*HEADER    RNA                                     22-JUL-04   1U3K              
*TITLE     THE SOLUTION STRUCTURE OF A SUBSTRATE OF ARCHAEAL PRE-TRNA            
*TITLE    2 SPLICING ENDONUCLEASES                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ABISS7;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION            
*SOURCE   4 WITH T7 RNA POLYMERASE                                               
*KEYWDS    BULGE-HELIX-BULGE                                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    E.C.POLLOCK, P.B.MOORE                                                
*REVDAT   1   12-JUL-05 1U3K    0                                                
!NOE restraints for ABISS7 rna
!from Sarah Stallings
!modified to fit Diener's data 7/9/97
!modified with more specific noe ranges as per dcs' thesis 7/15/97
!loosened wc noe's in 4 mid bps and not as good, 
!so put back and added real noes for im->ah2 and aminos too and im->nonex 7/17/97.
!strong or med at 40ms = 2.4 +/- 0.6
!weak at 40 ms but strong or med at 100ms = 3 +/- 1
!absent at 40 or weak at 100 ms but seen at 300 = 4 +/- 1
!note: assumed syntax of real #s is: distance  -x  +y
!modified 7/31/97 a11h2->u31h1' changed to g26h1'
!modified 8/1/97 made weak 4.0 1.0 1.5 and for residued with repeated dihed.
!viols I loosened the NOE constraints +/- 0.5 ang.(res# 4,5,12,14,23,27,33,36,37)
!self & sequential ribose -> aromatic NOEs
!8/4/97 include 10 unoes from lowest e str and peters calc. 
!also make weak = 4.0 1.0 1.0 again.
!8/13/97 make all rib->aro noes 3.0 1.5 2.0 for res 5-15, 24-34 
!also & add A32 H2 new noes and change h1'-h1' for u4-g5 to g3-u4
!8/14/97 make hbonds in wc bps for res 5-14 =/- 0.5 instead of +/- 0.2
!8/15/97 made to fit short run on res 5-15 & 24-34 only
!8/19/97 include new im -> non-exch noes.
!also include new h3'->aro noes s=2.5 1 1.5, m&w=3.0 1.5 2.0, ww=4 1.5 1
!8/19/97 i put in 6 unnoes and removed the "sketchy" g27im->g26h1' noe that
!was repeatedly violated
!as per varanii s=3 2 1, m=4 3 1, w=5 4 1, & all exch =5.5 4.5 1
!put in 10 more unnoes based on peter's prog results on lowest energy str. 8/24
!put in 1 more aro->aro and 1 more ano->ano 8/25/97
!8/26/97 put in a11h2->g12h1' and 4 more im ->x noes from other side of h2o spec.
!8/27/97 put in 4 new H2'-> aro noes found at low cont. incl G12->A13 seq.!!
!and one unoe a32h8 ->a30h2
!8/28/97 ~12am remove H-bonds for 4bps around loops
!8/28/97 peter said to go back and put tighter bounds on nonexchables so i tried
!to requantify the noes and put them into 4 classes:
!strong=strong at 40ms= 2.7 0.75 0.75
!med=all else at 40 ms except tiny specs= 3.75 1.75 1.75
!weak=spec or nothing at 40 ms and anything but a spec at 100ms= 4.25 1.25 1.25
!weakweak= spec at 100ms or only seen at 160ms= 5.75 1.25 1.25
!leave exchangeables alone with big bounds and put back hbonds around buldges 
!because 3 of 4 bps came back as WC anyway.
!8/29/97 12 am add a few more unoes from low e str from last calc.
!8/29/97 removing A13H2'-G27H8 noe i think that it may be a self 3'.
!8/29/97 make unoes 7.0 1.5 50.0 (pbm suggestion) and add 5  more unoes
!8/30/97  add 5  more unoes based on abiss7s2.4.03.pdb noe pred prog.
!9/1 found ~5 noes that i had not put into the list redo 60 str calc
!9/15/97 remove all unoes from 11-13 region and make lower unoe bound 5.0
!add back 5 unoes from 11-13 region 9/16/97
!add 3 new unoes, 2 in 30-32 reg and one in 11-13 reg. 9/18/97
!add one more unoe a11h2->g14h1' 9/18/97 
!add 5 more unoes 9/20/97
!9/21/97 add 2 unoes between u31h5 and g29 im and a13h2 and g15h8
!one noe g27-> a28 aro-aro in h2o noesy put in as ww.
!9/22/97 tighten use ad vals im-x noes Uim->ah2 =2.5 0.5 1.0 
!(ex U33=3.75 1.75 1.75) rest = 4.0 1.5 1.5
!9/23/97 change ww to 5.0 1.0 1.0
!9/23/97 add 6 more unoes to 11-13 region
!9/29/97 add back missing residues and calc full molecule. 
!(no h-bonds for g18-a21 pair)
!9/30/97 put in h-bonds for GA pair in tetraloop
!10/1/97 put in 2 unoes for tetraloop
!10/4/97 put in 2 more tloop unoes and 2 11-13 reg unoes
!10/10/97 put in one more unoe 11h8-13h8
!10/11/97 removed 2 unoes that involved imino protons & added 2 in 11-13 reg
!10/13/97 loosen h-bonds in ga in tloop and make tloop nonseq ww.
!10/16/97 add one more unoe g14h8-g27h1'
!10/17/97 add one more unoe a13h2-g15h1'
!typo in a35 had h6 inst of h8 in 2 places 10/20/97
!10/27/97 make all h-bonds +/- 0.5 except ga which is +/- 0.6 hope to help bases
!10/28/97 make nonseq noe in tloop bigger range
!10/29/97 make imx weaks 4.0 1.5 1.9 & rem ga h-bonds
!10/31/97 remove g14im-a13h1' only seen on one side of diag, 
!very weak & often vio. also include heavy atom dist in wc h-bonds
!11/4/97 make a13h2-a27h1' ww
!11/4/97 add unoe between g12h8 and g14h8
!11/5/97 change g14h8-h14h1' from weak to ww
!11/6/97 put in h1'-h2' noes
!11/7/97 change heavy aton hbond dists to match alex bec nbfix and h-heavy are alex
!11/10/97 add 2 unoes 13h8-10h1' & 13h8-11h1'
!11/10/97 make a13h2-g27h1' w again
!11/11/97 add 4unoes 15h1'- 27h1' 15h1'-26h1' 14h1'-27h1' &14h1'-26h1' & remove
!ga hbonds (noticed that they have been commented out. when??? leave it)
!11/12/97 add same 4 unoes as 11/11 in uloop and put ga hbonds in & unoes 9&10h5-13h8
!a11h8=7.85 g14h8=7.87 i have a g26im-g14noe that may be g26im-a11h8 try that. 11/14
!11/17/97 after running with no unoes i will use a very reduced set
!11/17/97 add back unoes to keep 11&13 apart and 12&14 aro-aro and ano-ano apart
!11/18/97 reassigned g26/g5 im-x line put in new noes 
!11/18/97 updated entire im-x and fixed ~5 errors. also removed g5im-a32h1' for now
!11/19/97 update im-x again and remove all noes from grainy/tiny peaks (~14 noes)
!11/19/97 remove g12-g14 h1'-h1' unoe bec i have that noe duh!!! and i rechecked it too
!11/20/97 one of first 9 gorgeous. 2 more low e a bit wierd so added 1 unoe in
!uloop a30h2-u8h5 &  a30h2-u8h1' and a couple more to keep a19 and a21 apart
!11/21/97 remove the unoes to keep 4bp and adj hel. apart and add 13h2-26h1'
!remove noe a30h2-u33h1' rechecked and it's ambig at best. also remove
!unoe g12h8-g14h8 and add 6 new h1'-rib seq noes and put ga hbonds back
!with heavy atoms too and range -0.5 + 0.7 11/30/97. add in 32-33 bkwds (when removed??)
!add unoe 11h2-27h1' and remove tloop ga hbonds again 12/1/97
!12/1/97 added in 13 new noes from 3d as 3.75 1.00 1.75 except 1 unus. see below
!12/2/97 add 15h1'-27h1'unoe and remove 37h2'-36h5noe
!added in 12h8-11h2 unoe 1/5/98
!1/6/98 make all h-bonde +/- 0.1
!1/7/98 make a6h2-u33im noe same as other 3 im-ah2 noes and make 3 im-im noes 
!same as all other im-x noes
!1/9/98 change noe weights: s=(2.85 0.85 0.85) m=(3.75 1.25 1.25) ex=(4.0 1.5 2.0)
!add hbond +/- 0.2 for g18ho2'-g20n7 from pardi tloop paper (&maybe 2'oh observed)
!1/13/97 removed g5im-u4h6 noe was supposed to be gone in nov!!!
!1/14/97 removed g5im-a6h8 noe too also sketchy.
!remove all im-x noes except those to non wc stuff 1/14/98
assign (resid 1  and  name H1' ) (resid 1  and  name H8  ) 3.75 1.25 1.25
assign (resid 1  and  name H1' ) (resid 2  and  name H8  ) 4.25 1.25 1.25
assign (resid 1  and  name H2' ) (resid 1  and  name H8  ) 3.75 1.25 1.25
assign (resid 1  and  name H2' ) (resid 2  and  name H8  ) 2.85 0.85 0.85
assign (resid 1  and  name H3' ) (resid 1  and  name H8  ) 3.75 1.25 1.25
assign (resid 1  and  name H3' ) (resid 2  and  name H8  ) 3.75 1.25 1.25
!
assign (resid 2  and  name H1' ) (resid 2  and  name H8  ) 3.75 1.25 1.25
assign (resid 2  and  name H1' ) (resid 3  and  name H8  ) 4.25 1.25 1.25
assign (resid 2  and  name H2' ) (resid 2  and  name H8  ) 3.75 1.25 1.25
assign (resid 2  and  name H2' ) (resid 3  and  name H8  ) 2.85 0.85 0.85
assign (resid 2  and  name H3' ) (resid 2  and  name H8  ) 3.75 1.25 1.25
assign (resid 2  and  name H3' ) (resid 3  and  name H8  ) 4.25 1.25 1.25
!
assign (resid 3  and  name H1' ) (resid 3  and  name H8  ) 3.75 1.25 1.25
assign (resid 3  and  name H1' ) (resid 4  and  name H6  ) 4.25 1.25 1.25
assign (resid 3  and  name H2' ) (resid 3  and  name H8  ) 4.25 1.25 1.25
assign (resid 3  and  name H2' ) (resid 4  and  name H6  ) 3.75 1.25 1.25
assign (resid 3  and  name H3' ) (resid 3  and  name H8  ) 4.25 1.25 1.25
assign (resid 3  and  name H8  ) (resid 4  and  name H5  ) 4.25 1.25 1.25
!
assign (resid 4  and  name H1' ) (resid 4  and  name H6  ) 3.75 1.25 1.25
assign (resid 4  and  name H1' ) (resid 5  and  name H8  ) 5.00 1.00 1.00
assign (resid 4  and  name H2' ) (resid 4  and  name H6  ) 2.85 0.85 0.85
!
assign (resid 5  and  name H1' ) (resid 5  and  name H8  ) 3.75 1.25 1.25
assign (resid 5  and  name H1' ) (resid 6  and  name H8  ) 5.00 1.00 1.00
!
!
assign (resid 6  and  name H1' ) (resid 6  and  name H8  ) 4.25 1.25 1.25
assign (resid 6  and  name H1' ) (resid 7  and  name H6  ) 4.25 1.25 1.25 
assign (resid 6  and  name H2' ) (resid 6  and  name H8  ) 4.25 1.25 1.25
assign (resid 6  and  name H2' ) (resid 7  and  name H6  ) 5.00 1.00 1.00
!
!
assign (resid 7  and  name H1' ) (resid 7  and  name H6  ) 4.25 1.25 1.25
assign (resid 7  and  name H1' ) (resid 8  and  name H6  ) 4.25 1.25 1.25
assign (resid 7  and  name H2' ) (resid 7  and  name H6  ) 3.75 1.25 1.25
assign (resid 7  and  name H2' ) (resid 8  and  name H6  ) 2.85 0.85 0.85
assign (resid 7  and  name H3' ) (resid 8  and  name H6  ) 4.25 1.25 1.25
!
!
assign (resid 8  and  name H1' ) (resid 8  and  name H6  ) 4.25 1.25 1.25
assign (resid 8  and  name H1' ) (resid 9  and  name H6  ) 4.25 1.25 1.25
assign (resid 8  and  name H6  ) (resid 9  and  name H5  ) 4.25 1.25 1.25
assign (resid 8  and  name H2' ) (resid 9  and  name H6  ) 3.75 1.25 1.25
assign (resid 8  and  name H3' ) (resid 8  and  name H6  ) 4.25 1.25 1.25
!
!
assign (resid 9  and  name H1' ) (resid 9  and  name H6  ) 3.75 1.25 1.25
assign (resid 9  and  name H1' ) (resid 10 and  name H6  ) 4.25 1.25 1.25
assign (resid 9  and  name H2' ) (resid 9  and  name H6  ) 4.25 1.25 1.25
assign (resid 9  and  name H2' ) (resid 10 and  name H6  ) 3.75 1.25 1.25
assign (resid 9  and  name H6  ) (resid 10 and  name H5  ) 4.25 1.25 1.25
!
!
assign (resid 10 and  name H1' ) (resid 10 and  name H6  ) 3.75 1.25 1.25
assign (resid 10 and  name H1' ) (resid 11 and  name H8  ) 4.25 1.25 1.25
assign (resid 10 and  name H2' ) (resid 10 and  name H6  ) 2.85 0.85 0.85
assign (resid 10 and  name H2' ) (resid 11 and  name H8  ) 2.85 0.85 0.85
assign (resid 10 and  name H5  ) (resid 11 and  name H8  ) 4.25 1.25 1.25
!
!
assign (resid 11 and  name H1' ) (resid 11 and  name H8  ) 3.75 1.25 1.25
assign (resid 11 and  name H1' ) (resid 12 and  name H8  ) 4.25 1.25 1.25
assign (resid 11 and  name H2' ) (resid 11 and  name H8  ) 3.75 1.25 1.25
assign (resid 11 and  name H2' ) (resid 12 and  name H8  ) 3.75 1.25 1.25
assign (resid 11 and  name H3' ) (resid 11 and  name H8  ) 2.85 0.85 0.85
!
!
assign (resid 12 and  name H1' ) (resid 12 and  name H8  ) 3.75 1.25 1.25
assign (resid 12 and  name H1' ) (resid 13 and  name H8  ) 4.25 1.25 1.25
assign (resid 12 and  name H2' ) (resid 12 and  name H8  ) 4.25 1.25 1.25 
assign (resid 12 and  name H2' ) (resid 13 and  name H8  ) 5.00 1.00 1.00
assign (resid 12 and  name H3' ) (resid 12 and  name H8  ) 3.75 1.25 1.25
assign (resid 12 and  name H3' ) (resid 13 and  name H8  ) 3.75 1.25 1.25
!
!
assign (resid 13 and  name H1' ) (resid 13 and  name H8  ) 3.75 1.25 1.25
assign (resid 13 and  name H1' ) (resid 14 and  name H8  ) 4.25 1.25 1.25
assign (resid 13 and  name H2' ) (resid 13 and  name H8  ) 2.85 0.85 0.85
assign (resid 13 and  name H2' ) (resid 14 and  name H8  ) 3.75 1.25 1.25
assign (resid 13 and  name H3' ) (resid 13 and  name H8  ) 4.25 1.25 1.25
assign (resid 13 and  name H3' ) (resid 14 and  name H8  ) 4.25 1.25 1.25
!
!
assign (resid 14 and  name H1' ) (resid 14 and  name H8  ) 3.75 1.25 1.25
assign (resid 14 and  name H1' ) (resid 15 and  name H8  ) 4.25 1.25 1.25
assign (resid 14 and  name H2' ) (resid 14 and  name H8  ) 3.75 1.25 1.25 
assign (resid 14 and  name H2' ) (resid 15 and  name H8  ) 2.85 0.85 0.85
assign (resid 14 and  name H3' ) (resid 14 and  name H8  ) 4.25 1.25 1.25
assign (resid 14 and  name H3' ) (resid 15 and  name H8  ) 4.25 1.25 1.25
!
!
assign (resid 15 and  name H1' ) (resid 15 and  name H8  ) 3.75 1.25 1.25
assign (resid 15 and  name H1' ) (resid 16 and  name H6  ) 4.25 1.25 1.25
assign (resid 15 and  name H2' ) (resid 15 and  name H8  ) 4.25 1.25 1.25 
assign (resid 15 and  name H2' ) (resid 16 and  name H6  ) 2.85 0.85 0.85
assign (resid 15 and  name H3' ) (resid 15 and  name H8  ) 4.25 1.25 1.25
assign (resid 15 and  name H8  ) (resid 16 and  name H6  ) 4.25 1.25 1.25
!
!
assign (resid 16 and  name H1' ) (resid 16 and  name H6  ) 3.75 1.25 1.25
assign (resid 16 and  name H1' ) (resid 17 and  name H6  ) 4.25 1.25 1.25
assign (resid 16 and  name H2' ) (resid 16 and  name H6  ) 2.85 0.85 0.85
assign (resid 16 and  name H2' ) (resid 17 and  name H6  ) 2.85 0.85 0.85
!
!
assign (resid 17 and  name H1' ) (resid 17 and  name H6  ) 3.75 1.25 1.25
assign (resid 17 and  name H1' ) (resid 18 and  name H8  ) 4.25 1.25 1.25
assign (resid 17 and  name H2' ) (resid 17 and  name H6  ) 3.75 1.25 1.25
assign (resid 17 and  name H2' ) (resid 18 and  name H8  ) 3.75 1.25 1.25
assign (resid 17 and  name H5  ) (resid 18 and  name H8  ) 4.25 1.25 1.25
!
!
assign (resid 18 and  name H1' ) (resid 18 and  name H8  ) 3.75 1.25 1.25
assign (resid 18 and  name H1' ) (resid 19 and  name H8  ) 4.25 1.25 1.25
assign (resid 18 and  name H2' ) (resid 18 and  name H8  ) 3.75 1.25 1.25
assign (resid 18 and  name H2' ) (resid 19 and  name H8  ) 3.75 1.25 1.25
assign (resid 18 and  name H3' ) (resid 18 and  name H8  ) 3.75 1.25 1.25
assign (resid 18 and  name H3' ) (resid 19 and  name H8  ) 3.75 1.25 1.25
!
!
assign (resid 19 and  name H1' ) (resid 19 and  name H8  ) 3.75 1.25 1.25
assign (resid 19 and  name H1' ) (resid 20 and  name H8  ) 4.25 1.25 1.25
assign (resid 19 and  name H2' ) (resid 19 and  name H8  ) 3.75 1.25 1.25
assign (resid 19 and  name H2' ) (resid 20 and  name H8  ) 3.75 1.25 1.25
assign (resid 19 and  name H3' ) (resid 19 and  name H8  ) 3.75 1.25 1.25
assign (resid 19 and  name H3' ) (resid 20 and  name H8  ) 2.85 0.85 0.85
!
!
assign (resid 20 and  name H1' ) (resid 20 and  name H8  ) 3.75 1.25 1.25
assign (resid 20 and  name H1' ) (resid 21 and  name H8  ) 4.25 1.25 1.25
assign (resid 20 and  name H2' ) (resid 20 and  name H8  ) 3.75 1.25 1.25
assign (resid 20 and  name H2' ) (resid 21 and  name H8  ) 2.85 0.85 0.85
assign (resid 20 and  name H3' ) (resid 20 and  name H8  ) 4.25 1.25 1.25
assign (resid 20 and  name H3' ) (resid 21 and  name H8  ) 4.25 1.25 1.25
!
!
assign (resid 21 and  name H1' ) (resid 21 and  name H8  ) 3.75 1.25 1.25
assign (resid 21 and  name H1' ) (resid 22 and  name H8  ) 4.25 1.25 1.25
assign (resid 21 and  name H2' ) (resid 21 and  name H8  ) 4.25 1.25 1.25
assign (resid 21 and  name H2' ) (resid 22 and  name H8  ) 3.75 1.25 1.25
assign (resid 21 and  name H3' ) (resid 21 and  name H8  ) 2.85 0.85 0.85
assign (resid 21 and  name H3' ) (resid 22 and  name H8  ) 2.85 0.85 0.85
!
!
assign (resid 22 and  name H1' ) (resid 22 and  name H8  ) 3.75 1.25 1.25
assign (resid 22 and  name H1' ) (resid 23 and  name H8  ) 4.25 1.25 1.25
assign (resid 22 and  name H2' ) (resid 22 and  name H8  ) 2.85 0.85 0.85
assign (resid 22 and  name H2' ) (resid 23 and  name H8  ) 3.75 1.25 1.25
!
!
assign (resid 23 and  name H1' ) (resid 23 and  name H8  ) 3.75 1.25 1.25
assign (resid 23 and  name H1' ) (resid 24 and  name H6  ) 4.25 1.25 1.25
assign (resid 23 and  name H2' ) (resid 23 and  name H8  ) 4.25 1.25 1.25
assign (resid 23 and  name H2' ) (resid 24 and  name H6  ) 3.75 1.25 1.25
assign (resid 23 and  name H3' ) (resid 23 and  name H8  ) 3.75 1.25 1.25
assign (resid 23 and  name H3' ) (resid 24 and  name H6  ) 3.75 1.25 1.25
assign (resid 23 and  name H8  ) (resid 24 and  name H6  ) 4.25 1.25 1.25
!
!
assign (resid 24 and  name H1' ) (resid 24 and  name H6  ) 3.75 1.25 1.25
assign (resid 24 and  name H1' ) (resid 25 and  name H6  ) 4.25 1.25 1.25
assign (resid 24 and  name H2' ) (resid 24 and  name H6  ) 5.00 1.00 1.00 
assign (resid 24 and  name H2' ) (resid 25 and  name H6  ) 2.85 0.85 0.85
assign (resid 24 and  name H3' ) (resid 24 and  name H6  ) 3.75 1.25 1.25
assign (resid 24 and  name H6  ) (resid 25 and  name H5  ) 4.25 1.25 1.25
!
!
assign (resid 25 and  name H1' ) (resid 25 and  name H6  ) 4.25 1.25 1.25
assign (resid 25 and  name H1' ) (resid 26 and  name H8  ) 4.25 1.25 1.25
assign (resid 25 and  name H2' ) (resid 25 and  name H6  ) 4.25 1.25 1.25 
assign (resid 25 and  name H3' ) (resid 25 and  name H6  ) 3.75 1.25 1.25
!
!
assign (resid 26 and  name H1' ) (resid 26 and  name H8  ) 3.75 1.25 1.25
assign (resid 26 and  name H1' ) (resid 27 and  name H8  ) 4.25 1.25 1.25
assign (resid 26 and  name H2' ) (resid 26 and  name H8  ) 4.25 1.25 1.25  
!
!
assign (resid 27 and  name H1' ) (resid 27 and  name H8  ) 3.75 1.25 1.25
assign (resid 27 and  name H1' ) (resid 28 and  name H8  ) 4.25 1.25 1.25
assign (resid 27 and  name H2' ) (resid 28 and  name H8  ) 4.25 1.25 1.25 
!
!
assign (resid 28 and  name H1' ) (resid 28 and  name H8  ) 4.25 1.25 1.25
assign (resid 28 and  name H1' ) (resid 29 and  name H8  ) 4.25 1.25 1.25
assign (resid 28 and  name H2' ) (resid 29 and  name H8  ) 4.25 1.25 1.25
assign (resid 28 and  name H2' ) (resid 29 and  name H8  ) 4.25 1.25 1.25 
!
!
assign (resid 29 and  name H1' ) (resid 29 and  name H8  ) 4.25 1.25 1.25
assign (resid 29 and  name H1' ) (resid 30 and  name H8  ) 4.25 1.25 1.25 
!
!
assign (resid 30 and  name H1' ) (resid 30 and  name H8  ) 4.25 1.25 1.25
assign (resid 30 and  name H1' ) (resid 31 and  name H6  ) 4.25 1.25 1.25
assign (resid 30 and  name H2' ) (resid 30 and  name H8  ) 3.75 1.25 1.25 
assign (resid 30 and  name H2' ) (resid 31 and  name H6  ) 3.75 1.25 1.25
!
!
assign (resid 31 and  name H1' ) (resid 31 and  name H6  ) 4.25 1.25 1.25
assign (resid 31 and  name H1' ) (resid 32 and  name H8  ) 4.25 1.25 1.25
assign (resid 31 and  name H2' ) (resid 31 and  name H6  ) 3.75 1.25 1.25
assign (resid 31 and  name H2' ) (resid 32 and  name H8  ) 4.25 1.25 1.25
assign (resid 31 and  name H3' ) (resid 32 and  name H8  ) 4.25 1.25 1.25
!
!
assign (resid 32 and  name H1' ) (resid 32 and  name H8  ) 3.75 1.25 1.25
assign (resid 32 and  name H1' ) (resid 33 and  name H6  ) 4.25 1.25 1.25
assign (resid 32 and  name H2' ) (resid 32 and  name H8  ) 3.75 1.25 1.25 
assign (resid 32 and  name H2' ) (resid 33 and  name H6  ) 3.75 1.25 1.25
assign (resid 32 and  name H3' ) (resid 32 and  name H8  ) 4.25 1.25 1.25
assign (resid 32 and  name H3' ) (resid 33 and  name H6  ) 4.25 1.25 1.25
assign (resid 32 and  name H8  ) (resid 33 and  name H5  ) 4.25 1.25 1.25
!
!
!bad overlap in selfs 33&34
assign (resid 33 and  name H1' ) (resid 33 and  name H6  ) 4.25 1.25 1.25 
assign (resid 33 and  name H1' ) (resid 34 and  name H6  ) 4.25 1.25 1.25 
assign (resid 33 and  name H2' ) (resid 33 and  name H6  ) 4.25 1.25 1.25  
!
!
assign (resid 34 and  name H1' ) (resid 34 and  name H6  ) 3.75 1.25 1.25
assign (resid 34 and  name H1' ) (resid 35 and  name H8  ) 4.25 1.25 1.25
assign (resid 34 and  name H2' ) (resid 35 and  name H8  ) 3.75 1.25 1.25
assign (resid 34 and  name H5  ) (resid 35 and  name H8  ) 5.00 1.00 1.00
!
!
assign (resid 35 and  name H1' ) (resid 35 and  name H8  ) 3.75 1.25 1.25
assign (resid 35 and  name H1' ) (resid 36 and  name H6  ) 4.25 1.25 1.25
assign (resid 35 and  name H2' ) (resid 36 and  name H6  ) 3.75 1.25 1.25
assign (resid 35 and  name H8  ) (resid 36 and  name H5  ) 4.25 1.25 1.25
!
!
assign (resid 36 and  name H1' ) (resid 36 and  name H6  ) 3.75 1.25 1.25
assign (resid 36 and  name H1' ) (resid 37 and  name H6  ) 4.25 1.25 1.25
assign (resid 36 and  name H2' ) (resid 37 and  name H6  ) 4.25 1.25 1.25
!
!
assign (resid 37 and  name H1' ) (resid 37 and  name H6  ) 3.75 1.25 1.25
assign (resid 37 and  name H1' ) (resid 38 and  name H6  ) 4.25 1.25 1.25
assign (resid 37 and  name H2' ) (resid 38 and  name H6  ) 4.25 1.25 1.25
!
!
assign (resid 38 and  name H1' ) (resid 38 and  name H6  ) 3.75 1.25 1.25
assign (resid 38 and  name H2' ) (resid 38 and  name H6  ) 2.85 0.85 0.85
!
!
!  "H1'-H2' Intra-residue NOEs"
assign (resid 1  and  name H1' ) (resid 1  and  name H2'  ) 3.75 1.25 1.25
assign (resid 2  and  name H1' ) (resid 2  and  name H2'  ) 3.75 1.25 1.25
assign (resid 3  and  name H1' ) (resid 3  and  name H2'  ) 3.75 1.25 1.25
assign (resid 4  and  name H1' ) (resid 4  and  name H2'  ) 3.75 1.25 1.25
assign (resid 5  and  name H1' ) (resid 5  and  name H2'  ) 3.75 1.25 1.25
assign (resid 6  and  name H1' ) (resid 6  and  name H2'  ) 3.75 1.25 1.25
assign (resid 7  and  name H1' ) (resid 7  and  name H2'  ) 3.75 1.25 1.25
assign (resid 8  and  name H1' ) (resid 8  and  name H2'  ) 3.75 1.25 1.25
assign (resid 9  and  name H1' ) (resid 9  and  name H2'  ) 3.75 1.25 1.25
assign (resid 10 and  name H1' ) (resid 10 and  name H2'  ) 3.75 1.25 1.25
assign (resid 11 and  name H1' ) (resid 11 and  name H2'  ) 3.75 1.25 1.25
assign (resid 12 and  name H1' ) (resid 12 and  name H2'  ) 4.25 1.25 1.25
assign (resid 13 and  name H1' ) (resid 13 and  name H2'  ) 3.75 1.25 1.25
assign (resid 14 and  name H1' ) (resid 14 and  name H2'  ) 3.75 1.25 1.25
assign (resid 15 and  name H1' ) (resid 15 and  name H2'  ) 3.75 1.25 1.25
assign (resid 16 and  name H1' ) (resid 16 and  name H2'  ) 3.75 1.25 1.25
assign (resid 17 and  name H1' ) (resid 17 and  name H2'  ) 3.75 1.25 1.25
assign (resid 18 and  name H1' ) (resid 18 and  name H2'  ) 3.75 1.25 1.25
assign (resid 19 and  name H1' ) (resid 19 and  name H2'  ) 3.75 1.25 1.25
assign (resid 20 and  name H1' ) (resid 20 and  name H2'  ) 3.75 1.25 1.25
assign (resid 21 and  name H1' ) (resid 21 and  name H2'  ) 3.75 1.25 1.25
assign (resid 23 and  name H1' ) (resid 23 and  name H2'  ) 3.75 1.25 1.25
assign (resid 24 and  name H1' ) (resid 24 and  name H2'  ) 3.75 1.25 1.25
assign (resid 25 and  name H1' ) (resid 25 and  name H2'  ) 3.75 1.25 1.25
assign (resid 26 and  name H1' ) (resid 26 and  name H2'  ) 4.25 1.25 1.25
assign (resid 27 and  name H1' ) (resid 27 and  name H2'  ) 3.75 1.25 1.25
assign (resid 28 and  name H1' ) (resid 28 and  name H2'  ) 3.75 1.25 1.25
assign (resid 29 and  name H1' ) (resid 29 and  name H2'  ) 3.75 1.25 1.25
assign (resid 30 and  name H1' ) (resid 30 and  name H2'  ) 3.75 1.25 1.25
assign (resid 31 and  name H1' ) (resid 31 and  name H2'  ) 4.25 1.25 1.25
assign (resid 32 and  name H1' ) (resid 32 and  name H2'  ) 3.75 1.25 1.25
assign (resid 33 and  name H1' ) (resid 33 and  name H2'  ) 3.75 1.25 1.25
assign (resid 34 and  name H1' ) (resid 34 and  name H2'  ) 3.75 1.25 1.25
assign (resid 35 and  name H1' ) (resid 35 and  name H2'  ) 3.75 1.25 1.25
assign (resid 36 and  name H1' ) (resid 36 and  name H2'  ) 3.75 1.25 1.25
assign (resid 37 and  name H1' ) (resid 37 and  name H2'  ) 3.75 1.25 1.25
assign (resid 38 and  name H1' ) (resid 38 and  name H2'  ) 3.75 1.25 1.25
!
!
!  "Regular" AH2 NOEs
assign (resid 6  and  name H2  ) (resid 7  and  name H1'  ) 4.25 1.25 1.25
assign (resid 11 and  name H2  ) (resid 11 and  name H1'  ) 4.25 1.25 1.25
assign (resid 11 and  name H2  ) (resid 26 and  name H1'  ) 4.25 1.25 1.25
assign (resid 11 and  name H2  ) (resid 12 and  name H1'  ) 5.00 1.00 1.00
assign (resid 13 and  name H2  ) (resid 13 and  name H1'  ) 5.00 1.00 1.00
assign (resid 13 and  name H2  ) (resid 14 and  name H1'  ) 3.75 1.25 1.25
assign (resid 19 and  name H2  ) (resid 19 and  name H1'  ) 4.25 1.25 1.25
assign (resid 19 and  name H2  ) (resid 20 and  name H1'  ) 3.75 1.25 1.25
assign (resid 21 and  name H2  ) (resid 21 and  name H1'  ) 5.00 1.00 1.00
assign (resid 21 and  name H2  ) (resid 20 and  name H1'  ) 4.25 1.25 1.25
assign (resid 21 and  name H2  ) (resid 22 and  name H1'  ) 4.25 1.25 1.25
assign (resid 23 and  name H2  ) (resid 23 and  name H1'  ) 4.25 1.25 1.25
assign (resid 23 and  name H2  ) (resid 24 and  name H1'  ) 3.75 1.25 1.25
assign (resid 23 and  name H2  ) (resid 17 and  name H1'  ) 3.75 1.25 1.25
assign (resid 28 and  name H2  ) (resid 9  and  name H1'  ) 3.75 1.25 1.25
assign (resid 28 and  name H2  ) (resid 29 and  name H1'  ) 4.25 1.25 1.25
assign (resid 28 and  name H2  ) (resid 28 and  name H1'  ) 5.00 1.00 1.00
assign (resid 30 and  name H2  ) (resid 7  and  name H1'  ) 3.75 1.25 1.25
assign (resid 30 and  name H2  ) (resid 30 and  name H1'  ) 5.00 1.00 1.00
assign (resid 32 and  name H2  ) (resid 33 and  name H1'  ) 3.75 1.25 1.25
assign (resid 32 and  name H2  ) (resid 32 and  name H1'  ) 5.00 1.00 1.00
assign (resid 35 and  name H2  ) (resid 35 and  name H1'  ) 4.25 1.25 1.25
assign (resid 35 and  name H2  ) (resid 36 and  name H1'  ) 3.75 1.25 1.25
assign (resid 35 and  name H2  ) (resid 5  and  name H1'  ) 3.75 1.25 1.25
!
!
!  H1' & H5 -> H1' & H5 NOEs
assign (resid 3  and  name H1' ) (resid 4  and  name H1'  ) 5.00 1.00 1.00
assign (resid 7  and  name H1' ) (resid 8  and  name H5   ) 5.00 1.00 1.00
assign (resid 9  and  name H1' ) (resid 10 and  name H1'  ) 4.25 1.25 1.25
assign (resid 9  and  name H1' ) (resid 10 and  name H5   ) 5.00 1.00 1.00
assign (resid 9  and  name H5  ) (resid 10 and  name H5   ) 4.25 1.25 1.25
assign (resid 10 and  name H1' ) (resid 11 and  name H1'  ) 5.00 1.00 1.00
assign (resid 15 and  name H1' ) (resid 16 and  name H5   ) 4.25 1.25 1.25
assign (resid 16 and  name H1' ) (resid 16 and  name H5   ) 4.25 1.25 1.25
assign (resid 16 and  name H5  ) (resid 17 and  name H5   ) 4.25 1.25 1.25
assign (resid 19 and  name H1' ) (resid 20 and  name H1'  ) 5.00 1.00 1.00
assign (resid 20 and  name H1' ) (resid 21 and  name H1'  ) 4.25 1.25 1.25
assign (resid 23 and  name H1' ) (resid 24 and  name H5   ) 4.25 1.25 1.25
assign (resid 23 and  name H1' ) (resid 24 and  name H1'  ) 5.00 1.00 1.00
assign (resid 24 and  name H5  ) (resid 25 and  name H5   ) 4.25 1.25 1.25
assign (resid 31 and  name H1' ) (resid 32 and  name H1'  ) 5.00 1.00 1.00
assign (resid 33 and  name H1' ) (resid 34 and  name H5   ) 5.00 1.00 1.00
assign (resid 33 and  name H5  ) (resid 34 and  name H5   ) 5.00 1.00 1.00
assign (resid 35 and  name H1' ) (resid 36 and  name H1'  ) 4.25 1.25 1.25
assign (resid 36 and  name H5  ) (resid 36 and  name H1'  ) 5.00 1.00 1.00
assign (resid 36 and  name H5  ) (resid 37 and  name H5   ) 4.25 1.25 1.25
!
!
!  Aro. -> Aro. NOEs
assign (resid 1  and  name H8  ) (resid 2  and  name H8   ) 5.00 1.00 1.00
assign (resid 2  and  name H8  ) (resid 3  and  name H8   ) 5.00 1.00 1.00
assign (resid 10 and  name H6  ) (resid 11 and  name H8   ) 5.00 1.00 1.00
assign (resid 11 and  name H8  ) (resid 12 and  name H8   ) 5.00 1.00 1.00
assign (resid 13 and  name H8  ) (resid 14 and  name H8   ) 5.00 1.00 1.00
assign (resid 15 and  name H8  ) (resid 16 and  name H6   ) 5.00 1.00 1.00
assign (resid 17 and  name H6  ) (resid 18 and  name H8   ) 5.00 1.00 1.00
assign (resid 19 and  name H8  ) (resid 20 and  name H8   ) 5.00 1.00 1.00
assign (resid 20 and  name H8  ) (resid 21 and  name H8   ) 5.00 1.00 1.00
assign (resid 21 and  name H8  ) (resid 22 and  name H8   ) 5.00 1.00 1.00
assign (resid 23 and  name H8  ) (resid 24 and  name H6   ) 5.00 1.00 1.00
assign (resid 26 and  name H8  ) (resid 27 and  name H8   ) 5.00 1.00 1.00
assign (resid 27 and  name H8  ) (resid 28 and  name H8   ) 5.00 1.00 1.00
assign (resid 30 and  name H8  ) (resid 31 and  name H6   ) 5.00 1.00 1.00
assign (resid 32 and  name H8  ) (resid 33 and  name H6   ) 5.00 1.00 1.00
assign (resid 34 and  name H6  ) (resid 35 and  name H8   ) 5.00 1.00 1.00
assign (resid 35 and  name H8  ) (resid 36 and  name H6   ) 5.00 1.00 1.00
!
!
!  h1' -> ribose 
assign (resid 31 and  name H2' ) (resid 32 and  name H1'  ) 5.00 1.00 1.00
assign (resid 30 and  name H2' ) (resid 31 and  name H1'  ) 4.25 1.25 1.25
assign (resid 13 and  name H3' ) (resid 14 and  name H1'  ) 5.00 1.00 1.00
assign (resid 14 and  name H2' ) (resid 15 and  name H1'  ) 5.00 1.00 1.00
!
!  3d-ribose
assign (resid 11 and  name H2' ) (resid 12 and  name H1'  ) 3.75 1.00 1.75
assign (resid 11 and  name H2' ) (resid 12 and  name H3'  ) 3.75 1.00 1.75
assign (resid 13 and  name H1' ) (resid 14 and  name H2'  ) 3.75 1.00 1.75
assign (resid 31 and  name H2' ) (resid 32 and  name H2'  ) 3.75 1.00 1.75
assign (resid 21 and  name H1' ) (resid 22 and  name H2'  ) 3.75 1.00 1.75
assign (resid 21 and  name H2' ) (resid 21 and  name H2   ) 3.75 1.00 1.75
assign (resid 20 and  name H2' ) (resid 21 and  name H1'  ) 3.75 1.00 1.75
assign (resid 19 and  name H2' ) (resid 20 and  name H1'  ) 3.75 1.00 1.75
assign (resid 2  and  name H2' ) (resid 3  and  name H1'  ) 3.75 1.00 1.75
assign (resid 6  and  name H2' ) (resid 7  and  name H1'  ) 3.75 1.00 1.75
!
!  imino->imino
assign (resid 3  and  name H1  ) (resid 4  and  name H3    ) 4.0 1.5 2.0
assign (resid 15 and  name H1  ) (resid 16 and  name H3    ) 4.0 1.5 2.0
assign (resid 16 and  name H3  ) (resid 22 and  name H1    ) 4.0 1.5 2.0
!
!  imino->x
assign (resid 14 and  name H1  ) (resid 13 and  name H1'  ) 4.0 1.5 2.0
assign (resid 14 and  name H1  ) (resid 26 and  name H1'  ) 4.0 1.5 2.0
assign (resid 18 and  name H1  ) (resid 21 and  name H2   ) 4.0 1.5 2.0
assign (resid 18 and  name H1  ) (resid 21 and  name H8   ) 4.0 1.5 2.0
assign (resid 18 and  name H1  ) (resid 21 and  name H1'  ) 4.0 1.5 2.0
assign (resid 26 and  name H1  ) (resid 11 and  name H1'  ) 4.0 1.5 2.0
assign (resid 26 and  name H1  ) (resid 11 and  name H8   ) 4.0 1.5 2.0
!
!
!  "Unusual" NOEs
assign (resid 7  and  name H1' ) (resid 30 and  name H2   ) 3.75 1.25 1.25
assign (resid 7  and  name H1' ) (resid 32 and  name H2   ) 4.25 1.25 1.25
assign (resid 8  and  name H1' ) (resid 32 and  name H2   ) 3.75 1.25 1.25 
assign (resid 12 and  name H8  ) (resid 14 and  name H1'  ) 5.00 1.00 1.00
assign (resid 12 and  name H1' ) (resid 14 and  name H1'  ) 5.00 1.00 1.00
assign (resid 12 and  name H1' ) (resid 14 and  name H3'  ) 5.00 1.00 1.00
assign (resid 12 and  name H2' ) (resid 14 and  name H1'  ) 5.00 1.00 1.00
assign (resid 12 and  name H2' ) (resid 14 and  name H8   ) 4.25 1.25 1.25 
!12h2'-14h8 is from 3d but very weak so i put it in as weak
assign (resid 13 and  name H2  ) (resid 27 and  name H1'  ) 4.25 1.25 1.25 
assign (resid 18 and  name H1' ) (resid 20 and  name H8   ) 5.00 0.5  1.50 
assign (resid 22 and  name H1' ) (resid 21 and  name H8   ) 3.75 1.25 1.25 
assign (resid 33 and  name H1' ) (resid 32 and  name H8   ) 5.00 1.00 1.00   
!
!
!  basepair distances
!
!1-38 GC WC 
assign (resid 1 and name H1 ) (resid 38 and name N3 ) 1.95 0.1 0.1 
assign (resid 1 and name O6  ) (resid 38 and name H42 ) 1.91 0.1 0.1
assign (resid 1 and name H22 ) (resid 38 and name O2 ) 1.86 0.1 0.1
assign (resid 1 and name N1 ) (resid 38 and name N3 ) 2.95 0.1 0.1 
assign (resid 1 and name O6  ) (resid 38 and name N4  ) 2.91 0.1 0.1
assign (resid 1 and name N2  ) (resid 38 and name O2 ) 2.86 0.1 0.1  

!
!2-37 GC WC 
assign (resid 2 and name H1 ) (resid 37 and name N3 ) 1.95 0.1 0.1 
assign (resid 2 and name O6  ) (resid 37 and name H42 ) 1.91 0.1 0.1
assign (resid 2 and name H22 ) (resid 37 and name O2 ) 1.86 0.1 0.1 
assign (resid 2 and name N1 ) (resid 37 and name N3 ) 2.95 0.1 0.1 
assign (resid 2 and name O6  ) (resid 37 and name N4  ) 2.91 0.1 0.1
assign (resid 2 and name N2  ) (resid 37 and name O2 ) 2.86 0.1 0.1 
!
!3-36 GC WC 
assign (resid 3 and name H1 ) (resid 36 and name N3 ) 1.95 0.1 0.1 
assign (resid 3 and name O6  ) (resid 36 and name H42 ) 1.91 0.1 0.1
assign (resid 3 and name H22 ) (resid 36 and name O2 ) 1.86 0.1 0.1
assign (resid 3 and name N1 ) (resid 36 and name N3 ) 2.95 0.1 0.1 
assign (resid 3 and name O6  ) (resid 36 and name N4  ) 2.91 0.1 0.1
assign (resid 3 and name N2  ) (resid 36 and name O2 ) 2.86 0.1 0.1  
!
!4-35 AU WC
assign (resid 35  and name N1 ) (resid 4 and name H3 ) 1.82 0.1 0.1
assign (resid 35  and name H62 ) (resid 4 and name O4 ) 1.95 0.1 0.1
assign (resid 35  and name N1 ) (resid 4 and name N3 ) 2.82 0.1 0.1
assign (resid 35  and name N6 ) (resid 4 and name O4 ) 2.95 0.1 0.1
!
!5-34 GC WC 
assign (resid 5 and name H1 ) (resid 34 and name N3 ) 1.95 0.1 0.1 
assign (resid 5 and name O6  ) (resid 34 and name H42 ) 1.91 0.1 0.1
assign (resid 5 and name H22 ) (resid 34 and name O2 ) 1.86 0.1 0.1 
assign (resid 5 and name N1 ) (resid 34 and name N3 ) 2.95 0.1 0.1 
assign (resid 5 and name O6  ) (resid 34 and name N4  ) 2.91 0.1 0.1
assign (resid 5 and name N2  ) (resid 34 and name O2 ) 2.86 0.1 0.1
!
!
!6-33 AU WC
assign (resid 6  and name N1 ) (resid 33 and name H3 ) 1.82 0.1 0.1
assign (resid 6  and name H62 ) (resid 33 and name O4 ) 1.95 0.1 0.1
assign (resid 6  and name N1 ) (resid 33 and name N3 ) 2.82 0.1 0.1
assign (resid 6  and name N6 ) (resid 33 and name O4 ) 2.95 0.1 0.1
!
!
!7-29 CG WC 
assign (resid 29 and name H1 ) (resid 7 and name N3 ) 1.95 0.1 0.1 
assign (resid 29 and name O6  ) (resid 7 and name H42 ) 1.91 0.1 0.1
assign (resid 29 and name H22 ) (resid 7 and name O2 ) 1.86 0.1 0.1
assign (resid 29 and name N1 ) (resid 7 and name N3 ) 2.95 0.1 0.1 
assign (resid 29 and name O6  ) (resid 7 and name N4  ) 2.91 0.1 0.1
assign (resid 29 and name N2  ) (resid 7 and name O2 ) 2.86 0.1 0.1
!
!
!8-28 UA WC
assign (resid 28 and name N1 ) (resid 8 and name H3 ) 1.82 0.1 0.1
assign (resid 28 and name H62 ) (resid 8 and name O4 ) 1.95 0.1 0.1
assign (resid 28  and name N1 ) (resid 8 and name N3 ) 2.82 0.1 0.1
assign (resid 28  and name N6 ) (resid 8 and name O4 ) 2.95 0.1 0.1
!
!
!9-27 CG WC 
assign (resid 27 and name H1 ) (resid 9 and name N3 ) 1.95 0.1 0.1 
assign (resid 27 and name O6  ) (resid 9 and name H42 ) 1.91 0.1 0.1
assign (resid 27 and name H22 ) (resid 9 and name O2 ) 1.86 0.1 0.1
assign (resid 27 and name N1 ) (resid 9 and name N3 ) 2.95 0.1 0.1 
assign (resid 27 and name O6  ) (resid 9 and name N4  ) 2.91 0.1 0.1
assign (resid 27 and name N2  ) (resid 9 and name O2 ) 2.86 0.1 0.1 
!
!
