -6.571
  290   1H5*    C  28          1H5*        C  28   3.664 -20.027  -9.535
  291   2H5*    C  28          2H5*        C  28   4.362 -21.638  -9.271
  292    H4*    C  28           H4*        C  28   5.955 -19.896  -8.596
  293    H3*    C  28           H3*        C  28   4.740 -21.467  -6.302
  294    H2*    C  28           H2*        C  28   6.382 -20.365  -4.911
  295   2HO*    C  28          2HO*        C  28   8.113 -20.424  -6.481
  296    H1*    C  28           H1*        C  28   5.910 -17.890  -5.978
  297   1H4     C  28          1H4         C  28   2.155 -18.594  -0.899
  298   2H4     C  28          2H4         C  28   0.875 -19.259  -1.898
  299    H5     C  28           H5         C  28   1.183 -19.724  -4.292
  300    H6     C  28           H6         C  28   2.759 -19.646  -6.123
  301    H3T    C  28           H3T        C  28   6.740 -22.578  -6.523
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   6.445 -13.972   8.156
    2   2H5*    G   1          2H5*        G   1   6.487 -12.293   7.581
    3    H4*    G   1           H4*        G   1   8.246 -13.535   6.479
    4    H3*    G   1           H3*        G   1   5.908 -12.930   4.643
    5    H2*    G   1           H2*        G   1   7.334 -13.761   2.861
    6   2HO*    G   1          2HO*        G   1   9.480 -14.392   3.333
    7    H1*    G   1           H1*        G   1   7.988 -16.018   4.199
    8    H8     G   1           H8         G   1   4.556 -15.359   5.487
    9    H1     G   1           H1         G   1   4.569 -17.415  -0.592
   10   1H2     G   1          1H2         G   1   6.627 -17.311  -1.417
   11   2H2     G   1          2H2         G   1   7.984 -16.771  -0.449
   12    H5T    G   1           H5T        G   1   4.360 -13.143   7.617
   13   1H5*    G   2          1H5*        G   2   9.370 -11.703   2.753
   14   2H5*    G   2          2H5*        G   2   9.229 -10.075   2.064
   15    H4*    G   2           H4*        G   2   9.998 -11.659   0.355
   16    H3*    G   2           H3*        G   2   7.177 -10.609   0.011
   17    H2*    G   2           H2*        G   2   7.246 -11.679  -2.201
   18   2HO*    G   2          2HO*        G   2   9.511 -11.183  -2.590
   19    H1*    G   2           H1*        G   2   8.223 -14.008  -1.238
   20    H8     G   2           H8         G   2   6.068 -12.826   1.591
   21    H1     G   2           H1         G   2   2.721 -15.228  -3.336
   22   1H2     G   2          1H2         G   2   4.034 -15.433  -5.113
   23   2H2     G   2          2H2         G   2   5.728 -14.983  -5.065
   24   1H5*    C   3          1H5*        C   3   9.181  -9.738  -3.502
   25   2H5*    C   3          2H5*        C   3   8.777  -8.137  -4.152
   26    H4*    C   3           H4*        C   3   8.236  -9.921  -5.775
   27    H3*    C   3           H3*        C   3   5.834  -8.523  -4.550
   28    H2*    C   3           H2*        C   3   4.544  -9.722  -6.250
   29   2HO*    C   3          2HO*        C   3   6.158  -9.564  -7.929
   30    H1*    C   3           H1*        C   3   5.778 -12.109  -5.706
   31   1H4     C   3          1H4         C   3   0.724 -11.885  -1.877
   32   2H4     C   3          2H4         C   3   1.701 -11.168  -0.610
   33    H5     C   3           H5         C   3   4.017 -10.464  -0.965
   34    H6     C   3           H6         C   3   5.812 -10.359  -2.582
   35   1H5*    C   4          1H5*        C   4   5.522  -8.009  -8.658
   36   2H5*    C   4          2H5*        C   4   4.893  -6.406  -9.096
   37    H4*    C   4           H4*        C   4   3.419  -8.200  -9.944
   38    H3*    C   4           H3*        C   4   2.238  -6.601  -7.648
   39    H2*    C   4           H2*        C   4   0.171  -7.739  -8.255
   40   2HO*    C   4          2HO*        C   4   0.129  -9.117 -10.062
   41    H1*    C   4           H1*        C   4   1.392 -10.183  -8.338
   42   1H4     C   4          1H4         C   4  -0.819  -9.377  -2.456
   43   2H4     C   4          2H4         C   4   0.632  -8.513  -1.981
   44    H5     C   4           H5         C   4   2.425  -7.972  -3.568
   45    H6     C   4           H6         C   4   3.113  -8.127  -5.883
   46   1H5*    A   5          1H5*        A   5  -0.327  -6.497 -10.986
   47   2H5*    A   5          2H5*        A   5  -1.240  -4.980 -11.123
   48    H4*    A   5           H4*        A   5  -2.723  -6.980 -10.994
   49    H3*    A   5           H3*        A   5  -2.847  -5.056  -8.652
   50    H2*    A   5           H2*        A   5  -4.768  -6.388  -7.930
   51   2HO*    A   5          2HO*        A   5  -5.512  -6.819 -10.154
   52    H1*    A   5           H1*        A   5  -3.452  -8.739  -8.228
   53    H8     A   5           H8         A   5  -0.734  -6.385  -7.141
   54   1H6     A   5          1H6         A   5  -3.141  -7.018  -1.423
   55   2H6     A   5          2H6         A   5  -1.753  -6.423  -2.315
   56    H2     A   5           H2         A   5  -6.021  -8.667  -4.337
   57   1H5*    U   6          1H5*        U   6  -6.692  -5.776  -9.205
   58   2H5*    U   6          2H5*        U   6  -7.606  -4.270  -9.411
   59    H4*    U   6           H4*        U   6  -8.557  -5.599  -7.579
   60    H3*    U   6           H3*        U   6  -7.123  -3.065  -6.732
   61    H2*    U   6           H2*        U   6  -8.070  -3.467  -4.545
   62   2HO*    U   6          2HO*        U   6 -10.140  -4.189  -5.270
   63    H1*    U   6           H1*        U   6  -7.483  -6.157  -4.567
   64    H3     U   6           H3         U   6  -4.578  -4.269  -1.603
   65    H5     U   6           H5         U   6  -2.924  -3.455  -5.378
   66    H6     U   6           H6         U   6  -4.939  -4.313  -6.387
   67   1H5*    C   7          1H5*        C   7 -10.425   0.139  -4.810
   68   2H5*    C   7          2H5*        C   7  -8.841  -0.505  -4.351
   69    H4*    C   7           H4*        C   7 -11.519  -1.349  -3.149
   70    H3*    C   7           H3*        C   7  -9.339   0.573  -2.349
   71    H2*    C   7           H2*        C   7  -9.679  -0.023  -0.034
   72   2HO*    C   7          2HO*        C   7 -11.915  -1.523  -1.008
   73    H1*    C   7           H1*        C   7  -9.694  -2.699  -0.468
   74   1H4     C   7          1H4         C   7  -3.560  -1.185   0.300
   75   2H4     C   7          2H4         C   7  -3.365  -1.134  -1.441
   76    H5     C   7           H5         C   7  -5.250  -1.330  -2.991
   77    H6     C   7           H6         C   7  -7.638  -1.619  -3.148
   78   1H5*    U   8          1H5*        U   8 -12.366   1.241   0.434
   79   2H5*    U   8          2H5*        U   8 -12.716   2.975   0.585
   80    H4*    U   8           H4*        U   8 -12.179   2.035   2.786
   81    H3*    U   8           H3*        U   8 -10.022   3.830   1.627
   82    H2*    U   8           H2*        U   8  -8.998   3.685   3.819
   83   2HO*    U   8          2HO*        U   8 -10.078   2.594   5.508
   84    H1*    U   8           H1*        U   8  -9.324   0.987   4.004
   85    H3     U   8           H3         U   8  -4.922   1.649   3.316
   86    H5     U   8           H5         U   8  -6.613   2.029  -0.507
   87    H6     U   8           H6         U   8  -8.801   1.954   0.519
   88   1H5*    U   9          1H5*        U   9 -10.905   5.051   5.523
   89   2H5*    U   9          2H5*        U   9 -10.799   6.807   5.738
   90    H4*    U   9           H4*        U   9  -9.280   5.553   7.267
   91    H3*    U   9           H3*        U   9  -7.927   7.278   5.176
   92    H2*    U   9           H2*        U   9  -5.908   6.861   6.499
   93   2HO*    U   9          2HO*        U   9  -6.904   6.883   8.585
   94    H1*    U   9           H1*        U   9  -6.381   4.179   6.638
   95    H3     U   9           H3         U   9  -3.030   4.677   3.603
   96    H5     U   9           H5         U   9  -6.513   5.697   1.487
   97    H6     U   9           H6         U   9  -7.745   5.570   3.561
   98   1H5*    C  10          1H5*        C  10  -6.861   8.302   9.316
   99   2H5*    C  10          2H5*        C  10  -6.572  10.046   9.467
  100    H4*    C  10           H4*        C  10  -4.682   8.733  10.369
  101    H3*    C  10           H3*        C  10  -4.083  10.307   7.844
  102    H2*    C  10           H2*        C  10  -1.760   9.747   8.333
  103   2HO*    C  10          2HO*        C  10  -1.942   9.923  10.655
  104    H1*    C  10           H1*        C  10  -2.309   7.132   8.824
  105   1H4     C  10          1H4         C  10  -0.843   7.504   2.665
  106   2H4     C  10          2H4         C  10  -2.495   7.931   2.257
  107    H5     C  10           H5         C  10  -4.217   8.327   3.956
  108    H6     C  10           H6         C  10  -4.657   8.382   6.335
  109   1H5*    U  11          1H5*        U  11  -1.431  11.368  11.148
  110   2H5*    U  11          2H5*        U  11  -1.100  13.109  11.151
  111    H4*    U  11           H4*        U  11   0.992  11.812  11.248
  112    H3*    U  11           H3*        U  11   0.519  13.315   8.653
  113    H2*    U  11           H2*        U  11   2.833  12.766   8.160
  114   2HO*    U  11          2HO*        U  11   4.104  11.704   9.724
  115    H1*    U  11           H1*        U  11   2.551  10.152   8.874
  116    H3     U  11           H3         U  11   2.636  10.302   4.305
  117    H5     U  11           H5         U  11  -1.373  11.014   5.365
  118    H6     U  11           H6         U  11  -0.670  11.217   7.662
  119   1H5*    C  12          1H5*        C  12   4.252  14.435  10.043
  120   2H5*    C  12          2H5*        C  12   4.485  16.192   9.925
  121    H4*    C  12           H4*        C  12   6.277  15.024   8.700
  122    H3*    C  12           H3*        C  12   4.218  16.453   6.986
  123    H2*    C  12           H2*        C  12   5.641  15.961   5.111
  124   2HO*    C  12          2HO*        C  12   7.640  16.398   6.308
  125    H1*    C  12           H1*        C  12   6.218  13.385   5.931
  126   1H4     C  12          1H4         C  12   1.628  13.153   1.566
  127   2H4     C  12          2H4         C  12   0.388  13.387   2.786
  128    H5     C  12           H5         C  12   0.935  13.840   5.144
  129    H6     C  12           H6         C  12   2.752  14.145   6.716
  130   1H5*    U  13          1H5*        U  13   7.168  17.810   5.001
  131   2H5*    U  13          2H5*        U  13   7.081  19.576   4.844
  132    H4*    U  13           H4*        U  13   6.947  18.565   2.627
  133    H3*    U  13           H3*        U  13   4.321  19.706   3.633
  134    H2*    U  13           H2*        U  13   3.489  19.328   1.409
  135   2HO*    U  13          2HO*        U  13   5.370  19.993   0.278
  136    H1*    U  13           H1*        U  13   4.620  16.830   1.178
  137    H3     U  13           H3         U  13   0.097  16.283   1.624
  138    H5     U  13           H5         U  13   1.455  17.047   5.525
  139    H6     U  13           H6         U  13   3.654  17.484   4.615
  140   1H5*    U  14          1H5*        U  14   6.148  24.027   0.350
  141   2H5*    U  14          2H5*        U  14   4.610  23.671  -0.452
  142    H4*    U  14           H4*        U  14   6.279  24.049  -2.135
  143    H3*    U  14           H3*        U  14   4.747  21.774  -2.174
  144    H2*    U  14           H2*        U  14   6.366  20.395  -1.106
  145   2HO*    U  14          2HO*        U  14   5.880  19.428  -3.136
  146    H1*    U  14           H1*        U  14   8.496  21.644  -2.837
  147    H3     U  14           H3         U  14  11.953  19.590  -0.801
  148    H5     U  14           H5         U  14   8.893  19.329   2.069
  149    H6     U  14           H6         U  14   7.477  20.618   0.589
  150   1H5*    C  15          1H5*        C  15   5.143  20.249  -5.160
  151   2H5*    C  15          2H5*        C  15   4.501  20.963  -6.647
  152    H4*    C  15           H4*        C  15   3.684  18.719  -6.375
  153    H3*    C  15           H3*        C  15   1.965  20.767  -6.996
  154    H2*    C  15           H2*        C  15   1.488  21.255  -4.664
  155   2HO*    C  15          2HO*        C  15  -0.513  19.483  -5.667
  156    H1*    C  15           H1*        C  15   1.045  18.271  -4.315
  157   1H4     C  15          1H4         C  15   0.399  20.094   1.752
  158   2H4     C  15          2H4         C  15   1.807  21.139   1.632
  159    H5     C  15           H5         C  15   2.999  21.525  -0.450
  160    H6     C  15           H6         C  15   3.136  20.887  -2.799
  161   1H5*    G  16          1H5*        G  16   1.059  14.900  -7.982
  162   2H5*    G  16          2H5*        G  16   1.209  16.047  -6.640
  163    H4*    G  16           H4*        G  16   3.382  15.914  -8.739
  164    H3*    G  16           H3*        G  16   3.139  14.068  -6.338
  165    H2*    G  16           H2*        G  16   5.548  14.047  -6.492
  166   2HO*    G  16          2HO*        G  16   5.508  13.874  -8.874
  167    H1*    G  16           H1*        G  16   5.639  16.754  -7.291
  168    H8     G  16           H8         G  16   7.605  16.378  -5.661
  169    H1     G  16           H1         G  16   3.617  16.127  -0.660
  170   1H2     G  16          1H2         G  16   1.565  16.007  -1.325
  171   2H2     G  16          2H2         G  16   1.117  15.916  -3.021
  172   1H5*    G  17          1H5*        G  17   6.192  12.362  -8.047
  173   2H5*    G  17          2H5*        G  17   6.106  10.596  -7.921
  174    H4*    G  17           H4*        G  17   8.035  11.467  -6.669
  175    H3*    G  17           H3*        G  17   5.800  10.334  -4.977
  176    H2*    G  17           H2*        G  17   7.370  10.567  -3.084
  177   2HO*    G  17          2HO*        G  17   9.300  10.084  -4.329
  178    H1*    G  17           H1*        G  17   7.904  13.150  -3.678
  179    H8     G  17           H8         G  17   4.407  12.739  -4.965
  180    H1     G  17           H1         G  17   4.686  13.092   1.431
  181   1H2     G  17          1H2         G  17   6.789  12.984   2.103
  182   2H2     G  17          2H2         G  17   8.114  12.769   0.975
  183   1H5*    A  18          1H5*        A  18   9.321   8.454  -3.912
  184   2H5*    A  18          2H5*        A  18   9.143   6.715  -3.613
  185    H4*    A  18           H4*        A  18  10.069   7.879  -1.634
  186    H3*    A  18           H3*        A  18   7.246   6.811  -1.348
  187    H2*    A  18           H2*        A  18   7.530   7.306   1.024
  188   2HO*    A  18          2HO*        A  18   9.522   8.097   1.781
  189    H1*    A  18           H1*        A  18   8.424   9.823   0.535
  190    H8     A  18           H8         A  18   6.012   9.249  -2.262
  191   1H6     A  18          1H6         A  18   1.499  10.268   1.893
  192   2H6     A  18          2H6         A  18   1.856  10.067   0.187
  193    H2     A  18           H2         A  18   5.340   9.901   4.082
  194   1H5*    G  19          1H5*        G  19   9.695   5.301   1.672
  195   2H5*    G  19          2H5*        G  19   9.352   3.623   2.118
  196    H4*    G  19           H4*        G  19   9.218   5.155   4.070
  197    H3*    G  19           H3*        G  19   6.561   3.953   3.220
  198    H2*    G  19           H2*        G  19   5.678   4.955   5.243
  199   2HO*    G  19          2HO*        G  19   7.573   4.644   6.559
  200    H1*    G  19           H1*        G  19   6.703   7.371   4.666
  201    H8     G  19           H8         G  19   6.014   6.071   1.238
  202    H1     G  19           H1         G  19   0.689   7.350   4.588
  203   1H2     G  19          1H2         G  19   1.198   7.523   6.755
  204   2H2     G  19          2H2         G  19   2.853   7.411   7.318
  205   1H5*    G  20          1H5*        G  20   5.216  -0.065   4.655
  206   2H5*    G  20          2H5*        G  20   4.063   1.212   4.261
  207    H4*    G  20           H4*        G  20   6.115   1.230   6.522
  208    H3*    G  20           H3*        G  20   3.216   0.664   6.172
  209    H2*    G  20           H2*        G  20   2.493   1.990   7.998
  210   2HO*    G  20          2HO*        G  20   4.252   1.321   9.411
  211    H1*    G  20           H1*        G  20   4.000   4.156   7.513
  212    H8     G  20           H8         G  20   3.914   3.674   4.053
  213    H1     G  20           H1         G  20  -2.128   4.362   6.119
  214   1H2     G  20          1H2         G  20  -2.184   4.230   8.335
  215   2H2     G  20          2H2         G  20  -0.737   3.937   9.276
  216   1H5*    A  21          1H5*        A  21   2.774  -0.259   9.889
  217   2H5*    A  21          2H5*        A  21   2.276  -1.956  10.062
  218    H4*    A  21           H4*        A  21   0.507  -0.548  10.951
  219    H3*    A  21           H3*        A  21  -0.132  -1.742   8.236
  220    H2*    A  21           H2*        A  21  -2.384  -0.861   8.572
  221   2HO*    A  21          2HO*        A  21  -2.345  -1.218  10.935
  222    H1*    A  21           H1*        A  21  -1.508   1.601   9.193
  223    H8     A  21           H8         A  21   1.215   0.548   6.883
  224   1H6     A  21          1H6         A  21  -2.847   1.445   2.243
  225   2H6     A  21          2H6         A  21  -1.162   1.138   2.617
  226    H2     A  21           H2         A  21  -5.055   1.569   6.077
  227   1H5*    U  22          1H5*        U  22  -3.510  -2.292  10.170
  228   2H5*    U  22          2H5*        U  22  -4.008  -3.992  10.160
  229    H4*    U  22           H4*        U  22  -5.819  -2.543   9.340
  230    H3*    U  22           H3*        U  22  -4.533  -4.267   7.200
  231    H2*    U  22           H2*        U  22  -6.516  -3.668   5.910
  232   2HO*    U  22          2HO*        U  22  -8.167  -2.436   6.893
  233    H1*    U  22           H1*        U  22  -6.310  -1.009   6.627
  234    H3     U  22           H3         U  22  -5.263  -1.525   2.196
  235    H5     U  22           H5         U  22  -1.695  -2.291   4.287
  236    H6     U  22           H6         U  22  -2.953  -2.262   6.350
  237   1H5*    U  23          1H5*        U  23  -8.665  -5.019   7.489
  238   2H5*    U  23          2H5*        U  23  -8.989  -6.763   7.483
  239    H4*    U  23           H4*        U  23 -10.422  -5.621   5.842
  240    H3*    U  23           H3*        U  23  -8.214  -7.323   4.639
  241    H2*    U  23           H2*        U  23  -9.419  -7.019   2.554
  242   2HO*    U  23          2HO*        U  23 -11.547  -7.210   3.526
  243    H1*    U  23           H1*        U  23  -9.884  -4.324   3.040
  244    H3     U  23           H3         U  23  -7.016  -4.769  -0.499
  245    H5     U  23           H5         U  23  -4.589  -4.918   2.927
  246    H6     U  23           H6         U  23  -6.587  -5.076   4.278
  247   1H5*    U  24          1H5*        U  24 -11.723  -9.006   2.990
  248   2H5*    U  24          2H5*        U  24 -11.576 -10.775   3.044
  249    H4*    U  24           H4*        U  24 -11.942 -10.063   0.736
  250    H3*    U  24           H3*        U  24  -9.083 -10.938   1.263
  251    H2*    U  24           H2*        U  24  -8.880 -10.895  -1.168
  252   2HO*    U  24          2HO*        U  24 -10.705 -10.435  -2.444
  253    H1*    U  24           H1*        U  24 -10.037  -8.429  -1.346
  254    H3     U  24           H3         U  24  -5.628  -7.688  -1.989
  255    H5     U  24           H5         U  24  -5.921  -8.364   2.143
  256    H6     U  24           H6         U  24  -8.256  -8.909   1.830
  257   1H5*    G  25          1H5*        G  25 -10.914 -13.184  -1.900
  258   2H5*    G  25          2H5*        G  25 -10.406 -14.884  -1.890
  259    H4*    G  25           H4*        G  25 -10.144 -13.887  -4.121
  260    H3*    G  25           H3*        G  25  -7.523 -14.531  -2.728
  261    H2*    G  25           H2*        G  25  -6.542 -14.130  -4.920
  262   2HO*    G  25          2HO*        G  25  -7.891 -13.656  -6.690
  263    H1*    G  25           H1*        G  25  -7.844 -11.769  -5.227
  264    H8     G  25           H8         G  25  -7.308 -12.045  -1.522
  265    H1     G  25           H1         G  25  -1.969 -10.528  -4.744
  266   1H2     G  25          1H2         G  25  -2.279 -10.865  -6.916
  267   2H2     G  25          2H2         G  25  -3.811 -11.433  -7.552
  268   1H5*    G  26          1H5*        G  26  -7.753 -16.461  -6.419
  269   2H5*    G  26          2H5*        G  26  -7.097 -18.109  -6.415
  270    H4*    G  26           H4*        G  26  -6.042 -16.741  -8.175
  271    H3*    G  26           H3*        G  26  -4.250 -17.538  -5.879
  272    H2*    G  26           H2*        G  26  -2.428 -16.619  -7.282
  273   2HO*    G  26          2HO*        G  26  -3.328 -17.333  -9.313
  274    H1*    G  26           H1*        G  26  -3.742 -14.329  -7.784
  275    H8     G  26           H8         G  26  -4.980 -15.171  -4.345
  276    H1     G  26           H1         G  26   0.950 -12.723  -4.429
  277   1H2     G  26          1H2         G  26   1.764 -12.781  -6.493
  278   2H2     G  26          2H2         G  26   0.818 -13.379  -7.841
  279   1H5*    C  27          1H5*        C  27  -2.457 -18.997  -9.388
  280   2H5*    C  27          2H5*        C  27  -1.752 -20.614  -9.163
  281    H4*    C  27           H4*        C  27  -0.016 -19.007  -9.857
  282    H3*    C  27           H3*        C  27   0.176 -19.923  -6.970
  283    H2*    C  27           H2*        C  27   2.322 -18.778  -6.954
  284   2HO*    C  27          2HO*        C  27   3.117 -17.834  -8.867
  285    H1*    C  27           H1*        C  27   1.306 -16.518  -8.087
  286   1H4     C  27          1H4         C  27   0.588 -15.700  -1.842
  287   2H4     C  27          2H4         C  27  -1.045 -16.333  -1.943
  288    H5     C  27           H5         C  27  -1.967 -17.296  -4.008
  289    H6     C  27           H6         C  27  -1.464 -17.876  -6.285
  290   1H5*    C  28          1H5*        C  28   3.853 -20.618  -8.712
  291   2H5*    C  28          2H5*        C  28   4.593 -22.162  -8.239
  292    H4*    C  28           H4*        C  28   6.097 -20.292  -7.707
  293    H3*    C  28           H3*        C  28   4.829 -21.631  -5.296
  294    H2*    C  28           H2*        C  28   6.347 -20.305  -3.965
  295   2HO*    C  28          2HO*        C  28   8.204 -20.427  -5.302
  296    H1*    C  28           H1*        C  28   5.862 -17.997  -5.356
  297   1H4     C  28          1H4         C  28   1.881 -18.195  -0.408
  298   2H4     C  28          2H4         C  28   0.682 -19.046  -1.366
  299    H5     C  28           H5         C  28   1.125 -19.806  -3.660
  300    H6     C  28           H6         C  28   2.787 -19.894  -5.413
  301    H3T    C  28           H3T        C  28   7.391 -21.842  -6.548
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   6.855 -16.703   7.497
    2   2H5*    G   1          2H5*        G   1   7.098 -14.985   7.122
    3    H4*    G   1           H4*        G   1   8.637 -16.293   5.789
    4    H3*    G   1           H3*        G   1   6.332 -15.171   4.164
    5    H2*    G   1           H2*        G   1   7.561 -15.945   2.225
    6   2HO*    G   1          2HO*        G   1   9.622 -16.902   2.498
    7    H1*    G   1           H1*        G   1   7.963 -18.418   3.242
    8    H8     G   1           H8         G   1   4.700 -17.491   4.784
    9    H1     G   1           H1         G   1   4.214 -18.796  -1.479
   10   1H2     G   1          1H2         G   1   6.235 -18.853  -2.394
   11   2H2     G   1          2H2         G   1   7.688 -18.603  -1.444
   12    H5T    G   1           H5T        G   1   4.879 -15.555   7.169
   13   1H5*    G   2          1H5*        G   2   9.825 -14.166   2.230
   14   2H5*    G   2          2H5*        G   2   9.867 -12.457   1.756
   15    H4*    G   2           H4*        G   2  10.333 -13.875  -0.187
   16    H3*    G   2           H3*        G   2   7.636 -12.494  -0.204
   17    H2*    G   2           H2*        G   2   7.485 -13.246  -2.536
   18   2HO*    G   2          2HO*        G   2   9.257 -14.307  -3.479
   19    H1*    G   2           H1*        G   2   8.234 -15.780  -1.938
   20    H8     G   2           H8         G   2   6.337 -14.734   1.126
   21    H1     G   2           H1         G   2   2.559 -16.111  -3.882
   22   1H2     G   2          1H2         G   2   3.782 -16.270  -5.730
   23   2H2     G   2          2H2         G   2   5.517 -16.027  -5.707
   24   1H5*    C   3          1H5*        C   3   9.611 -11.483  -3.651
   25   2H5*    C   3          2H5*        C   3   9.424  -9.784  -4.135
   26    H4*    C   3           H4*        C   3   8.642 -11.300  -5.918
   27    H3*    C   3           H3*        C   3   6.446  -9.749  -4.506
   28    H2*    C   3           H2*        C   3   4.998 -10.593  -6.285
   29   2HO*    C   3          2HO*        C   3   6.592 -10.453  -7.981
   30    H1*    C   3           H1*        C   3   5.939 -13.157  -6.031
   31   1H4     C   3          1H4         C   3   0.961 -12.749  -2.117
   32   2H4     C   3          2H4         C   3   2.020 -12.292  -0.797
   33    H5     C   3           H5         C   3   4.403 -11.838  -1.112
   34    H6     C   3           H6         C   3   6.194 -11.768  -2.736
   35   1H5*    C   4          1H5*        C   4   6.139  -8.741  -8.534
   36   2H5*    C   4          2H5*        C   4   5.700  -7.035  -8.765
   37    H4*    C   4           H4*        C   4   4.012  -8.547  -9.760
   38    H3*    C   4           H3*        C   4   3.067  -7.066  -7.280
   39    H2*    C   4           H2*        C   4   0.863  -7.896  -7.939
   40   2HO*    C   4          2HO*        C   4   1.182  -7.725 -10.240
   41    H1*    C   4           H1*        C   4   1.784 -10.435  -8.304
   42   1H4     C   4          1H4         C   4  -0.215  -9.985  -2.311
   43   2H4     C   4          2H4         C   4   1.331  -9.337  -1.792
   44    H5     C   4           H5         C   4   3.153  -8.860  -3.367
   45    H6     C   4           H6         C   4   3.783  -8.859  -5.703
   46   1H5*    A   5          1H5*        A   5   0.439  -6.177 -10.540
   47   2H5*    A   5          2H5*        A   5  -0.281  -4.562 -10.390
   48    H4*    A   5           H4*        A   5  -1.975  -6.418 -10.488
   49    H3*    A   5           H3*        A   5  -1.847  -4.798  -7.930
   50    H2*    A   5           H2*        A   5  -3.893  -5.993  -7.322
   51   2HO*    A   5          2HO*        A   5  -4.799  -7.482  -8.815
   52    H1*    A   5           H1*        A   5  -2.825  -8.418  -7.930
   53    H8     A   5           H8         A   5   0.158  -6.566  -6.638
   54   1H6     A   5          1H6         A   5  -2.332  -7.411  -0.984
   55   2H6     A   5          2H6         A   5  -0.874  -6.918  -1.829
   56    H2     A   5           H2         A   5  -5.404  -8.356  -4.009
   57   1H5*    U   6          1H5*        U   6  -5.790  -5.085  -8.641
   58   2H5*    U   6          2H5*        U   6  -6.564  -3.490  -8.663
   59    H4*    U   6           H4*        U   6  -7.724  -4.975  -7.093
   60    H3*    U   6           H3*        U   6  -6.130  -2.750  -5.791
   61    H2*    U   6           H2*        U   6  -7.320  -3.379  -3.757
   62   2HO*    U   6          2HO*        U   6  -8.938  -4.980  -3.847
   63    H1*    U   6           H1*        U   6  -6.839  -6.050  -4.123
   64    H3     U   6           H3         U   6  -4.024  -4.623  -0.813
   65    H5     U   6           H5         U   6  -2.103  -3.576  -4.399
   66    H6     U   6           H6         U   6  -4.114  -4.182  -5.588
   67   1H5*    C   7          1H5*        C   7 -10.193  -2.670  -4.472
   68   2H5*    C   7          2H5*        C   7 -10.800  -1.004  -4.515
   69    H4*    C   7           H4*        C   7 -11.276  -1.996  -2.327
   70    H3*    C   7           H3*        C   7  -9.086   0.103  -2.314
   71    H2*    C   7           H2*        C   7  -9.285   0.003   0.107
   72   2HO*    C   7          2HO*        C   7 -10.942  -1.220   1.060
   73    H1*    C   7           H1*        C   7  -9.383  -2.750   0.153
   74   1H4     C   7          1H4         C   7  -3.257  -1.431   1.039
   75   2H4     C   7          2H4         C   7  -3.011  -1.248  -0.686
   76    H5     C   7           H5         C   7  -4.842  -1.318  -2.297
   77    H6     C   7           H6         C   7  -7.228  -1.610  -2.557
   78   1H5*    U   8          1H5*        U   8 -12.331   1.090   0.387
   79   2H5*    U   8          2H5*        U   8 -12.630   2.842   0.411
   80    H4*    U   8           H4*        U   8 -12.277   1.974   2.695
   81    H3*    U   8           H3*        U   8 -10.054   3.741   1.620
   82    H2*    U   8           H2*        U   8  -9.176   3.672   3.882
   83   2HO*    U   8          2HO*        U   8 -11.333   3.723   4.884
   84    H1*    U   8           H1*        U   8  -9.539   0.986   4.170
   85    H3     U   8           H3         U   8  -5.082   1.279   3.735
   86    H5     U   8           H5         U   8  -6.484   2.090  -0.137
   87    H6     U   8           H6         U   8  -8.737   2.082   0.739
   88   1H5*    U   9          1H5*        U   9 -11.135   5.181   5.426
   89   2H5*    U   9          2H5*        U   9 -11.000   6.944   5.527
   90    H4*    U   9           H4*        U   9  -9.546   5.734   7.175
   91    H3*    U   9           H3*        U   9  -8.133   7.379   5.060
   92    H2*    U   9           H2*        U   9  -6.146   6.990   6.426
   93   2HO*    U   9          2HO*        U   9  -6.325   5.910   8.406
   94    H1*    U   9           H1*        U   9  -6.638   4.315   6.662
   95    H3     U   9           H3         U   9  -3.218   4.657   3.683
   96    H5     U   9           H5         U   9  -6.643   5.608   1.448
   97    H6     U   9           H6         U   9  -7.926   5.575   3.494
   98   1H5*    C  10          1H5*        C  10  -7.079   8.407   9.125
   99   2H5*    C  10          2H5*        C  10  -6.810  10.148   9.323
  100    H4*    C  10           H4*        C  10  -4.915   8.833  10.205
  101    H3*    C  10           H3*        C  10  -4.307  10.459   7.716
  102    H2*    C  10           H2*        C  10  -1.979   9.894   8.200
  103   2HO*    C  10          2HO*        C  10  -2.186   9.985  10.531
  104    H1*    C  10           H1*        C  10  -2.511   7.268   8.573
  105   1H4     C  10          1H4         C  10  -1.275   7.839   2.386
  106   2H4     C  10          2H4         C  10  -2.956   8.205   2.046
  107    H5     C  10           H5         C  10  -4.621   8.522   3.822
  108    H6     C  10           H6         C  10  -4.957   8.524   6.218
  109   1H5*    U  11          1H5*        U  11  -1.636  11.411  10.955
  110   2H5*    U  11          2H5*        U  11  -1.199  13.126  10.995
  111    H4*    U  11           H4*        U  11   0.795  11.655  10.972
  112    H3*    U  11           H3*        U  11   0.381  13.369   8.500
  113    H2*    U  11           H2*        U  11   2.645  12.672   7.915
  114   2HO*    U  11          2HO*        U  11   3.416  12.678  10.151
  115    H1*    U  11           H1*        U  11   2.163  10.050   8.431
  116    H3     U  11           H3         U  11   2.143  10.593   3.884
  117    H5     U  11           H5         U  11  -1.789  11.411   5.131
  118    H6     U  11           H6         U  11  -1.011  11.394   7.410
  119   1H5*    C  12          1H5*        C  12   4.262  14.129   9.861
  120   2H5*    C  12          2H5*        C  12   4.604  15.871   9.815
  121    H4*    C  12           H4*        C  12   6.270  14.624   8.478
  122    H3*    C  12           H3*        C  12   4.300  16.339   6.936
  123    H2*    C  12           H2*        C  12   5.621  15.861   4.983
  124   2HO*    C  12          2HO*        C  12   7.680  16.043   6.148
  125    H1*    C  12           H1*        C  12   5.995  13.194   5.604
  126   1H4     C  12          1H4         C  12   1.278  13.671   1.397
  127   2H4     C  12          2H4         C  12   0.097  13.901   2.676
  128    H5     C  12           H5         C  12   0.749  14.122   5.038
  129    H6     C  12           H6         C  12   2.629  14.163   6.564
  130   1H5*    U  13          1H5*        U  13   7.278  17.571   4.948
  131   2H5*    U  13          2H5*        U  13   7.350  19.346   4.917
  132    H4*    U  13           H4*        U  13   7.046  18.521   2.641
  133    H3*    U  13           H3*        U  13   4.570  19.799   3.838
  134    H2*    U  13           H2*        U  13   3.626  19.664   1.630
  135   2HO*    U  13          2HO*        U  13   5.513  20.251   0.470
  136    H1*    U  13           H1*        U  13   4.524  17.106   1.174
  137    H3     U  13           H3         U  13  -0.011  16.918   1.777
  138    H5     U  13           H5         U  13   1.558  17.256   5.659
  139    H6     U  13           H6         U  13   3.750  17.575   4.687
  140   1H5*    U  14          1H5*        U  14   6.648  24.189   0.810
  141   2H5*    U  14          2H5*        U  14   5.056  24.028   0.051
  142    H4*    U  14           H4*        U  14   6.688  24.387  -1.669
  143    H3*    U  14           H3*        U  14   4.962  22.256  -1.809
  144    H2*    U  14           H2*        U  14   6.491  20.669  -0.916
  145   2HO*    U  14          2HO*        U  14   5.856  19.893  -2.985
  146    H1*    U  14           H1*        U  14   8.660  21.859  -2.637
  147    H3     U  14           H3         U  14  11.991  19.377  -0.904
  148    H5     U  14           H5         U  14   9.027  19.161   2.069
  149    H6     U  14           H6         U  14   7.676  20.668   0.746
  150   1H5*    C  15          1H5*        C  15   5.100  20.932  -4.894
  151   2H5*    C  15          2H5*        C  15   4.462  21.805  -6.299
  152    H4*    C  15           H4*        C  15   3.461  19.625  -6.142
  153    H3*    C  15           H3*        C  15   1.914  21.852  -6.542
  154    H2*    C  15           H2*        C  15   1.576  22.210  -4.167
  155   2HO*    C  15          2HO*        C  15  -0.632  21.683  -3.819
  156    H1*    C  15           H1*        C  15   0.874  19.262  -4.008
  157   1H4     C  15          1H4         C  15   0.645  20.676   2.202
  158   2H4     C  15          2H4         C  15   2.130  21.608   2.086
  159    H5     C  15           H5         C  15   3.264  22.041  -0.017
  160    H6     C  15           H6         C  15   3.251  21.565  -2.405
  161   1H5*    G  16          1H5*        G  16   0.470  16.185  -7.955
  162   2H5*    G  16          2H5*        G  16   0.766  17.195  -6.531
  163    H4*    G  16           H4*        G  16   2.842  17.052  -8.726
  164    H3*    G  16           H3*        G  16   2.510  15.049  -6.464
  165    H2*    G  16           H2*        G  16   4.898  14.828  -6.697
  166   2HO*    G  16          2HO*        G  16   4.782  14.833  -9.082
  167    H1*    G  16           H1*        G  16   5.215  17.570  -7.317
  168    H8     G  16           H8         G  16   7.198  16.923  -5.803
  169    H1     G  16           H1         G  16   3.388  16.634  -0.665
  170   1H2     G  16          1H2         G  16   1.309  16.747  -1.250
  171   2H2     G  16          2H2         G  16   0.794  16.821  -2.928
  172   1H5*    G  17          1H5*        G  17   5.342  13.195  -8.443
  173   2H5*    G  17          2H5*        G  17   5.092  11.441  -8.432
  174    H4*    G  17           H4*        G  17   7.140  12.036  -7.209
  175    H3*    G  17           H3*        G  17   4.871  11.009  -5.492
  176    H2*    G  17           H2*        G  17   6.524  10.964  -3.668
  177   2HO*    G  17          2HO*        G  17   8.676  11.562  -4.111
  178    H1*    G  17           H1*        G  17   7.284  13.522  -4.117
  179    H8     G  17           H8         G  17   3.711  13.497  -5.264
  180    H1     G  17           H1         G  17   4.286  13.400   1.121
  181   1H2     G  17          1H2         G  17   6.401  13.086   1.684
  182   2H2     G  17          2H2         G  17   7.659  12.854   0.486
  183   1H5*    A  18          1H5*        A  18   8.299   8.848  -4.720
  184   2H5*    A  18          2H5*        A  18   8.039   7.108  -4.480
  185    H4*    A  18           H4*        A  18   9.173   8.132  -2.531
  186    H3*    A  18           H3*        A  18   6.328   7.196  -2.067
  187    H2*    A  18           H2*        A  18   6.819   7.583   0.298
  188   2HO*    A  18          2HO*        A  18   8.897   8.261   0.917
  189    H1*    A  18           H1*        A  18   7.756  10.077  -0.165
  190    H8     A  18           H8         A  18   5.178   9.694  -2.844
  191   1H6     A  18          1H6         A  18   0.919  10.655   1.574
  192   2H6     A  18          2H6         A  18   1.183  10.514  -0.154
  193    H2     A  18           H2         A  18   4.852  10.077   3.549
  194   1H5*    G  19          1H5*        G  19   9.007   5.507   0.683
  195   2H5*    G  19          2H5*        G  19   8.612   3.848   1.163
  196    H4*    G  19           H4*        G  19   8.825   5.400   3.098
  197    H3*    G  19           H3*        G  19   6.062   4.228   2.640
  198    H2*    G  19           H2*        G  19   5.538   5.188   4.817
  199   2HO*    G  19          2HO*        G  19   7.679   4.862   5.746
  200    H1*    G  19           H1*        G  19   6.454   7.633   4.100
  201    H8     G  19           H8         G  19   5.380   6.359   0.775
  202    H1     G  19           H1         G  19   0.398   7.542   4.630
  203   1H2     G  19          1H2         G  19   1.090   7.717   6.729
  204   2H2     G  19          2H2         G  19   2.792   7.644   7.149
  205   1H5*    G  20          1H5*        G  20   7.152   3.495   6.614
  206   2H5*    G  20          2H5*        G  20   6.854   1.798   7.037
  207    H4*    G  20           H4*        G  20   5.798   3.316   8.676
  208    H3*    G  20           H3*        G  20   3.915   1.751   6.890
  209    H2*    G  20           H2*        G  20   2.153   2.554   8.375
  210   2HO*    G  20          2HO*        G  20   2.707   3.802  10.202
  211    H1*    G  20           H1*        G  20   3.017   5.123   8.272
  212    H8     G  20           H8         G  20   3.842   3.994   4.811
  213    H1     G  20           H1         G  20  -2.483   4.528   5.846
  214   1H2     G  20          1H2         G  20  -2.879   4.726   8.010
  215   2H2     G  20          2H2         G  20  -1.582   4.752   9.189
  216   1H5*    A  21          1H5*        A  21   2.648   1.143  10.801
  217   2H5*    A  21          2H5*        A  21   2.355  -0.582  11.108
  218    H4*    A  21           H4*        A  21   0.376   0.734  11.713
  219    H3*    A  21           H3*        A  21   0.088  -1.027   9.258
  220    H2*    A  21           H2*        A  21  -2.257  -0.453   9.293
  221   2HO*    A  21          2HO*        A  21  -2.518  -0.464  11.598
  222    H1*    A  21           H1*        A  21  -1.820   2.206   9.609
  223    H8     A  21           H8         A  21   1.081   1.068   7.512
  224   1H6     A  21          1H6         A  21  -2.875   1.162   2.714
  225   2H6     A  21          2H6         A  21  -1.190   0.985   3.167
  226    H2     A  21           H2         A  21  -5.212   1.623   6.448
  227   1H5*    U  22          1H5*        U  22  -3.365  -4.490   9.938
  228   2H5*    U  22          2H5*        U  22  -2.684  -3.562   8.588
  229    H4*    U  22           H4*        U  22  -5.164  -2.739  10.172
  230    H3*    U  22           H3*        U  22  -4.738  -4.345   7.650
  231    H2*    U  22           H2*        U  22  -6.762  -3.356   6.744
  232   2HO*    U  22          2HO*        U  22  -7.847  -3.286   8.873
  233    H1*    U  22           H1*        U  22  -6.057  -0.827   7.339
  234    H3     U  22           H3         U  22  -5.150  -1.911   2.905
  235    H5     U  22           H5         U  22  -1.547  -2.278   5.039
  236    H6     U  22           H6         U  22  -2.797  -2.061   7.095
  237   1H5*    U  23          1H5*        U  23  -8.651  -4.559   8.004
  238   2H5*    U  23          2H5*        U  23  -9.242  -6.231   8.078
  239    H4*    U  23           H4*        U  23 -10.360  -4.964   6.263
  240    H3*    U  23           H3*        U  23  -8.447  -7.161   5.424
  241    H2*    U  23           H2*        U  23  -9.255  -6.816   3.191
  242   2HO*    U  23          2HO*        U  23 -11.493  -6.670   3.777
  243    H1*    U  23           H1*        U  23  -9.467  -4.026   3.471
  244    H3     U  23           H3         U  23  -6.509  -5.098   0.119
  245    H5     U  23           H5         U  23  -4.277  -5.088   3.680
  246    H6     U  23           H6         U  23  -6.342  -4.946   4.922
  247   1H5*    U  24          1H5*        U  24 -10.193 -10.988   3.384
  248   2H5*    U  24          2H5*        U  24  -8.861  -9.815   3.328
  249    H4*    U  24           H4*        U  24 -11.258  -9.816   1.435
  250    H3*    U  24           H3*        U  24  -8.446 -10.912   1.215
  251    H2*    U  24           H2*        U  24  -8.594 -10.442  -1.174
  252   2HO*    U  24          2HO*        U  24 -10.526  -9.561  -2.023
  253    H1*    U  24           H1*        U  24  -9.377  -7.891  -0.759
