*HEADER    RNA                                     29-SEP-03   1R2P              
*TITLE     SOLUTION STRUCTURE OF DOMAIN 5 FROM THE AI5(GAMMA) GROUP II           
*TITLE    2 INTRON                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 34-MER;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DOMAIN 5 OF THE AI5(GAMMA) GROUP II INTRON;                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN SACCHAROMYCES            
*SOURCE   4 CEREVISIAE (BAKER'S YEAST) AND WAS SYNTHESIZED IN VITRO              
*SOURCE   5 USING T7 RNA POLYMERASE AND SYNTHETIC DNA OLIGONUCLEOTIDES.          
*KEYWDS    RNA HAIRPIN, TETRALOOP, BULGE, METAL ION, MAGNESIUM                   
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    R.K.O.SIGEL, D.G.SASHITAL, D.L.ABRAMOVITZ, A.G.PALMER III,            
*AUTHOR   2 S.E.BUTCHER, A.M.PYLE                                                
*REVDAT   1   03-FEB-04 1R2P    0                                                

! File name 1R2P_rdc.cns
! NMR structure of D5 of the group II intron ai5gamma
! PDB entry 1R2P
! BMRB entry 5962
! Authors: R.K.O.SIGEL,D.S.SASHITAL,D.L.ABRAMOVITZ,S.E.BUTCHER, A.G.PALMER,A.M.PYLE
! RDC restraints 


assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  2   and name C2  )
       ( resid  2   and name H2  )    28.500  1.2000


assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  4   and name C6  )
       ( resid  4   and name H6  )     5.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  7   and name C6  )
       ( resid  7   and name H6  )    42.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  8   and name C2  )
       ( resid  8   and name H2  )    24.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  8   and name C8  )
       ( resid  8   and name H8  )    34.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  10  and name C8  )
       ( resid  10  and name H8  )    15.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  12  and name C8  )
       ( resid  12  and name H8  )    33.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  13  and name C2  )
       ( resid  13  and name H2  )    36.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  13  and name C8  )
       ( resid  13  and name H8  )    43.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  15  and name C8  )
       ( resid  15  and name H8  )    -2.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  16  and name C2  )
       ( resid  16  and name H2  )    22.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  16  and name C8  )
       ( resid  16  and name H8  )    14.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  17  and name C2  )
       ( resid  17  and name H2  )    16.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  17  and name C8  )
       ( resid  17  and name H8  )    19.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  18  and name C2  )
       ( resid  18  and name H2  )    8.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  19  and name C8  )
       ( resid  19  and name H8  )    16.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  21  and name C6  )
       ( resid  21  and name H6  )    35.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  22  and name C8  )
       ( resid  22  and name H8  )    34.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  24  and name C2  )
       ( resid  24  and name H2  )    26.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  28  and name C2  )
       ( resid  28  and name H2  )    32.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  28  and name C8  )
       ( resid  28  and name H8  )    36.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  30  and name C8  )
       ( resid  30  and name H8  )    23.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  32  and name C6  )
       ( resid  32  and name H6  )     4.000  1.2000