!10-26 CG WC 
assign (resid 26 and name H1 ) (resid 10 and name N3 ) 1.95 0.1 0.1 
assign (resid 26 and name O6  ) (resid 10 and name H42 ) 1.91 0.1 0.1
assign (resid 26 and name H22 ) (resid 10 and name O2 ) 1.86 0.1 0.1
assign (resid 26 and name N1 ) (resid 10 and name N3 ) 2.91 0.1 0.1 
assign (resid 26 and name O6  ) (resid 10 and name N4  ) 2.91 0.1 0.1
assign (resid 26 and name N2  ) (resid 10 and name O2 ) 2.86 0.1 0.1  
!
!
!14-25 GC WC 
assign (resid 14 and name H1 ) (resid 25 and name N3 ) 1.95 0.1 0.1 
assign (resid 14 and name O6  ) (resid 25 and name H42 ) 1.91 0.1 0.1
assign (resid 14 and name H22 ) (resid 25 and name O2 ) 1.86 0.1 0.1
assign (resid 14 and name N1 ) (resid 25 and name N3 ) 2.95 0.1 0.1 
assign (resid 14 and name O6  ) (resid 25 and name N4  ) 2.91 0.1 0.1
assign (resid 14 and name N2  ) (resid 25 and name O2 ) 2.86 0.1 0.1   
!
!
!15-24 GC WC 
assign (resid 15 and name H1 ) (resid 24 and name N3 ) 1.95 0.1 0.1 
assign (resid 15 and name O6  ) (resid 24 and name H42 ) 1.91 0.1 0.1
assign (resid 15 and name H22 ) (resid 24 and name O2 ) 1.86 0.1 0.1
assign (resid 15 and name N1 ) (resid 24 and name N3 ) 2.95 0.1 0.1 
assign (resid 15 and name O6  ) (resid 24 and name N4  ) 2.91 0.1 0.1
assign (resid 15 and name N2  ) (resid 24 and name O2 ) 2.86 0.1 0.1
!
!
!16-23 AU WC
assign (resid 23  and name N1 ) (resid 16 and name H3 ) 1.82 0.1 0.1
assign (resid 23  and name H62 ) (resid 16 and name O4 ) 1.95 0.1 0.1
assign (resid 23  and name N1 ) (resid 16 and name N3 ) 2.82 0.1 0.1
assign (resid 23  and name N6 ) (resid 16 and name O4 ) 2.95 0.1 0.1
!
!
!17-22 GC WC 
assign (resid 22 and name H1 ) (resid 17 and name N3 ) 1.95 0.1 0.1 
assign (resid 22 and name O6  ) (resid 17 and name H42 ) 1.91 0.1 0.1
assign (resid 22 and name H22 ) (resid 17 and name O2 ) 1.86 0.1 0.1
assign (resid 22 and name N1 ) (resid 17 and name N3 ) 2.95 0.1 0.1 
assign (resid 22 and name O6  ) (resid 17 and name N4  ) 2.91 0.1 0.1
assign (resid 22 and name N2  ) (resid 17 and name O2 ) 2.86 0.1 0.1 
!
!
!18-21 GA (G18-A21) type II GA from R. Gutell and A. Pardi JMB 264 p968-980
assign (resid 18 and name N3  ) (resid 21 and name H61 ) 2.00 0.1 0.1
assign (resid 18 and name N3  ) (resid 21 and name N6 ) 3.00 0.1 0.1
assign (resid 18 and name H21 ) (resid 21 and name N7 ) 2.00 0.1 0.1
assign (resid 18 and name N2 ) (resid 21 and name N7 ) 3.00 0.1 0.1
assign (resid 18 and name HO2' ) (resid 20 and name N7 ) 2.00 0.2 0.2
assign (resid 18 and name O2' ) (resid 20 and name N7 ) 3.00 0.2 0.2
! 
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  24.545  14.100 -10.575
    2   2H5*    G   1          2H5*        G   1  24.477  12.545  -9.761
    3    H4*    G   1           H4*        G   1  25.780  13.880  -8.415
    4    H3*    G   1           H3*        G   1  23.047  13.828  -7.118
    5    H2*    G   1           H2*        G   1  24.148  14.757  -5.254
    6   2HO*    G   1          2HO*        G   1  26.344  13.818  -5.422
    7    H1*    G   1           H1*        G   1  25.406  16.661  -6.850
    8    H8     G   1           H8         G   1  22.029  16.207  -8.364
    9    H1     G   1           H1         G   1  22.113  19.965  -3.132
   10   1H2     G   1          1H2         G   1  24.981  18.657  -2.616
   11   2H2     G   1          2H2         G   1  23.659  19.758  -2.131
   12    H5T    G   1           H5T        G   1  22.351  13.062  -9.067
   13   1H5*    G   2          1H5*        G   2  25.407  12.255  -4.343
   14   2H5*    G   2          2H5*        G   2  24.749  10.795  -3.602
   15    H4*    G   2           H4*        G   2  25.166  12.299  -1.888
   16    H3*    G   2           H3*        G   2  22.179  12.326  -2.370
   17    H2*    G   2           H2*        G   2  22.090  13.493  -0.311
   18   2HO*    G   2          2HO*        G   2  24.084  12.502   0.756
   19    H1*    G   2           H1*        G   2  24.094  15.236  -1.130
   20    H8     G   2           H8         G   2  22.036  14.442  -4.174
   21    H1     G   2           H1         G   2  19.383  18.702  -0.144
   22   1H2     G   2          1H2         G   2  21.457  17.607   1.946
   23   2H2     G   2          2H2         G   2  20.122  18.702   1.501
   24   1H5*    G   3          1H5*        G   3  22.837  11.174   1.459
   25   2H5*    G   3          2H5*        G   3  21.882   9.773   1.948
   26    H4*    G   3           H4*        G   3  21.537  11.472   3.519
   27    H3*    G   3           H3*        G   3  19.061  11.209   1.795
   28    H2*    G   3           H2*        G   3  18.047  12.609   3.396
   29   2HO*    G   3          2HO*        G   3  19.524  11.774   5.299
   30    H1*    G   3           H1*        G   3  20.202  14.376   3.419
   31    H8     G   3           H8         G   3  19.805  13.349  -0.160
   32    H1     G   3           H1         G   3  15.580  17.796   1.796
   33   1H2     G   3          1H2         G   3  16.508  16.964   4.759
   34   2H2     G   3          2H2         G   3  15.511  17.945   3.647
   35   1H5*    U   4          1H5*        U   4  17.756  10.643   5.417
   36   2H5*    U   4          2H5*        U   4  16.722   9.231   5.614
   37    H4*    U   4           H4*        U   4  15.508  11.071   6.349
   38    H3*    U   4           H3*        U   4  14.454  10.305   3.619
   39    H2*    U   4           H2*        U   4  12.705  11.782   4.111
   40   2HO*    U   4          2HO*        U   4  12.764  11.379   6.606
   41    H1*    U   4           H1*        U   4  14.461  13.753   5.059
   42    H3     U   4           H3         U   4  12.788  15.441   1.122
   43    H5     U   4           H5         U   4  15.742  12.811  -0.073
   44    H6     U   4           H6         U   4  15.885  11.983   2.212
   45   1H5*    G   5          1H5*        G   5  11.454   9.805   6.410
   46   2H5*    G   5          2H5*        G   5  10.436   8.398   6.106
   47    H4*    G   5           H4*        G   5   9.066  10.272   6.206
   48    H3*    G   5           H3*        G   5   9.281   9.445   3.303
   49    H2*    G   5           H2*        G   5   7.492  11.006   2.996
   50   2HO*    G   5          2HO*        G   5   6.560  10.742   5.336
   51    H1*    G   5           H1*        G   5   8.826  12.981   4.330
   52    H8     G   5           H8         G   5  11.393  10.775   2.620
   53    H1     G   5           H1         G   5   8.673  15.128  -1.244
   54   1H2     G   5          1H2         G   5   6.423  15.282   0.979
   55   2H2     G   5          2H2         G   5   7.064  15.711  -0.626
   56   1H5*    A   6          1H5*        A   6   5.439   9.233   4.497
   57   2H5*    A   6          2H5*        A   6   4.444   7.934   3.865
   58    H4*    A   6           H4*        A   6   3.604  10.146   3.487
   59    H3*    A   6           H3*        A   6   2.941   8.298   1.794
   60    H2*    A   6           H2*        A   6   5.145   8.527   0.662
   61   2HO*    A   6          2HO*        A   6   3.972  10.276  -1.157
   62    H1*    A   6           H1*        A   6   4.382  11.480   0.479
   63    H8     A   6           H8         A   6   7.810   9.687   1.281
   64   1H6     A   6          1H6         A   6  10.090  11.124  -3.068
   65   2H6     A   6          2H6         A   6   9.262  12.139  -4.281
   66    H2     A   6           H2         A   6   5.444  13.339  -3.468
   67   1H5*    C   7          1H5*        C   7   1.839  11.698  -0.763
   68   2H5*    C   7          2H5*        C   7   0.094  11.910  -1.002
   69    H4*    C   7           H4*        C   7   1.261  11.800  -3.108
   70    H3*    C   7           H3*        C   7  -0.415   9.305  -2.705
   71    H2*    C   7           H2*        C   7   0.130   8.890  -5.001
   72   2HO*    C   7          2HO*        C   7   2.115  10.577  -5.583
   73    H1*    C   7           H1*        C   7   2.865   9.094  -4.364
   74   1H4     C   7          1H4         C   7   1.375   3.638  -1.238
   75   2H4     C   7          2H4         C   7   1.263   3.237  -2.979
   76    H5     C   7           H5         C   7   1.676   5.753  -0.525
   77    H6     C   7           H6         C   7   1.686   8.092  -1.239
   78   1H5*    U   8          1H5*        U   8  -1.224  10.993  -6.265
   79   2H5*    U   8          2H5*        U   8  -2.927  11.178  -6.683
   80    H4*    U   8           H4*        U   8  -1.749   9.985  -8.421
   81    H3*    U   8           H3*        U   8  -3.793   8.335  -6.916
   82    H2*    U   8           H2*        U   8  -3.412   6.676  -8.537
   83   2HO*    U   8          2HO*        U   8  -2.688   8.356 -10.324
   84    H1*    U   8           H1*        U   8  -0.666   6.771  -8.196
   85    H3     U   8           H3         U   8  -2.179   3.026  -5.919
   86    H5     U   8           H5         U   8  -1.440   5.993  -3.142
   87    H6     U   8           H6         U   8  -1.549   7.609  -4.901
   88   1H5*    C   9          1H5*        C   9  -4.953   7.450 -10.343
   89   2H5*    C   9          2H5*        C   9  -6.681   7.726 -10.598
   90    H4*    C   9           H4*        C   9  -6.195   5.402 -10.833
   91    H3*    C   9           H3*        C   9  -7.702   5.910  -8.255
   92    H2*    C   9           H2*        C   9  -7.915   3.589  -8.168
   93   2HO*    C   9          2HO*        C   9  -7.624   2.218  -9.864
   94    H1*    C   9           H1*        C   9  -5.247   3.186  -8.861
   95   1H4     C   9          1H4         C   9  -4.237   3.939  -2.674
   96   2H4     C   9          2H4         C   9  -4.753   2.262  -3.060
   97    H5     C   9           H5         C   9  -4.729   5.628  -4.206
   98    H6     C   9           H6         C   9  -5.275   5.995  -6.606
   99   1H5*    C  10          1H5*        C  10  -9.905   3.509 -10.912
  100   2H5*    C  10          2H5*        C  10 -11.655   3.629 -10.747
  101    H4*    C  10           H4*        C  10 -10.919   1.388 -10.413
  102    H3*    C  10           H3*        C  10 -11.902   2.533  -7.795
  103    H2*    C  10           H2*        C  10 -11.802   0.273  -7.069
  104   2HO*    C  10          2HO*        C  10 -11.601  -1.425  -8.443
  105    H1*    C  10           H1*        C  10  -9.194   0.026  -7.943
  106   1H4     C  10          1H4         C  10  -9.193   3.883  -2.696
  107   2H4     C  10          2H4         C  10  -8.905   2.173  -2.251
  108    H5     C  10           H5         C  10  -9.543   4.434  -4.843
  109    H6     C  10           H6         C  10 -10.104   3.503  -7.017
  110   1H5*    A  11          1H5*        A  11 -14.087  -0.846  -9.256
  111   2H5*    A  11          2H5*        A  11 -15.691  -1.075  -8.572
  112    H4*    A  11           H4*        A  11 -14.232  -2.966  -8.309
  113    H3*    A  11           H3*        A  11 -14.910  -1.822  -5.599
  114    H2*    A  11           H2*        A  11 -14.106  -3.969  -4.854
  115   2HO*    A  11          2HO*        A  11 -14.548  -5.487  -6.579
  116    H1*    A  11           H1*        A  11 -11.778  -3.580  -6.317
  117    H8     A  11           H8         A  11 -12.644  -0.128  -5.107
  118   1H6     A  11          1H6         A  11 -11.239  -2.515   0.536
  119   2H6     A  11          2H6         A  11 -11.596  -0.827   0.008
  120    H2     A  11           H2         A  11 -11.179  -5.561  -1.951
  121   1H5*    G  12          1H5*        G  12 -16.966  -5.634  -3.310
  122   2H5*    G  12          2H5*        G  12 -15.335  -5.414  -3.956
  123    H4*    G  12           H4*        G  12 -17.277  -7.443  -4.921
  124    H3*    G  12           H3*        G  12 -16.518  -7.810  -2.462
  125    H2*    G  12           H2*        G  12 -14.074  -7.463  -2.836
  126   2HO*    G  12          2HO*        G  12 -14.117  -9.699  -2.013
  127    H1*    G  12           H1*        G  12 -14.617  -9.453  -4.955
  128    H8     G  12           H8         G  12 -12.523  -6.126  -4.958
  129    H1     G  12           H1         G  12  -9.576 -11.469  -6.884
  130   1H2     G  12          1H2         G  12 -10.628 -12.898  -6.832
  131   2H2     G  12          2H2         G  12 -12.392 -12.827  -6.580
  132   1H5*    A  13          1H5*        A  13 -18.071 -11.156  -0.502
  133   2H5*    A  13          2H5*        A  13 -17.707  -9.746   0.445
  134    H4*    A  13           H4*        A  13 -16.069 -10.904  -1.734
  135    H3*    A  13           H3*        A  13 -15.917 -12.246   0.446
  136    H2*    A  13           H2*        A  13 -15.959 -10.074   1.613
  137   2HO*    A  13          2HO*        A  13 -13.248 -11.077   1.928
  138    H1*    A  13           H1*        A  13 -13.352  -9.219   0.288
  139    H8     A  13           H8         A  13 -16.755  -7.803   0.017
  140   1H6     A  13          1H6         A  13 -15.334  -2.906   1.284
  141   2H6     A  13          2H6         A  13 -13.584  -2.609   1.546
  142    H2     A  13           H2         A  13 -10.956  -5.593   1.354
  143   1H5*    G  14          1H5*        G  14 -13.644 -12.114  -3.422
  144   2H5*    G  14          2H5*        G  14 -12.353 -13.128  -4.038
  145    H4*    G  14           H4*        G  14 -11.608 -10.802  -3.899
  146    H3*    G  14           H3*        G  14 -10.341 -12.676  -2.072
  147    H2*    G  14           H2*        G  14  -8.702 -10.918  -1.632
  148   2HO*    G  14          2HO*        G  14  -8.763  -9.750  -3.763
  149    H1*    G  14           H1*        G  14 -10.909  -9.147  -1.194
  150    H8     G  14           H8         G  14 -12.301 -11.921   0.084
  151    H1     G  14           H1         G  14  -8.825  -8.710   4.254
  152   1H2     G  14          1H2         G  14  -7.103  -7.715   1.818
  153   2H2     G  14          2H2         G  14  -7.426  -7.873   3.567
  154   1H5*    G  15          1H5*        G  15  -6.844 -11.409  -3.689
  155   2H5*    G  15          2H5*        G  15  -5.810 -12.796  -4.073
  156    H4*    G  15           H4*        G  15  -4.725 -11.407  -2.470
  157    H3*    G  15           H3*        G  15  -5.635 -13.967  -1.119
  158    H2*    G  15           H2*        G  15  -4.375 -13.227   0.708
  159   2HO*    G  15          2HO*        G  15  -3.466 -10.806   0.261
  160    H1*    G  15           H1*        G  15  -5.313 -10.577   0.454
  161    H8     G  15           H8         G  15  -8.208 -12.984  -0.002
  162    H1     G  15           H1         G  15  -6.866 -11.371   6.069
  163   1H2     G  15          1H2         G  15  -4.206 -10.045   4.794
  164   2H2     G  15          2H2         G  15  -5.268 -10.387   6.190
  165   1H5*    U  16          1H5*        U  16  -1.778 -14.035  -0.182
  166   2H5*    U  16          2H5*        U  16  -1.070 -15.627  -0.481
  167    H4*    U  16           H4*        U  16  -0.722 -15.199   1.757
  168    H3*    U  16           H3*        U  16  -3.111 -17.071   1.629
  169    H2*    U  16           H2*        U  16  -2.789 -17.265   3.973
  170   2HO*    U  16          2HO*        U  16  -0.283 -16.826   3.851
  171    H1*    U  16           H1*        U  16  -2.594 -14.502   4.266
  172    H3     U  16           H3         U  16  -6.712 -15.345   5.974
  173    H5     U  16           H5         U  16  -7.295 -15.516   1.872
  174    H6     U  16           H6         U  16  -4.895 -15.444   1.566
  175   1H5*    C  17          1H5*        C  17  -1.345 -19.189   4.196
  176   2H5*    C  17          2H5*        C  17  -1.167 -20.839   3.601
  177    H4*    C  17           H4*        C  17  -2.305 -21.158   5.450
  178    H3*    C  17           H3*        C  17  -4.567 -21.021   3.477
  179    H2*    C  17           H2*        C  17  -5.842 -21.851   5.244
  180   2HO*    C  17          2HO*        C  17  -4.540 -23.294   6.462
  181    H1*    C  17           H1*        C  17  -4.601 -20.110   7.104
  182   1H4     C  17          1H4         C  17  -9.804 -17.585   4.060
  183   2H4     C  17          2H4         C  17 -10.177 -17.835   5.794
  184    H5     C  17           H5         C  17  -7.903 -18.296   3.150
  185    H6     C  17           H6         C  17  -5.599 -19.074   3.683
  186   1H5*    G  18          1H5*        G  18  -4.151 -25.534   4.288
  187   2H5*    G  18          2H5*        G  18  -5.233 -26.404   3.205
  188    H4*    G  18           H4*        G  18  -5.859 -26.369   5.643
  189    H3*    G  18           H3*        G  18  -7.968 -25.223   3.818
  190    H2*    G  18           H2*        G  18  -9.361 -25.254   5.718
  191   2HO*    G  18          2HO*        G  18  -8.706 -26.087   7.743
  192    H1*    G  18           H1*        G  18  -7.260 -24.162   7.269
  193    H8     G  18           H8         G  18  -8.009 -22.731   3.704
  194    H1     G  18           H1         G  18 -11.801 -21.473   8.721
  195   1H2     G  18          1H2         G  18 -11.925 -22.693   9.406
  196   2H2     G  18          2H2         G  18 -10.567 -23.870   9.345
  197   1H5*    A  19          1H5*        A  19 -10.314 -30.293   4.206
  198   2H5*    A  19          2H5*        A  19 -11.692 -29.299   3.717
  199    H4*    A  19           H4*        A  19 -12.460 -30.495   5.522
  200    H3*    A  19           H3*        A  19 -11.765 -27.729   6.549
  201    H2*    A  19           H2*        A  19 -12.660 -28.447   8.609
  202   2HO*    A  19          2HO*        A  19 -14.359 -29.969   7.471
  203    H1*    A  19           H1*        A  19 -11.456 -30.911   8.567
  204    H8     A  19           H8         A  19  -8.686 -28.843   7.237
  205   1H6     A  19          1H6         A  19  -6.547 -28.037  11.964
  206   2H6     A  19          2H6         A  19  -7.599 -28.218  13.410
  207    H2     A  19           H2         A  19 -11.416 -29.260  13.070
  208   1H5*    G  20          1H5*        G  20 -15.334 -27.929   8.102
  209   2H5*    G  20          2H5*        G  20 -16.319 -26.511   7.706
  210    H4*    G  20           H4*        G  20 -16.052 -26.560  10.052
  211    H3*    G  20           H3*        G  20 -14.426 -24.346   8.796
  212    H2*    G  20           H2*        G  20 -13.735 -23.732  10.962
  213   2HO*    G  20          2HO*        G  20 -15.423 -24.027  12.410
  214    H1*    G  20           H1*        G  20 -13.384 -26.274  11.895
  215    H8     G  20           H8         G  20 -12.003 -26.057   8.337
  216    H1     G  20           H1         G  20  -7.859 -25.071  13.157
  217   1H2     G  20          1H2         G  20  -8.634 -25.166  14.784
  218   2H2     G  20          2H2         G  20 -10.396 -25.295  15.016
  219   1H5*    A  21          1H5*        A  21 -17.837 -23.164  11.446
  220   2H5*    A  21          2H5*        A  21 -18.552 -21.558  11.298
  221    H4*    A  21           H4*        A  21 -17.556 -22.024  13.473
  222    H3*    A  21           H3*        A  21 -16.197 -19.677  12.111
  223    H2*    A  21           H2*        A  21 -14.981 -19.510  14.301
  224   2HO*    A  21          2HO*        A  21 -16.615 -20.426  15.765
  225    H1*    A  21           H1*        A  21 -14.255 -21.832  14.212
  226    H8     A  21           H8         A  21 -14.619 -21.070  10.398
  227   1H6     A  21          1H6         A  21  -9.147 -21.644   9.915
  228   2H6     A  21          2H6         A  21  -8.582 -22.011  11.573
  229    H2     A  21           H2         A  21 -10.340 -22.520  14.585
  230   1H5*    G  22          1H5*        G  22 -16.291 -15.438  15.067
  231   2H5*    G  22          2H5*        G  22 -16.252 -15.623  13.323
  232    H4*    G  22           H4*        G  22 -14.762 -17.337  15.315
  233    H3*    G  22           H3*        G  22 -13.621 -15.269  13.397
  234    H2*    G  22           H2*        G  22 -11.767 -16.837  13.323
  235   2HO*    G  22          2HO*        G  22 -11.775 -17.245  15.824
  236    H1*    G  22           H1*        G  22 -12.983 -18.932  13.339
  237    H8     G  22           H8         G  22 -14.878 -17.176  11.148
  238    H1     G  22           H1         G  22  -9.306 -18.376   8.250
  239   1H2     G  22          1H2         G  22  -8.227 -18.977  11.154
  240   2H2     G  22          2H2         G  22  -8.049 -18.879   9.382
  241   1H5*    A  23          1H5*        A  23 -10.576 -15.527  15.923
  242   2H5*    A  23          2H5*        A  23 -10.194 -13.932  16.590
  243    H4*    A  23           H4*        A  23  -8.222 -14.658  15.690
  244    H3*    A  23           H3*        A  23  -9.438 -12.802  13.606
  245    H2*    A  23           H2*        A  23  -7.330 -12.996  12.542
  246   2HO*    A  23          2HO*        A  23  -5.923 -13.205  14.517
  247    H1*    A  23           H1*        A  23  -7.258 -15.747  12.842
  248    H8     A  23           H8         A  23 -10.816 -14.677  12.133
  249   1H6     A  23          1H6         A  23 -10.490 -15.077   6.980
  250   2H6     A  23          2H6         A  23  -8.912 -15.259   6.180
  251    H2     A  23           H2         A  23  -5.565 -15.391   8.465
  252   1H5*    C  24          1H5*        C  24  -5.942 -10.858  14.712
  253   2H5*    C  24          2H5*        C  24  -6.171  -9.115  14.919
  254    H4*    C  24           H4*        C  24  -4.549  -9.511  13.241
  255    H3*    C  24           H3*        C  24  -7.100  -8.547  11.919
  256    H2*    C  24           H2*        C  24  -5.705  -8.307   9.971
  257   2HO*    C  24          2HO*        C  24  -3.551  -7.943  11.094
  258    H1*    C  24           H1*        C  24  -4.822 -10.898  10.281
  259   1H4     C  24          1H4         C  24 -10.623 -12.657   8.368
  260   2H4     C  24          2H4         C  24  -9.568 -12.362   6.943
  261    H5     C  24           H5         C  24 -10.044 -11.834  10.404
  262    H6     C  24           H6         C  24  -8.228 -10.840  11.707
  263   1H5*    C  25          1H5*        C  25  -4.115  -5.978  11.098
  264   2H5*    C  25          2H5*        C  25  -4.460  -4.262  10.996
  265    H4*    C  25           H4*        C  25  -3.419  -5.322   9.058
  266    H3*    C  25           H3*        C  25  -4.713  -3.118   8.699
  267    H2*    C  25           H2*        C  25  -6.854  -4.308   8.819
  268   2HO*    C  25          2HO*        C  25  -6.220  -3.805   6.032
  269    H1*    C  25           H1*        C  25  -5.631  -5.930   6.571
  270   1H4     C  25          1H4         C  25 -10.743  -9.620   8.006
  271   2H4     C  25          2H4         C  25 -10.294  -9.446   6.282
  272    H5     C  25           H5         C  25  -9.607  -8.344   9.500
  273    H6     C  25           H6         C  25  -7.556  -7.039   9.705
  274   1H5*    G  26          1H5*        G  26  -3.984  -5.583   4.399
  275   2H5*    G  26          2H5*        G  26  -3.623  -4.238   3.302
  276    H4*    G  26           H4*        G  26  -6.210  -5.760   3.582
  277    H3*    G  26           H3*        G  26  -4.513  -4.839   1.226
  278    H2*    G  26           H2*        G  26  -6.366  -4.441   0.086
  279   2HO*    G  26          2HO*        G  26  -7.758  -6.041  -0.301
  280    H1*    G  26           H1*        G  26  -8.152  -4.511   2.464
  281    H8     G  26           H8         G  26  -7.427  -1.764   3.414
  282    H1     G  26           H1         G  26  -8.892  -0.238  -2.659
  283   1H2     G  26          1H2         G  26  -8.780  -3.297  -3.265
  284   2H2     G  26          2H2         G  26  -8.974  -1.599  -3.764
  285   1H5*    G  27          1H5*        G  27  -6.157  -8.313  -0.543
  286   2H5*    G  27          2H5*        G  27  -4.981  -9.022  -1.658
  287    H4*    G  27           H4*        G  27  -6.916  -8.155  -2.809
  288    H3*    G  27           H3*        G  27  -4.479  -6.459  -3.468
  289    H2*    G  27           H2*        G  27  -5.927  -5.560  -5.180
  290   2HO*    G  27          2HO*        G  27  -7.482  -7.278  -5.658
  291    H1*    G  27           H1*        G  27  -7.827  -4.998  -3.189
  292    H8     G  27           H8         G  27  -4.779  -4.631  -1.188
  293    H1     G  27           H1         G  27  -5.793   0.392  -5.038
  294   1H2     G  27          1H2         G  27  -6.927  -1.810  -7.111
  295   2H2     G  27          2H2         G  27  -6.397  -0.150  -6.713
  296   1H5*    A  28          1H5*        A  28  -5.398  -7.172  -7.320
  297   2H5*    A  28          2H5*        A  28  -3.963  -7.752  -8.172
  298    H4*    A  28           H4*        A  28  -4.776  -5.877  -9.277
  299    H3*    A  28           H3*        A  28  -2.284  -4.990  -7.801
  300    H2*    A  28           H2*        A  28  -2.467  -3.068  -9.210
  301   2HO*    A  28          2HO*        A  28  -3.778  -4.358 -11.042
  302    H1*    A  28           H1*        A  28  -5.052  -2.693  -8.448
  303    H8     A  28           H8         A  28  -3.241  -4.308  -5.544
  304   1H6     A  28          1H6         A  28  -1.747   0.071  -3.368
  305   2H6     A  28          2H6         A  28  -1.808   1.632  -4.228
  306    H2     A  28           H2         A  28  -3.051   1.594  -8.118
  307   1H5*    G  29          1H5*        G  29  -1.382  -3.654 -11.260
  308   2H5*    G  29          2H5*        G  29   0.267  -3.993 -11.754
  309    H4*    G  29           H4*        G  29  -0.206  -1.662 -11.767
  310    H3*    G  29           H3*        G  29   1.876  -2.294  -9.688
  311    H2*    G  29           H2*        G  29   2.216   0.040  -9.672
  312   2HO*    G  29          2HO*        G  29   1.761   1.211 -11.475
  313    H1*    G  29           H1*        G  29  -0.543   0.566  -9.643
  314    H8     G  29           H8         G  29   0.322  -2.295  -7.341
  315    H1     G  29           H1         G  29   1.379   3.598  -4.963
  316   1H2     G  29          1H2         G  29   0.967   4.579  -7.908
  317   2H2     G  29          2H2         G  29   1.253   4.945  -6.186
  318   1H5*    A  30          1H5*        A  30   3.114  -0.010 -13.062
  319   2H5*    A  30          2H5*        A  30   4.817   0.020 -13.506
  320    H4*    A  30           H4*        A  30   3.783   2.235 -12.983
  321    H3*    A  30           H3*        A  30   6.232   1.509 -11.355
  322    H2*    A  30           H2*        A  30   6.028   3.683 -10.462
  323   2HO*    A  30          2HO*        A  30   5.116   4.609 -12.636
  324    H1*    A  30           H1*        A  30   3.239   3.596 -10.195
  325    H8     A  30           H8         A  30   4.930   0.380  -9.098
  326   1H6     A  30          1H6         A  30   4.562   3.360  -3.572
  327   2H6     A  30          2H6         A  30   4.798   1.626  -3.966
  328    H2     A  30           H2         A  30   3.948   6.092  -6.317
  329   1H5*    U  31          1H5*        U  31   9.438   4.595 -13.870
  330   2H5*    U  31          2H5*        U  31   9.885   4.814 -12.190
  331    H4*    U  31           H4*        U  31   7.221   5.551 -13.376
  332    H3*    U  31           H3*        U  31   9.394   7.137 -11.936
  333    H2*    U  31           H2*        U  31   7.804   8.640 -11.298
  334   2HO*    U  31          2HO*        U  31   6.123   9.128 -12.603
  335    H1*    U  31           H1*        U  31   5.756   6.514 -11.307
  336    H3     U  31           H3         U  31   5.034   8.364  -7.214
  337    H5     U  31           H5         U  31   8.142   5.728  -6.611
  338    H6     U  31           H6         U  31   8.262   5.391  -9.007
  339   1H5*    A  32          1H5*        A  32   7.280  10.013 -14.679
  340   2H5*    A  32          2H5*        A  32   8.221  11.486 -14.879
  341    H4*    A  32           H4*        A  32   5.936  11.700 -13.822
  342    H3*    A  32           H3*        A  32   8.183  12.835 -12.147
  343    H2*    A  32           H2*        A  32   6.500  13.586 -10.774
  344   2HO*    A  32          2HO*        A  32   4.334  13.877 -11.298
  345    H1*    A  32           H1*        A  32   4.775  11.335 -11.393
  346    H8     A  32           H8         A  32   8.289  11.131  -9.704
  347   1H6     A  32          1H6         A  32   4.596  10.498  -4.661
  348   2H6     A  32          2H6         A  32   6.372  10.579  -4.847
  349    H2     A  32           H2         A  32   2.154  10.902  -7.800
  350   1H5*    U  33          1H5*        U  33   5.356  16.084 -12.544
  351   2H5*    U  33          2H5*        U  33   6.176  17.619 -12.302
  352    H4*    U  33           H4*        U  33   4.434  17.160 -10.642
  353    H3*    U  33           H3*        U  33   7.177  17.481  -9.429
  354    H2*    U  33           H2*        U  33   6.061  17.380  -7.350
  355   2HO*    U  33          2HO*        U  33   3.910  18.389  -8.141
  356    H1*    U  33           H1*        U  33   4.545  15.168  -8.061
  357    H3     U  33           H3         U  33   7.545  13.369  -5.163
  358    H5     U  33           H5         U  33   9.834  14.042  -8.544
  359    H6     U  33           H6         U  33   7.946  15.202  -9.534
  360   1H5*    C  34          1H5*        C  34   4.366  20.152  -7.709
  361   2H5*    C  34          2H5*        C  34   5.043  21.677  -7.153
  362    H4*    C  34           H4*        C  34   3.934  20.466  -5.379
  363    H3*    C  34           H3*        C  34   6.899  20.716  -4.873
  364    H2*    C  34           H2*        C  34   6.377  19.907  -2.711
  365   2HO*    C  34          2HO*        C  34   4.115  19.211  -2.222
  366    H1*    C  34           H1*        C  34   4.794  17.846  -3.749
  367   1H4     C  34          1H4         C  34  10.705  15.381  -4.741
  368   2H4     C  34          2H4         C  34  10.109  14.943  -3.105
  369    H5     C  34           H5         C  34   9.624  17.063  -5.939
  370    H6     C  34           H6         C  34   7.604  18.498  -6.000
  371   1H5*    A  35          1H5*        A  35   5.103  22.319  -1.667
  372   2H5*    A  35          2H5*        A  35   5.805  23.857  -1.161
  373    H4*    A  35           H4*        A  35   5.885  22.460   0.673
  374    H3*    A  35           H3*        A  35   8.688  22.554  -0.464
  375    H2*    A  35           H2*        A  35   9.293  21.511   1.576
  376   2HO*    A  35          2HO*        A  35   7.683  20.908   3.178
  377    H1*    A  35           H1*        A  35   7.396  19.575   1.288
  378    H8     A  35           H8         A  35   8.653  20.737  -2.138
  379   1H6     A  35          1H6         A  35  12.280  17.160  -2.660
  380   2H6     A  35          2H6         A  35  12.805  16.122  -1.307
  381    H2     A  35           H2         A  35  10.976  16.719   2.323
  382   1H5*    C  36          1H5*        C  36   8.978  23.828   3.288
  383   2H5*    C  36          2H5*        C  36  10.064  25.196   3.517
  384    H4*    C  36           H4*        C  36  10.766  23.458   4.888
  385    H3*    C  36           H3*        C  36  12.722  23.611   2.585
  386    H2*    C  36           H2*        C  36  14.071  22.239   4.001
  387   2HO*    C  36          2HO*        C  36  13.424  21.578   6.084
  388    H1*    C  36           H1*        C  36  11.929  20.470   4.300
  389   1H4     C  36          1H4         C  36  14.109  19.668  -1.802
  390   2H4     C  36          2H4         C  36  15.022  18.618  -0.663
  391    H5     C  36           H5         C  36  12.530  21.110  -0.996
  392    H6     C  36           H6         C  36  11.641  22.135   1.062
  393   1H5*    C  37          1H5*        C  37  14.967  24.237   5.736
  394   2H5*    C  37          2H5*        C  37  15.996  25.671   5.632
  395    H4*    C  37           H4*        C  37  17.337  23.824   6.156
  396    H3*    C  37           H3*        C  37  17.829  24.542   3.251
  397    H2*    C  37           H2*        C  37  19.709  23.115   3.481
  398   2HO*    C  37          2HO*        C  37  20.312  22.126   5.443
  399    H1*    C  37           H1*        C  37  18.114  21.125   4.617
  400   1H4     C  37          1H4         C  37  16.567  20.810  -1.685
  401   2H4     C  37          2H4         C  37  17.881  19.642  -1.339
  402    H5     C  37           H5         C  37  15.888  22.323  -0.133
  403    H6     C  37           H6         C  37  16.239  23.148   2.171
  404   1H5*    C  38          1H5*        C  38  21.422  24.766   4.612
  405   2H5*    C  38          2H5*        C  38  22.240  26.275   4.205
  406    H4*    C  38           H4*        C  38  23.580  24.581   3.402
  407    H3*    C  38           H3*        C  38  22.093  25.588   0.972
  408    H2*    C  38           H2*        C  38  23.694  24.382  -0.244
  409   2HO*    C  38          2HO*        C  38  25.582  24.619   1.348
  410    H1*    C  38           H1*        C  38  23.378  22.167   1.494
  411   1H4     C  38          1H4         C  38  18.658  22.268  -3.076
  412   2H4     C  38          2H4         C  38  19.929  21.074  -3.505
  413    H5     C  38           H5         C  38  18.842  23.524  -1.171
  414    H6     C  38           H6         C  38  20.322  24.101   0.729
  415    H3T    C  38           H3T        C  38  23.163  27.238   2.105
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  23.482  16.184 -12.452
    2   2H5*    G   1          2H5*        G   1  22.967  14.570 -11.958
    3    H4*    G   1           H4*        G   1  24.834  15.209 -10.642
    4    H3*    G   1           H3*        G   1  22.280  15.223  -9.012
    5    H2*    G   1           H2*        G   1  23.694  15.618  -7.111
    6   2HO*    G   1          2HO*        G   1  25.479  14.247  -8.175
    7    H1*    G   1           H1*        G   1  25.149  17.635  -8.402
    8    H8     G   1           H8         G   1  21.758  18.177  -9.694
    9    H1     G   1           H1         G   1  22.432  20.190  -3.640
   10   1H2     G   1          1H2         G   1  25.215  18.140  -3.588
   11   2H2     G   1          2H2         G   1  24.157  19.218  -2.703
   12    H5T    G   1           H5T        G   1  21.273  15.521 -10.793
   13   1H5*    G   2          1H5*        G   2  24.790  12.682  -6.889
   14   2H5*    G   2          2H5*        G   2  23.910  11.230  -6.387
   15    H4*    G   2           H4*        G   2  24.904  12.267  -4.480
   16    H3*    G   2           H3*        G   2  21.888  12.595  -4.465
   17    H2*    G   2           H2*        G   2  22.204  13.456  -2.238
   18   2HO*    G   2          2HO*        G   2  23.864  12.196  -1.402
   19    H1*    G   2           H1*        G   2  24.347  15.103  -3.025
   20    H8     G   2           H8         G   2  21.855  15.179  -5.794
   21    H1     G   2           H1         G   2  20.023  18.643  -0.715
   22   1H2     G   2          1H2         G   2  22.538  16.957   0.957
   23   2H2     G   2          2H2         G   2  21.249  18.139   1.031
   24   1H5*    G   3          1H5*        G   3  22.914  10.896  -0.832
   25   2H5*    G   3          2H5*        G   3  21.875   9.506  -0.490
   26    H4*    G   3           H4*        G   3  21.935  11.007   1.388
   27    H3*    G   3           H3*        G   3  19.230  10.909   0.023
   28    H2*    G   3           H2*        G   3  18.454  12.245   1.859
   29   2HO*    G   3          2HO*        G   3  20.244  11.026   3.263
   30    H1*    G   3           H1*        G   3  20.688  13.967   1.786
   31    H8     G   3           H8         G   3  19.921  13.418  -1.765
   32    H1     G   3           H1         G   3  15.907  17.547   1.064
   33   1H2     G   3          1H2         G   3  16.916  16.053   4.011
   34   2H2     G   3          2H2         G   3  15.897  17.243   3.229
   35   1H5*    U   4          1H5*        U   4  18.384  10.157   3.869
   36   2H5*    U   4          2H5*        U   4  17.323   8.753   4.057
   37    H4*    U   4           H4*        U   4  16.361  10.639   5.161
   38    H3*    U   4           H3*        U   4  14.819   9.897   2.657
   39    H2*    U   4           H2*        U   4  13.215  11.513   3.390
   40   2HO*    U   4          2HO*        U   4  13.952  10.832   5.790
   41    H1*    U   4           H1*        U   4  15.209  13.390   4.167
   42    H3     U   4           H3         U   4  13.033  15.362   0.692
   43    H5     U   4           H5         U   4  15.736  12.685  -1.078
   44    H6     U   4           H6         U   4  16.108  11.738   1.094
   45   1H5*    G   5          1H5*        G   5  12.145   9.586   5.979
   46   2H5*    G   5          2H5*        G   5  11.024   8.238   5.740
   47    H4*    G   5           H4*        G   5   9.798  10.245   6.137
   48    H3*    G   5           H3*        G   5   9.527   9.324   3.260
   49    H2*    G   5           H2*        G   5   7.864  11.066   3.078
   50   2HO*    G   5          2HO*        G   5   8.305  11.880   5.753
   51    H1*    G   5           H1*        G   5   9.504  12.970   4.305
   52    H8     G   5           H8         G   5  11.540  10.580   2.189
   53    H1     G   5           H1         G   5   8.852  15.354  -1.140
   54   1H2     G   5          1H2         G   5   6.977  15.887   1.710
   55   2H2     G   5          2H2         G   5   7.309  16.344   0.055
   56   1H5*    A   6          1H5*        A   6   5.775   9.598   4.963
   57   2H5*    A   6          2H5*        A   6   4.624   8.363   4.441
   58    H4*    A   6           H4*        A   6   3.936  10.737   4.138
   59    H3*    A   6           H3*        A   6   3.033   8.726   2.637
   60    H2*    A   6           H2*        A   6   4.909   8.851   1.048
   61   2HO*    A   6          2HO*        A   6   2.532  10.023   0.213
   62    H1*    A   6           H1*        A   6   4.310  11.879   1.114
   63    H8     A   6           H8         A   6   7.682   9.959   1.250
   64   1H6     A   6          1H6         A   6   9.443  11.458  -3.036
   65   2H6     A   6          2H6         A   6   8.762  12.413  -4.337
   66    H2     A   6           H2         A   6   4.675  13.677  -3.035
   67   1H5*    C   7          1H5*        C   7   1.387  11.733  -0.131
   68   2H5*    C   7          2H5*        C   7  -0.372  11.547  -0.165
   69    H4*    C   7           H4*        C   7   0.819  11.493  -2.381
   70    H3*    C   7           H3*        C   7  -1.007   9.183  -1.673
   71    H2*    C   7           H2*        C   7  -0.621   8.458  -3.942
   72   2HO*    C   7          2HO*        C   7   1.048   9.899  -5.122
   73    H1*    C   7           H1*        C   7   2.166   8.833  -3.731
   74   1H4     C   7          1H4         C   7   1.699   3.169  -0.586
   75   2H4     C   7          2H4         C   7   1.504   2.724  -2.268
   76    H5     C   7           H5         C   7   1.605   5.461   0.185
   77    H6     C   7           H6         C   7   1.379   7.775  -0.497
   78   1H5*    U   8          1H5*        U   8  -2.267  11.218  -5.159
   79   2H5*    U   8          2H5*        U   8  -4.004  11.211  -5.503
   80    H4*    U   8           H4*        U   8  -2.629  10.287  -7.325
   81    H3*    U   8           H3*        U   8  -4.655   8.417  -6.071
   82    H2*    U   8           H2*        U   8  -4.014   6.830  -7.756
   83   2HO*    U   8          2HO*        U   8  -3.519   8.867  -9.245
   84    H1*    U   8           H1*        U   8  -1.268   7.233  -7.374
   85    H3     U   8           H3         U   8  -2.187   3.147  -5.573
   86    H5     U   8           H5         U   8  -2.103   5.953  -2.469
   87    H6     U   8           H6         U   8  -2.536   7.649  -4.095
   88   1H5*    C   9          1H5*        C   9  -5.488   7.690  -9.775
   89   2H5*    C   9          2H5*        C   9  -7.225   7.789 -10.101
   90    H4*    C   9           H4*        C   9  -6.464   5.600 -10.643
   91    H3*    C   9           H3*        C   9  -8.137   5.605  -8.117
   92    H2*    C   9           H2*        C   9  -7.984   3.217  -8.202
   93   2HO*    C   9          2HO*        C   9  -7.982   2.416 -10.198
   94    H1*    C   9           H1*        C   9  -5.235   3.225  -8.802
   95   1H4     C   9          1H4         C   9  -4.953   4.173  -2.362
   96   2H4     C   9          2H4         C   9  -4.921   2.437  -2.590
   97    H5     C   9           H5         C   9  -5.489   5.717  -4.154
   98    H6     C   9           H6         C   9  -5.984   5.913  -6.521
   99   1H5*    C  10          1H5*        C  10  -9.801   2.926 -11.002
  100   2H5*    C  10          2H5*        C  10 -11.560   2.808 -10.845
  101    H4*    C  10           H4*        C  10 -10.510   0.642 -10.656
  102    H3*    C  10           H3*        C  10 -11.779   1.557  -8.058
  103    H2*    C  10           H2*        C  10 -11.345  -0.712  -7.332
  104   2HO*    C  10          2HO*        C  10 -11.144  -2.251  -8.808
  105    H1*    C  10           H1*        C  10  -8.688  -0.586  -8.161
  106   1H4     C  10          1H4         C  10  -8.837   3.284  -2.829
  107   2H4     C  10          2H4         C  10  -8.337   1.705  -2.260
  108    H5     C  10           H5         C  10  -9.873   3.605  -5.009
  109    H6     C  10           H6         C  10 -10.186   2.622  -7.190
  110   1H5*    A  11          1H5*        A  11 -13.665  -2.090  -9.735
  111   2H5*    A  11          2H5*        A  11 -15.121  -2.555  -8.851
  112    H4*    A  11           H4*        A  11 -13.188  -4.179  -8.893
  113    H3*    A  11           H3*        A  11 -14.278  -3.435  -6.155
  114    H2*    A  11           H2*        A  11 -12.945  -5.349  -5.466
  115   2HO*    A  11          2HO*        A  11 -13.125  -6.781  -7.200
  116    H1*    A  11           H1*        A  11 -10.724  -4.375  -6.943
  117    H8     A  11           H8         A  11 -12.226  -1.353  -5.500
  118   1H6     A  11          1H6         A  11 -10.504  -3.213   0.158
  119   2H6     A  11          2H6         A  11 -11.255  -1.921  -0.754
  120    H2     A  11           H2         A  11  -9.652  -6.529  -2.730
  121   1H5*    G  12          1H5*        G  12 -14.657  -7.538  -7.872
  122   2H5*    G  12          2H5*        G  12 -16.148  -8.260  -7.261
  123    H4*    G  12           H4*        G  12 -14.855 -10.017  -7.079
  124    H3*    G  12           H3*        G  12 -15.124  -8.963  -4.514
  125    H2*    G  12           H2*        G  12 -12.760  -8.506  -4.091
  126   2HO*    G  12          2HO*        G  12 -12.022 -10.207  -3.031
  127    H1*    G  12           H1*        G  12 -12.378 -10.796  -5.961
  128    H8     G  12           H8         G  12 -10.821  -7.187  -5.930
  129    H1     G  12           H1         G  12  -6.733 -12.039  -6.846
  130   1H2     G  12          1H2         G  12  -7.821 -13.941  -6.967
  131   2H2     G  12          2H2         G  12  -9.566 -14.023  -6.856
  132   1H5*    A  13          1H5*        A  13 -17.105 -12.540  -2.346
  133   2H5*    A  13          2H5*        A  13 -16.994 -11.037  -1.422
  134    H4*    A  13           H4*        A  13 -14.871 -12.316  -3.109
  135    H3*    A  13           H3*        A  13 -15.015 -13.246  -0.696
  136    H2*    A  13           H2*        A  13 -15.515 -11.026   0.254
  137   2HO*    A  13          2HO*        A  13 -13.281 -12.236   0.990
  138    H1*    A  13           H1*        A  13 -13.002  -9.807  -0.995
  139    H8     A  13           H8         A  13 -16.249  -9.069  -2.306
  140   1H6     A  13          1H6         A  13 -15.953  -4.277  -1.909
  141   2H6     A  13          2H6         A  13 -14.559  -3.280  -1.552
  142    H2     A  13           H2         A  13 -11.332  -6.026  -0.159
  143   1H5*    G  14          1H5*        G  14 -11.849 -13.412  -3.621
  144   2H5*    G  14          2H5*        G  14 -10.291 -14.239  -3.680
  145    H4*    G  14           H4*        G  14 -10.150 -11.793  -4.027
  146    H3*    G  14           H3*        G  14  -8.649 -13.091  -1.815
  147    H2*    G  14           H2*        G  14  -7.689 -10.945  -1.223
  148   2HO*    G  14          2HO*        G  14  -7.659 -10.270  -3.582