  254    H3     U  24           H3         U  24  -4.854  -8.201  -1.619
  255    H5     U  24           H5         U  24  -5.242  -8.319   2.557
  256    H6     U  24           H6         U  24  -7.635  -8.524   2.273
  257   1H5*    G  25          1H5*        G  25 -10.705 -12.396  -1.975
  258   2H5*    G  25          2H5*        G  25 -10.452 -14.131  -2.241
  259    H4*    G  25           H4*        G  25 -10.132 -12.870  -4.327
  260    H3*    G  25           H3*        G  25  -7.598 -14.067  -3.155
  261    H2*    G  25           H2*        G  25  -6.589 -13.466  -5.287
  262   2HO*    G  25          2HO*        G  25  -8.479 -13.914  -6.594
  263    H1*    G  25           H1*        G  25  -7.554 -10.939  -5.216
  264    H8     G  25           H8         G  25  -7.056 -11.688  -1.585
  265    H1     G  25           H1         G  25  -1.546 -10.716  -4.731
  266   1H2     G  25          1H2         G  25  -1.911 -10.781  -6.921
  267   2H2     G  25          2H2         G  25  -3.513 -11.044  -7.582
  268   1H5*    G  26          1H5*        G  26  -8.068 -15.526  -7.095
  269   2H5*    G  26          2H5*        G  26  -7.656 -17.248  -7.214
  270    H4*    G  26           H4*        G  26  -6.358 -15.922  -8.836
  271    H3*    G  26           H3*        G  26  -4.768 -17.113  -6.563
  272    H2*    G  26           H2*        G  26  -2.802 -16.395  -7.893
  273   2HO*    G  26          2HO*        G  26  -3.134 -15.460  -9.928
  274    H1*    G  26           H1*        G  26  -3.754 -13.908  -8.232
  275    H8     G  26           H8         G  26  -5.177 -14.805  -4.880
  276    H1     G  26           H1         G  26   1.062 -13.302  -4.734
  277   1H2     G  26          1H2         G  26   1.889 -13.299  -6.797
  278   2H2     G  26          2H2         G  26   0.880 -13.633  -8.191
  279   1H5*    C  27          1H5*        C  27  -3.180 -18.472 -10.153
  280   2H5*    C  27          2H5*        C  27  -2.713 -20.188 -10.132
  281    H4*    C  27           H4*        C  27  -0.770 -18.798 -10.704
  282    H3*    C  27           H3*        C  27  -0.676 -20.000  -7.918
  283    H2*    C  27           H2*        C  27   1.612 -19.185  -7.849
  284   2HO*    C  27          2HO*        C  27   2.520 -18.199  -9.688
  285    H1*    C  27           H1*        C  27   0.924 -16.703  -8.745
  286   1H4     C  27          1H4         C  27   0.403 -16.400  -2.431
  287   2H4     C  27          2H4         C  27  -1.308 -16.756  -2.554
  288    H5     C  27           H5         C  27  -2.389 -17.365  -4.681
  289    H6     C  27           H6         C  27  -1.998 -17.806  -7.010
  290   1H5*    C  28          1H5*        C  28   2.836 -21.071  -9.818
  291   2H5*    C  28          2H5*        C  28   3.340 -22.744  -9.500
  292    H4*    C  28           H4*        C  28   5.116 -21.178  -8.846
  293    H3*    C  28           H3*        C  28   3.688 -22.511  -6.521
  294    H2*    C  28           H2*        C  28   5.422 -21.548  -5.136
  295   2HO*    C  28          2HO*        C  28   7.162 -21.872  -6.664
  296    H1*    C  28           H1*        C  28   5.264 -19.080  -6.312
  297   1H4     C  28          1H4         C  28   1.404 -19.142  -1.267
  298   2H4     C  28          2H4         C  28   0.070 -19.716  -2.251
  299    H5     C  28           H5         C  28   0.343 -20.314  -4.618
  300    H6     C  28           H6         C  28   1.935 -20.488  -6.429
  301    H3T    C  28           H3T        C  28   5.547 -23.850  -6.655
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   9.015 -15.410   7.186
    2   2H5*    G   1          2H5*        G   1   8.895 -13.669   6.864
    3    H4*    G   1           H4*        G   1  10.581 -14.612   5.407
    4    H3*    G   1           H3*        G   1   8.013 -13.930   3.941
    5    H2*    G   1           H2*        G   1   9.275 -14.393   1.912
    6   2HO*    G   1          2HO*        G   1  11.319 -13.533   2.742
    7    H1*    G   1           H1*        G   1  10.196 -16.763   2.822
    8    H8     G   1           H8         G   1   6.905 -16.540   4.554
    9    H1     G   1           H1         G   1   6.331 -17.697  -1.731
   10   1H2     G   1          1H2         G   1   8.273 -17.337  -2.743
   11   2H2     G   1          2H2         G   1   9.704 -16.860  -1.850
   12    H5T    G   1           H5T        G   1   6.837 -14.669   7.001
   13   1H5*    G   2          1H5*        G   2  11.096 -12.095   1.830
   14   2H5*    G   2          2H5*        G   2  10.682 -10.430   1.383
   15    H4*    G   2           H4*        G   2  11.332 -11.734  -0.601
   16    H3*    G   2           H3*        G   2   8.402 -10.973  -0.443
   17    H2*    G   2           H2*        G   2   8.309 -11.734  -2.779
   18   2HO*    G   2          2HO*        G   2  10.223 -12.412  -3.802
   19    H1*    G   2           H1*        G   2   9.578 -14.059  -2.227
   20    H8     G   2           H8         G   2   7.703 -13.453   0.950
   21    H1     G   2           H1         G   2   3.918 -15.297  -3.900
   22   1H2     G   2          1H2         G   2   5.040 -15.200  -5.812
   23   2H2     G   2          2H2         G   2   6.712 -14.677  -5.872
   24   1H5*    C   3          1H5*        C   3   9.933  -9.627  -3.964
   25   2H5*    C   3          2H5*        C   3   9.378  -8.017  -4.465
   26    H4*    C   3           H4*        C   3   8.878  -9.728  -6.184
   27    H3*    C   3           H3*        C   3   6.464  -8.555  -4.766
   28    H2*    C   3           H2*        C   3   5.167  -9.713  -6.497
   29   2HO*    C   3          2HO*        C   3   6.713  -9.360  -8.219
   30    H1*    C   3           H1*        C   3   6.535 -12.053  -6.145
   31   1H4     C   3          1H4         C   3   1.638 -12.224  -2.103
   32   2H4     C   3          2H4         C   3   2.672 -11.632  -0.817
   33    H5     C   3           H5         C   3   4.972 -10.887  -1.214
   34    H6     C   3           H6         C   3   6.684 -10.602  -2.896
   35   1H5*    C   4          1H5*        C   4   5.964  -7.858  -8.795
   36   2H5*    C   4          2H5*        C   4   5.246  -6.271  -9.149
   37    H4*    C   4           H4*        C   4   3.841  -8.100 -10.032
   38    H3*    C   4           H3*        C   4   2.653  -6.620  -7.659
   39    H2*    C   4           H2*        C   4   0.612  -7.827  -8.256
   40   2HO*    C   4          2HO*        C   4   0.925  -7.772 -10.564
   41    H1*    C   4           H1*        C   4   1.916 -10.208  -8.440
   42   1H4     C   4          1H4         C   4  -0.126  -9.716  -2.470
   43   2H4     C   4          2H4         C   4   1.330  -8.861  -1.995
   44    H5     C   4           H5         C   4   3.054  -8.198  -3.613
   45    H6     C   4           H6         C   4   3.666  -8.220  -5.955
   46   1H5*    A   5          1H5*        A   5   0.027  -6.435 -11.001
   47   2H5*    A   5          2H5*        A   5  -0.932  -4.941 -11.029
   48    H4*    A   5           H4*        A   5  -2.344  -7.014 -10.977
   49    H3*    A   5           H3*        A   5  -2.493  -5.184  -8.564
   50    H2*    A   5           H2*        A   5  -4.377  -6.594  -7.889
   51   2HO*    A   5          2HO*        A   5  -5.126  -6.955 -10.118
   52    H1*    A   5           H1*        A   5  -2.990  -8.893  -8.293
   53    H8     A   5           H8         A   5  -0.330  -6.537  -7.085
   54   1H6     A   5          1H6         A   5  -2.770  -7.475  -1.419
   55   2H6     A   5          2H6         A   5  -1.387  -6.809  -2.271
   56    H2     A   5           H2         A   5  -5.590  -9.047  -4.429
   57   1H5*    U   6          1H5*        U   6  -6.353  -5.953  -9.236
   58   2H5*    U   6          2H5*        U   6  -7.277  -4.448  -9.385
   59    H4*    U   6           H4*        U   6  -8.283  -5.863  -7.663
   60    H3*    U   6           H3*        U   6  -6.810  -3.448  -6.569
   61    H2*    U   6           H2*        U   6  -7.947  -3.995  -4.478
   62   2HO*    U   6          2HO*        U   6  -9.948  -4.693  -5.483
   63    H1*    U   6           H1*        U   6  -7.307  -6.655  -4.672
   64    H3     U   6           H3         U   6  -4.598  -4.902  -1.454
   65    H5     U   6           H5         U   6  -2.785  -3.796  -5.084
   66    H6     U   6           H6         U   6  -4.722  -4.654  -6.247
   67   1H5*    C   7          1H5*        C   7 -10.933  -3.346  -5.256
   68   2H5*    C   7          2H5*        C   7 -11.520  -1.679  -5.405
   69    H4*    C   7           H4*        C   7 -11.983  -2.523  -3.152
   70    H3*    C   7           H3*        C   7  -9.748  -0.473  -3.252
   71    H2*    C   7           H2*        C   7 -10.021  -0.413  -0.838
   72   2HO*    C   7          2HO*        C   7 -11.724  -1.546   0.141
   73    H1*    C   7           H1*        C   7 -10.181  -3.175  -0.658
   74   1H4     C   7          1H4         C   7  -4.099  -1.848   0.472
   75   2H4     C   7          2H4         C   7  -3.769  -1.699  -1.243
   76    H5     C   7           H5         C   7  -5.528  -1.790  -2.938
   77    H6     C   7           H6         C   7  -7.900  -2.095  -3.301
   78   1H5*    U   8          1H5*        U   8 -13.039   0.789  -0.731
   79   2H5*    U   8          2H5*        U   8 -13.283   2.543  -0.837
   80    H4*    U   8           H4*        U   8 -13.060   1.835   1.513
   81    H3*    U   8           H3*        U   8 -10.718   3.434   0.432
   82    H2*    U   8           H2*        U   8  -9.969   3.501   2.745
   83   2HO*    U   8          2HO*        U   8 -12.177   3.696   3.612
   84    H1*    U   8           H1*        U   8 -10.459   0.858   3.192
   85    H3     U   8           H3         U   8  -5.987   0.903   3.023
   86    H5     U   8           H5         U   8  -7.089   1.668  -0.956
   87    H6     U   8           H6         U   8  -9.399   1.751  -0.237
   88   1H5*    U   9          1H5*        U   9 -12.028   5.171   4.053
   89   2H5*    U   9          2H5*        U   9 -11.827   6.929   4.068
   90    H4*    U   9           H4*        U   9 -10.585   5.730   5.903
   91    H3*    U   9           H3*        U   9  -8.928   7.278   3.893
   92    H2*    U   9           H2*        U   9  -7.108   6.901   5.481
   93   2HO*    U   9          2HO*        U   9  -7.518   5.889   7.459
   94    H1*    U   9           H1*        U   9  -7.682   4.243   5.736
   95    H3     U   9           H3         U   9  -3.959   4.415   3.135
   96    H5     U   9           H5         U   9  -7.096   5.397   0.521
   97    H6     U   9           H6         U   9  -8.592   5.457   2.419
   98   1H5*    C  10          1H5*        C  10  -8.349   8.392   8.029
   99   2H5*    C  10          2H5*        C  10  -8.062  10.127   8.236
  100    H4*    C  10           H4*        C  10  -6.336   8.772   9.381
  101    H3*    C  10           H3*        C  10  -5.352  10.363   6.992
  102    H2*    C  10           H2*        C  10  -3.131   9.757   7.806
  103   2HO*    C  10          2HO*        C  10  -2.915   8.595   9.741
  104    H1*    C  10           H1*        C  10  -3.773   7.138   8.087
  105   1H4     C  10          1H4         C  10  -1.675   7.778   2.135
  106   2H4     C  10          2H4         C  10  -3.296   8.126   1.569
  107    H5     C  10           H5         C  10  -5.191   8.412   3.097
  108    H6     C  10           H6         C  10  -5.858   8.401   5.418
  109   1H5*    U  11          1H5*        U  11  -3.167  11.173  10.535
  110   2H5*    U  11          2H5*        U  11  -2.717  12.876  10.727
  111    H4*    U  11           H4*        U  11  -0.760  11.386  10.958
  112    H3*    U  11           H3*        U  11  -0.765  13.172   8.504
  113    H2*    U  11           H2*        U  11   1.541  12.460   8.238
  114   2HO*    U  11          2HO*        U  11   2.505  11.127   9.814
  115    H1*    U  11           H1*        U  11   0.961   9.829   8.594
  116    H3     U  11           H3         U  11   1.610  10.566   4.115
  117    H5     U  11           H5         U  11  -2.470  11.313   4.811
  118    H6     U  11           H6         U  11  -2.024  11.215   7.176
  119   1H5*    C  12          1H5*        C  12   2.827  13.727  10.490
  120   2H5*    C  12          2H5*        C  12   3.269  15.444  10.588
  121    H4*    C  12           H4*        C  12   5.071  14.157   9.496
  122    H3*    C  12           H3*        C  12   3.488  16.035   7.715
  123    H2*    C  12           H2*        C  12   5.108  15.545   6.001
  124   2HO*    C  12          2HO*        C  12   6.933  15.549   7.521
  125    H1*    C  12           H1*        C  12   5.206  12.840   6.543
  126   1H4     C  12          1H4         C  12   1.262  13.769   1.664
  127   2H4     C  12          2H4         C  12  -0.091  14.028   2.752
  128    H5     C  12           H5         C  12   0.186  14.127   5.190
  129    H6     C  12           H6         C  12   1.789  13.994   6.994
  130   1H5*    U  13          1H5*        U  13   6.859  17.129   6.343
  131   2H5*    U  13          2H5*        U  13   7.033  18.897   6.381
  132    H4*    U  13           H4*        U  13   7.109  18.120   4.068
  133    H3*    U  13           H3*        U  13   4.543  19.551   4.812
  134    H2*    U  13           H2*        U  13   4.056  19.535   2.451
  135   2HO*    U  13          2HO*        U  13   6.640  18.375   2.064
  136    H1*    U  13           H1*        U  13   4.785  16.910   2.122
  137    H3     U  13           H3         U  13   0.215  17.124   1.909
  138    H5     U  13           H5         U  13   1.095  17.241   6.015
  139    H6     U  13           H6         U  13   3.443  17.396   5.448
  140   1H5*    U  14          1H5*        U  14   7.296  23.960   2.472
  141   2H5*    U  14          2H5*        U  14   5.819  23.938   1.491
  142    H4*    U  14           H4*        U  14   7.686  24.292   0.028
  143    H3*    U  14           H3*        U  14   5.901  22.283  -0.477
  144    H2*    U  14           H2*        U  14   7.162  20.567   0.576
  145   2HO*    U  14          2HO*        U  14   8.061  20.659  -2.127
  146    H1*    U  14           H1*        U  14   9.657  21.635  -0.740
  147    H3     U  14           H3         U  14  12.539  18.988   1.482
  148    H5     U  14           H5         U  14   9.091  18.824   3.878
  149    H6     U  14           H6         U  14   8.050  20.420   2.382
  150   1H5*    C  15          1H5*        C  15   6.465  21.049  -3.604
  151   2H5*    C  15          2H5*        C  15   6.108  22.028  -5.038
  152    H4*    C  15           H4*        C  15   4.969  19.920  -5.169
  153    H3*    C  15           H3*        C  15   3.619  22.257  -5.650
  154    H2*    C  15           H2*        C  15   2.956  22.503  -3.324
  155   2HO*    C  15          2HO*        C  15   1.089  22.691  -4.695
  156    H1*    C  15           H1*        C  15   2.076  19.603  -3.462
  157   1H4     C  15          1H4         C  15   1.006  20.670   2.729
  158   2H4     C  15          2H4         C  15   2.544  21.506   2.892
  159    H5     C  15           H5         C  15   4.000  21.982   1.008
  160    H6     C  15           H6         C  15   4.314  21.649  -1.385
  161   1H5*    G  16          1H5*        G  16   2.099  16.757  -7.544
  162   2H5*    G  16          2H5*        G  16   2.259  17.697  -6.050
  163    H4*    G  16           H4*        G  16   4.599  17.486  -7.961
  164    H3*    G  16           H3*        G  16   3.859  15.450  -5.826
  165    H2*    G  16           H2*        G  16   6.241  15.080  -5.778
  166   2HO*    G  16          2HO*        G  16   6.433  15.175  -8.151
  167    H1*    G  16           H1*        G  16   6.796  17.812  -6.217
  168    H8     G  16           H8         G  16   8.496  17.007  -4.454
  169    H1     G  16           H1         G  16   3.954  16.717   0.049
  170   1H2     G  16          1H2         G  16   1.991  16.940  -0.832
  171   2H2     G  16          2H2         G  16   1.735  17.104  -2.562
  172   1H5*    G  17          1H5*        G  17   6.788  13.481  -7.432
  173   2H5*    G  17          2H5*        G  17   6.449  11.744  -7.515
  174    H4*    G  17           H4*        G  17   8.327  12.209  -5.988
  175    H3*    G  17           H3*        G  17   5.792  11.225  -4.660
  176    H2*    G  17           H2*        G  17   7.165  11.053  -2.614
  177   2HO*    G  17          2HO*        G  17   9.147  10.442  -3.714
  178    H1*    G  17           H1*        G  17   8.069  13.589  -2.847
  179    H8     G  17           H8         G  17   4.729  13.802  -4.524
  180    H1     G  17           H1         G  17   4.257  13.350   1.855
  181   1H2     G  17          1H2         G  17   6.238  12.898   2.728
  182   2H2     G  17          2H2         G  17   7.664  12.669   1.735
  183   1H5*    A  18          1H5*        A  18   8.969   8.794  -3.494
  184   2H5*    A  18          2H5*        A  18   8.538   7.078  -3.368
  185    H4*    A  18           H4*        A  18   9.441   7.970  -1.229
  186    H3*    A  18           H3*        A  18   6.513   7.186  -1.237
  187    H2*    A  18           H2*        A  18   6.661   7.470   1.189
  188   2HO*    A  18          2HO*        A  18   8.650   8.001   2.143
  189    H1*    A  18           H1*        A  18   7.781   9.921   0.975
  190    H8     A  18           H8         A  18   5.643   9.811  -2.080
  191   1H6     A  18          1H6         A  18   0.777  10.754   1.666
  192   2H6     A  18          2H6         A  18   1.306  10.691  -0.004
  193    H2     A  18           H2         A  18   4.320   9.891   4.193
  194   1H5*    G  19          1H5*        G  19   8.683   5.265   1.792
  195   2H5*    G  19          2H5*        G  19   8.152   3.612   2.155
  196    H4*    G  19           H4*        G  19   8.162   5.097   4.155
  197    H3*    G  19           H3*        G  19   5.448   4.058   3.273
  198    H2*    G  19           H2*        G  19   4.660   4.975   5.390
  199   2HO*    G  19          2HO*        G  19   6.641   4.535   6.591
  200    H1*    G  19           H1*        G  19   5.756   7.400   4.894
  201    H8     G  19           H8         G  19   5.124   6.289   1.407
  202    H1     G  19           H1         G  19  -0.323   7.486   4.569
  203   1H2     G  19          1H2         G  19   0.075   7.584   6.754
  204   2H2     G  19          2H2         G  19   1.701   7.443   7.398
  205   1H5*    G  20          1H5*        G  20   5.965   3.199   7.312
  206   2H5*    G  20          2H5*        G  20   5.539   1.514   7.670
  207    H4*    G  20           H4*        G  20   4.352   3.081   9.174
  208    H3*    G  20           H3*        G  20   2.656   1.578   7.161
  209    H2*    G  20           H2*        G  20   0.750   2.444   8.419
  210   2HO*    G  20          2HO*        G  20   1.121   3.695  10.293
  211    H1*    G  20           H1*        G  20   1.698   4.982   8.410
  212    H8     G  20           H8         G  20   2.931   3.850   5.086
  213    H1     G  20           H1         G  20  -3.469   4.422   5.319
  214   1H2     G  20          1H2         G  20  -4.132   4.622   7.417
  215   2H2     G  20          2H2         G  20  -2.994   4.642   8.748
  216   1H5*    A  21          1H5*        A  21   0.912   1.071  10.884
  217   2H5*    A  21          2H5*        A  21   0.551  -0.638  11.193
  218    H4*    A  21           H4*        A  21  -1.446   0.742  11.567
  219    H3*    A  21           H3*        A  21  -1.517  -1.107   9.164
  220    H2*    A  21           H2*        A  21  -3.837  -0.492   8.916
  221   2HO*    A  21          2HO*        A  21  -4.343  -0.428  11.180
  222    H1*    A  21           H1*        A  21  -3.402   2.169   9.203
  223    H8     A  21           H8         A  21  -0.304   0.996   7.451
  224   1H6     A  21          1H6         A  21  -3.740   0.966   2.263
  225   2H6     A  21          2H6         A  21  -2.108   0.830   2.890
  226    H2     A  21           H2         A  21  -6.453   1.460   5.728
  227   1H5*    U  22          1H5*        U  22  -4.868  -4.563   9.481
  228   2H5*    U  22          2H5*        U  22  -4.090  -3.572   8.234
  229    H4*    U  22           H4*        U  22  -6.777  -2.894   9.515
  230    H3*    U  22           H3*        U  22  -5.986  -4.537   7.117
  231    H2*    U  22           H2*        U  22  -7.940  -3.718   5.953
  232   2HO*    U  22          2HO*        U  22  -9.423  -2.351   7.042
  233    H1*    U  22           H1*        U  22  -7.493  -1.122   6.565
  234    H3     U  22           H3         U  22  -6.109  -2.221   2.262
  235    H5     U  22           H5         U  22  -2.701  -2.301   4.721
  236    H6     U  22           H6         U  22  -4.143  -2.128   6.650
  237   1H5*    U  23          1H5*        U  23  -9.867  -4.988   7.147
  238   2H5*    U  23          2H5*        U  23 -10.385  -6.684   7.243
  239    H4*    U  23           H4*        U  23 -11.396  -5.543   5.281
  240    H3*    U  23           H3*        U  23  -9.323  -7.688   4.729
  241    H2*    U  23           H2*        U  23  -9.886  -7.464   2.417
  242   2HO*    U  23          2HO*        U  23 -12.185  -7.474   2.778
  243    H1*    U  23           H1*        U  23 -10.381  -4.679   2.578
  244    H3     U  23           H3         U  23  -7.163  -5.526  -0.593
  245    H5     U  23           H5         U  23  -5.135  -5.244   3.073
  246    H6     U  23           H6         U  23  -7.267  -5.286   4.208
  247   1H5*    U  24          1H5*        U  24 -10.185 -11.675   3.106
  248   2H5*    U  24          2H5*        U  24  -9.192 -10.208   2.977
  249    H4*    U  24           H4*        U  24 -11.302 -11.021   0.932
  250    H3*    U  24           H3*        U  24  -8.328 -11.566   1.056
  251    H2*    U  24           H2*        U  24  -8.371 -11.484  -1.384
  252   2HO*    U  24          2HO*        U  24 -11.198 -11.137  -1.073
  253    H1*    U  24           H1*        U  24  -9.635  -9.103  -1.418
  254    H3     U  24           H3         U  24  -5.097  -8.654  -2.022
  255    H5     U  24           H5         U  24  -5.708  -8.391   2.122
  256    H6     U  24           H6         U  24  -8.013  -9.022   1.764
  257   1H5*    G  25          1H5*        G  25 -10.089 -13.913  -1.953
  258   2H5*    G  25          2H5*        G  25  -9.459 -15.571  -2.006
  259    H4*    G  25           H4*        G  25  -9.347 -14.491  -4.216
  260    H3*    G  25           H3*        G  25  -6.655 -15.016  -2.914
  261    H2*    G  25           H2*        G  25  -5.751 -14.461  -5.115
  262   2HO*    G  25          2HO*        G  25  -7.494 -15.401  -6.359
  263    H1*    G  25           H1*        G  25  -7.191 -12.180  -5.294
  264    H8     G  25           H8         G  25  -6.612 -12.475  -1.605
  265    H1     G  25           H1         G  25  -1.351 -10.751  -4.853
  266   1H2     G  25          1H2         G  25  -1.685 -11.042  -7.030
  267   2H2     G  25          2H2         G  25  -3.209 -11.642  -7.656
  268   1H5*    G  26          1H5*        G  26  -6.836 -16.919  -6.689
  269   2H5*    G  26          2H5*        G  26  -6.030 -18.501  -6.703
  270    H4*    G  26           H4*        G  26  -5.136 -16.992  -8.456
  271    H3*    G  26           H3*        G  26  -3.236 -17.711  -6.222
  272    H2*    G  26           H2*        G  26  -1.530 -16.635  -7.674
  273   2HO*    G  26          2HO*        G  26  -2.153 -15.863  -9.706
  274    H1*    G  26           H1*        G  26  -3.003 -14.427  -8.014
  275    H8     G  26           H8         G  26  -4.120 -15.452  -4.593
  276    H1     G  26           H1         G  26   1.734 -12.826  -4.704
  277   1H2     G  26          1H2         G  26   2.491 -12.752  -6.790
  278   2H2     G  26          2H2         G  26   1.524 -13.312  -8.140
  279   1H5*    C  27          1H5*        C  27  -1.581 -18.765  -9.886
  280   2H5*    C  27          2H5*        C  27  -0.737 -20.331  -9.893
  281    H4*    C  27           H4*        C  27   0.781 -18.532 -10.616
  282    H3*    C  27           H3*        C  27   1.368 -19.692  -7.875
  283    H2*    C  27           H2*        C  27   3.412 -18.365  -7.955
  284   2HO*    C  27          2HO*        C  27   3.780 -18.654 -10.250
  285    H1*    C  27           H1*        C  27   2.117 -16.105  -8.743
  286   1H4     C  27          1H4         C  27   1.951 -15.918  -2.402
  287   2H4     C  27          2H4         C  27   0.339 -16.601  -2.433
  288    H5     C  27           H5         C  27  -0.718 -17.427  -4.501
  289    H6     C  27           H6         C  27  -0.377 -17.792  -6.846
  290   1H5*    C  28          1H5*        C  28   4.936 -20.061 -10.061
  291   2H5*    C  28          2H5*        C  28   5.750 -21.609  -9.762
  292    H4*    C  28           H4*        C  28   7.238 -19.726  -9.220
  293    H3*    C  28           H3*        C  28   6.235 -21.298  -6.825
  294    H2*    C  28           H2*        C  28   7.841 -20.033  -5.538
  295   2HO*    C  28          2HO*        C  28   9.293 -18.622  -6.602
  296    H1*    C  28           H1*        C  28   7.137 -17.635  -6.669
  297   1H4     C  28          1H4         C  28   3.660 -18.473  -1.412
  298   2H4     C  28          2H4         C  28   2.389 -19.242  -2.344
  299    H5     C  28           H5         C  28   2.631 -19.744  -4.738
  300    H6     C  28           H6         C  28   4.126 -19.608  -6.631
  301    H3T    C  28           H3T        C  28   8.737 -21.296  -8.195
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   5.710 -17.814   7.512
    2   2H5*    G   1          2H5*        G   1   6.179 -16.127   7.223
    3    H4*    G   1           H4*        G   1   7.643 -17.571   5.943
    4    H3*    G   1           H3*        G   1   5.608 -16.113   4.229
    5    H2*    G   1           H2*        G   1   6.861 -16.976   2.332
    6   2HO*    G   1          2HO*        G   1   8.969 -16.802   3.390
    7    H1*    G   1           H1*        G   1   6.894 -19.510   3.269
    8    H8     G   1           H8         G   1   3.667 -18.287   4.661
    9    H1     G   1           H1         G   1   3.423 -19.244  -1.680
   10   1H2     G   1          1H2         G   1   5.478 -19.476  -2.485
   11   2H2     G   1          2H2         G   1   6.887 -19.426  -1.445
   12    H5T    G   1           H5T        G   1   3.909 -16.432   7.104
   13   1H5*    G   2          1H5*        G   2   9.356 -15.380   2.515
   14   2H5*    G   2          2H5*        G   2   9.558 -13.659   2.141
   15    H4*    G   2           H4*        G   2  10.002 -15.028   0.151
   16    H3*    G   2           H3*        G   2   7.467 -13.370   0.085
   17    H2*    G   2           H2*        G   2   7.346 -13.998  -2.290
   18   2HO*    G   2          2HO*        G   2   9.660 -13.916  -2.650
   19    H1*    G   2           H1*        G   2   7.807 -16.618  -1.800
   20    H8     G   2           H8         G   2   5.887 -15.557   1.240
   21    H1     G   2           H1         G   2   2.216 -16.277  -3.979
   22   1H2     G   2          1H2         G   2   3.495 -16.438  -5.785
   23   2H2     G   2          2H2         G   2   5.245 -16.373  -5.686
   24   1H5*    C   3          1H5*        C   3   9.689 -12.253  -3.249
   25   2H5*    C   3          2H5*        C   3   9.618 -10.506  -3.563
   26    H4*    C   3           H4*        C   3   8.770 -11.796  -5.491
   27    H3*    C   3           H3*        C   3   6.658 -10.232  -3.968
   28    H2*    C   3           H2*        C   3   5.199 -10.797  -5.843
   29   2HO*    C   3          2HO*        C   3   6.051 -11.912  -7.633
   30    H1*    C   3           H1*        C   3   5.936 -13.438  -5.799
   31   1H4     C   3          1H4         C   3   0.935 -12.914  -1.919
   32   2H4     C   3          2H4         C   3   2.004 -12.654  -0.555
   33    H5     C   3           H5         C   3   4.425 -12.396  -0.805
   34    H6     C   3           H6         C   3   6.243 -12.359  -2.399
   35   1H5*    C   4          1H5*        C   4   6.499  -8.997  -7.899
   36   2H5*    C   4          2H5*        C   4   6.194  -7.255  -8.081
   37    H4*    C   4           H4*        C   4   4.431  -8.581  -9.193
   38    H3*    C   4           H3*        C   4   3.507  -7.169  -6.667
   39    H2*    C   4           H2*        C   4   1.278  -7.808  -7.427
   40   2HO*    C   4          2HO*        C   4   1.024  -8.853  -9.425
   41    H1*    C   4           H1*        C   4   2.034 -10.388  -7.887
   42   1H4     C   4          1H4         C   4  -0.090 -10.027  -1.925
   43   2H4     C   4          2H4         C   4   1.498  -9.570  -1.341
   44    H5     C   4           H5         C   4   3.395  -9.174  -2.854
   45    H6     C   4           H6         C   4   4.080  -9.115  -5.172
   46   1H5*    A   5          1H5*        A   5   1.034  -6.098  -9.931
   47   2H5*    A   5          2H5*        A   5   0.408  -4.442  -9.814
   48    H4*    A   5           H4*        A   5  -1.390  -6.177  -9.992
   49    H3*    A   5           H3*        A   5  -1.279  -4.589  -7.412
   50    H2*    A   5           H2*        A   5  -3.406  -5.692  -6.891
   51   2HO*    A   5          2HO*        A   5  -4.127  -5.718  -9.165
   52    H1*    A   5           H1*        A   5  -2.446  -8.154  -7.463
   53    H8     A   5           H8         A   5   0.619  -6.485  -6.117
   54   1H6     A   5          1H6         A   5  -1.991  -7.198  -0.503
   55   2H6     A   5          2H6         A   5  -0.494  -6.799  -1.329
   56    H2     A   5           H2         A   5  -5.080  -7.927  -3.573
   57   1H5*    U   6          1H5*        U   6  -5.230  -4.692  -8.187
   58   2H5*    U   6          2H5*        U   6  -5.913  -3.057  -8.207
   59    H4*    U   6           H4*        U   6  -7.161  -4.506  -6.659
   60    H3*    U   6           H3*        U   6  -5.503  -2.340  -5.339
   61    H2*    U   6           H2*        U   6  -6.748  -2.919  -3.321
   62   2HO*    U   6          2HO*        U   6  -8.413  -4.471  -3.434
   63    H1*    U   6           H1*        U   6  -6.360  -5.608  -3.675
   64    H3     U   6           H3         U   6  -3.538  -4.284  -0.327
   65    H5     U   6           H5         U   6  -1.518  -3.364  -3.896
   66    H6     U   6           H6         U   6  -3.538  -3.880  -5.107
   67   1H5*    C   7          1H5*        C   7  -9.576  -2.152  -4.106
   68   2H5*    C   7          2H5*        C   7 -10.156  -0.474  -4.134
   69    H4*    C   7           H4*        C   7 -10.665  -1.514  -1.964
   70    H3*    C   7           H3*        C   7  -8.508   0.617  -1.929
   71    H2*    C   7           H2*        C   7  -8.657   0.477   0.486
   72   2HO*    C   7          2HO*        C   7 -10.950   0.269   0.618
   73    H1*    C   7           H1*        C   7  -8.802  -2.275   0.523
   74   1H4     C   7          1H4         C   7  -2.671  -1.057   1.506
   75   2H4     C   7          2H4         C   7  -2.400  -0.844  -0.214
   76    H5     C   7           H5         C   7  -4.207  -0.875  -1.849
   77    H6     C   7           H6         C   7  -6.591  -1.136  -2.150
   78   1H5*    U   8          1H5*        U   8 -11.906   1.589   0.763
   79   2H5*    U   8          2H5*        U   8 -12.178   3.344   0.747
   80    H4*    U   8           H4*        U   8 -11.894   2.497   3.062
   81    H3*    U   8           H3*        U   8  -9.697   4.289   1.989
   82    H2*    U   8           H2*        U   8  -8.804   4.261   4.246
   83   2HO*    U   8          2HO*        U   8 -10.949   4.311   5.260
   84    H1*    U   8           H1*        U   8  -9.166   1.582   4.605
   85    H3     U   8           H3         U   8  -4.715   1.704   4.195
   86    H5     U   8           H5         U   8  -6.047   2.611   0.317
   87    H6     U   8           H6         U   8  -8.308   2.668   1.172
   88   1H5*    U   9          1H5*        U   9 -10.953   5.713   5.801
   89   2H5*    U   9          2H5*        U   9 -10.873   7.478   5.906
   90    H4*    U   9           H4*        U   9  -9.441   6.305   7.605
   91    H3*    U   9           H3*        U   9  -8.070   8.052   5.549
   92    H2*    U   9           H2*        U   9  -6.058   7.724   6.856
   93   2HO*    U   9          2HO*        U   9  -7.028   7.848   8.936
   94    H1*    U   9           H1*        U   9  -6.459   5.025   7.180
   95    H3     U   9           H3         U   9  -3.106   4.985   4.160
   96    H5     U   9           H5         U   9  -6.358   6.519   1.989
   97    H6     U   9           H6         U   9  -7.645   6.537   4.030
   98   1H5*    C  10          1H5*        C  10  -5.886  11.719   8.717
   99   2H5*    C  10          2H5*        C  10  -5.317  10.840   7.291
  100    H4*    C  10           H4*        C  10  -4.736  10.158  10.208
  101    H3*    C  10           H3*        C  10  -3.228  11.371   7.900
  102    H2*    C  10           H2*        C  10  -1.213  10.215   8.560
  103   2HO*    C  10          2HO*        C  10  -1.611  10.449  10.872
  104    H1*    C  10           H1*        C  10  -2.363   7.812   8.864
  105   1H4     C  10          1H4         C  10  -1.093   8.143   2.638
  106   2H4     C  10          2H4         C  10  -2.767   8.561   2.330
  107    H5     C  10           H5         C  10  -4.367   9.006   4.125
  108    H6     C  10           H6         C  10  -4.648   9.127   6.517
  109   1H5*    U  11          1H5*        U  11  -0.485  11.856  10.990
  110   2H5*    U  11          2H5*        U  11   0.105  13.530  11.058
  111    H4*    U  11           H4*        U  11   1.988  11.980  10.830
  112    H3*    U  11           H3*        U  11   1.406  13.646   8.360
  113    H2*    U  11           H2*        U  11   3.514  12.784   7.516
  114   2HO*    U  11          2HO*        U  11   4.587  12.811   9.616
  115    H1*    U  11           H1*        U  11   2.960  10.215   8.193
  116    H3     U  11           H3         U  11   2.390  10.631   3.671
  117    H5     U  11           H5         U  11  -1.321  11.627   5.370
  118    H6     U  11           H6         U  11  -0.263  11.641   7.539
  119   1H5*    C  12          1H5*        C  12   5.490  14.253   9.147
  120   2H5*    C  12          2H5*        C  12   5.875  15.980   8.980
  121    H4*    C  12           H4*        C  12   7.284  14.646   7.461
  122    H3*    C  12           H3*        C  12   5.127  16.325   6.138
  123    H2*    C  12           H2*        C  12   6.144  15.723   4.046
  124   2HO*    C  12          2HO*        C  12   8.356  15.909   4.886
  125    H1*    C  12           H1*        C  12   6.557  13.080   4.742
  126   1H4     C  12          1H4         C  12   1.275  13.483   1.260
  127   2H4     C  12          2H4         C  12   0.307  13.858   2.675
  128    H5     C  12           H5         C  12   1.314  14.199   4.898
  129    H6     C  12           H6         C  12   3.399  14.245   6.124
  130   1H5*    U  13          1H5*        U  13   7.795  17.360   3.627
  131   2H5*    U  13          2H5*        U  13   7.852  19.124   3.448
  132    H4*    U  13           H4*        U  13   7.186  18.106   1.327
  133    H3*    U  13           H3*        U  13   4.949  19.554   2.776
  134    H2*    U  13           H2*        U  13   3.672  19.252   0.759
  135   2HO*    U  13          2HO*        U  13   5.364  19.674  -0.723
  136    H1*    U  13           H1*        U  13   4.441  16.638   0.409
  137    H3     U  13           H3         U  13   0.051  16.710   1.724
  138    H5     U  13           H5         U  13   2.222  17.324   5.266
  139    H6     U  13           H6         U  13   4.243  17.441   3.940
  140   1H5*    U  14          1H5*        U  14   6.475  23.597  -0.981
  141   2H5*    U  14          2H5*        U  14   4.776  23.362  -1.420
  142    H4*    U  14           H4*        U  14   6.085  23.537  -3.429
  143    H3*    U  14           H3*        U  14   4.369  21.425  -3.046
  144    H2*    U  14           H2*        U  14   6.035  19.907  -2.301
  145   2HO*    U  14          2HO*        U  14   5.050  18.961  -4.153
  146    H1*    U  14           H1*        U  14   7.872  20.898  -4.468
  147    H3     U  14           H3         U  14  11.447  18.528  -3.088
  148    H5     U  14           H5         U  14   9.041  18.672   0.357
  149    H6     U  14           H6         U  14   7.484  20.068  -0.864
  150   1H5*    C  15          1H5*        C  15   3.947  19.816  -5.973
  151   2H5*    C  15          2H5*        C  15   3.055  20.559  -7.310
  152    H4*    C  15           H4*        C  15   2.115  18.412  -6.759
  153    H3*    C  15           H3*        C  15   0.513  20.614  -7.091
  154    H2*    C  15           H2*        C  15   0.588  21.199  -4.739
  155   2HO*    C  15          2HO*        C  15  -1.622  21.098  -5.436
  156    H1*    C  15           H1*        C  15  -0.035  18.288  -4.163
  157   1H4     C  15          1H4         C  15   0.838  20.355   1.803
  158   2H4     C  15          2H4         C  15   2.273  21.251   1.328
  159    H5     C  15           H5         C  15   3.011  21.445  -0.982
  160    H6     C  15           H6         C  15   2.569  20.720  -3.264
  161   1H5*    G  16          1H5*        G  16  -1.116  14.859  -7.773
  162   2H5*    G  16          2H5*        G  16  -0.577  15.965  -6.500
  163    H4*    G  16           H4*        G  16   1.072  15.658  -9.020
  164    H3*    G  16           H3*        G  16   1.161  13.829  -6.595
  165    H2*    G  16           H2*        G  16   3.478  13.593  -7.194
  166   2HO*    G  16          2HO*        G  16   2.964  13.393  -9.519
  167    H1*    G  16           H1*        G  16   3.650  16.272  -8.101
  168    H8     G  16           H8         G  16   5.880  15.746  -6.912
  169    H1     G  16           H1         G  16   3.038  15.994  -1.179
  170   1H2     G  16          1H2         G  16   0.889  16.055  -1.393
  171   2H2     G  16          2H2         G  16   0.085  15.948  -2.950
  172   1H5*    G  17          1H5*        G  17   3.645  11.798  -8.915
  173   2H5*    G  17          2H5*        G  17   3.413  10.051  -8.716
  174    H4*    G  17           H4*        G  17   5.642  10.730  -7.926
  175    H3*    G  17           H3*        G  17   3.719   9.862  -5.760
  176    H2*    G  17           H2*        G  17   5.646   9.987  -4.242
  177   2HO*    G  17          2HO*        G  17   7.692  10.526  -5.081
  178    H1*    G  17           H1*        G  17   6.307  12.484  -5.043
  179    H8     G  17           H8         G  17   2.589  12.353  -5.555
  180    H1     G  17           H1         G  17   4.239  12.980   0.605
  181   1H2     G  17          1H2         G  17   6.421  12.714   0.833
  182   2H2     G  17          2H2         G  17   7.462  12.344  -0.529
  183   1H5*    A  18          1H5*        A  18   7.274   7.774  -5.347
  184   2H5*    A  18          2H5*        A  18   7.070   6.068  -4.898
  185    H4*    A  18           H4*        A  18   8.478   7.265  -3.254
  186    H3*    A  18           H3*        A  18   5.740   6.410  -2.274
  187    H2*    A  18           H2*        A  18   6.561   7.057  -0.063
  188   2HO*    A  18          2HO*        A  18   8.701   7.785   0.175
  189    H1*    A  18           H1*        A  18   7.404   9.477  -0.918
  190    H8     A  18           H8         A  18   4.481   8.774  -3.152
  191   1H6     A  18          1H6         A  18   0.877  10.389   1.637
  192   2H6     A  18          2H6         A  18   0.893   9.996  -0.071
  193    H2     A  18           H2         A  18   5.045  10.017   3.110
  194   1H5*    G  19          1H5*        G  19   8.726   5.020   0.313
  195   2H5*    G  19          2H5*        G  19   8.385   3.424   1.006
  196    H4*    G  19           H4*        G  19   8.773   5.164   2.740
  197    H3*    G  19           H3*        G  19   5.971   3.993   2.653
  198    H2*    G  19           H2*        G  19   5.643   5.191   4.749
  199   2HO*    G  19          2HO*        G  19   7.857   4.923   5.517
  200    H1*    G  19           H1*        G  19   6.515   7.531   3.701
  201    H8     G  19           H8         G  19   5.149   5.920   0.641
  202    H1     G  19           H1         G  19   0.533   7.682   4.724
  203   1H2     G  19          1H2         G  19   1.391   8.024   6.739
  204   2H2     G  19          2H2         G  19   3.116   7.913   7.036
  205   1H5*    G  20          1H5*        G  20   7.350   3.675   6.595
  206   2H5*    G  20          2H5*        G  20   7.078   2.030   7.205
  207    H4*    G  20           H4*        G  20   6.148   3.705   8.754
  208    H3*    G  20           H3*        G  20   4.138   1.999   7.257
  209    H2*    G  20           H2*        G  20   2.477   2.966   8.762
  210   2HO*    G  20          2HO*        G  20   3.936   3.027  10.626
  211    H1*    G  20           H1*        G  20   3.362   5.504   8.384
  212    H8     G  20           H8         G  20   3.938   4.036   4.995
  213    H1     G  20           H1         G  20  -2.285   4.934   6.333
  214   1H2     G  20          1H2         G  20  -2.546   5.300   8.501
  215   2H2     G  20          2H2         G  20  -1.180   5.366   9.595
  216   1H5*    A  21          1H5*        A  21   3.014   1.641  11.261
  217   2H5*    A  21          2H5*        A  21   2.713  -0.065  11.651