assign ( resid  35  and name OO  )
       ( resid  35  and name Z   )
       ( resid  35  and name X   )
       ( resid  35  and name Y   )
       ( resid  33  and name C6  )
       ( resid  33  and name H6  )    23.000  1.2000



! File name 1R2P_noeD2O.cns
! NMR structure of D5 of the group II intron ai5gamma
! PDB entry 1R2P
! BMRB entry 5962
! Authors: R.K.O.SIGEL,D.S.SASHITAL,D.L.ABRAMOVITZ,S.E.BUTCHER, A.G.PALMER,A.M.PYLE
! NOE restraints based on D5 samples in D2O


!assi (resi   1 and name  H1') (resi   1 and name  H2')  2.80  0.40  0.40
!assi (resi   1 and name  H1') (resi   1 and name  H3')  3.90  0.40  0.40
!assi (resi   1 and name  H1') (resi   1 and name  H4')  3.00  0.40  0.40
!assi (resi   1 and name  H1') (resi   1 and name H5'')  5.00  2.00  1.00
assi (resi   1 and name  H1') (resi   1 and name   H8)  3.80  2.00  0.70
assi (resi   1 and name  H2') (resi   1 and name   H8)  4.20  2.00  0.70
assi (resi   1 and name  H3') (resi   1 and name   H8)  3.50  0.70  0.50
assi (resi   1 and name  H4') (resi   1 and name   H8)  5.00  2.00  1.00
assi (resi   1 and name  H1') (resi   2 and name  H1')  6.00  2.00  1.00
assi (resi   1 and name  H1') (resi   2 and name   H8)  5.00  2.00  1.00
assi (resi   1 and name  H2') (resi   2 and name   H8)  2.50  0.70  0.50
assi (resi   1 and name  H3') (resi   2 and name   H8)  3.80  2.00  0.70
assi (resi   1 and name   H8) (resi   2 and name   H8)  5.00  2.00  1.00
!assi (resi   2 and name  H1') (resi   2 and name  H2')  2.80  0.40  0.40
!assi (resi   2 and name  H1') (resi   2 and name  H3')  3.90  0.40  0.40
!assi (resi   2 and name  H1') (resi   2 and name  H4')  3.00  0.40  0.40
!assi (resi   2 and name  H1') (resi   2 and name  H5')  5.00  2.00  1.00
assi (resi   2 and name  H1') (resi   2 and name   H2)  5.00  2.00  1.00
assi (resi   2 and name  H1') (resi   2 and name   H8)  3.80  2.00  0.70
assi (resi   2 and name  H2') (resi   2 and name   H8)  4.20  2.00  0.70
assi (resi   2 and name  H3') (resi   2 and name   H8)  3.50  0.70  0.50
assi (resi   2 and name  H4') (resi   2 and name   H8)  5.00  2.00  1.00
assi (resi   2 and name   H2) (resi   2 and name  H2')  6.00  2.00  1.00
assi (resi   2 and name  H1') (resi   3 and name  H1')  6.00  2.00  1.00
assi (resi   2 and name  H1') (resi   3 and name   H8)  5.00  2.00  1.00
assi (resi   2 and name  H2') (resi   3 and name  H1')  3.80  2.00  0.70
assi (resi   2 and name  H2') (resi   3 and name   H8)  2.50  0.70  0.50
assi (resi   2 and name  H3') (resi   3 and name   H8)  3.80  2.00  0.70
assi (resi   2 and name  H4') (resi   3 and name   H8)  6.00  2.00  1.00
assi (resi   2 and name   H2) (resi   3 and name  H1')  3.80  2.00  0.70
assi (resi   2 and name   H2) (resi   3 and name  H2')  6.00  2.00  1.00
assi (resi   2 and name   H2) (resi   3 and name   H8)  5.00  2.00  1.00
assi (resi   2 and name   H8) (resi   3 and name   H8)  5.00  2.00  1.00
assi (resi   2 and name   H2) (resi  34 and name  H1')  3.80  2.00  0.70
assi (resi   2 and name   H2) (resi  34 and name  H2')  6.00  2.00  1.00
!assi (resi   3 and name  H1') (resi   3 and name  H2')  2.80  0.40  0.40
!assi (resi   3 and name  H1') (resi   3 and name  H3')  3.90  0.40  0.40
!assi (resi   3 and name  H1') (resi   3 and name  H4')  3.00  0.40  0.40
!assi (resi   3 and name  H1') (resi   3 and name  H5')  5.00  2.00  1.00
!assi (resi   3 and name  H1') (resi   3 and name H5'')  5.00  2.00  1.00
assi (resi   3 and name  H1') (resi   3 and name   H8)  3.80  2.00  0.70
assi (resi   3 and name  H2') (resi   3 and name   H8)  4.20  2.00  0.70
assi (resi   3 and name  H3') (resi   3 and name   H8)  3.80  2.00  0.70
assi (resi   3 and name  H4') (resi   3 and name   H8)  5.00  2.00  1.00
assi (resi   3 and name  H1') (resi   4 and name  H1')  6.00  2.00  1.00
assi (resi   3 and name  H1') (resi   4 and name   H5)  6.00  2.00  1.00
assi (resi   3 and name  H1') (resi   4 and name   H6)  5.00  2.00  1.00