  149    H1*    G  14           H1*        G  14 -10.192  -9.643  -1.288
  150    H8     G  14           H8         G  14 -11.639 -12.300  -0.178
  151    H1     G  14           H1         G  14 -10.102  -8.372   4.095
  152   1H2     G  14          1H2         G  14  -7.914  -7.007   1.770
  153   2H2     G  14          2H2         G  14  -8.521  -6.922   3.409
  154   1H5*    G  15          1H5*        G  15  -5.011 -11.062  -2.819
  155   2H5*    G  15          2H5*        G  15  -3.934 -12.463  -2.925
  156    H4*    G  15           H4*        G  15  -3.136 -11.018  -1.226
  157    H3*    G  15           H3*        G  15  -4.357 -13.519  -0.020
  158    H2*    G  15           H2*        G  15  -3.561 -12.698   2.072
  159   2HO*    G  15          2HO*        G  15  -2.220 -10.727   2.072
  160    H1*    G  15           H1*        G  15  -4.241  -9.983   1.495
  161    H8     G  15           H8         G  15  -7.036 -12.339   0.594
  162    H1     G  15           H1         G  15  -6.891 -10.802   6.816
  163   1H2     G  15          1H2         G  15  -3.906  -9.223   6.046
  164   2H2     G  15          2H2         G  15  -5.079  -9.650   7.275
  165   1H5*    U  16          1H5*        U  16  -0.552 -14.011   1.886
  166   2H5*    U  16          2H5*        U  16  -0.176 -15.707   1.543
  167    H4*    U  16           H4*        U  16  -0.158 -15.406   3.887
  168    H3*    U  16           H3*        U  16  -2.673 -16.906   3.081
  169    H2*    U  16           H2*        U  16  -2.994 -17.210   5.439
  170   2HO*    U  16          2HO*        U  16  -0.572 -17.426   5.783
  171    H1*    U  16           H1*        U  16  -2.321 -14.521   6.027
  172    H3     U  16           H3         U  16  -6.762 -15.047   6.940
  173    H5     U  16           H5         U  16  -6.571 -14.806   2.754
  174    H6     U  16           H6         U  16  -4.182 -14.859   2.934
  175   1H5*    C  17          1H5*        C  17  -1.364 -19.432   6.049
  176   2H5*    C  17          2H5*        C  17  -1.243 -21.030   5.301
  177    H4*    C  17           H4*        C  17  -2.551 -21.386   7.149
  178    H3*    C  17           H3*        C  17  -4.501 -21.068   4.849
  179    H2*    C  17           H2*        C  17  -6.170 -21.697   6.431
  180   2HO*    C  17          2HO*        C  17  -5.516 -23.190   7.829
  181    H1*    C  17           H1*        C  17  -5.039 -20.103   8.511
  182   1H4     C  17          1H4         C  17  -9.487 -17.419   4.342
  183   2H4     C  17          2H4         C  17 -10.276 -17.569   5.898
  184    H5     C  17           H5         C  17  -7.147 -17.951   4.006
  185    H6     C  17           H6         C  17  -5.157 -18.883   5.041
  186   1H5*    G  18          1H5*        G  18  -5.073 -25.045   6.266
  187   2H5*    G  18          2H5*        G  18  -5.622 -26.131   4.983
  188    H4*    G  18           H4*        G  18  -7.125 -25.750   7.019
  189    H3*    G  18           H3*        G  18  -8.299 -25.517   4.234
  190    H2*    G  18           H2*        G  18 -10.378 -25.269   5.329
  191   2HO*    G  18          2HO*        G  18 -10.470 -25.692   7.696
  192    H1*    G  18           H1*        G  18  -9.160 -23.927   7.626
  193    H8     G  18           H8         G  18  -8.473 -21.910   4.611
  194    H1     G  18           H1         G  18 -13.397 -20.735   8.052
  195   1H2     G  18          1H2         G  18 -14.644 -22.574   8.637
  196   2H2     G  18          2H2         G  18 -13.965 -24.156   8.318
  197   1H5*    A  19          1H5*        A  19 -11.017 -30.267   4.549
  198   2H5*    A  19          2H5*        A  19 -12.062 -28.908   4.106
  199    H4*    A  19           H4*        A  19 -13.086 -30.355   5.777
  200    H3*    A  19           H3*        A  19 -12.510 -27.531   6.707
  201    H2*    A  19           H2*        A  19 -13.561 -28.125   8.765
  202   2HO*    A  19          2HO*        A  19 -15.043 -29.672   7.280
  203    H1*    A  19           H1*        A  19 -12.409 -30.703   8.907
  204    H8     A  19           H8         A  19  -9.555 -28.605   7.966
  205   1H6     A  19          1H6         A  19  -7.976 -27.785  12.507
  206   2H6     A  19          2H6         A  19  -8.764 -27.842  14.070
  207    H2     A  19           H2         A  19 -13.012 -29.036  13.361
  208   1H5*    G  20          1H5*        G  20 -16.277 -27.947   7.941
  209   2H5*    G  20          2H5*        G  20 -17.281 -26.569   7.460
  210    H4*    G  20           H4*        G  20 -17.272 -26.886   9.868
  211    H3*    G  20           H3*        G  20 -16.213 -24.314   8.762
  212    H2*    G  20           H2*        G  20 -15.502 -23.602  10.907
  213   2HO*    G  20          2HO*        G  20 -17.667 -24.595  11.734
  214    H1*    G  20           H1*        G  20 -14.800 -26.111  11.948
  215    H8     G  20           H8         G  20 -13.230 -25.656   8.560
  216    H1     G  20           H1         G  20  -9.521 -24.796  13.701
  217   1H2     G  20          1H2         G  20 -10.749 -24.741  15.518
  218   2H2     G  20          2H2         G  20 -12.498 -24.760  15.460
  219   1H5*    A  21          1H5*        A  21 -19.464 -22.947  11.769
  220   2H5*    A  21          2H5*        A  21 -19.661 -21.224  11.429
  221    H4*    A  21           H4*        A  21 -18.564 -22.078  13.621
  222    H3*    A  21           H3*        A  21 -17.607 -19.599  12.183
  223    H2*    A  21           H2*        A  21 -15.881 -19.500  14.052
  224   2HO*    A  21          2HO*        A  21 -17.319 -21.787  14.975
  225    H1*    A  21           H1*        A  21 -15.066 -21.836  13.728
  226    H8     A  21           H8         A  21 -16.297 -21.074  10.238
  227   1H6     A  21          1H6         A  21 -11.679 -21.470   8.350
  228   2H6     A  21          2H6         A  21 -10.186 -21.436   9.228
  229    H2     A  21           H2         A  21 -11.123 -22.270  13.423
  230   1H5*    G  22          1H5*        G  22 -17.527 -15.662  14.171
  231   2H5*    G  22          2H5*        G  22 -16.968 -15.691  12.490
  232    H4*    G  22           H4*        G  22 -15.998 -17.391  14.783
  233    H3*    G  22           H3*        G  22 -14.561 -15.372  13.036
  234    H2*    G  22           H2*        G  22 -12.660 -16.826  13.263
  235   2HO*    G  22          2HO*        G  22 -13.234 -17.040  15.710
  236    H1*    G  22           H1*        G  22 -13.926 -19.179  13.204
  237    H8     G  22           H8         G  22 -15.371 -17.212  10.699
  238    H1     G  22           H1         G  22  -9.348 -18.402   8.938
  239   1H2     G  22          1H2         G  22  -8.858 -19.201  12.252
  240   2H2     G  22          2H2         G  22  -8.191 -19.071  10.635
  241   1H5*    A  23          1H5*        A  23 -11.785 -15.551  16.171
  242   2H5*    A  23          2H5*        A  23 -11.751 -13.904  16.826
  243    H4*    A  23           H4*        A  23  -9.531 -14.430  16.445
  244    H3*    A  23           H3*        A  23 -10.485 -12.745  14.104
  245    H2*    A  23           H2*        A  23  -8.165 -12.764  13.420
  246   2HO*    A  23          2HO*        A  23  -6.961 -12.682  15.269
  247    H1*    A  23           H1*        A  23  -7.905 -15.513  13.798
  248    H8     A  23           H8         A  23 -11.366 -14.663  12.504
  249   1H6     A  23          1H6         A  23 -10.438 -15.106   7.740
  250   2H6     A  23          2H6         A  23  -8.955 -15.180   6.815
  251    H2     A  23           H2         A  23  -5.591 -15.293   9.767
  252   1H5*    C  24          1H5*        C  24  -7.327 -10.087  15.578
  253   2H5*    C  24          2H5*        C  24  -7.976  -8.458  15.335
  254    H4*    C  24           H4*        C  24  -5.883  -8.921  14.115
  255    H3*    C  24           H3*        C  24  -8.257  -8.220  12.355
  256    H2*    C  24           H2*        C  24  -6.572  -8.080  10.596
  257   2HO*    C  24          2HO*        C  24  -4.908  -7.521  12.498
  258    H1*    C  24           H1*        C  24  -5.542 -10.589  11.306
  259   1H4     C  24          1H4         C  24 -11.018 -12.543   8.353
  260   2H4     C  24          2H4         C  24  -9.883 -12.241   7.051
  261    H5     C  24           H5         C  24 -10.586 -11.893  10.641
  262    H6     C  24           H6         C  24  -9.031 -10.817  12.131
  263   1H5*    C  25          1H5*        C  25  -5.361  -5.409  11.407
  264   2H5*    C  25          2H5*        C  25  -6.062  -3.914  10.782
  265    H4*    C  25           H4*        C  25  -4.640  -5.694   9.348
  266    H3*    C  25           H3*        C  25  -5.522  -3.320   8.595
  267    H2*    C  25           H2*        C  25  -7.880  -4.135   8.490
  268   2HO*    C  25          2HO*        C  25  -6.560  -3.676   6.078
  269    H1*    C  25           H1*        C  25  -6.576  -6.351   6.791
  270   1H4     C  25          1H4         C  25 -11.933  -9.773   7.878
  271   2H4     C  25          2H4         C  25 -11.625  -9.799   6.154
  272    H5     C  25           H5         C  25 -10.720  -8.331   9.400
  273    H6     C  25           H6         C  25  -8.927  -6.715   9.593
  274   1H5*    G  26          1H5*        G  26  -5.242  -5.973   5.177
  275   2H5*    G  26          2H5*        G  26  -3.815  -5.630   4.197
  276    H4*    G  26           H4*        G  26  -6.021  -6.595   3.153
  277    H3*    G  26           H3*        G  26  -4.226  -4.562   1.826
  278    H2*    G  26           H2*        G  26  -5.657  -4.650  -0.029
  279   2HO*    G  26          2HO*        G  26  -6.267  -6.663  -0.468
  280    H1*    G  26           H1*        G  26  -8.108  -4.900   1.617
  281    H8     G  26           H8         G  26  -7.096  -2.137   3.289
  282    H1     G  26           H1         G  26  -8.744  -0.589  -2.715
  283   1H2     G  26          1H2         G  26  -7.843  -3.786  -3.516
  284   2H2     G  26          2H2         G  26  -8.366  -2.213  -4.074
  285   1H5*    G  27          1H5*        G  27  -4.511  -8.158  -0.462
  286   2H5*    G  27          2H5*        G  27  -3.182  -8.524  -1.574
  287    H4*    G  27           H4*        G  27  -5.353  -8.242  -2.695
  288    H3*    G  27           H3*        G  27  -3.203  -6.246  -3.475
  289    H2*    G  27           H2*        G  27  -4.792  -5.545  -5.182
  290   2HO*    G  27          2HO*        G  27  -6.623  -6.693  -5.612
  291    H1*    G  27           H1*        G  27  -6.835  -5.239  -3.276
  292    H8     G  27           H8         G  27  -3.937  -4.413  -1.202
  293    H1     G  27           H1         G  27  -5.562   0.373  -5.111
  294   1H2     G  27          1H2         G  27  -6.171  -2.138  -7.411
  295   2H2     G  27          2H2         G  27  -5.981  -0.423  -7.104
  296   1H5*    A  28          1H5*        A  28  -3.978  -7.119  -7.354
  297   2H5*    A  28          2H5*        A  28  -2.415  -7.594  -8.040
  298    H4*    A  28           H4*        A  28  -3.273  -5.731  -9.251
  299    H3*    A  28           H3*        A  28  -0.901  -4.939  -7.535
  300    H2*    A  28           H2*        A  28  -1.042  -2.814  -8.652
  301   2HO*    A  28          2HO*        A  28  -1.852  -3.999 -10.708
  302    H1*    A  28           H1*        A  28  -3.802  -2.617  -8.295
  303    H8     A  28           H8         A  28  -2.088  -4.261  -5.325
  304   1H6     A  28          1H6         A  28  -1.567  -0.245  -2.627
  305   2H6     A  28          2H6         A  28  -1.708   1.463  -2.987
  306    H2     A  28           H2         A  28  -2.699   1.801  -7.338
  307   1H5*    G  29          1H5*        G  29   0.199  -3.666 -11.323
  308   2H5*    G  29          2H5*        G  29   1.939  -3.868 -11.575
  309    H4*    G  29           H4*        G  29   1.120  -1.537 -11.766
  310    H3*    G  29           H3*        G  29   3.252  -2.065  -9.674
  311    H2*    G  29           H2*        G  29   3.256   0.289  -9.318
  312   2HO*    G  29          2HO*        G  29   3.142   1.249 -11.283
  313    H1*    G  29           H1*        G  29   0.443   0.572  -9.552
  314    H8     G  29           H8         G  29   1.612  -2.309  -7.355
  315    H1     G  29           H1         G  29   1.297   3.362  -4.366
  316   1H2     G  29          1H2         G  29   0.824   4.661  -7.531
  317   2H2     G  29          2H2         G  29   0.964   4.972  -5.813
  318   1H5*    A  30          1H5*        A  30   6.903   0.330 -12.046
  319   2H5*    A  30          2H5*        A  30   7.165   0.939 -10.410
  320    H4*    A  30           H4*        A  30   4.821   1.464 -12.215
  321    H3*    A  30           H3*        A  30   6.876   3.296 -10.946
  322    H2*    A  30           H2*        A  30   5.209   4.972 -10.907
  323   2HO*    A  30          2HO*        A  30   4.308   4.776 -12.955
  324    H1*    A  30           H1*        A  30   3.069   3.177 -10.276
  325    H8     A  30           H8         A  30   5.400   2.184  -7.776
  326   1H6     A  30          1H6         A  30   4.102   7.312  -4.542
  327   2H6     A  30          2H6         A  30   5.061   5.847  -4.565
  328    H2     A  30           H2         A  30   1.943   7.523  -8.455
  329   1H5*    U  31          1H5*        U  31   6.226   5.280 -14.913
  330   2H5*    U  31          2H5*        U  31   7.506   6.476 -15.162
  331    H4*    U  31           H4*        U  31   5.183   7.356 -14.689
  332    H3*    U  31           H3*        U  31   7.487   8.313 -12.966
  333    H2*    U  31           H2*        U  31   5.944   9.830 -12.009
  334   2HO*    U  31          2HO*        U  31   4.766  10.193 -14.052
  335    H1*    U  31           H1*        U  31   3.868   7.741 -11.772
  336    H3     U  31           H3         U  31   5.199   8.751  -7.504
  337    H5     U  31           H5         U  31   8.322   6.427  -9.069
  338    H6     U  31           H6         U  31   7.259   6.577 -11.210
  339   1H5*    A  32          1H5*        A  32   5.328  11.779 -14.881
  340   2H5*    A  32          2H5*        A  32   6.353  13.213 -14.749
  341    H4*    A  32           H4*        A  32   4.064  13.258 -13.628
  342    H3*    A  32           H3*        A  32   6.521  14.063 -12.050
  343    H2*    A  32           H2*        A  32   5.057  14.532 -10.269
  344   2HO*    A  32          2HO*        A  32   3.248  15.548 -10.720
  345    H1*    A  32           H1*        A  32   3.114  12.494 -11.061
  346    H8     A  32           H8         A  32   6.797  11.893 -10.006
  347   1H6     A  32          1H6         A  32   4.501  10.692  -4.383
  348   2H6     A  32          2H6         A  32   5.965  10.867  -5.328
  349    H2     A  32           H2         A  32   1.077  11.646  -7.103
  350   1H5*    U  33          1H5*        U  33   3.817  17.479 -11.756
  351   2H5*    U  33          2H5*        U  33   4.813  18.896 -11.399
  352    H4*    U  33           H4*        U  33   3.149  18.296  -9.649
  353    H3*    U  33           H3*        U  33   6.057  18.419  -8.812
  354    H2*    U  33           H2*        U  33   5.256  18.078  -6.583
  355   2HO*    U  33          2HO*        U  33   3.378  19.036  -6.175
  356    H1*    U  33           H1*        U  33   3.403  16.070  -7.354
  357    H3     U  33           H3         U  33   6.494  13.832  -4.908
  358    H5     U  33           H5         U  33   8.497  14.724  -8.485
  359    H6     U  33           H6         U  33   6.624  16.089  -9.103
  360   1H5*    C  34          1H5*        C  34   3.660  21.028  -6.385
  361   2H5*    C  34          2H5*        C  34   4.568  22.468  -5.905
  362    H4*    C  34           H4*        C  34   3.618  21.263  -4.002
  363    H3*    C  34           H3*        C  34   6.647  21.372  -4.055
  364    H2*    C  34           H2*        C  34   6.531  20.407  -1.862
  365   2HO*    C  34          2HO*        C  34   4.763  20.544  -0.631
  366    H1*    C  34           H1*        C  34   4.526  18.549  -2.604
  367   1H4     C  34          1H4         C  34   9.940  15.556  -4.723
  368   2H4     C  34          2H4         C  34   9.725  15.010  -3.074
  369    H5     C  34           H5         C  34   8.780  17.498  -5.620
  370    H6     C  34           H6         C  34   6.953  19.053  -5.247
  371   1H5*    A  35          1H5*        A  35   5.517  22.962  -0.356
  372   2H5*    A  35          2H5*        A  35   6.528  24.360   0.040
  373    H4*    A  35           H4*        A  35   6.637  22.754   1.806
  374    H3*    A  35           H3*        A  35   9.246  22.929   0.271
  375    H2*    A  35           H2*        A  35  10.128  21.487   1.983
  376   2HO*    A  35          2HO*        A  35   8.494  22.613   3.587
  377    H1*    A  35           H1*        A  35   7.918  19.757   1.910
  378    H8     A  35           H8         A  35   8.918  21.057  -1.524
  379   1H6     A  35          1H6         A  35  11.829  17.373  -2.786
  380   2H6     A  35          2H6         A  35  12.669  16.143  -1.864
  381    H2     A  35           H2         A  35  11.377  16.617   2.398
  382   1H5*    C  36          1H5*        C  36  10.095  23.715   4.310
  383   2H5*    C  36          2H5*        C  36  11.380  24.917   4.483
  384    H4*    C  36           H4*        C  36  11.902  22.859   5.636
  385    H3*    C  36           H3*        C  36  13.769  23.387   3.302
  386    H2*    C  36           H2*        C  36  15.052  21.556   4.270
  387   2HO*    C  36          2HO*        C  36  14.092  22.256   6.534
  388    H1*    C  36           H1*        C  36  12.797  19.944   4.445
  389   1H4     C  36          1H4         C  36  14.101  19.882  -2.006
  390   2H4     C  36          2H4         C  36  15.076  18.598  -1.321
  391    H5     C  36           H5         C  36  12.981  21.542  -0.636
  392    H6     C  36           H6         C  36  12.487  22.227   1.638
  393   1H5*    C  37          1H5*        C  37  16.289  22.972   6.373
  394   2H5*    C  37          2H5*        C  37  17.522  24.240   6.407
  395    H4*    C  37           H4*        C  37  18.497  22.025   6.422
  396    H3*    C  37           H3*        C  37  19.118  23.566   3.879
  397    H2*    C  37           H2*        C  37  20.667  21.760   3.458
  398   2HO*    C  37          2HO*        C  37  20.725  21.549   6.090
  399    H1*    C  37           H1*        C  37  18.764  19.804   4.160
  400   1H4     C  37          1H4         C  37  16.775  21.165  -1.901
  401   2H4     C  37          2H4         C  37  17.983  19.908  -2.073
  402    H5     C  37           H5         C  37  16.483  22.416   0.163
  403    H6     C  37           H6         C  37  17.192  22.615   2.476
  404   1H5*    C  38          1H5*        C  38  22.805  22.586   4.999
  405   2H5*    C  38          2H5*        C  38  23.843  24.019   5.016
  406    H4*    C  38           H4*        C  38  24.885  22.425   3.653
  407    H3*    C  38           H3*        C  38  23.626  24.524   1.865
  408    H2*    C  38           H2*        C  38  24.749  23.424   0.080
  409   2HO*    C  38          2HO*        C  38  26.632  22.966   1.739
  410    H1*    C  38           H1*        C  38  24.194  20.817   1.121
  411   1H4     C  38          1H4         C  38  19.187  22.872  -2.738
  412   2H4     C  38          2H4         C  38  20.105  21.711  -3.675
  413    H5     C  38           H5         C  38  19.894  23.631  -0.541
  414    H6     C  38           H6         C  38  21.610  23.438   1.166
  415    H3T    C  38           H3T        C  38  25.157  25.253   3.311
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  23.537  15.156 -12.858
    2   2H5*    G   1          2H5*        G   1  23.074  13.605 -12.152
    3    H4*    G   1           H4*        G   1  24.963  14.440 -10.986
    4    H3*    G   1           H3*        G   1  22.460  14.603  -9.286
    5    H2*    G   1           H2*        G   1  23.926  15.252  -7.497
    6   2HO*    G   1          2HO*        G   1  25.707  13.801  -8.415
    7    H1*    G   1           H1*        G   1  25.283  17.131  -9.070
    8    H8     G   1           H8         G   1  21.853  17.451 -10.317
    9    H1     G   1           H1         G   1  22.590  20.105  -4.523
   10   1H2     G   1          1H2         G   1  25.461  18.187  -4.345
   11   2H2     G   1          2H2         G   1  24.385  19.315  -3.548
   12    H5T    G   1           H5T        G   1  21.399  14.672 -11.047
   13   1H5*    G   2          1H5*        G   2  25.063  12.400  -6.940
   14   2H5*    G   2          2H5*        G   2  24.234  10.990  -6.263
   15    H4*    G   2           H4*        G   2  25.225  12.255  -4.502
   16    H3*    G   2           H3*        G   2  22.201  12.517  -4.468
   17    H2*    G   2           H2*        G   2  22.534  13.625  -2.358
   18   2HO*    G   2          2HO*        G   2  24.559  12.122  -2.022
   19    H1*    G   2           H1*        G   2  24.646  15.205  -3.354
   20    H8     G   2           H8         G   2  22.100  14.990  -6.062
   21    H1     G   2           H1         G   2  20.271  18.842  -1.270
   22   1H2     G   2          1H2         G   2  22.885  17.398   0.477
   23   2H2     G   2          2H2         G   2  21.556  18.536   0.482
   24   1H5*    G   3          1H5*        G   3  23.323  11.248  -0.660
   25   2H5*    G   3          2H5*        G   3  22.338   9.851  -0.200
   26    H4*    G   3           H4*        G   3  22.310  11.441   1.568
   27    H3*    G   3           H3*        G   3  19.640  11.307   0.138
   28    H2*    G   3           H2*        G   3  18.835  12.752   1.873
   29   2HO*    G   3          2HO*        G   3  20.563  11.582   3.393
   30    H1*    G   3           H1*        G   3  21.103  14.430   1.781
   31    H8     G   3           H8         G   3  20.310  13.602  -1.745
   32    H1     G   3           H1         G   3  16.361  18.008   0.736
   33   1H2     G   3          1H2         G   3  17.583  16.952   3.790
   34   2H2     G   3          2H2         G   3  16.477  17.993   2.920
   35   1H5*    U   4          1H5*        U   4  18.744  10.709   4.036
   36   2H5*    U   4          2H5*        U   4  17.654   9.335   4.271
   37    H4*    U   4           H4*        U   4  16.757  11.307   5.308
   38    H3*    U   4           H3*        U   4  15.153  10.430   2.890
   39    H2*    U   4           H2*        U   4  13.583  12.104   3.550
   40   2HO*    U   4          2HO*        U   4  14.919  13.093   5.745
   41    H1*    U   4           H1*        U   4  15.609  14.008   4.161
   42    H3     U   4           H3         U   4  13.328  15.723   0.607
   43    H5     U   4           H5         U   4  16.011  12.945  -1.034
   44    H6     U   4           H6         U   4  16.434  12.150   1.190
   45   1H5*    G   5          1H5*        G   5  12.497  10.339   6.237
   46   2H5*    G   5          2H5*        G   5  11.466   8.903   6.135
   47    H4*    G   5           H4*        G   5  10.085  10.814   6.385
   48    H3*    G   5           H3*        G   5   9.915   9.736   3.555
   49    H2*    G   5           H2*        G   5   8.128  11.330   3.275
   50   2HO*    G   5          2HO*        G   5   7.422  12.616   5.045
   51    H1*    G   5           H1*        G   5   9.611  13.412   4.415
   52    H8     G   5           H8         G   5  11.913  11.160   2.464
   53    H1     G   5           H1         G   5   8.763  15.416  -1.153
   54   1H2     G   5          1H2         G   5   6.560  15.577   1.504
   55   2H2     G   5          2H2         G   5   6.979  16.129  -0.102
   56   1H5*    A   6          1H5*        A   6   6.146   9.814   5.294
   57   2H5*    A   6          2H5*        A   6   5.042   8.545   4.757
   58    H4*    A   6           H4*        A   6   4.333  10.944   4.478
   59    H3*    A   6           H3*        A   6   3.338   8.906   3.094
   60    H2*    A   6           H2*        A   6   5.151   8.947   1.413
   61   2HO*    A   6          2HO*        A   6   2.721   9.996   0.657
   62    H1*    A   6           H1*        A   6   4.571  11.973   1.360
   63    H8     A   6           H8         A   6   7.932  10.052   1.525
   64   1H6     A   6          1H6         A   6   9.647  11.354  -2.834
   65   2H6     A   6          2H6         A   6   8.959  12.258  -4.167
   66    H2     A   6           H2         A   6   4.914  13.650  -2.857
   67   1H5*    C   7          1H5*        C   7   1.726  11.880   0.366
   68   2H5*    C   7          2H5*        C   7  -0.042  11.826   0.366
   69    H4*    C   7           H4*        C   7   1.173  11.641  -1.866
   70    H3*    C   7           H3*        C   7  -0.969   9.626  -1.136
   71    H2*    C   7           H2*        C   7  -0.687   8.806  -3.377
   72   2HO*    C   7          2HO*        C   7  -0.106  10.198  -4.887
   73    H1*    C   7           H1*        C   7   2.156   8.904  -3.217
   74   1H4     C   7          1H4         C   7   1.020   3.241  -0.186
   75   2H4     C   7          2H4         C   7   0.972   2.838  -1.888
   76    H5     C   7           H5         C   7   1.070   5.519   0.627
   77    H6     C   7           H6         C   7   1.188   7.854  -0.017
   78   1H5*    U   8          1H5*        U   8  -2.239  11.529  -4.693
   79   2H5*    U   8          2H5*        U   8  -3.999  11.699  -4.779
   80    H4*    U   8           H4*        U   8  -3.071  10.428  -6.651
   81    H3*    U   8           H3*        U   8  -4.966   8.888  -4.855
   82    H2*    U   8           H2*        U   8  -4.750   7.097  -6.418
   83   2HO*    U   8          2HO*        U   8  -4.661   8.804  -8.243
   84    H1*    U   8           H1*        U   8  -1.950   7.463  -6.775
   85    H3     U   8           H3         U   8  -2.595   3.352  -4.842
   86    H5     U   8           H5         U   8  -2.282   6.110  -1.701
   87    H6     U   8           H6         U   8  -2.622   7.859  -3.297
   88   1H5*    C   9          1H5*        C   9  -6.570   8.525  -8.707
   89   2H5*    C   9          2H5*        C   9  -8.338   8.609  -8.671
   90    H4*    C   9           H4*        C   9  -7.542   6.546  -9.676
   91    H3*    C   9           H3*        C   9  -9.061   6.169  -7.083
   92    H2*    C   9           H2*        C   9  -8.902   3.812  -7.533
   93   2HO*    C   9          2HO*        C   9  -7.644   4.523 -10.009
   94    H1*    C   9           H1*        C   9  -6.181   3.937  -8.210
   95   1H4     C   9          1H4         C   9  -5.406   4.251  -1.790
   96   2H4     C   9          2H4         C   9  -5.329   2.551  -2.202
   97    H5     C   9           H5         C   9  -6.236   5.932  -3.332
   98    H6     C   9           H6         C   9  -6.985   6.333  -5.605
   99   1H5*    C  10          1H5*        C  10 -10.716   3.874 -10.354
  100   2H5*    C  10          2H5*        C  10 -12.440   3.547 -10.133
  101    H4*    C  10           H4*        C  10 -11.045   1.526 -10.401
  102    H3*    C  10           H3*        C  10 -12.597   1.755  -7.810
  103    H2*    C  10           H2*        C  10 -11.853  -0.498  -7.395
  104   2HO*    C  10          2HO*        C  10 -11.125  -1.779  -8.971
  105    H1*    C  10           H1*        C  10  -9.200   0.074  -8.066
  106   1H4     C  10          1H4         C  10  -7.970   1.948  -2.561
  107   2H4     C  10          2H4         C  10  -9.541   2.149  -1.880
  108    H5     C  10           H5         C  10 -10.679   3.515  -4.259
  109    H6     C  10           H6         C  10 -11.098   2.841  -6.554
  110   1H5*    A  11          1H5*        A  11 -13.278  -1.738 -10.119
  111   2H5*    A  11          2H5*        A  11 -14.795  -2.583  -9.806
  112    H4*    A  11           H4*        A  11 -12.684  -3.904  -9.490
  113    H3*    A  11           H3*        A  11 -14.642  -3.767  -7.182
  114    H2*    A  11           H2*        A  11 -13.246  -5.458  -6.196
  115   2HO*    A  11          2HO*        A  11 -11.329  -6.147  -7.551
  116    H1*    A  11           H1*        A  11 -10.844  -4.143  -6.966
  117    H8     A  11           H8         A  11 -12.805  -1.368  -5.679
  118   1H6     A  11          1H6         A  11 -11.403  -3.241   0.054
  119   2H6     A  11          2H6         A  11 -12.114  -1.952  -0.896
  120    H2     A  11           H2         A  11 -10.239  -6.488  -2.792
  121   1H5*    G  12          1H5*        G  12 -16.340  -7.454  -5.768
  122   2H5*    G  12          2H5*        G  12 -14.636  -6.970  -5.853
  123    H4*    G  12           H4*        G  12 -15.720  -9.614  -6.775
  124    H3*    G  12           H3*        G  12 -15.621  -9.101  -4.148
  125    H2*    G  12           H2*        G  12 -13.226  -8.632  -3.916
  126   2HO*    G  12          2HO*        G  12 -12.454 -10.367  -2.936
  127    H1*    G  12           H1*        G  12 -12.942 -10.897  -5.836
  128    H8     G  12           H8         G  12 -11.514  -7.235  -5.912
  129    H1     G  12           H1         G  12  -7.315 -11.916  -7.105
  130   1H2     G  12          1H2         G  12  -8.332 -13.857  -7.175
  131   2H2     G  12          2H2         G  12 -10.058 -14.014  -6.941
  132   1H5*    A  13          1H5*        A  13 -17.350 -12.904  -2.273
  133   2H5*    A  13          2H5*        A  13 -17.268 -11.517  -1.173
  134    H4*    A  13           H4*        A  13 -15.171 -12.493  -3.081
  135    H3*    A  13           H3*        A  13 -15.126 -13.599  -0.714
  136    H2*    A  13           H2*        A  13 -15.679 -11.452   0.373
  137   2HO*    A  13          2HO*        A  13 -13.300 -12.586   0.890
  138    H1*    A  13           H1*        A  13 -13.264 -10.130  -1.010
  139    H8     A  13           H8         A  13 -16.561  -9.287  -1.872
  140   1H6     A  13          1H6         A  13 -16.285  -4.535  -0.859
  141   2H6     A  13          2H6         A  13 -14.869  -3.568  -0.507
  142    H2     A  13           H2         A  13 -11.489  -6.392   0.101
  143   1H5*    G  14          1H5*        G  14 -12.064 -13.382  -3.764
  144   2H5*    G  14          2H5*        G  14 -10.481 -14.142  -3.936
  145    H4*    G  14           H4*        G  14 -10.396 -11.683  -4.082
  146    H3*    G  14           H3*        G  14  -8.897 -13.060  -1.913
  147    H2*    G  14           H2*        G  14  -7.965 -10.902  -1.270
  148   2HO*    G  14          2HO*        G  14  -8.076 -10.181  -3.656
  149    H1*    G  14           H1*        G  14 -10.515  -9.713  -1.237
  150    H8     G  14           H8         G  14 -11.767 -12.554  -0.243
  151    H1     G  14           H1         G  14 -10.557  -8.628   4.152
  152   1H2     G  14          1H2         G  14  -8.684  -6.951   1.791
  153   2H2     G  14          2H2         G  14  -9.271  -6.967   3.440
  154   1H5*    G  15          1H5*        G  15  -5.148 -10.990  -2.903
  155   2H5*    G  15          2H5*        G  15  -4.119 -12.432  -2.936
  156    H4*    G  15           H4*        G  15  -3.379 -10.895  -1.241
  157    H3*    G  15           H3*        G  15  -4.519 -13.457  -0.086
  158    H2*    G  15           H2*        G  15  -3.793 -12.636   2.029
  159   2HO*    G  15          2HO*        G  15  -2.688 -10.277   1.533
  160    H1*    G  15           H1*        G  15  -4.571  -9.943   1.475
  161    H8     G  15           H8         G  15  -7.255 -12.406   0.507
  162    H1     G  15           H1         G  15  -7.225 -10.964   6.754
  163   1H2     G  15          1H2         G  15  -4.325  -9.217   6.029
  164   2H2     G  15          2H2         G  15  -5.483  -9.724   7.243
  165   1H5*    U  16          1H5*        U  16  -0.727 -13.782   1.863
  166   2H5*    U  16          2H5*        U  16  -0.255 -15.454   1.521
  167    H4*    U  16           H4*        U  16  -0.270 -15.153   3.865
  168    H3*    U  16           H3*        U  16  -2.683 -16.799   3.037
  169    H2*    U  16           H2*        U  16  -3.012 -17.122   5.392
  170   2HO*    U  16          2HO*        U  16  -0.633 -17.243   5.820
  171    H1*    U  16           H1*        U  16  -2.508 -14.399   5.988
  172    H3     U  16           H3         U  16  -6.926 -15.159   6.839
  173    H5     U  16           H5         U  16  -6.687 -14.884   2.656
  174    H6     U  16           H6         U  16  -4.302 -14.828   2.870
  175   1H5*    C  17          1H5*        C  17  -1.255 -19.258   6.020
  176   2H5*    C  17          2H5*        C  17  -1.045 -20.846   5.266
  177    H4*    C  17           H4*        C  17  -2.352 -21.275   7.100
  178    H3*    C  17           H3*        C  17  -4.288 -21.049   4.777
  179    H2*    C  17           H2*        C  17  -5.940 -21.776   6.340
  180   2HO*    C  17          2HO*        C  17  -4.299 -23.282   7.391
  181    H1*    C  17           H1*        C  17  -4.929 -20.119   8.431
  182   1H4     C  17          1H4         C  17  -9.422 -17.678   4.160
  183   2H4     C  17          2H4         C  17 -10.235 -17.865   5.700
  184    H5     C  17           H5         C  17  -7.051 -18.085   3.875
  185    H6     C  17           H6         C  17  -5.037 -18.906   4.956
  186   1H5*    G  18          1H5*        G  18  -4.643 -25.106   6.121
  187   2H5*    G  18          2H5*        G  18  -5.170 -26.179   4.820
  188    H4*    G  18           H4*        G  18  -6.655 -25.854   6.899
  189    H3*    G  18           H3*        G  18  -7.875 -25.712   4.126
  190    H2*    G  18           H2*        G  18  -9.950 -25.569   5.259
  191   2HO*    G  18          2HO*        G  18  -9.986 -25.963   7.622
  192    H1*    G  18           H1*        G  18  -8.776 -24.109   7.499
  193    H8     G  18           H8         G  18  -8.190 -22.106   4.470
  194    H1     G  18           H1         G  18 -13.230 -21.175   7.830
  195   1H2     G  18          1H2         G  18 -14.370 -23.070   8.423
  196   2H2     G  18          2H2         G  18 -13.599 -24.616   8.145
  197   1H5*    A  19          1H5*        A  19 -10.373 -30.530   4.332
  198   2H5*    A  19          2H5*        A  19 -11.447 -29.193   3.887
  199    H4*    A  19           H4*        A  19 -12.475 -30.701   5.498
  200    H3*    A  19           H3*        A  19 -12.004 -27.884   6.503
  201    H2*    A  19           H2*        A  19 -13.097 -28.553   8.519
  202   2HO*    A  19          2HO*        A  19 -14.487 -30.114   6.959
  203    H1*    A  19           H1*        A  19 -11.866 -31.092   8.646
  204    H8     A  19           H8         A  19  -9.056 -28.903   7.796
  205   1H6     A  19          1H6         A  19  -8.431 -28.160  13.921
  206   2H6     A  19          2H6         A  19  -7.605 -28.079  12.379
  207    H2     A  19           H2         A  19 -12.629 -29.454  13.103
  208   1H5*    G  20          1H5*        G  20 -15.813 -28.398   7.570
  209   2H5*    G  20          2H5*        G  20 -16.828 -27.026   7.093
  210    H4*    G  20           H4*        G  20 -16.871 -27.427   9.501
  211    H3*    G  20           H3*        G  20 -15.915 -24.788   8.475
  212    H2*    G  20           H2*        G  20 -15.217 -24.096  10.620
  213   2HO*    G  20          2HO*        G  20 -16.814 -24.501  12.008
  214    H1*    G  20           H1*        G  20 -14.507 -26.621  11.657
  215    H8     G  20           H8         G  20 -12.797 -26.078   8.361
  216    H1     G  20           H1         G  20  -9.348 -25.156  13.668
  217   1H2     G  20          1H2         G  20 -10.650 -25.217  15.431
  218   2H2     G  20          2H2         G  20 -12.393 -25.294  15.300
  219   1H5*    A  21          1H5*        A  21 -19.246 -23.650  11.439
  220   2H5*    A  21          2H5*        A  21 -19.591 -21.946  11.115
  221    H4*    A  21           H4*        A  21 -18.466 -22.653  13.312
  222    H3*    A  21           H3*        A  21 -17.529 -20.208  11.789
  223    H2*    A  21           H2*        A  21 -15.872 -20.018  13.742
  224   2HO*    A  21          2HO*        A  21 -17.238 -22.353  14.643
  225    H1*    A  21           H1*        A  21 -14.982 -22.327  13.471
  226    H8     A  21           H8         A  21 -16.149 -21.636   9.933
  227   1H6     A  21          1H6         A  21 -11.456 -21.810   8.173
  228   2H6     A  21          2H6         A  21  -9.996 -21.696   9.096
  229    H2     A  21           H2         A  21 -11.022 -22.650  13.245
  230   1H5*    G  22          1H5*        G  22 -17.847 -16.481  13.873
  231   2H5*    G  22          2H5*        G  22 -17.095 -16.135  12.310
  232    H4*    G  22           H4*        G  22 -16.185 -17.999  14.464
  233    H3*    G  22           H3*        G  22 -14.779 -15.856  12.837
  234    H2*    G  22           H2*        G  22 -12.817 -17.206  13.054
  235   2HO*    G  22          2HO*        G  22 -12.897 -17.540  15.346
  236    H1*    G  22           H1*        G  22 -13.942 -19.634  12.929
  237    H8     G  22           H8         G  22 -15.423 -17.734  10.407
  238    H1     G  22           H1         G  22  -9.310 -18.623   8.773
  239   1H2     G  22          1H2         G  22  -8.854 -19.416  12.094
  240   2H2     G  22          2H2         G  22  -8.161 -19.240  10.493
  241   1H5*    A  23          1H5*        A  23 -12.071 -15.965  16.025
  242   2H5*    A  23          2H5*        A  23 -12.104 -14.323  16.686
  243    H4*    A  23           H4*        A  23  -9.863 -14.781  16.303
  244    H3*    A  23           H3*        A  23 -10.858 -13.076  13.991
  245    H2*    A  23           H2*        A  23  -8.530 -13.004  13.335
  246   2HO*    A  23          2HO*        A  23  -7.155 -13.052  14.987
  247    H1*    A  23           H1*        A  23  -8.189 -15.756  13.666
  248    H8     A  23           H8         A  23 -11.651 -15.015  12.326
  249   1H6     A  23          1H6         A  23 -10.625 -15.358   7.573
  250   2H6     A  23          2H6         A  23  -9.123 -15.383   6.675
  251    H2     A  23           H2         A  23  -5.809 -15.357   9.681
  252   1H5*    C  24          1H5*        C  24  -7.802 -10.276  15.522
  253   2H5*    C  24          2H5*        C  24  -8.534  -8.688  15.246
  254    H4*    C  24           H4*        C  24  -6.390  -9.098  14.058
  255    H3*    C  24           H3*        C  24  -8.772  -8.417  12.303
  256    H2*    C  24           H2*        C  24  -7.104  -8.250  10.539
  257   2HO*    C  24          2HO*        C  24  -5.402  -7.438  12.038
  258    H1*    C  24           H1*        C  24  -5.984 -10.723  11.251
  259   1H4     C  24          1H4         C  24 -11.340 -12.834   8.185
  260   2H4     C  24          2H4         C  24 -10.204 -12.457   6.904
  261    H5     C  24           H5         C  24 -10.957 -12.214  10.495
  262    H6     C  24           H6         C  24  -9.461 -11.103  12.023
  263   1H5*    C  25          1H5*        C  25  -5.899  -5.522  11.394
  264   2H5*    C  25          2H5*        C  25  -6.635  -4.038  10.783
  265    H4*    C  25           H4*        C  25  -5.169  -5.762   9.327
  266    H3*    C  25           H3*        C  25  -6.121  -3.418   8.583
  267    H2*    C  25           H2*        C  25  -8.460  -4.302   8.531
  268   2HO*    C  25          2HO*        C  25  -7.210  -3.964   6.015
  269    H1*    C  25           H1*        C  25  -7.131  -6.468   6.789
  270   1H4     C  25          1H4         C  25 -12.287 -10.129   7.917
  271   2H4     C  25          2H4         C  25 -11.977 -10.131   6.195
  272    H5     C  25           H5         C  25 -11.153  -8.613   9.444
  273    H6     C  25           H6         C  25  -9.432  -6.916   9.630
  274   1H5*    G  26          1H5*        G  26  -5.901  -6.073   5.093
  275   2H5*    G  26          2H5*        G  26  -4.531  -5.628   4.073
  276    H4*    G  26           H4*        G  26  -6.775  -6.647   3.108
  277    H3*    G  26           H3*        G  26  -4.980  -4.645   1.749
  278    H2*    G  26           H2*        G  26  -6.455  -4.630  -0.066
  279   2HO*    G  26          2HO*        G  26  -6.746  -6.993  -0.013
  280    H1*    G  26           H1*        G  26  -8.889  -4.867   1.607
  281    H8     G  26           H8         G  26  -7.787  -2.204   3.375
  282    H1     G  26           H1         G  26  -9.505  -0.342  -2.512
  283   1H2     G  26          1H2         G  26  -8.512  -3.470  -3.511
  284   2H2     G  26          2H2         G  26  -9.082  -1.887  -3.985
  285   1H5*    G  27          1H5*        G  27  -5.385  -8.122  -0.682
  286   2H5*    G  27          2H5*        G  27  -4.027  -8.493  -1.758
  287    H4*    G  27           H4*        G  27  -6.127  -8.058  -2.959
  288    H3*    G  27           H3*        G  27  -3.852  -6.127  -3.512
  289    H2*    G  27           H2*        G  27  -5.302  -5.187  -5.204
  290   2HO*    G  27          2HO*        G  27  -6.326  -7.488  -5.480
  291    H1*    G  27           H1*        G  27  -7.476  -4.996  -3.426
  292    H8     G  27           H8         G  27  -4.656  -4.368  -1.169
  293    H1     G  27           H1         G  27  -6.152   0.715  -4.748
  294   1H2     G  27          1H2         G  27  -6.763  -1.591  -7.234
  295   2H2     G  27          2H2         G  27  -6.591   0.093  -6.777
  296   1H5*    A  28          1H5*        A  28  -4.650  -6.646  -7.311
  297   2H5*    A  28          2H5*        A  28  -3.166  -7.181  -8.118
  298    H4*    A  28           H4*        A  28  -3.878  -5.186  -9.162
  299    H3*    A  28           H3*        A  28  -1.479  -4.639  -7.389
  300    H2*    A  28           H2*        A  28  -1.495  -2.442  -8.362
  301   2HO*    A  28          2HO*        A  28  -2.218  -2.302 -10.375
  302    H1*    A  28           H1*        A  28  -4.250  -2.131  -7.996
  303    H8     A  28           H8         A  28  -2.530  -4.049  -5.175
  304   1H6     A  28          1H6         A  28  -1.959  -0.263  -2.151
  305   2H6     A  28          2H6         A  28  -2.098   1.469  -2.377
  306    H2     A  28           H2         A  28  -3.146   2.161  -6.665
  307   1H5*    G  29          1H5*        G  29  -0.259  -3.244 -11.027
  308   2H5*    G  29          2H5*        G  29   1.438  -3.633 -11.342
  309    H4*    G  29           H4*        G  29   1.040  -1.250 -11.425
  310    H3*    G  29           H3*        G  29   2.825  -2.091  -9.119
  311    H2*    G  29           H2*        G  29   3.120   0.252  -8.749
  312   2HO*    G  29          2HO*        G  29   2.307   1.794 -10.276
  313    H1*    G  29           H1*        G  29   0.407   0.893  -9.243
  314    H8     G  29           H8         G  29   1.165  -2.131  -7.018
  315    H1     G  29           H1         G  29   0.923   3.487  -3.926
  316   1H2     G  29          1H2         G  29   0.945   4.881  -7.084
  317   2H2     G  29          2H2         G  29   0.919   5.145  -5.354
  318   1H5*    A  30          1H5*        A  30   6.975  -0.360 -11.251
  319   2H5*    A  30          2H5*        A  30   7.332   0.180  -9.608
  320    H4*    A  30           H4*        A  30   5.212   1.162 -11.482
  321    H3*    A  30           H3*        A  30   7.358   2.560  -9.856
  322    H2*    A  30           H2*        A  30   5.954   4.466  -9.844
  323   2HO*    A  30          2HO*        A  30   5.301   4.439 -12.040
  324    H1*    A  30           H1*        A  30   3.534   2.970  -9.570
  325    H8     A  30           H8         A  30   5.389   1.439  -6.962
  326   1H6     A  30          1H6         A  30   4.278   6.372  -3.382
  327   2H6     A  30          2H6         A  30   4.956   4.757  -3.417
  328    H2     A  30           H2         A  30   2.903   7.306  -7.532
  329   1H5*    U  31          1H5*        U  31   7.573   4.782 -13.847
  330   2H5*    U  31          2H5*        U  31   8.903   5.942 -13.754
  331    H4*    U  31           H4*        U  31   6.446   6.756 -13.599