  218    H4*    A  21           H4*        A  21   0.734   1.286  12.183
  219    H3*    A  21           H3*        A  21   0.452  -0.587   9.812
  220    H2*    A  21           H2*        A  21  -1.887   0.008   9.794
  221   2HO*    A  21          2HO*        A  21  -2.176   0.099  12.095
  222    H1*    A  21           H1*        A  21  -1.436   2.676  10.003
  223    H8     A  21           H8         A  21   1.452   1.390   7.968
  224   1H6     A  21          1H6         A  21  -2.495   1.412   3.158
  225   2H6     A  21          2H6         A  21  -0.817   1.193   3.620
  226    H2     A  21           H2         A  21  -4.819   2.075   6.869
  227   1H5*    U  22          1H5*        U  22  -2.975  -3.991  10.475
  228   2H5*    U  22          2H5*        U  22  -2.244  -3.069   9.151
  229    H4*    U  22           H4*        U  22  -4.789  -2.242  10.619
  230    H3*    U  22           H3*        U  22  -4.268  -3.873   8.133
  231    H2*    U  22           H2*        U  22  -6.298  -2.922   7.181
  232   2HO*    U  22          2HO*        U  22  -7.424  -2.828   9.281
  233    H1*    U  22           H1*        U  22  -5.611  -0.380   7.751
  234    H3     U  22           H3         U  22  -4.640  -1.521   3.349
  235    H5     U  22           H5         U  22  -1.080  -1.955   5.543
  236    H6     U  22           H6         U  22  -2.353  -1.668   7.574
  237   1H5*    U  23          1H5*        U  23  -8.213  -4.121   8.452
  238   2H5*    U  23          2H5*        U  23  -8.784  -5.799   8.518
  239    H4*    U  23           H4*        U  23  -9.922  -4.543   6.714
  240    H3*    U  23           H3*        U  23  -7.977  -6.699   5.834
  241    H2*    U  23           H2*        U  23  -8.867  -6.358   3.621
  242   2HO*    U  23          2HO*        U  23 -11.083  -6.200   4.274
  243    H1*    U  23           H1*        U  23  -9.023  -3.580   3.900
  244    H3     U  23           H3         U  23  -6.058  -4.737   0.579
  245    H5     U  23           H5         U  23  -3.848  -4.729   4.154
  246    H6     U  23           H6         U  23  -5.916  -4.521   5.381
  247   1H5*    U  24          1H5*        U  24 -10.053 -10.531   3.682
  248   2H5*    U  24          2H5*        U  24  -8.594  -9.522   3.612
  249    H4*    U  24           H4*        U  24 -11.048  -9.206   1.820
  250    H3*    U  24           H3*        U  24  -8.322 -10.468   1.453
  251    H2*    U  24           H2*        U  24  -8.471  -9.821  -0.894
  252   2HO*    U  24          2HO*        U  24 -10.793 -10.124  -1.077
  253    H1*    U  24           H1*        U  24  -9.072  -7.263  -0.307
  254    H3     U  24           H3         U  24  -4.565  -7.817  -1.189
  255    H5     U  24           H5         U  24  -4.979  -8.098   2.976
  256    H6     U  24           H6         U  24  -7.374  -8.152   2.678
  257   1H5*    G  25          1H5*        G  25 -10.701 -11.722  -1.802
  258   2H5*    G  25          2H5*        G  25 -10.492 -13.450  -2.140
  259    H4*    G  25           H4*        G  25 -10.119 -12.078  -4.160
  260    H3*    G  25           H3*        G  25  -7.661 -13.472  -3.055
  261    H2*    G  25           H2*        G  25  -6.608 -12.793  -5.147
  262   2HO*    G  25          2HO*        G  25  -8.514 -13.047  -6.483
  263    H1*    G  25           H1*        G  25  -7.425 -10.227  -4.913
  264    H8     G  25           H8         G  25  -7.022 -11.171  -1.325
  265    H1     G  25           H1         G  25  -1.408 -10.529  -4.366
  266   1H2     G  25          1H2         G  25  -1.742 -10.481  -6.561
  267   2H2     G  25          2H2         G  25  -3.351 -10.580  -7.251
  268   1H5*    G  26          1H5*        G  26  -8.218 -14.603  -7.091
  269   2H5*    G  26          2H5*        G  26  -7.906 -16.329  -7.361
  270    H4*    G  26           H4*        G  26  -6.563 -14.915  -8.884
  271    H3*    G  26           H3*        G  26  -5.034 -16.467  -6.793
  272    H2*    G  26           H2*        G  26  -3.022 -15.721  -8.034
  273   2HO*    G  26          2HO*        G  26  -3.994 -15.857 -10.149
  274    H1*    G  26           H1*        G  26  -3.808 -13.153  -8.104
  275    H8     G  26           H8         G  26  -5.300 -14.246  -4.852
  276    H1     G  26           H1         G  26   1.043 -13.314  -4.574
  277   1H2     G  26          1H2         G  26   1.885 -13.210  -6.625
  278   2H2     G  26          2H2         G  26   0.867 -13.344  -8.046
  279   1H5*    C  27          1H5*        C  27  -3.512 -17.635 -10.533
  280   2H5*    C  27          2H5*        C  27  -3.175 -19.379 -10.616
  281    H4*    C  27           H4*        C  27  -1.120 -18.085 -11.033
  282    H3*    C  27           H3*        C  27  -1.206 -19.537  -8.368
  283    H2*    C  27           H2*        C  27   1.141 -18.902  -8.169
  284   2HO*    C  27          2HO*        C  27   1.632 -19.147 -10.450
  285    H1*    C  27           H1*        C  27   0.665 -16.310  -8.849
  286   1H4     C  27          1H4         C  27  -0.033 -16.510  -2.550
  287   2H4     C  27          2H4         C  27  -1.763 -16.717  -2.746
  288    H5     C  27           H5         C  27  -2.815 -17.063  -4.943
  289    H6     C  27           H6         C  27  -2.386 -17.322  -7.294
  290   1H5*    C  28          1H5*        C  28   2.306 -20.829 -10.247
  291   2H5*    C  28          2H5*        C  28   2.602 -22.561  -9.999
  292    H4*    C  28           H4*        C  28   4.495 -21.226  -9.169
  293    H3*    C  28           H3*        C  28   2.826 -22.551  -7.008
  294    H2*    C  28           H2*        C  28   4.587 -21.871  -5.491
  295   2HO*    C  28          2HO*        C  28   6.351 -22.270  -6.979
  296    H1*    C  28           H1*        C  28   4.724 -19.328  -6.488
  297   1H4     C  28          1H4         C  28   0.625 -19.395  -1.626
  298   2H4     C  28          2H4         C  28  -0.705 -19.753  -2.711
  299    H5     C  28           H5         C  28  -0.373 -20.177  -5.106
  300    H6     C  28           H6         C  28   1.286 -20.363  -6.858
  301    H3T    C  28           H3T        C  28   4.545 -24.069  -7.161
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   5.638 -15.695   8.967
    2   2H5*    G   1          2H5*        G   1   5.857 -13.985   8.545
    3    H4*    G   1           H4*        G   1   7.566 -15.284   7.429
    4    H3*    G   1           H3*        G   1   5.396 -14.309   5.542
    5    H2*    G   1           H2*        G   1   6.851 -15.111   3.764
    6   2HO*    G   1          2HO*        G   1   8.860 -14.527   4.874
    7    H1*    G   1           H1*        G   1   7.222 -17.524   4.915
    8    H8     G   1           H8         G   1   3.791 -16.690   6.100
    9    H1     G   1           H1         G   1   3.966 -18.153  -0.146
   10   1H2     G   1          1H2         G   1   6.072 -18.152  -0.860
   11   2H2     G   1          2H2         G   1   7.412 -17.831   0.223
   12    H5T    G   1           H5T        G   1   3.663 -14.650   8.399
   13   1H5*    G   2          1H5*        G   2   9.033 -13.151   3.870
   14   2H5*    G   2          2H5*        G   2   8.988 -11.466   3.322
   15    H4*    G   2           H4*        G   2   9.701 -12.954   1.499
   16    H3*    G   2           H3*        G   2   6.958 -11.707   1.185
   17    H2*    G   2           H2*        G   2   7.057 -12.570  -1.119
   18   2HO*    G   2          2HO*        G   2   9.354 -12.198  -1.394
   19    H1*    G   2           H1*        G   2   7.838 -15.034  -0.329
   20    H8     G   2           H8         G   2   5.654 -13.975   2.520
   21    H1     G   2           H1         G   2   2.356 -15.584  -2.750
   22   1H2     G   2          1H2         G   2   3.733 -15.751  -4.484
   23   2H2     G   2          2H2         G   2   5.453 -15.454  -4.322
   24   1H5*    C   3          1H5*        C   3   9.194 -10.675  -2.151
   25   2H5*    C   3          2H5*        C   3   8.915  -9.011  -2.698
   26    H4*    C   3           H4*        C   3   8.399 -10.662  -4.471
   27    H3*    C   3           H3*        C   3   6.018  -9.148  -3.352
   28    H2*    C   3           H2*        C   3   4.784 -10.143  -5.221
   29   2HO*    C   3          2HO*        C   3   6.537 -10.027  -6.760
   30    H1*    C   3           H1*        C   3   5.781 -12.647  -4.729
   31   1H4     C   3          1H4         C   3   0.465 -12.177  -1.280
   32   2H4     C   3          2H4         C   3   1.406 -11.663   0.109
   33    H5     C   3           H5         C   3   3.805 -11.197  -0.020
   34    H6     C   3           H6         C   3   5.721 -11.153  -1.492
   35   1H5*    C   4          1H5*        C   4   6.127  -8.383  -7.437
   36   2H5*    C   4          2H5*        C   4   5.678  -6.711  -7.838
   37    H4*    C   4           H4*        C   4   4.155  -8.332  -8.923
   38    H3*    C   4           H3*        C   4   2.903  -6.718  -6.675
   39    H2*    C   4           H2*        C   4   0.803  -7.654  -7.513
   40   2HO*    C   4          2HO*        C   4   1.377  -7.620  -9.770
   41    H1*    C   4           H1*        C   4   1.808 -10.183  -7.606
   42   1H4     C   4          1H4         C   4  -0.831  -9.491  -1.892
   43   2H4     C   4          2H4         C   4   0.648  -8.802  -1.244
   44    H5     C   4           H5         C   4   2.610  -8.337  -2.645
   45    H6     C   4           H6         C   4   3.481  -8.426  -4.901
   46   1H5*    A   5          1H5*        A   5   0.665  -6.119 -10.308
   47   2H5*    A   5          2H5*        A   5  -0.080  -4.507 -10.356
   48    H4*    A   5           H4*        A   5  -1.747  -6.378 -10.530
   49    H3*    A   5           H3*        A   5  -1.910  -4.608  -8.077
   50    H2*    A   5           H2*        A   5  -3.984  -5.802  -7.592
   51   2HO*    A   5          2HO*        A   5  -4.750  -7.368  -9.076
   52    H1*    A   5           H1*        A   5  -2.850  -8.250  -7.964
   53    H8     A   5           H8         A   5  -0.058  -6.209  -6.510
   54   1H6     A   5          1H6         A   5  -2.965  -6.945  -1.049
   55   2H6     A   5          2H6         A   5  -1.471  -6.414  -1.801
   56    H2     A   5           H2         A   5  -5.718  -8.207  -4.273
   57   1H5*    U   6          1H5*        U   6  -5.743  -4.941  -9.039
   58   2H5*    U   6          2H5*        U   6  -6.513  -3.352  -9.214
   59    H4*    U   6           H4*        U   6  -7.748  -4.708  -7.583
   60    H3*    U   6           H3*        U   6  -6.179  -2.409  -6.384
   61    H2*    U   6           H2*        U   6  -7.417  -2.887  -4.345
   62   2HO*    U   6          2HO*        U   6  -9.046  -4.482  -4.365
   63    H1*    U   6           H1*        U   6  -6.969  -5.583  -4.515
   64    H3     U   6           H3         U   6  -4.210  -4.035  -1.232
   65    H5     U   6           H5         U   6  -2.206  -3.151  -4.820
   66    H6     U   6           H6         U   6  -4.190  -3.816  -6.024
   67   1H5*    C   7          1H5*        C   7 -10.269  -2.213  -5.165
   68   2H5*    C   7          2H5*        C   7 -10.858  -0.546  -5.315
   69    H4*    C   7           H4*        C   7 -11.375  -1.410  -3.080
   70    H3*    C   7           H3*        C   7  -9.190   0.690  -3.179
   71    H2*    C   7           H2*        C   7  -9.326   0.722  -0.775
   72   2HO*    C   7          2HO*        C   7 -11.619   0.594  -0.611
   73    H1*    C   7           H1*        C   7  -9.537  -2.025  -0.539
   74   1H4     C   7          1H4         C   7  -3.369  -0.901   0.361
   75   2H4     C   7          2H4         C   7  -3.112  -0.676  -1.357
   76    H5     C   7           H5         C   7  -4.932  -0.709  -2.982
   77    H6     C   7           H6         C   7  -7.320  -0.961  -3.264
   78   1H5*    U   8          1H5*        U   8 -11.297   4.655  -0.412
   79   2H5*    U   8          2H5*        U   8  -9.668   3.990  -0.637
   80    H4*    U   8           H4*        U   8 -11.623   3.249   1.587
   81    H3*    U   8           H3*        U   8  -9.116   4.924   1.385
   82    H2*    U   8           H2*        U   8  -8.444   4.156   3.563
   83   2HO*    U   8          2HO*        U   8 -10.674   4.169   4.406
   84    H1*    U   8           H1*        U   8  -8.969   1.551   3.133
   85    H3     U   8           H3         U   8  -4.465   2.160   2.887
   86    H5     U   8           H5         U   8  -5.875   2.740  -1.023
   87    H6     U   8           H6         U   8  -8.128   2.741  -0.150
   88   1H5*    U   9          1H5*        U   9 -10.214   5.478   5.332
   89   2H5*    U   9          2H5*        U   9  -9.989   7.160   5.845
   90    H4*    U   9           H4*        U   9  -8.576   5.557   7.138
   91    H3*    U   9           H3*        U   9  -7.100   7.539   5.384
   92    H2*    U   9           H2*        U   9  -5.093   6.714   6.506
   93   2HO*    U   9          2HO*        U   9  -6.089   6.437   8.601
   94    H1*    U   9           H1*        U   9  -5.773   4.094   6.181
   95    H3     U   9           H3         U   9  -2.465   4.893   3.167
   96    H5     U   9           H5         U   9  -5.942   6.381   1.341
   97    H6     U   9           H6         U   9  -7.118   6.026   3.417
   98   1H5*    C  10          1H5*        C  10  -5.675   7.686   9.565
   99   2H5*    C  10          2H5*        C  10  -5.344   9.374   9.992
  100    H4*    C  10           H4*        C  10  -3.400   7.948  10.491
  101    H3*    C  10           H3*        C  10  -3.020   9.888   8.192
  102    H2*    C  10           H2*        C  10  -0.668   9.243   8.321
  103   2HO*    C  10          2HO*        C  10  -0.605   9.050  10.650
  104    H1*    C  10           H1*        C  10  -1.210   6.589   8.453
  105   1H4     C  10          1H4         C  10  -0.567   7.754   2.271
  106   2H4     C  10          2H4         C  10  -2.246   8.246   2.142
  107    H5     C  10           H5         C  10  -3.709   8.455   4.100
  108    H6     C  10           H6         C  10  -3.819   8.204   6.506
  109   1H5*    U  11          1H5*        U  11   0.066  10.398  11.203
  110   2H5*    U  11          2H5*        U  11   0.544  12.097  11.354
  111    H4*    U  11           H4*        U  11   2.489  10.638  10.921
  112    H3*    U  11           H3*        U  11   1.770  12.553   8.677
  113    H2*    U  11           H2*        U  11   3.918  11.894   7.729
  114   2HO*    U  11          2HO*        U  11   4.994  11.735   9.829
  115    H1*    U  11           H1*        U  11   3.484   9.239   8.123
  116    H3     U  11           H3         U  11   2.857   9.931   3.665
  117    H5     U  11           H5         U  11  -0.796  10.994   5.443
  118    H6     U  11           H6         U  11   0.268  10.818   7.604
  119   1H5*    C  12          1H5*        C  12   5.841  13.238   9.522
  120   2H5*    C  12          2H5*        C  12   6.154  14.985   9.551
  121    H4*    C  12           H4*        C  12   7.610  13.885   7.888
  122    H3*    C  12           H3*        C  12   5.394  15.638   6.786
  123    H2*    C  12           H2*        C  12   6.385  15.314   4.625
  124   2HO*    C  12          2HO*        C  12   8.602  15.498   5.461
  125    H1*    C  12           H1*        C  12   6.932  12.626   5.007
  126   1H4     C  12          1H4         C  12   1.614  13.174   1.595
  127   2H4     C  12          2H4         C  12   0.644  13.346   3.047
  128    H5     C  12           H5         C  12   1.645  13.468   5.290
  129    H6     C  12           H6         C  12   3.733  13.479   6.514
  130   1H5*    U  13          1H5*        U  13   7.983  17.051   4.391
  131   2H5*    U  13          2H5*        U  13   7.970  18.826   4.405
  132    H4*    U  13           H4*        U  13   7.286  18.009   2.197
  133    H3*    U  13           H3*        U  13   5.034  19.185   3.852
  134    H2*    U  13           H2*        U  13   3.739  19.075   1.799
  135   2HO*    U  13          2HO*        U  13   4.808  18.288  -0.120
  136    H1*    U  13           H1*        U  13   4.569  16.524   1.209
  137    H3     U  13           H3         U  13   0.217  16.279   2.589
  138    H5     U  13           H5         U  13   2.439  16.608   6.140
  139    H6     U  13           H6         U  13   4.424  16.957   4.796
  140   1H5*    U  14          1H5*        U  14   4.089  22.296   0.299
  141   2H5*    U  14          2H5*        U  14   5.204  20.930   0.159
  142    H4*    U  14           H4*        U  14   5.403  23.656  -1.167
  143    H3*    U  14           H3*        U  14   4.063  21.422  -1.935
  144    H2*    U  14           H2*        U  14   5.852  19.912  -1.511
  145   2HO*    U  14          2HO*        U  14   6.575  19.219  -3.561
  146    H1*    U  14           H1*        U  14   7.665  21.758  -3.042
  147    H3     U  14           H3         U  14  11.319  19.228  -2.321
  148    H5     U  14           H5         U  14   9.058  18.586   1.160
  149    H6     U  14           H6         U  14   7.357  20.060   0.256
  150   1H5*    C  15          1H5*        C  15   3.783  20.647  -4.787
  151   2H5*    C  15          2H5*        C  15   2.924  21.618  -5.995
  152    H4*    C  15           H4*        C  15   2.026  19.394  -5.924
  153    H3*    C  15           H3*        C  15   0.341  21.550  -5.876
  154    H2*    C  15           H2*        C  15   0.387  21.657  -3.430
  155   2HO*    C  15          2HO*        C  15  -1.807  21.705  -4.192
  156    H1*    C  15           H1*        C  15  -0.219  18.679  -3.534
  157   1H4     C  15          1H4         C  15   0.380  19.345   2.783
  158   2H4     C  15          2H4         C  15   1.812  20.339   2.588
  159    H5     C  15           H5         C  15   2.679  20.993   0.399
  160    H6     C  15           H6         C  15   2.303  20.835  -2.003
  161   1H5*    G  16          1H5*        G  16  -1.014  15.856  -7.345
  162   2H5*    G  16          2H5*        G  16  -0.602  16.845  -5.933
  163    H4*    G  16           H4*        G  16   1.213  16.908  -8.342
  164    H3*    G  16           H3*        G  16   1.241  14.746  -6.205
  165    H2*    G  16           H2*        G  16   3.587  14.677  -6.725
  166   2HO*    G  16          2HO*        G  16   3.165  14.801  -9.083
  167    H1*    G  16           H1*        G  16   3.650  17.469  -7.265
  168    H8     G  16           H8         G  16   5.900  16.896  -6.169
  169    H1     G  16           H1         G  16   3.123  16.107  -0.455
  170   1H2     G  16          1H2         G  16   0.981  16.110  -0.638
  171   2H2     G  16          2H2         G  16   0.151  16.210  -2.184
  172   1H5*    G  17          1H5*        G  17   3.885  13.203  -8.752
  173   2H5*    G  17          2H5*        G  17   3.740  11.438  -8.815
  174    H4*    G  17           H4*        G  17   5.929  12.107  -7.911
  175    H3*    G  17           H3*        G  17   4.049  10.813  -5.924
  176    H2*    G  17           H2*        G  17   5.993  10.782  -4.396
  177   2HO*    G  17          2HO*        G  17   7.588  10.418  -6.089
  178    H1*    G  17           H1*        G  17   6.510  13.406  -4.791
  179    H8     G  17           H8         G  17   2.802  13.196  -5.331
  180    H1     G  17           H1         G  17   4.451  12.877   0.854
  181   1H2     G  17          1H2         G  17   6.643  12.648   1.043
  182   2H2     G  17          2H2         G  17   7.690  12.527  -0.358
  183   1H5*    A  18          1H5*        A  18   7.643   8.764  -5.858
  184   2H5*    A  18          2H5*        A  18   7.459   7.003  -5.728
  185    H4*    A  18           H4*        A  18   8.825   7.897  -3.872
  186    H3*    A  18           H3*        A  18   6.079   6.853  -3.124
  187    H2*    A  18           H2*        A  18   6.870   7.063  -0.816
  188   2HO*    A  18          2HO*        A  18   9.085   6.486  -1.213
  189    H1*    A  18           H1*        A  18   7.726   9.591  -1.176
  190    H8     A  18           H8         A  18   4.804   9.369  -3.510
  191   1H6     A  18          1H6         A  18   1.215  10.087   1.511
  192   2H6     A  18          2H6         A  18   1.225  10.020  -0.242
  193    H2     A  18           H2         A  18   5.381   9.423   2.877
  194   1H5*    G  19          1H5*        G  19   9.161   4.912  -0.959
  195   2H5*    G  19          2H5*        G  19   8.811   3.212  -0.600
  196    H4*    G  19           H4*        G  19   9.307   4.557   1.437
  197    H3*    G  19           H3*        G  19   6.499   3.411   1.232
  198    H2*    G  19           H2*        G  19   6.239   4.137   3.516
  199   2HO*    G  19          2HO*        G  19   8.398   3.670   4.219
  200    H1*    G  19           H1*        G  19   7.164   6.650   2.994
  201    H8     G  19           H8         G  19   5.594   5.701  -0.255
  202    H1     G  19           H1         G  19   1.262   6.996   4.287
  203   1H2     G  19          1H2         G  19   2.220   6.947   6.285
  204   2H2     G  19          2H2         G  19   3.948   6.711   6.474
  205   1H5*    G  20          1H5*        G  20   5.962  -0.256   4.627
  206   2H5*    G  20          2H5*        G  20   4.947   1.055   3.989
  207    H4*    G  20           H4*        G  20   6.491   1.108   6.622
  208    H3*    G  20           H3*        G  20   3.697   0.435   5.795
  209    H2*    G  20           H2*        G  20   2.694   1.776   7.504
  210   2HO*    G  20          2HO*        G  20   4.281   1.208   9.147
  211    H1*    G  20           H1*        G  20   4.178   3.970   7.124
  212    H8     G  20           H8         G  20   4.421   3.085   3.599
  213    H1     G  20           H1         G  20  -1.668   4.318   5.252
  214   1H2     G  20          1H2         G  20  -1.870   4.331   7.454
  215   2H2     G  20          2H2         G  20  -0.499   4.052   8.508
  216   1H5*    A  21          1H5*        A  21   2.934  -0.331   9.690
  217   2H5*    A  21          2H5*        A  21   2.352  -2.003   9.859
  218    H4*    A  21           H4*        A  21   0.631  -0.470  10.670
  219    H3*    A  21           H3*        A  21  -0.005  -1.739   7.991
  220    H2*    A  21           H2*        A  21  -2.218  -0.755   8.251
  221   2HO*    A  21          2HO*        A  21  -2.701   0.431  10.151
  222    H1*    A  21           H1*        A  21  -1.226   1.700   8.804
  223    H8     A  21           H8         A  21   1.425   0.358   6.551
  224   1H6     A  21          1H6         A  21  -2.513   1.390   1.851
  225   2H6     A  21          2H6         A  21  -0.860   0.969   2.259
  226    H2     A  21           H2         A  21  -4.761   1.743   5.656
  227   1H5*    U  22          1H5*        U  22  -3.419  -2.094  10.062
  228   2H5*    U  22          2H5*        U  22  -3.997  -3.770  10.086
  229    H4*    U  22           H4*        U  22  -5.774  -2.250   9.328
  230    H3*    U  22           H3*        U  22  -4.648  -4.057   7.168
  231    H2*    U  22           H2*        U  22  -6.608  -3.338   5.895
  232   2HO*    U  22          2HO*        U  22  -8.040  -3.282   7.775
  233    H1*    U  22           H1*        U  22  -6.246  -0.704   6.555
  234    H3     U  22           H3         U  22  -5.157  -1.319   2.156
  235    H5     U  22           H5         U  22  -1.686  -2.343   4.295
  236    H6     U  22           H6         U  22  -2.958  -2.184   6.342
  237   1H5*    U  23          1H5*        U  23  -8.900  -4.644   7.459
  238   2H5*    U  23          2H5*        U  23  -9.240  -6.384   7.408
  239    H4*    U  23           H4*        U  23 -10.617  -5.176   5.755
  240    H3*    U  23           H3*        U  23  -8.439  -6.946   4.603
  241    H2*    U  23           H2*        U  23  -9.558  -6.570   2.474
  242   2HO*    U  23          2HO*        U  23 -11.728  -6.654   3.392
  243    H1*    U  23           H1*        U  23  -9.886  -3.867   2.931
  244    H3     U  23           H3         U  23  -6.785  -4.414  -0.377
  245    H5     U  23           H5         U  23  -4.642  -4.836   3.210
  246    H6     U  23           H6         U  23  -6.742  -4.872   4.404
  247   1H5*    U  24          1H5*        U  24 -11.927  -8.325   2.725
  248   2H5*    U  24          2H5*        U  24 -11.921 -10.102   2.709
  249    H4*    U  24           H4*        U  24 -12.097  -9.249   0.418
  250    H3*    U  24           H3*        U  24  -9.385 -10.443   1.070
  251    H2*    U  24           H2*        U  24  -9.007 -10.303  -1.340
  252   2HO*    U  24          2HO*        U  24 -11.184 -10.821  -1.985
  253    H1*    U  24           H1*        U  24  -9.906  -7.740  -1.477
  254    H3     U  24           H3         U  24  -5.410  -7.391  -1.797
  255    H5     U  24           H5         U  24  -6.052  -8.197   2.271
  256    H6     U  24           H6         U  24  -8.398  -8.507   1.782
  257   1H5*    G  25          1H5*        G  25 -11.215 -12.476  -2.331
  258   2H5*    G  25          2H5*        G  25 -10.805 -14.199  -2.316
  259    H4*    G  25           H4*        G  25 -10.303 -13.158  -4.497
  260    H3*    G  25           H3*        G  25  -7.867 -14.041  -2.912
  261    H2*    G  25           H2*        G  25  -6.673 -13.657  -5.000
  262   2HO*    G  25          2HO*        G  25  -7.824 -13.035  -6.860
  263    H1*    G  25           H1*        G  25  -7.759 -11.195  -5.336
  264    H8     G  25           H8         G  25  -7.564 -11.627  -1.608
  265    H1     G  25           H1         G  25  -1.879 -10.397  -4.321
  266   1H2     G  25          1H2         G  25  -2.031 -10.622  -6.526
  267   2H2     G  25          2H2         G  25  -3.541 -11.051  -7.305
  268   1H5*    G  26          1H5*        G  26  -7.952 -15.842  -6.675
  269   2H5*    G  26          2H5*        G  26  -7.422 -17.534  -6.684
  270    H4*    G  26           H4*        G  26  -6.133 -16.192  -8.305
  271    H3*    G  26           H3*        G  26  -4.594 -17.198  -5.910
  272    H2*    G  26           H2*        G  26  -2.602 -16.372  -7.137
  273   2HO*    G  26          2HO*        G  26  -3.386 -16.943  -9.256
  274    H1*    G  26           H1*        G  26  -3.696 -13.975  -7.634
  275    H8     G  26           H8         G  26  -5.272 -14.857  -4.344
  276    H1     G  26           H1         G  26   0.808 -12.870  -3.847
  277   1H2     G  26          1H2         G  26   1.778 -12.895  -5.844
  278   2H2     G  26          2H2         G  26   0.901 -13.365  -7.287
  279   1H5*    C  27          1H5*        C  27  -2.680 -18.657  -9.362
  280   2H5*    C  27          2H5*        C  27  -2.103 -20.327  -9.172
  281    H4*    C  27           H4*        C  27  -0.225 -18.820  -9.696
  282    H3*    C  27           H3*        C  27  -0.259 -19.895  -6.859
  283    H2*    C  27           H2*        C  27   1.960 -18.902  -6.666
  284   2HO*    C  27          2HO*        C  27   2.618 -19.379  -8.862
  285    H1*    C  27           H1*        C  27   1.173 -16.525  -7.730
  286   1H4     C  27          1H4         C  27   0.144 -15.937  -1.497
  287   2H4     C  27          2H4         C  27  -1.525 -16.418  -1.728
  288    H5     C  27           H5         C  27  -2.389 -17.214  -3.885
  289    H6     C  27           H6         C  27  -1.794 -17.739  -6.154
  290   1H5*    C  28          1H5*        C  28   3.497 -20.930  -8.448
  291   2H5*    C  28          2H5*        C  28   4.007 -22.555  -7.947
  292    H4*    C  28           H4*        C  28   5.668 -20.877  -7.263
  293    H3*    C  28           H3*        C  28   4.079 -22.105  -4.988
  294    H2*    C  28           H2*        C  28   5.654 -20.992  -3.525
  295   2HO*    C  28          2HO*        C  28   7.530 -21.346  -4.885
  296    H1*    C  28           H1*        C  28   5.511 -18.614  -4.868
  297   1H4     C  28          1H4         C  28   1.205 -18.581  -0.186
  298   2H4     C  28          2H4         C  28  -0.007 -19.264  -1.256
  299    H5     C  28           H5         C  28   0.505 -19.967  -3.551
  300    H6     C  28           H6         C  28   2.264 -20.159  -5.199
  301    H3T    C  28           H3T        C  28   5.983 -23.383  -4.865
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   5.000 -15.098   8.533
    2   2H5*    G   1          2H5*        G   1   5.258 -13.412   8.051
    3    H4*    G   1           H4*        G   1   7.014 -14.757   7.083
    4    H3*    G   1           H3*        G   1   4.949 -13.932   5.020
    5    H2*    G   1           H2*        G   1   6.504 -14.828   3.386
    6   2HO*    G   1          2HO*        G   1   8.527 -15.638   4.075
    7    H1*    G   1           H1*        G   1   6.821 -17.162   4.718
    8    H8     G   1           H8         G   1   3.327 -16.273   5.644
    9    H1     G   1           H1         G   1   3.858 -18.154  -0.470
   10   1H2     G   1          1H2         G   1   5.996 -18.178  -1.068
   11   2H2     G   1          2H2         G   1   7.273 -17.772   0.064
   12    H5T    G   1           H5T        G   1   3.629 -13.600   6.544
   13   1H5*    G   2          1H5*        G   2   8.680 -12.916   3.574
   14   2H5*    G   2          2H5*        G   2   8.740 -11.269   2.916
   15    H4*    G   2           H4*        G   2   9.593 -12.881   1.271
   16    H3*    G   2           H3*        G   2   6.926 -11.601   0.622
   17    H2*    G   2           H2*        G   2   7.168 -12.642  -1.593
   18   2HO*    G   2          2HO*        G   2   9.496 -12.332  -1.707
   19    H1*    G   2           H1*        G   2   7.829 -15.058  -0.582
   20    H8     G   2           H8         G   2   5.476 -13.760   2.023
   21    H1     G   2           H1         G   2   2.510 -15.719  -3.322
   22   1H2     G   2          1H2         G   2   3.990 -15.978  -4.956
   23   2H2     G   2          2H2         G   2   5.700 -15.682  -4.706
   24   1H5*    C   3          1H5*        C   3   9.381 -10.874  -2.623
   25   2H5*    C   3          2H5*        C   3   9.204  -9.239  -3.286
   26    H4*    C   3           H4*        C   3   8.691 -10.960  -4.986
   27    H3*    C   3           H3*        C   3   6.321  -9.322  -4.036
   28    H2*    C   3           H2*        C   3   5.108 -10.387  -5.882
   29   2HO*    C   3          2HO*        C   3   6.916 -10.402  -7.367
   30    H1*    C   3           H1*        C   3   6.026 -12.888  -5.232
   31   1H4     C   3          1H4         C   3   0.662 -12.223  -1.922
   32   2H4     C   3          2H4         C   3   1.574 -11.641  -0.543
   33    H5     C   3           H5         C   3   3.971 -11.158  -0.654
   34    H6     C   3           H6         C   3   5.916 -11.195  -2.087
   35   1H5*    C   4          1H5*        C   4   6.552  -8.835  -8.113
   36   2H5*    C   4          2H5*        C   4   6.209  -7.175  -8.648
   37    H4*    C   4           H4*        C   4   4.623  -8.781  -9.657
   38    H3*    C   4           H3*        C   4   3.424  -6.911  -7.578
   39    H2*    C   4           H2*        C   4   1.295  -7.775  -8.307
   40   2HO*    C   4          2HO*        C   4   1.783  -7.877 -10.562
   41    H1*    C   4           H1*        C   4   2.155 -10.392  -8.332
   42   1H4     C   4          1H4         C   4  -0.449  -9.603  -2.624
   43   2H4     C   4          2H4         C   4   1.028  -8.894  -1.997
   44    H5     C   4           H5         C   4   2.975  -8.434  -3.417
   45    H6     C   4           H6         C   4   3.841  -8.564  -5.669
   46   1H5*    A   5          1H5*        A   5   0.070  -3.913  -9.781
   47   2H5*    A   5          2H5*        A   5   0.314  -4.858  -8.298
   48    H4*    A   5           H4*        A   5  -1.233  -5.793 -10.756
   49    H3*    A   5           H3*        A   5  -1.980  -4.552  -8.122
   50    H2*    A   5           H2*        A   5  -3.801  -6.083  -7.815
   51   2HO*    A   5          2HO*        A   5  -3.224  -6.944 -10.483
   52    H1*    A   5           H1*        A   5  -2.418  -8.308  -8.377
   53    H8     A   5           H8         A   5   0.436  -6.441  -6.944
   54   1H6     A   5          1H6         A   5  -2.317  -7.202  -1.396
   55   2H6     A   5          2H6         A   5  -0.833  -6.687  -2.181
   56    H2     A   5           H2         A   5  -5.229  -8.250  -4.540
   57   1H5*    U   6          1H5*        U   6  -5.603  -5.080  -9.031
   58   2H5*    U   6          2H5*        U   6  -6.515  -3.558  -9.102
   59    H4*    U   6           H4*        U   6  -7.535  -5.035  -7.441
   60    H3*    U   6           H3*        U   6  -5.999  -2.716  -6.231
   61    H2*    U   6           H2*        U   6  -7.082  -3.366  -4.146
   62   2HO*    U   6          2HO*        U   6  -8.608  -5.062  -4.156
   63    H1*    U   6           H1*        U   6  -6.460  -6.014  -4.499
   64    H3     U   6           H3         U   6  -3.628  -4.339  -1.323
   65    H5     U   6           H5         U   6  -1.865  -3.345  -5.007
   66    H6     U   6           H6         U   6  -3.885  -4.078  -6.109
   67   1H5*    C   7          1H5*        C   7  -9.976  -2.747  -4.720
   68   2H5*    C   7          2H5*        C   7 -10.635  -1.099  -4.748
   69    H4*    C   7           H4*        C   7 -10.963  -2.072  -2.532
   70    H3*    C   7           H3*        C   7  -8.806   0.060  -2.620
   71    H2*    C   7           H2*        C   7  -8.928  -0.035  -0.195
   72   2HO*    C   7          2HO*        C   7 -10.534  -1.267   0.815
   73    H1*    C   7           H1*        C   7  -8.990  -2.794  -0.155
   74   1H4     C   7          1H4         C   7  -2.881  -1.325   0.622
   75   2H4     C   7          2H4         C   7  -2.670  -1.122  -1.106
   76    H5     C   7           H5         C   7  -4.531  -1.235  -2.685
   77    H6     C   7           H6         C   7  -6.914  -1.592  -2.902
   78   1H5*    U   8          1H5*        U   8 -12.021   0.975   0.167
   79   2H5*    U   8          2H5*        U   8 -12.336   2.721   0.241
   80    H4*    U   8           H4*        U   8 -11.956   1.787   2.497
   81    H3*    U   8           H3*        U   8  -9.786   3.635   1.463
   82    H2*    U   8           H2*        U   8  -8.873   3.517   3.702
   83   2HO*    U   8          2HO*        U   8 -10.025   2.453   5.351
   84    H1*    U   8           H1*        U   8  -9.207   0.810   3.926
   85    H3     U   8           H3         U   8  -4.759   1.109   3.500
   86    H5     U   8           H5         U   8  -6.150   2.155  -0.321
   87    H6     U   8           H6         U   8  -8.408   2.081   0.544
   88   1H5*    U   9          1H5*        U   9 -10.964   4.855   5.329
   89   2H5*    U   9          2H5*        U   9 -10.901   6.610   5.543
   90    H4*    U   9           H4*        U   9  -9.445   5.378   7.158
   91    H3*    U   9           H3*        U   9  -8.033   7.165   5.160
   92    H2*    U   9           H2*        U   9  -6.060   6.763   6.537
   93   2HO*    U   9          2HO*        U   9  -6.240   5.591   8.469
   94    H1*    U   9           H1*        U   9  -6.481   4.069   6.655
   95    H3     U   9           H3         U   9  -3.044   4.497   3.732
   96    H5     U   9           H5         U   9  -6.410   5.673   1.517
   97    H6     U   9           H6         U   9  -7.724   5.536   3.537
   98   1H5*    C  10          1H5*        C  10  -7.011   8.055   9.291
   99   2H5*    C  10          2H5*        C  10  -6.808   9.800   9.532
  100    H4*    C  10           H4*        C  10  -4.854   8.570  10.376
  101    H3*    C  10           H3*        C  10  -4.316  10.213   7.882
  102    H2*    C  10           H2*        C  10  -1.970   9.736   8.360
  103   2HO*    C  10          2HO*        C  10  -1.404   8.596  10.237
  104    H1*    C  10           H1*        C  10  -2.414   7.085   8.727
  105   1H4     C  10          1H4         C  10  -1.241   7.705   2.534
  106   2H4     C  10          2H4         C  10  -2.928   8.069   2.209
  107    H5     C  10           H5         C  10  -4.580   8.355   4.000
  108    H6     C  10           H6         C  10  -4.901   8.327   6.397
  109   1H5*    U  11          1H5*        U  11  -1.640  11.176  11.024
  110   2H5*    U  11          2H5*        U  11  -1.252  12.903  11.119
  111    H4*    U  11           H4*        U  11   0.789  11.525  11.012
  112    H3*    U  11           H3*        U  11   0.259  13.226   8.552
  113    H2*    U  11           H2*        U  11   2.523  12.620   7.916
  114   2HO*    U  11          2HO*        U  11   3.809  11.387   9.338
  115    H1*    U  11           H1*        U  11   2.148   9.978   8.433
  116    H3     U  11           H3         U  11   2.007  10.523   3.897
  117    H5     U  11           H5         U  11  -1.912  11.267   5.228
  118    H6     U  11           H6         U  11  -1.083  11.251   7.491
  119   1H5*    C  12          1H5*        C  12   4.094  14.040   9.859
  120   2H5*    C  12          2H5*        C  12   4.453  15.780   9.830
  121    H4*    C  12           H4*        C  12   6.105  14.531   8.478
  122    H3*    C  12           H3*        C  12   4.149  16.278   6.952
  123    H2*    C  12           H2*        C  12   5.452  15.793   4.992
  124   2HO*    C  12          2HO*        C  12   7.518  15.944   6.159
  125    H1*    C  12           H1*        C  12   5.809  13.118   5.598
  126   1H4     C  12          1H4         C  12   1.076  13.625   1.404
  127   2H4     C  12          2H4         C  12  -0.096  13.853   2.692
  128    H5     C  12           H5         C  12   0.569  14.071   5.047
  129    H6     C  12           H6         C  12   2.450  14.102   6.567
  130   1H5*    U  13          1H5*        U  13   7.180  17.450   4.954
  131   2H5*    U  13          2H5*        U  13   7.260  19.224   4.887
  132    H4*    U  13           H4*        U  13   6.943  18.326   2.629
  133    H3*    U  13           H3*        U  13   4.501  19.692   3.798
  134    H2*    U  13           H2*        U  13   3.580  19.526   1.559
  135   2HO*    U  13          2HO*        U  13   4.928  18.607  -0.111
  136    H1*    U  13           H1*        U  13   4.375  16.914   1.226
  137    H3     U  13           H3         U  13  -0.160  16.893   1.805
  138    H5     U  13           H5         U  13   1.404  17.299   5.685
  139    H6     U  13           H6         U  13   3.608  17.532   4.708
  140   1H5*    U  14          1H5*        U  14   4.452  22.659  -0.046
  141   2H5*    U  14          2H5*        U  14   5.474  21.222   0.100
  142    H4*    U  14           H4*        U  14   6.137  23.853  -1.267
  143    H3*    U  14           H3*        U  14   4.799  21.674  -2.192
  144    H2*    U  14           H2*        U  14   6.351  20.072  -1.375
  145   2HO*    U  14          2HO*        U  14   7.388  19.225  -3.223
  146    H1*    U  14           H1*        U  14   8.549  21.728  -2.595
  147    H3     U  14           H3         U  14  11.820  18.994  -1.148
  148    H5     U  14           H5         U  14   8.924  18.641   1.874
  149    H6     U  14           H6         U  14   7.524  20.184   0.632
  150   1H5*    C  15          1H5*        C  15   4.974  20.782  -5.008
  151   2H5*    C  15          2H5*        C  15   4.438  21.756  -6.386
  152    H4*    C  15           H4*        C  15   3.348  19.626  -6.420
  153    H3*    C  15           H3*        C  15   1.874  21.905  -6.738
  154    H2*    C  15           H2*        C  15   1.496  22.111  -4.324
  155   2HO*    C  15          2HO*        C  15  -0.513  22.314  -5.460
  156    H1*    C  15           H1*        C  15   0.659  19.193  -4.461
  157   1H4     C  15          1H4         C  15   0.168  20.035   1.842
  158   2H4     C  15          2H4         C  15   1.688  20.912   1.886
  159    H5     C  15           H5         C  15   2.987  21.413  -0.117
  160    H6     C  15           H6         C  15   3.041  21.197  -2.543
  161   1H5*    G  16          1H5*        G  16   0.282  16.267  -8.141
  162   2H5*    G  16          2H5*        G  16   0.557  17.329  -6.750
  163    H4*    G  16           H4*        G  16   2.748  16.994  -8.799
  164    H3*    G  16           H3*        G  16   2.170  15.066  -6.525
  165    H2*    G  16           H2*        G  16   4.530  14.724  -6.586
  166   2HO*    G  16          2HO*        G  16   5.782  15.442  -8.364
  167    H1*    G  16           H1*        G  16   5.009  17.426  -7.368
  168    H8     G  16           H8         G  16   6.980  16.879  -5.837
  169    H1     G  16           H1         G  16   3.207  16.565  -0.674
  170   1H2     G  16          1H2         G  16   1.132  16.656  -1.235
  171   2H2     G  16          2H2         G  16   0.594  16.712  -2.908
  172   1H5*    G  17          1H5*        G  17   5.002  13.051  -8.501
  173   2H5*    G  17          2H5*        G  17   4.723  11.304  -8.426
  174    H4*    G  17           H4*        G  17   6.807  11.928  -7.264
  175    H3*    G  17           H3*        G  17   4.579  10.916  -5.486
  176    H2*    G  17           H2*        G  17   6.279  10.911  -3.691
  177   2HO*    G  17          2HO*        G  17   8.079  10.332  -5.083
  178    H1*    G  17           H1*        G  17   6.999  13.465  -4.187
  179    H8     G  17           H8         G  17   3.415  13.435  -5.286
  180    H1     G  17           H1         G  17   4.053  13.342   1.093
  181   1H2     G  17          1H2         G  17   6.174  13.034   1.638