assi (resi   3 and name  H2') (resi   4 and name   H5)  3.80  2.00  0.70
assi (resi   3 and name  H2') (resi   4 and name   H6)  2.50  0.70  0.50
assi (resi   3 and name  H3') (resi   4 and name   H5)  3.80  2.00  0.70
assi (resi   3 and name  H3') (resi   4 and name   H6)  3.80  2.00  0.70
assi (resi   3 and name   H8) (resi   4 and name   H5)  4.00  2.00  0.70
assi (resi   3 and name   H8) (resi   4 and name   H6)  5.00  2.00  1.00
!assi (resi   4 and name  H1') (resi   4 and name  H2')  2.80  0.40  0.40
!assi (resi   4 and name  H1') (resi   4 and name  H3')  3.90  0.40  0.40
!assi (resi   4 and name   H5) (resi   4 and name   H6)  2.15  0.35  0.35
assi (resi   4 and name  H1') (resi   4 and name   H5)  5.00  2.00  1.00
assi (resi   4 and name  H1') (resi   4 and name   H6)  3.80  2.00  0.70
assi (resi   4 and name  H2') (resi   4 and name   H5)  5.00  2.00  1.00
assi (resi   4 and name  H2') (resi   4 and name   H6)  4.20  2.00  0.70
assi (resi   4 and name  H3') (resi   4 and name   H5)  5.00  2.00  1.00
assi (resi   4 and name  H3') (resi   4 and name   H6)  3.50  0.70  0.50
assi (resi   4 and name  H1') (resi   5 and name   H6)  5.00  2.00  1.00
assi (resi   4 and name  H2') (resi   5 and name   H5)  3.80  2.00  0.70
assi (resi   4 and name  H2') (resi   5 and name   H6)  2.50  0.70  0.50
assi (resi   4 and name  H3') (resi   5 and name   H5)  3.80  2.00  0.70
assi (resi   4 and name  H3') (resi   5 and name   H6)  3.80  2.00  0.70
assi (resi   4 and name   H5) (resi   5 and name   H5)  3.80  2.00  0.70
!assi (resi   5 and name  H1') (resi   5 and name  H2')  2.81  0.40  0.40
!assi (resi   5 and name  H1') (resi   5 and name  H3')  3.90  0.40  0.40
!assi (resi   5 and name   H5) (resi   5 and name   H6)  2.15  0.35  0.35
assi (resi   5 and name  H1') (resi   5 and name   H6)  3.80  2.00  0.70
assi (resi   5 and name  H2') (resi   5 and name   H5)  5.50  2.00  0.70
assi (resi   5 and name  H2') (resi   5 and name   H6)  4.20  2.00  0.70
assi (resi   5 and name  H3') (resi   5 and name   H5)  5.00  2.00  0.70
assi (resi   5 and name  H3') (resi   5 and name   H6)  3.50  0.70  0.50
assi (resi   5 and name  H1') (resi   6 and name  H1')  6.00  2.00  1.00
assi (resi   5 and name  H1') (resi   6 and name   H8)  5.00  2.00  1.00
assi (resi   5 and name  H2') (resi   6 and name   H8)  2.50  0.70  0.50
assi (resi   5 and name  H2') (resi   6 and name  H1')  4.50  2.00  0.70
assi (resi   5 and name  H3') (resi   6 and name   H8)  3.80  2.00  0.70
assi (resi   5 and name   H6) (resi   6 and name   H8)  5.00  2.00  1.00
!assi (resi   6 and name  H1') (resi   6 and name  H2')  2.80  0.40  0.40
!assi (resi   6 and name  H1') (resi   6 and name  H3')  3.90  0.40  0.40
!assi (resi   6 and name  H1') (resi   6 and name H5'')  5.00  2.00  1.00
assi (resi   6 and name  H1') (resi   6 and name   H8)  3.80  2.00  0.70
assi (resi   6 and name  H2') (resi   6 and name   H8)  4.40  2.00  0.70
assi (resi   6 and name  H3') (resi   6 and name   H8)  3.50  0.70  0.50
assi (resi   6 and name  H1') (resi   7 and name  H1')  6.00  2.00  1.00
assi (resi   6 and name  H1') (resi   7 and name   H5)  6.00  2.00  1.00
assi (resi   6 and name  H1') (resi   7 and name   H6)  5.00  2.00  1.00
assi (resi   6 and name  H2') (resi   7 and name   H5)  3.80  2.00  0.70
assi (resi   6 and name  H2') (resi   7 and name   H6)  2.50  0.70  0.50
assi (resi   6 and name  H3') (resi   7 and name   H5)  3.80  2.00  0.70
assi (resi   6 and name  H3') (resi   7 and name   H6)  3.80  2.00  0.70
assi (resi   6 and name   H8) (resi   7 and name   H5)  3.80  2.00  0.70
assi (resi   6 and name   H8) (resi   7 and name   H6)  5.00  2.00  0.70
!assi (resi   7 and name  H1') (resi   7 and name  H2')  2.80  0.40  0.40
!assi (resi   7 and name  H1') (resi   7 and name  H3')  3.90  0.40  0.40
!assi (resi   7 and name  H1') (resi   7 and name  H4')  3.00  0.40  0.40