  332    H3*    U  31           H3*        U  31   8.580   7.792 -11.711
  333    H2*    U  31           H2*        U  31   6.921   9.318 -10.961
  334   2HO*    U  31          2HO*        U  31   5.385   9.912 -12.327
  335    H1*    U  31           H1*        U  31   4.887   7.179 -10.847
  336    H3     U  31           H3         U  31   5.808   8.439  -6.522
  337    H5     U  31           H5         U  31   8.924   5.849  -7.613
  338    H6     U  31           H6         U  31   8.107   5.933  -9.864
  339   1H5*    A  32          1H5*        A  32   6.584  11.027 -14.327
  340   2H5*    A  32          2H5*        A  32   7.512  12.527 -14.195
  341    H4*    A  32           H4*        A  32   5.048  12.604 -13.576
  342    H3*    A  32           H3*        A  32   7.114  13.694 -11.649
  343    H2*    A  32           H2*        A  32   5.343  14.227 -10.210
  344   2HO*    A  32          2HO*        A  32   4.093  15.337 -11.833
  345    H1*    A  32           H1*        A  32   3.603  12.076 -11.171
  346    H8     A  32           H8         A  32   7.013  11.821  -9.318
  347   1H6     A  32          1H6         A  32   3.614  10.770  -4.256
  348   2H6     A  32          2H6         A  32   5.242  10.898  -4.892
  349    H2     A  32           H2         A  32   0.816  11.540  -7.654
  350   1H5*    U  33          1H5*        U  33   4.273  17.000 -11.905
  351   2H5*    U  33          2H5*        U  33   5.229  18.432 -11.507
  352    H4*    U  33           H4*        U  33   3.390  17.873  -9.913
  353    H3*    U  33           H3*        U  33   6.195  18.141  -8.813
  354    H2*    U  33           H2*        U  33   5.202  17.877  -6.647
  355   2HO*    U  33          2HO*        U  33   3.213  18.605  -6.370
  356    H1*    U  33           H1*        U  33   3.544  15.732  -7.450
  357    H3     U  33           H3         U  33   6.604  13.742  -4.756
  358    H5     U  33           H5         U  33   8.709  14.525  -8.300
  359    H6     U  33           H6         U  33   6.841  15.840  -9.028
  360   1H5*    C  34          1H5*        C  34   3.643  20.760  -6.664
  361   2H5*    C  34          2H5*        C  34   4.473  22.266  -6.248
  362    H4*    C  34           H4*        C  34   3.563  21.181  -4.287
  363    H3*    C  34           H3*        C  34   6.595  21.247  -4.324
  364    H2*    C  34           H2*        C  34   6.445  20.409  -2.076
  365   2HO*    C  34          2HO*        C  34   4.225  21.723  -1.933
  366    H1*    C  34           H1*        C  34   4.461  18.512  -2.743
  367   1H4     C  34          1H4         C  34  10.151  15.768  -4.654
  368   2H4     C  34          2H4         C  34   9.914  15.252  -2.998
  369    H5     C  34           H5         C  34   8.833  17.539  -5.673
  370    H6     C  34           H6         C  34   6.895  18.974  -5.397
  371   1H5*    A  35          1H5*        A  35   5.568  23.012  -0.713
  372   2H5*    A  35          2H5*        A  35   6.556  24.455  -0.445
  373    H4*    A  35           H4*        A  35   6.773  22.997   1.423
  374    H3*    A  35           H3*        A  35   9.317  23.040  -0.228
  375    H2*    A  35           H2*        A  35  10.266  21.768   1.586
  376   2HO*    A  35          2HO*        A  35   9.237  21.516   3.530
  377    H1*    A  35           H1*        A  35   8.092  20.010   1.695
  378    H8     A  35           H8         A  35   8.854  21.038  -1.874
  379   1H6     A  35          1H6         A  35  11.911  17.421  -2.982
  380   2H6     A  35          2H6         A  35  12.870  16.328  -2.007
  381    H2     A  35           H2         A  35  11.735  17.068   2.261
  382   1H5*    C  36          1H5*        C  36  10.327  24.191   3.667
  383   2H5*    C  36          2H5*        C  36  11.608  25.409   3.686
  384    H4*    C  36           H4*        C  36  12.189  23.464   4.994
  385    H3*    C  36           H3*        C  36  13.959  23.779   2.548
  386    H2*    C  36           H2*        C  36  15.294  22.060   3.629
  387   2HO*    C  36          2HO*        C  36  13.363  22.126   5.749
  388    H1*    C  36           H1*        C  36  13.047  20.458   4.043
  389   1H4     C  36          1H4         C  36  14.297  19.878  -2.410
  390   2H4     C  36          2H4         C  36  15.360  18.723  -1.633
  391    H5     C  36           H5         C  36  13.086  21.573  -1.169
  392    H6     C  36           H6         C  36  12.606  22.442   1.043
  393   1H5*    C  37          1H5*        C  37  16.594  23.541   5.477
  394   2H5*    C  37          2H5*        C  37  17.802  24.831   5.400
  395    H4*    C  37           H4*        C  37  18.851  22.672   5.509
  396    H3*    C  37           H3*        C  37  19.272  23.991   2.805
  397    H2*    C  37           H2*        C  37  20.873  22.209   2.474
  398   2HO*    C  37          2HO*        C  37  21.207  22.259   5.028
  399    H1*    C  37           H1*        C  37  19.069  20.273   3.421
  400   1H4     C  37          1H4         C  37  16.808  21.162  -2.647
  401   2H4     C  37          2H4         C  37  18.053  19.936  -2.782
  402    H5     C  37           H5         C  37  16.558  22.548  -0.660
  403    H6     C  37           H6         C  37  17.333  22.908   1.612
  404   1H5*    C  38          1H5*        C  38  23.079  23.313   3.847
  405   2H5*    C  38          2H5*        C  38  24.029  24.796   3.677
  406    H4*    C  38           H4*        C  38  25.115  23.118   2.446
  407    H3*    C  38           H3*        C  38  23.695  24.961   0.503
  408    H2*    C  38           H2*        C  38  24.842  23.749  -1.196
  409   2HO*    C  38          2HO*        C  38  26.674  22.659  -0.815
  410    H1*    C  38           H1*        C  38  24.424  21.237   0.106
  411   1H4     C  38          1H4         C  38  19.170  22.614  -3.711
  412   2H4     C  38          2H4         C  38  20.138  21.448  -4.589
  413    H5     C  38           H5         C  38  19.933  23.660  -1.652
  414    H6     C  38           H6         C  38  21.699  23.702   0.014
  415    H3T    C  38           H3T        C  38  25.230  25.895   1.846
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  24.273  18.288 -11.012
    2   2H5*    G   1          2H5*        G   1  24.290  16.587 -10.540
    3    H4*    G   1           H4*        G   1  25.612  17.814  -9.001
    4    H3*    G   1           H3*        G   1  23.008  16.920  -7.733
    5    H2*    G   1           H2*        G   1  23.931  17.740  -5.676
    6   2HO*    G   1          2HO*        G   1  26.205  17.062  -6.489
    7    H1*    G   1           H1*        G   1  24.822  20.140  -6.839
    8    H8     G   1           H8         G   1  21.537  19.267  -8.393
    9    H1     G   1           H1         G   1  21.031  22.164  -2.694
   10   1H2     G   1          1H2         G   1  24.377  21.374  -2.335
   11   2H2     G   1          2H2         G   1  22.953  22.123  -1.642
   12    H5T    G   1           H5T        G   1  22.226  16.858  -9.656
   13   1H5*    G   2          1H5*        G   2  25.935  15.432  -5.209
   14   2H5*    G   2          2H5*        G   2  25.555  13.766  -4.748
   15    H4*    G   2           H4*        G   2  25.841  15.028  -2.769
   16    H3*    G   2           H3*        G   2  22.895  14.461  -3.221
   17    H2*    G   2           H2*        G   2  22.582  15.382  -1.028
   18   2HO*    G   2          2HO*        G   2  24.221  14.886   0.297
   19    H1*    G   2           H1*        G   2  24.305  17.563  -1.529
   20    H8     G   2           H8         G   2  22.186  16.727  -4.541
   21    H1     G   2           H1         G   2  19.052  20.077  -0.057
   22   1H2     G   2          1H2         G   2  21.825  19.461   1.911
   23   2H2     G   2          2H2         G   2  20.247  20.205   1.773
   24   1H5*    G   3          1H5*        G   3  23.889  13.030   0.532
   25   2H5*    G   3          2H5*        G   3  23.186  11.436   0.839
   26    H4*    G   3           H4*        G   3  22.638  12.956   2.617
   27    H3*    G   3           H3*        G   3  20.238  12.153   0.950
   28    H2*    G   3           H2*        G   3  18.924  13.334   2.573
   29   2HO*    G   3          2HO*        G   3  20.722  12.634   4.276
   30    H1*    G   3           H1*        G   3  20.668  15.545   2.662
   31    H8     G   3           H8         G   3  20.462  14.496  -0.907
   32    H1     G   3           H1         G   3  15.457  18.015   1.026
   33   1H2     G   3          1H2         G   3  16.661  17.427   4.211
   34   2H2     G   3          2H2         G   3  15.427  18.164   3.212
   35   1H5*    U   4          1H5*        U   4  19.169  11.295   4.787
   36   2H5*    U   4          2H5*        U   4  18.448   9.685   4.918
   37    H4*    U   4           H4*        U   4  16.976  11.313   5.862
   38    H3*    U   4           H3*        U   4  15.890  10.195   3.259
   39    H2*    U   4           H2*        U   4  13.891  11.395   3.806
   40   2HO*    U   4          2HO*        U   4  14.502  10.925   6.266
   41    H1*    U   4           H1*        U   4  15.316  13.703   4.660
   42    H3     U   4           H3         U   4  13.079  15.021   0.922
   43    H5     U   4           H5         U   4  16.494  13.026  -0.480
   44    H6     U   4           H6         U   4  16.847  12.217   1.748
   45   1H5*    G   5          1H5*        G   5  13.025   8.948   6.321
   46   2H5*    G   5          2H5*        G   5  12.342   7.386   5.845
   47    H4*    G   5           H4*        G   5  10.606   9.031   6.146
   48    H3*    G   5           H3*        G   5  10.932   8.184   3.253
   49    H2*    G   5           H2*        G   5   8.953   9.484   2.851
   50   2HO*    G   5          2HO*        G   5   7.593  10.076   4.439
   51    H1*    G   5           H1*        G   5   9.862  11.664   4.367
   52    H8     G   5           H8         G   5  12.721  10.108   2.466
   53    H1     G   5           H1         G   5   8.986  13.816  -1.188
   54   1H2     G   5          1H2         G   5   6.640  13.366   1.308
   55   2H2     G   5          2H2         G   5   7.016  14.041  -0.261
   56   1H5*    A   6          1H5*        A   6   6.911   7.296   4.622
   57   2H5*    A   6          2H5*        A   6   6.101   6.111   3.594
   58    H4*    A   6           H4*        A   6   5.254   8.565   3.823
   59    H3*    A   6           H3*        A   6   4.350   6.744   2.130
   60    H2*    A   6           H2*        A   6   6.273   7.039   0.557
   61   2HO*    A   6          2HO*        A   6   3.951   8.489  -0.194
   62    H1*    A   6           H1*        A   6   5.605  10.030   0.858
   63    H8     A   6           H8         A   6   9.016   8.238   1.037
   64   1H6     A   6          1H6         A   6  10.984  10.210  -2.974
   65   2H6     A   6          2H6         A   6  10.309  11.148  -4.289
   66    H2     A   6           H2         A   6   5.971  11.752  -3.373
   67   1H5*    C   7          1H5*        C   7   2.914  10.295   0.017
   68   2H5*    C   7          2H5*        C   7   1.149  10.385  -0.095
   69    H4*    C   7           H4*        C   7   2.373  10.722  -2.240
   70    H3*    C   7           H3*        C   7   0.326   8.497  -2.121
   71    H2*    C   7           H2*        C   7   0.761   8.201  -4.481
   72   2HO*    C   7          2HO*        C   7   1.894   9.661  -5.667
   73    H1*    C   7           H1*        C   7   3.549   8.169  -4.114
   74   1H4     C   7          1H4         C   7   2.409   2.208  -1.829
   75   2H4     C   7          2H4         C   7   2.127   2.024  -3.545
   76    H5     C   7           H5         C   7   2.599   4.363  -0.751
   77    H6     C   7           H6         C   7   2.647   6.749  -1.101
   78   1H5*    U   8          1H5*        U   8  -0.803  10.958  -5.272
   79   2H5*    U   8          2H5*        U   8  -2.526  11.374  -5.279
   80    H4*    U   8           H4*        U   8  -1.898  10.453  -7.403
   81    H3*    U   8           H3*        U   8  -3.728   8.657  -5.797
   82    H2*    U   8           H2*        U   8  -3.745   7.184  -7.691
   83   2HO*    U   8          2HO*        U   8  -3.418   9.286  -9.126
   84    H1*    U   8           H1*        U   8  -0.976   7.238  -8.024
   85    H3     U   8           H3         U   8  -2.029   3.187  -6.155
   86    H5     U   8           H5         U   8  -0.793   5.743  -3.074
   87    H6     U   8           H6         U   8  -1.231   7.584  -4.529
   88   1H5*    C   9          1H5*        C   9  -5.568   8.440  -9.190
   89   2H5*    C   9          2H5*        C   9  -7.308   8.732  -9.050
   90    H4*    C   9           H4*        C   9  -6.903   6.546  -9.959
   91    H3*    C   9           H3*        C   9  -8.065   6.476  -7.164
   92    H2*    C   9           H2*        C   9  -8.196   4.097  -7.442
   93   2HO*    C   9          2HO*        C   9  -8.602   4.539  -9.918
   94    H1*    C   9           H1*        C   9  -5.625   3.884  -8.554
   95   1H4     C   9          1H4         C   9  -3.897   4.236  -2.309
   96   2H4     C   9          2H4         C   9  -4.219   2.540  -2.606
   97    H5     C   9           H5         C   9  -4.541   5.980  -3.863
   98    H6     C   9           H6         C   9  -5.477   6.435  -6.052
   99   1H5*    C  10          1H5*        C  10 -10.554   4.261  -9.881
  100   2H5*    C  10          2H5*        C  10 -12.252   4.299  -9.388
  101    H4*    C  10           H4*        C  10 -11.426   2.035  -9.593
  102    H3*    C  10           H3*        C  10 -12.102   2.777  -6.730
  103    H2*    C  10           H2*        C  10 -11.797   0.404  -6.315
  104   2HO*    C  10          2HO*        C  10 -10.763  -0.453  -8.621
  105    H1*    C  10           H1*        C  10  -9.318   0.404  -7.575
  106   1H4     C  10          1H4         C  10  -8.120   3.781  -2.056
  107   2H4     C  10          2H4         C  10  -7.726   2.117  -1.683
  108    H5     C  10           H5         C  10  -9.478   4.389  -3.978
  109    H6     C  10           H6         C  10 -10.269   3.636  -6.130
  110   1H5*    A  11          1H5*        A  11 -14.535  -0.542  -8.309
  111   2H5*    A  11          2H5*        A  11 -15.885  -0.950  -7.246
  112    H4*    A  11           H4*        A  11 -14.181  -2.743  -7.700
  113    H3*    A  11           H3*        A  11 -14.726  -2.110  -4.779
  114    H2*    A  11           H2*        A  11 -13.518  -4.189  -4.432
  115   2HO*    A  11          2HO*        A  11 -13.187  -4.380  -7.267
  116    H1*    A  11           H1*        A  11 -11.458  -3.326  -6.179
  117    H8     A  11           H8         A  11 -12.390  -0.272  -4.376
  118   1H6     A  11          1H6         A  11 -10.015  -2.654   0.834
  119   2H6     A  11          2H6         A  11 -10.747  -1.234   0.116
  120    H2     A  11           H2         A  11  -9.999  -5.847  -2.306
  121   1H5*    G  12          1H5*        G  12 -15.822  -6.047  -6.606
  122   2H5*    G  12          2H5*        G  12 -17.272  -6.647  -5.800
  123    H4*    G  12           H4*        G  12 -16.172  -8.538  -5.889
  124    H3*    G  12           H3*        G  12 -15.892  -7.606  -3.273
  125    H2*    G  12           H2*        G  12 -13.461  -7.423  -3.240
  126   2HO*    G  12          2HO*        G  12 -12.764  -9.248  -2.380
  127    H1*    G  12           H1*        G  12 -13.631  -9.623  -5.244
  128    H8     G  12           H8         G  12 -11.729  -6.179  -5.318
  129    H1     G  12           H1         G  12  -8.369 -11.321  -7.141
  130   1H2     G  12          1H2         G  12  -9.663 -13.092  -7.214
  131   2H2     G  12          2H2         G  12 -11.368 -13.015  -6.826
  132   1H5*    A  13          1H5*        A  13 -17.871 -11.139  -0.966
  133   2H5*    A  13          2H5*        A  13 -17.444  -9.725   0.007
  134    H4*    A  13           H4*        A  13 -15.787 -11.084  -2.088
  135    H3*    A  13           H3*        A  13 -15.607 -12.144   0.272
  136    H2*    A  13           H2*        A  13 -15.706  -9.944   1.387
  137   2HO*    A  13          2HO*        A  13 -13.490 -11.394   1.642
  138    H1*    A  13           H1*        A  13 -13.331  -8.903  -0.240
  139    H8     A  13           H8         A  13 -16.647  -7.761  -0.915
  140   1H6     A  13          1H6         A  13 -15.794  -3.054  -0.272
  141   2H6     A  13          2H6         A  13 -14.270  -2.217  -0.070
  142    H2     A  13           H2         A  13 -11.150  -5.349   0.538
  143   1H5*    G  14          1H5*        G  14 -12.996 -12.407  -3.172
  144   2H5*    G  14          2H5*        G  14 -11.567 -13.376  -3.534
  145    H4*    G  14           H4*        G  14 -11.209 -10.945  -3.780
  146    H3*    G  14           H3*        G  14  -9.543 -12.501  -1.871
  147    H2*    G  14           H2*        G  14  -8.271 -10.484  -1.393
  148   2HO*    G  14          2HO*        G  14  -8.298  -8.802  -2.749
  149    H1*    G  14           H1*        G  14 -10.606  -8.974  -0.962
  150    H8     G  14           H8         G  14 -12.119 -11.558   0.234
  151    H1     G  14           H1         G  14  -9.523  -8.081   4.362
  152   1H2     G  14          1H2         G  14  -7.701  -6.718   1.755
  153   2H2     G  14          2H2         G  14  -7.989  -6.699   3.482
  154   1H5*    G  15          1H5*        G  15  -5.709 -10.915  -3.420
  155   2H5*    G  15          2H5*        G  15  -4.961 -12.502  -3.661
  156    H4*    G  15           H4*        G  15  -3.701 -11.208  -2.076
  157    H3*    G  15           H3*        G  15  -5.080 -13.599  -0.820
  158    H2*    G  15           H2*        G  15  -3.929 -13.024   1.181
  159   2HO*    G  15          2HO*        G  15  -2.006 -12.309  -0.359
  160    H1*    G  15           H1*        G  15  -4.257 -10.204   0.818
  161    H8     G  15           H8         G  15  -7.455 -12.122   0.244
  162    H1     G  15           H1         G  15  -6.204 -11.017   6.432
  163   1H2     G  15          1H2         G  15  -3.173  -9.803   5.295
  164   2H2     G  15          2H2         G  15  -4.214 -10.137   6.663
  165   1H5*    U  16          1H5*        U  16  -1.073 -14.672   0.416
  166   2H5*    U  16          2H5*        U  16  -0.995 -16.389  -0.006
  167    H4*    U  16           H4*        U  16  -0.532 -16.154   2.304
  168    H3*    U  16           H3*        U  16  -3.303 -17.339   1.923
  169    H2*    U  16           H2*        U  16  -3.236 -17.691   4.303
  170   2HO*    U  16          2HO*        U  16  -0.680 -17.936   4.009
  171    H1*    U  16           H1*        U  16  -2.220 -15.100   4.796
  172    H3     U  16           H3         U  16  -6.502 -15.207   6.376
  173    H5     U  16           H5         U  16  -6.918 -14.812   2.216
  174    H6     U  16           H6         U  16  -4.551 -15.135   2.024
  175   1H5*    C  17          1H5*        C  17  -2.002 -19.952   4.621
  176   2H5*    C  17          2H5*        C  17  -2.069 -21.554   3.874
  177    H4*    C  17           H4*        C  17  -3.192 -21.825   5.842
  178    H3*    C  17           H3*        C  17  -5.348 -21.389   3.764
  179    H2*    C  17           H2*        C  17  -6.885 -21.873   5.511
  180   2HO*    C  17          2HO*        C  17  -6.072 -23.554   6.656
  181    H1*    C  17           H1*        C  17  -5.387 -20.428   7.481
  182   1H4     C  17          1H4         C  17 -10.032 -17.013   4.134
  183   2H4     C  17          2H4         C  17 -10.597 -17.151   5.785
  184    H5     C  17           H5         C  17  -7.897 -17.891   3.401
  185    H6     C  17           H6         C  17  -5.912 -19.115   4.083
  186   1H5*    G  18          1H5*        G  18  -5.888 -25.455   5.172
  187   2H5*    G  18          2H5*        G  18  -6.766 -26.439   3.995
  188    H4*    G  18           H4*        G  18  -7.822 -25.933   6.296
  189    H3*    G  18           H3*        G  18  -9.442 -25.648   3.751
  190    H2*    G  18           H2*        G  18 -11.271 -25.159   5.151
  191   2HO*    G  18          2HO*        G  18 -11.080 -25.560   7.492
  192    H1*    G  18           H1*        G  18  -9.576 -23.918   7.188
  193    H8     G  18           H8         G  18  -9.269 -22.096   3.956
  194    H1     G  18           H1         G  18 -13.293 -20.241   8.254
  195   1H2     G  18          1H2         G  18 -14.693 -21.920   8.995
  196   2H2     G  18          2H2         G  18 -14.221 -23.571   8.652
  197   1H5*    A  19          1H5*        A  19 -12.301 -30.274   4.689
  198   2H5*    A  19          2H5*        A  19 -13.347 -28.928   4.207
  199    H4*    A  19           H4*        A  19 -14.294 -30.114   6.078
  200    H3*    A  19           H3*        A  19 -13.398 -27.302   6.742
  201    H2*    A  19           H2*        A  19 -14.261 -27.657   8.934
  202   2HO*    A  19          2HO*        A  19 -15.822 -29.087   9.344
  203    H1*    A  19           H1*        A  19 -13.322 -30.310   9.160
  204    H8     A  19           H8         A  19 -10.446 -28.505   7.738
  205   1H6     A  19          1H6         A  19  -8.186 -27.916  12.020
  206   2H6     A  19          2H6         A  19  -8.767 -27.833  13.670
  207    H2     A  19           H2         A  19 -13.192 -28.444  13.541
  208   1H5*    G  20          1H5*        G  20 -17.032 -27.317   8.379
  209   2H5*    G  20          2H5*        G  20 -17.967 -25.900   7.873
  210    H4*    G  20           H4*        G  20 -17.792 -25.975  10.271
  211    H3*    G  20           H3*        G  20 -16.450 -23.680   8.884
  212    H2*    G  20           H2*        G  20 -15.545 -22.902  10.934
  213   2HO*    G  20          2HO*        G  20 -17.000 -22.969  12.500
  214    H1*    G  20           H1*        G  20 -15.111 -25.405  12.129
  215    H8     G  20           H8         G  20 -13.766 -25.234   8.586
  216    H1     G  20           H1         G  20  -9.545 -24.794  13.381
  217   1H2     G  20          1H2         G  20 -10.600 -24.692  15.303
  218   2H2     G  20          2H2         G  20 -12.339 -24.520  15.399
  219   1H5*    A  21          1H5*        A  21 -19.391 -21.548  12.136
  220   2H5*    A  21          2H5*        A  21 -19.123 -19.880  11.611
  221    H4*    A  21           H4*        A  21 -18.312 -20.836  13.944
  222    H3*    A  21           H3*        A  21 -16.835 -18.700  12.388
  223    H2*    A  21           H2*        A  21 -15.254 -18.779  14.389
  224   2HO*    A  21          2HO*        A  21 -16.897 -20.940  15.237
  225    H1*    A  21           H1*        A  21 -14.753 -21.185  14.012
  226    H8     A  21           H8         A  21 -16.049 -20.184  10.576
  227   1H6     A  21          1H6         A  21 -11.701 -21.252   8.439
  228   2H6     A  21          2H6         A  21 -10.169 -21.519   9.205
  229    H2     A  21           H2         A  21 -10.913 -22.092  13.480
  230   1H5*    G  22          1H5*        G  22 -15.982 -14.489  15.137
  231   2H5*    G  22          2H5*        G  22 -16.158 -14.852  13.415
  232    H4*    G  22           H4*        G  22 -14.883 -16.696  15.435
  233    H3*    G  22           H3*        G  22 -13.465 -14.746  13.606
  234    H2*    G  22           H2*        G  22 -11.850 -16.480  13.304
  235   2HO*    G  22          2HO*        G  22 -12.935 -17.782  15.595
  236    H1*    G  22           H1*        G  22 -13.491 -18.606  13.417
  237    H8     G  22           H8         G  22 -14.996 -16.385  11.251
  238    H1     G  22           H1         G  22  -9.503 -18.183   8.529
  239   1H2     G  22          1H2         G  22  -8.727 -19.391  11.662
  240   2H2     G  22          2H2         G  22  -8.283 -19.240   9.973
  241   1H5*    A  23          1H5*        A  23 -10.215 -15.687  16.170
  242   2H5*    A  23          2H5*        A  23  -9.860 -14.140  16.955
  243    H4*    A  23           H4*        A  23  -7.809 -14.858  16.209
  244    H3*    A  23           H3*        A  23  -8.836 -12.921  14.104
  245    H2*    A  23           H2*        A  23  -6.640 -13.178  13.119
  246   2HO*    A  23          2HO*        A  23  -4.966 -13.952  14.248
  247    H1*    A  23           H1*        A  23  -6.710 -15.960  13.312
  248    H8     A  23           H8         A  23 -10.180 -14.664  12.573
  249   1H6     A  23          1H6         A  23  -9.995 -15.012   7.714
  250   2H6     A  23          2H6         A  23  -8.672 -15.162   6.580
  251    H2     A  23           H2         A  23  -4.945 -15.681   8.997
  252   1H5*    C  24          1H5*        C  24  -5.188 -10.661  15.200
  253   2H5*    C  24          2H5*        C  24  -5.720  -8.979  15.057
  254    H4*    C  24           H4*        C  24  -3.861  -9.642  13.548
  255    H3*    C  24           H3*        C  24  -6.363  -8.588  12.189
  256    H2*    C  24           H2*        C  24  -4.967  -8.580  10.194
  257   2HO*    C  24          2HO*        C  24  -2.777  -9.191  10.315
  258    H1*    C  24           H1*        C  24  -4.147 -11.216  10.674
  259   1H4     C  24          1H4         C  24 -10.196 -12.394   8.542
  260   2H4     C  24          2H4         C  24  -9.242 -12.148   7.092
  261    H5     C  24           H5         C  24  -9.362 -11.874  10.757
  262    H6     C  24           H6         C  24  -7.463 -11.096  12.024
  263   1H5*    C  25          1H5*        C  25  -3.297  -6.148  10.848
  264   2H5*    C  25          2H5*        C  25  -3.864  -4.537  10.404
  265    H4*    C  25           H4*        C  25  -2.938  -6.376   8.685
  266    H3*    C  25           H3*        C  25  -3.634  -3.885   8.161
  267    H2*    C  25           H2*        C  25  -6.060  -4.426   8.460
  268   2HO*    C  25          2HO*        C  25  -5.191  -4.192   5.766
  269    H1*    C  25           H1*        C  25  -5.343  -6.665   6.470
  270   1H4     C  25          1H4         C  25 -10.800  -9.541   8.322
  271   2H4     C  25          2H4         C  25 -10.789  -9.488   6.572
  272    H5     C  25           H5         C  25  -9.191  -8.334   9.675
  273    H6     C  25           H6         C  25  -7.214  -6.934   9.624
  274   1H5*    G  26          1H5*        G  26  -4.293  -6.381   4.608
  275   2H5*    G  26          2H5*        G  26  -3.040  -6.078   3.402
  276    H4*    G  26           H4*        G  26  -5.508  -6.747   2.752
  277    H3*    G  26           H3*        G  26  -3.738  -4.855   1.204
  278    H2*    G  26           H2*        G  26  -5.474  -4.666  -0.364
  279   2HO*    G  26          2HO*        G  26  -6.093  -6.865  -0.478
  280    H1*    G  26           H1*        G  26  -7.602  -4.675   1.694
  281    H8     G  26           H8         G  26  -5.861  -2.218   3.269
  282    H1     G  26           H1         G  26  -8.427  -0.017  -2.181
  283   1H2     G  26          1H2         G  26  -8.128  -3.222  -3.320
  284   2H2     G  26          2H2         G  26  -8.521  -1.557  -3.681
  285   1H5*    G  27          1H5*        G  27  -4.801  -8.232  -1.246
  286   2H5*    G  27          2H5*        G  27  -3.725  -8.574  -2.609
  287    H4*    G  27           H4*        G  27  -6.037  -7.969  -3.254
  288    H3*    G  27           H3*        G  27  -3.831  -6.159  -4.289
  289    H2*    G  27           H2*        G  27  -5.603  -5.114  -5.587
  290   2HO*    G  27          2HO*        G  27  -6.820  -7.256  -5.728
  291    H1*    G  27           H1*        G  27  -7.218  -4.793  -3.309
  292    H8     G  27           H8         G  27  -3.922  -4.456  -1.769
  293    H1     G  27           H1         G  27  -5.640   0.790  -4.998
  294   1H2     G  27          1H2         G  27  -6.936  -1.447  -7.297
  295   2H2     G  27          2H2         G  27  -6.496   0.208  -6.925
  296   1H5*    A  28          1H5*        A  28  -5.422  -6.663  -8.069
  297   2H5*    A  28          2H5*        A  28  -4.047  -7.216  -9.041
  298    H4*    A  28           H4*        A  28  -4.929  -5.200  -9.972
  299    H3*    A  28           H3*        A  28  -2.222  -4.750  -8.677
  300    H2*    A  28           H2*        A  28  -2.336  -2.545  -9.633
  301   2HO*    A  28          2HO*        A  28  -3.397  -2.434 -11.503
  302    H1*    A  28           H1*        A  28  -4.957  -2.130  -8.745
  303    H8     A  28           H8         A  28  -2.854  -4.159  -6.294
  304   1H6     A  28          1H6         A  28  -1.374  -0.439  -3.524
  305   2H6     A  28          2H6         A  28  -1.343   1.294  -3.774
  306    H2     A  28           H2         A  28  -3.160   2.068  -7.788
  307   1H5*    G  29          1H5*        G  29  -1.623  -3.077 -12.308
  308   2H5*    G  29          2H5*        G  29  -0.081  -3.628 -12.978
  309    H4*    G  29           H4*        G  29  -0.153  -1.234 -12.893
  310    H3*    G  29           H3*        G  29   1.843  -2.381 -10.920
  311    H2*    G  29           H2*        G  29   2.531  -0.092 -10.615
  312   2HO*    G  29          2HO*        G  29   2.342   1.228 -12.284
  313    H1*    G  29           H1*        G  29  -0.129   0.858 -10.510
  314    H8     G  29           H8         G  29   0.509  -2.425  -8.687
  315    H1     G  29           H1         G  29   1.738   2.828  -5.211
  316   1H2     G  29          1H2         G  29   1.292   4.533  -8.180
  317   2H2     G  29          2H2         G  29   1.667   4.625  -6.473
  318   1H5*    A  30          1H5*        A  30   3.460   0.273 -13.995
  319   2H5*    A  30          2H5*        A  30   5.170  -0.027 -14.320
  320    H4*    A  30           H4*        A  30   4.670   2.308 -13.823
  321    H3*    A  30           H3*        A  30   6.536   0.979 -11.848
  322    H2*    A  30           H2*        A  30   6.904   3.273 -11.057
  323   2HO*    A  30          2HO*        A  30   4.948   4.033 -13.008
  324    H1*    A  30           H1*        A  30   4.152   3.647 -10.765
  325    H8     A  30           H8         A  30   5.310   0.027 -10.373
  326   1H6     A  30          1H6         A  30   5.174   1.133  -4.270
  327   2H6     A  30          2H6         A  30   5.407  -0.093  -5.497
  328    H2     A  30           H2         A  30   4.548   5.014  -6.407
  329   1H5*    U  31          1H5*        U  31  10.684   3.274 -12.468
  330   2H5*    U  31          2H5*        U  31   8.931   3.506 -12.411
  331    H4*    U  31           H4*        U  31  10.882   4.565 -14.437
  332    H3*    U  31           H3*        U  31  10.395   5.935 -12.244
  333    H2*    U  31           H2*        U  31   7.943   5.436 -12.397
  334   2HO*    U  31          2HO*        U  31   7.399   7.788 -13.467
  335    H1*    U  31           H1*        U  31   8.378   6.634 -15.185
  336    H3     U  31           H3         U  31   3.947   7.273 -15.727
  337    H5     U  31           H5         U  31   4.623   3.151 -16.095
  338    H6     U  31           H6         U  31   6.761   3.485 -15.075
  339   1H5*    A  32          1H5*        A  32   8.865   8.861 -14.896
  340   2H5*    A  32          2H5*        A  32   9.906  10.283 -15.039
  341    H4*    A  32           H4*        A  32   7.634  10.961 -14.849
  342    H3*    A  32           H3*        A  32   9.482  12.257 -13.466
  343    H2*    A  32           H2*        A  32   9.342  10.709 -11.582
  344   2HO*    A  32          2HO*        A  32   9.034  12.227 -10.104
  345    H1*    A  32           H1*        A  32   6.306  11.194 -11.863
  346    H8     A  32           H8         A  32   8.864   8.554 -10.463
  347   1H6     A  32          1H6         A  32   6.311   7.355  -6.546
  348   2H6     A  32          2H6         A  32   4.665   7.672  -6.040
  349    H2     A  32           H2         A  32   2.823  10.296  -9.141
  350   1H5*    U  33          1H5*        U  33   5.373  14.166 -12.338
  351   2H5*    U  33          2H5*        U  33   5.491  15.890 -11.966
  352    H4*    U  33           H4*        U  33   4.270  14.542 -10.296
  353    H3*    U  33           H3*        U  33   6.700  16.004  -9.234
  354    H2*    U  33           H2*        U  33   5.911  15.314  -7.085
  355   2HO*    U  33          2HO*        U  33   3.805  15.118  -6.789
  356    H1*    U  33           H1*        U  33   5.240  12.691  -8.034
  357    H3     U  33           H3         U  33   8.525  11.721  -5.137
  358    H5     U  33           H5         U  33  10.510  13.394  -8.425
  359    H6     U  33           H6         U  33   8.381  14.248  -9.158
  360   1H5*    C  34          1H5*        C  34   3.141  17.535  -7.138
  361   2H5*    C  34          2H5*        C  34   3.421  19.240  -6.759
  362    H4*    C  34           H4*        C  34   2.828  18.019  -4.777
  363    H3*    C  34           H3*        C  34   5.723  18.927  -4.724
  364    H2*    C  34           H2*        C  34   5.698  18.164  -2.444
  365   2HO*    C  34          2HO*        C  34   3.586  17.185  -1.704
  366    H1*    C  34           H1*        C  34   4.351  15.767  -3.102
  367   1H4     C  34          1H4         C  34  10.550  14.432  -4.777
  368   2H4     C  34          2H4         C  34  10.361  13.837  -3.141
  369    H5     C  34           H5         C  34   8.970  15.977  -5.792
  370    H6     C  34           H6         C  34   6.741  16.923  -5.608
  371   1H5*    A  35          1H5*        A  35   3.979  20.319  -1.221
  372   2H5*    A  35          2H5*        A  35   4.544  21.955  -0.854
  373    H4*    A  35           H4*        A  35   4.952  20.510   1.010
  374    H3*    A  35           H3*        A  35   7.512  21.353  -0.374
  375    H2*    A  35           H2*        A  35   8.643  20.278   1.445
  376   2HO*    A  35          2HO*        A  35   7.636  20.422   3.334
  377    H1*    A  35           H1*        A  35   6.978  18.009   1.388
  378    H8     A  35           H8         A  35   7.874  19.332  -2.065
  379   1H6     A  35          1H6         A  35  11.829  16.607  -2.825
  380   2H6     A  35          2H6         A  35  12.865  15.680  -1.759
  381    H2     A  35           H2         A  35  11.031  15.869   2.321
  382   1H5*    C  36          1H5*        C  36   7.754  22.454   3.676
  383   2H5*    C  36          2H5*        C  36   8.638  23.968   3.894
  384    H4*    C  36           H4*        C  36   9.567  22.138   5.192
  385    H3*    C  36           H3*        C  36  11.467  23.176   3.064
  386    H2*    C  36           H2*        C  36  13.095  21.809   4.252
  387   2HO*    C  36          2HO*        C  36  11.725  22.237   6.360
  388    H1*    C  36           H1*        C  36  11.376  19.618   4.275
  389   1H4     C  36          1H4         C  36  13.244  19.320  -1.955
  390   2H4     C  36          2H4         C  36  14.453  18.419  -1.066
  391    H5     C  36           H5         C  36  11.647  20.790  -0.871
  392    H6     C  36           H6         C  36  10.785  21.549   1.269
  393   1H5*    C  37          1H5*        C  37  13.654  23.601   6.373
  394   2H5*    C  37          2H5*        C  37  14.361  25.219   6.487
  395    H4*    C  37           H4*        C  37  16.067  23.567   6.700
  396    H3*    C  37           H3*        C  37  16.308  25.017   4.041
  397    H2*    C  37           H2*        C  37  18.433  23.870   3.902
  398   2HO*    C  37          2HO*        C  37  18.525  24.018   6.446
  399    H1*    C  37           H1*        C  37  17.305  21.428   4.721
  400   1H4     C  37          1H4         C  37  15.382  21.279  -1.484
  401   2H4     C  37          2H4         C  37  16.936  20.473  -1.446
  402    H5     C  37           H5         C  37  14.593  22.670   0.350
  403    H6     C  37           H6         C  37  15.041  23.387   2.627
  404   1H5*    C  38          1H5*        C  38  19.984  25.689   5.527
  405   2H5*    C  38          2H5*        C  38  20.417  27.394   5.340
  406    H4*    C  38           H4*        C  38  22.079  26.097   4.284
  407    H3*    C  38           H3*        C  38  20.336  27.379   2.163
  408    H2*    C  38           H2*        C  38  21.917  26.535   0.600
  409   2HO*    C  38          2HO*        C  38  23.944  25.882   1.169
  410    H1*    C  38           H1*        C  38  22.203  24.050   1.995
  411   1H4     C  38          1H4         C  38  17.169  23.722  -2.332
  412   2H4     C  38          2H4         C  38  18.488  22.793  -3.014
  413    H5     C  38           H5         C  38  17.369  24.943  -0.245
  414    H6     C  38           H6         C  38  18.897  25.613   1.518
  415    H3T    C  38           H3T        C  38  21.407  28.761   3.570
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  25.394  14.837  -9.754
    2   2H5*    G   1          2H5*        G   1  24.800  13.269  -9.203
    3    H4*    G   1           H4*        G   1  26.449  14.037  -7.681
    4    H3*    G   1           H3*        G   1  23.676  14.168  -6.466
    5    H2*    G   1           H2*        G   1  24.786  14.739  -4.414
    6   2HO*    G   1          2HO*        G   1  26.703  13.304  -5.039
    7    H1*    G   1           H1*        G   1  26.415  16.662  -5.636
    8    H8     G   1           H8         G   1  23.318  17.100  -7.516
    9    H1     G   1           H1         G   1  22.829  19.380  -1.538
   10   1H2     G   1          1H2         G   1  25.584  17.393  -0.885
   11   2H2     G   1          2H2         G   1  24.361  18.476  -0.255
   12    H5T    G   1           H5T        G   1  22.956  14.312  -8.392
   13   1H5*    G   2          1H5*        G   2  25.737  11.798  -3.727
   14   2H5*    G   2          2H5*        G   2  24.766  10.367  -3.346
   15    H4*    G   2           H4*        G   2  25.355  11.473  -1.325
   16    H3*    G   2           H3*        G   2  22.407  11.855  -1.937
   17    H2*    G   2           H2*        G   2  22.291  12.807   0.272
   18   2HO*    G   2          2HO*        G   2  24.171  11.208   0.919
   19    H1*    G   2           H1*        G   2  24.601  14.369  -0.123
   20    H8     G   2           H8         G   2  22.753  14.441  -3.344
   21    H1     G   2           H1         G   2  19.865  17.938   1.190
   22   1H2     G   2          1H2         G   2  21.927  16.229   3.381
   23   2H2     G   2          2H2         G   2  20.621  17.376   3.172
   24   1H5*    G   3          1H5*        G   3  22.638  10.274   1.917
   25   2H5*    G   3          2H5*        G   3  21.480   8.947   2.089
   26    H4*    G   3           H4*        G   3  21.230  10.516   3.885
   27    H3*    G   3           H3*        G   3  18.861  10.518   1.993
   28    H2*    G   3           H2*        G   3  17.815  11.959   3.605
   29   2HO*    G   3          2HO*        G   3  19.184  10.694   5.374
   30    H1*    G   3           H1*        G   3  20.116  13.553   3.936
   31    H8     G   3           H8         G   3  20.013  12.868   0.315
   32    H1     G   3           H1         G   3  15.572  17.130   2.124
   33   1H2     G   3          1H2         G   3  16.148  15.926   5.311
   34   2H2     G   3          2H2         G   3  15.214  16.988   4.279
   35   1H5*    U   4          1H5*        U   4  17.229   9.990   5.649
   36   2H5*    U   4          2H5*        U   4  16.065   8.657   5.659
   37    H4*    U   4           H4*        U   4  15.059  10.662   6.521
   38    H3*    U   4           H3*        U   4  13.917   9.831   3.839
   39    H2*    U   4           H2*        U   4  12.310  11.561   4.183
   40   2HO*    U   4          2HO*        U   4  13.313  12.411   6.645
   41    H1*    U   4           H1*        U   4  14.243  13.405   5.162
   42    H3     U   4           H3         U   4  12.708  15.081   1.197
   43    H5     U   4           H5         U   4  15.586  12.214   0.149
   44    H6     U   4           H6         U   4  15.570  11.475   2.431
   45   1H5*    G   5          1H5*        G   5  10.606   9.680   6.641
   46   2H5*    G   5          2H5*        G   5   9.629   8.249   6.276
   47    H4*    G   5           H4*        G   5   8.218  10.160   6.305
   48    H3*    G   5           H3*        G   5   8.624   9.152   3.474
   49    H2*    G   5           H2*        G   5   6.950  10.770   2.863
   50   2HO*    G   5          2HO*        G   5   5.914  12.041   4.498
   51    H1*    G   5           H1*        G   5   8.154  12.816   4.344
   52    H8     G   5           H8         G   5  10.812  10.598   2.865
   53    H1     G   5           H1         G   5   8.425  14.864  -1.284
   54   1H2     G   5          1H2         G   5   5.736  14.994   0.878
   55   2H2     G   5          2H2         G   5   6.460  15.556  -0.612
   56   1H5*    A   6          1H5*        A   6   4.500   9.155   4.443
   57   2H5*    A   6          2H5*        A   6   3.551   7.974   3.538
   58    H4*    A   6           H4*        A   6   3.008  10.464   3.369
   59    H3*    A   6           H3*        A   6   2.165   8.559   1.705
   60    H2*    A   6           H2*        A   6   4.200   8.613   0.316
   61   2HO*    A   6          2HO*        A   6   1.968   9.725  -0.720
   62    H1*    A   6           H1*        A   6   3.847  11.675   0.423
   63    H8     A   6           H8         A   6   6.973   9.496   1.031
   64   1H6     A   6          1H6         A   6   9.517  10.857  -2.879
   65   2H6     A   6          2H6         A   6   9.113  11.805  -4.297
   66    H2     A   6           H2         A   6   4.924  13.276  -3.734
   67   1H5*    C   7          1H5*        C   7   1.138  11.617  -1.159
   68   2H5*    C   7          2H5*        C   7  -0.618  11.648  -1.367
   69    H4*    C   7           H4*        C   7   0.764  11.421  -3.457
   70    H3*    C   7           H3*        C   7  -1.386   9.354  -2.915
   71    H2*    C   7           H2*        C   7  -0.874   8.542  -5.120
   72   2HO*    C   7          2HO*        C   7  -0.376  10.967  -5.734
   73    H1*    C   7           H1*        C   7   1.941   8.762  -4.715
   74   1H4     C   7          1H4         C   7   0.743   2.971  -1.955
   75   2H4     C   7          2H4         C   7   0.671   2.622  -3.668
   76    H5     C   7           H5         C   7   0.793   5.221  -1.072
   77    H6     C   7           H6         C   7   0.829   7.575  -1.643
   78   1H5*    U   8          1H5*        U   8  -2.416  11.704  -6.422
   79   2H5*    U   8          2H5*        U   8  -4.150  12.026  -6.593
   80    H4*    U   8           H4*        U   8  -3.240  11.035  -8.608
   81    H3*    U   8           H3*        U   8  -5.220   9.287  -7.130
   82    H2*    U   8           H2*        U   8  -4.989   7.712  -8.914
   83   2HO*    U   8          2HO*        U   8  -4.426   8.371 -10.870
   84    H1*    U   8           H1*        U   8  -2.187   7.864  -8.981
   85    H3     U   8           H3         U   8  -3.275   3.808  -7.147
   86    H5     U   8           H5         U   8  -2.456   6.472  -4.023
   87    H6     U   8           H6         U   8  -2.894   8.265  -5.542
   88   1H5*    C   9          1H5*        C   9  -6.823   8.824 -10.714
   89   2H5*    C   9          2H5*        C   9  -8.583   9.002 -10.627
   90    H4*    C   9           H4*        C   9  -7.908   6.788 -11.385
   91    H3*    C   9           H3*        C   9  -9.382   6.838  -8.738
   92    H2*    C   9           H2*        C   9  -9.338   4.444  -8.853
   93   2HO*    C   9          2HO*        C   9  -9.552   4.648 -11.355
   94    H1*    C   9           H1*        C   9  -6.658   4.329  -9.716
   95   1H4     C   9          1H4         C   9  -5.326   4.913  -3.438
   96   2H4     C   9          2H4         C   9  -5.626   3.205  -3.689
   97    H5     C   9           H5         C   9  -5.960   6.599  -5.072
   98    H6     C   9           H6         C   9  -6.787   6.960  -7.324
   99   1H5*    C  10          1H5*        C  10 -11.386   4.281 -11.653