  182   2H2     G  17          2H2         G  17   7.421  12.810   0.426
  183   1H5*    A  18          1H5*        A  18   8.067   8.740  -4.774
  184   2H5*    A  18          2H5*        A  18   7.792   7.011  -4.487
  185    H4*    A  18           H4*        A  18   8.999   8.088  -2.601
  186    H3*    A  18           H3*        A  18   6.189   7.104  -2.044
  187    H2*    A  18           H2*        A  18   6.728   7.543   0.303
  188   2HO*    A  18          2HO*        A  18   8.801   8.269   0.865
  189    H1*    A  18           H1*        A  18   7.607  10.045  -0.214
  190    H8     A  18           H8         A  18   4.986   9.608  -2.838
  191   1H6     A  18          1H6         A  18   0.791  10.546   1.642
  192   2H6     A  18          2H6         A  18   1.029  10.397  -0.089
  193    H2     A  18           H2         A  18   4.760  10.027   3.557
  194   1H5*    G  19          1H5*        G  19   8.999   5.526   0.642
  195   2H5*    G  19          2H5*        G  19   8.680   3.856   1.144
  196    H4*    G  19           H4*        G  19   8.891   5.411   3.074
  197    H3*    G  19           H3*        G  19   6.149   4.177   2.660
  198    H2*    G  19           H2*        G  19   5.631   5.116   4.845
  199   2HO*    G  19          2HO*        G  19   7.245   6.262   5.986
  200    H1*    G  19           H1*        G  19   6.488   7.589   4.118
  201    H8     G  19           H8         G  19   5.376   6.267   0.825
  202    H1     G  19           H1         G  19   0.448   7.414   4.760
  203   1H2     G  19          1H2         G  19   1.172   7.595   6.848
  204   2H2     G  19          2H2         G  19   2.880   7.540   7.240
  205   1H5*    G  20          1H5*        G  20   7.285   3.502   6.588
  206   2H5*    G  20          2H5*        G  20   7.095   1.787   7.012
  207    H4*    G  20           H4*        G  20   5.982   3.189   8.689
  208    H3*    G  20           H3*        G  20   4.136   1.629   6.857
  209    H2*    G  20           H2*        G  20   2.355   2.318   8.367
  210   2HO*    G  20          2HO*        G  20   2.874   3.527  10.240
  211    H1*    G  20           H1*        G  20   3.133   4.920   8.360
  212    H8     G  20           H8         G  20   3.993   3.883   4.871
  213    H1     G  20           H1         G  20  -2.335   4.329   5.891
  214   1H2     G  20          1H2         G  20  -2.745   4.463   8.061
  215   2H2     G  20          2H2         G  20  -1.451   4.467   9.242
  216   1H5*    A  21          1H5*        A  21   2.850   0.819  10.701
  217   2H5*    A  21          2H5*        A  21   2.623  -0.928  10.929
  218    H4*    A  21           H4*        A  21   0.579   0.272  11.546
  219    H3*    A  21           H3*        A  21   0.409  -1.373   9.000
  220    H2*    A  21           H2*        A  21  -1.955  -0.893   9.014
  221   2HO*    A  21          2HO*        A  21  -2.250  -1.047  11.314
  222    H1*    A  21           H1*        A  21  -1.637   1.761   9.495
  223    H8     A  21           H8         A  21   1.331   0.848   7.379
  224   1H6     A  21          1H6         A  21  -2.565   1.129   2.536
  225   2H6     A  21          2H6         A  21  -0.883   0.984   3.003
  226    H2     A  21           H2         A  21  -4.962   1.290   6.263
  227   1H5*    U  22          1H5*        U  22  -2.798  -5.027   9.338
  228   2H5*    U  22          2H5*        U  22  -2.164  -3.924   8.102
  229    H4*    U  22           H4*        U  22  -4.737  -3.454   9.682
  230    H3*    U  22           H3*        U  22  -4.140  -4.753   7.024
  231    H2*    U  22           H2*        U  22  -6.254  -3.872   6.210
  232   2HO*    U  22          2HO*        U  22  -7.352  -4.108   8.305
  233    H1*    U  22           H1*        U  22  -5.753  -1.361   7.055
  234    H3     U  22           H3         U  22  -4.787  -1.944   2.535
  235    H5     U  22           H5         U  22  -1.161  -2.323   4.628
  236    H6     U  22           H6         U  22  -2.409  -2.368   6.693
  237   1H5*    U  23          1H5*        U  23  -8.084  -5.461   7.470
  238   2H5*    U  23          2H5*        U  23  -8.453  -7.192   7.324
  239    H4*    U  23           H4*        U  23  -9.825  -5.873   5.754
  240    H3*    U  23           H3*        U  23  -7.654  -7.565   4.477
  241    H2*    U  23           H2*        U  23  -8.782  -7.061   2.388
  242   2HO*    U  23          2HO*        U  23 -10.768  -5.942   2.409
  243    H1*    U  23           H1*        U  23  -9.095  -4.384   3.029
  244    H3     U  23           H3         U  23  -6.068  -4.991  -0.383
  245    H5     U  23           H5         U  23  -3.845  -5.147   3.178
  246    H6     U  23           H6         U  23  -5.918  -5.230   4.414
  247   1H5*    U  24          1H5*        U  24 -11.174  -8.742   2.603
  248   2H5*    U  24          2H5*        U  24 -11.244 -10.513   2.474
  249    H4*    U  24           H4*        U  24 -11.475  -9.523   0.249
  250    H3*    U  24           H3*        U  24  -8.769 -10.819   0.718
  251    H2*    U  24           H2*        U  24  -8.474 -10.537  -1.688
  252   2HO*    U  24          2HO*        U  24 -10.686 -10.965  -2.281
  253    H1*    U  24           H1*        U  24  -9.319  -7.947  -1.631
  254    H3     U  24           H3         U  24  -4.833  -7.710  -2.124
  255    H5     U  24           H5         U  24  -5.335  -8.657   1.932
  256    H6     U  24           H6         U  24  -7.704  -8.906   1.520
  257   1H5*    G  25          1H5*        G  25 -10.775 -12.614  -2.746
  258   2H5*    G  25          2H5*        G  25 -10.415 -14.349  -2.807
  259    H4*    G  25           H4*        G  25  -9.957 -13.259  -4.966
  260    H3*    G  25           H3*        G  25  -7.490 -14.224  -3.486
  261    H2*    G  25           H2*        G  25  -6.345 -13.789  -5.594
  262   2HO*    G  25          2HO*        G  25  -7.542 -13.095  -7.402
  263    H1*    G  25           H1*        G  25  -7.415 -11.307  -5.832
  264    H8     G  25           H8         G  25  -7.103 -11.876  -2.128
  265    H1     G  25           H1         G  25  -1.509 -10.533  -4.969
  266   1H2     G  25          1H2         G  25  -1.722 -10.694  -7.168
  267   2H2     G  25          2H2         G  25  -3.255 -11.086  -7.922
  268   1H5*    G  26          1H5*        G  26  -7.662 -15.946  -7.309
  269   2H5*    G  26          2H5*        G  26  -7.150 -17.644  -7.349
  270    H4*    G  26           H4*        G  26  -5.866 -16.301  -8.967
  271    H3*    G  26           H3*        G  26  -4.307 -17.337  -6.596
  272    H2*    G  26           H2*        G  26  -2.323 -16.504  -7.815
  273   2HO*    G  26          2HO*        G  26  -3.119 -17.060  -9.941
  274    H1*    G  26           H1*        G  26  -3.413 -14.096  -8.297
  275    H8     G  26           H8         G  26  -4.959 -15.032  -5.005
  276    H1     G  26           H1         G  26   1.107 -13.004  -4.530
  277   1H2     G  26          1H2         G  26   2.070 -13.022  -6.529
  278   2H2     G  26          2H2         G  26   1.188 -13.471  -7.975
  279   1H5*    C  27          1H5*        C  27  -2.316 -18.759 -10.003
  280   2H5*    C  27          2H5*        C  27  -1.754 -20.435  -9.802
  281    H4*    C  27           H4*        C  27   0.150 -18.935 -10.243
  282    H3*    C  27           H3*        C  27  -0.003 -20.007  -7.406
  283    H2*    C  27           H2*        C  27   2.213 -19.018  -7.127
  284   2HO*    C  27          2HO*        C  27   2.942 -19.501  -9.304
  285    H1*    C  27           H1*        C  27   1.469 -16.641  -8.216
  286   1H4     C  27          1H4         C  27   0.178 -16.086  -2.028
  287   2H4     C  27          2H4         C  27  -1.479 -16.574  -2.329
  288    H5     C  27           H5         C  27  -2.251 -17.362  -4.524
  289    H6     C  27           H6         C  27  -1.564 -17.863  -6.771
  290   1H5*    C  28          1H5*        C  28   3.817 -20.997  -8.796
  291   2H5*    C  28          2H5*        C  28   4.331 -22.614  -8.277
  292    H4*    C  28           H4*        C  28   5.927 -20.910  -7.509
  293    H3*    C  28           H3*        C  28   4.259 -22.177  -5.313
  294    H2*    C  28           H2*        C  28   5.761 -21.050  -3.781
  295   2HO*    C  28          2HO*        C  28   7.689 -21.374  -5.076
  296    H1*    C  28           H1*        C  28   5.635 -18.669  -5.115
  297   1H4     C  28          1H4         C  28   1.135 -18.715  -0.618
  298   2H4     C  28          2H4         C  28  -0.023 -19.403  -1.742
  299    H5     C  28           H5         C  28   0.594 -20.077  -4.022
  300    H6     C  28           H6         C  28   2.423 -20.241  -5.595
  301    H3T    C  28           H3T        C  28   6.181 -23.427  -5.118
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   5.359 -14.556   8.709
    2   2H5*    G   1          2H5*        G   1   5.493 -12.866   8.185
    3    H4*    G   1           H4*        G   1   7.300 -14.131   7.190
    4    H3*    G   1           H3*        G   1   5.131 -13.394   5.202
    5    H2*    G   1           H2*        G   1   6.669 -14.221   3.505
    6   2HO*    G   1          2HO*        G   1   8.620 -13.466   4.599
    7    H1*    G   1           H1*        G   1   7.143 -16.538   4.810
    8    H8     G   1           H8         G   1   3.646 -15.848   5.877
    9    H1     G   1           H1         G   1   4.044 -17.614  -0.280
   10   1H2     G   1          1H2         G   1   6.155 -17.512  -0.958
   11   2H2     G   1          2H2         G   1   7.453 -17.056   0.130
   12    H5T    G   1           H5T        G   1   3.347 -13.660   8.033
   13   1H5*    G   2          1H5*        G   2   8.758 -12.125   3.558
   14   2H5*    G   2          2H5*        G   2   8.632 -10.483   2.903
   15    H4*    G   2           H4*        G   2   9.496 -12.046   1.208
   16    H3*    G   2           H3*        G   2   6.716 -10.945   0.723
   17    H2*    G   2           H2*        G   2   6.917 -11.962  -1.510
   18   2HO*    G   2          2HO*        G   2   9.210 -11.506  -1.738
   19    H1*    G   2           H1*        G   2   7.779 -14.332  -0.541
   20    H8     G   2           H8         G   2   5.482 -13.211   2.186
   21    H1     G   2           H1         G   2   2.377 -15.243  -3.053
   22   1H2     G   2          1H2         G   2   3.791 -15.401  -4.755
   23   2H2     G   2          2H2         G   2   5.491 -15.019  -4.581
   24   1H5*    C   3          1H5*        C   3   8.966 -10.071  -2.632
   25   2H5*    C   3          2H5*        C   3   8.646  -8.456  -3.297
   26    H4*    C   3           H4*        C   3   8.200 -10.238  -4.964
   27    H3*    C   3           H3*        C   3   5.765  -8.732  -3.962
   28    H2*    C   3           H2*        C   3   4.572  -9.895  -5.761
   29   2HO*    C   3          2HO*        C   3   6.344  -9.823  -7.290
   30    H1*    C   3           H1*        C   3   5.648 -12.325  -5.098
   31   1H4     C   3          1H4         C   3   0.329 -11.870  -1.678
   32   2H4     C   3          2H4         C   3   1.242 -11.229  -0.325
   33    H5     C   3           H5         C   3   3.618 -10.659  -0.490
   34    H6     C   3           H6         C   3   5.531 -10.624  -1.969
   35   1H5*    C   4          1H5*        C   4   5.848  -8.313  -8.058
   36   2H5*    C   4          2H5*        C   4   5.378  -6.692  -8.612
   37    H4*    C   4           H4*        C   4   3.882  -8.433  -9.540
   38    H3*    C   4           H3*        C   4   2.599  -6.588  -7.487
   39    H2*    C   4           H2*        C   4   0.522  -7.620  -8.153
   40   2HO*    C   4          2HO*        C   4   0.980  -7.764 -10.410
   41    H1*    C   4           H1*        C   4   1.554 -10.165  -8.090
   42   1H4     C   4          1H4         C   4  -0.971  -9.275  -2.360
   43   2H4     C   4          2H4         C   4   0.487  -8.479  -1.797
   44    H5     C   4           H5         C   4   2.382  -7.998  -3.270
   45    H6     C   4           H6         C   4   3.204  -8.169  -5.539
   46   1H5*    A   5          1H5*        A   5  -1.025  -3.957  -9.837
   47   2H5*    A   5          2H5*        A   5  -0.726  -4.779  -8.291
   48    H4*    A   5           H4*        A   5  -2.161  -5.992 -10.695
   49    H3*    A   5           H3*        A   5  -3.025  -4.629  -8.165
   50    H2*    A   5           H2*        A   5  -4.701  -6.284  -7.712
   51   2HO*    A   5          2HO*        A   5  -4.071  -7.312 -10.309
   52    H1*    A   5           H1*        A   5  -3.155  -8.430  -8.134
   53    H8     A   5           H8         A   5  -0.429  -6.279  -6.880
   54   1H6     A   5          1H6         A   5  -3.033  -6.866  -1.243
   55   2H6     A   5          2H6         A   5  -1.598  -6.313  -2.092
   56    H2     A   5           H2         A   5  -5.922  -8.300  -4.254
   57   1H5*    U   6          1H5*        U   6  -6.551  -5.587  -8.995
   58   2H5*    U   6          2H5*        U   6  -7.624  -4.186  -9.202
   59    H4*    U   6           H4*        U   6  -8.473  -5.609  -7.400
   60    H3*    U   6           H3*        U   6  -7.256  -2.982  -6.496
   61    H2*    U   6           H2*        U   6  -8.120  -3.503  -4.305
   62   2HO*    U   6          2HO*        U   6 -10.145  -4.368  -5.018
   63    H1*    U   6           H1*        U   6  -7.341  -6.150  -4.398
   64    H3     U   6           H3         U   6  -4.573  -4.110  -1.402
   65    H5     U   6           H5         U   6  -2.945  -3.204  -5.166
   66    H6     U   6           H6         U   6  -4.916  -4.146  -6.186
   67   1H5*    C   7          1H5*        C   7 -10.733  -0.030  -4.529
   68   2H5*    C   7          2H5*        C   7  -9.076  -0.535  -4.151
   69    H4*    C   7           H4*        C   7 -11.606  -1.592  -2.799
   70    H3*    C   7           H3*        C   7  -9.529   0.489  -2.105
   71    H2*    C   7           H2*        C   7  -9.744  -0.139   0.225
   72   2HO*    C   7          2HO*        C   7 -12.067  -0.517   0.113
   73    H1*    C   7           H1*        C   7  -9.596  -2.807  -0.242
   74   1H4     C   7          1H4         C   7  -3.544  -0.983   0.383
   75   2H4     C   7          2H4         C   7  -3.407  -0.845  -1.358
   76    H5     C   7           H5         C   7  -5.328  -1.083  -2.863
   77    H6     C   7           H6         C   7  -7.697  -1.505  -2.961
   78   1H5*    U   8          1H5*        U   8 -12.596   0.943   0.798
   79   2H5*    U   8          2H5*        U   8 -12.994   2.663   0.998
   80    H4*    U   8           H4*        U   8 -12.366   1.648   3.162
   81    H3*    U   8           H3*        U   8 -10.392   3.644   2.016
   82    H2*    U   8           H2*        U   8  -9.250   3.488   4.138
   83   2HO*    U   8          2HO*        U   8 -11.137   3.416   5.469
   84    H1*    U   8           H1*        U   8  -9.453   0.758   4.292
   85    H3     U   8           H3         U   8  -5.076   1.427   3.491
   86    H5     U   8           H5         U   8  -6.886   2.224  -0.211
   87    H6     U   8           H6         U   8  -9.042   2.047   0.869
   88   1H5*    U   9          1H5*        U   9  -9.870   7.370   5.414
   89   2H5*    U   9          2H5*        U   9  -8.930   6.569   4.140
   90    H4*    U   9           H4*        U   9  -9.041   5.659   7.052
   91    H3*    U   9           H3*        U   9  -7.092   7.337   5.465
   92    H2*    U   9           H2*        U   9  -5.308   6.378   6.818
   93   2HO*    U   9          2HO*        U   9  -6.582   6.270   8.795
   94    H1*    U   9           H1*        U   9  -6.138   3.834   6.463
   95    H3     U   9           H3         U   9  -2.656   4.709   3.548
   96    H5     U   9           H5         U   9  -6.194   5.545   1.447
   97    H6     U   9           H6         U   9  -7.407   5.366   3.523
   98   1H5*    C  10          1H5*        C  10  -5.907   7.668   9.521
   99   2H5*    C  10          2H5*        C  10  -5.575   9.364   9.923
  100    H4*    C  10           H4*        C  10  -3.639   7.943  10.467
  101    H3*    C  10           H3*        C  10  -3.240   9.822   8.119
  102    H2*    C  10           H2*        C  10  -0.897   9.179   8.273
  103   2HO*    C  10          2HO*        C  10  -0.825   9.033  10.603
  104    H1*    C  10           H1*        C  10  -1.452   6.531   8.451
  105   1H4     C  10          1H4         C  10  -0.720   7.778   2.286
  106   2H4     C  10          2H4         C  10  -2.438   8.088   2.109
  107    H5     C  10           H5         C  10  -3.969   8.138   4.032
  108    H6     C  10           H6         C  10  -4.116   7.891   6.429
  109   1H5*    U  11          1H5*        U  11  -0.208  10.420  11.171
  110   2H5*    U  11          2H5*        U  11   0.183  12.139  11.351
  111    H4*    U  11           H4*        U  11   2.219  10.794  11.008
  112    H3*    U  11           H3*        U  11   1.487  12.641   8.707
  113    H2*    U  11           H2*        U  11   3.706  12.104   7.866
  114   2HO*    U  11          2HO*        U  11   4.708  12.022  10.003
  115    H1*    U  11           H1*        U  11   3.409   9.433   8.260
  116    H3     U  11           H3         U  11   2.923  10.161   3.777
  117    H5     U  11           H5         U  11  -0.882  10.852   5.422
  118    H6     U  11           H6         U  11   0.107  10.731   7.620
  119   1H5*    C  12          1H5*        C  12   5.427  13.588   9.741
  120   2H5*    C  12          2H5*        C  12   5.648  15.352   9.759
  121    H4*    C  12           H4*        C  12   7.239  14.310   8.188
  122    H3*    C  12           H3*        C  12   4.987  15.902   6.921
  123    H2*    C  12           H2*        C  12   6.167  15.622   4.843
  124   2HO*    C  12          2HO*        C  12   8.271  14.710   4.829
  125    H1*    C  12           H1*        C  12   6.807  12.971   5.315
  126   1H4     C  12          1H4         C  12   1.749  13.265   1.510
  127   2H4     C  12          2H4         C  12   0.660  13.378   2.882
  128    H5     C  12           H5         C  12   1.479  13.546   5.197
  129    H6     C  12           H6         C  12   3.467  13.653   6.577
  130   1H5*    U  13          1H5*        U  13   7.724  17.388   4.762
  131   2H5*    U  13          2H5*        U  13   7.687  19.163   4.760
  132    H4*    U  13           H4*        U  13   7.308  18.351   2.490
  133    H3*    U  13           H3*        U  13   4.842  19.485   3.840
  134    H2*    U  13           H2*        U  13   3.786  19.331   1.685
  135   2HO*    U  13          2HO*        U  13   5.587  20.024   0.438
  136    H1*    U  13           H1*        U  13   4.775  16.829   1.137
  137    H3     U  13           H3         U  13   0.296  16.406   2.005
  138    H5     U  13           H5         U  13   2.080  16.749   5.792
  139    H6     U  13           H6         U  13   4.187  17.204   4.697
  140   1H5*    U  14          1H5*        U  14   6.595  23.987   0.769
  141   2H5*    U  14          2H5*        U  14   4.971  23.798   0.091
  142    H4*    U  14           H4*        U  14   6.496  24.232  -1.706
  143    H3*    U  14           H3*        U  14   4.828  22.059  -1.795
  144    H2*    U  14           H2*        U  14   6.455  20.501  -1.010
  145   2HO*    U  14          2HO*        U  14   5.721  19.742  -3.055
  146    H1*    U  14           H1*        U  14   8.476  21.794  -2.835
  147    H3     U  14           H3         U  14  11.977  19.363  -1.378
  148    H5     U  14           H5         U  14   9.239  19.042   1.795
  149    H6     U  14           H6         U  14   7.756  20.527   0.588
  150   1H5*    C  15          1H5*        C  15   4.866  20.798  -4.941
  151   2H5*    C  15          2H5*        C  15   4.134  21.685  -6.289
  152    H4*    C  15           H4*        C  15   3.213  19.470  -6.146
  153    H3*    C  15           H3*        C  15   1.567  21.646  -6.408
  154    H2*    C  15           H2*        C  15   1.345  21.932  -4.004
  155   2HO*    C  15          2HO*        C  15  -0.848  20.377  -4.957
  156    H1*    C  15           H1*        C  15   0.755  18.955  -3.892
  157   1H4     C  15          1H4         C  15   0.778  20.196   2.355
  158   2H4     C  15          2H4         C  15   2.223  21.182   2.198
  159    H5     C  15           H5         C  15   3.240  21.714   0.053
  160    H6     C  15           H6         C  15   3.125  21.303  -2.343
  161   1H5*    G  16          1H5*        G  16   0.218  15.947  -7.790
  162   2H5*    G  16          2H5*        G  16   0.546  16.964  -6.376
  163    H4*    G  16           H4*        G  16   2.525  16.907  -8.660
  164    H3*    G  16           H3*        G  16   2.365  14.854  -6.425
  165    H2*    G  16           H2*        G  16   4.745  14.712  -6.793
  166   2HO*    G  16          2HO*        G  16   4.500  14.770  -9.169
  167    H1*    G  16           H1*        G  16   4.937  17.476  -7.364
  168    H8     G  16           H8         G  16   7.020  16.849  -5.984
  169    H1     G  16           H1         G  16   3.533  16.333  -0.642
  170   1H2     G  16          1H2         G  16   1.422  16.396  -1.097
  171   2H2     G  16          2H2         G  16   0.802  16.490  -2.738
  172   1H5*    G  17          1H5*        G  17   5.130  13.151  -8.613
  173   2H5*    G  17          2H5*        G  17   4.940  11.389  -8.645
  174    H4*    G  17           H4*        G  17   7.044  12.012  -7.541
  175    H3*    G  17           H3*        G  17   4.923  10.862  -5.716
  176    H2*    G  17           H2*        G  17   6.705  10.805  -4.003
  177   2HO*    G  17          2HO*        G  17   8.450  10.326  -5.494
  178    H1*    G  17           H1*        G  17   7.356  13.398  -4.418
  179    H8     G  17           H8         G  17   3.718  13.314  -5.330
  180    H1     G  17           H1         G  17   4.714  13.080   0.998
  181   1H2     G  17          1H2         G  17   6.868  12.794   1.414
  182   2H2     G  17          2H2         G  17   8.045  12.601   0.130
  183   1H5*    A  18          1H5*        A  18   8.416   8.644  -5.294
  184   2H5*    A  18          2H5*        A  18   8.132   6.900  -5.123
  185    H4*    A  18           H4*        A  18   9.403   7.796  -3.196
  186    H3*    A  18           H3*        A  18   6.561   6.912  -2.618
  187    H2*    A  18           H2*        A  18   7.206   7.155  -0.270
  188   2HO*    A  18          2HO*        A  18   9.336   7.738   0.257
  189    H1*    A  18           H1*        A  18   8.194   9.644  -0.662
  190    H8     A  18           H8         A  18   5.425   9.457  -3.170
  191   1H6     A  18          1H6         A  18   1.527  10.360   1.586
  192   2H6     A  18          2H6         A  18   1.654  10.279  -0.161
  193    H2     A  18           H2         A  18   5.570   9.607   3.241
  194   1H5*    G  19          1H5*        G  19   9.353   4.958  -0.169
  195   2H5*    G  19          2H5*        G  19   8.935   3.281   0.224
  196    H4*    G  19           H4*        G  19   9.318   4.676   2.249
  197    H3*    G  19           H3*        G  19   6.473   3.677   1.865
  198    H2*    G  19           H2*        G  19   6.125   4.492   4.134
  199   2HO*    G  19          2HO*        G  19   8.280   3.986   4.921
  200    H1*    G  19           H1*        G  19   7.140   6.937   3.536
  201    H8     G  19           H8         G  19   5.776   5.937   0.217
  202    H1     G  19           H1         G  19   1.154   7.198   4.475
  203   1H2     G  19          1H2         G  19   1.999   7.183   6.532
  204   2H2     G  19          2H2         G  19   3.713   6.963   6.822
  205   1H5*    G  20          1H5*        G  20   7.676   2.466   5.707
  206   2H5*    G  20          2H5*        G  20   7.313   0.740   5.917
  207    H4*    G  20           H4*        G  20   6.374   2.035   7.783
  208    H3*    G  20           H3*        G  20   4.334   0.924   5.832
  209    H2*    G  20           H2*        G  20   2.683   1.581   7.503
  210   2HO*    G  20          2HO*        G  20   3.380   2.464   9.484
  211    H1*    G  20           H1*        G  20   3.735   4.072   7.766
  212    H8     G  20           H8         G  20   4.360   3.402   4.142
  213    H1     G  20           H1         G  20  -1.860   4.281   5.519
  214   1H2     G  20          1H2         G  20  -2.165   4.211   7.705
  215   2H2     G  20          2H2         G  20  -0.831   3.974   8.817
  216   1H5*    A  21          1H5*        A  21   3.195  -0.308   9.675
  217   2H5*    A  21          2H5*        A  21   2.724  -2.021   9.673
  218    H4*    A  21           H4*        A  21   0.940  -0.640  10.651
  219    H3*    A  21           H3*        A  21   0.296  -1.816   7.932
  220    H2*    A  21           H2*        A  21  -1.986  -1.047   8.385
  221   2HO*    A  21          2HO*        A  21  -1.826  -1.440  10.737
  222    H1*    A  21           H1*        A  21  -1.170   1.443   9.021
  223    H8     A  21           H8         A  21   1.403   0.372   6.513
  224   1H6     A  21          1H6         A  21  -2.928   1.442   2.175
  225   2H6     A  21          2H6         A  21  -1.229   1.093   2.432
  226    H2     A  21           H2         A  21  -4.880   1.555   6.147
  227   1H5*    U  22          1H5*        U  22  -2.993  -2.579  10.100
  228   2H5*    U  22          2H5*        U  22  -3.422  -4.296  10.041
  229    H4*    U  22           H4*        U  22  -5.344  -2.870   9.444
  230    H3*    U  22           H3*        U  22  -4.202  -4.495   7.152
  231    H2*    U  22           H2*        U  22  -6.292  -3.877   6.028
  232   2HO*    U  22          2HO*        U  22  -7.612  -3.998   7.974
  233    H1*    U  22           H1*        U  22  -6.068  -1.249   6.783
  234    H3     U  22           H3         U  22  -5.187  -1.597   2.305
  235    H5     U  22           H5         U  22  -1.537  -2.427   4.217
  236    H6     U  22           H6         U  22  -2.716  -2.491   6.327
  237   1H5*    U  23          1H5*        U  23  -8.370  -5.387   7.703
  238   2H5*    U  23          2H5*        U  23  -8.612  -7.141   7.601
  239    H4*    U  23           H4*        U  23 -10.181  -5.939   6.117
  240    H3*    U  23           H3*        U  23  -8.018  -7.551   4.728
  241    H2*    U  23           H2*        U  23  -9.321  -7.164   2.711
  242   2HO*    U  23          2HO*        U  23 -11.401  -7.411   3.787
  243    H1*    U  23           H1*        U  23  -9.776  -4.505   3.315
  244    H3     U  23           H3         U  23  -6.987  -4.756  -0.299
  245    H5     U  23           H5         U  23  -4.480  -5.069   3.059
  246    H6     U  23           H6         U  23  -6.448  -5.306   4.444
  247   1H5*    U  24          1H5*        U  24 -11.589  -9.089   3.119
  248   2H5*    U  24          2H5*        U  24 -11.485 -10.861   3.058
  249    H4*    U  24           H4*        U  24 -11.913  -9.989   0.810
  250    H3*    U  24           H3*        U  24  -9.078 -11.000   1.198
  251    H2*    U  24           H2*        U  24  -8.919 -10.795  -1.227
  252   2HO*    U  24          2HO*        U  24 -10.756 -10.189  -2.428
  253    H1*    U  24           H1*        U  24 -10.005  -8.294  -1.227
  254    H3     U  24           H3         U  24  -5.593  -7.590  -1.910
  255    H5     U  24           H5         U  24  -5.827  -8.518   2.175
  256    H6     U  24           H6         U  24  -8.170  -9.017   1.870
  257   1H5*    G  25          1H5*        G  25 -11.034 -12.961  -2.084
  258   2H5*    G  25          2H5*        G  25 -10.596 -14.676  -2.180
  259    H4*    G  25           H4*        G  25 -10.288 -13.561  -4.350
  260    H3*    G  25           H3*        G  25  -7.712 -14.393  -2.979
  261    H2*    G  25           H2*        G  25  -6.674 -13.872  -5.128
  262   2HO*    G  25          2HO*        G  25  -8.465 -14.624  -6.443
  263    H1*    G  25           H1*        G  25  -7.898 -11.462  -5.310
  264    H8     G  25           H8         G  25  -7.416 -11.990  -1.620
  265    H1     G  25           H1         G  25  -2.019 -10.349  -4.674
  266   1H2     G  25          1H2         G  25  -2.293 -10.576  -6.862
  267   2H2     G  25          2H2         G  25  -3.824 -11.078  -7.554
  268   1H5*    G  26          1H5*        G  26  -7.893 -16.228  -6.819
  269   2H5*    G  26          2H5*        G  26  -7.234 -17.875  -6.803
  270    H4*    G  26           H4*        G  26  -6.104 -16.459  -8.487
  271    H3*    G  26           H3*        G  26  -4.420 -17.344  -6.143
  272    H2*    G  26           H2*        G  26  -2.531 -16.401  -7.441
  273   2HO*    G  26          2HO*        G  26  -3.351 -17.041  -9.528
  274    H1*    G  26           H1*        G  26  -3.795 -14.082  -7.915
  275    H8     G  26           H8         G  26  -5.200 -15.041  -4.573
  276    H1     G  26           H1         G  26   0.758 -12.680  -4.281
  277   1H2     G  26          1H2         G  26   1.669 -12.671  -6.302
  278   2H2     G  26          2H2         G  26   0.778 -13.192  -7.719
  279   1H5*    C  27          1H5*        C  27  -2.441 -18.664  -9.592
  280   2H5*    C  27          2H5*        C  27  -1.755 -20.293  -9.396
  281    H4*    C  27           H4*        C  27   0.020 -18.672  -9.924
  282    H3*    C  27           H3*        C  27   0.047 -19.715  -7.073
  283    H2*    C  27           H2*        C  27   2.189 -18.576  -6.878
  284   2HO*    C  27          2HO*        C  27   3.096 -17.554  -8.700
  285    H1*    C  27           H1*        C  27   1.246 -16.263  -7.964
  286   1H4     C  27          1H4         C  27   0.165 -15.765  -1.731
  287   2H4     C  27          2H4         C  27  -1.468 -16.357  -1.969
  288    H5     C  27           H5         C  27  -2.274 -17.199  -4.135
  289    H6     C  27           H6         C  27  -1.639 -17.669  -6.404
  290   1H5*    C  28          1H5*        C  28   3.821 -20.334  -8.612
  291   2H5*    C  28          2H5*        C  28   4.528 -21.903  -8.183
  292    H4*    C  28           H4*        C  28   6.000 -20.084  -7.452
  293    H3*    C  28           H3*        C  28   4.573 -21.524  -5.190
  294    H2*    C  28           H2*        C  28   6.033 -20.286  -3.715
  295   2HO*    C  28          2HO*        C  28   7.917 -20.418  -5.105
  296    H1*    C  28           H1*        C  28   5.627 -17.906  -5.004
  297   1H4     C  28          1H4         C  28   1.350 -18.358  -0.324
  298   2H4     C  28          2H4         C  28   0.203 -19.124  -1.410
  299    H5     C  28           H5         C  28   0.781 -19.746  -3.713
  300    H6     C  28           H6         C  28   2.551 -19.759  -5.357
  301    H3T    C  28           H3T        C  28   5.996 -22.798  -6.464
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   5.291 -16.430   8.497
    2   2H5*    G   1          2H5*        G   1   5.652 -14.747   8.072
    3    H4*    G   1           H4*        G   1   7.257 -16.185   6.974
    4    H3*    G   1           H3*        G   1   5.193 -15.039   5.068
    5    H2*    G   1           H2*        G   1   6.581 -15.970   3.300
    6   2HO*    G   1          2HO*        G   1   8.628 -15.549   4.400
    7    H1*    G   1           H1*        G   1   6.749 -18.400   4.463
    8    H8     G   1           H8         G   1   3.390 -17.295   5.626
    9    H1     G   1           H1         G   1   3.478 -18.796  -0.612
   10   1H2     G   1          1H2         G   1   5.578 -18.932  -1.324
   11   2H2     G   1          2H2         G   1   6.936 -18.706  -0.240
   12    H5T    G   1           H5T        G   1   3.412 -15.223   7.911
   13   1H5*    G   2          1H5*        G   2   8.952 -14.178   3.430
   14   2H5*    G   2          2H5*        G   2   9.049 -12.484   2.911
   15    H4*    G   2           H4*        G   2   9.674 -13.982   1.070
   16    H3*    G   2           H3*        G   2   7.030 -12.531   0.764
   17    H2*    G   2           H2*        G   2   7.053 -13.361  -1.543
   18   2HO*    G   2          2HO*        G   2   8.863 -14.495  -2.306
   19    H1*    G   2           H1*        G   2   7.674 -15.894  -0.812
   20    H8     G   2           H8         G   2   5.564 -14.716   2.054
   21    H1     G   2           H1         G   2   2.171 -16.117  -3.214
   22   1H2     G   2          1H2         G   2   3.531 -16.346  -4.950
   23   2H2     G   2          2H2         G   2   5.265 -16.146  -4.797
   24   1H5*    C   3          1H5*        C   3   9.326 -11.697  -2.543
   25   2H5*    C   3          2H5*        C   3   9.224 -10.012  -3.098
   26    H4*    C   3           H4*        C   3   8.542 -11.572  -4.886
   27    H3*    C   3           H3*        C   3   6.298  -9.899  -3.708
   28    H2*    C   3           H2*        C   3   4.959 -10.769  -5.563
   29   2HO*    C   3          2HO*        C   3   6.687 -10.744  -7.133
   30    H1*    C   3           H1*        C   3   5.781 -13.349  -5.145
   31   1H4     C   3          1H4         C   3   0.571 -12.658  -1.593
   32   2H4     C   3          2H4         C   3   1.554 -12.179  -0.223
   33    H5     C   3           H5         C   3   3.963 -11.798  -0.396
   34    H6     C   3           H6         C   3   5.857 -11.840  -1.896
   35   1H5*    C   4          1H5*        C   4   6.345  -9.048  -7.794
   36   2H5*    C   4          2H5*        C   4   5.973  -7.343  -8.131
   37    H4*    C   4           H4*        C   4   4.319  -8.847  -9.190
   38    H3*    C   4           H3*        C   4   3.233  -7.240  -6.854
   39    H2*    C   4           H2*        C   4   1.062  -8.037  -7.653
   40   2HO*    C   4          2HO*        C   4   1.565  -7.972  -9.925
   41    H1*    C   4           H1*        C   4   1.928 -10.613  -7.836
   42   1H4     C   4          1H4         C   4  -0.474  -9.859  -2.019
   43   2H4     C   4          2H4         C   4   1.052  -9.238  -1.421
   44    H5     C   4           H5         C   4   2.989  -8.868  -2.880
   45    H6     C   4           H6         C   4   3.781  -8.979  -5.164
   46   1H5*    A   5          1H5*        A   5   0.888  -6.404 -10.370
   47   2H5*    A   5          2H5*        A   5   0.212  -4.764 -10.331
   48    H4*    A   5           H4*        A   5  -1.528  -6.570 -10.502
   49    H3*    A   5           H3*        A   5  -1.560  -4.860  -7.998
   50    H2*    A   5           H2*        A   5  -3.675  -6.003  -7.509
   51   2HO*    A   5          2HO*        A   5  -4.320  -6.147  -9.797
   52    H1*    A   5           H1*        A   5  -2.625  -8.461  -7.942
   53    H8     A   5           H8         A   5   0.306  -6.603  -6.534
   54   1H6     A   5          1H6         A   5  -2.498  -7.249  -1.008
   55   2H6     A   5          2H6         A   5  -0.995  -6.797  -1.791
   56    H2     A   5           H2         A   5  -5.411  -8.260  -4.174
   57   1H5*    U   6          1H5*        U   6  -5.463  -5.064  -8.897
   58   2H5*    U   6          2H5*        U   6  -6.185  -3.447  -8.992
   59    H4*    U   6           H4*        U   6  -7.428  -4.859  -7.411
   60    H3*    U   6           H3*        U   6  -5.840  -2.608  -6.150
   61    H2*    U   6           H2*        U   6  -7.087  -3.155  -4.120
   62   2HO*    U   6          2HO*        U   6  -9.082  -3.677  -5.270
   63    H1*    U   6           H1*        U   6  -6.643  -5.835  -4.367
   64    H3     U   6           H3         U   6  -3.859  -4.374  -1.059
   65    H5     U   6           H5         U   6  -1.850  -3.469  -4.636
   66    H6     U   6           H6         U   6  -3.849  -4.075  -5.845
   67   1H5*    C   7          1H5*        C   7  -9.947  -2.402  -4.870
   68   2H5*    C   7          2H5*        C   7 -10.501  -0.721  -4.993
   69    H4*    C   7           H4*        C   7 -10.999  -1.618  -2.760
   70    H3*    C   7           H3*        C   7  -8.820   0.485  -2.880
   71    H2*    C   7           H2*        C   7  -8.939   0.512  -0.469
   72   2HO*    C   7          2HO*        C   7 -11.227   0.366  -0.293
   73    H1*    C   7           H1*        C   7  -9.110  -2.233  -0.242
   74   1H4     C   7          1H4         C   7  -2.942  -0.989   0.519
   75   2H4     C   7          2H4         C   7  -2.719  -0.849  -1.213
   76    H5     C   7           H5         C   7  -4.566  -0.979  -2.798
   77    H6     C   7           H6         C   7  -6.955  -1.260  -3.021
   78   1H5*    U   8          1H5*        U   8 -11.053   4.386  -0.053
   79   2H5*    U   8          2H5*        U   8  -9.398   3.778  -0.238
   80    H4*    U   8           H4*        U   8 -11.391   2.949   1.923
   81    H3*    U   8           H3*        U   8  -8.968   4.743   1.784
   82    H2*    U   8           H2*        U   8  -8.284   4.008   3.964
   83   2HO*    U   8          2HO*        U   8 -10.517   3.929   4.786
   84    H1*    U   8           H1*        U   8  -8.692   1.378   3.553
   85    H3     U   8           H3         U   8  -4.206   2.124   3.353
   86    H5     U   8           H5         U   8  -5.596   2.618  -0.579
   87    H6     U   8           H6         U   8  -7.855   2.560   0.270
   88   1H5*    U   9          1H5*        U   9 -10.202   5.288   5.693
   89   2H5*    U   9          2H5*        U   9 -10.084   6.988   6.182
   90    H4*    U   9           H4*        U   9  -8.601   5.517   7.534
   91    H3*    U   9           H3*        U   9  -7.203   7.486   5.703
   92    H2*    U   9           H2*        U   9  -5.169   6.807   6.874
   93   2HO*    U   9          2HO*        U   9  -6.170   6.579   8.974
   94    H1*    U   9           H1*        U   9  -5.729   4.146   6.660
   95    H3     U   9           H3         U   9  -2.432   4.941   3.638
   96    H5     U   9           H5         U   9  -5.938   6.257   1.737
   97    H6     U   9           H6         U   9  -7.125   5.921   3.808
   98   1H5*    C  10          1H5*        C  10  -5.830   7.959   9.887
   99   2H5*    C  10          2H5*        C  10  -5.610   9.689  10.202
  100    H4*    C  10           H4*        C  10  -3.585   8.435  10.813
  101    H3*    C  10           H3*        C  10  -3.289  10.206   8.367
  102    H2*    C  10           H2*        C  10  -0.906   9.723   8.587
  103   2HO*    C  10          2HO*        C  10  -0.878   9.709  10.928
  104    H1*    C  10           H1*        C  10  -1.294   7.058   8.897
  105   1H4     C  10          1H4         C  10  -0.655   7.876   2.655
  106   2H4     C  10          2H4         C  10  -2.360   8.241   2.480
  107    H5     C  10           H5         C  10  -3.858   8.468   4.412
  108    H6     C  10           H6         C  10  -3.979   8.360   6.828
  109   1H5*    U  11          1H5*        U  11  -0.307  11.172  11.339
  110   2H5*    U  11          2H5*        U  11   0.058  12.905  11.364
  111    H4*    U  11           H4*        U  11   2.100  11.548  11.067
  112    H3*    U  11           H3*        U  11   1.304  13.236   8.672
  113    H2*    U  11           H2*        U  11   3.511  12.651   7.820
  114   2HO*    U  11          2HO*        U  11   4.551  12.707   9.941
  115    H1*    U  11           H1*        U  11   3.228  10.011   8.389
  116    H3     U  11           H3         U  11   2.651  10.437   3.881
  117    H5     U  11           H5         U  11  -1.115  11.264   5.549
  118    H6     U  11           H6         U  11  -0.082  11.289   7.730
  119   1H5*    C  12          1H5*        C  12   5.284  14.223   9.552
  120   2H5*    C  12          2H5*        C  12   5.514  15.981   9.445
  121    H4*    C  12           H4*        C  12   7.074  14.814   7.924
  122    H3*    C  12           H3*        C  12   4.827  16.373   6.609
  123    H2*    C  12           H2*        C  12   5.935  15.931   4.520
  124   2HO*    C  12          2HO*        C  12   8.106  16.247   5.425
  125    H1*    C  12           H1*        C  12   6.529  13.302   5.123
  126   1H4     C  12          1H4         C  12   1.291  13.447   1.550
  127   2H4     C  12          2H4         C  12   0.276  13.670   2.964
  128    H5     C  12           H5         C  12   1.213  13.970   5.218
  129    H6     C  12           H6         C  12   3.266  14.135   6.488
  130   1H5*    U  13          1H5*        U  13   7.510  17.717   4.234
  131   2H5*    U  13          2H5*        U  13   7.421  19.484   4.114
  132    H4*    U  13           H4*        U  13   6.923  18.478   1.937
  133    H3*    U  13           H3*        U  13   4.498  19.665   3.323
  134    H2*    U  13           H2*        U  13   3.406  19.368   1.182
  135   2HO*    U  13          2HO*        U  13   4.661  18.516  -0.582
  136    H1*    U  13           H1*        U  13   4.337  16.809   0.876
  137    H3     U  13           H3         U  13  -0.105  16.591   1.998
  138    H5     U  13           H5         U  13   1.889  17.227   5.642
  139    H6     U  13           H6         U  13   3.944  17.524   4.398
  140   1H5*    U  14          1H5*        U  14   5.755  24.113  -0.012
  141   2H5*    U  14          2H5*        U  14   4.068  23.803  -0.450
  142    H4*    U  14           H4*        U  14   5.301  24.213  -2.467
  143    H3*    U  14           H3*        U  14   3.766  21.965  -2.223
  144    H2*    U  14           H2*        U  14   5.537  20.546  -1.522