  100   2H5*    C  10          2H5*        C  10 -13.108   4.118 -11.283
  101    H4*    C  10           H4*        C  10 -11.832   1.987 -11.355
  102    H3*    C  10           H3*        C  10 -13.263   2.631  -8.759
  103    H2*    C  10           H2*        C  10 -12.639   0.392  -8.118
  104   2HO*    C  10          2HO*        C  10 -11.155  -0.072 -10.458
  105    H1*    C  10           H1*        C  10  -9.983   0.733  -8.914
  106   1H4     C  10          1H4         C  10  -9.982   4.268  -3.413
  107   2H4     C  10          2H4         C  10  -9.457   2.666  -2.945
  108    H5     C  10           H5         C  10 -10.979   4.740  -5.568
  109    H6     C  10           H6         C  10 -11.498   3.839  -7.750
  110   1H5*    A  11          1H5*        A  11 -14.634  -1.177 -10.597
  111   2H5*    A  11          2H5*        A  11 -16.071  -1.811  -9.790
  112    H4*    A  11           H4*        A  11 -13.816  -3.105  -9.721
  113    H3*    A  11           H3*        A  11 -15.586  -2.841  -7.264
  114    H2*    A  11           H2*        A  11 -13.970  -4.253  -6.236
  115   2HO*    A  11          2HO*        A  11 -12.194  -5.107  -7.694
  116    H1*    A  11           H1*        A  11 -11.718  -3.050  -7.499
  117    H8     A  11           H8         A  11 -13.401  -0.172  -6.171
  118   1H6     A  11          1H6         A  11 -12.160  -1.947  -0.366
  119   2H6     A  11          2H6         A  11 -12.773  -0.645  -1.364
  120    H2     A  11           H2         A  11 -11.100  -5.316  -3.110
  121   1H5*    G  12          1H5*        G  12 -16.874  -5.146  -4.447
  122   2H5*    G  12          2H5*        G  12 -15.359  -5.005  -5.277
  123    H4*    G  12           H4*        G  12 -17.279  -7.159  -6.027
  124    H3*    G  12           H3*        G  12 -16.609  -7.104  -3.466
  125    H2*    G  12           H2*        G  12 -14.172  -7.128  -3.692
  126   2HO*    G  12          2HO*        G  12 -13.693  -9.079  -2.939
  127    H1*    G  12           H1*        G  12 -14.822  -9.174  -5.767
  128    H8     G  12           H8         G  12 -12.355  -6.087  -5.809
  129    H1     G  12           H1         G  12  -9.963 -11.613  -7.959
  130   1H2     G  12          1H2         G  12 -11.560 -13.083  -8.245
  131   2H2     G  12          2H2         G  12 -13.229 -12.738  -7.853
  132   1H5*    A  13          1H5*        A  13 -18.732 -10.453  -1.479
  133   2H5*    A  13          2H5*        A  13 -18.150  -9.167  -0.412
  134    H4*    A  13           H4*        A  13 -16.692 -10.444  -2.700
  135    H3*    A  13           H3*        A  13 -16.555 -11.771  -0.469
  136    H2*    A  13           H2*        A  13 -16.393  -9.697   0.854
  137   2HO*    A  13          2HO*        A  13 -14.225 -11.336   0.780
  138    H1*    A  13           H1*        A  13 -13.968  -8.766  -0.789
  139    H8     A  13           H8         A  13 -17.155  -7.220  -1.063
  140   1H6     A  13          1H6         A  13 -16.003  -2.805   0.633
  141   2H6     A  13          2H6         A  13 -14.419  -2.059   0.652
  142    H2     A  13           H2         A  13 -11.453  -5.308  -0.020
  143   1H5*    G  14          1H5*        G  14 -14.157 -11.938  -4.026
  144   2H5*    G  14          2H5*        G  14 -12.874 -13.012  -4.583
  145    H4*    G  14           H4*        G  14 -12.222 -10.629  -4.583
  146    H3*    G  14           H3*        G  14 -10.729 -12.556  -2.882
  147    H2*    G  14           H2*        G  14  -9.177 -10.760  -2.315
  148   2HO*    G  14          2HO*        G  14  -9.507  -9.756  -4.555
  149    H1*    G  14           H1*        G  14 -11.309  -9.015  -1.690
  150    H8     G  14           H8         G  14 -13.008 -11.554  -0.544
  151    H1     G  14           H1         G  14  -9.775  -8.460   3.522
  152   1H2     G  14          1H2         G  14  -7.712  -7.489   0.912
  153   2H2     G  14          2H2         G  14  -7.953  -7.457   2.645
  154   1H5*    G  15          1H5*        G  15  -6.576 -11.749  -4.583
  155   2H5*    G  15          2H5*        G  15  -6.207 -13.479  -4.586
  156    H4*    G  15           H4*        G  15  -4.819 -12.099  -3.066
  157    H3*    G  15           H3*        G  15  -6.341 -14.397  -1.824
  158    H2*    G  15           H2*        G  15  -5.267 -13.832   0.213
  159   2HO*    G  15          2HO*        G  15  -3.147 -13.533  -0.655
  160    H1*    G  15           H1*        G  15  -5.347 -11.003  -0.255
  161    H8     G  15           H8         G  15  -8.647 -12.903  -0.642
  162    H1     G  15           H1         G  15  -7.149 -11.368   5.398
  163   1H2     G  15          1H2         G  15  -4.349  -9.896   4.009
  164   2H2     G  15          2H2         G  15  -5.278 -10.236   5.453
  165   1H5*    U  16          1H5*        U  16  -1.837 -14.961  -0.941
  166   2H5*    U  16          2H5*        U  16  -1.666 -16.722  -0.980
  167    H4*    U  16           H4*        U  16  -0.719 -15.793   1.037
  168    H3*    U  16           H3*        U  16  -3.171 -17.499   1.555
  169    H2*    U  16           H2*        U  16  -2.606 -17.255   3.880
  170   2HO*    U  16          2HO*        U  16  -0.364 -17.331   3.894
  171    H1*    U  16           H1*        U  16  -2.147 -14.484   3.633
  172    H3     U  16           H3         U  16  -5.992 -15.128   6.045
  173    H5     U  16           H5         U  16  -7.135 -15.656   2.041
  174    H6     U  16           H6         U  16  -4.810 -15.622   1.455
  175   1H5*    C  17          1H5*        C  17  -0.758 -19.211   4.387
  176   2H5*    C  17          2H5*        C  17  -0.581 -20.891   3.858
  177    H4*    C  17           H4*        C  17  -1.205 -21.056   6.065
  178    H3*    C  17           H3*        C  17  -3.735 -21.456   4.438
  179    H2*    C  17           H2*        C  17  -4.765 -21.991   6.523
  180   2HO*    C  17          2HO*        C  17  -2.529 -23.012   7.198
  181    H1*    C  17           H1*        C  17  -3.439 -19.887   7.922
  182   1H4     C  17          1H4         C  17  -9.028 -17.887   4.876
  183   2H4     C  17          2H4         C  17  -9.389 -17.965   6.588
  184    H5     C  17           H5         C  17  -6.860 -18.486   3.968
  185    H6     C  17           H6         C  17  -4.635 -19.289   4.512
  186   1H5*    G  18          1H5*        G  18  -3.269 -25.178   6.468
  187   2H5*    G  18          2H5*        G  18  -3.997 -26.492   5.536
  188    H4*    G  18           H4*        G  18  -4.974 -25.905   7.832
  189    H3*    G  18           H3*        G  18  -6.814 -26.218   5.443
  190    H2*    G  18           H2*        G  18  -8.586 -25.918   6.970
  191   2HO*    G  18          2HO*        G  18  -8.119 -25.969   9.310
  192    H1*    G  18           H1*        G  18  -7.030 -24.121   8.665
  193    H8     G  18           H8         G  18  -7.193 -22.637   5.291
  194    H1     G  18           H1         G  18 -11.277 -21.075   9.603
  195   1H2     G  18          1H2         G  18 -12.307 -22.854  10.638
  196   2H2     G  18          2H2         G  18 -11.581 -24.434  10.437
  197   1H5*    A  19          1H5*        A  19  -8.774 -31.097   7.058
  198   2H5*    A  19          2H5*        A  19 -10.017 -29.930   6.578
  199    H4*    A  19           H4*        A  19 -10.605 -31.099   8.626
  200    H3*    A  19           H3*        A  19 -10.188 -28.116   8.916
  201    H2*    A  19           H2*        A  19 -10.821 -28.366  11.208
  202   2HO*    A  19          2HO*        A  19 -12.051 -30.633  10.221
  203    H1*    A  19           H1*        A  19  -9.390 -30.757  11.619
  204    H8     A  19           H8         A  19  -6.960 -28.738   9.765
  205   1H6     A  19          1H6         A  19  -4.570 -27.233  13.733
  206   2H6     A  19          2H6         A  19  -5.018 -27.125  15.423
  207    H2     A  19           H2         A  19  -9.284 -28.412  15.741
  208   1H5*    G  20          1H5*        G  20 -13.691 -28.552  10.871
  209   2H5*    G  20          2H5*        G  20 -14.870 -27.359  10.295
  210    H4*    G  20           H4*        G  20 -14.505 -27.149  12.681
  211    H3*    G  20           H3*        G  20 -13.730 -24.835  10.939
  212    H2*    G  20           H2*        G  20 -12.791 -23.680  12.789
  213   2HO*    G  20          2HO*        G  20 -14.091 -23.782  14.487
  214    H1*    G  20           H1*        G  20 -11.855 -25.925  14.200
  215    H8     G  20           H8         G  20 -10.784 -25.951  10.566
  216    H1     G  20           H1         G  20  -6.393 -24.330  14.924
  217   1H2     G  20          1H2         G  20  -7.320 -24.146  16.900
  218   2H2     G  20          2H2         G  20  -9.051 -24.236  17.131
  219   1H5*    A  21          1H5*        A  21 -16.721 -22.852  14.207
  220   2H5*    A  21          2H5*        A  21 -16.823 -21.243  13.478
  221    H4*    A  21           H4*        A  21 -15.652 -21.715  15.793
  222    H3*    A  21           H3*        A  21 -14.687 -19.609  13.843
  223    H2*    A  21           H2*        A  21 -12.964 -19.165  15.677
  224   2HO*    A  21          2HO*        A  21 -14.598 -20.016  17.341
  225    H1*    A  21           H1*        A  21 -12.092 -21.490  15.548
  226    H8     A  21           H8         A  21 -13.808 -21.173  12.162
  227   1H6     A  21          1H6         A  21  -9.527 -21.781   9.739
  228   2H6     A  21          2H6         A  21  -7.912 -21.704  10.367
  229    H2     A  21           H2         A  21  -8.204 -21.828  14.739
  230   1H5*    G  22          1H5*        G  22 -14.372 -14.951  15.887
  231   2H5*    G  22          2H5*        G  22 -14.602 -15.618  14.265
  232    H4*    G  22           H4*        G  22 -12.866 -16.861  16.402
  233    H3*    G  22           H3*        G  22 -11.976 -15.074  14.118
  234    H2*    G  22           H2*        G  22 -10.088 -16.535  13.966
  235   2HO*    G  22          2HO*        G  22 -10.798 -17.649  16.487
  236    H1*    G  22           H1*        G  22 -11.328 -18.844  14.523
  237    H8     G  22           H8         G  22 -13.382 -17.199  12.289
  238    H1     G  22           H1         G  22  -7.930 -18.382   9.194
  239   1H2     G  22          1H2         G  22  -6.696 -19.166  12.306
  240   2H2     G  22          2H2         G  22  -6.436 -19.104  10.575
  241   1H5*    A  23          1H5*        A  23  -8.404 -15.126  16.110
  242   2H5*    A  23          2H5*        A  23  -8.294 -13.500  16.804
  243    H4*    A  23           H4*        A  23  -6.230 -13.755  15.886
  244    H3*    A  23           H3*        A  23  -7.862 -12.368  13.730
  245    H2*    A  23           H2*        A  23  -5.769 -12.225  12.532
  246   2HO*    A  23          2HO*        A  23  -4.126 -11.945  13.933
  247    H1*    A  23           H1*        A  23  -5.152 -14.901  12.966
  248    H8     A  23           H8         A  23  -8.894 -14.452  12.563
  249   1H6     A  23          1H6         A  23  -9.153 -15.336   7.788
  250   2H6     A  23          2H6         A  23  -7.949 -15.468   6.526
  251    H2     A  23           H2         A  23  -3.957 -14.944   8.483
  252   1H5*    C  24          1H5*        C  24  -4.735  -9.607  14.067
  253   2H5*    C  24          2H5*        C  24  -5.444  -7.985  14.033
  254    H4*    C  24           H4*        C  24  -3.848  -8.348  12.233
  255    H3*    C  24           H3*        C  24  -6.690  -7.930  11.243
  256    H2*    C  24           H2*        C  24  -5.619  -7.750   9.062
  257   2HO*    C  24          2HO*        C  24  -3.600  -6.799  10.188
  258    H1*    C  24           H1*        C  24  -4.108 -10.083   9.539
  259   1H4     C  24          1H4         C  24  -9.801 -12.889   8.070
  260   2H4     C  24          2H4         C  24  -9.052 -12.537   6.527
  261    H5     C  24           H5         C  24  -8.935 -12.037  10.175
  262    H6     C  24           H6         C  24  -7.224 -10.698  11.208
  263   1H5*    C  25          1H5*        C  25  -4.271  -4.788   9.809
  264   2H5*    C  25          2H5*        C  25  -5.143  -3.304   9.417
  265    H4*    C  25           H4*        C  25  -3.870  -4.666   7.611
  266    H3*    C  25           H3*        C  25  -5.506  -2.631   7.178
  267    H2*    C  25           H2*        C  25  -7.526  -4.048   7.468
  268   2HO*    C  25          2HO*        C  25  -7.659  -4.518   4.806
  269    H1*    C  25           H1*        C  25  -6.035  -5.869   5.478
  270   1H4     C  25          1H4         C  25 -10.640 -10.073   7.562
  271   2H4     C  25          2H4         C  25 -10.697 -10.068   5.813
  272    H5     C  25           H5         C  25  -9.322  -8.482   8.832
  273    H6     C  25           H6         C  25  -7.613  -6.777   8.687
  274   1H5*    G  26          1H5*        G  26  -5.218  -5.116   3.635
  275   2H5*    G  26          2H5*        G  26  -4.355  -4.345   2.307
  276    H4*    G  26           H4*        G  26  -6.586  -5.910   2.108
  277    H3*    G  26           H3*        G  26  -5.225  -4.092   0.169
  278    H2*    G  26           H2*        G  26  -6.999  -4.203  -1.321
  279   2HO*    G  26          2HO*        G  26  -7.877  -6.149  -1.479
  280    H1*    G  26           H1*        G  26  -9.131  -4.068   0.712
  281    H8     G  26           H8         G  26  -7.381  -1.605   2.263
  282    H1     G  26           H1         G  26  -9.448   0.613  -3.390
  283   1H2     G  26          1H2         G  26  -9.529  -2.689  -4.350
  284   2H2     G  26          2H2         G  26  -9.715  -1.012  -4.814
  285   1H5*    G  27          1H5*        G  27  -6.198  -7.540  -2.045
  286   2H5*    G  27          2H5*        G  27  -4.992  -7.948  -3.278
  287    H4*    G  27           H4*        G  27  -7.220  -7.379  -4.193
  288    H3*    G  27           H3*        G  27  -4.895  -5.627  -5.047
  289    H2*    G  27           H2*        G  27  -6.470  -4.548  -6.525
  290   2HO*    G  27          2HO*        G  27  -7.737  -6.840  -6.481
  291    H1*    G  27           H1*        G  27  -8.391  -4.231  -4.486
  292    H8     G  27           H8         G  27  -5.351  -3.759  -2.537
  293    H1     G  27           H1         G  27  -6.803   1.345  -6.118
  294   1H2     G  27          1H2         G  27  -7.819  -0.995  -8.457
  295   2H2     G  27          2H2         G  27  -7.495   0.687  -8.087
  296   1H5*    A  28          1H5*        A  28  -6.128  -6.193  -8.971
  297   2H5*    A  28          2H5*        A  28  -4.697  -6.882  -9.756
  298    H4*    A  28           H4*        A  28  -5.283  -4.931 -10.937
  299    H3*    A  28           H3*        A  28  -2.844  -4.389  -9.216
  300    H2*    A  28           H2*        A  28  -2.747  -2.273 -10.349
  301   2HO*    A  28          2HO*        A  28  -3.738  -1.933 -12.241
  302    H1*    A  28           H1*        A  28  -5.484  -1.785 -10.005
  303    H8     A  28           H8         A  28  -3.698  -3.581  -7.123
  304   1H6     A  28          1H6         A  28  -2.758   0.343  -4.417
  305   2H6     A  28          2H6         A  28  -2.801   2.062  -4.745
  306    H2     A  28           H2         A  28  -4.208   2.540  -8.970
  307   1H5*    G  29          1H5*        G  29  -1.665  -3.147 -12.833
  308   2H5*    G  29          2H5*        G  29  -0.007  -3.637 -13.204
  309    H4*    G  29           H4*        G  29  -0.314  -1.232 -13.324
  310    H3*    G  29           H3*        G  29   1.595  -2.114 -11.139
  311    H2*    G  29           H2*        G  29   2.064   0.234 -10.908
  312   2HO*    G  29          2HO*        G  29   0.260   0.907 -12.985
  313    H1*    G  29           H1*        G  29  -0.652   0.984 -11.101
  314    H8     G  29           H8         G  29  -0.089  -2.098  -8.971
  315    H1     G  29           H1         G  29   0.548   3.451  -5.808
  316   1H2     G  29          1H2         G  29   0.546   4.905  -8.937
  317   2H2     G  29          2H2         G  29   0.604   5.134  -7.203
  318   1H5*    A  30          1H5*        A  30   3.711   0.209 -14.331
  319   2H5*    A  30          2H5*        A  30   5.464   0.219 -14.101
  320    H4*    A  30           H4*        A  30   4.084   2.403 -13.841
  321    H3*    A  30           H3*        A  30   6.313   1.653 -11.935
  322    H2*    A  30           H2*        A  30   5.864   3.753 -10.844
  323   2HO*    A  30          2HO*        A  30   4.050   5.060 -11.802
  324    H1*    A  30           H1*        A  30   3.083   3.423 -10.846
  325    H8     A  30           H8         A  30   4.710   0.097 -10.220
  326   1H6     A  30          1H6         A  30   4.832   1.638  -4.220
  327   2H6     A  30          2H6         A  30   5.150   0.362  -5.376
  328    H2     A  30           H2         A  30   3.564   5.236  -6.554
  329   1H5*    U  31          1H5*        U  31   9.882   4.805 -13.299
  330   2H5*    U  31          2H5*        U  31   9.881   4.919 -11.537
  331    H4*    U  31           H4*        U  31   7.751   5.830 -13.453
  332    H3*    U  31           H3*        U  31   9.325   7.251 -11.275
  333    H2*    U  31           H2*        U  31   7.525   8.747 -11.106
  334   2HO*    U  31          2HO*        U  31   7.291   8.437 -13.658
  335    H1*    U  31           H1*        U  31   5.532   6.621 -11.647
  336    H3     U  31           H3         U  31   4.472   8.618  -7.624
  337    H5     U  31           H5         U  31   7.168   5.518  -6.777
  338    H6     U  31           H6         U  31   7.529   5.286  -9.134
  339   1H5*    A  32          1H5*        A  32   8.126  10.256 -14.527
  340   2H5*    A  32          2H5*        A  32   9.129  11.692 -14.276
  341    H4*    A  32           H4*        A  32   6.615  11.993 -14.174
  342    H3*    A  32           H3*        A  32   8.321  13.011 -11.888
  343    H2*    A  32           H2*        A  32   6.345  13.740 -10.873
  344   2HO*    A  32          2HO*        A  32   5.671  14.370 -13.367
  345    H1*    A  32           H1*        A  32   4.659  11.709 -12.154
  346    H8     A  32           H8         A  32   7.518  11.309  -9.557
  347   1H6     A  32          1H6         A  32   2.981  10.693  -5.391
  348   2H6     A  32          2H6         A  32   4.709  10.586  -5.652
  349    H2     A  32           H2         A  32   1.109  11.613  -9.343
  350   1H5*    U  33          1H5*        U  33   5.900  16.531 -12.765
  351   2H5*    U  33          2H5*        U  33   6.891  17.885 -12.207
  352    H4*    U  33           H4*        U  33   4.753  17.534 -10.973
  353    H3*    U  33           H3*        U  33   7.322  17.556  -9.378
  354    H2*    U  33           H2*        U  33   5.932  17.402  -7.424
  355   2HO*    U  33          2HO*        U  33   3.587  17.386  -7.702
  356    H1*    U  33           H1*        U  33   4.294  15.382  -8.505
  357    H3     U  33           H3         U  33   6.767  13.204  -5.371
  358    H5     U  33           H5         U  33   9.493  13.949  -8.470
  359    H6     U  33           H6         U  33   7.814  15.296  -9.521
  360   1H5*    C  34          1H5*        C  34   4.616  20.324  -7.689
  361   2H5*    C  34          2H5*        C  34   5.444  21.765  -7.083
  362    H4*    C  34           H4*        C  34   4.091  20.690  -5.372
  363    H3*    C  34           H3*        C  34   7.068  20.647  -4.800
  364    H2*    C  34           H2*        C  34   6.438  19.800  -2.638
  365   2HO*    C  34          2HO*        C  34   4.218  19.634  -2.048
  366    H1*    C  34           H1*        C  34   4.595  17.963  -3.724
  367   1H4     C  34          1H4         C  34  10.517  15.145  -4.506
  368   2H4     C  34          2H4         C  34   9.976  14.657  -2.914
  369    H5     C  34           H5         C  34   9.418  16.904  -5.777
  370    H6     C  34           H6         C  34   7.469  18.341  -5.887
  371   1H5*    A  35          1H5*        A  35   5.404  22.505  -1.491
  372   2H5*    A  35          2H5*        A  35   6.387  23.885  -0.981
  373    H4*    A  35           H4*        A  35   6.104  22.358   0.840
  374    H3*    A  35           H3*        A  35   8.958  22.373  -0.187
  375    H2*    A  35           H2*        A  35   9.436  21.002   1.739
  376   2HO*    A  35          2HO*        A  35   8.148  21.013   3.459
  377    H1*    A  35           H1*        A  35   7.259  19.312   1.272
  378    H8     A  35           H8         A  35   8.777  20.410  -2.013
  379   1H6     A  35          1H6         A  35  12.027  16.822  -2.512
  380   2H6     A  35          2H6         A  35  12.767  15.719  -1.371
  381    H2     A  35           H2         A  35  10.780  16.409   2.582
  382   1H5*    C  36          1H5*        C  36   9.094  23.253   3.904
  383   2H5*    C  36          2H5*        C  36  10.365  24.425   4.273
  384    H4*    C  36           H4*        C  36  10.587  22.381   5.556
  385    H3*    C  36           H3*        C  36  12.887  22.812   3.622
  386    H2*    C  36           H2*        C  36  13.910  20.990   4.867
  387   2HO*    C  36          2HO*        C  36  12.559  21.758   6.886
  388    H1*    C  36           H1*        C  36  11.622  19.420   4.621
  389   1H4     C  36          1H4         C  36  14.309  19.241  -1.398
  390   2H4     C  36          2H4         C  36  15.185  18.036  -0.477
  391    H5     C  36           H5         C  36  12.815  20.843  -0.364
  392    H6     C  36           H6         C  36  11.861  21.586   1.737
  393   1H5*    C  37          1H5*        C  37  14.750  22.274   7.107
  394   2H5*    C  37          2H5*        C  37  15.982  23.514   7.379
  395    H4*    C  37           H4*        C  37  16.903  21.296   7.584
  396    H3*    C  37           H3*        C  37  17.992  22.773   5.162
  397    H2*    C  37           H2*        C  37  19.568  20.942   5.073
  398   2HO*    C  37          2HO*        C  37  19.249  20.798   7.644
  399    H1*    C  37           H1*        C  37  17.533  19.031   5.426
  400   1H4     C  37          1H4         C  37  16.909  20.579  -0.925
  401   2H4     C  37          2H4         C  37  18.082  19.277  -0.865
  402    H5     C  37           H5         C  37  16.194  21.777   1.069
  403    H6     C  37           H6         C  37  16.401  21.900   3.484
  404   1H5*    C  38          1H5*        C  38  21.439  21.860   6.973
  405   2H5*    C  38          2H5*        C  38  22.424  23.318   7.166
  406    H4*    C  38           H4*        C  38  23.747  21.730   6.056
  407    H3*    C  38           H3*        C  38  22.800  23.775   4.029
  408    H2*    C  38           H2*        C  38  24.243  22.682   2.493
  409   2HO*    C  38          2HO*        C  38  25.805  22.291   4.481
  410    H1*    C  38           H1*        C  38  23.583  20.071   3.473
  411   1H4     C  38          1H4         C  38  19.407  21.997  -1.337
  412   2H4     C  38          2H4         C  38  20.516  20.850  -2.060
  413    H5     C  38           H5         C  38  19.615  22.746   0.964
  414    H6     C  38           H6         C  38  20.949  22.588   2.987
  415    H3T    C  38           H3T        C  38  24.020  24.577   5.694
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  23.809  15.012 -11.860
    2   2H5*    G   1          2H5*        G   1  23.257  13.507 -11.120
    3    H4*    G   1           H4*        G   1  25.163  14.295  -9.940
    4    H3*    G   1           H3*        G   1  22.631  14.590  -8.304
    5    H2*    G   1           H2*        G   1  24.070  15.233  -6.493
    6   2HO*    G   1          2HO*        G   1  25.888  13.934  -6.778
    7    H1*    G   1           H1*        G   1  25.512  17.042  -8.066
    8    H8     G   1           H8         G   1  22.182  17.470  -9.481
    9    H1     G   1           H1         G   1  22.620  20.039  -3.618
   10   1H2     G   1          1H2         G   1  25.411  18.024  -3.279
   11   2H2     G   1          2H2         G   1  24.304  19.154  -2.528
   12    H5T    G   1           H5T        G   1  21.620  14.700 -10.072
   13   1H5*    G   2          1H5*        G   2  25.054  12.298  -5.818
   14   2H5*    G   2          2H5*        G   2  24.125  10.943  -5.159
   15    H4*    G   2           H4*        G   2  25.119  12.197  -3.381
   16    H3*    G   2           H3*        G   2  22.105  12.552  -3.451
   17    H2*    G   2           H2*        G   2  22.400  13.682  -1.347
   18   2HO*    G   2          2HO*        G   2  24.381  12.124  -0.939
   19    H1*    G   2           H1*        G   2  24.586  15.189  -2.291
   20    H8     G   2           H8         G   2  22.202  15.055  -5.123
   21    H1     G   2           H1         G   2  20.097  18.830  -0.385
   22   1H2     G   2          1H2         G   2  22.540  17.282   1.514
   23   2H2     G   2          2H2         G   2  21.211  18.420   1.461
   24   1H5*    G   3          1H5*        G   3  23.045  11.360   0.422
   25   2H5*    G   3          2H5*        G   3  21.998  10.009   0.882
   26    H4*    G   3           H4*        G   3  21.966  11.678   2.590
   27    H3*    G   3           H3*        G   3  19.331  11.504   1.100
   28    H2*    G   3           H2*        G   3  18.501  13.028   2.759
   29   2HO*    G   3          2HO*        G   3  20.160  11.908   4.369
   30    H1*    G   3           H1*        G   3  20.778  14.688   2.640
   31    H8     G   3           H8         G   3  20.130  13.761  -0.871
   32    H1     G   3           H1         G   3  15.980  18.132   1.328
   33   1H2     G   3          1H2         G   3  17.058  17.144   4.458
   34   2H2     G   3          2H2         G   3  15.973  18.144   3.516
   35   1H5*    U   4          1H5*        U   4  18.256  11.204   4.961
   36   2H5*    U   4          2H5*        U   4  17.148   9.851   5.223
   37    H4*    U   4           H4*        U   4  16.183  11.872   6.068
   38    H3*    U   4           H3*        U   4  14.756  10.873   3.586
   39    H2*    U   4           H2*        U   4  13.152  12.587   4.039
   40   2HO*    U   4          2HO*        U   4  13.650  12.168   6.520
   41    H1*    U   4           H1*        U   4  15.145  14.510   4.705
   42    H3     U   4           H3         U   4  13.096  16.002   0.898
   43    H5     U   4           H5         U   4  15.855  13.116  -0.394
   44    H6     U   4           H6         U   4  16.171  12.498   1.900
   45   1H5*    G   5          1H5*        G   5  11.772  10.787   6.707
   46   2H5*    G   5          2H5*        G   5  10.841   9.290   6.543
   47    H4*    G   5           H4*        G   5   9.327  11.105   6.584
   48    H3*    G   5           H3*        G   5   9.547   9.974   3.780
   49    H2*    G   5           H2*        G   5   7.729  11.460   3.246
   50   2HO*    G   5          2HO*        G   5   7.663  12.571   5.832
   51    H1*    G   5           H1*        G   5   8.931  13.647   4.512
   52    H8     G   5           H8         G   5  11.552  11.468   2.895
   53    H1     G   5           H1         G   5   8.711  15.566  -1.140
   54   1H2     G   5          1H2         G   5   6.298  15.839   1.317
   55   2H2     G   5          2H2         G   5   6.853  16.330  -0.268
   56   1H5*    A   6          1H5*        A   6   5.582   9.829   5.099
   57   2H5*    A   6          2H5*        A   6   4.626   8.501   4.436
   58    H4*    A   6           H4*        A   6   3.833  10.868   4.080
   59    H3*    A   6           H3*        A   6   3.121   8.757   2.602
   60    H2*    A   6           H2*        A   6   4.994   8.966   1.027
   61   2HO*    A   6          2HO*        A   6   2.576   9.921   0.164
   62    H1*    A   6           H1*        A   6   4.317  11.974   1.044
   63    H8     A   6           H8         A   6   7.704  10.163   1.468
   64   1H6     A   6          1H6         A   6   9.756  11.589  -2.699
   65   2H6     A   6          2H6         A   6   9.145  12.444  -4.101
   66    H2     A   6           H2         A   6   4.945  13.667  -3.153
   67   1H5*    C   7          1H5*        C   7   1.523  11.670  -0.136
   68   2H5*    C   7          2H5*        C   7  -0.237  11.538  -0.255
   69    H4*    C   7           H4*        C   7   1.109  11.503  -2.411
   70    H3*    C   7           H3*        C   7  -0.946   9.341  -1.876
   71    H2*    C   7           H2*        C   7  -0.497   8.636  -4.132
   72   2HO*    C   7          2HO*        C   7   0.195  10.047  -5.577
   73    H1*    C   7           H1*        C   7   2.323   8.875  -3.799
   74   1H4     C   7          1H4         C   7   1.262   3.032  -1.073
   75   2H4     C   7          2H4         C   7   1.148   2.709  -2.789
   76    H5     C   7           H5         C   7   1.377   5.274  -0.163
   77    H6     C   7           H6         C   7   1.420   7.634  -0.704
   78   1H5*    U   8          1H5*        U   8  -2.176  11.457  -5.317
   79   2H5*    U   8          2H5*        U   8  -3.932  11.586  -5.508
   80    H4*    U   8           H4*        U   8  -2.855  10.470  -7.398
   81    H3*    U   8           H3*        U   8  -4.785   8.749  -5.816
   82    H2*    U   8           H2*        U   8  -4.433   7.092  -7.515
   83   2HO*    U   8          2HO*        U   8  -3.420   7.541  -9.433
   84    H1*    U   8           H1*        U   8  -1.639   7.411  -7.500
   85    H3     U   8           H3         U   8  -2.651   3.364  -5.558
   86    H5     U   8           H5         U   8  -2.118   6.166  -2.491
   87    H6     U   8           H6         U   8  -2.477   7.893  -4.106
   88   1H5*    C   9          1H5*        C   9  -6.075   8.115  -9.501
   89   2H5*    C   9          2H5*        C   9  -7.839   8.199  -9.619
   90    H4*    C   9           H4*        C   9  -6.989   6.040 -10.325
   91    H3*    C   9           H3*        C   9  -8.693   5.951  -7.820
   92    H2*    C   9           H2*        C   9  -8.518   3.561  -7.996
   93   2HO*    C   9          2HO*        C   9  -8.504   3.804 -10.489
   94    H1*    C   9           H1*        C   9  -5.766   3.610  -8.553
   95   1H4     C   9          1H4         C   9  -5.154   4.252  -2.174
   96   2H4     C   9          2H4         C   9  -5.276   2.528  -2.454
   97    H5     C   9           H5         C   9  -5.729   5.895  -3.861
   98    H6     C   9           H6         C   9  -6.357   6.215  -6.182
   99   1H5*    C  10          1H5*        C  10 -10.220   3.317 -10.832
  100   2H5*    C  10          2H5*        C  10 -11.976   3.143 -10.714
  101    H4*    C  10           H4*        C  10 -10.807   1.009 -10.589
  102    H3*    C  10           H3*        C  10 -12.318   1.748  -8.065
  103    H2*    C  10           H2*        C  10 -11.831  -0.525  -7.395
  104   2HO*    C  10          2HO*        C  10 -11.296  -2.023  -8.843
  105    H1*    C  10           H1*        C  10  -9.127  -0.256  -8.017
  106   1H4     C  10          1H4         C  10  -9.801   3.345  -2.537
  107   2H4     C  10          2H4         C  10  -9.293   1.756  -2.005
  108    H5     C  10           H5         C  10 -10.467   3.807  -4.819
  109    H6     C  10           H6         C  10 -10.717   2.880  -7.031
  110   1H5*    A  11          1H5*        A  11 -13.430  -1.901  -9.980
  111   2H5*    A  11          2H5*        A  11 -14.996  -2.565  -9.509
  112    H4*    A  11           H4*        A  11 -12.963  -4.010  -9.155
  113    H3*    A  11           H3*        A  11 -14.795  -3.547  -6.782
  114    H2*    A  11           H2*        A  11 -13.489  -5.321  -5.787
  115   2HO*    A  11          2HO*        A  11 -11.636  -6.063  -7.323
  116    H1*    A  11           H1*        A  11 -11.048  -4.195  -6.718
  117    H8     A  11           H8         A  11 -12.653  -1.205  -5.505
  118   1H6     A  11          1H6         A  11 -11.250  -2.965   0.263
  119   2H6     A  11          2H6         A  11 -11.894  -1.662  -0.715
  120    H2     A  11           H2         A  11 -10.520  -6.430  -2.461
  121   1H5*    G  12          1H5*        G  12 -16.692  -7.106  -5.058
  122   2H5*    G  12          2H5*        G  12 -14.978  -6.686  -5.246
  123    H4*    G  12           H4*        G  12 -16.222  -9.318  -5.981
  124    H3*    G  12           H3*        G  12 -15.827  -8.690  -3.387
  125    H2*    G  12           H2*        G  12 -13.403  -8.390  -3.423
  126   2HO*    G  12          2HO*        G  12 -13.903 -10.560  -2.343
  127    H1*    G  12           H1*        G  12 -13.462 -10.712  -5.297
  128    H8     G  12           H8         G  12 -11.803  -7.154  -5.605
  129    H1     G  12           H1         G  12  -8.045 -12.133  -7.024
  130   1H2     G  12          1H2         G  12  -9.203 -13.993  -7.017
  131   2H2     G  12          2H2         G  12 -10.920 -14.024  -6.679
  132   1H5*    A  13          1H5*        A  13 -17.592 -12.423  -1.286
  133   2H5*    A  13          2H5*        A  13 -17.306 -11.062  -0.189
  134    H4*    A  13           H4*        A  13 -15.495 -12.138  -2.324
  135    H3*    A  13           H3*        A  13 -15.237 -13.253   0.026
  136    H2*    A  13           H2*        A  13 -15.560 -11.081   1.148
  137   2HO*    A  13          2HO*        A  13 -12.734 -11.528   1.085
  138    H1*    A  13           H1*        A  13 -13.237  -9.886  -0.496
  139    H8     A  13           H8         A  13 -16.523  -8.809  -1.013
  140   1H6     A  13          1H6         A  13 -15.945  -4.158   0.455
  141   2H6     A  13          2H6         A  13 -14.453  -3.278   0.713
  142    H2     A  13           H2         A  13 -11.148  -6.269   0.582
  143   1H5*    G  14          1H5*        G  14 -12.471 -13.206  -3.344
  144   2H5*    G  14          2H5*        G  14 -10.950 -14.049  -3.645
  145    H4*    G  14           H4*        G  14 -10.770 -11.594  -3.832
  146    H3*    G  14           H3*        G  14  -9.114 -13.022  -1.812
  147    H2*    G  14           H2*        G  14  -8.039 -10.909  -1.276
  148   2HO*    G  14          2HO*        G  14  -8.385 -10.201  -3.662
  149    H1*    G  14           H1*        G  14 -10.516  -9.605  -1.002
  150    H8     G  14           H8         G  14 -11.800 -12.386   0.111
  151    H1     G  14           H1         G  14  -9.951  -8.524   4.360
  152   1H2     G  14          1H2         G  14  -8.180  -6.973   1.837
  153   2H2     G  14          2H2         G  14  -8.589  -6.968   3.538
  154   1H5*    G  15          1H5*        G  15  -5.277 -11.178  -3.230
  155   2H5*    G  15          2H5*        G  15  -4.419 -12.726  -3.315
  156    H4*    G  15           H4*        G  15  -3.366 -11.241  -1.739
  157    H3*    G  15           H3*        G  15  -4.637 -13.673  -0.443
  158    H2*    G  15           H2*        G  15  -3.649 -12.914   1.588
  159   2HO*    G  15          2HO*        G  15  -1.683 -12.140   0.175
  160    H1*    G  15           H1*        G  15  -4.191 -10.156   1.074
  161    H8     G  15           H8         G  15  -7.185 -12.334   0.377
  162    H1     G  15           H1         G  15  -6.398 -11.018   6.602
  163   1H2     G  15          1H2         G  15  -3.381  -9.624   5.618
  164   2H2     G  15          2H2         G  15  -4.472 -10.014   6.932
  165   1H5*    U  16          1H5*        U  16  -0.672 -14.471   1.189
  166   2H5*    U  16          2H5*        U  16  -0.483 -16.173   0.739
  167    H4*    U  16           H4*        U  16  -0.225 -15.991   3.082
  168    H3*    U  16           H3*        U  16  -2.913 -17.249   2.439
  169    H2*    U  16           H2*        U  16  -3.068 -17.643   4.798
  170   2HO*    U  16          2HO*        U  16  -0.600 -18.017   4.853
  171    H1*    U  16           H1*        U  16  -2.105 -15.055   5.452
  172    H3     U  16           H3         U  16  -6.483 -15.310   6.745
  173    H5     U  16           H5         U  16  -6.640 -14.850   2.572
  174    H6     U  16           H6         U  16  -4.257 -15.075   2.532
  175   1H5*    C  17          1H5*        C  17  -1.672 -20.125   5.154
  176   2H5*    C  17          2H5*        C  17  -1.797 -21.648   4.260
  177    H4*    C  17           H4*        C  17  -3.081 -22.072   6.084
  178    H3*    C  17           H3*        C  17  -5.079 -21.038   4.054
  179    H2*    C  17           H2*        C  17  -6.723 -21.635   5.688
  180   2HO*    C  17          2HO*        C  17  -5.905 -23.598   6.469
  181    H1*    C  17           H1*        C  17  -5.198 -20.582   7.842
  182   1H4     C  17          1H4         C  17  -9.691 -17.291   4.282
  183   2H4     C  17          2H4         C  17 -10.365 -17.539   5.880
  184    H5     C  17           H5         C  17  -7.412 -17.898   3.716
  185    H6     C  17           H6         C  17  -5.353 -18.880   4.557
  186   1H5*    G  18          1H5*        G  18  -4.797 -25.825   3.880
  187   2H5*    G  18          2H5*        G  18  -6.030 -26.572   2.858
  188    H4*    G  18           H4*        G  18  -5.941 -27.105   5.358
  189    H3*    G  18           H3*        G  18  -8.025 -27.508   3.729
  190    H2*    G  18           H2*        G  18  -9.071 -25.381   4.005
  191   2HO*    G  18          2HO*        G  18 -10.744 -25.605   5.653
  192    H1*    G  18           H1*        G  18  -8.417 -25.404   6.998
  193    H8     G  18           H8         G  18  -8.063 -23.087   3.863
  194    H1     G  18           H1         G  18 -11.933 -21.397   8.635
  195   1H2     G  18          1H2         G  18 -12.177 -23.184   9.894
  196   2H2     G  18          2H2         G  18 -10.891 -24.376   9.963
  197   1H5*    A  19          1H5*        A  19 -10.805 -31.278   5.679
  198   2H5*    A  19          2H5*        A  19 -12.062 -30.193   5.073
  199    H4*    A  19           H4*        A  19 -12.542 -31.289   7.261
  200    H3*    A  19           H3*        A  19 -12.652 -28.273   7.085
  201    H2*    A  19           H2*        A  19 -13.376 -28.302   9.384
  202   2HO*    A  19          2HO*        A  19 -14.508 -30.511   8.863
  203    H1*    A  19           H1*        A  19 -11.433 -30.140  10.208
  204    H8     A  19           H8         A  19  -9.244 -28.330   8.045
  205   1H6     A  19          1H6         A  19  -8.162 -24.557  10.915
  206   2H6     A  19          2H6         A  19  -8.881 -23.925  12.381
  207    H2     A  19           H2         A  19 -12.502 -26.403  13.238
  208   1H5*    G  20          1H5*        G  20 -16.123 -28.441   8.990
  209   2H5*    G  20          2H5*        G  20 -17.264 -27.353   8.185
  210    H4*    G  20           H4*        G  20 -16.528 -26.778  10.551
  211    H3*    G  20           H3*        G  20 -16.583 -24.758   8.331
  212    H2*    G  20           H2*        G  20 -15.682 -23.118   9.901
  213   2HO*    G  20          2HO*        G  20 -16.124 -23.586  11.965
  214    H1*    G  20           H1*        G  20 -13.485 -24.601  10.421
  215    H8     G  20           H8         G  20 -12.689 -26.312   8.040
  216    H1     G  20           H1         G  20 -14.350 -20.951   4.951
  217   1H2     G  20          1H2         G  20 -16.149 -20.239   7.816
  218   2H2     G  20          2H2         G  20 -15.633 -19.713   6.230
  219   1H5*    A  21          1H5*        A  21 -19.010 -22.880  12.283
  220   2H5*    A  21          2H5*        A  21 -19.410 -21.294  11.610
  221    H4*    A  21           H4*        A  21 -18.049 -21.295  13.689
  222    H3*    A  21           H3*        A  21 -17.103 -19.648  11.333
  223    H2*    A  21           H2*        A  21 -15.037 -19.372  12.422
  224   2HO*    A  21          2HO*        A  21 -16.620 -19.115  14.540
  225    H1*    A  21           H1*        A  21 -14.782 -21.473  13.915
  226    H8     A  21           H8         A  21 -15.069 -21.146  10.000
  227   1H6     A  21          1H6         A  21  -9.991 -21.747   9.400
  228   2H6     A  21          2H6         A  21  -8.848 -21.274  10.611
  229    H2     A  21           H2         A  21 -10.700 -22.125  14.491
  230   1H5*    G  22          1H5*        G  22 -17.202 -16.177  14.646
  231   2H5*    G  22          2H5*        G  22 -16.325 -14.936  13.739
  232    H4*    G  22           H4*        G  22 -15.248 -17.077  15.282
  233    H3*    G  22           H3*        G  22 -13.803 -15.082  13.487
  234    H2*    G  22           H2*        G  22 -11.952 -16.656  13.578
  235   2HO*    G  22          2HO*        G  22 -12.689 -16.955  16.097
  236    H1*    G  22           H1*        G  22 -13.285 -18.939  13.485
  237    H8     G  22           H8         G  22 -14.864 -16.680  11.213
  238    H1     G  22           H1         G  22  -9.207 -18.381   8.788
  239   1H2     G  22          1H2         G  22  -8.340 -19.018  12.056
  240   2H2     G  22          2H2         G  22  -7.856 -18.942  10.371
  241   1H5*    A  23          1H5*        A  23 -10.870 -15.591  16.276
  242   2H5*    A  23          2H5*        A  23 -10.615 -14.007  17.027
  243    H4*    A  23           H4*        A  23  -8.500 -14.646  16.408
  244    H3*    A  23           H3*        A  23  -9.513 -12.867  14.164
  245    H2*    A  23           H2*        A  23  -7.260 -13.043  13.308
  246   2HO*    A  23          2HO*        A  23  -5.650 -13.433  14.657
  247    H1*    A  23           H1*        A  23  -7.177 -15.817  13.667
  248    H8     A  23           H8         A  23 -10.622 -14.633  12.598
  249   1H6     A  23          1H6         A  23 -10.077 -15.246   7.792
  250   2H6     A  23          2H6         A  23  -8.675 -15.477   6.773
  251    H2     A  23           H2         A  23  -5.140 -15.852   9.482
  252   1H5*    C  24          1H5*        C  24  -6.074 -10.492  15.344
  253   2H5*    C  24          2H5*        C  24  -6.607  -8.813  15.165
  254    H4*    C  24           H4*        C  24  -4.679  -9.429  13.759
  255    H3*    C  24           H3*        C  24  -7.139  -8.525  12.223
  256    H2*    C  24           H2*        C  24  -5.609  -8.487  10.328
  257   2HO*    C  24          2HO*        C  24  -3.424  -8.824  10.584
  258    H1*    C  24           H1*        C  24  -4.714 -11.080  10.925
  259   1H4     C  24          1H4         C  24 -10.490 -12.683   8.426
  260   2H4     C  24          2H4         C  24  -9.475 -12.375   7.032
  261    H5     C  24           H5         C  24  -9.850 -12.052  10.675
  262    H6     C  24           H6         C  24  -8.116 -11.078  12.039
  263   1H5*    C  25          1H5*        C  25  -4.211  -5.920  11.040
  264   2H5*    C  25          2H5*        C  25  -4.817  -4.300  10.684
  265    H4*    C  25           H4*        C  25  -3.739  -5.869   8.866
  266    H3*    C  25           H3*        C  25  -4.813  -3.485   8.469
  267    H2*    C  25           H2*        C  25  -7.122  -4.410   8.680
  268   2HO*    C  25          2HO*        C  25  -6.249  -3.744   6.101
  269    H1*    C  25           H1*        C  25  -6.022  -6.409   6.610
  270   1H4     C  25          1H4         C  25 -11.321  -9.856   8.172
  271   2H4     C  25          2H4         C  25 -11.209  -9.793   6.426
  272    H5     C  25           H5         C  25  -9.778  -8.659   9.621
  273    H6     C  25           H6         C  25  -7.908  -7.120   9.682
  274   1H5*    G  26          1H5*        G  26  -4.980  -6.001   4.850
  275   2H5*    G  26          2H5*        G  26  -3.815  -5.408   3.667
  276    H4*    G  26           H4*        G  26  -6.151  -6.572   3.040
  277    H3*    G  26           H3*        G  26  -4.548  -4.583   1.446
  278    H2*    G  26           H2*        G  26  -6.214  -4.602  -0.186
  279   2HO*    G  26          2HO*        G  26  -6.789  -6.665  -0.543
  280    H1*    G  26           H1*        G  26  -8.447  -4.868   1.744
  281    H8     G  26           H8         G  26  -7.248  -2.158   3.338
  282    H1     G  26           H1         G  26  -9.226  -0.336  -2.489
  283   1H2     G  26          1H2         G  26  -8.613  -3.573  -3.427
  284   2H2     G  26          2H2         G  26  -9.066  -1.956  -3.910
  285   1H5*    G  27          1H5*        G  27  -5.159  -8.125  -0.818
  286   2H5*    G  27          2H5*        G  27  -3.920  -8.531  -2.015
  287    H4*    G  27           H4*        G  27  -6.117  -8.140  -3.023
  288    H3*    G  27           H3*        G  27  -3.941  -6.183  -3.818
  289    H2*    G  27           H2*        G  27  -5.559  -5.308  -5.395
  290   2HO*    G  27          2HO*        G  27  -7.632  -6.951  -4.455
  291    H1*    G  27           H1*        G  27  -7.535  -5.071  -3.416
  292    H8     G  27           H8         G  27  -4.538  -4.410  -1.420
  293    H1     G  27           H1         G  27  -6.173   0.605  -5.016
  294   1H2     G  27          1H2         G  27  -6.955  -1.783  -7.400
  295   2H2     G  27          2H2         G  27  -6.705  -0.089  -7.026
  296   1H5*    A  28          1H5*        A  28  -5.070  -6.760  -7.474
  297   2H5*    A  28          2H5*        A  28  -3.678  -7.284  -8.435
  298    H4*    A  28           H4*        A  28  -4.546  -5.304  -9.399
  299    H3*    A  28           H3*        A  28  -1.947  -4.709  -7.951
  300    H2*    A  28           H2*        A  28  -2.116  -2.534  -8.964
  301   2HO*    A  28          2HO*        A  28  -3.157  -2.349 -10.825
  302    H1*    A  28           H1*        A  28  -4.811  -2.256  -8.261
  303    H8     A  28           H8         A  28  -2.847  -4.046  -5.550
  304   1H6     A  28          1H6         A  28  -2.133  -0.134  -2.741
  305   2H6     A  28          2H6         A  28  -2.183   1.587  -3.056
  306    H2     A  28           H2         A  28  -3.344   2.091  -7.350
  307   1H5*    G  29          1H5*        G  29  -1.357  -3.192 -11.658
  308   2H5*    G  29          2H5*        G  29   0.270  -3.545 -12.254
  309    H4*    G  29           H4*        G  29  -0.192  -1.171 -12.246
  310    H3*    G  29           H3*        G  29   1.982  -1.967 -10.288
  311    H2*    G  29           H2*        G  29   2.316   0.399 -10.038
  312   2HO*    G  29          2HO*        G  29   1.990   1.561 -11.808
  313    H1*    G  29           H1*        G  29  -0.459   0.957  -9.951
  314    H8     G  29           H8         G  29   0.681  -2.097  -7.978
  315    H1     G  29           H1         G  29   0.989   3.431  -4.736
  316   1H2     G  29          1H2         G  29   0.654   4.923  -7.831
  317   2H2     G  29          2H2         G  29   0.863   5.137  -6.105
  318   1H5*    A  30          1H5*        A  30   3.611   0.460 -13.672
  319   2H5*    A  30          2H5*        A  30   5.373   0.599 -13.651
  320    H4*    A  30           H4*        A  30   3.890   2.682 -13.221
  321    H3*    A  30           H3*        A  30   6.348   2.077 -11.558
  322    H2*    A  30           H2*        A  30   5.886   4.120 -10.404
  323   2HO*    A  30          2HO*        A  30   3.941   5.364 -11.209
  324    H1*    A  30           H1*        A  30   3.093   3.698 -10.267
  325    H8     A  30           H8         A  30   5.010   0.543  -9.503
  326   1H6     A  30          1H6         A  30   5.009   2.438  -3.599
  327   2H6     A  30          2H6         A  30   5.342   1.092  -4.669
  328    H2     A  30           H2         A  30   3.679   5.855  -6.155
  329   1H5*    U  31          1H5*        U  31   9.567   5.421 -13.227
  330   2H5*    U  31          2H5*        U  31   9.741   5.508 -11.472
  331    H4*    U  31           H4*        U  31   7.357   6.301 -13.128
  332    H3*    U  31           H3*        U  31   9.117   7.826 -11.175
  333    H2*    U  31           H2*        U  31   7.276   9.232 -10.798
  334   2HO*    U  31          2HO*        U  31   6.731   8.851 -13.291
  335    H1*    U  31           H1*        U  31   5.345   6.999 -11.025
  336    H3     U  31           H3         U  31   4.658   8.848  -6.890
  337    H5     U  31           H5         U  31   7.704   6.001  -6.445
  338    H6     U  31           H6         U  31   7.787   5.823  -8.831
  339   1H5*    A  32          1H5*        A  32   7.360  10.735 -14.253
  340   2H5*    A  32          2H5*        A  32   8.274  12.242 -14.109
  341    H4*    A  32           H4*        A  32   5.763  12.309 -13.678
  342    H3*    A  32           H3*        A  32   7.668  13.544 -11.673
  343    H2*    A  32           H2*        A  32   5.785  14.129 -10.411
  344   2HO*    A  32          2HO*        A  32   4.729  14.619 -12.787
  345    H1*    A  32           H1*        A  32   4.151  11.896 -11.380
  346    H8     A  32           H8         A  32   7.399  11.792  -9.259
  347   1H6     A  32          1H6         A  32   3.633  11.240  -4.384
  348   2H6     A  32          2H6         A  32   5.303  11.320  -4.906
  349    H2     A  32           H2         A  32   1.096  11.567  -8.050
  350   1H5*    U  33          1H5*        U  33   4.834  16.786 -12.242
  351   2H5*    U  33          2H5*        U  33   5.764  18.243 -11.875
  352    H4*    U  33           H4*        U  33   3.879  17.780 -10.327
  353    H3*    U  33           H3*        U  33   6.645  18.025  -9.129
  354    H2*    U  33           H2*        U  33   5.581  17.832  -6.992
  355   2HO*    U  33          2HO*        U  33   3.647  18.761  -6.892
  356    H1*    U  33           H1*        U  33   3.895  15.707  -7.791
  357    H3     U  33           H3         U  33   6.820  13.705  -4.959
  358    H5     U  33           H5         U  33   9.151  14.592  -8.331
  359    H6     U  33           H6         U  33   7.274  15.788  -9.220
  360   1H5*    C  34          1H5*        C  34   3.990  20.767  -7.197
  361   2H5*    C  34          2H5*        C  34   4.826  22.263  -6.761
  362    H4*    C  34           H4*        C  34   3.738  21.232  -4.851
  363    H3*    C  34           H3*        C  34   6.763  21.299  -4.645
  364    H2*    C  34           H2*        C  34   6.421  20.532  -2.389
  365   2HO*    C  34          2HO*        C  34   4.201  21.848  -2.478
  366    H1*    C  34           H1*        C  34   4.503  18.611  -3.162
  367   1H4     C  34          1H4         C  34  10.334  15.831  -4.516
  368   2H4     C  34          2H4         C  34   9.969  15.367  -2.869
  369    H5     C  34           H5         C  34   9.118  17.585  -5.680
  370    H6     C  34           H6         C  34   7.148  18.999  -5.620
  371   1H5*    A  35          1H5*        A  35   5.459  23.303  -1.196
  372   2H5*    A  35          2H5*        A  35   6.497  24.706  -0.900
  373    H4*    A  35           H4*        A  35   6.464  23.268   1.019
  374    H3*    A  35           H3*        A  35   9.161  23.255  -0.369
  375    H2*    A  35           H2*        A  35   9.901  21.974   1.536
  376   2HO*    A  35          2HO*        A  35   8.142  23.267   2.889
  377    H1*    A  35           H1*        A  35   7.685  20.265   1.457
  378    H8     A  35           H8         A  35   8.803  21.192  -2.041
  379   1H6     A  35          1H6         A  35  11.894  17.505  -2.759
  380   2H6     A  35          2H6         A  35  12.786  16.469  -1.665
  381    H2     A  35           H2         A  35  11.337  17.405   2.468
  382   1H5*    C  36          1H5*        C  36   9.876  24.417   3.636
  383   2H5*    C  36          2H5*        C  36  11.202  25.583   3.718
  384    H4*    C  36           H4*        C  36  11.593  23.610   5.082
  385    H3*    C  36           H3*        C  36  13.583  23.900   2.807
  386    H2*    C  36           H2*        C  36  14.766  22.129   3.985
  387   2HO*    C  36          2HO*        C  36  13.704  23.035   6.133
  388    H1*    C  36           H1*        C  36  12.457  20.586   4.173
  389   1H4     C  36          1H4         C  36  14.278  20.096  -2.158
  390   2H4     C  36          2H4         C  36  15.262  18.921  -1.309
  391    H5     C  36           H5         C  36  12.926  21.740  -1.004
  392    H6     C  36           H6         C  36  12.288  22.598   1.171
  393   1H5*    C  37          1H5*        C  37  15.966  23.534   5.987
  394   2H5*    C  37          2H5*        C  37  17.219  24.783   5.996
  395    H4*    C  37           H4*        C  37  18.183  22.587   6.177
  396    H3*    C  37           H3*        C  37  18.846  23.898   3.518
  397    H2*    C  37           H2*        C  37  20.404  22.063   3.293
  398   2HO*    C  37          2HO*        C  37  20.504  22.088   5.887
  399    H1*    C  37           H1*        C  37  18.466  20.184   4.086
  400   1H4     C  37          1H4         C  37  16.857  21.413  -2.169
  401   2H4     C  37          2H4         C  37  18.029  20.110  -2.226
  402    H5     C  37           H5         C  37  16.436  22.695  -0.147
  403    H6     C  37           H6         C  37  17.020  22.943   2.196
  404   1H5*    C  38          1H5*        C  38  22.556  23.068   4.805
  405   2H5*    C  38          2H5*        C  38  23.555  24.526   4.718
  406    H4*    C  38           H4*        C  38  24.674  22.831   3.537
  407    H3*    C  38           H3*        C  38  23.435  24.751   1.545
  408    H2*    C  38           H2*        C  38  24.615  23.528  -0.115
  409   2HO*    C  38          2HO*        C  38  26.469  23.247   1.611
  410    H1*    C  38           H1*        C  38  24.083  21.004   1.127
  411   1H4     C  38          1H4         C  38  19.268  22.795  -3.111
  412   2H4     C  38          2H4         C  38  20.232  21.579  -3.924
  413    H5     C  38           H5         C  38  19.833  23.656  -0.912
  414    H6     C  38           H6         C  38  21.438  23.549   0.907
  415    H3T    C  38           H3T        C  38  24.912  25.640   2.941
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  22.229  15.311 -13.554
    2   2H5*    G   1          2H5*        G   1  21.945  13.692 -12.911
    3    H4*    G   1           H4*        G   1  23.823  14.626 -11.806
    4    H3*    G   1           H3*        G   1  21.418  14.489  -9.968
    5    H2*    G   1           H2*        G   1  22.920  15.179  -8.226
    6   2HO*    G   1          2HO*        G   1  24.763  13.933  -9.318
    7    H1*    G   1           H1*        G   1  24.026  17.241  -9.765
    8    H8     G   1           H8         G   1  20.522  17.329 -10.823
    9    H1     G   1           H1         G   1  21.328  19.725  -4.927
   10   1H2     G   1          1H2         G   1  24.344  18.032  -4.983
   11   2H2     G   1          2H2         G   1  23.214  19.009  -4.069
   12    H5T    G   1           H5T        G   1  20.258  14.549 -11.653
   13   1H5*    G   2          1H5*        G   2  24.325  12.347  -7.875
   14   2H5*    G   2          2H5*        G   2  23.622  10.845  -7.256
   15    H4*    G   2           H4*        G   2  24.610  12.050  -5.456
   16    H3*    G   2           H3*        G   2  21.582  12.145  -5.281
   17    H2*    G   2           H2*        G   2  21.952  13.130  -3.118
   18   2HO*    G   2          2HO*        G   2  23.771  11.945  -2.409
   19    H1*    G   2           H1*        G   2  23.932  14.883  -4.097
   20    H8     G   2           H8         G   2  21.284  14.710  -6.704
   21    H1     G   2           H1         G   2  19.412  18.048  -1.560
   22   1H2     G   2          1H2         G   2  22.198  16.674  -0.036
   23   2H2     G   2          2H2         G   2  20.778  17.687   0.118
   24   1H5*    G   3          1H5*        G   3  22.939  10.665  -1.638
   25   2H5*    G   3          2H5*        G   3  21.998   9.241  -1.173
   26    H4*    G   3           H4*        G   3  22.081  10.828   0.628
   27    H3*    G   3           H3*        G   3  19.309  10.540  -0.566
   28    H2*    G   3           H2*        G   3  18.581  11.915   1.261
   29   2HO*    G   3          2HO*        G   3  20.477  10.827   2.610
   30    H1*    G   3           H1*        G   3  20.734  13.726   0.990
   31    H8     G   3           H8         G   3  19.783  13.064  -2.483
   32    H1     G   3           H1         G   3  15.489  16.772   0.511
   33   1H2     G   3          1H2         G   3  16.943  15.596   3.417
   34   2H2     G   3          2H2         G   3  15.684  16.565   2.681
   35   1H5*    U   4          1H5*        U   4  18.737   9.777   3.443
   36   2H5*    U   4          2H5*        U   4  17.700   8.358   3.656
   37    H4*    U   4           H4*        U   4  16.800  10.263   4.824
   38    H3*    U   4           H3*        U   4  15.099   9.403   2.467
   39    H2*    U   4           H2*        U   4  13.514  11.013   3.252
   40   2HO*    U   4          2HO*        U   4  14.071  10.461   5.579
   41    H1*    U   4           H1*        U   4  15.487  12.972   3.794
   42    H3     U   4           H3         U   4  12.915  14.545   0.355
   43    H5     U   4           H5         U   4  15.689  11.959  -1.433
   44    H6     U   4           H6         U   4  16.249  11.170   0.763
   45   1H5*    G   5          1H5*        G   5  12.586   8.891   6.141
   46   2H5*    G   5          2H5*        G   5  11.404   7.625   5.780
   47    H4*    G   5           H4*        G   5  10.383   9.743   6.459
   48    H3*    G   5           H3*        G   5   9.693   8.844   3.645
   49    H2*    G   5           H2*        G   5   8.133  10.687   3.664
   50   2HO*    G   5          2HO*        G   5   7.888  10.305   6.163
   51    H1*    G   5           H1*        G   5  10.014  12.484   4.702
   52    H8     G   5           H8         G   5  11.785  10.166   2.345
   53    H1     G   5           H1         G   5   8.077  14.354  -0.746
   54   1H2     G   5          1H2         G   5   6.678  14.954   2.359
   55   2H2     G   5          2H2         G   5   6.646  15.271   0.637
   56   1H5*    A   6          1H5*        A   6   6.106   9.611   5.593
   57   2H5*    A   6          2H5*        A   6   4.871   8.425   5.163
   58    H4*    A   6           H4*        A   6   4.356  10.860   4.787
   59    H3*    A   6           H3*        A   6   3.146   8.849   3.544
   60    H2*    A   6           H2*        A   6   4.943   8.668   1.830
   61   2HO*    A   6          2HO*        A   6   2.608  10.004   1.022
   62    H1*    A   6           H1*        A   6   4.524  11.719   1.649
   63    H8     A   6           H8         A   6   7.779   9.626   1.705
   64   1H6     A   6          1H6         A   6   9.193  10.486  -2.885
   65   2H6     A   6          2H6         A   6   8.454  11.348  -4.220
   66    H2     A   6           H2         A   6   4.587  13.018  -2.713
   67   1H5*    C   7          1H5*        C   7   1.649  12.216   0.950
   68   2H5*    C   7          2H5*        C   7  -0.121  12.228   0.904
   69    H4*    C   7           H4*        C   7   0.944  12.280  -1.320
   70    H3*    C   7           H3*        C   7  -0.835   9.890  -0.776
   71    H2*    C   7           H2*        C   7  -0.483   9.352  -3.106
   72   2HO*    C   7          2HO*        C   7   0.186  10.830  -4.523
   73    H1*    C   7           H1*        C   7   2.297   9.685  -2.904
   74   1H4     C   7          1H4         C   7   1.317   3.917   0.115
   75   2H4     C   7          2H4         C   7   1.438   3.514  -1.583
   76    H5     C   7           H5         C   7   1.155   6.191   0.917
   77    H6     C   7           H6         C   7   1.102   8.519   0.268
   78   1H5*    U   8          1H5*        U   8  -2.042  12.051  -4.110
   79   2H5*    U   8          2H5*        U   8  -3.772  12.088  -4.482
   80    H4*    U   8           H4*        U   8  -2.400  11.234  -6.327
   81    H3*    U   8           H3*        U   8  -4.452   9.331  -5.174
   82    H2*    U   8           H2*        U   8  -3.816   7.810  -6.919
   83   2HO*    U   8          2HO*        U   8  -3.138  10.023  -8.217
   84    H1*    U   8           H1*        U   8  -1.074   8.157  -6.516
   85    H3     U   8           H3         U   8  -2.041   4.011  -4.898
   86    H5     U   8           H5         U   8  -1.925   6.678  -1.675
   87    H6     U   8           H6         U   8  -2.358   8.444  -3.221
   88   1H5*    C   9          1H5*        C   9  -5.237   8.821  -8.890
   89   2H5*    C   9          2H5*        C   9  -6.966   8.907  -9.258
   90    H4*    C   9           H4*        C   9  -6.106   6.753  -9.860
   91    H3*    C   9           H3*        C   9  -7.961   6.634  -7.465
   92    H2*    C   9           H2*        C   9  -7.768   4.247  -7.657
   93   2HO*    C   9          2HO*        C   9  -7.560   4.556 -10.156
   94    H1*    C   9           H1*        C   9  -4.980   4.321  -8.042
   95   1H4     C   9          1H4         C   9  -4.662   4.898  -1.662
   96   2H4     C   9          2H4         C   9  -4.718   3.176  -1.973
   97    H5     C   9           H5         C   9  -5.271   6.548  -3.331
   98    H6     C   9           H6         C   9  -5.783   6.887  -5.680
   99   1H5*    C  10          1H5*        C  10  -9.193   4.047 -10.599
  100   2H5*    C  10          2H5*        C  10 -10.946   3.822 -10.650
  101    H4*    C  10           H4*        C  10  -9.751   1.715 -10.456
  102    H3*    C  10           H3*        C  10 -11.466   2.388  -8.049
  103    H2*    C  10           H2*        C  10 -10.991   0.112  -7.373
  104   2HO*    C  10          2HO*        C  10 -10.306  -1.351  -8.794
  105    H1*    C  10           H1*        C  10  -8.253   0.444  -7.770
  106   1H4     C  10          1H4         C  10  -9.065   4.075  -2.394
  107   2H4     C  10          2H4         C  10  -8.557   2.496  -1.836
  108    H5     C  10           H5         C  10  -9.929   4.442  -4.644
  109    H6     C  10           H6         C  10 -10.028   3.522  -6.874
  110   1H5*    A  11          1H5*        A  11 -12.320  -1.197 -10.113
  111   2H5*    A  11          2H5*        A  11 -13.908  -1.918  -9.843
  112    H4*    A  11           H4*        A  11 -11.921  -3.345  -9.313
  113    H3*    A  11           H3*        A  11 -13.954  -2.924  -7.100
  114    H2*    A  11           H2*        A  11 -12.711  -4.685  -5.999
  115   2HO*    A  11          2HO*        A  11 -12.357  -5.779  -8.185
  116    H1*    A  11           H1*        A  11 -10.207  -3.569  -6.766
  117    H8     A  11           H8         A  11 -11.941  -0.603  -5.588
  118   1H6     A  11          1H6         A  11 -10.855  -2.465   0.218
  119   2H6     A  11          2H6         A  11 -11.466  -1.154  -0.771
  120    H2     A  11           H2         A  11  -9.842  -5.837  -2.533
  121   1H5*    G  12          1H5*        G  12 -15.835  -6.621  -5.595
  122   2H5*    G  12          2H5*        G  12 -14.136  -6.114  -5.640
  123    H4*    G  12           H4*        G  12 -15.193  -8.775  -6.538
  124    H3*    G  12           H3*        G  12 -15.016  -8.190  -3.908
  125    H2*    G  12           H2*        G  12 -12.604  -7.824  -3.756
  126   2HO*    G  12          2HO*        G  12 -11.755  -9.610  -2.896
  127    H1*    G  12           H1*        G  12 -12.472 -10.102  -5.677
  128    H8     G  12           H8         G  12 -10.862  -6.510  -5.778
  129    H1     G  12           H1         G  12  -6.897 -11.397  -6.936
  130   1H2     G  12          1H2         G  12  -8.005 -13.287  -6.981
  131   2H2     G  12          2H2         G  12  -9.745 -13.354  -6.808
  132   1H5*    A  13          1H5*        A  13 -16.826 -12.037  -2.063
  133   2H5*    A  13          2H5*        A  13 -16.681 -10.708  -0.900
  134    H4*    A  13           H4*        A  13 -14.668 -11.643  -2.916
  135    H3*    A  13           H3*        A  13 -14.540 -12.807  -0.576
  136    H2*    A  13           H2*        A  13 -15.030 -10.666   0.555
  137   2HO*    A  13          2HO*        A  13 -12.552 -11.771   0.911
  138    H1*    A  13           H1*        A  13 -12.632  -9.385  -0.910
  139    H8     A  13           H8         A  13 -15.885  -8.350  -1.595
  140   1H6     A  13          1H6         A  13 -15.440  -3.708  -0.046
  141   2H6     A  13          2H6         A  13 -13.994  -2.833   0.413
  142    H2     A  13           H2         A  13 -10.668  -5.799   0.491
  143   1H5*    G  14          1H5*        G  14 -11.530 -12.533  -3.720
  144   2H5*    G  14          2H5*        G  14  -9.966 -13.322  -3.936
  145    H4*    G  14           H4*        G  14  -9.817 -10.865  -3.999
  146    H3*    G  14           H3*        G  14  -8.363 -12.331  -1.856
  147    H2*    G  14           H2*        G  14  -7.359 -10.197  -1.200
  148   2HO*    G  14          2HO*        G  14  -7.468  -9.443  -3.565
  149    H1*    G  14           H1*        G  14  -9.888  -8.971  -1.111
  150    H8     G  14           H8         G  14 -11.170 -11.836  -0.175
  151    H1     G  14           H1         G  14  -9.918  -7.987   4.276
  152   1H2     G  14          1H2         G  14  -7.929  -6.339   1.984
  153   2H2     G  14          2H2         G  14  -8.528  -6.369   3.628
  154   1H5*    G  15          1H5*        G  15  -4.497 -10.391  -2.770
  155   2H5*    G  15          2H5*        G  15  -3.549 -11.886  -2.824
  156    H4*    G  15           H4*        G  15  -2.747 -10.418  -1.095
  157    H3*    G  15           H3*        G  15  -4.018 -12.939   0.019
  158    H2*    G  15           H2*        G  15  -3.218 -12.183   2.140
  159   2HO*    G  15          2HO*        G  15  -1.934 -10.109   2.112
  160    H1*    G  15           H1*        G  15  -3.919  -9.464   1.642
  161    H8     G  15           H8         G  15  -6.701 -11.734   0.567
  162    H1     G  15           H1         G  15  -6.657 -10.580   6.871
  163   1H2     G  15          1H2         G  15  -3.566  -9.129   6.282
  164   2H2     G  15          2H2         G  15  -4.810  -9.540   7.445
  165   1H5*    U  16          1H5*        U  16  -0.240 -13.539   1.974
  166   2H5*    U  16          2H5*        U  16   0.099 -15.237   1.606
  167    H4*    U  16           H4*        U  16   0.104 -14.961   3.954
  168    H3*    U  16           H3*        U  16  -2.409 -16.436   3.104
  169    H2*    U  16           H2*        U  16  -2.744 -16.777   5.461
  170   2HO*    U  16          2HO*        U  16  -0.277 -16.928   5.767
  171    H1*    U  16           H1*        U  16  -2.110 -14.097   6.088
  172    H3     U  16           H3         U  16  -6.575 -14.728   6.853
  173    H5     U  16           H5         U  16  -6.252 -14.340   2.682
  174    H6     U  16           H6         U  16  -3.872 -14.337   2.941
  175   1H5*    C  17          1H5*        C  17  -1.300 -18.901   6.086
  176   2H5*    C  17          2H5*        C  17  -1.055 -20.493   5.358
  177    H4*    C  17           H4*        C  17  -2.453 -20.894   7.126
  178    H3*    C  17           H3*        C  17  -4.251 -20.741   4.695
  179    H2*    C  17           H2*        C  17  -5.994 -21.421   6.165
  180   2HO*    C  17          2HO*        C  17  -5.180 -22.968   7.485
  181    H1*    C  17           H1*        C  17  -5.074 -19.770   8.316
  182   1H4     C  17          1H4         C  17  -9.362 -16.961   4.048
  183   2H4     C  17          2H4         C  17 -10.209 -17.141   5.569
  184    H5     C  17           H5         C  17  -7.045 -17.602   3.755
  185    H6     C  17           H6         C  17  -5.093 -18.551   4.848
  186   1H5*    G  18          1H5*        G  18  -4.542 -24.873   6.057
  187   2H5*    G  18          2H5*        G  18  -5.107 -25.924   4.753
  188    H4*    G  18           H4*        G  18  -6.578 -25.538   6.850
  189    H3*    G  18           H3*        G  18  -7.755 -25.444   4.060
  190    H2*    G  18           H2*        G  18  -9.843 -25.141   5.109
  191   2HO*    G  18          2HO*        G  18 -10.043 -25.498   7.443
  192    H1*    G  18           H1*        G  18  -8.687 -23.685   7.360
  193    H8     G  18           H8         G  18  -7.927 -21.890   4.198
  194    H1     G  18           H1         G  18 -12.898 -20.418   7.550
  195   1H2     G  18          1H2         G  18 -14.259 -22.237   8.024
  196   2H2     G  18          2H2         G  18 -13.585 -23.837   7.786
  197   1H5*    A  19          1H5*        A  19 -10.206 -30.351   4.574
  198   2H5*    A  19          2H5*        A  19 -11.282 -29.140   3.859
  199    H4*    A  19           H4*        A  19 -12.429 -30.411   5.558
  200    H3*    A  19           H3*        A  19 -12.004 -27.502   6.269
  201    H2*    A  19           H2*        A  19 -13.238 -27.920   8.268
  202   2HO*    A  19          2HO*        A  19 -14.739 -29.443   8.339
  203    H1*    A  19           H1*        A  19 -12.062 -30.431   8.777
  204    H8     A  19           H8         A  19  -9.165 -28.363   7.876
  205   1H6     A  19          1H6         A  19  -7.902 -27.420  12.495
  206   2H6     A  19          2H6         A  19  -8.809 -27.395  13.992
  207    H2     A  19           H2         A  19 -13.032 -28.462  13.000
  208   1H5*    G  20          1H5*        G  20 -15.880 -27.899   7.173
  209   2H5*    G  20          2H5*        G  20 -16.833 -26.601   6.434
  210    H4*    G  20           H4*        G  20 -17.137 -26.598   8.819
  211    H3*    G  20           H3*        G  20 -15.749 -24.212   7.640
  212    H2*    G  20           H2*        G  20 -15.396 -23.304   9.808
  213   2HO*    G  20          2HO*        G  20 -17.133 -23.520  11.042
  214    H1*    G  20           H1*        G  20 -14.950 -25.726  11.146
  215    H8     G  20           H8         G  20 -12.953 -25.462   7.930
  216    H1     G  20           H1         G  20  -9.830 -24.473  13.436
  217   1H2     G  20          1H2         G  20 -11.248 -24.464  15.111
  218   2H2     G  20          2H2         G  20 -12.979 -24.520  14.863
  219   1H5*    A  21          1H5*        A  21 -19.477 -22.419  10.120
  220   2H5*    A  21          2H5*        A  21 -19.356 -20.722   9.636
  221    H4*    A  21           H4*        A  21 -18.900 -21.555  12.090
  222    H3*    A  21           H3*        A  21 -17.388 -19.265  10.812
  223    H2*    A  21           H2*        A  21 -16.256 -19.166  13.102
  224   2HO*    A  21          2HO*        A  21 -18.290 -20.108  14.124
  225    H1*    A  21           H1*        A  21 -15.424 -21.499  12.902
  226    H8     A  21           H8         A  21 -16.072 -20.654   9.252
  227   1H6     A  21          1H6         A  21 -11.296 -21.265   8.082
  228   2H6     A  21          2H6         A  21  -9.931 -21.354   9.150
  229    H2     A  21           H2         A  21 -11.482 -21.965  13.207
  230   1H5*    G  22          1H5*        G  22 -17.593 -14.994  13.624
  231   2H5*    G  22          2H5*        G  22 -17.371 -15.357  11.907
  232    H4*    G  22           H4*        G  22 -16.321 -17.048  14.177
  233    H3*    G  22           H3*        G  22 -14.796 -14.950  12.615
  234    H2*    G  22           H2*        G  22 -12.973 -16.496  12.678
  235   2HO*    G  22          2HO*        G  22 -12.582 -17.686  14.412
  236    H1*    G  22           H1*        G  22 -14.359 -18.790  12.518
  237    H8     G  22           H8         G  22 -15.638 -16.759  10.042
  238    H1     G  22           H1         G  22  -9.566 -17.984   8.484
  239   1H2     G  22          1H2         G  22  -9.290 -19.089  11.734
  240   2H2     G  22          2H2         G  22  -8.546 -18.898  10.159
  241   1H5*    A  23          1H5*        A  23 -12.029 -15.498  15.778
  242   2H5*    A  23          2H5*        A  23 -11.999 -13.915  16.573
  243    H4*    A  23           H4*        A  23  -9.778 -14.403  16.241
  244    H3*    A  23           H3*        A  23 -10.596 -12.610  13.927
  245    H2*    A  23           H2*        A  23  -8.240 -12.619  13.380
  246   2HO*    A  23          2HO*        A  23  -6.716 -13.308  14.788
  247    H1*    A  23           H1*        A  23  -8.033 -15.391  13.649
  248    H8     A  23           H8         A  23 -11.407 -14.475  12.202
  249   1H6     A  23          1H6         A  23 -10.225 -14.843   7.487
  250   2H6     A  23          2H6         A  23  -8.693 -14.885   6.643
  251    H2     A  23           H2         A  23  -5.490 -15.000   9.763
  252   1H5*    C  24          1H5*        C  24  -7.486  -9.999  15.606
  253   2H5*    C  24          2H5*        C  24  -8.136  -8.371  15.355
  254    H4*    C  24           H4*        C  24  -5.983  -8.838  14.215
  255    H3*    C  24           H3*        C  24  -8.284  -8.026  12.411
  256    H2*    C  24           H2*        C  24  -6.564  -7.882  10.698
  257   2HO*    C  24          2HO*        C  24  -4.381  -8.241  11.213
  258    H1*    C  24           H1*        C  24  -5.561 -10.415  11.377
  259   1H4     C  24          1H4         C  24 -10.918 -12.258   8.149
  260   2H4     C  24          2H4         C  24  -9.746 -11.893   6.899
  261    H5     C  24           H5         C  24 -10.573 -11.684  10.475
  262    H6     C  24           H6         C  24  -9.065 -10.673  12.060
  263   1H5*    C  25          1H5*        C  25  -5.288  -5.298  11.654
  264   2H5*    C  25          2H5*        C  25  -5.891  -3.709  11.175
  265    H4*    C  25           H4*        C  25  -4.512  -5.309   9.574
  266    H3*    C  25           H3*        C  25  -5.484  -2.933   8.973
  267    H2*    C  25           H2*        C  25  -7.821  -3.838   8.905
  268   2HO*    C  25          2HO*        C  25  -6.616  -3.141   6.491
  269    H1*    C  25           H1*        C  25  -6.486  -5.860   7.004
  270   1H4     C  25          1H4         C  25 -11.793  -9.455   7.924
  271   2H4     C  25          2H4         C  25 -11.446  -9.407   6.209
  272    H5     C  25           H5         C  25 -10.533  -8.150   9.543
  273    H6     C  25           H6         C  25  -8.752  -6.531   9.826
  274   1H5*    G  26          1H5*        G  26  -5.186  -5.490   5.352
  275   2H5*    G  26          2H5*        G  26  -3.841  -4.920   4.362
  276    H4*    G  26           H4*        G  26  -6.063  -6.031   3.372
  277    H3*    G  26           H3*        G  26  -4.268  -4.003   2.047
  278    H2*    G  26           H2*        G  26  -5.707  -4.007   0.209
  279   2HO*    G  26          2HO*        G  26  -6.274  -6.030  -0.279
  280    H1*    G  26           H1*        G  26  -8.170  -4.303   1.832
  281    H8     G  26           H8         G  26  -7.103  -1.591   3.584
  282    H1     G  26           H1         G  26  -8.631   0.218  -2.379
  283   1H2     G  26          1H2         G  26  -7.918  -3.021  -3.261
  284   2H2     G  26          2H2         G  26  -8.379  -1.414  -3.775
  285   1H5*    G  27          1H5*        G  27  -4.619  -7.508  -0.365
  286   2H5*    G  27          2H5*        G  27  -3.248  -7.868  -1.428
  287    H4*    G  27           H4*        G  27  -5.346  -7.497  -2.649
  288    H3*    G  27           H3*        G  27  -3.129  -5.507  -3.219
  289    H2*    G  27           H2*        G  27  -4.605  -4.671  -4.956
  290   2HO*    G  27          2HO*        G  27  -6.638  -5.680  -5.324
  291    H1*    G  27           H1*        G  27  -6.762  -4.465  -3.174
  292    H8     G  27           H8         G  27  -3.936  -3.762  -0.931
  293    H1     G  27           H1         G  27  -5.515   1.263  -4.552
  294   1H2     G  27          1H2         G  27  -6.047  -1.106  -7.023
  295   2H2     G  27          2H2         G  27  -5.896   0.587  -6.600
  296   1H5*    A  28          1H5*        A  28  -3.811  -6.171  -7.103
  297   2H5*    A  28          2H5*        A  28  -2.265  -6.679  -7.805
  298    H4*    A  28           H4*        A  28  -2.999  -4.763  -8.974
  299    H3*    A  28           H3*        A  28  -0.707  -4.049  -7.120
  300    H2*    A  28           H2*        A  28  -0.762  -1.892  -8.170
  301   2HO*    A  28          2HO*        A  28  -1.580  -3.112 -10.279
  302    H1*    A  28           H1*        A  28  -3.555  -1.683  -7.979
  303    H8     A  28           H8         A  28  -1.895  -3.390  -4.995
  304   1H6     A  28          1H6         A  28  -1.499   0.535  -2.160
  305   2H6     A  28          2H6         A  28  -1.679   2.251  -2.456
  306    H2     A  28           H2         A  28  -2.684   2.718  -6.796
  307   1H5*    G  29          1H5*        G  29   0.669  -2.651 -10.637
  308   2H5*    G  29          2H5*        G  29   2.368  -3.073 -10.896
  309    H4*    G  29           H4*        G  29   2.071  -0.692 -10.986
  310    H3*    G  29           H3*        G  29   3.642  -1.581  -8.550
  311    H2*    G  29           H2*        G  29   3.928   0.723  -8.084
  312   2HO*    G  29          2HO*        G  29   3.482   2.340  -9.622
  313    H1*    G  29           H1*        G  29   1.312   1.480  -8.885
  314    H8     G  29           H8         G  29   1.756  -1.537  -6.580
  315    H1     G  29           H1         G  29   1.465   4.113  -3.547
  316   1H2     G  29          1H2         G  29   1.684   5.482  -6.709
  317   2H2     G  29          2H2         G  29   1.537   5.767  -4.989
  318   1H5*    A  30          1H5*        A  30   7.761   0.271 -10.484
  319   2H5*    A  30          2H5*        A  30   8.272   0.618  -8.828
  320    H4*    A  30           H4*        A  30   6.069   1.844 -10.421
  321    H3*    A  30           H3*        A  30   8.236   3.035  -8.659
  322    H2*    A  30           H2*        A  30   6.779   4.881  -8.349
  323   2HO*    A  30          2HO*        A  30   6.066   5.200 -10.480
  324    H1*    A  30           H1*        A  30   4.400   3.310  -8.263
  325    H8     A  30           H8         A  30   5.911   1.412  -5.855
  326   1H6     A  30          1H6         A  30   5.103   5.957  -1.725
  327   2H6     A  30          2H6         A  30   5.494   4.262  -1.929
  328    H2     A  30           H2         A  30   4.595   7.685  -5.819
  329   1H5*    U  31          1H5*        U  31  10.236   6.469 -11.586
  330   2H5*    U  31          2H5*        U  31  10.020   7.243 -10.010
  331    H4*    U  31           H4*        U  31   7.914   6.013 -11.756
  332    H3*    U  31           H3*        U  31   8.590   8.544 -12.112
  333    H2*    U  31           H2*        U  31   8.458   9.344  -9.854
  334   2HO*    U  31          2HO*        U  31   6.817  10.524 -10.880
  335    H1*    U  31           H1*        U  31   5.981   7.745  -9.137
  336    H3     U  31           H3         U  31   6.986   9.504  -5.089
  337    H5     U  31           H5         U  31   9.546   6.234  -5.667
  338    H6     U  31           H6         U  31   8.865   6.197  -7.956
  339   1H5*    A  32          1H5*        A  32   3.479   9.909 -14.898
  340   2H5*    A  32          2H5*        A  32   5.075  10.547 -15.292
  341    H4*    A  32           H4*        A  32   3.542  12.278 -14.616
  342    H3*    A  32           H3*        A  32   6.044  12.519 -13.948
  343    H2*    A  32           H2*        A  32   5.813  10.909 -12.118
  344   2HO*    A  32          2HO*        A  32   6.593  13.314 -11.569
  345    H1*    A  32           H1*        A  32   3.596  12.709 -11.086
  346    H8     A  32           H8         A  32   4.450   8.957 -11.392
  347   1H6     A  32          1H6         A  32   1.472   8.307  -6.013
  348   2H6     A  32          2H6         A  32   2.435   7.490  -7.225
  349    H2     A  32           H2         A  32   0.907  12.508  -7.420
  350   1H5*    U  33          1H5*        U  33   3.401  15.775 -11.891
  351   2H5*    U  33          2H5*        U  33   4.199  17.203 -11.228
  352    H4*    U  33           H4*        U  33   2.547  15.859  -9.782
  353    H3*    U  33           H3*        U  33   5.213  16.749  -8.642
  354    H2*    U  33           H2*        U  33   4.306  15.969  -6.552
  355   2HO*    U  33          2HO*        U  33   2.033  16.698  -7.363
  356    H1*    U  33           H1*        U  33   3.286  13.595  -7.745
  357    H3     U  33           H3         U  33   6.589  12.313  -4.896
  358    H5     U  33           H5         U  33   8.004  12.327  -8.847
  359    H6     U  33           H6         U  33   6.414  14.090  -9.285
  360   1H5*    C  34          1H5*        C  34   2.241  18.343  -6.084
  361   2H5*    C  34          2H5*        C  34   2.688  19.998  -5.642
  362    H4*    C  34           H4*        C  34   2.273  18.747  -3.664
  363    H3*    C  34           H3*        C  34   5.239  19.296  -3.989
  364    H2*    C  34           H2*        C  34   5.432  18.412  -1.759
  365   2HO*    C  34          2HO*        C  34   2.567  18.253  -1.779
  366    H1*    C  34           H1*        C  34   3.795  16.204  -2.344
  367   1H4     C  34          1H4         C  34   9.409  14.270  -5.061
  368   2H4     C  34          2H4         C  34   9.523  13.810  -3.373
  369    H5     C  34           H5         C  34   7.711  15.814  -5.877
  370    H6     C  34           H6         C  34   5.711  17.054  -5.279
  371   1H5*    A  35          1H5*        A  35   4.225  20.874  -0.244
  372   2H5*    A  35          2H5*        A  35   5.114  22.377   0.042
  373    H4*    A  35           H4*        A  35   5.539  20.808   1.802
  374    H3*    A  35           H3*        A  35   7.994  21.217   0.065
  375    H2*    A  35           H2*        A  35   9.128  19.954   1.785
  376   2HO*    A  35          2HO*        A  35   8.321  20.163   3.767
  377    H1*    A  35           H1*        A  35   7.158  17.970   1.802
  378    H8     A  35           H8         A  35   7.737  19.366  -1.685
  379   1H6     A  35          1H6         A  35  11.157  16.182  -3.093
  380   2H6     A  35          2H6         A  35  12.276  15.174  -2.199
  381    H2     A  35           H2         A  35  11.226  15.584   2.131
  382   1H5*    C  36          1H5*        C  36   9.104  22.154   3.989
  383   2H5*    C  36          2H5*        C  36  10.275  23.477   4.023
  384    H4*    C  36           H4*        C  36  11.095  21.505   5.156
  385    H3*    C  36           H3*        C  36  12.691  22.160   2.658
  386    H2*    C  36           H2*        C  36  14.231  20.492   3.538
  387   2HO*    C  36          2HO*        C  36  13.389  21.140   5.868
  388    H1*    C  36           H1*        C  36  12.170  18.663   3.924
  389   1H4     C  36          1H4         C  36  13.241  18.900  -2.613
  390   2H4     C  36          2H4         C  36  14.396  17.737  -1.993
  391    H5     C  36           H5         C  36  11.879  20.287  -1.164
  392    H6     C  36           H6         C  36  11.370  20.837   1.138
  393   1H5*    C  37          1H5*        C  37  15.506  21.914   5.460
  394   2H5*    C  37          2H5*        C  37  16.578  23.321   5.425
  395    H4*    C  37           H4*        C  37  17.844  21.290   5.335
  396    H3*    C  37           H3*        C  37  17.977  22.785   2.693
  397    H2*    C  37           H2*        C  37  19.744  21.204   2.197
  398   2HO*    C  37          2HO*        C  37  20.165  21.146   4.748
  399    H1*    C  37           H1*        C  37  18.188  19.046   3.087
  400   1H4     C  37          1H4         C  37  15.659  20.272  -2.852
  401   2H4     C  37          2H4         C  37  16.982  19.153  -3.117
  402    H5     C  37           H5         C  37  15.331  21.417  -0.729
  403    H6     C  37           H6         C  37  16.145  21.637   1.547
  404   1H5*    C  38          1H5*        C  38  21.887  22.522   3.579
  405   2H5*    C  38          2H5*        C  38  22.671  24.100   3.409
  406    H4*    C  38           H4*        C  38  23.848  22.536   2.083
  407    H3*    C  38           H3*        C  38  22.214  24.347   0.281
  408    H2*    C  38           H2*        C  38  23.382  23.302  -1.514
  409   2HO*    C  38          2HO*        C  38  25.354  22.515  -1.226
  410    H1*    C  38           H1*        C  38  23.194  20.711  -0.322
  411   1H4     C  38          1H4         C  38  17.745  22.001  -3.906
  412   2H4     C  38          2H4         C  38  18.749  20.945  -4.879
  413    H5     C  38           H5         C  38  18.476  22.898  -1.770
  414    H6     C  38           H6         C  38  20.293  22.959  -0.162
  415    H3T    C  38           H3T        C  38  23.735  25.334   1.610
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  26.305  12.542  -6.841
    2   2H5*    G   1          2H5*        G   1  25.658  11.158  -5.957
    3    H4*    G   1           H4*        G   1  26.862  12.531  -4.443
    4    H3*    G   1           H3*        G   1  23.875  12.726  -3.963
    5    H2*    G   1           H2*        G   1  24.444  14.005  -2.017
    6   2HO*    G   1          2HO*        G   1  26.468  12.635  -1.683
    7    H1*    G   1           H1*        G   1  26.323  15.583  -3.393
    8    H8     G   1           H8         G   1  23.514  15.035  -5.760
    9    H1     G   1           H1         G   1  22.386  19.651  -1.450
   10   1H2     G   1          1H2         G   1  24.984  18.213   0.320
   11   2H2     G   1          2H2         G   1  23.750  19.454   0.251
   12    H5T    G   1           H5T        G   1  23.633  12.164  -5.950
   13   1H5*    G   2          1H5*        G   2  25.254  11.663  -0.273
   14   2H5*    G   2          2H5*        G   2  24.259  10.367   0.409
   15    H4*    G   2           H4*        G   2  24.286  12.196   1.927
   16    H3*    G   2           H3*        G   2  21.590  11.983   0.553
   17    H2*    G   2           H2*        G   2  20.884  13.669   2.104
   18   2HO*    G   2          2HO*        G   2  21.843  13.198   4.036
   19    H1*    G   2           H1*        G   2  23.263  15.183   1.786
   20    H8     G   2           H8         G   2  22.100  13.941  -1.553
   21    H1     G   2           H1         G   2  18.831  19.041   0.562
   22   1H2     G   2          1H2         G   2  20.194  18.252   3.634
   23   2H2     G   2          2H2         G   2  19.147  19.306   2.709
   24   1H5*    G   3          1H5*        G   3  21.174  11.704   4.788
   25   2H5*    G   3          2H5*        G   3  19.973  10.482   5.233
   26    H4*    G   3           H4*        G   3  19.565  12.591   6.356
   27    H3*    G   3           H3*        G   3  17.413  11.788   4.382
   28    H2*    G   3           H2*        G   3  16.181  13.668   5.207
   29   2HO*    G   3          2HO*        G   3  16.874  14.845   7.025
   30    H1*    G   3           H1*        G   3  18.423  15.386   5.205
   31    H8     G   3           H8         G   3  18.588  13.335   2.097
   32    H1     G   3           H1         G   3  14.686  18.411   1.680
   33   1H2     G   3          1H2         G   3  14.759  18.381   5.133
   34   2H2     G   3          2H2         G   3  14.130  19.114   3.674
   35   1H5*    U   4          1H5*        U   4  15.352  12.463   7.757
   36   2H5*    U   4          2H5*        U   4  14.216  11.154   8.116
   37    H4*    U   4           H4*        U   4  13.019  13.206   8.043
   38    H3*    U   4           H3*        U   4  12.423  11.522   5.592
   39    H2*    U   4           H2*        U   4  10.754  13.160   5.100
   40   2HO*    U   4          2HO*        U   4   9.830  13.686   7.040
   41    H1*    U   4           H1*        U   4  12.451  15.335   5.801
   42    H3     U   4           H3         U   4  11.780  15.808   1.338
   43    H5     U   4           H5         U   4  14.686  12.803   1.679
   44    H6     U   4           H6         U   4  14.201  12.704   4.026
   45   1H5*    G   5          1H5*        G   5   8.702  12.096   7.763
   46   2H5*    G   5          2H5*        G   5   7.723  10.626   7.635
   47    H4*    G   5           H4*        G   5   6.433  12.500   6.924
   48    H3*    G   5           H3*        G   5   7.192  10.720   4.589
   49    H2*    G   5           H2*        G   5   5.725  12.123   3.294