  145   2HO*    U  14          2HO*        U  14   5.498  20.430  -4.369
  146    H1*    U  14           H1*        U  14   7.308  21.733  -3.654
  147    H3     U  14           H3         U  14  11.108  19.742  -2.293
  148    H5     U  14           H5         U  14   8.627  19.415   1.085
  149    H6     U  14           H6         U  14   6.946  20.692  -0.104
  150   1H5*    C  15          1H5*        C  15   3.495  20.473  -5.296
  151   2H5*    C  15          2H5*        C  15   2.555  21.244  -6.586
  152    H4*    C  15           H4*        C  15   1.769  19.009  -6.206
  153    H3*    C  15           H3*        C  15   0.000  21.098  -6.356
  154    H2*    C  15           H2*        C  15   0.060  21.501  -3.965
  155   2HO*    C  15          2HO*        C  15  -2.146  19.785  -4.545
  156    H1*    C  15           H1*        C  15  -0.344  18.513  -3.622
  157   1H4     C  15          1H4         C  15   0.438  20.132   2.493
  158   2H4     C  15          2H4         C  15   1.805  21.159   2.087
  159    H5     C  15           H5         C  15   2.496  21.605  -0.199
  160    H6     C  15           H6         C  15   2.087  21.048  -2.533
  161   1H5*    G  16          1H5*        G  16  -1.169  15.293  -7.411
  162   2H5*    G  16          2H5*        G  16  -0.683  16.362  -6.086
  163    H4*    G  16           H4*        G  16   0.904  16.327  -8.669
  164    H3*    G  16           H3*        G  16   1.236  14.403  -6.337
  165    H2*    G  16           H2*        G  16   3.543  14.389  -7.055
  166   2HO*    G  16          2HO*        G  16   2.953  14.293  -9.363
  167    H1*    G  16           H1*        G  16   3.482  17.116  -7.752
  168    H8     G  16           H8         G  16   5.754  16.684  -6.594
  169    H1     G  16           H1         G  16   2.916  16.286  -0.870
  170   1H2     G  16          1H2         G  16   0.773  16.191  -1.083
  171   2H2     G  16          2H2         G  16  -0.032  16.133  -2.643
  172   1H5*    G  17          1H5*        G  17   3.820  12.757  -8.695
  173   2H5*    G  17          2H5*        G  17   3.754  10.989  -8.612
  174    H4*    G  17           H4*        G  17   5.904  11.822  -7.751
  175    H3*    G  17           H3*        G  17   4.053  10.633  -5.676
  176    H2*    G  17           H2*        G  17   5.962  10.814  -4.129
  177   2HO*    G  17          2HO*        G  17   7.949  11.603  -4.913
  178    H1*    G  17           H1*        G  17   6.383  13.419  -4.746
  179    H8     G  17           H8         G  17   2.703  13.021  -5.325
  180    H1     G  17           H1         G  17   4.221  13.238   0.897
  181   1H2     G  17          1H2         G  17   6.414  13.117   1.147
  182   2H2     G  17          2H2         G  17   7.500  12.947  -0.220
  183   1H5*    A  18          1H5*        A  18   7.729   8.835  -5.397
  184   2H5*    A  18          2H5*        A  18   7.686   7.082  -5.133
  185    H4*    A  18           H4*        A  18   8.966   8.202  -3.346
  186    H3*    A  18           H3*        A  18   6.287   7.057  -2.520
  187    H2*    A  18           H2*        A  18   7.030   7.514  -0.234
  188   2HO*    A  18          2HO*        A  18   9.284   7.034  -0.577
  189    H1*    A  18           H1*        A  18   7.732  10.058  -0.814
  190    H8     A  18           H8         A  18   4.867   9.429  -3.145
  191   1H6     A  18          1H6         A  18   1.147  10.348   1.743
  192   2H6     A  18          2H6         A  18   1.198  10.137   0.003
  193    H2     A  18           H2         A  18   5.322  10.070   3.218
  194   1H5*    G  19          1H5*        G  19   9.383   5.388  -0.117
  195   2H5*    G  19          2H5*        G  19   9.045   3.714   0.364
  196    H4*    G  19           H4*        G  19   9.402   5.231   2.310
  197    H3*    G  19           H3*        G  19   6.612   4.064   2.039
  198    H2*    G  19           H2*        G  19   6.266   4.971   4.277
  199   2HO*    G  19          2HO*        G  19   8.465   4.620   5.029
  200    H1*    G  19           H1*        G  19   7.136   7.435   3.533
  201    H8     G  19           H8         G  19   5.731   6.181   0.316
  202    H1     G  19           H1         G  19   1.179   7.445   4.646
  203   1H2     G  19          1H2         G  19   2.078   7.576   6.673
  204   2H2     G  19          2H2         G  19   3.811   7.465   6.920
  205   1H5*    G  20          1H5*        G  20   7.962   3.121   5.908
  206   2H5*    G  20          2H5*        G  20   7.661   1.404   6.248
  207    H4*    G  20           H4*        G  20   6.729   2.815   8.033
  208    H3*    G  20           H3*        G  20   4.697   1.437   6.253
  209    H2*    G  20           H2*        G  20   3.053   2.183   7.903
  210   2HO*    G  20          2HO*        G  20   4.505   1.914   9.750
  211    H1*    G  20           H1*        G  20   3.982   4.723   7.917
  212    H8     G  20           H8         G  20   4.587   3.772   4.354
  213    H1     G  20           H1         G  20  -1.641   4.506   5.751
  214   1H2     G  20          1H2         G  20  -1.918   4.601   7.940
  215   2H2     G  20          2H2         G  20  -0.565   4.511   9.048
  216   1H5*    A  21          1H5*        A  21   3.574   0.511  10.177
  217   2H5*    A  21          2H5*        A  21   3.176  -1.212  10.316
  218    H4*    A  21           H4*        A  21   1.305   0.186  11.097
  219    H3*    A  21           H3*        A  21   0.824  -1.345   8.522
  220    H2*    A  21           H2*        A  21  -1.481  -0.631   8.714
  221   2HO*    A  21          2HO*        A  21  -1.658  -0.795  11.014
  222    H1*    A  21           H1*        A  21  -0.841   1.962   9.179
  223    H8     A  21           H8         A  21   1.905   0.780   6.917
  224   1H6     A  21          1H6         A  21  -2.174   1.391   2.266
  225   2H6     A  21          2H6         A  21  -0.492   1.086   2.657
  226    H2     A  21           H2         A  21  -4.377   1.733   6.098
  227   1H5*    U  22          1H5*        U  22  -2.945  -4.552   9.190
  228   2H5*    U  22          2H5*        U  22  -2.255  -3.629   7.841
  229    H4*    U  22           H4*        U  22  -4.523  -2.634   9.631
  230    H3*    U  22           H3*        U  22  -4.438  -4.174   7.043
  231    H2*    U  22           H2*        U  22  -6.360  -2.923   6.258
  232   2HO*    U  22          2HO*        U  22  -7.345  -2.820   8.430
  233    H1*    U  22           H1*        U  22  -5.368  -0.511   6.912
  234    H3     U  22           H3         U  22  -4.765  -1.514   2.398
  235    H5     U  22           H5         U  22  -1.121  -2.278   4.354
  236    H6     U  22           H6         U  22  -2.252  -2.024   6.468
  237   1H5*    U  23          1H5*        U  23  -8.358  -3.992   7.645
  238   2H5*    U  23          2H5*        U  23  -9.103  -5.603   7.702
  239    H4*    U  23           H4*        U  23 -10.187  -4.176   5.983
  240    H3*    U  23           H3*        U  23  -8.554  -6.543   5.025
  241    H2*    U  23           H2*        U  23  -9.357  -6.064   2.819
  242   2HO*    U  23          2HO*        U  23 -11.553  -5.668   3.469
  243    H1*    U  23           H1*        U  23  -9.219  -3.280   3.110
  244    H3     U  23           H3         U  23  -6.357  -4.732  -0.189
  245    H5     U  23           H5         U  23  -4.177  -4.842   3.401
  246    H6     U  23           H6         U  23  -6.240  -4.499   4.610
  247   1H5*    U  24          1H5*        U  24 -10.550 -10.273   3.230
  248   2H5*    U  24          2H5*        U  24  -9.141  -9.206   3.105
  249    H4*    U  24           H4*        U  24 -11.523  -9.202   1.195
  250    H3*    U  24           H3*        U  24  -8.764 -10.441   1.085
  251    H2*    U  24           H2*        U  24  -8.806 -10.086  -1.319
  252   2HO*    U  24          2HO*        U  24 -11.476  -9.141  -0.887
  253    H1*    U  24           H1*        U  24  -9.480  -7.489  -1.089
  254    H3     U  24           H3         U  24  -4.939  -8.077  -1.711
  255    H5     U  24           H5         U  24  -5.522  -7.901   2.439
  256    H6     U  24           H6         U  24  -7.906  -7.987   2.053
  257   1H5*    G  25          1H5*        G  25 -10.957 -12.024  -2.107
  258   2H5*    G  25          2H5*        G  25 -10.754 -13.780  -2.264
  259    H4*    G  25           H4*        G  25 -10.280 -12.648  -4.393
  260    H3*    G  25           H3*        G  25  -7.847 -13.848  -3.030
  261    H2*    G  25           H2*        G  25  -6.711 -13.379  -5.138
  262   2HO*    G  25          2HO*        G  25  -8.542 -13.839  -6.519
  263    H1*    G  25           H1*        G  25  -7.600 -10.830  -5.235
  264    H8     G  25           H8         G  25  -7.318 -11.443  -1.552
  265    H1     G  25           H1         G  25  -1.629 -10.704  -4.429
  266   1H2     G  25          1H2         G  25  -1.874 -10.834  -6.629
  267   2H2     G  25          2H2         G  25  -3.443 -11.080  -7.371
  268   1H5*    G  26          1H5*        G  26  -8.198 -15.465  -6.944
  269   2H5*    G  26          2H5*        G  26  -7.772 -17.186  -7.001
  270    H4*    G  26           H4*        G  26  -6.433 -15.858  -8.607
  271    H3*    G  26           H3*        G  26  -4.924 -17.090  -6.298
  272    H2*    G  26           H2*        G  26  -2.907 -16.361  -7.534
  273   2HO*    G  26          2HO*        G  26  -3.784 -16.771  -9.658
  274    H1*    G  26           H1*        G  26  -3.822 -13.865  -7.897
  275    H8     G  26           H8         G  26  -5.394 -14.753  -4.615
  276    H1     G  26           H1         G  26   0.848 -13.331  -4.184
  277   1H2     G  26          1H2         G  26   1.771 -13.358  -6.201
  278   2H2     G  26          2H2         G  26   0.831 -13.693  -7.642
  279   1H5*    C  27          1H5*        C  27  -3.155 -18.509  -9.833
  280   2H5*    C  27          2H5*        C  27  -2.707 -20.225  -9.729
  281    H4*    C  27           H4*        C  27  -0.721 -18.840 -10.192
  282    H3*    C  27           H3*        C  27  -0.823 -20.034  -7.404
  283    H2*    C  27           H2*        C  27   1.457 -19.222  -7.178
  284   2HO*    C  27          2HO*        C  27   2.496 -18.248  -8.950
  285    H1*    C  27           H1*        C  27   0.846 -16.744  -8.138
  286   1H4     C  27          1H4         C  27  -0.092 -16.397  -1.872
  287   2H4     C  27          2H4         C  27  -1.794 -16.747  -2.106
  288    H5     C  27           H5         C  27  -2.732 -17.356  -4.295
  289    H6     C  27           H6         C  27  -2.192 -17.807  -6.591
  290   1H5*    C  28          1H5*        C  28   2.814 -21.087  -9.034
  291   2H5*    C  28          2H5*        C  28   3.302 -22.760  -8.692
  292    H4*    C  28           H4*        C  28   5.017 -21.200  -7.894
  293    H3*    C  28           H3*        C  28   3.418 -22.534  -5.682
  294    H2*    C  28           H2*        C  28   5.042 -21.580  -4.173
  295   2HO*    C  28          2HO*        C  28   6.884 -21.905  -5.587
  296    H1*    C  28           H1*        C  28   4.969 -19.108  -5.342
  297   1H4     C  28          1H4         C  28   0.699 -19.191  -0.634
  298   2H4     C  28          2H4         C  28  -0.545 -19.770  -1.729
  299    H5     C  28           H5         C  28  -0.072 -20.365  -4.063
  300    H6     C  28           H6         C  28   1.668 -20.528  -5.736
  301    H3T    C  28           H3T        C  28   4.645 -23.934  -7.026
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   6.257 -14.962   8.415
    2   2H5*    G   1          2H5*        G   1   6.333 -13.253   7.941
    3    H4*    G   1           H4*        G   1   8.098 -14.458   6.798
    4    H3*    G   1           H3*        G   1   5.802 -13.701   4.965
    5    H2*    G   1           H2*        G   1   7.249 -14.439   3.160
    6   2HO*    G   1          2HO*        G   1   9.377 -15.138   3.632
    7    H1*    G   1           H1*        G   1   7.846 -16.788   4.363
    8    H8     G   1           H8         G   1   4.394 -16.173   5.622
    9    H1     G   1           H1         G   1   4.513 -17.802  -0.583
   10   1H2     G   1          1H2         G   1   6.588 -17.666  -1.358
   11   2H2     G   1          2H2         G   1   7.930 -17.215  -0.325
   12    H5T    G   1           H5T        G   1   4.192 -14.084   7.889
   13   1H5*    G   2          1H5*        G   2   9.306 -12.414   3.190
   14   2H5*    G   2          2H5*        G   2   9.192 -10.743   2.603
   15    H4*    G   2           H4*        G   2   9.954 -12.223   0.802
   16    H3*    G   2           H3*        G   2   7.148 -11.130   0.506
   17    H2*    G   2           H2*        G   2   7.225 -12.050  -1.768
   18   2HO*    G   2          2HO*        G   2   9.151 -12.993  -2.521
   19    H1*    G   2           H1*        G   2   8.166 -14.452  -0.944
   20    H8     G   2           H8         G   2   5.991 -13.430   1.928
   21    H1     G   2           H1         G   2   2.674 -15.370  -3.216
   22   1H2     G   2          1H2         G   2   4.017 -15.476  -4.983
   23   2H2     G   2          2H2         G   2   5.720 -15.076  -4.868
   24   1H5*    C   3          1H5*        C   3   9.178 -10.189  -2.900
   25   2H5*    C   3          2H5*        C   3   8.869  -8.553  -3.519
   26    H4*    C   3           H4*        C   3   8.303 -10.250  -5.213
   27    H3*    C   3           H3*        C   3   5.915  -8.811  -4.007
   28    H2*    C   3           H2*        C   3   4.633  -9.895  -5.785
   29   2HO*    C   3          2HO*        C   3   5.716 -11.128  -7.354
   30    H1*    C   3           H1*        C   3   5.765 -12.344  -5.291
   31   1H4     C   3          1H4         C   3   0.616 -12.054  -1.601
   32   2H4     C   3          2H4         C   3   1.587 -11.445  -0.273
   33    H5     C   3           H5         C   3   3.944 -10.829  -0.538
   34    H6     C   3           H6         C   3   5.786 -10.731  -2.101
   35   1H5*    C   4          1H5*        C   4   5.722  -8.296  -8.047
   36   2H5*    C   4          2H5*        C   4   5.210  -6.669  -8.545
   37    H4*    C   4           H4*        C   4   3.666  -8.371  -9.435
   38    H3*    C   4           H3*        C   4   2.495  -6.703  -7.183
   39    H2*    C   4           H2*        C   4   0.382  -7.733  -7.856
   40   2HO*    C   4          2HO*        C   4   0.822  -7.781 -10.143
   41    H1*    C   4           H1*        C   4   1.464 -10.230  -7.904
   42   1H4     C   4          1H4         C   4  -0.834  -9.420  -2.068
   43   2H4     C   4          2H4         C   4   0.653  -8.653  -1.541
   44    H5     C   4           H5         C   4   2.503  -8.165  -3.081
   45    H6     C   4           H6         C   4   3.235  -8.303  -5.383
   46   1H5*    A   5          1H5*        A   5   0.026  -6.316 -10.667
   47   2H5*    A   5          2H5*        A   5  -0.766  -4.727 -10.727
   48    H4*    A   5           H4*        A   5  -2.389  -6.628 -10.723
   49    H3*    A   5           H3*        A   5  -2.417  -4.796  -8.309
   50    H2*    A   5           H2*        A   5  -4.421  -6.004  -7.639
   51   2HO*    A   5          2HO*        A   5  -4.178  -7.317 -10.176
   52    H1*    A   5           H1*        A   5  -3.289  -8.451  -8.065
   53    H8     A   5           H8         A   5  -0.472  -6.305  -6.796
   54   1H6     A   5          1H6         A   5  -2.999  -7.139  -1.166
   55   2H6     A   5          2H6         A   5  -1.575  -6.558  -2.012
   56    H2     A   5           H2         A   5  -5.910  -8.493  -4.207
   57   1H5*    U   6          1H5*        U   6  -6.302  -5.146  -8.970
   58   2H5*    U   6          2H5*        U   6  -7.078  -3.556  -9.102
   59    H4*    U   6           H4*        U   6  -8.176  -4.856  -7.348
   60    H3*    U   6           H3*        U   6  -6.442  -2.598  -6.303
   61    H2*    U   6           H2*        U   6  -7.531  -3.045  -4.165
   62   2HO*    U   6          2HO*        U   6  -9.630  -3.542  -5.071
   63    H1*    U   6           H1*        U   6  -7.168  -5.747  -4.371
   64    H3     U   6           H3         U   6  -4.120  -4.294  -1.312
   65    H5     U   6           H5         U   6  -2.421  -3.325  -5.030
   66    H6     U   6           H6         U   6  -4.492  -3.985  -6.084
   67   1H5*    C   7          1H5*        C   7 -10.526  -2.197  -4.852
   68   2H5*    C   7          2H5*        C   7 -10.981  -0.484  -4.880
   69    H4*    C   7           H4*        C   7 -11.419  -1.458  -2.666
   70    H3*    C   7           H3*        C   7  -9.108   0.507  -2.752
   71    H2*    C   7           H2*        C   7  -9.232   0.415  -0.326
   72   2HO*    C   7          2HO*        C   7 -10.920  -0.697   0.689
   73    H1*    C   7           H1*        C   7  -9.491  -2.330  -0.283
   74   1H4     C   7          1H4         C   7  -3.283  -1.352   0.452
   75   2H4     C   7          2H4         C   7  -3.076  -1.067  -1.265
   76    H5     C   7           H5         C   7  -4.956  -0.979  -2.825
   77    H6     C   7           H6         C   7  -7.359  -1.169  -3.030
   78   1H5*    U   8          1H5*        U   8 -12.257   1.640   0.029
   79   2H5*    U   8          2H5*        U   8 -12.440   3.401   0.139
   80    H4*    U   8           H4*        U   8 -12.112   2.374   2.372
   81    H3*    U   8           H3*        U   8  -9.848   4.130   1.372
   82    H2*    U   8           H2*        U   8  -8.929   3.881   3.615
   83   2HO*    U   8          2HO*        U   8 -11.059   3.940   4.662
   84    H1*    U   8           H1*        U   8  -9.379   1.201   3.734
   85    H3     U   8           H3         U   8  -4.929   1.329   3.204
   86    H5     U   8           H5         U   8  -6.377   2.498  -0.560
   87    H6     U   8           H6         U   8  -8.609   2.506   0.367
   88   1H5*    U   9          1H5*        U   9 -10.876   5.338   5.315
   89   2H5*    U   9          2H5*        U   9 -10.680   7.084   5.538
   90    H4*    U   9           H4*        U   9  -9.272   5.707   7.096
   91    H3*    U   9           H3*        U   9  -7.810   7.472   5.117
   92    H2*    U   9           H2*        U   9  -5.828   6.910   6.431
   93   2HO*    U   9          2HO*        U   9  -6.033   5.676   8.320
   94    H1*    U   9           H1*        U   9  -6.402   4.243   6.467
   95    H3     U   9           H3         U   9  -2.990   4.688   3.498
   96    H5     U   9           H5         U   9  -6.394   5.908   1.361
   97    H6     U   9           H6         U   9  -7.664   5.778   3.410
   98   1H5*    C  10          1H5*        C  10  -6.662   8.133   9.255
   99   2H5*    C  10          2H5*        C  10  -6.350   9.849   9.572
  100    H4*    C  10           H4*        C  10  -4.467   8.453  10.325
  101    H3*    C  10           H3*        C  10  -3.878  10.217   7.929
  102    H2*    C  10           H2*        C  10  -1.550   9.572   8.313
  103   2HO*    C  10          2HO*        C  10  -1.717   9.534  10.655
  104    H1*    C  10           H1*        C  10  -2.130   6.940   8.551
  105   1H4     C  10          1H4         C  10  -1.037   7.758   2.369
  106   2H4     C  10          2H4         C  10  -2.707   8.215   2.093
  107    H5     C  10           H5         C  10  -4.306   8.529   3.927
  108    H6     C  10           H6         C  10  -4.587   8.422   6.328
  109   1H5*    U  11          1H5*        U  11  -1.053  10.921  11.103
  110   2H5*    U  11          2H5*        U  11  -0.577  12.624  11.202
  111    H4*    U  11           H4*        U  11   1.382  11.123  11.001
  112    H3*    U  11           H3*        U  11   0.872  12.947   8.629
  113    H2*    U  11           H2*        U  11   3.083  12.233   7.893
  114   2HO*    U  11          2HO*        U  11   3.979  12.143  10.081
  115    H1*    U  11           H1*        U  11   2.584   9.603   8.343
  116    H3     U  11           H3         U  11   2.353  10.239   3.830
  117    H5     U  11           H5         U  11  -1.474  11.205   5.272
  118    H6     U  11           H6         U  11  -0.593  11.096   7.517
  119   1H5*    C  12          1H5*        C  12   4.839  13.591   9.810
  120   2H5*    C  12          2H5*        C  12   5.215  15.327   9.795
  121    H4*    C  12           H4*        C  12   6.774  14.091   8.326
  122    H3*    C  12           H3*        C  12   4.760  15.895   6.952
  123    H2*    C  12           H2*        C  12   5.946  15.440   4.912
  124   2HO*    C  12          2HO*        C  12   8.074  15.546   5.962
  125    H1*    C  12           H1*        C  12   6.308  12.749   5.438
  126   1H4     C  12          1H4         C  12   1.384  13.413   1.503
  127   2H4     C  12          2H4         C  12   0.282  13.658   2.846
  128    H5     C  12           H5         C  12   1.063  13.816   5.174
  129    H6     C  12           H6         C  12   3.020  13.774   6.599
  130   1H5*    U  13          1H5*        U  13   7.660  17.093   4.808
  131   2H5*    U  13          2H5*        U  13   7.750  18.865   4.774
  132    H4*    U  13           H4*        U  13   7.275  18.022   2.524
  133    H3*    U  13           H3*        U  13   4.920  19.365   3.882
  134    H2*    U  13           H2*        U  13   3.857  19.261   1.702
  135   2HO*    U  13          2HO*        U  13   5.080  18.395  -0.076
  136    H1*    U  13           H1*        U  13   4.613  16.655   1.263
  137    H3     U  13           H3         U  13   0.128  16.652   2.134
  138    H5     U  13           H5         U  13   1.943  16.960   5.911
  139    H6     U  13           H6         U  13   4.082  17.194   4.801
  140   1H5*    U  14          1H5*        U  14   4.620  22.423   0.153
  141   2H5*    U  14          2H5*        U  14   5.669  20.997   0.183
  142    H4*    U  14           H4*        U  14   6.184  23.675  -1.152
  143    H3*    U  14           H3*        U  14   4.845  21.484  -2.039
  144    H2*    U  14           H2*        U  14   6.485  19.895  -1.381
  145   2HO*    U  14          2HO*        U  14   7.059  20.594  -4.089
  146    H1*    U  14           H1*        U  14   8.575  21.627  -2.668
  147    H3     U  14           H3         U  14  11.991  18.983  -1.404
  148    H5     U  14           H5         U  14   9.201  18.423   1.687
  149    H6     U  14           H6         U  14   7.716  19.965   0.548
  150   1H5*    C  15          1H5*        C  15   4.847  20.663  -4.883
  151   2H5*    C  15          2H5*        C  15   4.195  21.650  -6.201
  152    H4*    C  15           H4*        C  15   3.157  19.491  -6.190
  153    H3*    C  15           H3*        C  15   1.620  21.748  -6.386
  154    H2*    C  15           H2*        C  15   1.393  21.912  -3.953
  155   2HO*    C  15          2HO*        C  15  -0.827  21.440  -3.592
  156    H1*    C  15           H1*        C  15   0.603  18.980  -4.082
  157   1H4     C  15          1H4         C  15   0.494  19.754   2.253
  158   2H4     C  15          2H4         C  15   2.004  20.645   2.213
  159    H5     C  15           H5         C  15   3.170  21.176   0.136
  160    H6     C  15           H6         C  15   3.071  20.990  -2.292
  161   1H5*    G  16          1H5*        G  16   0.090  16.097  -7.840
  162   2H5*    G  16          2H5*        G  16   0.407  17.120  -6.427
  163    H4*    G  16           H4*        G  16   2.485  16.952  -8.606
  164    H3*    G  16           H3*        G  16   2.119  14.899  -6.398
  165    H2*    G  16           H2*        G  16   4.496  14.653  -6.645
  166   2HO*    G  16          2HO*        G  16   4.361  14.695  -9.035
  167    H1*    G  16           H1*        G  16   4.822  17.409  -7.263
  168    H8     G  16           H8         G  16   6.875  16.773  -5.868
  169    H1     G  16           H1         G  16   3.360  16.285  -0.540
  170   1H2     G  16          1H2         G  16   1.259  16.399  -0.995
  171   2H2     G  16          2H2         G  16   0.641  16.515  -2.636
  172   1H5*    G  17          1H5*        G  17   4.918  13.059  -8.557
  173   2H5*    G  17          2H5*        G  17   4.652  11.308  -8.560
  174    H4*    G  17           H4*        G  17   6.768  11.881  -7.438
  175    H3*    G  17           H3*        G  17   4.594  10.816  -5.623
  176    H2*    G  17           H2*        G  17   6.348  10.733  -3.892
  177   2HO*    G  17          2HO*        G  17   8.469  11.355  -4.444
  178    H1*    G  17           H1*        G  17   7.072  13.306  -4.327
  179    H8     G  17           H8         G  17   3.443  13.289  -5.280
  180    H1     G  17           H1         G  17   4.358  13.059   1.060
  181   1H2     G  17          1H2         G  17   6.499  12.738   1.505
  182   2H2     G  17          2H2         G  17   7.694  12.541   0.236
  183   1H5*    A  18          1H5*        A  18   8.055   8.660  -5.087
  184   2H5*    A  18          2H5*        A  18   7.821   6.911  -4.884
  185    H4*    A  18           H4*        A  18   9.056   7.884  -2.973
  186    H3*    A  18           H3*        A  18   6.246   6.916  -2.384
  187    H2*    A  18           H2*        A  18   6.855   7.255  -0.034
  188   2HO*    A  18          2HO*        A  18   9.093   6.633  -0.232
  189    H1*    A  18           H1*        A  18   7.758   9.757  -0.474
  190    H8     A  18           H8         A  18   5.053   9.434  -3.039
  191   1H6     A  18          1H6         A  18   1.021  10.334   1.596
  192   2H6     A  18          2H6         A  18   1.197  10.217  -0.144
  193    H2     A  18           H2         A  18   5.036   9.697   3.368
  194   1H5*    G  19          1H5*        G  19   9.059   5.034   0.187
  195   2H5*    G  19          2H5*        G  19   8.608   3.371   0.610
  196    H4*    G  19           H4*        G  19   8.939   4.835   2.604
  197    H3*    G  19           H3*        G  19   6.122   3.789   2.167
  198    H2*    G  19           H2*        G  19   5.697   4.659   4.397
  199   2HO*    G  19          2HO*        G  19   7.395   5.655   5.559
  200    H1*    G  19           H1*        G  19   6.692   7.105   3.759
  201    H8     G  19           H8         G  19   5.447   5.990   0.436
  202    H1     G  19           H1         G  19   0.662   7.247   4.510
  203   1H2     G  19          1H2         G  19   1.436   7.313   6.590
  204   2H2     G  19          2H2         G  19   3.147   7.154   6.943
  205   1H5*    G  20          1H5*        G  20   7.306   2.841   6.044
  206   2H5*    G  20          2H5*        G  20   7.005   1.125   6.390
  207    H4*    G  20           H4*        G  20   6.041   2.524   8.164
  208    H3*    G  20           H3*        G  20   4.038   1.176   6.328
  209    H2*    G  20           H2*        G  20   2.352   1.930   7.924
  210   2HO*    G  20          2HO*        G  20   3.716   1.627   9.822
  211    H1*    G  20           H1*        G  20   3.310   4.463   7.991
  212    H8     G  20           H8         G  20   4.014   3.516   4.439
  213    H1     G  20           H1         G  20  -2.242   4.380   5.641
  214   1H2     G  20          1H2         G  20  -2.588   4.458   7.823
  215   2H2     G  20          2H2         G  20  -1.270   4.333   8.970
  216   1H5*    A  21          1H5*        A  21   2.784   0.128  10.207
  217   2H5*    A  21          2H5*        A  21   2.360  -1.595  10.249
  218    H4*    A  21           H4*        A  21   0.460  -0.220  11.003
  219    H3*    A  21           H3*        A  21   0.092  -1.547   8.302
  220    H2*    A  21           H2*        A  21  -2.238  -0.835   8.502
  221   2HO*    A  21          2HO*        A  21  -2.902   0.283  10.389
  222    H1*    A  21           H1*        A  21  -1.544   1.715   9.084
  223    H8     A  21           H8         A  21   1.253   0.563   6.868
  224   1H6     A  21          1H6         A  21  -2.720   1.305   2.133
  225   2H6     A  21          2H6         A  21  -1.043   1.003   2.545
  226    H2     A  21           H2         A  21  -4.994   1.609   5.917
  227   1H5*    U  22          1H5*        U  22  -3.324  -2.300  10.267
  228   2H5*    U  22          2H5*        U  22  -3.709  -4.029  10.270
  229    H4*    U  22           H4*        U  22  -5.628  -2.717   9.475
  230    H3*    U  22           H3*        U  22  -4.263  -4.359   7.320
  231    H2*    U  22           H2*        U  22  -6.287  -3.882   6.041
  232   2HO*    U  22          2HO*        U  22  -7.997  -2.744   7.027
  233    H1*    U  22           H1*        U  22  -6.226  -1.219   6.715
  234    H3     U  22           H3         U  22  -5.054  -1.689   2.321
  235    H5     U  22           H5         U  22  -1.511  -2.380   4.477
  236    H6     U  22           H6         U  22  -2.811  -2.374   6.517
  237   1H5*    U  23          1H5*        U  23  -8.397  -5.352   7.566
  238   2H5*    U  23          2H5*        U  23  -8.579  -7.118   7.535
  239    H4*    U  23           H4*        U  23 -10.079  -6.118   5.880
  240    H3*    U  23           H3*        U  23  -7.642  -7.379   4.608
  241    H2*    U  23           H2*        U  23  -8.908  -7.290   2.561
  242   2HO*    U  23          2HO*        U  23 -11.044  -7.654   3.411
  243    H1*    U  23           H1*        U  23  -9.574  -4.672   3.080
  244    H3     U  23           H3         U  23  -6.531  -4.772  -0.308
  245    H5     U  23           H5         U  23  -4.239  -5.116   3.198
  246    H6     U  23           H6         U  23  -6.288  -5.357   4.456
  247   1H5*    U  24          1H5*        U  24 -10.825 -11.356   3.452
  248   2H5*    U  24          2H5*        U  24  -9.375 -10.348   3.302
  249    H4*    U  24           H4*        U  24 -11.738 -10.381   1.370
  250    H3*    U  24           H3*        U  24  -8.873 -11.369   1.297
  251    H2*    U  24           H2*        U  24  -8.957 -11.048  -1.110
  252   2HO*    U  24          2HO*        U  24 -10.905 -10.371  -2.088
  253    H1*    U  24           H1*        U  24  -9.989  -8.541  -0.889
  254    H3     U  24           H3         U  24  -5.592  -7.876  -1.786
  255    H5     U  24           H5         U  24  -5.671  -8.819   2.304
  256    H6     U  24           H6         U  24  -8.018  -9.337   2.086
  257   1H5*    G  25          1H5*        G  25 -10.928 -13.217  -1.875
  258   2H5*    G  25          2H5*        G  25 -10.510 -14.937  -2.014
  259    H4*    G  25           H4*        G  25 -10.198 -13.812  -4.164
  260    H3*    G  25           H3*        G  25  -7.595 -14.584  -2.802
  261    H2*    G  25           H2*        G  25  -6.587 -14.046  -4.957
  262   2HO*    G  25          2HO*        G  25  -7.912 -13.441  -6.704
  263    H1*    G  25           H1*        G  25  -7.861 -11.657  -5.116
  264    H8     G  25           H8         G  25  -7.354 -12.186  -1.433
  265    H1     G  25           H1         G  25  -1.986 -10.486  -4.513
  266   1H2     G  25          1H2         G  25  -2.282 -10.693  -6.704
  267   2H2     G  25          2H2         G  25  -3.816 -11.201  -7.386
  268   1H5*    G  26          1H5*        G  26  -7.791 -16.281  -6.626
  269   2H5*    G  26          2H5*        G  26  -7.135 -17.926  -6.706
  270    H4*    G  26           H4*        G  26  -6.045 -16.447  -8.358
  271    H3*    G  26           H3*        G  26  -4.294 -17.387  -6.083
  272    H2*    G  26           H2*        G  26  -2.450 -16.385  -7.402
  273   2HO*    G  26          2HO*        G  26  -3.334 -16.969  -9.487
  274    H1*    G  26           H1*        G  26  -3.751 -14.067  -7.763
  275    H8     G  26           H8         G  26  -5.050 -15.138  -4.414
  276    H1     G  26           H1         G  26   0.908 -12.766  -4.233
  277   1H2     G  26          1H2         G  26   1.761 -12.708  -6.281
  278   2H2     G  26          2H2         G  26   0.827 -13.192  -7.684
  279   1H5*    C  27          1H5*        C  27  -2.420 -18.586  -9.640
  280   2H5*    C  27          2H5*        C  27  -1.702 -20.210  -9.517
  281    H4*    C  27           H4*        C  27   0.022 -18.539 -10.071
  282    H3*    C  27           H3*        C  27   0.198 -19.681  -7.265
  283    H2*    C  27           H2*        C  27   2.334 -18.513  -7.135
  284   2HO*    C  27          2HO*        C  27   2.923 -18.873  -9.377
  285    H1*    C  27           H1*        C  27   1.304 -16.182  -8.081
  286   1H4     C  27          1H4         C  27   0.492 -15.915  -1.796
  287   2H4     C  27          2H4         C  27  -1.148 -16.504  -1.985
  288    H5     C  27           H5         C  27  -2.040 -17.277  -4.143
  289    H6     C  27           H6         C  27  -1.495 -17.670  -6.450
  290   1H5*    C  28          1H5*        C  28   3.949 -20.303  -8.990
  291   2H5*    C  28          2H5*        C  28   4.634 -21.891  -8.588
  292    H4*    C  28           H4*        C  28   6.156 -20.089  -7.886
  293    H3*    C  28           H3*        C  28   4.792 -21.559  -5.604
  294    H2*    C  28           H2*        C  28   6.322 -20.364  -4.163
  295   2HO*    C  28          2HO*        C  28   8.152 -20.480  -5.622
  296    H1*    C  28           H1*        C  28   5.890 -17.956  -5.385
  297   1H4     C  28          1H4         C  28   1.807 -18.509  -0.543
  298   2H4     C  28          2H4         C  28   0.606 -19.226  -1.604
  299    H5     C  28           H5         C  28   1.079 -19.776  -3.948
  300    H6     C  28           H6         C  28   2.778 -19.752  -5.669
  301    H3T    C  28           H3T        C  28   6.154 -22.830  -6.942
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   7.830 -14.016   7.743
    2   2H5*    G   1          2H5*        G   1   7.730 -12.315   7.240
    3    H4*    G   1           H4*        G   1   9.457 -13.409   5.945
    4    H3*    G   1           H3*        G   1   6.942 -12.867   4.337
    5    H2*    G   1           H2*        G   1   8.264 -13.524   2.409
    6   2HO*    G   1          2HO*        G   1  10.476 -14.052   2.683
    7    H1*    G   1           H1*        G   1   9.151 -15.797   3.575
    8    H8     G   1           H8         G   1   5.800 -15.392   5.151
    9    H1     G   1           H1         G   1   5.455 -17.193  -0.998
   10   1H2     G   1          1H2         G   1   7.437 -16.945  -1.966
   11   2H2     G   1          2H2         G   1   8.834 -16.371  -1.075
   12    H5T    G   1           H5T        G   1   5.662 -13.294   7.414
   13   1H5*    G   2          1H5*        G   2  10.151 -11.352   2.239
   14   2H5*    G   2          2H5*        G   2   9.858  -9.716   1.619
   15    H4*    G   2           H4*        G   2  10.575 -11.211  -0.196
   16    H3*    G   2           H3*        G   2   7.685 -10.310  -0.288
   17    H2*    G   2           H2*        G   2   7.650 -11.306  -2.539
   18   2HO*    G   2          2HO*        G   2   9.848 -10.678  -3.074
   19    H1*    G   2           H1*        G   2   8.809 -13.605  -1.723
   20    H8     G   2           H8         G   2   6.809 -12.638   1.295
   21    H1     G   2           H1         G   2   3.231 -15.014  -3.479
   22   1H2     G   2          1H2         G   2   4.425 -15.091  -5.353
   23   2H2     G   2          2H2         G   2   6.096 -14.563  -5.400
   24   1H5*    C   3          1H5*        C   3   9.389  -9.240  -3.899
   25   2H5*    C   3          2H5*        C   3   8.859  -7.649  -4.482
   26    H4*    C   3           H4*        C   3   8.315  -9.426  -6.111
   27    H3*    C   3           H3*        C   3   5.923  -8.182  -4.714
   28    H2*    C   3           H2*        C   3   4.601  -9.394  -6.374
   29   2HO*    C   3          2HO*        C   3   5.656 -10.558  -8.015
   30    H1*    C   3           H1*        C   3   5.981 -11.732  -5.956
   31   1H4     C   3          1H4         C   3   1.129 -11.826  -1.868
   32   2H4     C   3          2H4         C   3   2.144 -11.110  -0.630
   33    H5     C   3           H5         C   3   4.412 -10.306  -1.086
   34    H6     C   3           H6         C   3   6.108 -10.076  -2.793
   35   1H5*    C   4          1H5*        C   4   5.391  -7.727  -8.738
   36   2H5*    C   4          2H5*        C   4   4.695  -6.157  -9.204
   37    H4*    C   4           H4*        C   4   3.248  -7.997  -9.967
   38    H3*    C   4           H3*        C   4   2.115  -6.411  -7.637
   39    H2*    C   4           H2*        C   4   0.054  -7.625  -8.138
   40   2HO*    C   4          2HO*        C   4   0.311  -7.659 -10.450
   41    H1*    C   4           H1*        C   4   1.339 -10.023  -8.262
   42   1H4     C   4          1H4         C   4  -0.560  -9.339  -2.267
   43   2H4     C   4          2H4         C   4   0.876  -8.416  -1.866
   44    H5     C   4           H5         C   4   2.549  -7.781  -3.549
   45    H6     C   4           H6         C   4   3.115  -7.894  -5.897
   46   1H5*    A   5          1H5*        A   5  -0.632  -6.269 -10.917
   47   2H5*    A   5          2H5*        A   5  -1.565  -4.758 -10.927
   48    H4*    A   5           H4*        A   5  -3.013  -6.795 -10.767
   49    H3*    A   5           H3*        A   5  -2.998  -4.955  -8.357
   50    H2*    A   5           H2*        A   5  -4.870  -6.317  -7.580
   51   2HO*    A   5          2HO*        A   5  -5.655  -8.006  -8.922
   52    H1*    A   5           H1*        A   5  -3.544  -8.653  -8.065
   53    H8     A   5           H8         A   5  -0.836  -6.285  -6.975
   54   1H6     A   5          1H6         A   5  -3.001  -7.256  -1.202
   55   2H6     A   5          2H6         A   5  -1.665  -6.582  -2.117
   56    H2     A   5           H2         A   5  -5.951  -8.839  -4.084
   57   1H5*    U   6          1H5*        U   6  -6.888  -5.632  -8.841
   58   2H5*    U   6          2H5*        U   6  -7.798  -4.110  -8.923
   59    H4*    U   6           H4*        U   6  -8.736  -5.525  -7.166
   60    H3*    U   6           H3*        U   6  -7.164  -3.154  -6.113
   61    H2*    U   6           H2*        U   6  -8.194  -3.713  -3.975
   62   2HO*    U   6          2HO*        U   6  -9.723  -5.405  -3.875
   63    H1*    U   6           H1*        U   6  -7.594  -6.374  -4.236
   64    H3     U   6           H3         U   6  -4.692  -4.648  -1.176
   65    H5     U   6           H5         U   6  -3.080  -3.551  -4.898
   66    H6     U   6           H6         U   6  -5.088  -4.383  -5.952
   67   1H5*    C   7          1H5*        C   7 -11.088  -3.120  -4.490
   68   2H5*    C   7          2H5*        C   7 -11.753  -1.476  -4.582
   69    H4*    C   7           H4*        C   7 -12.031  -2.336  -2.316
   70    H3*    C   7           H3*        C   7  -9.863  -0.222  -2.543
   71    H2*    C   7           H2*        C   7  -9.970  -0.189  -0.118
   72   2HO*    C   7          2HO*        C   7 -11.566  -1.381   0.967
   73    H1*    C   7           H1*        C   7 -10.038  -2.943   0.056
   74   1H4     C   7          1H4         C   7  -3.924  -1.504   0.750
   75   2H4     C   7          2H4         C   7  -3.717  -1.350  -0.985
   76    H5     C   7           H5         C   7  -5.592  -1.471  -2.553
   77    H6     C   7           H6         C   7  -7.982  -1.818  -2.746
   78   1H5*    U   8          1H5*        U   8 -13.039   0.783   0.231
   79   2H5*    U   8          2H5*        U   8 -13.386   2.523   0.214
   80    H4*    U   8           H4*        U   8 -12.991   1.721   2.519
   81    H3*    U   8           H3*        U   8 -10.855   3.544   1.371
   82    H2*    U   8           H2*        U   8  -9.934   3.585   3.599
   83   2HO*    U   8          2HO*        U   8 -11.939   3.719   4.736
   84    H1*    U   8           H1*        U   8 -10.285   0.894   4.035
   85    H3     U   8           H3         U   8  -5.819   1.122   3.690
   86    H5     U   8           H5         U   8  -7.120   2.020  -0.201
   87    H6     U   8           H6         U   8  -9.397   2.001   0.617
   88   1H5*    U   9          1H5*        U   9 -10.555   7.583   4.431
   89   2H5*    U   9          2H5*        U   9  -9.525   6.661   3.319
   90    H4*    U   9           H4*        U   9  -9.927   5.990   6.271
   91    H3*    U   9           H3*        U   9  -7.801   7.515   4.755
   92    H2*    U   9           H2*        U   9  -6.181   6.652   6.361
   93   2HO*    U   9          2HO*        U   9  -7.644   6.728   8.201
   94    H1*    U   9           H1*        U   9  -7.032   4.096   6.137
   95    H3     U   9           H3         U   9  -3.235   4.587   3.564
   96    H5     U   9           H5         U   9  -6.471   5.451   1.034
   97    H6     U   9           H6         U   9  -7.914   5.461   2.967
   98   1H5*    C  10          1H5*        C  10  -7.056   8.180   8.888
   99   2H5*    C  10          2H5*        C  10  -6.769   9.908   9.177
  100    H4*    C  10           H4*        C  10  -4.916   8.572  10.078
  101    H3*    C  10           H3*        C  10  -4.233  10.196   7.607
  102    H2*    C  10           H2*        C  10  -1.929   9.600   8.116
  103   2HO*    C  10          2HO*        C  10  -1.449   8.431  10.001
  104    H1*    C  10           H1*        C  10  -2.513   6.974   8.483
  105   1H4     C  10          1H4         C  10  -1.083   7.620   2.345
  106   2H4     C  10          2H4         C  10  -2.770   7.897   1.947
  107    H5     C  10           H5         C  10  -4.504   8.128   3.670
  108    H6     C  10           H6         C  10  -4.920   8.117   6.050