   50   2HO*    G   5          2HO*        G   5   4.313  12.438   5.356
   51    H1*    G   5           H1*        G   5   6.815  14.487   4.310
   52    H8     G   5           H8         G   5   9.469  11.817   3.924
   53    H1     G   5           H1         G   5   8.111  14.907  -1.523
   54   1H2     G   5          1H2         G   5   5.223  15.877   0.109
   55   2H2     G   5          2H2         G   5   6.145  15.862  -1.378
   56   1H5*    A   6          1H5*        A   6   2.978  11.072   4.910
   57   2H5*    A   6          2H5*        A   6   2.082   9.719   4.216
   58    H4*    A   6           H4*        A   6   1.744  12.091   3.319
   59    H3*    A   6           H3*        A   6   0.995   9.837   2.118
   60    H2*    A   6           H2*        A   6   3.198   9.442   1.067
   61   2HO*    A   6          2HO*        A   6   1.263  10.594  -0.569
   62    H1*    A   6           H1*        A   6   3.048  12.428   0.312
   63    H8     A   6           H8         A   6   5.900  10.406   1.936
   64   1H6     A   6          1H6         A   6   9.022  10.494  -1.776
   65   2H6     A   6          2H6         A   6   8.888  11.016  -3.443
   66    H2     A   6           H2         A   6   4.808  12.799  -3.921
   67   1H5*    C   7          1H5*        C   7   0.654  12.491  -1.261
   68   2H5*    C   7          2H5*        C   7  -1.003  12.685  -1.855
   69    H4*    C   7           H4*        C   7   0.713  12.161  -3.598
   70    H3*    C   7           H3*        C   7  -1.652  10.278  -3.326
   71    H2*    C   7           H2*        C   7  -0.770   9.216  -5.310
   72   2HO*    C   7          2HO*        C   7   0.211  10.548  -6.677
   73    H1*    C   7           H1*        C   7   1.889   9.228  -4.293
   74   1H4     C   7          1H4         C   7  -0.219   4.015  -1.069
   75   2H4     C   7          2H4         C   7   0.026   3.417  -2.696
   76    H5     C   7           H5         C   7  -0.248   6.379  -0.530
   77    H6     C   7           H6         C   7   0.038   8.616  -1.407
   78   1H5*    U   8          1H5*        U   8  -2.139  11.528  -7.435
   79   2H5*    U   8          2H5*        U   8  -3.865  11.887  -7.614
   80    H4*    U   8           H4*        U   8  -3.181  10.245  -9.226
   81    H3*    U   8           H3*        U   8  -5.006   9.070  -7.101
   82    H2*    U   8           H2*        U   8  -5.002   7.101  -8.467
   83   2HO*    U   8          2HO*        U   8  -3.837   7.133 -10.510
   84    H1*    U   8           H1*        U   8  -2.209   7.202  -8.891
   85    H3     U   8           H3         U   8  -3.118   3.562  -6.266
   86    H5     U   8           H5         U   8  -2.418   6.773  -3.660
   87    H6     U   8           H6         U   8  -2.597   8.244  -5.532
   88   1H5*    C   9          1H5*        C   9  -7.009   8.038 -10.450
   89   2H5*    C   9          2H5*        C   9  -8.757   8.200 -10.222
   90    H4*    C   9           H4*        C   9  -8.055   5.918 -10.766
   91    H3*    C   9           H3*        C   9  -9.348   6.217  -8.037
   92    H2*    C   9           H2*        C   9  -9.285   3.818  -7.979
   93   2HO*    C   9          2HO*        C   9  -9.769   3.706 -10.376
   94    H1*    C   9           H1*        C   9  -6.669   3.693  -9.059
   95   1H4     C   9          1H4         C   9  -5.285   4.481  -2.747
   96   2H4     C   9          2H4         C   9  -5.573   2.766  -2.952
   97    H5     C   9           H5         C   9  -5.831   6.109  -4.479
   98    H6     C   9           H6         C   9  -6.663   6.391  -6.742
   99   1H5*    C  10          1H5*        C  10 -11.382   3.202 -10.261
  100   2H5*    C  10          2H5*        C  10 -13.107   3.245  -9.882
  101    H4*    C  10           H4*        C  10 -12.153   1.047  -9.527
  102    H3*    C  10           H3*        C  10 -13.111   2.370  -6.970
  103    H2*    C  10           H2*        C  10 -12.726   0.202  -5.989
  104   2HO*    C  10          2HO*        C  10 -13.335  -1.229  -7.613
  105    H1*    C  10           H1*        C  10 -10.206  -0.055  -7.187
  106   1H4     C  10          1H4         C  10  -9.229   4.104  -2.164
  107   2H4     C  10          2H4         C  10  -8.904   2.508  -1.521
  108    H5     C  10           H5         C  10 -10.283   4.455  -4.324
  109    H6     C  10           H6         C  10 -11.097   3.369  -6.324
  110   1H5*    A  11          1H5*        A  11 -16.709  -0.693  -7.865
  111   2H5*    A  11          2H5*        A  11 -17.540  -0.784  -6.311
  112    H4*    A  11           H4*        A  11 -15.702  -2.563  -7.253
  113    H3*    A  11           H3*        A  11 -16.471  -2.093  -4.349
  114    H2*    A  11           H2*        A  11 -14.890  -3.878  -3.925
  115   2HO*    A  11          2HO*        A  11 -15.442  -5.111  -5.865
  116    H1*    A  11           H1*        A  11 -12.920  -2.786  -5.591
  117    H8     A  11           H8         A  11 -13.919   0.322  -4.199
  118   1H6     A  11          1H6         A  11 -11.477  -1.276   1.270
  119   2H6     A  11          2H6         A  11 -12.048   0.063   0.297
  120    H2     A  11           H2         A  11 -11.801  -4.960  -1.226
  121   1H5*    G  12          1H5*        G  12 -17.173  -4.103  -1.161
  122   2H5*    G  12          2H5*        G  12 -15.930  -3.967  -2.359
  123    H4*    G  12           H4*        G  12 -18.030  -6.104  -2.482
  124    H3*    G  12           H3*        G  12 -16.359  -6.046  -0.347
  125    H2*    G  12           H2*        G  12 -14.273  -6.388  -1.519
  126   2HO*    G  12          2HO*        G  12 -14.849  -8.472  -0.358
  127    H1*    G  12           H1*        G  12 -15.988  -8.215  -3.146
  128    H8     G  12           H8         G  12 -13.153  -5.637  -4.168
  129    H1     G  12           H1         G  12 -12.886 -11.432  -6.867
  130   1H2     G  12          1H2         G  12 -14.587 -12.654  -6.233
  131   2H2     G  12          2H2         G  12 -15.867 -12.021  -5.222
  132   1H5*    A  13          1H5*        A  13 -18.033  -9.355   2.317
  133   2H5*    A  13          2H5*        A  13 -16.893  -8.270   3.130
  134    H4*    A  13           H4*        A  13 -16.650  -9.487   0.399
  135    H3*    A  13           H3*        A  13 -15.755 -10.992   2.330
  136    H2*    A  13           H2*        A  13 -14.849  -9.028   3.524
  137   2HO*    A  13          2HO*        A  13 -13.158 -10.907   2.670
  138    H1*    A  13           H1*        A  13 -13.235  -8.228   1.018
  139    H8     A  13           H8         A  13 -15.940  -6.266   2.088
  140   1H6     A  13          1H6         A  13 -13.441  -2.293   3.548
  141   2H6     A  13          2H6         A  13 -11.756  -1.880   3.310
  142    H2     A  13           H2         A  13  -9.836  -5.438   1.394
  143   1H5*    G  14          1H5*        G  14 -14.917 -11.031  -1.897
  144   2H5*    G  14          2H5*        G  14 -14.054 -12.147  -2.957
  145    H4*    G  14           H4*        G  14 -13.177  -9.848  -3.064
  146    H3*    G  14           H3*        G  14 -11.417 -12.040  -2.136
  147    H2*    G  14           H2*        G  14  -9.554 -10.458  -2.097
  148   2HO*    G  14          2HO*        G  14 -10.822  -9.219  -3.978
  149    H1*    G  14           H1*        G  14 -11.085  -8.574  -0.661
  150    H8     G  14           H8         G  14 -12.524 -11.091   0.880
  151    H1     G  14           H1         G  14  -7.966  -8.578   3.893
  152   1H2     G  14          1H2         G  14  -7.232  -6.972   0.938
  153   2H2     G  14          2H2         G  14  -6.801  -7.194   2.619
  154   1H5*    G  15          1H5*        G  15  -8.364 -10.901  -5.066
  155   2H5*    G  15          2H5*        G  15  -8.043 -12.500  -5.755
  156    H4*    G  15           H4*        G  15  -6.037 -11.611  -4.804
  157    H3*    G  15           H3*        G  15  -7.114 -13.943  -3.192
  158    H2*    G  15           H2*        G  15  -5.124 -13.770  -1.896
  159   2HO*    G  15          2HO*        G  15  -3.327 -12.706  -2.591
  160    H1*    G  15           H1*        G  15  -5.151 -10.925  -1.859
  161    H8     G  15           H8         G  15  -8.588 -12.296  -1.176
  162    H1     G  15           H1         G  15  -4.808 -12.076   3.992
  163   1H2     G  15          1H2         G  15  -2.317 -11.185   1.760
  164   2H2     G  15          2H2         G  15  -2.771 -11.494   3.422
  165   1H5*    U  16          1H5*        U  16  -3.268 -15.448  -3.836
  166   2H5*    U  16          2H5*        U  16  -3.485 -17.135  -4.325
  167    H4*    U  16           H4*        U  16  -2.109 -17.120  -2.416
  168    H3*    U  16           H3*        U  16  -4.894 -18.025  -1.613
  169    H2*    U  16           H2*        U  16  -3.890 -18.535   0.505
  170   2HO*    U  16          2HO*        U  16  -1.832 -19.279  -0.497
  171    H1*    U  16           H1*        U  16  -2.453 -16.096   0.574
  172    H3     U  16           H3         U  16  -5.658 -16.012   3.843
  173    H5     U  16           H5         U  16  -7.757 -15.273   0.283
  174    H6     U  16           H6         U  16  -5.736 -15.733  -0.917
  175   1H5*    C  17          1H5*        C  17  -2.844 -21.062   0.099
  176   2H5*    C  17          2H5*        C  17  -3.449 -22.551  -0.640
  177    H4*    C  17           H4*        C  17  -3.643 -22.963   1.595
  178    H3*    C  17           H3*        C  17  -6.395 -21.981   0.778
  179    H2*    C  17           H2*        C  17  -7.039 -22.587   3.000
  180   2HO*    C  17          2HO*        C  17  -5.567 -24.543   2.934
  181    H1*    C  17           H1*        C  17  -4.666 -21.503   4.151
  182   1H4     C  17          1H4         C  17  -9.893 -17.483   3.208
  183   2H4     C  17          2H4         C  17  -9.763 -17.747   4.934
  184    H5     C  17           H5         C  17  -8.278 -18.352   1.625
  185    H6     C  17           H6         C  17  -6.323 -19.770   1.365
  186   1H5*    G  18          1H5*        G  18  -7.110 -25.945   2.128
  187   2H5*    G  18          2H5*        G  18  -8.487 -26.663   1.286
  188    H4*    G  18           H4*        G  18  -8.609 -26.340   3.820
  189    H3*    G  18           H3*        G  18 -10.919 -25.383   2.102
  190    H2*    G  18           H2*        G  18 -12.005 -24.940   4.157
  191   2HO*    G  18          2HO*        G  18 -10.956 -25.752   6.175
  192    H1*    G  18           H1*        G  18  -9.482 -24.293   5.491
  193    H8     G  18           H8         G  18  -9.948 -21.947   2.676
  194    H1     G  18           H1         G  18 -11.900 -20.444   8.272
  195   1H2     G  18          1H2         G  18 -13.071 -22.078   9.381
  196   2H2     G  18          2H2         G  18 -13.093 -23.685   8.686
  197   1H5*    A  19          1H5*        A  19 -14.343 -29.365   3.550
  198   2H5*    A  19          2H5*        A  19 -14.995 -27.739   3.810
  199    H4*    A  19           H4*        A  19 -15.452 -29.230   5.682
  200    H3*    A  19           H3*        A  19 -13.667 -26.874   6.334
  201    H2*    A  19           H2*        A  19 -13.716 -27.632   8.602
  202   2HO*    A  19          2HO*        A  19 -16.113 -28.465   8.028
  203    H1*    A  19           H1*        A  19 -13.445 -30.365   7.958
  204    H8     A  19           H8         A  19 -10.976 -28.815   5.743
  205   1H6     A  19          1H6         A  19  -7.065 -29.280  10.534
  206   2H6     A  19          2H6         A  19  -7.185 -29.131   8.793
  207    H2     A  19           H2         A  19 -11.238 -29.434  12.129
  208   1H5*    G  20          1H5*        G  20 -16.249 -26.679   9.332
  209   2H5*    G  20          2H5*        G  20 -16.906 -25.049   9.551
  210    H4*    G  20           H4*        G  20 -15.794 -25.873  11.555
  211    H3*    G  20           H3*        G  20 -14.773 -23.384  10.248
  212    H2*    G  20           H2*        G  20 -12.899 -23.291  11.688
  213   2HO*    G  20          2HO*        G  20 -14.567 -24.048  13.477
  214    H1*    G  20           H1*        G  20 -12.507 -26.052  12.029
  215    H8     G  20           H8         G  20 -12.786 -25.325   8.365
  216    H1     G  20           H1         G  20  -6.941 -26.195  10.810
  217   1H2     G  20          1H2         G  20  -7.037 -26.205  13.005
  218   2H2     G  20          2H2         G  20  -8.510 -25.827  13.871
  219   1H5*    A  21          1H5*        A  21 -15.517 -21.996  14.599
  220   2H5*    A  21          2H5*        A  21 -15.365 -20.238  14.501
  221    H4*    A  21           H4*        A  21 -13.588 -21.722  15.688
  222    H3*    A  21           H3*        A  21 -12.859 -19.252  14.110
  223    H2*    A  21           H2*        A  21 -10.470 -19.884  14.724
  224   2HO*    A  21          2HO*        A  21 -11.238 -20.793  16.837
  225    H1*    A  21           H1*        A  21 -10.629 -22.226  13.877
  226    H8     A  21           H8         A  21 -13.208 -20.582  11.672
  227   1H6     A  21          1H6         A  21 -10.527 -21.539   7.549
  228   2H6     A  21          2H6         A  21  -8.844 -21.944   7.477
  229    H2     A  21           H2         A  21  -7.705 -23.393  11.447
  230   1H5*    G  22          1H5*        G  22 -10.681 -15.878  15.949
  231   2H5*    G  22          2H5*        G  22 -11.117 -15.688  14.243
  232    H4*    G  22           H4*        G  22  -9.596 -17.959  15.514
  233    H3*    G  22           H3*        G  22  -8.808 -15.977  13.359
  234    H2*    G  22           H2*        G  22  -7.554 -17.804  12.426
  235   2HO*    G  22          2HO*        G  22  -6.910 -18.365  14.863
  236    H1*    G  22           H1*        G  22  -9.248 -19.792  12.966
  237    H8     G  22           H8         G  22 -11.188 -17.133  11.781
  238    H1     G  22           H1         G  22  -7.552 -19.155   6.932
  239   1H2     G  22          1H2         G  22  -5.646 -20.633   9.398
  240   2H2     G  22          2H2         G  22  -5.917 -20.360   7.686
  241   1H5*    A  23          1H5*        A  23  -4.949 -17.276  14.255
  242   2H5*    A  23          2H5*        A  23  -4.164 -15.832  14.915
  243    H4*    A  23           H4*        A  23  -2.709 -16.587  13.289
  244    H3*    A  23           H3*        A  23  -4.341 -14.354  12.028
  245    H2*    A  23           H2*        A  23  -2.812 -14.596  10.167
  246   2HO*    A  23          2HO*        A  23  -1.075 -16.123  10.307
  247    H1*    A  23           H1*        A  23  -3.069 -17.375  10.129
  248    H8     A  23           H8         A  23  -6.365 -15.750  11.061
  249   1H6     A  23          1H6         A  23  -8.288 -15.581   6.585
  250   2H6     A  23          2H6         A  23  -7.606 -15.773   4.985
  251    H2     A  23           H2         A  23  -3.307 -16.889   5.530
  252   1H5*    C  24          1H5*        C  24  -0.416 -12.613  11.555
  253   2H5*    C  24          2H5*        C  24  -0.636 -10.882  11.852
  254    H4*    C  24           H4*        C  24   0.232 -11.424   9.615
  255    H3*    C  24           H3*        C  24  -2.447  -9.991   9.619
  256    H2*    C  24           H2*        C  24  -2.047  -9.781   7.225
  257   2HO*    C  24          2HO*        C  24   0.387  -9.674   7.647
  258    H1*    C  24           H1*        C  24  -1.391 -12.518   7.028
  259   1H4     C  24          1H4         C  24  -7.861 -13.112   7.461
  260   2H4     C  24          2H4         C  24  -7.548 -12.750   5.774
  261    H5     C  24           H5         C  24  -6.161 -12.924   9.176
  262    H6     C  24           H6         C  24  -3.855 -12.399   9.626
  263   1H5*    C  25          1H5*        C  25  -0.056  -7.453   7.419
  264   2H5*    C  25          2H5*        C  25  -0.221  -5.775   7.949
  265    H4*    C  25           H4*        C  25  -0.570  -6.276   5.512
  266    H3*    C  25           H3*        C  25  -1.563  -4.149   6.748
  267    H2*    C  25           H2*        C  25  -3.542  -5.335   7.580
  268   2HO*    C  25          2HO*        C  25  -3.967  -3.768   5.290
  269    H1*    C  25           H1*        C  25  -3.721  -6.320   4.659
  270   1H4     C  25          1H4         C  25  -7.948 -10.296   7.860
  271   2H4     C  25          2H4         C  25  -8.670  -9.874   6.323
  272    H5     C  25           H5         C  25  -5.704  -9.599   8.475
  273    H6     C  25           H6         C  25  -3.789  -8.300   7.783
  274   1H5*    G  26          1H5*        G  26  -2.841  -3.007   1.894
  275   2H5*    G  26          2H5*        G  26  -4.347  -2.111   2.096
  276    H4*    G  26           H4*        G  26  -3.927  -4.886   3.153
  277    H3*    G  26           H3*        G  26  -3.875  -4.674   0.523
  278    H2*    G  26           H2*        G  26  -5.801  -3.418   0.088
  279   2HO*    G  26          2HO*        G  26  -6.330  -5.602  -0.684
  280    H1*    G  26           H1*        G  26  -7.603  -4.493   2.225
  281    H8     G  26           H8         G  26  -6.240  -1.550   3.543
  282    H1     G  26           H1         G  26  -9.272   0.153  -1.832
  283   1H2     G  26          1H2         G  26  -9.320  -3.220  -2.521
  284   2H2     G  26          2H2         G  26  -9.630  -1.593  -3.088
  285   1H5*    G  27          1H5*        G  27  -6.691  -7.931  -0.940
  286   2H5*    G  27          2H5*        G  27  -5.458  -8.654  -1.983
  287    H4*    G  27           H4*        G  27  -7.257  -7.817  -3.314
  288    H3*    G  27           H3*        G  27  -4.772  -6.103  -3.654
  289    H2*    G  27           H2*        G  27  -6.010  -5.113  -5.484
  290   2HO*    G  27          2HO*        G  27  -7.107  -7.175  -6.070
  291    H1*    G  27           H1*        G  27  -8.309  -4.807  -3.866
  292    H8     G  27           H8         G  27  -5.266  -4.208  -1.757
  293    H1     G  27           H1         G  27  -6.815   0.838  -5.355
  294   1H2     G  27          1H2         G  27  -8.001  -1.550  -7.574
  295   2H2     G  27          2H2         G  27  -7.597   0.130  -7.288
  296   1H5*    A  28          1H5*        A  28  -5.295  -6.863  -7.577
  297   2H5*    A  28          2H5*        A  28  -3.747  -7.433  -8.219
  298    H4*    A  28           H4*        A  28  -4.423  -5.551  -9.473
  299    H3*    A  28           H3*        A  28  -2.142  -4.772  -7.628
  300    H2*    A  28           H2*        A  28  -2.151  -2.700  -8.847
  301   2HO*    A  28          2HO*        A  28  -2.820  -3.991 -10.900
  302    H1*    A  28           H1*        A  28  -4.961  -2.488  -8.776
  303    H8     A  28           H8         A  28  -3.330  -3.775  -5.570
  304   1H6     A  28          1H6         A  28  -2.738   0.496  -3.342
  305   2H6     A  28          2H6         A  28  -2.797   2.156  -3.896
  306    H2     A  28           H2         A  28  -3.956   2.033  -8.221
  307   1H5*    G  29          1H5*        G  29  -0.824  -3.523 -11.198
  308   2H5*    G  29          2H5*        G  29   0.848  -4.022 -11.479
  309    H4*    G  29           H4*        G  29   0.607  -1.647 -11.739
  310    H3*    G  29           H3*        G  29   2.285  -2.395  -9.332
  311    H2*    G  29           H2*        G  29   2.728  -0.057  -9.128
  312   2HO*    G  29          2HO*        G  29   2.722   0.036 -11.661
  313    H1*    G  29           H1*        G  29   0.064   0.704  -9.803
  314    H8     G  29           H8         G  29   0.314  -2.093  -7.252
  315    H1     G  29           H1         G  29   0.378   3.835  -4.785
  316   1H2     G  29          1H2         G  29   1.005   4.850  -8.027
  317   2H2     G  29          2H2         G  29   0.777   5.312  -6.354
  318   1H5*    A  30          1H5*        A  30   4.526   0.135 -11.903
  319   2H5*    A  30          2H5*        A  30   6.251  -0.256 -11.850
  320    H4*    A  30           H4*        A  30   5.849   2.060 -11.253
  321    H3*    A  30           H3*        A  30   6.944   0.334  -9.024
  322    H2*    A  30           H2*        A  30   7.078   2.317  -7.714
  323   2HO*    A  30          2HO*        A  30   7.769   3.889  -9.141
  324    H1*    A  30           H1*        A  30   4.556   3.287  -8.508
  325    H8     A  30           H8         A  30   5.031  -0.461  -7.741
  326   1H6     A  30          1H6         A  30   2.924   0.927  -2.080
  327   2H6     A  30          2H6         A  30   3.332  -0.376  -3.174
  328    H2     A  30           H2         A  30   3.431   4.748  -4.347
  329   1H5*    U  31          1H5*        U  31  11.460   2.310  -9.732
  330   2H5*    U  31          2H5*        U  31  11.516   2.400  -7.970
  331    H4*    U  31           H4*        U  31   9.344   3.558  -9.713
  332    H3*    U  31           H3*        U  31  11.704   4.882  -8.390
  333    H2*    U  31           H2*        U  31  10.371   6.749  -7.926
  334   2HO*    U  31          2HO*        U  31   9.313   6.806  -9.996
  335    H1*    U  31           H1*        U  31   7.932   5.164  -7.360
  336    H3     U  31           H3         U  31  10.143   7.665  -3.793
  337    H5     U  31           H5         U  31   9.791   3.571  -3.020
  338    H6     U  31           H6         U  31   9.019   3.293  -5.284
  339   1H5*    A  32          1H5*        A  32  10.050   6.627 -12.653
  340   2H5*    A  32          2H5*        A  32  10.999   8.066 -13.052
  341    H4*    A  32           H4*        A  32   8.639   8.502 -13.310
  342    H3*    A  32           H3*        A  32   9.926  10.022 -11.037
  343    H2*    A  32           H2*        A  32   7.859  10.913 -10.513
  344   2HO*    A  32          2HO*        A  32   6.828  11.793 -12.152
  345    H1*    A  32           H1*        A  32   6.309   8.705 -11.700
  346    H8     A  32           H8         A  32   8.561   9.052  -8.552
  347   1H6     A  32          1H6         A  32   3.274   9.836  -5.467
  348   2H6     A  32          2H6         A  32   5.001   9.602  -5.302
  349    H2     A  32           H2         A  32   2.275   9.233  -9.780
  350   1H5*    U  33          1H5*        U  33   7.850  13.148 -13.254
  351   2H5*    U  33          2H5*        U  33   8.696  14.653 -12.879
  352    H4*    U  33           H4*        U  33   6.308  14.466 -12.104
  353    H3*    U  33           H3*        U  33   8.446  15.216 -10.100
  354    H2*    U  33           H2*        U  33   6.640  15.548  -8.549
  355   2HO*    U  33          2HO*        U  33   4.433  15.266  -9.282
  356    H1*    U  33           H1*        U  33   5.356  13.139  -9.244
  357    H3     U  33           H3         U  33   7.038  12.208  -5.142
  358    H5     U  33           H5         U  33  10.318  11.873  -7.737
  359    H6     U  33           H6         U  33   8.991  12.930  -9.429
  360   1H5*    C  34          1H5*        C  34   5.467  18.081  -9.786
  361   2H5*    C  34          2H5*        C  34   6.147  19.701  -9.584
  362    H4*    C  34           H4*        C  34   4.620  19.142  -7.787
  363    H3*    C  34           H3*        C  34   7.501  19.453  -6.900
  364    H2*    C  34           H2*        C  34   6.654  19.260  -4.671
  365   2HO*    C  34          2HO*        C  34   4.390  19.220  -4.263
  366    H1*    C  34           H1*        C  34   4.885  17.140  -5.340
  367   1H4     C  34          1H4         C  34  10.707  14.218  -4.331
  368   2H4     C  34          2H4         C  34   9.873  14.164  -2.793
  369    H5     C  34           H5         C  34   9.914  15.546  -6.208
  370    H6     C  34           H6         C  34   8.086  16.914  -7.033
  371   1H5*    A  35          1H5*        A  35   5.379  21.997  -4.494
  372   2H5*    A  35          2H5*        A  35   6.160  23.583  -4.411
  373    H4*    A  35           H4*        A  35   5.848  22.821  -2.200
  374    H3*    A  35           H3*        A  35   8.763  22.583  -2.995
  375    H2*    A  35           H2*        A  35   9.165  21.986  -0.712
  376   2HO*    A  35          2HO*        A  35   7.856  22.663   0.838
  377    H1*    A  35           H1*        A  35   6.968  20.231  -0.588
  378    H8     A  35           H8         A  35   8.869  20.116  -3.888
  379   1H6     A  35          1H6         A  35  11.997  16.564  -2.750
  380   2H6     A  35          2H6         A  35  12.401  15.765  -1.245
  381    H2     A  35           H2         A  35   9.814  17.567   1.929
  382   1H5*    C  36          1H5*        C  36   8.467  24.942   0.427
  383   2H5*    C  36          2H5*        C  36   9.645  26.259   0.466
  384    H4*    C  36           H4*        C  36   9.788  24.890   2.439
  385    H3*    C  36           H3*        C  36  12.262  24.635   0.698
  386    H2*    C  36           H2*        C  36  13.175  23.495   2.648
  387   2HO*    C  36          2HO*        C  36  11.712  24.930   4.102
  388    H1*    C  36           H1*        C  36  10.934  21.869   2.857
  389   1H4     C  36          1H4         C  36  14.007  19.267  -2.339
  390   2H4     C  36          2H4         C  36  14.644  18.428  -0.940
  391    H5     C  36           H5         C  36  12.617  21.248  -2.156
  392    H6     C  36           H6         C  36  11.533  22.773  -0.611
  393   1H5*    C  37          1H5*        C  37  13.775  25.878   4.189
  394   2H5*    C  37          2H5*        C  37  14.943  27.192   3.991
  395    H4*    C  37           H4*        C  37  15.910  25.376   5.222
  396    H3*    C  37           H3*        C  37  17.163  25.637   2.465
  397    H2*    C  37           H2*        C  37  18.772  24.053   3.333
  398   2HO*    C  37          2HO*        C  37  18.306  25.118   5.635
  399    H1*    C  37           H1*        C  37  16.754  22.437   4.452
  400   1H4     C  37          1H4         C  37  16.584  20.625  -1.847
  401   2H4     C  37          2H4         C  37  17.699  19.524  -1.068
  402    H5     C  37           H5         C  37  15.803  22.667  -0.789
  403    H6     C  37           H6         C  37  15.785  23.948   1.271
  404   1H5*    C  38          1H5*        C  38  20.441  25.879   4.712
  405   2H5*    C  38          2H5*        C  38  21.429  27.265   4.228
  406    H4*    C  38           H4*        C  38  22.784  25.349   4.109
  407    H3*    C  38           H3*        C  38  22.022  26.172   1.293
  408    H2*    C  38           H2*        C  38  23.544  24.499   0.571
  409   2HO*    C  38          2HO*        C  38  25.032  25.110   2.485
  410    H1*    C  38           H1*        C  38  22.758  22.664   2.628
  411   1H4     C  38          1H4         C  38  19.058  22.042  -2.872
  412   2H4     C  38          2H4         C  38  20.198  20.712  -2.877
  413    H5     C  38           H5         C  38  19.081  23.779  -1.177
  414    H6     C  38           H6         C  38  20.236  24.614   0.786
  415    H3T    C  38           H3T        C  38  23.146  27.676   2.504
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  26.036  17.428  -8.683
    2   2H5*    G   1          2H5*        G   1  25.811  15.929  -7.778
    3    H4*    G   1           H4*        G   1  26.987  17.483  -6.418
    4    H3*    G   1           H3*        G   1  24.150  17.060  -5.442
    5    H2*    G   1           H2*        G   1  24.781  18.390  -3.544
    6   2HO*    G   1          2HO*        G   1  26.955  17.693  -3.271
    7    H1*    G   1           H1*        G   1  25.949  20.382  -5.123
    8    H8     G   1           H8         G   1  23.159  19.456  -7.265
    9    H1     G   1           H1         G   1  21.197  22.669  -2.070
   10   1H2     G   1          1H2         G   1  24.278  21.811  -0.755
   11   2H2     G   1          2H2         G   1  22.717  22.560  -0.494
   12    H5T    G   1           H5T        G   1  23.666  16.588  -7.355
   13   1H5*    G   2          1H5*        G   2  26.434  16.114  -2.096
   14   2H5*    G   2          2H5*        G   2  25.839  14.614  -1.368
   15    H4*    G   2           H4*        G   2  25.896  16.359   0.269
   16    H3*    G   2           H3*        G   2  23.049  15.613  -0.468
   17    H2*    G   2           H2*        G   2  22.436  17.021   1.391
   18   2HO*    G   2          2HO*        G   2  23.931  16.852   2.975
   19    H1*    G   2           H1*        G   2  24.176  19.079   0.580
   20    H8     G   2           H8         G   2  22.797  17.774  -2.584
   21    H1     G   2           H1         G   2  18.424  21.062   0.762
   22   1H2     G   2          1H2         G   2  20.638  20.724   3.400
   23   2H2     G   2          2H2         G   2  19.084  21.304   2.841
   24   1H5*    G   3          1H5*        G   3  23.248  15.352   3.640
   25   2H5*    G   3          2H5*        G   3  22.617  13.784   4.162
   26    H4*    G   3           H4*        G   3  21.587  15.526   5.426
   27    H3*    G   3           H3*        G   3  19.649  14.221   3.494
   28    H2*    G   3           H2*        G   3  17.961  15.530   4.598
   29   2HO*    G   3          2HO*        G   3  19.384  15.308   6.712
   30    H1*    G   3           H1*        G   3  19.515  17.874   4.578
   31    H8     G   3           H8         G   3  20.185  16.346   1.291
   32    H1     G   3           H1         G   3  14.417  19.139   1.604
   33   1H2     G   3          1H2         G   3  14.843  18.945   5.029
   34   2H2     G   3          2H2         G   3  13.800  19.377   3.692
   35   1H5*    U   4          1H5*        U   4  17.724  14.102   6.993
   36   2H5*    U   4          2H5*        U   4  17.091  12.486   7.334
   37    H4*    U   4           H4*        U   4  15.324  14.078   7.491
   38    H3*    U   4           H3*        U   4  15.038  12.332   5.029
   39    H2*    U   4           H2*        U   4  12.897  13.357   4.776
   40   2HO*    U   4          2HO*        U   4  13.023  15.059   6.950
   41    H1*    U   4           H1*        U   4  13.891  15.954   5.429
   42    H3     U   4           H3         U   4  12.550  16.144   1.065
   43    H5     U   4           H5         U   4  16.361  14.393   0.981
   44    H6     U   4           H6         U   4  16.223  14.153   3.363
   45   1H5*    G   5          1H5*        G   5  11.570  11.505   7.355
   46   2H5*    G   5          2H5*        G   5  11.276   9.759   7.360
   47    H4*    G   5           H4*        G   5   9.294  10.836   6.655
   48    H3*    G   5           H3*        G   5  10.659   9.527   4.281
   49    H2*    G   5           H2*        G   5   8.667  10.118   3.075
   50   2HO*    G   5          2HO*        G   5   7.376   9.782   5.230
   51    H1*    G   5           H1*        G   5   8.610  12.726   4.109
   52    H8     G   5           H8         G   5  12.167  11.681   3.444
   53    H1     G   5           H1         G   5   9.038  13.832  -1.728
   54   1H2     G   5          1H2         G   5   6.187  13.239   0.136
   55   2H2     G   5          2H2         G   5   6.874  13.777  -1.381
   56   1H5*    A   6          1H5*        A   6   7.021   6.644   4.991
   57   2H5*    A   6          2H5*        A   6   7.069   5.574   3.589
   58    H4*    A   6           H4*        A   6   5.516   7.828   3.941
   59    H3*    A   6           H3*        A   6   5.144   5.834   2.269
   60    H2*    A   6           H2*        A   6   7.205   6.392   0.950
   61   2HO*    A   6          2HO*        A   6   4.914   7.549  -0.310
   62    H1*    A   6           H1*        A   6   5.975   9.214   0.883
   63    H8     A   6           H8         A   6   9.561   8.339   1.856
   64   1H6     A   6          1H6         A   6  11.812  10.350  -1.972
   65   2H6     A   6          2H6         A   6  11.235  10.933  -3.518
   66    H2     A   6           H2         A   6   6.779  10.551  -3.487
   67   1H5*    C   7          1H5*        C   7   3.681   9.147   0.002
   68   2H5*    C   7          2H5*        C   7   1.971   9.178  -0.454
   69    H4*    C   7           H4*        C   7   3.724   9.649  -2.257
   70    H3*    C   7           H3*        C   7   1.454   7.704  -2.702
   71    H2*    C   7           H2*        C   7   2.312   7.418  -4.936
   72   2HO*    C   7          2HO*        C   7   3.852   8.735  -5.802
   73    H1*    C   7           H1*        C   7   4.962   7.022  -4.059
   74   1H4     C   7          1H4         C   7   2.978   1.128  -2.343
   75   2H4     C   7          2H4         C   7   2.573   1.118  -4.044
   76    H5     C   7           H5         C   7   3.580   3.146  -1.147
   77    H6     C   7           H6         C   7   3.959   5.518  -1.345
   78   1H5*    U   8          1H5*        U   8   1.115  10.218  -6.177
   79   2H5*    U   8          2H5*        U   8  -0.472  10.996  -6.026
   80    H4*    U   8           H4*        U   8  -0.347  10.139  -8.212
   81    H3*    U   8           H3*        U   8  -2.122   8.412  -6.470
   82    H2*    U   8           H2*        U   8  -2.590   7.114  -8.439
   83   2HO*    U   8          2HO*        U   8  -2.019   9.324  -9.745
   84    H1*    U   8           H1*        U   8   0.102   6.820  -9.099
   85    H3     U   8           H3         U   8  -1.505   2.981  -7.023
   86    H5     U   8           H5         U   8   0.454   5.279  -4.115
   87    H6     U   8           H6         U   8   0.451   7.101  -5.658
   88   1H5*    C   9          1H5*        C   9  -4.576   8.370  -9.405
   89   2H5*    C   9          2H5*        C   9  -6.162   8.971  -8.892
   90    H4*    C   9           H4*        C   9  -6.341   6.735  -9.764
   91    H3*    C   9           H3*        C   9  -6.859   6.884  -6.779
   92    H2*    C   9           H2*        C   9  -7.503   4.578  -6.965
   93   2HO*    C   9          2HO*        C   9  -8.368   5.102  -9.280
   94    H1*    C   9           H1*        C   9  -5.307   3.914  -8.585
   95   1H4     C   9          1H4         C   9  -2.647   3.855  -2.601
   96   2H4     C   9          2H4         C   9  -3.295   2.246  -2.844
   97    H5     C   9           H5         C   9  -3.085   5.688  -4.126
   98    H6     C   9           H6         C   9  -4.181   6.330  -6.194
   99   1H5*    C  10          1H5*        C  10 -10.309   5.215  -8.907
  100   2H5*    C  10          2H5*        C  10 -11.793   5.513  -7.992
  101    H4*    C  10           H4*        C  10 -11.417   3.147  -8.470
  102    H3*    C  10           H3*        C  10 -11.397   3.831  -5.514
  103    H2*    C  10           H2*        C  10 -11.420   1.425  -5.218
  104   2HO*    C  10          2HO*        C  10 -12.078   0.137  -6.805
  105    H1*    C  10           H1*        C  10  -9.281   1.081  -6.964
  106   1H4     C  10          1H4         C  10  -6.607   3.833  -1.586
  107   2H4     C  10          2H4         C  10  -6.478   2.106  -1.342
  108    H5     C  10           H5         C  10  -8.032   4.800  -3.305
  109    H6     C  10           H6         C  10  -9.327   4.326  -5.281
  110   1H5*    A  11          1H5*        A  11 -14.593   0.979  -6.703
  111   2H5*    A  11          2H5*        A  11 -15.714   0.670  -5.374
  112    H4*    A  11           H4*        A  11 -14.381  -1.269  -6.336
  113    H3*    A  11           H3*        A  11 -14.375  -0.889  -3.324
  114    H2*    A  11           H2*        A  11 -13.422  -3.126  -3.358
  115   2HO*    A  11          2HO*        A  11 -13.658  -3.029  -6.216
  116    H1*    A  11           H1*        A  11 -11.564  -2.349  -5.353
  117    H8     A  11           H8         A  11 -11.626   0.622  -3.264
  118   1H6     A  11          1H6         A  11  -9.056  -2.540   1.409
  119   2H6     A  11          2H6         A  11  -9.632  -0.967   0.898
  120    H2     A  11           H2         A  11  -9.931  -5.408  -1.909
  121   1H5*    G  12          1H5*        G  12 -16.313  -4.476  -5.284
  122   2H5*    G  12          2H5*        G  12 -17.668  -4.959  -4.258
  123    H4*    G  12           H4*        G  12 -16.867  -6.958  -4.713
  124    H3*    G  12           H3*        G  12 -16.097  -6.322  -2.111
  125    H2*    G  12           H2*        G  12 -13.681  -6.421  -2.441
  126   2HO*    G  12          2HO*        G  12 -14.430  -8.644  -1.579
  127    H1*    G  12           H1*        G  12 -14.420  -8.402  -4.544
  128    H8     G  12           H8         G  12 -12.113  -5.210  -4.666
  129    H1     G  12           H1         G  12  -9.810 -10.514  -7.431
  130   1H2     G  12          1H2         G  12 -11.322 -12.106  -7.408
  131   2H2     G  12          2H2         G  12 -12.907 -11.872  -6.701
  132   1H5*    A  13          1H5*        A  13 -18.162  -9.761   0.215
  133   2H5*    A  13          2H5*        A  13 -17.414  -8.500   1.203
  134    H4*    A  13           H4*        A  13 -16.265  -9.872  -1.203
  135    H3*    A  13           H3*        A  13 -15.929 -11.151   1.021
  136    H2*    A  13           H2*        A  13 -15.567  -9.080   2.303
  137   2HO*    A  13          2HO*        A  13 -13.475 -10.771   2.031
  138    H1*    A  13           H1*        A  13 -13.305  -8.183   0.452
  139    H8     A  13           H8         A  13 -16.513  -6.593   0.319
  140   1H6     A  13          1H6         A  13 -14.965  -2.112   1.150
  141   2H6     A  13          2H6         A  13 -13.329  -1.489   1.173
  142    H2     A  13           H2         A  13 -10.610  -5.021   1.099
  143   1H5*    G  14          1H5*        G  14 -13.921 -11.509  -2.784
  144   2H5*    G  14          2H5*        G  14 -12.705 -12.619  -3.417
  145    H4*    G  14           H4*        G  14 -12.091 -10.226  -3.595
  146    H3*    G  14           H3*        G  14 -10.334 -12.113  -2.110
  147    H2*    G  14           H2*        G  14  -8.758 -10.317  -1.723
  148   2HO*    G  14          2HO*        G  14  -9.466  -9.316  -3.922
  149    H1*    G  14           H1*        G  14 -10.774  -8.572  -0.815
  150    H8     G  14           H8         G  14 -12.421 -11.002   0.461
  151    H1     G  14           H1         G  14  -8.707  -8.313   4.357
  152   1H2     G  14          1H2         G  14  -7.296  -6.840   1.562
  153   2H2     G  14          2H2         G  14  -7.264  -6.973   3.307
  154   1H5*    G  15          1H5*        G  15  -6.935 -10.598  -3.953
  155   2H5*    G  15          2H5*        G  15  -6.230 -12.059  -4.669
  156    H4*    G  15           H4*        G  15  -4.641 -11.193  -3.172
  157    H3*    G  15           H3*        G  15  -5.986 -13.630  -1.973
  158    H2*    G  15           H2*        G  15  -4.494 -13.405  -0.146
  159   2HO*    G  15          2HO*        G  15  -2.761 -12.684  -1.880
  160    H1*    G  15           H1*        G  15  -4.559 -10.540  -0.144
  161    H8     G  15           H8         G  15  -7.971 -12.185  -0.259
  162    H1     G  15           H1         G  15  -5.503 -11.694   5.641
  163   1H2     G  15          1H2         G  15  -2.701 -10.447   4.043
  164   2H2     G  15          2H2         G  15  -3.471 -10.880   5.555
  165   1H5*    U  16          1H5*        U  16  -2.077 -15.298  -1.421
  166   2H5*    U  16          2H5*        U  16  -2.319 -16.915  -2.095
  167    H4*    U  16           H4*        U  16  -1.678 -17.255   0.099
  168    H3*    U  16           H3*        U  16  -4.702 -17.538   0.096
  169    H2*    U  16           H2*        U  16  -4.371 -18.362   2.334
  170   2HO*    U  16          2HO*        U  16  -2.397 -18.947   3.105
  171    H1*    U  16           H1*        U  16  -2.563 -16.270   2.940
  172    H3     U  16           H3         U  16  -6.411 -15.871   5.369
  173    H5     U  16           H5         U  16  -7.570 -14.859   1.464
  174    H6     U  16           H6         U  16  -5.328 -15.313   0.760
  175   1H5*    C  17          1H5*        C  17  -3.620 -20.848   2.080
  176   2H5*    C  17          2H5*        C  17  -4.229 -22.234   1.169
  177    H4*    C  17           H4*        C  17  -4.896 -22.697   3.281
  178    H3*    C  17           H3*        C  17  -7.318 -21.352   2.065
  179    H2*    C  17           H2*        C  17  -8.422 -21.962   4.088
  180   2HO*    C  17          2HO*        C  17  -7.717 -24.007   4.557
  181    H1*    C  17           H1*        C  17  -6.166 -21.291   5.709
  182   1H4     C  17          1H4         C  17 -11.061 -17.034   4.325
  183   2H4     C  17          2H4         C  17 -11.121 -17.350   6.046
  184    H5     C  17           H5         C  17  -9.205 -17.774   2.929
  185    H6     C  17           H6         C  17  -7.226 -19.188   2.860
  186   1H5*    G  18          1H5*        G  18  -8.258 -25.567   2.777
  187   2H5*    G  18          2H5*        G  18  -9.633 -26.156   1.832
  188    H4*    G  18           H4*        G  18  -9.769 -26.109   4.415
  189    H3*    G  18           H3*        G  18 -12.042 -25.087   2.694
  190    H2*    G  18           H2*        G  18 -13.221 -24.719   4.700
  191   2HO*    G  18          2HO*        G  18 -12.354 -25.620   6.731
  192    H1*    G  18           H1*        G  18 -10.800 -24.112   6.212
  193    H8     G  18           H8         G  18 -11.131 -21.726   3.383
  194    H1     G  18           H1         G  18 -13.371 -20.305   8.942
  195   1H2     G  18          1H2         G  18 -14.751 -21.946   9.838
  196   2H2     G  18          2H2         G  18 -14.670 -23.540   9.120
  197   1H5*    A  19          1H5*        A  19 -15.061 -29.575   3.936
  198   2H5*    A  19          2H5*        A  19 -16.058 -28.118   4.072
  199    H4*    A  19           H4*        A  19 -16.385 -29.542   5.984
  200    H3*    A  19           H3*        A  19 -14.980 -26.941   6.637
  201    H2*    A  19           H2*        A  19 -15.018 -27.621   8.921
  202   2HO*    A  19          2HO*        A  19 -17.267 -28.801   8.250
  203    H1*    A  19           H1*        A  19 -14.435 -30.341   8.399
  204    H8     A  19           H8         A  19 -11.995 -28.540   6.321
  205   1H6     A  19          1H6         A  19  -8.358 -28.893   9.554
  206   2H6     A  19          2H6         A  19  -8.328 -29.069  11.295
  207    H2     A  19           H2         A  19 -12.572 -29.335  12.667
  208   1H5*    G  20          1H5*        G  20 -17.759 -27.012   9.526
  209   2H5*    G  20          2H5*        G  20 -18.618 -25.465   9.605
  210    H4*    G  20           H4*        G  20 -17.586 -25.973  11.725
  211    H3*    G  20           H3*        G  20 -16.560 -23.569  10.252
  212    H2*    G  20           H2*        G  20 -14.895 -23.218  11.909
  213   2HO*    G  20          2HO*        G  20 -15.732 -23.468  13.871
  214    H1*    G  20           H1*        G  20 -14.370 -25.923  12.469
  215    H8     G  20           H8         G  20 -14.409 -25.204   8.750
  216    H1     G  20           H1         G  20  -8.699 -25.902  11.560
  217   1H2     G  20          1H2         G  20  -8.954 -26.090  13.733
  218   2H2     G  20          2H2         G  20 -10.490 -25.788  14.516
  219   1H5*    A  21          1H5*        A  21 -17.962 -22.022  14.440
  220   2H5*    A  21          2H5*        A  21 -17.936 -20.261  14.286
  221    H4*    A  21           H4*        A  21 -16.328 -21.444  15.890
  222    H3*    A  21           H3*        A  21 -15.297 -19.235  14.089
  223    H2*    A  21           H2*        A  21 -13.160 -19.616  15.441
  224   2HO*    A  21          2HO*        A  21 -14.577 -20.437  17.325
  225    H1*    A  21           H1*        A  21 -13.037 -21.989  14.708
  226    H8     A  21           H8         A  21 -15.259 -20.488  12.009
  227   1H6     A  21          1H6         A  21 -11.992 -21.499   8.469
  228   2H6     A  21          2H6         A  21 -10.357 -22.060   8.625
  229    H2     A  21           H2         A  21  -9.679 -23.052  12.845
  230   1H5*    G  22          1H5*        G  22 -13.244 -15.350  16.697
  231   2H5*    G  22          2H5*        G  22 -13.982 -15.558  15.103
  232    H4*    G  22           H4*        G  22 -12.295 -17.641  16.491