  109   1H5*    U  11          1H5*        U  11  -1.603  11.025  10.852
  110   2H5*    U  11          2H5*        U  11  -1.202  12.747  10.989
  111    H4*    U  11           H4*        U  11   0.836  11.379  10.966
  112    H3*    U  11           H3*        U  11   0.407  13.062   8.473
  113    H2*    U  11           H2*        U  11   2.694  12.446   7.928
  114   2HO*    U  11          2HO*        U  11   3.448  12.500  10.168
  115    H1*    U  11           H1*        U  11   2.310   9.813   8.467
  116    H3     U  11           H3         U  11   2.342  10.251   3.923
  117    H5     U  11           H5         U  11  -1.623  11.033   5.080
  118    H6     U  11           H6         U  11  -0.885  11.070   7.375
  119   1H5*    C  12          1H5*        C  12   4.208  14.029   9.901
  120   2H5*    C  12          2H5*        C  12   4.472  15.783   9.819
  121    H4*    C  12           H4*        C  12   6.211  14.593   8.534
  122    H3*    C  12           H3*        C  12   4.179  16.132   6.888
  123    H2*    C  12           H2*        C  12   5.608  15.673   5.000
  124   2HO*    C  12          2HO*        C  12   7.605  16.003   6.248
  125    H1*    C  12           H1*        C  12   6.095  13.054   5.734
  126   1H4     C  12          1H4         C  12   1.545  13.183   1.318
  127   2H4     C  12          2H4         C  12   0.302  13.427   2.535
  128    H5     C  12           H5         C  12   0.840  13.748   4.914
  129    H6     C  12           H6         C  12   2.644  13.905   6.520
  130   1H5*    U  13          1H5*        U  13   7.200  17.424   4.985
  131   2H5*    U  13          2H5*        U  13   7.204  19.196   4.869
  132    H4*    U  13           H4*        U  13   7.091  18.239   2.626
  133    H3*    U  13           H3*        U  13   4.505  19.501   3.579
  134    H2*    U  13           H2*        U  13   3.719  19.219   1.323
  135   2HO*    U  13          2HO*        U  13   5.677  19.800   0.269
  136    H1*    U  13           H1*        U  13   4.710  16.668   1.067
  137    H3     U  13           H3         U  13   0.147  16.388   1.397
  138    H5     U  13           H5         U  13   1.467  16.945   5.347
  139    H6     U  13           H6         U  13   3.703  17.287   4.493
  140   1H5*    U  14          1H5*        U  14   6.744  23.753   0.471
  141   2H5*    U  14          2H5*        U  14   5.217  23.546  -0.402
  142    H4*    U  14           H4*        U  14   6.977  23.836  -2.005
  143    H3*    U  14           H3*        U  14   5.280  21.689  -2.182
  144    H2*    U  14           H2*        U  14   6.748  20.168  -1.080
  145   2HO*    U  14          2HO*        U  14   6.264  19.274  -3.143
  146    H1*    U  14           H1*        U  14   9.023  21.296  -2.711
  147    H3     U  14           H3         U  14  12.254  18.920  -0.662
  148    H5     U  14           H5         U  14   9.121  18.837   2.138
  149    H6     U  14           H6         U  14   7.840  20.264   0.659
  150   1H5*    C  15          1H5*        C  15   5.708  20.213  -5.198
  151   2H5*    C  15          2H5*        C  15   5.186  21.020  -6.688
  152    H4*    C  15           H4*        C  15   4.192  18.834  -6.529
  153    H3*    C  15           H3*        C  15   2.661  21.024  -7.148
  154    H2*    C  15           H2*        C  15   2.123  21.475  -4.820
  155   2HO*    C  15          2HO*        C  15   0.038  19.904  -5.972
  156    H1*    C  15           H1*        C  15   1.443  18.525  -4.600
  157   1H4     C  15          1H4         C  15   0.669  20.179   1.499
  158   2H4     C  15          2H4         C  15   2.149  21.128   1.477
  159    H5     C  15           H5         C  15   3.456  21.492  -0.539
  160    H6     C  15           H6         C  15   3.652  20.925  -2.901
  161   1H5*    G  16          1H5*        G  16   1.324  15.269  -8.292
  162   2H5*    G  16          2H5*        G  16   1.497  16.389  -6.931
  163    H4*    G  16           H4*        G  16   3.762  16.094  -8.908
  164    H3*    G  16           H3*        G  16   3.219  14.233  -6.569
  165    H2*    G  16           H2*        G  16   5.620  13.991  -6.597
  166   2HO*    G  16          2HO*        G  16   5.687  13.865  -8.986
  167    H1*    G  16           H1*        G  16   5.994  16.695  -7.356
  168    H8     G  16           H8         G  16   7.860  16.150  -5.671
  169    H1     G  16           H1         G  16   3.696  16.089  -0.809
  170   1H2     G  16          1H2         G  16   1.665  16.156  -1.542
  171   2H2     G  16          2H2         G  16   1.266  16.146  -3.254
  172   1H5*    G  17          1H5*        G  17   6.180  12.277  -8.264
  173   2H5*    G  17          2H5*        G  17   5.929  10.523  -8.184
  174    H4*    G  17           H4*        G  17   7.906  11.178  -6.891
  175    H3*    G  17           H3*        G  17   5.555  10.223  -5.251
  176    H2*    G  17           H2*        G  17   7.096  10.273  -3.328
  177   2HO*    G  17          2HO*        G  17   9.068  11.001  -5.274
  178    H1*    G  17           H1*        G  17   7.884  12.808  -3.853
  179    H8     G  17           H8         G  17   4.390  12.737  -5.206
  180    H1     G  17           H1         G  17   4.582  12.923   1.201
  181   1H2     G  17          1H2         G  17   6.653  12.623   1.903
  182   2H2     G  17          2H2         G  17   7.978  12.325   0.795
  183   1H5*    A  18          1H5*        A  18   8.905   8.084  -4.218
  184   2H5*    A  18          2H5*        A  18   8.631   6.347  -3.961
  185    H4*    A  18           H4*        A  18   9.642   7.385  -1.961
  186    H3*    A  18           H3*        A  18   6.744   6.540  -1.658
  187    H2*    A  18           H2*        A  18   7.108   6.956   0.726
  188   2HO*    A  18          2HO*        A  18   9.163   7.589   1.455
  189    H1*    A  18           H1*        A  18   8.148   9.415   0.261
  190    H8     A  18           H8         A  18   5.701   9.024  -2.541
  191   1H6     A  18          1H6         A  18   1.256  10.257   1.618
  192   2H6     A  18          2H6         A  18   1.603  10.053  -0.089
  193    H2     A  18           H2         A  18   5.064   9.639   3.810
  194   1H5*    G  19          1H5*        G  19   9.204   4.777   1.252
  195   2H5*    G  19          2H5*        G  19   8.718   3.138   1.726
  196    H4*    G  19           H4*        G  19   8.882   4.696   3.664
  197    H3*    G  19           H3*        G  19   6.091   3.669   3.041
  198    H2*    G  19           H2*        G  19   5.498   4.676   5.183
  199   2HO*    G  19          2HO*        G  19   7.567   4.238   6.229
  200    H1*    G  19           H1*        G  19   6.589   7.059   4.497
  201    H8     G  19           H8         G  19   5.610   5.792   1.136
  202    H1     G  19           H1         G  19   0.531   7.326   4.734
  203   1H2     G  19          1H2         G  19   1.137   7.485   6.864
  204   2H2     G  19          2H2         G  19   2.811   7.313   7.362
  205   1H5*    G  20          1H5*        G  20   6.825   2.897   7.061
  206   2H5*    G  20          2H5*        G  20   6.409   1.217   7.463
  207    H4*    G  20           H4*        G  20   5.307   2.783   9.011
  208    H3*    G  20           H3*        G  20   3.478   1.346   7.067
  209    H2*    G  20           H2*        G  20   1.666   2.238   8.451
  210   2HO*    G  20          2HO*        G  20   2.877   2.058  10.479
  211    H1*    G  20           H1*        G  20   2.674   4.749   8.411
  212    H8     G  20           H8         G  20   3.692   3.605   5.013
  213    H1     G  20           H1         G  20  -2.665   4.388   5.604
  214   1H2     G  20          1H2         G  20  -3.207   4.571   7.736
  215   2H2     G  20          2H2         G  20  -1.996   4.526   9.003
  216   1H5*    A  21          1H5*        A  21   1.874   0.781  10.907
  217   2H5*    A  21          2H5*        A  21   1.505  -0.936  11.150
  218    H4*    A  21           H4*        A  21  -0.448   0.451  11.690
  219    H3*    A  21           H3*        A  21  -0.685  -1.273   9.204
  220    H2*    A  21           H2*        A  21  -3.013  -0.637   9.167
  221   2HO*    A  21          2HO*        A  21  -3.352  -0.692  11.460
  222    H1*    A  21           H1*        A  21  -2.518   2.008   9.569
  223    H8     A  21           H8         A  21   0.395   0.898   7.495
  224   1H6     A  21          1H6         A  21  -3.482   1.124   2.630
  225   2H6     A  21          2H6         A  21  -1.805   0.946   3.107
  226    H2     A  21           H2         A  21  -5.880   1.501   6.337
  227   1H5*    U  22          1H5*        U  22  -4.154  -4.689   9.684
  228   2H5*    U  22          2H5*        U  22  -3.441  -3.706   8.392
  229    H4*    U  22           H4*        U  22  -5.966  -2.942   9.929
  230    H3*    U  22           H3*        U  22  -5.465  -4.531   7.419
  231    H2*    U  22           H2*        U  22  -7.446  -3.561   6.437
  232   2HO*    U  22          2HO*        U  22  -8.775  -2.173   7.680
  233    H1*    U  22           H1*        U  22  -6.823  -1.017   7.105
  234    H3     U  22           H3         U  22  -5.818  -2.003   2.673
  235    H5     U  22           H5         U  22  -2.239  -2.308   4.859
  236    H6     U  22           H6         U  22  -3.527  -2.163   6.898
  237   1H5*    U  23          1H5*        U  23  -9.356  -4.758   7.738
  238   2H5*    U  23          2H5*        U  23  -9.973  -6.420   7.814
  239    H4*    U  23           H4*        U  23 -11.051  -5.130   5.976
  240    H3*    U  23           H3*        U  23  -9.214  -7.428   5.239
  241    H2*    U  23           H2*        U  23  -9.845  -7.088   2.969
  242   2HO*    U  23          2HO*        U  23 -12.122  -6.955   3.441
  243    H1*    U  23           H1*        U  23 -10.166  -4.278   3.218
  244    H3     U  23           H3         U  23  -7.220  -5.248  -0.183
  245    H5     U  23           H5         U  23  -4.942  -5.074   3.341
  246    H6     U  23           H6         U  23  -6.996  -5.060   4.615
  247   1H5*    U  24          1H5*        U  24 -10.279 -11.249   3.722
  248   2H5*    U  24          2H5*        U  24  -9.288  -9.783   3.576
  249    H4*    U  24           H4*        U  24 -11.435 -10.565   1.556
  250    H3*    U  24           H3*        U  24  -8.473 -11.187   1.630
  251    H2*    U  24           H2*        U  24  -8.599 -11.146  -0.813
  252   2HO*    U  24          2HO*        U  24 -10.607 -10.758  -1.821
  253    H1*    U  24           H1*        U  24  -9.803  -8.724  -0.822
  254    H3     U  24           H3         U  24  -5.294  -8.393  -1.647
  255    H5     U  24           H5         U  24  -5.678  -8.147   2.523
  256    H6     U  24           H6         U  24  -8.019  -8.702   2.286
  257   1H5*    G  25          1H5*        G  25 -10.423 -13.549  -1.273
  258   2H5*    G  25          2H5*        G  25  -9.833 -15.221  -1.322
  259    H4*    G  25           H4*        G  25  -9.801 -14.190  -3.558
  260    H3*    G  25           H3*        G  25  -7.062 -14.739  -2.368
  261    H2*    G  25           H2*        G  25  -6.244 -14.241  -4.615
  262   2HO*    G  25          2HO*        G  25  -8.061 -15.178  -5.759
  263    H1*    G  25           H1*        G  25  -7.650 -11.938  -4.778
  264    H8     G  25           H8         G  25  -6.919 -12.218  -1.112
  265    H1     G  25           H1         G  25  -1.795 -10.528  -4.586
  266   1H2     G  25          1H2         G  25  -2.211 -10.845  -6.743
  267   2H2     G  25          2H2         G  25  -3.756 -11.453  -7.307
  268   1H5*    G  26          1H5*        G  26  -7.388 -16.710  -6.089
  269   2H5*    G  26          2H5*        G  26  -6.608 -18.304  -6.092
  270    H4*    G  26           H4*        G  26  -5.738 -16.851  -7.903
  271    H3*    G  26           H3*        G  26  -3.798 -17.561  -5.702
  272    H2*    G  26           H2*        G  26  -2.102 -16.529  -7.191
  273   2HO*    G  26          2HO*        G  26  -3.061 -17.273  -9.178
  274    H1*    G  26           H1*        G  26  -3.561 -14.315  -7.589
  275    H8     G  26           H8         G  26  -4.598 -15.234  -4.112
  276    H1     G  26           H1         G  26   1.239 -12.585  -4.437
  277   1H2     G  26          1H2         G  26   1.949 -12.573  -6.536
  278   2H2     G  26          2H2         G  26   0.964 -13.192  -7.847
  279   1H5*    C  27          1H5*        C  27  -2.128 -18.864  -9.334
  280   2H5*    C  27          2H5*        C  27  -1.317 -20.439  -9.192
  281    H4*    C  27           H4*        C  27   0.265 -18.713  -9.970
  282    H3*    C  27           H3*        C  27   0.720 -19.696  -7.133
  283    H2*    C  27           H2*        C  27   2.795 -18.414  -7.235
  284   2HO*    C  27          2HO*        C  27   3.229 -18.867  -9.494
  285    H1*    C  27           H1*        C  27   1.569 -16.195  -8.212
  286   1H4     C  27          1H4         C  27   1.223 -15.601  -1.905
  287   2H4     C  27          2H4         C  27  -0.389 -16.291  -1.932
  288    H5     C  27           H5         C  27  -1.396 -17.234  -3.967
  289    H6     C  27           H6         C  27  -1.008 -17.734  -6.284
  290   1H5*    C  28          1H5*        C  28   4.351 -20.257  -9.148
  291   2H5*    C  28          2H5*        C  28   5.136 -21.788  -8.717
  292    H4*    C  28           H4*        C  28   6.629 -19.894  -8.241
  293    H3*    C  28           H3*        C  28   5.505 -21.260  -5.773
  294    H2*    C  28           H2*        C  28   7.090 -19.916  -4.538
  295   2HO*    C  28          2HO*        C  28   8.802 -20.068  -6.132
  296    H1*    C  28           H1*        C  28   6.462 -17.612  -5.870
  297   1H4     C  28          1H4         C  28   2.800 -18.016  -0.687
  298   2H4     C  28          2H4         C  28   1.564 -18.874  -1.589
  299    H5     C  28           H5         C  28   1.876 -19.559  -3.927
  300    H6     C  28           H6         C  28   3.430 -19.570  -5.779
  301    H3T    C  28           H3T        C  28   6.816 -22.565  -7.134
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   5.483 -16.571   8.156
    2   2H5*    G   1          2H5*        G   1   5.737 -14.847   7.813
    3    H4*    G   1           H4*        G   1   7.414 -16.130   6.628
    4    H3*    G   1           H3*        G   1   5.258 -15.025   4.795
    5    H2*    G   1           H2*        G   1   6.685 -15.766   2.979
    6   2HO*    G   1          2HO*        G   1   8.722 -16.687   3.441
    7    H1*    G   1           H1*        G   1   7.014 -18.243   4.015
    8    H8     G   1           H8         G   1   3.608 -17.378   5.252
    9    H1     G   1           H1         G   1   3.729 -18.606  -1.048
   10   1H2     G   1          1H2         G   1   5.828 -18.619  -1.770
   11   2H2     G   1          2H2         G   1   7.181 -18.365  -0.684
   12    H5T    G   1           H5T        G   1   3.531 -15.463   7.652
   13   1H5*    G   2          1H5*        G   2   8.929 -13.960   3.227
   14   2H5*    G   2          2H5*        G   2   9.000 -12.247   2.766
   15    H4*    G   2           H4*        G   2   9.688 -13.661   0.883
   16    H3*    G   2           H3*        G   2   7.014 -12.272   0.581
   17    H2*    G   2           H2*        G   2   7.093 -13.034  -1.758
   18   2HO*    G   2          2HO*        G   2   9.411 -12.751  -1.993
   19    H1*    G   2           H1*        G   2   7.764 -15.563  -1.089
   20    H8     G   2           H8         G   2   5.593 -14.538   1.790
   21    H1     G   2           H1         G   2   2.293 -15.892  -3.549
   22   1H2     G   2          1H2         G   2   3.673 -15.994  -5.284
   23   2H2     G   2          2H2         G   2   5.398 -15.738  -5.106
   24   1H5*    C   3          1H5*        C   3   9.313 -11.167  -2.687
   25   2H5*    C   3          2H5*        C   3   9.115  -9.460  -3.134
   26    H4*    C   3           H4*        C   3   8.508 -10.954  -5.009
   27    H3*    C   3           H3*        C   3   6.188  -9.462  -3.739
   28    H2*    C   3           H2*        C   3   4.897 -10.276  -5.645
   29   2HO*    C   3          2HO*        C   3   5.945 -11.430  -7.299
   30    H1*    C   3           H1*        C   3   5.848 -12.840  -5.373
   31   1H4     C   3          1H4         C   3   0.581 -12.583  -1.843
   32   2H4     C   3          2H4         C   3   1.532 -12.146  -0.437
   33    H5     C   3           H5         C   3   3.927 -11.660  -0.562
   34    H6     C   3           H6         C   3   5.832 -11.530  -2.043
   35   1H5*    C   4          1H5*        C   4   6.233  -8.499  -7.750
   36   2H5*    C   4          2H5*        C   4   5.831  -6.797  -8.074
   37    H4*    C   4           H4*        C   4   4.241  -8.293  -9.211
   38    H3*    C   4           H3*        C   4   3.071  -6.821  -6.827
   39    H2*    C   4           H2*        C   4   0.933  -7.652  -7.674
   40   2HO*    C   4          2HO*        C   4   1.442  -7.477  -9.936
   41    H1*    C   4           H1*        C   4   1.886 -10.190  -7.966
   42   1H4     C   4          1H4         C   4  -0.598  -9.841  -2.149
   43   2H4     C   4          2H4         C   4   0.896  -9.186  -1.502
   44    H5     C   4           H5         C   4   2.820  -8.642  -2.923
   45    H6     C   4           H6         C   4   3.640  -8.604  -5.197
   46   1H5*    A   5          1H5*        A   5   0.724  -5.865 -10.327
   47   2H5*    A   5          2H5*        A   5   0.006  -4.246 -10.194
   48    H4*    A   5           H4*        A   5  -1.689  -6.078 -10.473
   49    H3*    A   5           H3*        A   5  -1.757  -4.534  -7.865
   50    H2*    A   5           H2*        A   5  -3.835  -5.759  -7.440
   51   2HO*    A   5          2HO*        A   5  -4.499  -5.766  -9.719
   52    H1*    A   5           H1*        A   5  -2.726  -8.160  -8.045
   53    H8     A   5           H8         A   5   0.138  -6.286  -6.508
   54   1H6     A   5          1H6         A   5  -2.635  -7.435  -1.043
   55   2H6     A   5          2H6         A   5  -1.148  -6.879  -1.789
   56    H2     A   5           H2         A   5  -5.506  -8.334  -4.284
   57   1H5*    U   6          1H5*        U   6  -5.657  -4.745  -8.681
   58   2H5*    U   6          2H5*        U   6  -6.403  -3.137  -8.640
   59    H4*    U   6           H4*        U   6  -7.563  -4.659  -7.100
   60    H3*    U   6           H3*        U   6  -5.928  -2.495  -5.749
   61    H2*    U   6           H2*        U   6  -7.094  -3.186  -3.718
   62   2HO*    U   6          2HO*        U   6  -8.714  -4.786  -3.839
   63    H1*    U   6           H1*        U   6  -6.623  -5.838  -4.172
   64    H3     U   6           H3         U   6  -3.732  -4.517  -0.893
   65    H5     U   6           H5         U   6  -1.892  -3.358  -4.488
   66    H6     U   6           H6         U   6  -3.928  -3.934  -5.648
   67   1H5*    C   7          1H5*        C   7  -9.948  -2.478  -4.319
   68   2H5*    C   7          2H5*        C   7 -10.556  -0.814  -4.265
   69    H4*    C   7           H4*        C   7 -10.965  -1.929  -2.116
   70    H3*    C   7           H3*        C   7  -8.820   0.213  -2.061
   71    H2*    C   7           H2*        C   7  -8.931  -0.017   0.353
   72   2HO*    C   7          2HO*        C   7 -11.232  -0.257   0.495
   73    H1*    C   7           H1*        C   7  -9.045  -2.769   0.279
   74   1H4     C   7          1H4         C   7  -2.909  -1.484   1.183
   75   2H4     C   7          2H4         C   7  -2.680  -1.207  -0.532
   76    H5     C   7           H5         C   7  -4.522  -1.201  -2.127
   77    H6     C   7           H6         C   7  -6.910  -1.486  -2.383
   78   1H5*    U   8          1H5*        U   8 -12.099   1.125   0.755
   79   2H5*    U   8          2H5*        U   8 -12.342   2.881   0.828
   80    H4*    U   8           H4*        U   8 -11.962   1.930   3.084
   81    H3*    U   8           H3*        U   8  -9.762   3.714   1.998
   82    H2*    U   8           H2*        U   8  -8.808   3.569   4.225
   83   2HO*    U   8          2HO*        U   8 -10.928   3.604   5.302
   84    H1*    U   8           H1*        U   8  -9.188   0.882   4.453
   85    H3     U   8           H3         U   8  -4.752   1.052   3.887
   86    H5     U   8           H5         U   8  -6.230   2.159   0.116
   87    H6     U   8           H6         U   8  -8.460   2.141   1.050
   88   1H5*    U   9          1H5*        U   9 -10.717   5.033   5.879
   89   2H5*    U   9          2H5*        U   9 -10.573   6.791   6.037
   90    H4*    U   9           H4*        U   9  -9.067   5.523   7.590
   91    H3*    U   9           H3*        U   9  -7.744   7.254   5.486
   92    H2*    U   9           H2*        U   9  -5.689   6.807   6.728
   93   2HO*    U   9          2HO*        U   9  -6.626   6.862   8.848
   94    H1*    U   9           H1*        U   9  -6.183   4.132   6.933
   95    H3     U   9           H3         U   9  -2.879   4.457   3.841
   96    H5     U   9           H5         U   9  -6.342   5.608   1.763
   97    H6     U   9           H6         U   9  -7.557   5.538   3.847
   98   1H5*    C  10          1H5*        C  10  -6.527   8.283   9.630
   99   2H5*    C  10          2H5*        C  10  -6.316  10.039   9.754
  100    H4*    C  10           H4*        C  10  -4.335   8.850  10.610
  101    H3*    C  10           H3*        C  10  -3.889  10.361   8.015
  102    H2*    C  10           H2*        C  10  -1.528   9.919   8.429
  103   2HO*    C  10          2HO*        C  10  -0.891   8.882  10.347
  104    H1*    C  10           H1*        C  10  -1.944   7.290   8.954
  105   1H4     C  10          1H4         C  10  -0.987   7.587   2.699
  106   2H4     C  10          2H4         C  10  -2.690   7.896   2.415
  107    H5     C  10           H5         C  10  -4.283   8.260   4.241
  108    H6     C  10           H6         C  10  -4.524   8.365   6.646
  109   1H5*    U  11          1H5*        U  11  -1.131  11.500  11.024
  110   2H5*    U  11          2H5*        U  11  -0.754  13.232  11.022
  111    H4*    U  11           H4*        U  11   1.294  11.861  10.936
  112    H3*    U  11           H3*        U  11   0.688  13.447   8.418
  113    H2*    U  11           H2*        U  11   2.940  12.819   7.742
  114   2HO*    U  11          2HO*        U  11   3.833  12.957   9.929
  115    H1*    U  11           H1*        U  11   2.607  10.205   8.398
  116    H3     U  11           H3         U  11   2.331  10.507   3.842
  117    H5     U  11           H5         U  11  -1.557  11.276   5.244
  118    H6     U  11           H6         U  11  -0.665  11.393   7.481
  119   1H5*    C  12          1H5*        C  12   4.588  14.443   9.536
  120   2H5*    C  12          2H5*        C  12   4.853  16.194   9.386
  121    H4*    C  12           H4*        C  12   6.496  14.945   8.025
  122    H3*    C  12           H3*        C  12   4.383  16.498   6.502
  123    H2*    C  12           H2*        C  12   5.634  15.973   4.512
  124   2HO*    C  12          2HO*        C  12   7.733  16.286   5.580
  125    H1*    C  12           H1*        C  12   6.137  13.356   5.246
  126   1H4     C  12          1H4         C  12   1.202  13.464   1.265
  127   2H4     C  12          2H4         C  12   0.080  13.711   2.592
  128    H5     C  12           H5         C  12   0.841  14.061   4.905
  129    H6     C  12           H6         C  12   2.789  14.246   6.328
  130   1H5*    U  13          1H5*        U  13   7.248  17.720   4.313
  131   2H5*    U  13          2H5*        U  13   7.257  19.492   4.190
  132    H4*    U  13           H4*        U  13   6.912  18.533   1.973
  133    H3*    U  13           H3*        U  13   4.435  19.807   3.178
  134    H2*    U  13           H2*        U  13   3.429  19.522   1.013
  135   2HO*    U  13          2HO*        U  13   5.267  20.098  -0.238
  136    H1*    U  13           H1*        U  13   4.385  16.971   0.663
  137    H3     U  13           H3         U  13  -0.117  16.677   1.429
  138    H5     U  13           H5         U  13   1.565  17.267   5.234
  139    H6     U  13           H6         U  13   3.711  17.607   4.170
  140   1H5*    U  14          1H5*        U  14   6.273  24.067  -0.186
  141   2H5*    U  14          2H5*        U  14   4.665  23.792  -0.879
  142    H4*    U  14           H4*        U  14   6.240  24.105  -2.668
  143    H3*    U  14           H3*        U  14   4.582  21.913  -2.617
  144    H2*    U  14           H2*        U  14   6.191  20.417  -1.716
  145   2HO*    U  14          2HO*        U  14   6.554  20.355  -4.540
  146    H1*    U  14           H1*        U  14   8.271  21.603  -3.549
  147    H3     U  14           H3         U  14  11.728  19.316  -1.787
  148    H5     U  14           H5         U  14   8.860  19.179   1.283
  149    H6     U  14           H6         U  14   7.421  20.568  -0.081
  150   1H5*    C  15          1H5*        C  15   4.606  20.448  -5.651
  151   2H5*    C  15          2H5*        C  15   3.906  21.250  -7.068
  152    H4*    C  15           H4*        C  15   2.937  19.074  -6.775
  153    H3*    C  15           H3*        C  15   1.340  21.258  -7.210
  154    H2*    C  15           H2*        C  15   1.091  21.720  -4.837
  155   2HO*    C  15          2HO*        C  15  -1.116  20.137  -5.712
  156    H1*    C  15           H1*        C  15   0.448  18.770  -4.515
  157   1H4     C  15          1H4         C  15   0.439  20.498   1.622
  158   2H4     C  15          2H4         C  15   1.903  21.444   1.401
  159    H5     C  15           H5         C  15   2.954  21.776  -0.765
  160    H6     C  15           H6         C  15   2.854  21.178  -3.126
  161   1H5*    G  16          1H5*        G  16  -0.050  15.484  -8.187
  162   2H5*    G  16          2H5*        G  16   0.305  16.602  -6.861
  163    H4*    G  16           H4*        G  16   2.266  16.314  -9.148
  164    H3*    G  16           H3*        G  16   2.081  14.501  -6.718
  165    H2*    G  16           H2*        G  16   4.451  14.284  -7.049
  166   2HO*    G  16          2HO*        G  16   5.430  15.029  -8.979
  167    H1*    G  16           H1*        G  16   4.700  16.971  -7.907
  168    H8     G  16           H8         G  16   6.765  16.511  -6.438
  169    H1     G  16           H1         G  16   3.196  16.413  -1.124
  170   1H2     G  16          1H2         G  16   1.092  16.416  -1.619
  171   2H2     G  16          2H2         G  16   0.500  16.375  -3.272
  172   1H5*    G  17          1H5*        G  17   4.827  12.566  -8.706
  173   2H5*    G  17          2H5*        G  17   4.645  10.810  -8.562
  174    H4*    G  17           H4*        G  17   6.743  11.562  -7.523
  175    H3*    G  17           H3*        G  17   4.640  10.546  -5.606
  176    H2*    G  17           H2*        G  17   6.396  10.693  -3.881
  177   2HO*    G  17          2HO*        G  17   8.170  10.115  -5.301
  178    H1*    G  17           H1*        G  17   7.005  13.245  -4.521
  179    H8     G  17           H8         G  17   3.391  13.055  -5.481
  180    H1     G  17           H1         G  17   4.254  13.269   0.867
  181   1H2     G  17          1H2         G  17   6.400  13.040   1.349
  182   2H2     G  17          2H2         G  17   7.610  12.787   0.105
  183   1H5*    A  18          1H5*        A  18   8.200   8.514  -4.921
  184   2H5*    A  18          2H5*        A  18   7.981   6.786  -4.569
  185    H4*    A  18           H4*        A  18   9.187   7.954  -2.738
  186    H3*    A  18           H3*        A  18   6.400   6.954  -2.096
  187    H2*    A  18           H2*        A  18   6.980   7.478   0.221
  188   2HO*    A  18          2HO*        A  18   9.056   8.247   0.715
  189    H1*    A  18           H1*        A  18   7.817   9.972  -0.405
  190    H8     A  18           H8         A  18   5.137   9.397  -2.945
  191   1H6     A  18          1H6         A  18   1.046  10.443   1.609
  192   2H6     A  18          2H6         A  18   1.240  10.226  -0.120
  193    H2     A  18           H2         A  18   5.075  10.063   3.433
  194   1H5*    G  19          1H5*        G  19   9.259   5.480   0.588
  195   2H5*    G  19          2H5*        G  19   8.952   3.827   1.154
  196    H4*    G  19           H4*        G  19   9.181   5.458   3.020
  197    H3*    G  19           H3*        G  19   6.442   4.187   2.691
  198    H2*    G  19           H2*        G  19   5.955   5.206   4.854
  199   2HO*    G  19          2HO*        G  19   8.143   4.967   5.713
  200    H1*    G  19           H1*        G  19   6.784   7.650   4.023
  201    H8     G  19           H8         G  19   5.609   6.219   0.796
  202    H1     G  19           H1         G  19   0.768   7.464   4.809
  203   1H2     G  19          1H2         G  19   1.543   7.726   6.876
  204   2H2     G  19          2H2         G  19   3.262   7.694   7.220
  205   1H5*    G  20          1H5*        G  20   7.573   3.585   6.640
  206   2H5*    G  20          2H5*        G  20   7.342   1.884   7.097
  207    H4*    G  20           H4*        G  20   6.220   3.373   8.705
  208    H3*    G  20           H3*        G  20   4.385   1.748   6.919
  209    H2*    G  20           H2*        G  20   2.609   2.505   8.418
  210   2HO*    G  20          2HO*        G  20   3.968   2.451  10.357
  211    H1*    G  20           H1*        G  20   3.403   5.093   8.307
  212    H8     G  20           H8         G  20   4.219   3.981   4.839
  213    H1     G  20           H1         G  20  -2.102   4.387   5.947
  214   1H2     G  20          1H2         G  20  -2.476   4.604   8.108
  215   2H2     G  20          2H2         G  20  -1.167   4.659   9.273
  216   1H5*    A  21          1H5*        A  21   3.127   1.065  10.856
  217   2H5*    A  21          2H5*        A  21   2.883  -0.670  11.121
  218    H4*    A  21           H4*        A  21   0.873   0.587  11.758
  219    H3*    A  21           H3*        A  21   0.602  -1.139   9.274
  220    H2*    A  21           H2*        A  21  -1.760  -0.638   9.378
  221   2HO*    A  21          2HO*        A  21  -1.970  -0.692  11.685
  222    H1*    A  21           H1*        A  21  -1.386   2.025   9.723
  223    H8     A  21           H8         A  21   1.497   1.006   7.547
  224   1H6     A  21          1H6         A  21  -2.566   1.038   2.835
  225   2H6     A  21          2H6         A  21  -0.867   0.916   3.249
  226    H2     A  21           H2         A  21  -4.834   1.360   6.627
  227   1H5*    U  22          1H5*        U  22  -2.794  -4.679  10.078
  228   2H5*    U  22          2H5*        U  22  -2.186  -3.761   8.687
  229    H4*    U  22           H4*        U  22  -4.587  -2.924  10.378
  230    H3*    U  22           H3*        U  22  -4.250  -4.652   7.943
  231    H2*    U  22           H2*        U  22  -6.203  -3.704   6.931
  232   2HO*    U  22          2HO*        U  22  -7.470  -3.633   8.878
  233    H1*    U  22           H1*        U  22  -5.637  -1.108   7.554
  234    H3     U  22           H3         U  22  -4.824  -2.079   3.073
  235    H5     U  22           H5         U  22  -1.155  -2.393   5.099
  236    H6     U  22           H6         U  22  -2.346  -2.239   7.189
  237   1H5*    U  23          1H5*        U  23  -7.571  -7.846   7.013
  238   2H5*    U  23          2H5*        U  23  -6.421  -6.788   6.173
  239    H4*    U  23           H4*        U  23  -9.391  -6.161   6.493
  240    H3*    U  23           H3*        U  23  -7.822  -7.661   4.398
  241    H2*    U  23           H2*        U  23  -9.222  -6.688   2.693
  242   2HO*    U  23          2HO*        U  23 -11.191  -6.761   3.955
  243    H1*    U  23           H1*        U  23  -9.020  -4.148   3.631
  244    H3     U  23           H3         U  23  -6.195  -5.157   0.023
  245    H5     U  23           H5         U  23  -3.870  -5.128   3.519
  246    H6     U  23           H6         U  23  -5.898  -5.050   4.819
  247   1H5*    U  24          1H5*        U  24 -11.368  -8.694   2.973
  248   2H5*    U  24          2H5*        U  24 -11.501 -10.454   2.764
  249    H4*    U  24           H4*        U  24 -11.732  -9.354   0.594
  250    H3*    U  24           H3*        U  24  -9.047 -10.729   0.952
  251    H2*    U  24           H2*        U  24  -8.786 -10.324  -1.445
  252   2HO*    U  24          2HO*        U  24 -11.028 -10.640  -2.011
  253    H1*    U  24           H1*        U  24  -9.502  -7.714  -1.208
  254    H3     U  24           H3         U  24  -4.982  -8.030  -1.722
  255    H5     U  24           H5         U  24  -5.623  -8.517   2.394
  256    H6     U  24           H6         U  24  -7.998  -8.600   1.957
  257   1H5*    G  25          1H5*        G  25 -11.088 -12.305  -2.554
  258   2H5*    G  25          2H5*        G  25 -10.779 -14.042  -2.726
  259    H4*    G  25           H4*        G  25 -10.285 -12.810  -4.808
  260    H3*    G  25           H3*        G  25  -7.861 -13.991  -3.412
  261    H2*    G  25           H2*        G  25  -6.695 -13.436  -5.481
  262   2HO*    G  25          2HO*        G  25  -8.493 -13.896  -6.915
  263    H1*    G  25           H1*        G  25  -7.646 -10.907  -5.521
  264    H8     G  25           H8         G  25  -7.405 -11.689  -1.859
  265    H1     G  25           H1         G  25  -1.704 -10.600  -4.599
  266   1H2     G  25          1H2         G  25  -1.914 -10.627  -6.809
  267   2H2     G  25          2H2         G  25  -3.463 -10.897  -7.584
  268   1H5*    G  26          1H5*        G  26  -8.073 -15.482  -7.370
  269   2H5*    G  26          2H5*        G  26  -7.598 -17.187  -7.480
  270    H4*    G  26           H4*        G  26  -6.255 -15.774  -9.005
  271    H3*    G  26           H3*        G  26  -4.766 -17.016  -6.691
  272    H2*    G  26           H2*        G  26  -2.745 -16.206  -7.875
  273   2HO*    G  26          2HO*        G  26  -2.983 -15.196  -9.889
  274    H1*    G  26           H1*        G  26  -3.732 -13.729  -8.188
  275    H8     G  26           H8         G  26  -5.320 -14.771  -4.956
  276    H1     G  26           H1         G  26   0.856 -13.115  -4.397
  277   1H2     G  26          1H2         G  26   1.803 -13.033  -6.402
  278   2H2     G  26          2H2         G  26   0.892 -13.356  -7.863
  279   1H5*    C  27          1H5*        C  27  -2.926 -18.183 -10.227
  280   2H5*    C  27          2H5*        C  27  -2.414 -19.886 -10.244
  281    H4*    C  27           H4*        C  27  -0.479 -18.429 -10.631
  282    H3*    C  27           H3*        C  27  -0.532 -19.745  -7.895
  283    H2*    C  27           H2*        C  27   1.719 -18.868  -7.635
  284   2HO*    C  27          2HO*        C  27   2.719 -17.781  -9.364
  285    H1*    C  27           H1*        C  27   1.024 -16.372  -8.475
  286   1H4     C  27          1H4         C  27   0.036 -16.311  -2.214
  287   2H4     C  27          2H4         C  27  -1.649 -16.721  -2.474
  288    H5     C  27           H5         C  27  -2.546 -17.297  -4.690
  289    H6     C  27           H6         C  27  -1.974 -17.640  -6.997
  290   1H5*    C  28          1H5*        C  28   3.137 -20.611  -9.559
  291   2H5*    C  28          2H5*        C  28   3.676 -22.280  -9.283
  292    H4*    C  28           H4*        C  28   5.338 -20.702  -8.413
  293    H3*    C  28           H3*        C  28   3.775 -22.172  -6.262
  294    H2*    C  28           H2*        C  28   5.361 -21.226  -4.710
  295   2HO*    C  28          2HO*        C  28   7.216 -21.444  -6.136
  296    H1*    C  28           H1*        C  28   5.222 -18.715  -5.790
  297   1H4     C  28          1H4         C  28   0.966 -19.096  -1.088
  298   2H4     C  28          2H4         C  28  -0.260 -19.677  -2.200
  299    H5     C  28           H5         C  28   0.226 -20.173  -4.555
  300    H6     C  28           H6         C  28   1.965 -20.224  -6.232
  301    H3T    C  28           H3T        C  28   5.048 -23.480  -7.655
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   5.436 -15.534   8.302
    2   2H5*    G   1          2H5*        G   1   5.643 -13.833   7.832
    3    H4*    G   1           H4*        G   1   7.359 -15.155   6.741
    4    H3*    G   1           H3*        G   1   5.175 -14.249   4.841
    5    H2*    G   1           H2*        G   1   6.622 -15.087   3.080
    6   2HO*    G   1          2HO*        G   1   8.682 -15.926   3.612
    7    H1*    G   1           H1*        G   1   7.017 -17.470   4.301
    8    H8     G   1           H8         G   1   3.586 -16.606   5.466
    9    H1     G   1           H1         G   1   3.746 -18.285  -0.726
   10   1H2     G   1          1H2         G   1   5.848 -18.300  -1.448
   11   2H2     G   1          2H2         G   1   7.189 -17.933  -0.382
   12    H5T    G   1           H5T        G   1   3.457 -14.514   7.712
   13   1H5*    G   2          1H5*        G   2   8.824 -13.209   3.187
   14   2H5*    G   2          2H5*        G   2   8.850 -11.538   2.594
   15    H4*    G   2           H4*        G   2   9.571 -13.078   0.828
   16    H3*    G   2           H3*        G   2   6.868 -11.773   0.424
   17    H2*    G   2           H2*        G   2   6.956 -12.714  -1.848
   18   2HO*    G   2          2HO*        G   2   9.270 -12.394  -2.100
   19    H1*    G   2           H1*        G   2   7.682 -15.171  -0.990
   20    H8     G   2           H8         G   2   5.504 -13.980   1.816
   21    H1     G   2           H1         G   2   2.203 -15.764  -3.392
   22   1H2     G   2          1H2         G   2   3.577 -15.966  -5.126
   23   2H2     G   2          2H2         G   2   5.297 -15.668  -4.977
   24   1H5*    C   3          1H5*        C   3   9.103 -10.866  -2.932
   25   2H5*    C   3          2H5*        C   3   8.868  -9.198  -3.497
   26    H4*    C   3           H4*        C   3   8.258 -10.823  -5.254
   27    H3*    C   3           H3*        C   3   5.931  -9.296  -4.040
   28    H2*    C   3           H2*        C   3   4.622 -10.257  -5.865
   29   2HO*    C   3          2HO*        C   3   5.661 -11.502  -7.457
   30    H1*    C   3           H1*        C   3   5.620 -12.779  -5.433
   31   1H4     C   3          1H4         C   3   0.431 -12.367  -1.808
   32   2H4     C   3          2H4         C   3   1.408 -11.828  -0.454
   33    H5     C   3           H5         C   3   3.790 -11.310  -0.669
   34    H6     C   3           H6         C   3   5.658 -11.253  -2.198
   35   1H5*    C   4          1H5*        C   4   5.875  -8.602  -8.089
   36   2H5*    C   4          2H5*        C   4   5.452  -6.928  -8.519
   37    H4*    C   4           H4*        C   4   3.847  -8.501  -9.522
   38    H3*    C   4           H3*        C   4   2.713  -6.896  -7.207
   39    H2*    C   4           H2*        C   4   0.568  -7.796  -7.963
   40   2HO*    C   4          2HO*        C   4   1.043  -7.750 -10.244
   41    H1*    C   4           H1*        C   4   1.541 -10.338  -8.118
   42   1H4     C   4          1H4         C   4  -0.828  -9.675  -2.288
   43   2H4     C   4          2H4         C   4   0.668  -8.968  -1.707
   44    H5     C   4           H5         C   4   2.563  -8.488  -3.195
   45    H6     C   4           H6         C   4   3.334  -8.572  -5.485
   46   1H5*    A   5          1H5*        A   5   0.299  -6.185 -10.703
   47   2H5*    A   5          2H5*        A   5  -0.427  -4.567 -10.664
   48    H4*    A   5           H4*        A   5  -2.121  -6.410 -10.793
   49    H3*    A   5           H3*        A   5  -2.133  -4.733  -8.267
   50    H2*    A   5           H2*        A   5  -4.203  -5.927  -7.743
   51   2HO*    A   5          2HO*        A   5  -4.913  -6.049 -10.005
   52    H1*    A   5           H1*        A   5  -3.101  -8.360  -8.248
   53    H8     A   5           H8         A   5  -0.233  -6.378  -6.853
   54   1H6     A   5          1H6         A   5  -2.894  -7.294  -1.292
   55   2H6     A   5          2H6         A   5  -1.432  -6.746  -2.092
   56    H2     A   5           H2         A   5  -5.799  -8.421  -4.431
   57   1H5*    U   6          1H5*        U   6  -6.036  -4.933  -9.017
   58   2H5*    U   6          2H5*        U   6  -6.767  -3.319  -9.041
   59    H4*    U   6           H4*        U   6  -7.916  -4.754  -7.415
   60    H3*    U   6           H3*        U   6  -6.241  -2.550  -6.183
   61    H2*    U   6           H2*        U   6  -7.383  -3.143  -4.111
   62   2HO*    U   6          2HO*        U   6  -9.022  -4.722  -4.140
   63    H1*    U   6           H1*        U   6  -6.955  -5.818  -4.461
   64    H3     U   6           H3         U   6  -4.028  -4.383  -1.261
   65    H5     U   6           H5         U   6  -2.196  -3.417  -4.917
   66    H6     U   6           H6         U   6  -4.241  -4.017  -6.037
   67   1H5*    C   7          1H5*        C   7 -10.253  -2.426  -4.770
   68   2H5*    C   7          2H5*        C   7 -10.844  -0.758  -4.666
   69    H4*    C   7           H4*        C   7 -11.191  -1.949  -2.534
   70    H3*    C   7           H3*        C   7  -9.081   0.226  -2.466
   71    H2*    C   7           H2*        C   7  -9.160  -0.066  -0.053
   72   2HO*    C   7          2HO*        C   7 -10.705  -1.447   0.877
   73    H1*    C   7           H1*        C   7  -9.125  -2.811  -0.220
   74   1H4     C   7          1H4         C   7  -3.045  -1.188   0.453
   75   2H4     C   7          2H4         C   7  -2.899  -0.868  -1.265
   76    H5     C   7           H5         C   7  -4.813  -0.944  -2.791
   77    H6     C   7           H6         C   7  -7.191  -1.360  -2.946
   78   1H5*    U   8          1H5*        U   8 -12.208   0.776   0.474
   79   2H5*    U   8          2H5*        U   8 -12.636   2.491   0.645
   80    H4*    U   8           H4*        U   8 -12.138   1.476   2.843
   81    H3*    U   8           H3*        U   8 -10.142   3.525   1.836
   82    H2*    U   8           H2*        U   8  -9.140   3.389   4.024
   83   2HO*    U   8          2HO*        U   8 -11.109   3.283   5.230
   84    H1*    U   8           H1*        U   8  -9.311   0.653   4.182
   85    H3     U   8           H3         U   8  -4.889   1.288   3.698
   86    H5     U   8           H5         U   8  -6.431   2.270  -0.085
   87    H6     U   8           H6         U   8  -8.657   2.059   0.832
   88   1H5*    U   9          1H5*        U   9  -9.834   7.265   5.148
   89   2H5*    U   9          2H5*        U   9  -8.865   6.449   3.908
   90    H4*    U   9           H4*        U   9  -9.026   5.566   6.826
   91    H3*    U   9           H3*        U   9  -7.077   7.288   5.287
   92    H2*    U   9           H2*        U   9  -5.324   6.405   6.721
   93   2HO*    U   9          2HO*        U   9  -5.860   4.998   8.432
   94    H1*    U   9           H1*        U   9  -6.082   3.825   6.385
   95    H3     U   9           H3         U   9  -2.462   4.621   3.649
   96    H5     U   9           H5         U   9  -5.857   5.586   1.374
   97    H6     U   9           H6         U   9  -7.191   5.393   3.373
   98   1H5*    C  10          1H5*        C  10  -6.087   7.640   9.360
   99   2H5*    C  10          2H5*        C  10  -5.873   9.346   9.805
  100    H4*    C  10           H4*        C  10  -3.891   8.083  10.475
  101    H3*    C  10           H3*        C  10  -3.453   9.877   8.069
  102    H2*    C  10           H2*        C  10  -1.096   9.375   8.381
  103   2HO*    C  10          2HO*        C  10  -0.430   8.121  10.155
  104    H1*    C  10           H1*        C  10  -1.525   6.706   8.620
  105   1H4     C  10          1H4         C  10  -0.620   7.750   2.441
  106   2H4     C  10          2H4         C  10  -2.336   8.026   2.198
  107    H5     C  10           H5         C  10  -3.930   8.112   4.064
  108    H6     C  10           H6         C  10  -4.153   7.939   6.465
  109   1H5*    U  11          1H5*        U  11  -0.620  10.690  11.116
  110   2H5*    U  11          2H5*        U  11  -0.294  12.423  11.301
  111    H4*    U  11           H4*        U  11   1.796  11.167  11.019
  112    H3*    U  11           H3*        U  11   1.056  12.936   8.663
  113    H2*    U  11           H2*        U  11   3.319  12.471   7.892
  114   2HO*    U  11          2HO*        U  11   4.264  12.467  10.055
  115    H1*    U  11           H1*        U  11   3.107   9.799   8.331
  116    H3     U  11           H3         U  11   2.718  10.441   3.824
  117    H5     U  11           H5         U  11  -1.160  10.983   5.355
  118    H6     U  11           H6         U  11  -0.228  10.946   7.578
  119   1H5*    C  12          1H5*        C  12   4.928  14.043   9.795
  120   2H5*    C  12          2H5*        C  12   5.096  15.809   9.770
  121    H4*    C  12           H4*        C  12   6.770  14.764   8.286
  122    H3*    C  12           H3*        C  12   4.533  16.281   6.904
  123    H2*    C  12           H2*        C  12   5.794  15.969   4.872
  124   2HO*    C  12          2HO*        C  12   7.887  16.335   5.933
  125    H1*    C  12           H1*        C  12   6.457  13.344   5.424
  126   1H4     C  12          1H4         C  12   1.490  13.450   1.488
  127   2H4     C  12          2H4         C  12   0.365  13.582   2.829
  128    H5     C  12           H5         C  12   1.124  13.821   5.158
  129    H6     C  12           H6         C  12   3.071  13.996   6.586
  130   1H5*    U  13          1H5*        U  13   7.301  17.799   4.770
  131   2H5*    U  13          2H5*        U  13   7.206  19.573   4.746
  132    H4*    U  13           H4*        U  13   6.901  18.711   2.481
  133    H3*    U  13           H3*        U  13   4.369  19.790   3.756
  134    H2*    U  13           H2*        U  13   3.368  19.566   1.583
  135   2HO*    U  13          2HO*        U  13   5.160  20.296   0.357
  136    H1*    U  13           H1*        U  13   4.450  17.088   1.100
  137    H3     U  13           H3         U  13  -0.030  16.541   1.871
  138    H5     U  13           H5         U  13   1.651  17.005   5.694
  139    H6     U  13           H6         U  13   3.771  17.502   4.638
  140   1H5*    U  14          1H5*        U  14   5.975  24.295   0.606
  141   2H5*    U  14          2H5*        U  14   4.378  23.991  -0.094
  142    H4*    U  14           H4*        U  14   5.923  24.468  -1.869
  143    H3*    U  14           H3*        U  14   4.368  22.206  -1.942
  144    H2*    U  14           H2*        U  14   6.044  20.758  -1.088
  145   2HO*    U  14          2HO*        U  14   6.839  19.562  -2.871
  146    H1*    U  14           H1*        U  14   8.054  22.102  -2.893
  147    H3     U  14           H3         U  14  11.644  19.927  -1.261
  148    H5     U  14           H5         U  14   8.813  19.490   1.816
  149    H6     U  14           H6         U  14   7.293  20.862   0.530
  150   1H5*    C  15          1H5*        C  15   4.484  20.882  -5.016
  151   2H5*    C  15          2H5*        C  15   3.750  21.707  -6.403
  152    H4*    C  15           H4*        C  15   2.888  19.475  -6.218
  153    H3*    C  15           H3*        C  15   1.186  21.595  -6.554
  154    H2*    C  15           H2*        C  15   0.909  21.926  -4.162
  155   2HO*    C  15          2HO*        C  15  -1.213  20.280  -5.128
  156    H1*    C  15           H1*        C  15   0.414  18.936  -3.988
  157   1H4     C  15          1H4         C  15   0.318  20.324   2.231
  158   2H4     C  15          2H4         C  15   1.730  21.355   2.066
  159    H5     C  15           H5         C  15   2.758  21.864  -0.079
  160    H6     C  15           H6         C  15   2.688  21.391  -2.468
  161   1H5*    G  16          1H5*        G  16   0.079  15.824  -7.852
  162   2H5*    G  16          2H5*        G  16   0.366  16.878  -6.455
  163    H4*    G  16           H4*        G  16   2.355  16.837  -8.735
  164    H3*    G  16           H3*        G  16   2.254  14.850  -6.437
  165    H2*    G  16           H2*        G  16   4.640  14.792  -6.767
  166   2HO*    G  16          2HO*        G  16   4.417  14.757  -9.151
  167    H1*    G  16           H1*        G  16   4.737  17.540  -7.435
  168    H8     G  16           H8         G  16   6.825  17.069  -6.003
  169    H1     G  16           H1         G  16   3.276  16.542  -0.701
  170   1H2     G  16          1H2         G  16   1.172  16.484  -1.194
  171   2H2     G  16          2H2         G  16   0.579  16.490  -2.847
  172   1H5*    G  17          1H5*        G  17   5.123  13.182  -8.536
  173   2H5*    G  17          2H5*        G  17   5.001  11.412  -8.499
  174    H4*    G  17           H4*        G  17   7.063  12.173  -7.394
  175    H3*    G  17           H3*        G  17   4.975  10.983  -5.557
  176    H2*    G  17           H2*        G  17   6.724  11.086  -3.817
  177   2HO*    G  17          2HO*        G  17   8.517  10.640  -5.257
  178    H1*    G  17           H1*        G  17   7.257  13.689  -4.317
  179    H8     G  17           H8         G  17   3.646  13.406  -5.282
  180    H1     G  17           H1         G  17   4.526  13.378   1.068
  181   1H2     G  17          1H2         G  17   6.682  13.208   1.532
  182   2H2     G  17          2H2         G  17   7.894  13.051   0.275
  183   1H5*    A  18          1H5*        A  18   8.581   8.974  -4.981
  184   2H5*    A  18          2H5*        A  18   8.384   7.227  -4.731
  185    H4*    A  18           H4*        A  18   9.570   8.296  -2.835
  186    H3*    A  18           H3*        A  18   6.790   7.238  -2.253
  187    H2*    A  18           H2*        A  18   7.368   7.648   0.093
  188   2HO*    A  18          2HO*        A  18   9.629   7.108  -0.074
  189    H1*    A  18           H1*        A  18   8.177  10.175  -0.401
  190    H8     A  18           H8         A  18   5.506   9.704  -2.974
  191   1H6     A  18          1H6         A  18   1.401  10.468   1.626
  192   2H6     A  18          2H6         A  18   1.594  10.343  -0.112
  193    H2     A  18           H2         A  18   5.432  10.042   3.429
  194   1H5*    G  19          1H5*        G  19   9.668   5.505   0.350
  195   2H5*    G  19          2H5*        G  19   9.277   3.841   0.821
  196    H4*    G  19           H4*        G  19   9.563   5.395   2.762
  197    H3*    G  19           H3*        G  19   6.810   4.162   2.402
  198    H2*    G  19           H2*        G  19   6.343   5.103   4.597
  199   2HO*    G  19          2HO*        G  19   8.540   4.813   5.429
  200    H1*    G  19           H1*        G  19   7.186   7.567   3.867
  201    H8     G  19           H8         G  19   6.004   6.339   0.567
  202    H1     G  19           H1         G  19   1.170   7.355   4.653
  203   1H2     G  19          1H2         G  19   1.950   7.463   6.731
  204   2H2     G  19          2H2         G  19   3.670   7.390   7.071
  205   1H5*    G  20          1H5*        G  20   7.905   3.471   6.347
  206   2H5*    G  20          2H5*        G  20   7.773   1.735   6.698
  207    H4*    G  20           H4*        G  20   6.572   3.019   8.407
  208    H3*    G  20           H3*        G  20   4.848   1.456   6.466
  209    H2*    G  20           H2*        G  20   2.986   2.007   7.906
  210   2HO*    G  20          2HO*        G  20   4.103   1.779   9.918
  211    H1*    G  20           H1*        G  20   3.686   4.625   8.150
  212    H8     G  20           H8         G  20   4.583   3.885   4.585
  213    H1     G  20           H1         G  20  -1.754   4.224   5.633
  214   1H2     G  20          1H2         G  20  -2.162   4.228   7.803
  215   2H2     G  20          2H2         G  20  -0.869   4.160   8.985
  216   1H5*    A  21          1H5*        A  21   2.466  -2.103   9.302
  217   2H5*    A  21          2H5*        A  21   1.935  -1.067   7.967
  218    H4*    A  21           H4*        A  21   1.493  -0.511  10.936
  219    H3*    A  21           H3*        A  21   0.031  -2.043   8.883
  220    H2*    A  21           H2*        A  21  -1.984  -0.822   8.902
  221   2HO*    A  21          2HO*        A  21  -2.174  -0.875  11.222
  222    H1*    A  21           H1*        A  21  -1.081   1.688   9.353
  223    H8     A  21           H8         A  21   1.575   0.710   7.020
  224   1H6     A  21          1H6         A  21  -2.628   1.278   2.468
  225   2H6     A  21          2H6         A  21  -0.920   1.084   2.814
  226    H2     A  21           H2         A  21  -4.777   1.250   6.341
  227   1H5*    U  22          1H5*        U  22  -2.919  -4.886   9.186
  228   2H5*    U  22          2H5*        U  22  -2.151  -3.594   8.245
  229    H4*    U  22           H4*        U  22  -4.918  -3.271   9.478
  230    H3*    U  22           H3*        U  22  -4.067  -4.398   6.812
  231    H2*    U  22           H2*        U  22  -6.223  -3.686   5.968
  232   2HO*    U  22          2HO*        U  22  -7.497  -3.897   7.906
  233    H1*    U  22           H1*        U  22  -5.750  -1.178   6.882
  234    H3     U  22           H3         U  22  -4.811  -1.767   2.365
  235    H5     U  22           H5         U  22  -1.185  -2.268   4.431
  236    H6     U  22           H6         U  22  -2.429  -2.280   6.504
  237   1H5*    U  23          1H5*        U  23  -8.151  -7.568   7.293
  238   2H5*    U  23          2H5*        U  23  -6.840  -6.763   6.408
  239    H4*    U  23           H4*        U  23  -9.781  -5.957   6.245
  240    H3*    U  23           H3*        U  23  -7.966  -7.680   4.534
  241    H2*    U  23           H2*        U  23  -9.268  -6.952   2.628
  242   2HO*    U  23          2HO*        U  23 -11.324  -6.996   3.770
  243    H1*    U  23           H1*        U  23  -9.309  -4.318   3.411
  244    H3     U  23           H3         U  23  -6.565  -5.048  -0.258
  245    H5     U  23           H5         U  23  -4.108  -5.166   3.147
  246    H6     U  23           H6         U  23  -6.086  -5.224   4.520
  247   1H5*    U  24          1H5*        U  24 -11.576  -8.750   2.929
  248   2H5*    U  24          2H5*        U  24 -11.678 -10.520   2.810
  249    H4*    U  24           H4*        U  24 -11.930  -9.559   0.585
  250    H3*    U  24           H3*        U  24  -9.207 -10.830   1.018
  251    H2*    U  24           H2*        U  24  -8.964 -10.576  -1.395
  252   2HO*    U  24          2HO*        U  24 -10.706  -9.776  -2.623
  253    H1*    U  24           H1*        U  24  -9.815  -7.982  -1.336
  254    H3     U  24           H3         U  24  -5.332  -7.788  -1.922
  255    H5     U  24           H5         U  24  -5.773  -8.660   2.160
  256    H6     U  24           H6         U  24  -8.150  -8.893   1.794
  257   1H5*    G  25          1H5*        G  25 -11.208 -12.562  -2.357
  258   2H5*    G  25          2H5*        G  25 -10.916 -14.308  -2.462
  259    H4*    G  25           H4*        G  25 -10.440 -13.218  -4.604
  260    H3*    G  25           H3*        G  25  -7.959 -14.214  -3.161
  261    H2*    G  25           H2*        G  25  -6.847 -13.783  -5.286
  262   2HO*    G  25          2HO*        G  25  -8.067 -13.068  -7.071
  263    H1*    G  25           H1*        G  25  -7.895 -11.288  -5.489
  264    H8     G  25           H8         G  25  -7.533 -11.877  -1.793
  265    H1     G  25           H1         G  25  -1.970 -10.605  -4.725
  266   1H2     G  25          1H2         G  25  -2.228 -10.752  -6.928
  267   2H2     G  25          2H2         G  25  -3.780 -11.137  -7.650
  268   1H5*    G  26          1H5*        G  26  -8.198 -15.889  -6.982
  269   2H5*    G  26          2H5*        G  26  -7.679 -17.586  -7.055
  270    H4*    G  26           H4*        G  26  -6.426 -16.201  -8.671
  271    H3*    G  26           H3*        G  26  -4.824 -17.292  -6.355
  272    H2*    G  26           H2*        G  26  -2.867 -16.447  -7.618
  273   2HO*    G  26          2HO*        G  26  -3.716 -16.950  -9.726
  274    H1*    G  26           H1*        G  26  -3.956 -14.026  -8.016
  275    H8     G  26           H8         G  26  -5.416 -15.002  -4.698
  276    H1     G  26           H1         G  26   0.690 -13.045  -4.382
  277   1H2     G  26          1H2         G  26   1.583 -13.028  -6.412
  278   2H2     G  26          2H2         G  26   0.651 -13.453  -7.834
  279   1H5*    C  27          1H5*        C  27  -2.982 -18.654  -9.891
  280   2H5*    C  27          2H5*        C  27  -2.407 -20.330  -9.749
  281    H4*    C  27           H4*        C  27  -0.535 -18.810 -10.266
  282    H3*    C  27           H3*        C  27  -0.523 -19.948  -7.452
  283    H2*    C  27           H2*        C  27   1.699 -18.964  -7.274
  284   2HO*    C  27          2HO*        C  27   2.324 -19.383  -9.491
  285    H1*    C  27           H1*        C  27   0.893 -16.562  -8.260
  286   1H4     C  27          1H4         C  27  -0.033 -16.164  -2.000
  287   2H4     C  27          2H4         C  27  -1.705 -16.648  -2.211
  288    H5     C  27           H5         C  27  -2.607 -17.381  -4.380
  289    H6     C  27           H6         C  27  -2.048 -17.832  -6.674
  290   1H5*    C  28          1H5*        C  28   3.210 -20.906  -9.097
  291   2H5*    C  28          2H5*        C  28   3.747 -22.537  -8.651
  292    H4*    C  28           H4*        C  28   5.393 -20.846  -7.946
  293    H3*    C  28           H3*        C  28   3.866 -22.176  -5.685
  294    H2*    C  28           H2*        C  28   5.438 -21.085  -4.208
  295   2HO*    C  28          2HO*        C  28   7.338 -21.319  -5.461
  296    H1*    C  28           H1*        C  28   5.243 -18.668  -5.475
  297   1H4     C  28          1H4         C  28   1.013 -18.820  -0.732
  298   2H4     C  28          2H4         C  28  -0.209 -19.485  -1.802
  299    H5     C  28           H5         C  28   0.276 -20.107  -4.128
  300    H6     C  28           H6         C  28   2.010 -20.235  -5.806
  301    H3T    C  28           H3T        C  28   6.460 -22.582  -6.817
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   6.475 -15.927   8.109
    2   2H5*    G   1          2H5*        G   1   6.637 -14.199   7.740
    3    H4*    G   1           H4*        G   1   8.342 -15.410   6.522
    4    H3*    G   1           H3*        G   1   6.083 -14.445   4.740
    5    H2*    G   1           H2*        G   1   7.487 -15.160   2.886
    6   2HO*    G   1          2HO*        G   1   9.520 -14.548   3.926
    7    H1*    G   1           H1*        G   1   7.970 -17.590   3.955
    8    H8     G   1           H8         G   1   4.564 -16.908   5.291
    9    H1     G   1           H1         G   1   4.542 -18.141  -1.005
   10   1H2     G   1          1H2         G   1   6.614 -18.036  -1.801
   11   2H2     G   1          2H2         G   1   7.986 -17.708  -0.762
   12    H5T    G   1           H5T        G   1   4.458 -14.913   7.637
   13   1H5*    G   2          1H5*        G   2   9.618 -13.127   2.954
   14   2H5*    G   2          2H5*        G   2   9.500 -11.419   2.495
   15    H4*    G   2           H4*        G   2  10.180 -12.779   0.564
   16    H3*    G   2           H3*        G   2   7.375 -11.635   0.448
   17    H2*    G   2           H2*        G   2   7.382 -12.377  -1.894
   18   2HO*    G   2          2HO*        G   2   9.274 -13.280  -2.768
   19    H1*    G   2           H1*        G   2   8.315 -14.843  -1.278
   20    H8     G   2           H8         G   2   6.230 -14.020   1.721
   21    H1     G   2           H1         G   2   2.751 -15.521  -3.462
   22   1H2     G   2          1H2         G   2   4.049 -15.537  -5.262
   23   2H2     G   2          2H2         G   2   5.761 -15.177  -5.168
   24   1H5*    C   3          1H5*        C   3   9.362 -10.447  -2.921
   25   2H5*    C   3          2H5*        C   3   9.059  -8.764  -3.403
   26    H4*    C   3           H4*        C   3   8.453 -10.321  -5.220
   27    H3*    C   3           H3*        C   3   6.095  -8.962  -3.870
   28    H2*    C   3           H2*        C   3   4.786  -9.886  -5.711
   29   2HO*    C   3          2HO*        C   3   5.837 -11.007  -7.387
   30    H1*    C   3           H1*        C   3   5.894 -12.380  -5.423
   31   1H4     C   3          1H4         C   3   0.782 -12.303  -1.667
   32   2H4     C   3          2H4         C   3   1.774 -11.804  -0.310
   33    H5     C   3           H5         C   3   4.137 -11.209  -0.550
   34    H6     C   3           H6         C   3   5.964 -11.015  -2.121
   35   1H5*    C   4          1H5*        C   4   5.871  -8.108  -7.873
   36   2H5*    C   4          2H5*        C   4   5.339  -6.447  -8.219
   37    H4*    C   4           H4*        C   4   3.800  -8.086  -9.234
   38    H3*    C   4           H3*        C   4   2.643  -6.597  -6.852
   39    H2*    C   4           H2*        C   4   0.530  -7.587  -7.582
   40   2HO*    C   4          2HO*        C   4   0.947  -7.459  -9.870
   41    H1*    C   4           H1*        C   4   1.624 -10.069  -7.829
   42   1H4     C   4          1H4         C   4  -0.667  -9.632  -1.939
   43   2H4     C   4          2H4         C   4   0.823  -8.904  -1.367
   44    H5     C   4           H5         C   4   2.676  -8.333  -2.873
   45    H6     C   4           H6         C   4   3.406  -8.328  -5.180
   46   1H5*    A   5          1H5*        A   5   0.126  -5.966 -10.270
   47   2H5*    A   5          2H5*        A   5  -0.692  -4.393 -10.200
   48    H4*    A   5           H4*        A   5  -2.271  -6.338 -10.321
   49    H3*    A   5           H3*        A   5  -2.351  -4.663  -7.794
   50    H2*    A   5           H2*        A   5  -4.349  -5.975  -7.253
   51   2HO*    A   5          2HO*        A   5  -5.063  -6.147  -9.515
   52    H1*    A   5           H1*        A   5  -3.119  -8.336  -7.761
   53    H8     A   5           H8         A   5  -0.319  -6.251  -6.397
   54   1H6     A   5          1H6         A   5  -2.921  -7.240  -0.817
   55   2H6     A   5          2H6         A   5  -1.476  -6.651  -1.619
   56    H2     A   5           H2         A   5  -5.801  -8.462  -3.933
   57   1H5*    U   6          1H5*        U   6  -6.234  -5.152  -8.538
   58   2H5*    U   6          2H5*        U   6  -7.077  -3.592  -8.602
   59    H4*    U   6           H4*        U   6  -8.159  -5.081  -6.977
   60    H3*    U   6           H3*        U   6  -6.656  -2.746  -5.763
   61    H2*    U   6           H2*        U   6  -7.789  -3.371  -3.693
   62   2HO*    U   6          2HO*        U   6  -9.802  -3.989  -4.749
   63    H1*    U   6           H1*        U   6  -7.211  -6.031  -3.994
   64    H3     U   6           H3         U   6  -4.418  -4.444  -0.743
   65    H5     U   6           H5         U   6  -2.580  -3.376  -4.367
   66    H6     U   6           H6         U   6  -4.574  -4.087  -5.524
   67   1H5*    C   7          1H5*        C   7 -10.765  -2.727  -4.403
   68   2H5*    C   7          2H5*        C   7 -11.371  -1.060  -4.446
   69    H4*    C   7           H4*        C   7 -11.765  -2.063  -2.233
   70    H3*    C   7           H3*        C   7  -9.660   0.117  -2.334
   71    H2*    C   7           H2*        C   7  -9.715   0.033   0.086
   72   2HO*    C   7          2HO*        C   7 -11.993  -0.217   0.318
   73    H1*    C   7           H1*        C   7  -9.819  -2.723   0.187
   74   1H4     C   7          1H4         C   7  -3.691  -1.391   1.013
   75   2H4     C   7          2H4         C   7  -3.470  -1.099  -0.703
   76    H5     C   7           H5         C   7  -5.323  -1.137  -2.298
   77    H6     C   7           H6         C   7  -7.709  -1.473  -2.540
   78   1H5*    U   8          1H5*        U   8 -12.979   1.065   0.465
   79   2H5*    U   8          2H5*        U   8 -13.267   2.817   0.465
   80    H4*    U   8           H4*        U   8 -12.868   1.954   2.762
   81    H3*    U   8           H3*        U   8 -10.740   3.781   1.610
   82    H2*    U   8           H2*        U   8  -9.742   3.752   3.805
   83   2HO*    U   8          2HO*        U   8 -11.713   3.862   5.008
   84    H1*    U   8           H1*        U   8 -10.069   1.055   4.169
   85    H3     U   8           H3         U   8  -5.633   1.300   3.577
   86    H5     U   8           H5         U   8  -7.150   2.282  -0.210
   87    H6     U   8           H6         U   8  -9.370   2.251   0.733
   88   1H5*    U   9          1H5*        U   9 -10.267   7.721   4.795
   89   2H5*    U   9          2H5*        U   9  -9.306   6.873   3.571
   90    H4*    U   9           H4*        U   9  -9.506   6.046   6.505
   91    H3*    U   9           H3*        U   9  -7.491   7.654   4.926
   92    H2*    U   9           H2*        U   9  -5.757   6.711   6.353
   93   2HO*    U   9          2HO*        U   9  -7.085   6.692   8.295
   94    H1*    U   9           H1*        U   9  -6.623   4.169   6.072
   95    H3     U   9           H3         U   9  -3.041   4.782   3.229
   96    H5     U   9           H5         U   9  -6.472   5.740   1.006
   97    H6     U   9           H6         U   9  -7.748   5.679   3.050
   98   1H5*    C  10          1H5*        C  10  -6.456   8.072   9.034
   99   2H5*    C  10          2H5*        C  10  -6.115   9.774   9.405
  100    H4*    C  10           H4*        C  10  -4.227   8.342  10.075
  101    H3*    C  10           H3*        C  10  -3.709  10.153   7.699
  102    H2*    C  10           H2*        C  10  -1.379   9.496   7.972
  103   2HO*    C  10          2HO*        C  10  -0.764   8.195   9.721
  104    H1*    C  10           H1*        C  10  -1.967   6.856   8.195
  105   1H4     C  10          1H4         C  10  -0.988   7.876   2.021
  106   2H4     C  10          2H4         C  10  -2.692   8.215   1.773
  107    H5     C  10           H5         C  10  -4.286   8.363   3.634
  108    H6     C  10           H6         C  10  -4.523   8.199   6.031
  109   1H5*    U  11          1H5*        U  11  -0.847  10.671  10.816
  110   2H5*    U  11          2H5*        U  11  -0.329  12.353  11.035
  111    H4*    U  11           H4*        U  11   1.604  10.846  10.742
  112    H3*    U  11           H3*        U  11   1.114  12.793   8.464
  113    H2*    U  11           H2*        U  11   3.299  12.075   7.666
  114   2HO*    U  11          2HO*        U  11   4.227  11.868   9.826
  115    H1*    U  11           H1*        U  11   2.762   9.434   7.996
  116    H3     U  11           H3         U  11   2.464  10.252   3.517
  117    H5     U  11           H5         U  11  -1.320  11.225   5.067
  118    H6     U  11           H6         U  11  -0.399  11.026   7.287
  119   1H5*    C  12          1H5*        C  12   5.112  13.320   9.674
  120   2H5*    C  12          2H5*        C  12   5.514  15.050   9.722
  121    H4*    C  12           H4*        C  12   7.052  13.848   8.206
  122    H3*    C  12           H3*        C  12   5.051  15.714   6.893
  123    H2*    C  12           H2*        C  12   6.248  15.325   4.841
  124   2HO*    C  12          2HO*        C  12   8.372  15.360   5.900
  125    H1*    C  12           H1*        C  12   6.554  12.614   5.266
  126   1H4     C  12          1H4         C  12   1.589  13.499   1.420
  127   2H4     C  12          2H4         C  12   0.514  13.750   2.785
  128    H5     C  12           H5         C  12   1.330  13.820   5.102
  129    H6     C  12           H6         C  12   3.300  13.691   6.498
  130   1H5*    U  13          1H5*        U  13   8.023  16.965   4.814
  131   2H5*    U  13          2H5*        U  13   8.114  18.737   4.841
  132    H4*    U  13           H4*        U  13   7.697  17.964   2.558
  133    H3*    U  13           H3*        U  13   5.302  19.285   3.869
  134    H2*    U  13           H2*        U  13   4.352  19.273   1.640
  135   2HO*    U  13          2HO*        U  13   5.648  18.446  -0.101
  136    H1*    U  13           H1*        U  13   5.055  16.665   1.172
  137    H3     U  13           H3         U  13   0.539  16.787   1.959
  138    H5     U  13           H5         U  13   2.291  16.935   5.773
  139    H6     U  13           H6         U  13   4.454  17.130   4.708
  140   1H5*    U  14          1H5*        U  14   7.300  23.819   1.049
  141   2H5*    U  14          2H5*        U  14   5.627  23.759   0.467
  142    H4*    U  14           H4*        U  14   7.052  24.188  -1.410
  143    H3*    U  14           H3*        U  14   5.268  22.125  -1.491
  144    H2*    U  14           H2*        U  14   6.808  20.459  -0.777
  145   2HO*    U  14          2HO*        U  14   5.942  19.778  -2.799
  146    H1*    U  14           H1*        U  14   8.852  21.588  -2.679
  147    H3     U  14           H3         U  14  12.307  19.081  -1.253
  148    H5     U  14           H5         U  14   9.560  18.768   1.913
  149    H6     U  14           H6         U  14   8.118  20.316   0.733
  150   1H5*    C  15          1H5*        C  15   5.127  20.909  -4.693
  151   2H5*    C  15          2H5*        C  15   4.378  21.870  -5.981
  152    H4*    C  15           H4*        C  15   3.345  19.706  -5.857
  153    H3*    C  15           H3*        C  15   1.811  21.977  -5.958
  154    H2*    C  15           H2*        C  15   1.719  22.183  -3.542
  155   2HO*    C  15          2HO*        C  15  -0.429  22.274  -4.417
  156    H1*    C  15           H1*        C  15   0.981  19.242  -3.499
  157   1H4     C  15          1H4         C  15   1.396  20.244   2.780
  158   2H4     C  15          2H4         C  15   2.881  21.161   2.576
  159    H5     C  15           H5         C  15   3.805  21.721   0.402
  160    H6     C  15           H6         C  15   3.543  21.409  -1.999
  161   1H5*    G  16          1H5*        G  16   0.123  16.441  -7.578
  162   2H5*    G  16          2H5*        G  16   0.611  17.350  -6.140
  163    H4*    G  16           H4*        G  16   2.392  17.313  -8.589
  164    H3*    G  16           H3*        G  16   2.325  15.211  -6.396
  165    H2*    G  16           H2*        G  16   4.663  14.976  -6.965
  166   2HO*    G  16          2HO*        G  16   4.254  15.121  -9.300
  167    H1*    G  16           H1*        G  16   4.959  17.738  -7.419
  168    H8     G  16           H8         G  16   7.063  16.963  -6.137
  169    H1     G  16           H1         G  16   3.731  16.410  -0.698
  170   1H2     G  16          1H2         G  16   1.617  16.578  -1.078
  171   2H2     G  16          2H2         G  16   0.943  16.746  -2.691
  172   1H5*    G  17          1H5*        G  17   4.868  13.442  -8.675
  173   2H5*    G  17          2H5*        G  17   4.607  11.691  -8.737
  174    H4*    G  17           H4*        G  17   6.758  12.228  -7.663
  175    H3*    G  17           H3*        G  17   4.645  11.070  -5.837
  176    H2*    G  17           H2*        G  17   6.440  10.941  -4.144
  177   2HO*    G  17          2HO*        G  17   8.154  10.467  -5.685
  178    H1*    G  17           H1*        G  17   7.148  13.526  -4.499
  179    H8     G  17           H8         G  17   3.511  13.591  -5.377
  180    H1     G  17           H1         G  17   4.528  13.065   0.931
  181   1H2     G  17          1H2         G  17   6.669  12.679   1.322
  182   2H2     G  17          2H2         G  17   7.838  12.513   0.026
  183   1H5*    A  18          1H5*        A  18   8.101   8.826  -5.440
  184   2H5*    A  18          2H5*        A  18   7.808   7.079  -5.308
  185    H4*    A  18           H4*        A  18   9.060   7.935  -3.352
  186    H3*    A  18           H3*        A  18   6.214   7.035  -2.829
  187    H2*    A  18           H2*        A  18   6.822   7.226  -0.467
  188   2HO*    A  18          2HO*        A  18   8.939   7.806   0.108
  189    H1*    A  18           H1*        A  18   7.806   9.722  -0.777
  190    H8     A  18           H8         A  18   5.104   9.607  -3.360
  191   1H6     A  18          1H6         A  18   1.082  10.417   1.304
  192   2H6     A  18          2H6         A  18   1.258  10.365  -0.439
  193    H2     A  18           H2         A  18   5.078   9.600   3.051
  194   1H5*    G  19          1H5*        G  19   9.012   5.133  -0.398
  195   2H5*    G  19          2H5*        G  19   8.654   3.439  -0.021
  196    H4*    G  19           H4*        G  19   9.011   4.825   2.009
  197    H3*    G  19           H3*        G  19   6.225   3.660   1.655
  198    H2*    G  19           H2*        G  19   5.820   4.435   3.900
  199   2HO*    G  19          2HO*        G  19   7.932   3.999   4.754
  200    H1*    G  19           H1*        G  19   6.763   6.940   3.392
  201    H8     G  19           H8         G  19   5.435   5.956   0.052
  202    H1     G  19           H1         G  19   0.779   7.250   4.264
  203   1H2     G  19          1H2         G  19   1.600   7.268   6.318
  204   2H2     G  19          2H2         G  19   3.311   7.044   6.635
  205   1H5*    G  20          1H5*        G  20   5.541   0.197   5.248
  206   2H5*    G  20          2H5*        G  20   4.564   1.437   4.433
  207    H4*    G  20           H4*        G  20   5.964   1.774   7.125
  208    H3*    G  20           H3*        G  20   3.228   0.937   6.238
  209    H2*    G  20           H2*        G  20   2.132   2.358   7.826
  210   2HO*    G  20          2HO*        G  20   3.704   1.984   9.539
  211    H1*    G  20           H1*        G  20   3.545   4.568   7.287
  212    H8     G  20           H8         G  20   3.932   3.407   3.868
  213    H1     G  20           H1         G  20  -2.264   4.462   5.233
  214   1H2     G  20          1H2         G  20  -2.542   4.640   7.416
  215   2H2     G  20          2H2         G  20  -1.193   4.514   8.529
  216   1H5*    A  21          1H5*        A  21   2.417   0.630  10.143
  217   2H5*    A  21          2H5*        A  21   1.927  -1.035  10.535
  218    H4*    A  21           H4*        A  21   0.147   0.499  11.194
  219    H3*    A  21           H3*        A  21  -0.458  -1.142   8.716
  220    H2*    A  21           H2*        A  21  -2.726  -0.270   8.915
  221   2HO*    A  21          2HO*        A  21  -2.672  -0.240  11.304
  222    H1*    A  21           H1*        A  21  -1.895   2.287   9.152
  223    H8     A  21           H8         A  21   0.795   0.929   6.952
  224   1H6     A  21          1H6         A  21  -3.361   1.175   2.329
  225   2H6     A  21          2H6         A  21  -1.667   0.924   2.709
  226    H2     A  21           H2         A  21  -5.512   1.753   6.157
  227   1H5*    U  22          1H5*        U  22  -3.795  -1.501  10.818
  228   2H5*    U  22          2H5*        U  22  -4.245  -3.196  11.065
  229    H4*    U  22           H4*        U  22  -6.112  -1.922  10.088
  230    H3*    U  22           H3*        U  22  -4.829  -3.948   8.224
  231    H2*    U  22           H2*        U  22  -6.770  -3.561   6.831
  232   2HO*    U  22          2HO*        U  22  -8.319  -3.427   8.544
  233    H1*    U  22           H1*        U  22  -6.664  -0.816   7.170
  234    H3     U  22           H3         U  22  -5.512  -1.812   2.860
  235    H5     U  22           H5         U  22  -1.976  -2.283   5.085
  236    H6     U  22           H6         U  22  -3.277  -2.045   7.108
  237   1H5*    U  23          1H5*        U  23  -8.028  -7.704   7.426
  238   2H5*    U  23          2H5*        U  23  -6.994  -6.687   6.408
  239    H4*    U  23           H4*        U  23 -10.015  -6.360   6.732
  240    H3*    U  23           H3*        U  23  -8.237  -7.767   4.743
  241    H2*    U  23           H2*        U  23  -9.712  -7.109   2.958
  242   2HO*    U  23          2HO*        U  23 -11.681  -7.379   4.209
  243    H1*    U  23           H1*        U  23  -9.896  -4.513   3.724
  244    H3     U  23           H3         U  23  -6.890  -5.155   0.222
  245    H5     U  23           H5         U  23  -4.648  -4.935   3.775
  246    H6     U  23           H6         U  23  -6.699  -5.100   5.020
  247   1H5*    U  24          1H5*        U  24 -11.619  -9.235   3.282
  248   2H5*    U  24          2H5*        U  24 -11.548 -11.007   3.166
  249    H4*    U  24           H4*        U  24 -11.874 -10.060   0.939
  250    H3*    U  24           H3*        U  24  -9.056 -11.099   1.383
  251    H2*    U  24           H2*        U  24  -8.826 -10.799  -1.034
  252   2HO*    U  24          2HO*        U  24 -10.997 -11.407  -1.604
  253    H1*    U  24           H1*        U  24  -9.864  -8.290  -0.954
  254    H3     U  24           H3         U  24  -5.377  -7.886  -1.491
  255    H5     U  24           H5         U  24  -5.863  -8.550   2.624
  256    H6     U  24           H6         U  24  -8.211  -8.963   2.220
  257   1H5*    G  25          1H5*        G  25 -10.959 -13.079  -2.002
  258   2H5*    G  25          2H5*        G  25 -10.434 -14.769  -2.125
  259    H4*    G  25           H4*        G  25 -10.156 -13.548  -4.258
  260    H3*    G  25           H3*        G  25  -7.579 -14.412  -2.907
  261    H2*    G  25           H2*        G  25  -6.548 -13.806  -5.038
  262   2HO*    G  25          2HO*        G  25  -8.321 -14.496  -6.396
  263    H1*    G  25           H1*        G  25  -7.766 -11.392  -5.109
  264    H8     G  25           H8         G  25  -7.328 -12.024  -1.440
  265    H1     G  25           H1         G  25  -1.843 -10.489  -4.397
  266   1H2     G  25          1H2         G  25  -2.116 -10.612  -6.598
  267   2H2     G  25          2H2         G  25  -3.660 -11.035  -7.315
  268   1H5*    G  26          1H5*        G  26  -7.800 -16.050  -6.811
  269   2H5*    G  26          2H5*        G  26  -7.146 -17.695  -6.909
  270    H4*    G  26           H4*        G  26  -6.056 -16.170  -8.532
  271    H3*    G  26           H3*        G  26  -4.317 -17.223  -6.298
  272    H2*    G  26           H2*        G  26  -2.458 -16.210  -7.589
  273   2HO*    G  26          2HO*        G  26  -3.342 -16.694  -9.689
  274    H1*    G  26           H1*        G  26  -3.711 -13.856  -7.859
  275    H8     G  26           H8         G  26  -5.044 -14.980  -4.546
  276    H1     G  26           H1         G  26   1.001 -12.843  -4.286
  277   1H2     G  26          1H2         G  26   1.855 -12.736  -6.330
  278   2H2     G  26          2H2         G  26   0.908 -13.147  -7.747
  279   1H5*    C  27          1H5*        C  27  -2.527 -18.340  -9.936
  280   2H5*    C  27          2H5*        C  27  -1.855 -19.986  -9.896
  281    H4*    C  27           H4*        C  27  -0.093 -18.343 -10.419
  282    H3*    C  27           H3*        C  27   0.097 -19.601  -7.665
  283    H2*    C  27           H2*        C  27   2.268 -18.494  -7.522
  284   2HO*    C  27          2HO*        C  27   2.823 -18.779  -9.781
  285    H1*    C  27           H1*        C  27   1.287 -16.102  -8.365
  286   1H4     C  27          1H4         C  27   0.592 -16.059  -2.058
  287   2H4     C  27          2H4         C  27  -1.066 -16.599  -2.239
  288    H5     C  27           H5         C  27  -2.016 -17.256  -4.407
  289    H6     C  27           H6         C  27  -1.522 -17.576  -6.738
  290   1H5*    C  28          1H5*        C  28   3.810 -20.276  -9.486
  291   2H5*    C  28          2H5*        C  28   4.448 -21.896  -9.142
  292    H4*    C  28           H4*        C  28   6.033 -20.170  -8.407
  293    H3*    C  28           H3*        C  28   4.652 -21.677  -6.163
  294    H2*    C  28           H2*        C  28   6.235 -20.583  -4.697
  295   2HO*    C  28          2HO*        C  28   8.049 -20.701  -6.178
  296    H1*    C  28           H1*        C  28   5.866 -18.121  -5.821
  297   1H4     C  28          1H4         C  28   1.818 -18.756  -0.957
  298   2H4     C  28          2H4         C  28   0.587 -19.399  -2.028
  299    H5     C  28           H5         C  28   1.018 -19.861  -4.403
  300    H6     C  28           H6         C  28   2.701 -19.815  -6.139
  301    H3T    C  28           H3T        C  28   6.643 -22.826  -6.239
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   6.257 -15.277   7.708
    2   2H5*    G   1          2H5*        G   1   6.402 -13.548   7.348
    3    H4*    G   1           H4*        G   1   8.130 -14.740   6.143
    4    H3*    G   1           H3*        G   1   5.882 -13.770   4.349
    5    H2*    G   1           H2*        G   1   7.305 -14.466   2.502
    6   2HO*    G   1          2HO*        G   1   9.328 -13.851   3.553
    7    H1*    G   1           H1*        G   1   7.804 -16.901   3.559
    8    H8     G   1           H8         G   1   4.379 -16.246   4.864
    9    H1     G   1           H1         G   1   4.429 -17.547  -1.420
   10   1H2     G   1          1H2         G   1   6.504 -17.418  -2.199
   11   2H2     G   1          2H2         G   1   7.862 -17.051  -1.154
   12    H5T    G   1           H5T        G   1   4.235 -14.278   7.224
   13   1H5*    G   2          1H5*        G   2   9.468 -12.406   2.656
   14   2H5*    G   2          2H5*        G   2   9.351 -10.701   2.182
   15    H4*    G   2           H4*        G   2  10.097 -12.075   0.286
   16    H3*    G   2           H3*        G   2   7.308 -10.910   0.078
   17    H2*    G   2           H2*        G   2   7.358 -11.691  -2.254
   18   2HO*    G   2          2HO*        G   2   9.632 -11.210  -2.581
   19    H1*    G   2           H1*        G   2   8.276 -14.149  -1.600
   20    H8     G   2           H8         G   2   6.128 -13.288   1.349
   21    H1     G   2           H1         G   2   2.757 -14.973  -3.849
   22   1H2     G   2          1H2         G   2   4.078 -14.989  -5.633
   23   2H2     G   2          2H2         G   2   5.780 -14.586  -5.526
   24   1H5*    C   3          1H5*        C   3   9.381  -9.625  -3.299
   25   2H5*    C   3          2H5*        C   3   9.013  -7.943  -3.732
   26    H4*    C   3           H4*        C   3   8.450  -9.489  -5.580
   27    H3*    C   3           H3*        C   3   6.076  -8.199  -4.193
   28    H2*    C   3           H2*        C   3   4.754  -9.150  -6.018
   29   2HO*    C   3          2HO*        C   3   6.361  -8.819  -7.676
   30    H1*    C   3           H1*        C   3   5.932 -11.612  -5.790
   31   1H4     C   3          1H4         C   3   0.894 -11.789  -1.942
   32   2H4     C   3          2H4         C   3   1.886 -11.256  -0.598
   33    H5     C   3           H5         C   3   4.216 -10.555  -0.873
   34    H6     C   3           H6         C   3   6.007 -10.276  -2.468
   35   1H5*    C   4          1H5*        C   4   5.745  -7.186  -8.227
   36   2H5*    C   4          2H5*        C   4   5.137  -5.533  -8.454