  233    H3*    G  22           H3*        G  22 -11.368 -15.647  14.408
  234    H2*    G  22           H2*        G  22 -10.016 -17.444  13.589
  235   2HO*    G  22          2HO*        G  22  -9.011 -18.618  15.079
  236    H1*    G  22           H1*        G  22 -11.751 -19.447  14.010
  237    H8     G  22           H8         G  22 -13.593 -16.899  12.585
  238    H1     G  22           H1         G  22  -9.321 -18.742   8.221
  239   1H2     G  22          1H2         G  22  -7.874 -20.466  10.825
  240   2H2     G  22          2H2         G  22  -7.874 -20.071   9.117
  241   1H5*    A  23          1H5*        A  23  -7.738 -17.017  15.779
  242   2H5*    A  23          2H5*        A  23  -6.946 -15.619  16.528
  243    H4*    A  23           H4*        A  23  -5.322 -16.513  15.157
  244    H3*    A  23           H3*        A  23  -6.604 -14.221  13.627
  245    H2*    A  23           H2*        A  23  -4.880 -14.602  11.999
  246   2HO*    A  23          2HO*        A  23  -3.124 -15.055  13.405
  247    H1*    A  23           H1*        A  23  -5.185 -17.399  12.070
  248    H8     A  23           H8         A  23  -8.534 -15.642  12.240
  249   1H6     A  23          1H6         A  23  -9.473 -15.535   7.445
  250   2H6     A  23          2H6         A  23  -8.451 -15.688   6.034
  251    H2     A  23           H2         A  23  -4.418 -16.956   7.491
  252   1H5*    C  24          1H5*        C  24  -2.575 -13.021  13.831
  253   2H5*    C  24          2H5*        C  24  -2.484 -11.280  14.149
  254    H4*    C  24           H4*        C  24  -1.365 -11.966  12.068
  255    H3*    C  24           H3*        C  24  -3.697 -10.053  11.724
  256    H2*    C  24           H2*        C  24  -2.979  -9.928   9.415
  257   2HO*    C  24          2HO*        C  24  -0.975 -10.453   8.844
  258    H1*    C  24           H1*        C  24  -2.713 -12.729   9.221
  259   1H4     C  24          1H4         C  24  -9.012 -13.071   8.405
  260   2H4     C  24          2H4         C  24  -8.356 -12.689   6.824
  261    H5     C  24           H5         C  24  -7.726 -12.798  10.450
  262    H6     C  24           H6         C  24  -5.545 -12.284  11.362
  263   1H5*    C  25          1H5*        C  25  -1.822  -5.755   9.646
  264   2H5*    C  25          2H5*        C  25  -3.440  -6.477   9.749
  265    H4*    C  25           H4*        C  25  -1.375  -7.391   7.769
  266    H3*    C  25           H3*        C  25  -2.073  -4.892   7.342
  267    H2*    C  25           H2*        C  25  -4.464  -5.391   7.882
  268   2HO*    C  25          2HO*        C  25  -3.855  -5.032   5.145
  269    H1*    C  25           H1*        C  25  -4.078  -7.591   5.767
  270   1H4     C  25          1H4         C  25  -9.438 -10.115   8.412
  271   2H4     C  25          2H4         C  25  -9.759  -9.909   6.703
  272    H5     C  25           H5         C  25  -7.477  -9.181   9.495
  273    H6     C  25           H6         C  25  -5.418  -7.938   9.149
  274   1H5*    G  26          1H5*        G  26  -3.366  -7.129   3.880
  275   2H5*    G  26          2H5*        G  26  -2.310  -6.879   2.491
  276    H4*    G  26           H4*        G  26  -4.903  -7.262   2.235
  277    H3*    G  26           H3*        G  26  -3.210  -5.446   0.524
  278    H2*    G  26           H2*        G  26  -5.132  -4.938  -0.713
  279   2HO*    G  26          2HO*        G  26  -6.111  -6.935  -0.946
  280    H1*    G  26           H1*        G  26  -6.902  -4.865   1.657
  281    H8     G  26           H8         G  26  -4.643  -2.802   3.113
  282    H1     G  26           H1         G  26  -7.465   0.220  -1.793
  283   1H2     G  26          1H2         G  26  -7.971  -2.908  -3.091
  284   2H2     G  26          2H2         G  26  -8.106  -1.179  -3.314
  285   1H5*    G  27          1H5*        G  27  -4.949  -8.529  -1.954
  286   2H5*    G  27          2H5*        G  27  -4.136  -8.809  -3.500
  287    H4*    G  27           H4*        G  27  -6.452  -7.949  -3.680
  288    H3*    G  27           H3*        G  27  -4.273  -6.253  -4.945
  289    H2*    G  27           H2*        G  27  -6.143  -4.962  -5.843
  290   2HO*    G  27          2HO*        G  27  -7.579  -6.940  -5.923
  291    H1*    G  27           H1*        G  27  -7.274  -4.666  -3.296
  292    H8     G  27           H8         G  27  -3.781  -4.804  -2.288
  293    H1     G  27           H1         G  27  -5.151   0.767  -5.105
  294   1H2     G  27          1H2         G  27  -7.170  -1.145  -7.165
  295   2H2     G  27          2H2         G  27  -6.426   0.409  -6.850
  296   1H5*    A  28          1H5*        A  28  -6.485  -6.357  -8.532
  297   2H5*    A  28          2H5*        A  28  -5.283  -6.932  -9.699
  298    H4*    A  28           H4*        A  28  -6.142  -4.797 -10.372
  299    H3*    A  28           H3*        A  28  -3.252  -4.602  -9.465
  300    H2*    A  28           H2*        A  28  -3.364  -2.359 -10.354
  301   2HO*    A  28          2HO*        A  28  -4.903  -1.763 -11.749
  302    H1*    A  28           H1*        A  28  -5.738  -1.821  -8.997
  303    H8     A  28           H8         A  28  -3.502  -4.136  -6.980
  304   1H6     A  28          1H6         A  28  -1.109  -0.695  -4.505
  305   2H6     A  28          2H6         A  28  -0.819   1.004  -4.811
  306    H2     A  28           H2         A  28  -2.974   2.028  -8.600
  307   1H5*    G  29          1H5*        G  29  -2.980  -2.492 -12.655
  308   2H5*    G  29          2H5*        G  29  -1.665  -3.077 -13.681
  309    H4*    G  29           H4*        G  29  -1.326  -0.779 -13.224
  310    H3*    G  29           H3*        G  29   0.699  -2.494 -11.763
  311    H2*    G  29           H2*        G  29   1.723  -0.433 -11.152
  312   2HO*    G  29          2HO*        G  29   1.637   0.761 -13.043
  313    H1*    G  29           H1*        G  29  -0.726   0.925 -10.703
  314    H8     G  29           H8         G  29  -0.440  -2.528  -9.160
  315    H1     G  29           H1         G  29   2.395   2.093  -5.732
  316   1H2     G  29          1H2         G  29   1.841   4.086  -8.492
  317   2H2     G  29          2H2         G  29   2.449   3.980  -6.854
  318   1H5*    A  30          1H5*        A  30   4.822  -1.784 -14.362
  319   2H5*    A  30          2H5*        A  30   5.301  -1.521 -12.682
  320    H4*    A  30           H4*        A  30   3.544   0.200 -14.405
  321    H3*    A  30           H3*        A  30   6.132   0.698 -12.917
  322    H2*    A  30           H2*        A  30   5.417   2.989 -12.640
  323   2HO*    A  30          2HO*        A  30   4.213   2.794 -14.842
  324    H1*    A  30           H1*        A  30   2.893   2.311 -11.734
  325    H8     A  30           H8         A  30   4.568  -0.527 -10.309
  326   1H6     A  30          1H6         A  30   6.340   3.090  -5.613
  327   2H6     A  30          2H6         A  30   6.124   1.434  -6.144
  328    H2     A  30           H2         A  30   4.838   5.724  -8.888
  329   1H5*    U  31          1H5*        U  31   6.790   3.527 -14.488
  330   2H5*    U  31          2H5*        U  31   8.476   3.846 -14.914
  331    H4*    U  31           H4*        U  31   7.583   4.950 -12.821
  332    H3*    U  31           H3*        U  31  10.124   3.304 -12.629
  333    H2*    U  31           H2*        U  31  10.312   4.105 -10.430
  334   2HO*    U  31          2HO*        U  31   9.309   6.273 -11.247
  335    H1*    U  31           H1*        U  31   7.394   3.868  -9.968
  336    H3     U  31           H3         U  31   9.629   1.104  -7.002
  337    H5     U  31           H5         U  31   8.745  -1.157 -10.425
  338    H6     U  31           H6         U  31   8.204   0.886 -11.548
  339   1H5*    A  32          1H5*        A  32  13.113   7.873 -12.972
  340   2H5*    A  32          2H5*        A  32  12.726   8.086 -11.268
  341    H4*    A  32           H4*        A  32  10.953   8.377 -13.658
  342    H3*    A  32           H3*        A  32  12.110  10.403 -12.469
  343    H2*    A  32           H2*        A  32  11.540   9.464 -10.225
  344   2HO*    A  32          2HO*        A  32   9.831  11.624 -10.991
  345    H1*    A  32           H1*        A  32   8.671   9.490 -11.363
  346    H8     A  32           H8         A  32  10.920   7.378  -9.000
  347   1H6     A  32          1H6         A  32   7.614   6.537  -5.544
  348   2H6     A  32          2H6         A  32   5.874   6.724  -5.512
  349    H2     A  32           H2         A  32   4.691   8.824  -9.251
  350   1H5*    U  33          1H5*        U  33   7.632  11.574 -12.652
  351   2H5*    U  33          2H5*        U  33   7.392  13.303 -12.918
  352    H4*    U  33           H4*        U  33   6.040  12.503 -11.108
  353    H3*    U  33           H3*        U  33   8.189  14.383 -10.106
  354    H2*    U  33           H2*        U  33   7.021  14.266  -8.023
  355   2HO*    U  33          2HO*        U  33   4.894  14.094  -8.135
  356    H1*    U  33           H1*        U  33   6.563  11.451  -8.285
  357    H3     U  33           H3         U  33   9.360  11.048  -4.842
  358    H5     U  33           H5         U  33  11.768  12.693  -7.853
  359    H6     U  33           H6         U  33   9.751  13.212  -9.056
  360   1H5*    C  34          1H5*        C  34   4.233  16.060  -9.207
  361   2H5*    C  34          2H5*        C  34   4.364  17.821  -9.090
  362    H4*    C  34           H4*        C  34   3.437  16.902  -7.070
  363    H3*    C  34           H3*        C  34   6.227  18.015  -6.634
  364    H2*    C  34           H2*        C  34   5.783  17.641  -4.303
  365   2HO*    C  34          2HO*        C  34   3.313  18.108  -4.879
  366    H1*    C  34           H1*        C  34   4.686  15.078  -4.767
  367   1H4     C  34          1H4         C  34  11.343  14.902  -4.648
  368   2H4     C  34          2H4         C  34  10.803  14.297  -3.098
  369    H5     C  34           H5         C  34   9.823  15.820  -6.301
  370    H6     C  34           H6         C  34   7.496  16.209  -6.853
  371   1H5*    A  35          1H5*        A  35   3.730  19.964  -3.898
  372   2H5*    A  35          2H5*        A  35   4.223  21.651  -3.702
  373    H4*    A  35           H4*        A  35   4.192  20.514  -1.584
  374    H3*    A  35           H3*        A  35   7.004  21.242  -2.457
  375    H2*    A  35           H2*        A  35   7.631  20.561  -0.230
  376   2HO*    A  35          2HO*        A  35   5.840  21.316   0.973
  377    H1*    A  35           H1*        A  35   6.121  18.200  -0.371
  378    H8     A  35           H8         A  35   7.748  19.054  -3.690
  379   1H6     A  35          1H6         A  35  12.006  16.813  -3.016
  380   2H6     A  35          2H6         A  35  12.847  16.250  -1.586
  381    H2     A  35           H2         A  35  10.080  16.891   1.877
  382   1H5*    C  36          1H5*        C  36   6.289  23.161   1.251
  383   2H5*    C  36          2H5*        C  36   7.139  24.707   1.354
  384    H4*    C  36           H4*        C  36   7.713  23.172   3.160
  385    H3*    C  36           H3*        C  36  10.055  23.854   1.352
  386    H2*    C  36           H2*        C  36  11.363  22.756   3.083
  387   2HO*    C  36          2HO*        C  36   9.553  23.490   4.735
  388    H1*    C  36           H1*        C  36   9.673  20.543   3.090
  389   1H4     C  36          1H4         C  36  13.113  19.848  -2.490
  390   2H4     C  36          2H4         C  36  14.167  19.231  -1.234
  391    H5     C  36           H5         C  36  11.103  21.110  -2.001
  392    H6     C  36           H6         C  36   9.689  21.970  -0.231
  393   1H5*    C  37          1H5*        C  37  11.477  24.718   4.967
  394   2H5*    C  37          2H5*        C  37  12.259  26.305   5.002
  395    H4*    C  37           H4*        C  37  13.731  24.576   5.816
  396    H3*    C  37           H3*        C  37  14.683  25.760   3.186
  397    H2*    C  37           H2*        C  37  16.709  24.531   3.653
  398   2HO*    C  37          2HO*        C  37  16.108  24.855   6.151
  399    H1*    C  37           H1*        C  37  15.272  22.207   4.332
  400   1H4     C  37          1H4         C  37  15.099  22.017  -2.218
  401   2H4     C  37          2H4         C  37  16.597  21.227  -1.761
  402    H5     C  37           H5         C  37  13.803  23.347  -0.643
  403    H6     C  37           H6         C  37  13.642  24.078   1.667
  404   1H5*    C  38          1H5*        C  38  17.964  26.360   5.392
  405   2H5*    C  38          2H5*        C  38  18.477  28.048   5.260
  406    H4*    C  38           H4*        C  38  20.314  26.708   4.678
  407    H3*    C  38           H3*        C  38  19.136  27.876   2.140
  408    H2*    C  38           H2*        C  38  21.029  26.948   1.041
  409   2HO*    C  38          2HO*        C  38  22.354  27.492   3.141
  410    H1*    C  38           H1*        C  38  20.949  24.540   2.586
  411   1H4     C  38          1H4         C  38  17.129  24.135  -2.854
  412   2H4     C  38          2H4         C  38  18.597  23.240  -3.193
  413    H5     C  38           H5         C  38  16.813  25.391  -0.793
  414    H6     C  38           H6         C  38  17.834  26.028   1.316
  415    H3T    C  38           H3T        C  38  19.856  29.343   3.654
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  23.513  16.139 -12.471
    2   2H5*    G   1          2H5*        G   1  22.985  14.532 -11.967
    3    H4*    G   1           H4*        G   1  24.850  15.173 -10.647
    4    H3*    G   1           H3*        G   1  22.288  15.206  -9.029
    5    H2*    G   1           H2*        G   1  23.697  15.606  -7.124
    6   2HO*    G   1          2HO*        G   1  25.482  14.226  -8.182
    7    H1*    G   1           H1*        G   1  25.159  17.615  -8.418
    8    H8     G   1           H8         G   1  21.777  18.153  -9.735
    9    H1     G   1           H1         G   1  22.403  20.178  -3.680
   10   1H2     G   1          1H2         G   1  25.198  18.146  -3.609
   11   2H2     G   1          2H2         G   1  24.130  19.221  -2.732
   12    H5T    G   1           H5T        G   1  21.292  15.505 -10.814
   13   1H5*    G   2          1H5*        G   2  24.795  12.692  -6.878
   14   2H5*    G   2          2H5*        G   2  23.921  11.236  -6.377
   15    H4*    G   2           H4*        G   2  24.906  12.275  -4.469
   16    H3*    G   2           H3*        G   2  21.888  12.590  -4.461
   17    H2*    G   2           H2*        G   2  22.191  13.460  -2.237
   18   2HO*    G   2          2HO*        G   2  24.207  11.901  -2.047
   19    H1*    G   2           H1*        G   2  24.336  15.111  -3.014
   20    H8     G   2           H8         G   2  21.847  15.169  -5.790
   21    H1     G   2           H1         G   2  20.007  18.660  -0.733
   22   1H2     G   2          1H2         G   2  22.554  17.024   0.938
   23   2H2     G   2          2H2         G   2  21.252  18.191   1.008
   24   1H5*    G   3          1H5*        G   3  22.919  10.903  -0.825
   25   2H5*    G   3          2H5*        G   3  21.888   9.508  -0.476
   26    H4*    G   3           H4*        G   3  21.936  11.016   1.394
   27    H3*    G   3           H3*        G   3  19.233  10.902   0.025
   28    H2*    G   3           H2*        G   3  18.450  12.246   1.852
   29   2HO*    G   3          2HO*        G   3  20.241  11.034   3.262
   30    H1*    G   3           H1*        G   3  20.682  13.971   1.779
   31    H8     G   3           H8         G   3  19.916  13.411  -1.771
   32    H1     G   3           H1         G   3  15.892  17.538   1.045
   33   1H2     G   3          1H2         G   3  16.904  16.055   3.996
   34   2H2     G   3          2H2         G   3  15.884  17.242   3.211
   35   1H5*    U   4          1H5*        U   4  18.384  10.155   3.886
   36   2H5*    U   4          2H5*        U   4  17.322   8.752   4.073
   37    H4*    U   4           H4*        U   4  16.365  10.647   5.173
   38    H3*    U   4           H3*        U   4  14.815   9.883   2.681
   39    H2*    U   4           H2*        U   4  13.214  11.506   3.401
   40   2HO*    U   4          2HO*        U   4  13.938  10.842   5.805
   41    H1*    U   4           H1*        U   4  15.207  13.388   4.167
   42    H3     U   4           H3         U   4  13.026  15.347   0.688
   43    H5     U   4           H5         U   4  15.720  12.656  -1.076
   44    H6     U   4           H6         U   4  16.104  11.726   1.100
   45   1H5*    G   5          1H5*        G   5  12.137   9.603   6.020
   46   2H5*    G   5          2H5*        G   5  11.031   8.239   5.793
   47    H4*    G   5           H4*        G   5   9.778  10.233   6.172
   48    H3*    G   5           H3*        G   5   9.528   9.287   3.301
   49    H2*    G   5           H2*        G   5   7.854  11.011   3.091
   50   2HO*    G   5          2HO*        G   5   7.325  10.622   5.553
   51    H1*    G   5           H1*        G   5   9.454  12.943   4.334
   52    H8     G   5           H8         G   5  11.519  10.568   2.225
   53    H1     G   5           H1         G   5   8.818  15.325  -1.118
   54   1H2     G   5          1H2         G   5   6.957  15.877   1.737
   55   2H2     G   5          2H2         G   5   7.277  16.318   0.074
   56   1H5*    A   6          1H5*        A   6   5.737   9.537   4.988
   57   2H5*    A   6          2H5*        A   6   4.606   8.303   4.424
   58    H4*    A   6           H4*        A   6   3.935  10.697   4.142
   59    H3*    A   6           H3*        A   6   3.020   8.689   2.638
   60    H2*    A   6           H2*        A   6   4.893   8.817   1.042
   61   2HO*    A   6          2HO*        A   6   2.512   9.985   0.227
   62    H1*    A   6           H1*        A   6   4.312  11.848   1.130
   63    H8     A   6           H8         A   6   7.670   9.914   1.255
   64   1H6     A   6          1H6         A   6   9.444  11.424  -3.021
   65   2H6     A   6          2H6         A   6   8.765  12.380  -4.323
   66    H2     A   6           H2         A   6   4.672  13.634  -3.033
   67   1H5*    C   7          1H5*        C   7   1.393  11.694  -0.125
   68   2H5*    C   7          2H5*        C   7  -0.370  11.529  -0.142
   69    H4*    C   7           H4*        C   7   0.792  11.443  -2.372
   70    H3*    C   7           H3*        C   7  -1.034   9.150  -1.607
   71    H2*    C   7           H2*        C   7  -0.672   8.372  -3.854
   72   2HO*    C   7          2HO*        C   7  -0.316   9.838  -5.362
   73    H1*    C   7           H1*        C   7   2.120   8.810  -3.721
   74   1H4     C   7          1H4         C   7   1.765   3.115  -0.592
   75   2H4     C   7          2H4         C   7   1.566   2.677  -2.275
   76    H5     C   7           H5         C   7   1.620   5.403   0.193
   77    H6     C   7           H6         C   7   1.361   7.718  -0.479
   78   1H5*    U   8          1H5*        U   8  -2.320  11.213  -5.097
   79   2H5*    U   8          2H5*        U   8  -4.055  11.192  -5.447
   80    H4*    U   8           H4*        U   8  -2.657  10.293  -7.268
   81    H3*    U   8           H3*        U   8  -4.695   8.416  -6.048
   82    H2*    U   8           H2*        U   8  -4.036   6.837  -7.736
   83   2HO*    U   8          2HO*        U   8  -3.546   8.864  -9.220
   84    H1*    U   8           H1*        U   8  -1.296   7.235  -7.331
   85    H3     U   8           H3         U   8  -2.167   3.142  -5.564
   86    H5     U   8           H5         U   8  -2.131   5.928  -2.442
   87    H6     U   8           H6         U   8  -2.603   7.624  -4.055
   88   1H5*    C   9          1H5*        C   9  -5.503   7.698  -9.741
   89   2H5*    C   9          2H5*        C   9  -7.238   7.801 -10.082
   90    H4*    C   9           H4*        C   9  -6.502   5.608 -10.606
   91    H3*    C   9           H3*        C   9  -8.144   5.627  -8.059
   92    H2*    C   9           H2*        C   9  -8.001   3.242  -8.138
   93   2HO*    C   9          2HO*        C   9  -8.021   2.423 -10.125
   94    H1*    C   9           H1*        C   9  -5.258   3.239  -8.778
   95   1H4     C   9          1H4         C   9  -4.882   4.197  -2.346
   96   2H4     C   9          2H4         C   9  -4.857   2.461  -2.570
   97    H5     C   9           H5         C   9  -5.464   5.737  -4.129
   98    H6     C   9           H6         C   9  -6.000   5.926  -6.487
   99   1H5*    C  10          1H5*        C  10  -9.862   2.996 -10.954
  100   2H5*    C  10          2H5*        C  10 -11.618   2.863 -10.777
  101    H4*    C  10           H4*        C  10 -10.547   0.704 -10.640
  102    H3*    C  10           H3*        C  10 -11.800   1.558  -8.013
  103    H2*    C  10           H2*        C  10 -11.346  -0.729  -7.344
  104   2HO*    C  10          2HO*        C  10 -11.671  -1.727  -9.443
  105    H1*    C  10           H1*        C  10  -8.697  -0.557  -8.176
  106   1H4     C  10          1H4         C  10  -8.807   3.246  -2.802
  107   2H4     C  10          2H4         C  10  -8.294   1.664  -2.256
  108    H5     C  10           H5         C  10  -9.879   3.585  -4.961
  109    H6     C  10           H6         C  10 -10.209   2.626  -7.151
  110   1H5*    A  11          1H5*        A  11 -13.717  -2.077  -9.715
  111   2H5*    A  11          2H5*        A  11 -15.159  -2.530  -8.801
  112    H4*    A  11           H4*        A  11 -13.226  -4.166  -8.884
  113    H3*    A  11           H3*        A  11 -14.300  -3.430  -6.139
  114    H2*    A  11           H2*        A  11 -12.965  -5.345  -5.451
  115   2HO*    A  11          2HO*        A  11 -13.176  -6.764  -7.201
  116    H1*    A  11           H1*        A  11 -10.749  -4.374  -6.940
  117    H8     A  11           H8         A  11 -12.256  -1.357  -5.485
  118   1H6     A  11          1H6         A  11 -10.504  -3.233   0.159
  119   2H6     A  11          2H6         A  11 -11.259  -1.936  -0.745
  120    H2     A  11           H2         A  11  -9.644  -6.530  -2.744
  121   1H5*    G  12          1H5*        G  12 -14.687  -7.542  -7.858
  122   2H5*    G  12          2H5*        G  12 -16.175  -8.257  -7.235
  123    H4*    G  12           H4*        G  12 -14.883 -10.018  -7.058
  124    H3*    G  12           H3*        G  12 -15.140  -8.955  -4.494
  125    H2*    G  12           H2*        G  12 -12.772  -8.509  -4.077
  126   2HO*    G  12          2HO*        G  12 -12.023 -10.219  -3.032
  127    H1*    G  12           H1*        G  12 -12.402 -10.796  -5.950
  128    H8     G  12           H8         G  12 -10.845  -7.188  -5.927
  129    H1     G  12           H1         G  12  -6.759 -12.039  -6.855
  130   1H2     G  12          1H2         G  12  -7.844 -13.942  -6.961
  131   2H2     G  12          2H2         G  12  -9.588 -14.027  -6.848
  132   1H5*    A  13          1H5*        A  13 -17.131 -12.523  -2.314
  133   2H5*    A  13          2H5*        A  13 -17.009 -11.020  -1.390
  134    H4*    A  13           H4*        A  13 -14.900 -12.312  -3.084
  135    H3*    A  13           H3*        A  13 -15.033 -13.239  -0.668
  136    H2*    A  13           H2*        A  13 -15.522 -11.015   0.280
  137   2HO*    A  13          2HO*        A  13 -13.286 -12.234   1.003
  138    H1*    A  13           H1*        A  13 -13.009  -9.809  -0.980
  139    H8     A  13           H8         A  13 -16.256  -9.057  -2.282
  140   1H6     A  13          1H6         A  13 -15.951  -4.263  -1.873
  141   2H6     A  13          2H6         A  13 -14.554  -3.271  -1.513
  142    H2     A  13           H2         A  13 -11.325  -6.028  -0.151
  143   1H5*    G  14          1H5*        G  14 -11.881 -13.407  -3.616
  144   2H5*    G  14          2H5*        G  14 -10.329 -14.244  -3.686
  145    H4*    G  14           H4*        G  14 -10.168 -11.800  -4.021
  146    H3*    G  14           H3*        G  14  -8.679 -13.113  -1.810
  147    H2*    G  14           H2*        G  14  -7.702 -10.970  -1.222
  148   2HO*    G  14          2HO*        G  14  -7.708 -10.318  -3.606
  149    H1*    G  14           H1*        G  14 -10.198  -9.656  -1.282
  150    H8     G  14           H8         G  14 -11.653 -12.308  -0.167
  151    H1     G  14           H1         G  14 -10.088  -8.387   4.102
  152   1H2     G  14          1H2         G  14  -7.900  -7.033   1.766
  153   2H2     G  14          2H2         G  14  -8.495  -6.943   3.410
  154   1H5*    G  15          1H5*        G  15  -5.049 -11.094  -2.828
  155   2H5*    G  15          2H5*        G  15  -3.960 -12.487  -2.939
  156    H4*    G  15           H4*        G  15  -3.162 -11.039  -1.244
  157    H3*    G  15           H3*        G  15  -4.367 -13.540  -0.021
  158    H2*    G  15           H2*        G  15  -3.572 -12.705   2.063
  159   2HO*    G  15          2HO*        G  15  -2.236 -10.731   2.054
  160    H1*    G  15           H1*        G  15  -4.263  -9.994   1.477
  161    H8     G  15           H8         G  15  -7.048 -12.362   0.587
  162    H1     G  15           H1         G  15  -6.898 -10.823   6.807
  163   1H2     G  15          1H2         G  15  -3.928  -9.220   6.033
  164   2H2     G  15          2H2         G  15  -5.097  -9.657   7.262
  165   1H5*    U  16          1H5*        U  16  -0.560 -14.008   1.887
  166   2H5*    U  16          2H5*        U  16  -0.182 -15.704   1.549
  167    H4*    U  16           H4*        U  16  -0.159 -15.396   3.890
  168    H3*    U  16           H3*        U  16  -2.668 -16.907   3.094
  169    H2*    U  16           H2*        U  16  -2.985 -17.205   5.454
  170   2HO*    U  16          2HO*        U  16  -0.581 -17.428   5.815
  171    H1*    U  16           H1*        U  16  -2.321 -14.511   6.034
  172    H3     U  16           H3         U  16  -6.761 -15.047   6.950
  173    H5     U  16           H5         U  16  -6.569 -14.823   2.761
  174    H6     U  16           H6         U  16  -4.180 -14.860   2.943
  175   1H5*    C  17          1H5*        C  17  -1.325 -19.441   6.063
  176   2H5*    C  17          2H5*        C  17  -1.221 -21.039   5.311
  177    H4*    C  17           H4*        C  17  -2.514 -21.384   7.174
  178    H3*    C  17           H3*        C  17  -4.473 -21.074   4.881
  179    H2*    C  17           H2*        C  17  -6.137 -21.696   6.473
  180   2HO*    C  17          2HO*        C  17  -5.445 -23.207   7.842
  181    H1*    C  17           H1*        C  17  -5.000 -20.090   8.539
  182   1H4     C  17          1H4         C  17  -9.458 -17.467   4.347
  183   2H4     C  17          2H4         C  17 -10.248 -17.617   5.903
  184    H5     C  17           H5         C  17  -7.111 -17.980   4.018
  185    H6     C  17           H6         C  17  -5.116 -18.883   5.064
  186   1H5*    G  18          1H5*        G  18  -5.060 -25.059   6.301
  187   2H5*    G  18          2H5*        G  18  -5.597 -26.136   5.006
  188    H4*    G  18           H4*        G  18  -7.123 -25.772   7.026
  189    H3*    G  18           H3*        G  18  -8.269 -25.494   4.231
  190    H2*    G  18           H2*        G  18 -10.357 -25.249   5.311
  191   2HO*    G  18          2HO*        G  18 -10.472 -25.705   7.669
  192    H1*    G  18           H1*        G  18  -9.150 -23.947   7.637
  193    H8     G  18           H8         G  18  -8.438 -21.901   4.642
  194    H1     G  18           H1         G  18 -13.355 -20.720   8.078
  195   1H2     G  18          1H2         G  18 -14.621 -22.553   8.650
  196   2H2     G  18          2H2         G  18 -13.960 -24.139   8.320
  197   1H5*    A  19          1H5*        A  19 -11.056 -30.202   4.469
  198   2H5*    A  19          2H5*        A  19 -12.080 -28.815   4.065
  199    H4*    A  19           H4*        A  19 -13.107 -30.295   5.717
  200    H3*    A  19           H3*        A  19 -12.514 -27.487   6.684
  201    H2*    A  19           H2*        A  19 -13.559 -28.108   8.738
  202   2HO*    A  19          2HO*        A  19 -15.054 -29.625   7.233
  203    H1*    A  19           H1*        A  19 -12.418 -30.696   8.832
  204    H8     A  19           H8         A  19  -9.547 -28.621   7.924
  205   1H6     A  19          1H6         A  19  -7.971 -27.856  12.475
  206   2H6     A  19          2H6         A  19  -8.763 -27.921  14.036
  207    H2     A  19           H2         A  19 -13.025 -29.047  13.305
  208   1H5*    G  20          1H5*        G  20 -16.303 -27.882   7.925
  209   2H5*    G  20          2H5*        G  20 -17.279 -26.475   7.469
  210    H4*    G  20           H4*        G  20 -17.258 -26.842   9.876
  211    H3*    G  20           H3*        G  20 -16.203 -24.261   8.797
  212    H2*    G  20           H2*        G  20 -15.422 -23.590  10.925
  213   2HO*    G  20          2HO*        G  20 -16.971 -23.928  12.375
  214    H1*    G  20           H1*        G  20 -14.767 -26.131  11.944
  215    H8     G  20           H8         G  20 -13.218 -25.638   8.553
  216    H1     G  20           H1         G  20  -9.434 -24.879  13.654
  217   1H2     G  20          1H2         G  20 -10.635 -24.928  15.493
  218   2H2     G  20          2H2         G  20 -12.384 -24.957  15.459
  219   1H5*    A  21          1H5*        A  21 -19.382 -22.966  11.854
  220   2H5*    A  21          2H5*        A  21 -19.665 -21.250  11.540
  221    H4*    A  21           H4*        A  21 -18.501 -22.008  13.701
  222    H3*    A  21           H3*        A  21 -17.506 -19.599  12.155
  223    H2*    A  21           H2*        A  21 -15.792 -19.491  14.065
  224   2HO*    A  21          2HO*        A  21 -17.576 -20.550  15.491
  225    H1*    A  21           H1*        A  21 -15.007 -21.836  13.758
  226    H8     A  21           H8         A  21 -16.246 -21.084  10.260
  227   1H6     A  21          1H6         A  21 -11.634 -21.466   8.360
  228   2H6     A  21          2H6         A  21 -10.138 -21.446   9.233
  229    H2     A  21           H2         A  21 -11.069 -22.314  13.424
  230   1H5*    G  22          1H5*        G  22 -17.614 -15.833  14.180
  231   2H5*    G  22          2H5*        G  22 -16.887 -15.571  12.591
  232    H4*    G  22           H4*        G  22 -16.014 -17.425  14.775
  233    H3*    G  22           H3*        G  22 -14.544 -15.382  13.072
  234    H2*    G  22           H2*        G  22 -12.637 -16.809  13.303
  235   2HO*    G  22          2HO*        G  22 -12.566 -17.185  15.525
  236    H1*    G  22           H1*        G  22 -13.872 -19.184  13.213
  237    H8     G  22           H8         G  22 -15.317 -17.221  10.711
  238    H1     G  22           H1         G  22  -9.290 -18.425   8.965
  239   1H2     G  22          1H2         G  22  -8.804 -19.196  12.287
  240   2H2     G  22          2H2         G  22  -8.135 -19.075  10.670
  241   1H5*    A  23          1H5*        A  23 -11.787 -15.573  16.185
  242   2H5*    A  23          2H5*        A  23 -11.746 -13.931  16.851
  243    H4*    A  23           H4*        A  23  -9.532 -14.457  16.456
  244    H3*    A  23           H3*        A  23 -10.481 -12.764  14.119
  245    H2*    A  23           H2*        A  23  -8.158 -12.784  13.445
  246   2HO*    A  23          2HO*        A  23  -6.786 -12.834  15.103
  247    H1*    A  23           H1*        A  23  -7.907 -15.535  13.813
  248    H8     A  23           H8         A  23 -11.363 -14.691  12.509
  249   1H6     A  23          1H6         A  23 -10.420 -15.136   7.749
  250   2H6     A  23          2H6         A  23  -8.934 -15.208   6.828
  251    H2     A  23           H2         A  23  -5.577 -15.281   9.788
  252   1H5*    C  24          1H5*        C  24  -7.312 -10.106  15.564
  253   2H5*    C  24          2H5*        C  24  -7.969  -8.481  15.307
  254    H4*    C  24           H4*        C  24  -5.876  -8.956  14.085
  255    H3*    C  24           H3*        C  24  -8.260  -8.247  12.343
  256    H2*    C  24           H2*        C  24  -6.598  -8.123  10.567
  257   2HO*    C  24          2HO*        C  24  -4.815  -7.321  11.801
  258    H1*    C  24           H1*        C  24  -5.552 -10.627  11.281
  259   1H4     C  24          1H4         C  24 -11.032 -12.579   8.334
  260   2H4     C  24          2H4         C  24  -9.900 -12.268   7.032
  261    H5     C  24           H5         C  24 -10.593 -11.943  10.627
  262    H6     C  24           H6         C  24  -9.036 -10.869  12.118
  263   1H5*    C  25          1H5*        C  25  -5.350  -5.388  11.408
  264   2H5*    C  25          2H5*        C  25  -6.073  -3.909  10.774
  265    H4*    C  25           H4*        C  25  -4.618  -5.679   9.356
  266    H3*    C  25           H3*        C  25  -5.519  -3.321   8.582
  267    H2*    C  25           H2*        C  25  -7.871  -4.160   8.475
  268   2HO*    C  25          2HO*        C  25  -6.550  -3.881   5.988
  269    H1*    C  25           H1*        C  25  -6.545  -6.372   6.790
  270   1H4     C  25          1H4         C  25 -11.909  -9.795   7.894
  271   2H4     C  25          2H4         C  25 -11.613  -9.820   6.169
  272    H5     C  25           H5         C  25 -10.681  -8.361   9.411
  273    H6     C  25           H6         C  25  -8.889  -6.744   9.597
  274   1H5*    G  26          1H5*        G  26  -5.227  -5.989   5.166
  275   2H5*    G  26          2H5*        G  26  -3.808  -5.625   4.183
  276    H4*    G  26           H4*        G  26  -6.012  -6.608   3.146
  277    H3*    G  26           H3*        G  26  -4.224  -4.569   1.818
  278    H2*    G  26           H2*        G  26  -5.653  -4.663  -0.036
  279   2HO*    G  26          2HO*        G  26  -6.250  -6.683  -0.467
  280    H1*    G  26           H1*        G  26  -8.107  -4.913   1.606
  281    H8     G  26           H8         G  26  -7.098  -2.161   3.288
  282    H1     G  26           H1         G  26  -8.770  -0.597  -2.704
  283   1H2     G  26          1H2         G  26  -7.849  -3.780  -3.524
  284   2H2     G  26          2H2         G  26  -8.372  -2.205  -4.077
  285   1H5*    G  27          1H5*        G  27  -4.486  -8.169  -0.476
  286   2H5*    G  27          2H5*        G  27  -3.159  -8.514  -1.596
  287    H4*    G  27           H4*        G  27  -5.344  -8.229  -2.699
  288    H3*    G  27           H3*        G  27  -3.193  -6.237  -3.485
  289    H2*    G  27           H2*        G  27  -4.792  -5.523  -5.177
  290   2HO*    G  27          2HO*        G  27  -6.607  -6.677  -5.621
  291    H1*    G  27           H1*        G  27  -6.823  -5.224  -3.257
  292    H8     G  27           H8         G  27  -3.923  -4.405  -1.190
  293    H1     G  27           H1         G  27  -5.539   0.391  -5.090
  294   1H2     G  27          1H2         G  27  -6.178  -2.117  -7.387
  295   2H2     G  27          2H2         G  27  -5.978  -0.404  -7.080
  296   1H5*    A  28          1H5*        A  28  -4.000  -7.095  -7.354
  297   2H5*    A  28          2H5*        A  28  -2.448  -7.575  -8.059
  298    H4*    A  28           H4*        A  28  -3.308  -5.704  -9.255
  299    H3*    A  28           H3*        A  28  -0.912  -4.932  -7.562
  300    H2*    A  28           H2*        A  28  -1.053  -2.800  -8.664
  301   2HO*    A  28          2HO*        A  28  -1.898  -3.976 -10.717
  302    H1*    A  28           H1*        A  28  -3.806  -2.586  -8.277
  303    H8     A  28           H8         A  28  -2.075  -4.265  -5.336
  304   1H6     A  28          1H6         A  28  -1.539  -0.273  -2.603
  305   2H6     A  28          2H6         A  28  -1.681   1.438  -2.948
  306    H2     A  28           H2         A  28  -2.656   1.816  -7.298
  307   1H5*    G  29          1H5*        G  29   0.174  -3.655 -11.361
  308   2H5*    G  29          2H5*        G  29   1.912  -3.868 -11.621
  309    H4*    G  29           H4*        G  29   1.112  -1.530 -11.796
  310    H3*    G  29           H3*        G  29   3.242  -2.082  -9.706
  311    H2*    G  29           H2*        G  29   3.257   0.279  -9.353
  312   2HO*    G  29          2HO*        G  29   3.141   1.223 -11.332
  313    H1*    G  29           H1*        G  29   0.444   0.568  -9.578
  314    H8     G  29           H8         G  29   1.621  -2.323  -7.397
  315    H1     G  29           H1         G  29   1.313   3.335  -4.381
  316   1H2     G  29          1H2         G  29   0.818   4.645  -7.541
  317   2H2     G  29          2H2         G  29   0.964   4.948  -5.823
  318   1H5*    A  30          1H5*        A  30   6.903   0.280 -12.115
  319   2H5*    A  30          2H5*        A  30   7.194   0.894 -10.486
  320    H4*    A  30           H4*        A  30   4.848   1.450 -12.279
  321    H3*    A  30           H3*        A  30   6.915   3.252 -10.984
  322    H2*    A  30           H2*        A  30   5.260   4.944 -10.936
  323   2HO*    A  30          2HO*        A  30   4.516   4.155 -13.189
  324    H1*    A  30           H1*        A  30   3.105   3.162 -10.328
  325    H8     A  30           H8         A  30   5.434   2.123  -7.840
  326   1H6     A  30          1H6         A  30   4.115   7.192  -4.524
  327   2H6     A  30          2H6         A  30   5.059   5.718  -4.559
  328    H2     A  30           H2         A  30   2.014   7.496  -8.460
  329   1H5*    U  31          1H5*        U  31   6.304   5.295 -14.937
  330   2H5*    U  31          2H5*        U  31   7.603   6.474 -15.160
  331    H4*    U  31           H4*        U  31   5.280   7.378 -14.695
  332    H3*    U  31           H3*        U  31   7.591   8.298 -12.964
  333    H2*    U  31           H2*        U  31   6.066   9.821 -11.992
  334   2HO*    U  31          2HO*        U  31   4.409  10.535 -13.140
  335    H1*    U  31           H1*        U  31   3.958   7.761 -11.794
  336    H3     U  31           H3         U  31   5.232   8.700  -7.498
  337    H5     U  31           H5         U  31   8.369   6.387  -9.051
  338    H6     U  31           H6         U  31   7.332   6.561 -11.203
  339   1H5*    A  32          1H5*        A  32   5.474  11.778 -14.910
  340   2H5*    A  32          2H5*        A  32   6.501  13.211 -14.778
  341    H4*    A  32           H4*        A  32   4.202  13.283 -13.691
  342    H3*    A  32           H3*        A  32   6.639  14.065 -12.073
  343    H2*    A  32           H2*        A  32   5.154  14.540 -10.310
  344   2HO*    A  32          2HO*        A  32   3.336  15.540 -10.752
  345    H1*    A  32           H1*        A  32   3.200  12.527 -11.137
  346    H8     A  32           H8         A  32   6.865  11.917 -10.003
  347   1H6     A  32          1H6         A  32   4.420  10.589  -4.475
  348   2H6     A  32          2H6         A  32   5.909  10.767  -5.379
  349    H2     A  32           H2         A  32   1.072  11.641  -7.248
  350   1H5*    U  33          1H5*        U  33   3.922  17.502 -11.785
  351   2H5*    U  33          2H5*        U  33   4.929  18.900 -11.388
  352    H4*    U  33           H4*        U  33   3.208  18.280  -9.687
  353    H3*    U  33           H3*        U  33   6.095  18.429  -8.784
  354    H2*    U  33           H2*        U  33   5.240  18.074  -6.570
  355   2HO*    U  33          2HO*        U  33   3.207  19.400  -7.230
  356    H1*    U  33           H1*        U  33   3.434  16.049  -7.388
  357    H3     U  33           H3         U  33   6.494  13.809  -4.908
  358    H5     U  33           H5         U  33   8.533  14.703  -8.464
  359    H6     U  33           H6         U  33   6.680  16.092  -9.086
  360   1H5*    C  34          1H5*        C  34   3.637  20.991  -6.375
  361   2H5*    C  34          2H5*        C  34   4.524  22.439  -5.881
  362    H4*    C  34           H4*        C  34   3.576  21.219  -3.991
  363    H3*    C  34           H3*        C  34   6.605  21.340  -4.018
  364    H2*    C  34           H2*        C  34   6.469  20.373  -1.827
  365   2HO*    C  34          2HO*        C  34   4.610  20.326  -0.654
  366    H1*    C  34           H1*        C  34   4.484  18.505  -2.596
  367   1H4     C  34          1H4         C  34   9.917  15.537  -4.686
  368   2H4     C  34          2H4         C  34   9.691  14.983  -3.042
  369    H5     C  34           H5         C  34   8.753  17.473  -5.589
  370    H6     C  34           H6         C  34   6.927  19.028  -5.218
  371   1H5*    A  35          1H5*        A  35   5.469  22.900  -0.332
  372   2H5*    A  35          2H5*        A  35   6.457  24.312   0.069
  373    H4*    A  35           H4*        A  35   6.606  22.710   1.830
  374    H3*    A  35           H3*        A  35   9.198  22.899   0.269
  375    H2*    A  35           H2*        A  35  10.105  21.461   1.970
  376   2HO*    A  35          2HO*        A  35   8.470  22.582   3.587
  377    H1*    A  35           H1*        A  35   7.899  19.724   1.927
  378    H8     A  35           H8         A  35   8.864  21.011  -1.522
  379   1H6     A  35          1H6         A  35  11.817  17.358  -2.782
  380   2H6     A  35          2H6         A  35  12.667  16.137  -1.858
  381    H2     A  35           H2         A  35  11.386  16.613   2.406
  382   1H5*    C  36          1H5*        C  36  10.064  23.695   4.305
  383   2H5*    C  36          2H5*        C  36  11.343  24.905   4.471
  384    H4*    C  36           H4*        C  36  11.880  22.854   5.628
  385    H3*    C  36           H3*        C  36  13.735  23.379   3.283
  386    H2*    C  36           H2*        C  36  15.031  21.562   4.258
  387   2HO*    C  36          2HO*        C  36  14.075  22.270   6.521
  388    H1*    C  36           H1*        C  36  12.784  19.940   4.449
  389   1H4     C  36          1H4         C  36  14.069  19.845  -2.004
  390   2H4     C  36          2H4         C  36  15.057  18.573  -1.314
  391    H5     C  36           H5         C  36  12.953  21.512  -0.641
  392    H6     C  36           H6         C  36  12.462  22.209   1.630
  393   1H5*    C  37          1H5*        C  37  16.270  22.997   6.344
  394   2H5*    C  37          2H5*        C  37  17.496  24.273   6.367
  395    H4*    C  37           H4*        C  37  18.484  22.065   6.389
  396    H3*    C  37           H3*        C  37  19.082  23.593   3.832
  397    H2*    C  37           H2*        C  37  20.644  21.795   3.420
  398   2HO*    C  37          2HO*        C  37  20.347  21.433   6.151
  399    H1*    C  37           H1*        C  37  18.754  19.832   4.139
  400   1H4     C  37          1H4         C  37  16.723  21.137  -1.918
  401   2H4     C  37          2H4         C  37  17.940  19.889  -2.090
  402    H5     C  37           H5         C  37  16.437  22.402   0.137
  403    H6     C  37           H6         C  37  17.156  22.621   2.445
  404   1H5*    C  38          1H5*        C  38  22.778  22.653   4.945
  405   2H5*    C  38          2H5*        C  38  23.807  24.092   4.947
  406    H4*    C  38           H4*        C  38  24.857  22.495   3.596
  407    H3*    C  38           H3*        C  38  23.575  24.564   1.789
  408    H2*    C  38           H2*        C  38  24.704  23.454   0.013
  409   2HO*    C  38          2HO*        C  38  26.594  23.029   1.675
  410    H1*    C  38           H1*        C  38  24.173  20.854   1.086
  411   1H4     C  38          1H4         C  38  19.136  22.814  -2.783
  412   2H4     C  38          2H4         C  38  20.066  21.655  -3.711
  413    H5     C  38           H5         C  38  19.848  23.615  -0.602
  414    H6     C  38           H6         C  38  21.569  23.454   1.104
  415    H3T    C  38           H3T        C  38  25.105  25.320   3.225