   37    H4*    C   4           H4*        C   4   3.627  -7.197  -9.495
   38    H3*    C   4           H3*        C   4   2.500  -5.837  -7.025
   39    H2*    C   4           H2*        C   4   0.399  -6.884  -7.720
   40   2HO*    C   4          2HO*        C   4   0.741  -6.662 -10.014
   41    H1*    C   4           H1*        C   4   1.572  -9.315  -8.082
   42   1H4     C   4          1H4         C   4  -0.503  -9.123  -2.099
   43   2H4     C   4          2H4         C   4   0.971  -8.337  -1.563
   44    H5     C   4           H5         C   4   2.740  -7.651  -3.121
   45    H6     C   4           H6         C   4   3.379  -7.560  -5.452
   46   1H5*    A   5          1H5*        A   5  -0.188  -5.218 -10.325
   47   2H5*    A   5          2H5*        A   5  -1.059  -3.676 -10.169
   48    H4*    A   5           H4*        A   5  -2.575  -5.675 -10.292
   49    H3*    A   5           H3*        A   5  -2.603  -4.082  -7.713
   50    H2*    A   5           H2*        A   5  -4.520  -5.488  -7.119
   51   2HO*    A   5          2HO*        A   5  -5.328  -5.622  -9.359
   52    H1*    A   5           H1*        A   5  -3.226  -7.783  -7.750
   53    H8     A   5           H8         A   5  -0.448  -5.606  -6.487
   54   1H6     A   5          1H6         A   5  -2.658  -6.858  -0.799
   55   2H6     A   5          2H6         A   5  -1.295  -6.184  -1.677
   56    H2     A   5           H2         A   5  -5.686  -8.103  -3.773
   57   1H5*    U   6          1H5*        U   6  -6.519  -4.721  -8.322
   58   2H5*    U   6          2H5*        U   6  -7.420  -3.194  -8.291
   59    H4*    U   6           H4*        U   6  -8.379  -4.786  -6.688
   60    H3*    U   6           H3*        U   6  -6.926  -2.438  -5.440
   61    H2*    U   6           H2*        U   6  -7.951  -3.177  -3.359
   62   2HO*    U   6          2HO*        U   6  -9.438  -4.904  -3.382
   63    H1*    U   6           H1*        U   6  -7.285  -5.802  -3.778
   64    H3     U   6           H3         U   6  -4.437  -4.235  -0.571
   65    H5     U   6           H5         U   6  -2.791  -2.925  -4.211
   66    H6     U   6           H6         U   6  -4.792  -3.685  -5.324
   67   1H5*    C   7          1H5*        C   7 -10.923  -2.695  -3.936
   68   2H5*    C   7          2H5*        C   7 -11.658  -1.081  -3.899
   69    H4*    C   7           H4*        C   7 -11.909  -2.152  -1.708
   70    H3*    C   7           H3*        C   7  -9.896   0.115  -1.795
   71    H2*    C   7           H2*        C   7  -9.873  -0.055   0.624
   72   2HO*    C   7          2HO*        C   7 -12.144  -0.445   0.886
   73    H1*    C   7           H1*        C   7  -9.790  -2.805   0.615
   74   1H4     C   7          1H4         C   7  -3.731  -1.076   1.100
   75   2H4     C   7          2H4         C   7  -3.634  -0.717  -0.614
   76    H5     C   7           H5         C   7  -5.586  -0.831  -2.094
   77    H6     C   7           H6         C   7  -7.955  -1.318  -2.194
   78   1H5*    U   8          1H5*        U   8 -13.115   0.823   1.219
   79   2H5*    U   8          2H5*        U   8 -13.520   2.550   1.166
   80    H4*    U   8           H4*        U   8 -13.070   1.848   3.485
   81    H3*    U   8           H3*        U   8 -10.992   3.663   2.227
   82    H2*    U   8           H2*        U   8 -10.008   3.802   4.423
   83   2HO*    U   8          2HO*        U   8 -11.993   3.952   5.601
   84    H1*    U   8           H1*        U   8 -10.299   1.129   4.978
   85    H3     U   8           H3         U   8  -5.847   1.412   4.467
   86    H5     U   8           H5         U   8  -7.297   2.167   0.599
   87    H6     U   8           H6         U   8  -9.543   2.124   1.492
   88   1H5*    U   9          1H5*        U   9 -10.624   7.868   4.964
   89   2H5*    U   9          2H5*        U   9  -9.646   6.880   3.863
   90    H4*    U   9           H4*        U   9  -9.870   6.415   6.872
   91    H3*    U   9           H3*        U   9  -7.827   7.826   5.142
   92    H2*    U   9           H2*        U   9  -6.142   7.084   6.750
   93   2HO*    U   9          2HO*        U   9  -7.528   7.286   8.635
   94    H1*    U   9           H1*        U   9  -6.999   4.519   6.730
   95    H3     U   9           H3         U   9  -3.302   4.832   4.003
   96    H5     U   9           H5         U   9  -6.617   5.568   1.532
   97    H6     U   9           H6         U   9  -7.996   5.687   3.506
   98   1H5*    C  10          1H5*        C  10  -6.897   8.809   9.182
   99   2H5*    C  10          2H5*        C  10  -6.531  10.539   9.313
  100    H4*    C  10           H4*        C  10  -4.693   9.197  10.238
  101    H3*    C  10           H3*        C  10  -4.038  10.601   7.627
  102    H2*    C  10           H2*        C  10  -1.745   9.945   8.113
  103   2HO*    C  10          2HO*        C  10  -1.251   8.904  10.063
  104    H1*    C  10           H1*        C  10  -2.423   7.382   8.682
  105   1H4     C  10          1H4         C  10  -1.212   7.546   2.463
  106   2H4     C  10          2H4         C  10  -2.890   7.908   2.109
  107    H5     C  10           H5         C  10  -4.540   8.349   3.875
  108    H6     C  10           H6         C  10  -4.864   8.501   6.265
  109   1H5*    U  11          1H5*        U  11  -1.265  11.539  10.711
  110   2H5*    U  11          2H5*        U  11  -0.732  13.230  10.688
  111    H4*    U  11           H4*        U  11   1.192  11.695  10.701
  112    H3*    U  11           H3*        U  11   0.800  13.233   8.111
  113    H2*    U  11           H2*        U  11   3.011  12.401   7.538
  114   2HO*    U  11          2HO*        U  11   3.851  12.549   9.742
  115    H1*    U  11           H1*        U  11   2.440   9.848   8.276
  116    H3     U  11           H3         U  11   2.332   9.950   3.710
  117    H5     U  11           H5         U  11  -1.504  11.159   4.934
  118    H6     U  11           H6         U  11  -0.676  11.305   7.192
  119   1H5*    C  12          1H5*        C  12   4.733  13.972   9.319
  120   2H5*    C  12          2H5*        C  12   5.122  15.693   9.110
  121    H4*    C  12           H4*        C  12   6.709  14.296   7.832
  122    H3*    C  12           H3*        C  12   4.710  15.878   6.187
  123    H2*    C  12           H2*        C  12   5.983  15.202   4.263
  124   2HO*    C  12          2HO*        C  12   7.988  14.124   4.527
  125    H1*    C  12           H1*        C  12   6.337  12.600   5.143
  126   1H4     C  12          1H4         C  12   1.579  12.776   0.956
  127   2H4     C  12          2H4         C  12   0.425  13.188   2.212
  128    H5     C  12           H5         C  12   1.109  13.622   4.536
  129    H6     C  12           H6         C  12   3.003  13.758   6.035
  130   1H5*    U  13          1H5*        U  13   7.703  16.812   4.054
  131   2H5*    U  13          2H5*        U  13   7.831  18.567   3.817
  132    H4*    U  13           H4*        U  13   7.518  17.481   1.652
  133    H3*    U  13           H3*        U  13   5.082  18.987   2.653
  134    H2*    U  13           H2*        U  13   4.153  18.619   0.465
  135   2HO*    U  13          2HO*        U  13   6.081  18.991  -0.727
  136    H1*    U  13           H1*        U  13   4.953  15.993   0.330
  137    H3     U  13           H3         U  13   0.410  16.054   0.898
  138    H5     U  13           H5         U  13   1.964  16.792   4.731
  139    H6     U  13           H6         U  13   4.172  16.909   3.754
  140   1H5*    U  14          1H5*        U  14   7.362  22.893  -0.857
  141   2H5*    U  14          2H5*        U  14   5.773  22.706  -1.616
  142    H4*    U  14           H4*        U  14   7.440  22.792  -3.342
  143    H3*    U  14           H3*        U  14   5.619  20.740  -3.256
  144    H2*    U  14           H2*        U  14   7.070  19.204  -2.157
  145   2HO*    U  14          2HO*        U  14   6.411  18.220  -4.130
  146    H1*    U  14           H1*        U  14   9.298  20.090  -3.985
  147    H3     U  14           H3         U  14  12.504  17.671  -1.941
  148    H5     U  14           H5         U  14   9.532  17.959   1.016
  149    H6     U  14           H6         U  14   8.251  19.354  -0.494
  150   1H5*    C  15          1H5*        C  15   5.739  19.057  -6.166
  151   2H5*    C  15          2H5*        C  15   5.161  19.785  -7.676
  152    H4*    C  15           H4*        C  15   4.058  17.683  -7.288
  153    H3*    C  15           H3*        C  15   2.612  19.910  -7.965
  154    H2*    C  15           H2*        C  15   2.260  20.554  -5.646
  155   2HO*    C  15          2HO*        C  15   0.020  19.024  -6.535
  156    H1*    C  15           H1*        C  15   1.441  17.670  -5.162
  157   1H4     C  15          1H4         C  15   1.198  19.794   0.840
  158   2H4     C  15          2H4         C  15   2.722  20.648   0.644
  159    H5     C  15           H5         C  15   3.895  20.796  -1.480
  160    H6     C  15           H6         C  15   3.889  20.050  -3.798
  161   1H5*    G  16          1H5*        G  16   0.912  14.183  -8.670
  162   2H5*    G  16          2H5*        G  16   1.243  15.358  -7.385
  163    H4*    G  16           H4*        G  16   3.329  14.844  -9.512
  164    H3*    G  16           H3*        G  16   2.893  13.151  -7.027
  165    H2*    G  16           H2*        G  16   5.273  12.795  -7.218
  166   2HO*    G  16          2HO*        G  16   5.164  12.521  -9.584
  167    H1*    G  16           H1*        G  16   5.710  15.426  -8.151
  168    H8     G  16           H8         G  16   7.652  14.869  -6.551
  169    H1     G  16           H1         G  16   3.806  15.363  -1.454
  170   1H2     G  16          1H2         G  16   1.738  15.493  -2.070
  171   2H2     G  16          2H2         G  16   1.236  15.391  -3.750
  172   1H5*    G  17          1H5*        G  17   5.636  10.958  -8.746
  173   2H5*    G  17          2H5*        G  17   5.312   9.228  -8.535
  174    H4*    G  17           H4*        G  17   7.385   9.871  -7.384
  175    H3*    G  17           H3*        G  17   5.081   9.140  -5.568
  176    H2*    G  17           H2*        G  17   6.745   9.230  -3.744
  177   2HO*    G  17          2HO*        G  17   8.542   8.431  -5.024
  178    H1*    G  17           H1*        G  17   7.604  11.686  -4.476
  179    H8     G  17           H8         G  17   4.037  11.703  -5.634
  180    H1     G  17           H1         G  17   4.595  12.307   0.725
  181   1H2     G  17          1H2         G  17   6.686  11.936   1.337
  182   2H2     G  17          2H2         G  17   7.931  11.496   0.183
  183   1H5*    A  18          1H5*        A  18   8.377   6.810  -4.565
  184   2H5*    A  18          2H5*        A  18   7.961   5.133  -4.155
  185    H4*    A  18           H4*        A  18   9.165   6.252  -2.300
  186    H3*    A  18           H3*        A  18   6.245   5.606  -1.799
  187    H2*    A  18           H2*        A  18   6.752   6.174   0.526
  188   2HO*    A  18          2HO*        A  18   8.873   6.721   1.114
  189    H1*    A  18           H1*        A  18   7.912   8.522  -0.160
  190    H8     A  18           H8         A  18   5.317   8.105  -2.819
  191   1H6     A  18          1H6         A  18   1.151   9.894   1.429
  192   2H6     A  18          2H6         A  18   1.403   9.551  -0.272
  193    H2     A  18           H2         A  18   5.013   9.175   3.495
  194   1H5*    G  19          1H5*        G  19   8.775   3.915   1.109
  195   2H5*    G  19          2H5*        G  19   8.231   2.341   1.722
  196    H4*    G  19           H4*        G  19   8.589   4.009   3.534
  197    H3*    G  19           H3*        G  19   5.718   3.104   3.128
  198    H2*    G  19           H2*        G  19   5.294   4.278   5.223
  199   2HO*    G  19          2HO*        G  19   7.374   3.796   6.207
  200    H1*    G  19           H1*        G  19   6.474   6.547   4.323
  201    H8     G  19           H8         G  19   5.248   5.112   1.117
  202    H1     G  19           H1         G  19   0.462   7.224   4.822
  203   1H2     G  19          1H2         G  19   1.180   7.482   6.908
  204   2H2     G  19          2H2         G  19   2.860   7.227   7.342
  205   1H5*    G  20          1H5*        G  20   6.702   2.447   7.180
  206   2H5*    G  20          2H5*        G  20   6.197   0.817   7.667
  207    H4*    G  20           H4*        G  20   5.315   2.509   9.228
  208    H3*    G  20           H3*        G  20   3.258   1.146   7.466
  209    H2*    G  20           H2*        G  20   1.608   2.237   8.910
  210   2HO*    G  20          2HO*        G  20   2.910   2.045  10.873
  211    H1*    G  20           H1*        G  20   2.798   4.657   8.701
  212    H8     G  20           H8         G  20   3.522   3.257   5.316
  213    H1     G  20           H1         G  20  -2.688   4.676   6.162
  214   1H2     G  20          1H2         G  20  -3.099   5.026   8.308
  215   2H2     G  20          2H2         G  20  -1.828   4.946   9.513
  216   1H5*    A  21          1H5*        A  21   1.944   0.770  11.463
  217   2H5*    A  21          2H5*        A  21   1.356  -0.873  11.778
  218    H4*    A  21           H4*        A  21  -0.331   0.837  12.382
  219    H3*    A  21           H3*        A  21  -0.999  -0.969  10.051
  220    H2*    A  21           H2*        A  21  -3.218   0.032  10.111
  221   2HO*    A  21          2HO*        A  21  -3.452   0.248  12.363
  222    H1*    A  21           H1*        A  21  -2.289   2.553  10.197
  223    H8     A  21           H8         A  21   0.337   0.867   8.139
  224   1H6     A  21          1H6         A  21  -3.643   1.431   3.393
  225   2H6     A  21          2H6         A  21  -1.989   1.047   3.829
  226    H2     A  21           H2         A  21  -5.838   2.271   7.149
  227   1H5*    U  22          1H5*        U  22  -2.777  -3.414   8.677
  228   2H5*    U  22          2H5*        U  22  -2.592  -1.773   9.294
  229    H4*    U  22           H4*        U  22  -5.062  -2.459  10.325
  230    H3*    U  22           H3*        U  22  -4.611  -3.958   7.752
  231    H2*    U  22           H2*        U  22  -6.858  -3.358   7.058
  232   2HO*    U  22          2HO*        U  22  -7.731  -3.458   9.281
  233    H1*    U  22           H1*        U  22  -6.548  -0.740   7.535
  234    H3     U  22           H3         U  22  -5.642  -1.813   3.104
  235    H5     U  22           H5         U  22  -1.946  -1.721   5.097
  236    H6     U  22           H6         U  22  -3.138  -1.528   7.191
  237   1H5*    U  23          1H5*        U  23  -8.418  -4.827   8.463
  238   2H5*    U  23          2H5*        U  23  -8.689  -6.580   8.558
  239    H4*    U  23           H4*        U  23 -10.195  -5.532   6.896
  240    H3*    U  23           H3*        U  23  -8.021  -7.347   5.814
  241    H2*    U  23           H2*        U  23  -9.149  -7.164   3.692
  242   2HO*    U  23          2HO*        U  23 -11.298  -7.349   4.535
  243    H1*    U  23           H1*        U  23  -9.705  -4.454   3.981
  244    H3     U  23           H3         U  23  -6.831  -5.131   0.465
  245    H5     U  23           H5         U  23  -4.399  -4.829   3.880
  246    H6     U  23           H6         U  23  -6.387  -4.916   5.249
  247   1H5*    U  24          1H5*        U  24  -9.765 -11.480   3.812
  248   2H5*    U  24          2H5*        U  24  -8.437 -10.318   3.623
  249    H4*    U  24           H4*        U  24 -11.052 -10.314   2.043
  250    H3*    U  24           H3*        U  24  -8.214 -11.188   1.467
  251    H2*    U  24           H2*        U  24  -8.585 -10.543  -0.851
  252   2HO*    U  24          2HO*        U  24 -10.840 -11.171  -0.920
  253    H1*    U  24           H1*        U  24  -9.511  -8.099  -0.199
  254    H3     U  24           H3         U  24  -5.043  -7.945  -1.353
  255    H5     U  24           H5         U  24  -5.146  -8.358   2.822
  256    H6     U  24           H6         U  24  -7.521  -8.766   2.666
  257   1H5*    G  25          1H5*        G  25 -10.549 -12.779  -1.697
  258   2H5*    G  25          2H5*        G  25 -10.115 -14.471  -2.004
  259    H4*    G  25           H4*        G  25  -9.989 -13.154  -4.073
  260    H3*    G  25           H3*        G  25  -7.310 -14.061  -2.977
  261    H2*    G  25           H2*        G  25  -6.421 -13.313  -5.117
  262   2HO*    G  25          2HO*        G  25  -7.845 -12.522  -6.713
  263    H1*    G  25           H1*        G  25  -7.663 -10.911  -4.971
  264    H8     G  25           H8         G  25  -7.020 -11.704  -1.370
  265    H1     G  25           H1         G  25  -1.712 -10.009  -4.552
  266   1H2     G  25          1H2         G  25  -2.097 -10.044  -6.734
  267   2H2     G  25          2H2         G  25  -3.672 -10.454  -7.389
  268   1H5*    G  26          1H5*        G  26  -7.730 -15.362  -6.932
  269   2H5*    G  26          2H5*        G  26  -7.151 -17.019  -7.193
  270    H4*    G  26           H4*        G  26  -6.076 -15.461  -8.765
  271    H3*    G  26           H3*        G  26  -4.273 -16.643  -6.652
  272    H2*    G  26           H2*        G  26  -2.438 -15.602  -7.947
  273   2HO*    G  26          2HO*        G  26  -3.400 -15.987 -10.038
  274    H1*    G  26           H1*        G  26  -3.659 -13.217  -8.089
  275    H8     G  26           H8         G  26  -4.891 -14.505  -4.790
  276    H1     G  26           H1         G  26   1.126 -12.287  -4.615
  277   1H2     G  26          1H2         G  26   1.919 -12.086  -6.679
  278   2H2     G  26          2H2         G  26   0.936 -12.455  -8.083
  279   1H5*    C  27          1H5*        C  27  -2.552 -17.633 -10.343
  280   2H5*    C  27          2H5*        C  27  -1.909 -19.290 -10.367
  281    H4*    C  27           H4*        C  27  -0.113 -17.671 -10.818
  282    H3*    C  27           H3*        C  27   0.040 -19.012  -8.100
  283    H2*    C  27           H2*        C  27   2.227 -17.954  -7.920
  284   2HO*    C  27          2HO*        C  27   2.777 -18.194 -10.189
  285    H1*    C  27           H1*        C  27   1.302 -15.519  -8.703
  286   1H4     C  27          1H4         C  27   0.588 -15.599  -2.402
  287   2H4     C  27          2H4         C  27  -1.069 -16.138  -2.593
  288    H5     C  27           H5         C  27  -2.019 -16.759  -4.775
  289    H6     C  27           H6         C  27  -1.529 -17.019  -7.114
  290   1H5*    C  28          1H5*        C  28   3.745 -19.688  -9.918
  291   2H5*    C  28          2H5*        C  28   4.360 -21.323  -9.609
  292    H4*    C  28           H4*        C  28   5.961 -19.632  -8.818
  293    H3*    C  28           H3*        C  28   4.542 -21.159  -6.609
  294    H2*    C  28           H2*        C  28   6.134 -20.114  -5.119
  295   2HO*    C  28          2HO*        C  28   7.947 -20.236  -6.600
  296    H1*    C  28           H1*        C  28   5.804 -17.628  -6.211
  297   1H4     C  28          1H4         C  28   1.735 -18.273  -1.362
  298   2H4     C  28          2H4         C  28   0.512 -18.927  -2.436
  299    H5     C  28           H5         C  28   0.946 -19.380  -4.808
  300    H6     C  28           H6         C  28   2.626 -19.313  -6.546
  301    H3T    C  28           H3T        C  28   5.845 -22.414  -8.031
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   5.812 -18.019   8.027
    2   2H5*    G   1          2H5*        G   1   6.082 -16.272   7.854
    3    H4*    G   1           H4*        G   1   7.733 -17.457   6.531
    4    H3*    G   1           H3*        G   1   5.580 -16.136   4.849
    5    H2*    G   1           H2*        G   1   6.982 -16.718   2.945
    6   2HO*    G   1          2HO*        G   1   9.025 -16.377   4.095
    7    H1*    G   1           H1*        G   1   7.277 -19.287   3.722
    8    H8     G   1           H8         G   1   3.892 -18.518   5.069
    9    H1     G   1           H1         G   1   3.951 -19.043  -1.328
   10   1H2     G   1          1H2         G   1   6.044 -19.011  -2.067
   11   2H2     G   1          2H2         G   1   7.407 -18.905  -0.970
   12    H5T    G   1           H5T        G   1   3.870 -16.832   7.650
   13   1H5*    G   2          1H5*        G   2   9.251 -14.868   3.316
   14   2H5*    G   2          2H5*        G   2   9.260 -13.124   3.004
   15    H4*    G   2           H4*        G   2   9.908 -14.380   0.989
   16    H3*    G   2           H3*        G   2   7.217 -12.994   0.875
   17    H2*    G   2           H2*        G   2   7.273 -13.547  -1.527
   18   2HO*    G   2          2HO*        G   2   9.590 -13.243  -1.758
   19    H1*    G   2           H1*        G   2   7.937 -16.127  -1.075
   20    H8     G   2           H8         G   2   5.831 -15.364   1.920
   21    H1     G   2           H1         G   2   2.408 -16.024  -3.472
   22   1H2     G   2          1H2         G   2   3.760 -16.007  -5.232
   23   2H2     G   2          2H2         G   2   5.495 -15.835  -5.060
   24   1H5*    C   3          1H5*        C   3   9.446 -11.652  -2.341
   25   2H5*    C   3          2H5*        C   3   9.234  -9.921  -2.681
   26    H4*    C   3           H4*        C   3   8.635 -11.335  -4.631
   27    H3*    C   3           H3*        C   3   6.326  -9.857  -3.327
   28    H2*    C   3           H2*        C   3   5.052 -10.570  -5.291
   29   2HO*    C   3          2HO*        C   3   6.102 -11.700  -6.956
   30    H1*    C   3           H1*        C   3   5.905 -13.161  -5.068
   31   1H4     C   3          1H4         C   3   0.666 -12.691  -1.502
   32   2H4     C   3          2H4         C   3   1.657 -12.419  -0.081
   33    H5     C   3           H5         C   3   4.082 -12.129  -0.199
   34    H6     C   3           H6         C   3   5.982 -12.055  -1.689
   35   1H5*    C   4          1H5*        C   4   6.475  -8.896  -7.278
   36   2H5*    C   4          2H5*        C   4   6.148  -7.189  -7.649
   37    H4*    C   4           H4*        C   4   4.566  -8.683  -8.821
   38    H3*    C   4           H3*        C   4   3.353  -6.984  -6.608
   39    H2*    C   4           H2*        C   4   1.225  -7.759  -7.435
   40   2HO*    C   4          2HO*        C   4   1.741  -7.697  -9.681
   41    H1*    C   4           H1*        C   4   2.038 -10.373  -7.624
   42   1H4     C   4          1H4         C   4  -0.541  -9.845  -1.865
   43   2H4     C   4          2H4         C   4   0.993  -9.324  -1.191
   44    H5     C   4           H5         C   4   2.967  -8.902  -2.577
   45    H6     C   4           H6         C   4   3.821  -8.900  -4.837
   46   1H5*    A   5          1H5*        A   5   0.017  -3.846  -8.830
   47   2H5*    A   5          2H5*        A   5   0.191  -4.807  -7.346
   48    H4*    A   5           H4*        A   5  -1.235  -5.716  -9.888
   49    H3*    A   5           H3*        A   5  -2.088  -4.507  -7.274
   50    H2*    A   5           H2*        A   5  -3.912  -6.050  -7.037
   51   2HO*    A   5          2HO*        A   5  -4.418  -6.058  -9.356
   52    H1*    A   5           H1*        A   5  -2.506  -8.262  -7.567
   53    H8     A   5           H8         A   5   0.340  -6.466  -6.071
   54   1H6     A   5          1H6         A   5  -2.492  -7.249  -0.568
   55   2H6     A   5          2H6         A   5  -0.983  -6.775  -1.329
   56    H2     A   5           H2         A   5  -5.402  -8.144  -3.763
   57   1H5*    U   6          1H5*        U   6  -5.671  -5.038  -8.284
   58   2H5*    U   6          2H5*        U   6  -6.579  -3.515  -8.376
   59    H4*    U   6           H4*        U   6  -7.637  -4.990  -6.739
   60    H3*    U   6           H3*        U   6  -6.127  -2.663  -5.513
   61    H2*    U   6           H2*        U   6  -7.249  -3.294  -3.447
   62   2HO*    U   6          2HO*        U   6  -8.792  -4.978  -3.473
   63    H1*    U   6           H1*        U   6  -6.659  -5.959  -3.779
   64    H3     U   6           H3         U   6  -3.910  -4.338  -0.505
   65    H5     U   6           H5         U   6  -2.015  -3.345  -4.122
   66    H6     U   6           H6         U   6  -4.001  -4.054  -5.295
   67   1H5*    C   7          1H5*        C   7 -10.150  -2.635  -4.132
   68   2H5*    C   7          2H5*        C   7 -10.796  -0.983  -4.217
   69    H4*    C   7           H4*        C   7 -11.186  -1.884  -1.980
   70    H3*    C   7           H3*        C   7  -8.992   0.211  -2.105
   71    H2*    C   7           H2*        C   7  -9.112   0.181   0.319
   72   2HO*    C   7          2HO*        C   7 -11.408  -0.006   0.489
   73    H1*    C   7           H1*        C   7  -9.271  -2.576   0.448
   74   1H4     C   7          1H4         C   7  -3.124  -1.341   1.294
   75   2H4     C   7          2H4         C   7  -2.882  -1.127  -0.427
   76    H5     C   7           H5         C   7  -4.725  -1.161  -2.034
   77    H6     C   7           H6         C   7  -7.115  -1.442  -2.286
   78   1H5*    U   8          1H5*        U   8 -12.274   1.489   0.585
   79   2H5*    U   8          2H5*        U   8 -12.428   3.257   0.536
   80    H4*    U   8           H4*        U   8 -12.119   2.423   2.851
   81    H3*    U   8           H3*        U   8  -9.832   4.055   1.710
   82    H2*    U   8           H2*        U   8  -8.886   3.971   3.934
   83   2HO*    U   8          2HO*        U   8 -11.367   2.741   4.680
   84    H1*    U   8           H1*        U   8  -9.383   1.317   4.298
   85    H3     U   8           H3         U   8  -4.944   1.327   3.744
   86    H5     U   8           H5         U   8  -6.371   2.296  -0.084
   87    H6     U   8           H6         U   8  -8.606   2.371   0.837
   88   1H5*    U   9          1H5*        U   9 -10.720   5.517   5.523
   89   2H5*    U   9          2H5*        U   9 -10.525   7.269   5.659
   90    H4*    U   9           H4*        U   9  -9.081   5.952   7.243
   91    H3*    U   9           H3*        U   9  -7.686   7.677   5.185
   92    H2*    U   9           H2*        U   9  -5.660   7.173   6.460
   93   2HO*    U   9          2HO*        U   9  -6.641   7.223   8.563
   94    H1*    U   9           H1*        U   9  -6.207   4.507   6.626
   95    H3     U   9           H3         U   9  -2.847   4.814   3.590
   96    H5     U   9           H5         U   9  -6.275   5.986   1.462
   97    H6     U   9           H6         U   9  -7.514   5.939   3.535
   98   1H5*    C  10          1H5*        C  10  -6.496   8.589   9.370
   99   2H5*    C  10          2H5*        C  10  -6.238  10.336   9.532
  100    H4*    C  10           H4*        C  10  -4.302   9.061  10.385
  101    H3*    C  10           H3*        C  10  -3.807  10.655   7.855
  102    H2*    C  10           H2*        C  10  -1.452  10.131   8.248
  103   2HO*    C  10          2HO*        C  10  -1.565  10.279  10.580
  104    H1*    C  10           H1*        C  10  -1.926   7.503   8.721
  105   1H4     C  10          1H4         C  10  -0.886   7.826   2.487
  106   2H4     C  10          2H4         C  10  -2.571   8.204   2.182
  107    H5     C  10           H5         C  10  -4.175   8.611   3.993
  108    H6     C  10           H6         C  10  -4.445   8.697   6.393
  109   1H5*    U  11          1H5*        U  11  -0.997  11.718  10.953
  110   2H5*    U  11          2H5*        U  11  -0.580  13.439  10.914
  111    H4*    U  11           H4*        U  11   1.431  12.000  10.823
  112    H3*    U  11           H3*        U  11   0.848  13.601   8.308
  113    H2*    U  11           H2*        U  11   3.079  12.901   7.617
  114   2HO*    U  11          2HO*        U  11   3.997  13.030   9.788
  115    H1*    U  11           H1*        U  11   2.675  10.301   8.294
  116    H3     U  11           H3         U  11   2.384  10.510   3.744
  117    H5     U  11           H5         U  11  -1.446  11.531   5.133
  118    H6     U  11           H6         U  11  -0.550  11.636   7.368
  119   1H5*    C  12          1H5*        C  12   4.807  14.495   9.378
  120   2H5*    C  12          2H5*        C  12   5.099  16.240   9.222
  121    H4*    C  12           H4*        C  12   6.698  14.972   7.829
  122    H3*    C  12           H3*        C  12   4.571  16.543   6.346
  123    H2*    C  12           H2*        C  12   5.758  15.997   4.331
  124   2HO*    C  12          2HO*        C  12   7.816  14.991   4.441
  125    H1*    C  12           H1*        C  12   6.269  13.377   5.070
  126   1H4     C  12          1H4         C  12   1.269  13.500   1.172
  127   2H4     C  12          2H4         C  12   0.174  13.790   2.512
  128    H5     C  12           H5         C  12   0.974  14.157   4.806
  129    H6     C  12           H6         C  12   2.948  14.325   6.199
  130   1H5*    U  13          1H5*        U  13   7.396  17.708   4.102
  131   2H5*    U  13          2H5*        U  13   7.431  19.478   3.959
  132    H4*    U  13           H4*        U  13   7.020  18.510   1.759
  133    H3*    U  13           H3*        U  13   4.595  19.830   3.015
  134    H2*    U  13           H2*        U  13   3.527  19.549   0.879
  135   2HO*    U  13          2HO*        U  13   5.350  20.085  -0.418
  136    H1*    U  13           H1*        U  13   4.438  16.978   0.523
  137    H3     U  13           H3         U  13  -0.051  16.742   1.402
  138    H5     U  13           H5         U  13   1.729  17.349   5.157
  139    H6     U  13           H6         U  13   3.853  17.653   4.042
  140   1H5*    U  14          1H5*        U  14   6.428  24.056  -0.378
  141   2H5*    U  14          2H5*        U  14   4.796  23.834  -1.032
  142    H4*    U  14           H4*        U  14   6.324  24.113  -2.861
  143    H3*    U  14           H3*        U  14   4.620  21.962  -2.775
  144    H2*    U  14           H2*        U  14   6.219  20.441  -1.888
  145   2HO*    U  14          2HO*        U  14   5.477  19.547  -3.872
  146    H1*    U  14           H1*        U  14   8.272  21.556  -3.795
  147    H3     U  14           H3         U  14  11.721  19.188  -2.129
  148    H5     U  14           H5         U  14   8.950  19.141   1.031
  149    H6     U  14           H6         U  14   7.505  20.560  -0.296
  150   1H5*    C  15          1H5*        C  15   4.585  20.470  -5.795
  151   2H5*    C  15          2H5*        C  15   3.857  21.264  -7.202
  152    H4*    C  15           H4*        C  15   2.885  19.088  -6.874
  153    H3*    C  15           H3*        C  15   1.288  21.275  -7.292
  154    H2*    C  15           H2*        C  15   1.093  21.756  -4.917
  155   2HO*    C  15          2HO*        C  15  -1.140  20.174  -5.727
  156    H1*    C  15           H1*        C  15   0.446  18.811  -4.558
  157   1H4     C  15          1H4         C  15   0.573  20.551   1.566
  158   2H4     C  15          2H4         C  15   2.033  21.496   1.313
  159    H5     C  15           H5         C  15   3.033  21.829  -0.878
  160    H6     C  15           H6         C  15   2.882  21.229  -3.234
  161   1H5*    G  16          1H5*        G  16  -0.177  15.516  -8.229
  162   2H5*    G  16          2H5*        G  16   0.202  16.628  -6.902
  163    H4*    G  16           H4*        G  16   2.122  16.357  -9.225
  164    H3*    G  16           H3*        G  16   1.988  14.498  -6.822
  165    H2*    G  16           H2*        G  16   4.359  14.288  -7.238
  166   2HO*    G  16          2HO*        G  16   4.061  14.159  -9.600
  167    H1*    G  16           H1*        G  16   4.586  16.990  -8.011
  168    H8     G  16           H8         G  16   6.671  16.449  -6.595
  169    H1     G  16           H1         G  16   3.196  16.372  -1.218
  170   1H2     G  16          1H2         G  16   1.081  16.431  -1.676
  171   2H2     G  16          2H2         G  16   0.460  16.416  -3.319
  172   1H5*    G  17          1H5*        G  17   4.699  12.586  -8.859
  173   2H5*    G  17          2H5*        G  17   4.491  10.830  -8.742
  174    H4*    G  17           H4*        G  17   6.603  11.535  -7.691
  175    H3*    G  17           H3*        G  17   4.481  10.540  -5.782
  176    H2*    G  17           H2*        G  17   6.250  10.628  -4.065
  177   2HO*    G  17          2HO*        G  17   8.348  11.254  -4.674
  178    H1*    G  17           H1*        G  17   6.909  13.176  -4.688
  179    H8     G  17           H8         G  17   3.281  13.048  -5.608
  180    H1     G  17           H1         G  17   4.241  13.222   0.728
  181   1H2     G  17          1H2         G  17   6.393  12.959   1.171
  182   2H2     G  17          2H2         G  17   7.577  12.687  -0.095
  183   1H5*    A  18          1H5*        A  18   8.004   8.551  -5.151
  184   2H5*    A  18          2H5*        A  18   7.848   6.811  -4.841
  185    H4*    A  18           H4*        A  18   9.056   7.943  -3.004
  186    H3*    A  18           H3*        A  18   6.291   6.896  -2.347
  187    H2*    A  18           H2*        A  18   6.888   7.382  -0.020
  188   2HO*    A  18          2HO*        A  18   9.151   6.846  -0.199
  189    H1*    A  18           H1*        A  18   7.702   9.884  -0.594
  190    H8     A  18           H8         A  18   4.995   9.338  -3.120
  191   1H6     A  18          1H6         A  18   0.976  10.415   1.490
  192   2H6     A  18          2H6         A  18   1.140  10.193  -0.242
  193    H2     A  18           H2         A  18   5.022   9.991   3.260
  194   1H5*    G  19          1H5*        G  19   9.237   5.371   0.259
  195   2H5*    G  19          2H5*        G  19   8.932   3.709   0.795
  196    H4*    G  19           H4*        G  19   9.206   5.316   2.684
  197    H3*    G  19           H3*        G  19   6.486   3.981   2.418
  198    H2*    G  19           H2*        G  19   6.015   4.948   4.575
  199   2HO*    G  19          2HO*        G  19   8.138   4.696   5.481
  200    H1*    G  19           H1*        G  19   6.846   7.436   3.834
  201    H8     G  19           H8         G  19   5.588   6.059   0.606
  202    H1     G  19           H1         G  19   0.846   7.525   4.661
  203   1H2     G  19          1H2         G  19   1.647   7.763   6.715
  204   2H2     G  19          2H2         G  19   3.365   7.655   7.052
  205   1H5*    G  20          1H5*        G  20   5.861   0.748   6.160
  206   2H5*    G  20          2H5*        G  20   4.857   1.922   5.282
  207    H4*    G  20           H4*        G  20   6.176   2.400   7.991
  208    H3*    G  20           H3*        G  20   3.518   1.388   7.079
  209    H2*    G  20           H2*        G  20   2.278   2.830   8.520
  210   2HO*    G  20          2HO*        G  20   4.809   3.472   9.687
  211    H1*    G  20           H1*        G  20   3.613   5.087   7.984
  212    H8     G  20           H8         G  20   4.184   3.828   4.613
  213    H1     G  20           H1         G  20  -2.089   4.706   5.726
  214   1H2     G  20          1H2         G  20  -2.446   4.976   7.888
  215   2H2     G  20          2H2         G  20  -1.136   4.943   9.053
  216   1H5*    A  21          1H5*        A  21   2.529   1.146  10.925
  217   2H5*    A  21          2H5*        A  21   2.133  -0.537  11.344
  218    H4*    A  21           H4*        A  21   0.191   0.841  11.827
  219    H3*    A  21           H3*        A  21  -0.104  -0.803   9.291
  220    H2*    A  21           H2*        A  21  -2.436  -0.100   9.334
  221   2HO*    A  21          2HO*        A  21  -3.181   1.204  11.064
  222    H1*    A  21           H1*        A  21  -1.791   2.509   9.653
  223    H8     A  21           H8         A  21   1.109   1.271   7.648
  224   1H6     A  21          1H6         A  21  -2.737   1.338   2.750
  225   2H6     A  21          2H6         A  21  -1.061   1.165   3.238
  226    H2     A  21           H2         A  21  -5.150   1.851   6.424
  227   1H5*    U  22          1H5*        U  22  -3.526  -1.395  11.183
  228   2H5*    U  22          2H5*        U  22  -3.893  -3.117  11.389
  229    H4*    U  22           H4*        U  22  -5.786  -1.944  10.358
  230    H3*    U  22           H3*        U  22  -4.328  -3.835   8.478
  231    H2*    U  22           H2*        U  22  -6.274  -3.531   7.063
  232   2HO*    U  22          2HO*        U  22  -7.860  -3.521   8.735
  233    H1*    U  22           H1*        U  22  -6.320  -0.798   7.462
  234    H3     U  22           H3         U  22  -5.023  -1.673   3.159
  235    H5     U  22           H5         U  22  -1.519  -2.012   5.456
  236    H6     U  22           H6         U  22  -2.869  -1.852   7.453
  237   1H5*    U  23          1H5*        U  23  -7.586  -7.640   7.523
  238   2H5*    U  23          2H5*        U  23  -6.541  -6.617   6.517
  239    H4*    U  23           H4*        U  23  -9.541  -6.215   6.916
  240    H3*    U  23           H3*        U  23  -7.853  -7.610   4.849
  241    H2*    U  23           H2*        U  23  -9.307  -6.820   3.103
  242   2HO*    U  23          2HO*        U  23 -11.281  -7.051   4.356
  243    H1*    U  23           H1*        U  23  -9.369  -4.248   3.952
  244    H3     U  23           H3         U  23  -6.361  -4.994   0.451
  245    H5     U  23           H5         U  23  -4.151  -4.824   4.027
  246    H6     U  23           H6         U  23  -6.216  -4.932   5.251
  247   1H5*    U  24          1H5*        U  24 -11.330  -8.857   3.374
  248   2H5*    U  24          2H5*        U  24 -11.357 -10.625   3.201
  249    H4*    U  24           H4*        U  24 -11.663  -9.589   1.007
  250    H3*    U  24           H3*        U  24  -8.909 -10.807   1.383
  251    H2*    U  24           H2*        U  24  -8.666 -10.439  -1.014
  252   2HO*    U  24          2HO*        U  24 -10.416  -9.613  -2.213
  253    H1*    U  24           H1*        U  24  -9.538  -7.867  -0.847
  254    H3     U  24           H3         U  24  -5.006  -7.885  -1.352
  255    H5     U  24           H5         U  24  -5.623  -8.343   2.772
  256    H6     U  24           H6         U  24  -7.983  -8.604   2.332
  257   1H5*    G  25          1H5*        G  25 -10.930 -12.377  -2.075
  258   2H5*    G  25          2H5*        G  25 -10.624 -14.110  -2.293
  259    H4*    G  25           H4*        G  25 -10.204 -12.857  -4.373
  260    H3*    G  25           H3*        G  25  -7.722 -14.011  -3.063
  261    H2*    G  25           H2*        G  25  -6.620 -13.413  -5.152
  262   2HO*    G  25          2HO*        G  25  -7.842 -12.524  -6.858
  263    H1*    G  25           H1*        G  25  -7.609 -10.889  -5.126
  264    H8     G  25           H8         G  25  -7.285 -11.750  -1.492
  265    H1     G  25           H1         G  25  -1.646 -10.524  -4.297
  266   1H2     G  25          1H2         G  25  -1.889 -10.512  -6.503
  267   2H2     G  25          2H2         G  25  -3.450 -10.763  -7.262
  268   1H5*    G  26          1H5*        G  26  -8.023 -15.308  -7.024
  269   2H5*    G  26          2H5*        G  26  -7.541 -16.997  -7.273
  270    H4*    G  26           H4*        G  26  -6.283 -15.467  -8.754
  271    H3*    G  26           H3*        G  26  -4.678 -16.859  -6.611
  272    H2*    G  26           H2*        G  26  -2.710 -15.914  -7.789
  273   2HO*    G  26          2HO*        G  26  -3.612 -16.141  -9.931
  274    H1*    G  26           H1*        G  26  -3.730 -13.440  -7.869
  275    H8     G  26           H8         G  26  -5.237 -14.729  -4.693
  276    H1     G  26           H1         G  26   0.955 -13.146  -4.139
  277   1H2     G  26          1H2         G  26   1.872 -12.951  -6.149
  278   2H2     G  26          2H2         G  26   0.936 -13.159  -7.616
  279   1H5*    C  27          1H5*        C  27  -2.912 -17.771 -10.311
  280   2H5*    C  27          2H5*        C  27  -2.376 -19.461 -10.417
  281    H4*    C  27           H4*        C  27  -0.477 -17.925 -10.758
  282    H3*    C  27           H3*        C  27  -0.444 -19.471  -8.148
  283    H2*    C  27           H2*        C  27   1.804 -18.567  -7.864
  284   2HO*    C  27          2HO*        C  27   2.369 -18.672 -10.140
  285    H1*    C  27           H1*        C  27   1.047 -16.029  -8.471
  286   1H4     C  27          1H4         C  27   0.201 -16.508  -2.203
  287   2H4     C  27          2H4         C  27  -1.489 -16.884  -2.462
  288    H5     C  27           H5         C  27  -2.435 -17.265  -4.702
  289    H6     C  27           H6         C  27  -1.913 -17.408  -7.040
  290   1H5*    C  28          1H5*        C  28   3.244 -20.265  -9.997
  291   2H5*    C  28          2H5*        C  28   3.732 -21.962  -9.815
  292    H4*    C  28           H4*        C  28   5.445 -20.461  -8.885
  293    H3*    C  28           H3*        C  28   3.891 -22.065  -6.828
  294    H2*    C  28           H2*        C  28   5.525 -21.263  -5.233
  295   2HO*    C  28          2HO*        C  28   7.359 -21.387  -6.684
  296    H1*    C  28           H1*        C  28   5.394 -18.677  -6.108
  297   1H4     C  28          1H4         C  28   1.191 -19.403  -1.392
  298   2H4     C  28          2H4         C  28  -0.064 -19.839  -2.539
  299    H5     C  28           H5         C  28   0.387 -20.126  -4.937
  300    H6     C  28           H6         C  28   2.108 -20.065  -6.634
  301    H3T    C  28           H3T        C  28   5.779 -23.365  -6.999