!assi (resi   7 and name  H1') (resi   7 and name H5'')  5.00  3.20  1.00
!assi (resi   7 and name   H5) (resi   7 and name   H6)  2.15  0.35  0.35
assi (resi   7 and name  H1') (resi   7 and name   H5)  5.00  2.00  1.00
assi (resi   7 and name  H1') (resi   7 and name   H6)  3.80  2.00  0.70
assi (resi   7 and name  H2') (resi   7 and name   H5)  5.00  2.00  1.00
assi (resi   7 and name  H2') (resi   7 and name   H6)  4.20  2.00  0.70
assi (resi   7 and name  H3') (resi   7 and name   H5)  5.00  2.00  1.00
assi (resi   7 and name  H3') (resi   7 and name   H6)  3.50  0.70  0.50
assi (resi   7 and name  H1') (resi   8 and name  H1')  6.00  2.00  1.00
assi (resi   7 and name  H1') (resi   8 and name   H8)  4.50  2.00  0.70
assi (resi   7 and name  H2') (resi   8 and name   H8)  2.50  0.70  0.50
assi (resi   7 and name  H3') (resi   8 and name   H8)  3.80  2.00  0.70
assi (resi   7 and name   H5) (resi   8 and name   H8)  5.00  2.00  1.00
assi (resi   7 and name   H6) (resi   8 and name   H8)  6.00  2.00  1.00
assi (resi   7 and name  H1') (resi  28 and name   H2)  3.80  2.00  0.70
!assi (resi   8 and name  H1') (resi   8 and name  H2')  2.80  0.40  0.40
!assi (resi   8 and name  H1') (resi   8 and name  H3')  3.90  0.40  0.40
!assi (resi   8 and name  H1') (resi   8 and name  H4')  3.00  0.40  0.40
!assi (resi   8 and name  H1') (resi   8 and name  H5')  5.00  2.00  1.00
!assi (resi   8 and name  H1') (resi   8 and name H5'')  5.00  2.00  1.00
assi (resi   8 and name  H1') (resi   8 and name   H2)  5.00  2.00  1.00
assi (resi   8 and name  H1') (resi   8 and name   H8)  3.80  2.00  0.70
assi (resi   8 and name  H2') (resi   8 and name   H8)  4.20  2.00  0.70
assi (resi   8 and name  H3') (resi   8 and name   H8)  3.50  0.70  0.50
assi (resi   8 and name  H4') (resi   8 and name   H8)  5.00  2.00  1.00
assi (resi   8 and name  H1') (resi   9 and name  H1')  6.00  2.00  1.00
assi (resi   8 and name  H1') (resi   9 and name   H5)  6.00  2.00  1.00
assi (resi   8 and name  H1') (resi   9 and name   H6)  5.00  2.00  1.00
assi (resi   8 and name  H2') (resi   9 and name   H5)  3.80  2.00  0.70
assi (resi   8 and name  H2') (resi   9 and name   H6)  2.50  0.70  0.50
assi (resi   8 and name  H3') (resi   9 and name   H5)  3.80  2.00  0.70
assi (resi   8 and name  H3') (resi   9 and name   H6)  3.80  2.00  0.70
assi (resi   8 and name   H2) (resi   9 and name  H1')  3.80  2.00  0.70
assi (resi   8 and name   H8) (resi   9 and name   H5)  3.80  2.00  0.70
assi (resi   8 and name   H8) (resi   9 and name   H6)  3.80  2.00  0.70
assi (resi   8 and name   H2) (resi  27 and name  H1')  6.00  2.00  1.00
assi (resi   8 and name  H1') (resi  28 and name   H2)  3.80  2.00  0.70
assi (resi   8 and name   H2) (resi  28 and name  H1')  3.80  2.00  0.70
assi (resi   8 and name   H2) (resi  28 and name  H2')  6.00  2.00  1.00
assi (resi   8 and name   H2) (resi  28 and name   H2)  5.00  2.00  1.00
assi (resi   8 and name   H2) (resi  28 and name   H8)  5.00  2.00  1.00
!assi (resi   9 and name  H1') (resi   9 and name  H2')  2.81  0.40  0.40
!assi (resi   9 and name  H1') (resi   9 and name  H3')  3.90  0.40  0.40
!assi (resi   9 and name   H5) (resi   9 and name   H6)  2.15  0.35  0.35
assi (resi   9 and name  H1') (resi   9 and name   H5)  5.00  2.00  1.00
assi (resi   9 and name  H1') (resi   9 and name   H6)  3.80  2.00  0.70
assi (resi   9 and name  H2') (resi   9 and name   H5)  5.00  2.00  1.00
assi (resi   9 and name  H2') (resi   9 and name   H6)  4.20  2.00  0.70
assi (resi   9 and name  H3') (resi   9 and name   H5)  5.00  2.00  1.00
assi (resi   9 and name  H3') (resi   9 and name   H6)  3.50  0.70  0.50
assi (resi   9 and name  H1') (resi  10 and name  H1')  6.00  2.00  1.00
assi (resi   9 and name  H1') (resi  10 and name   H8)  5.00  2.00  1.00
assi (resi   9 and name  H2') (resi  10 and name   H8)  3.50  0.70  0.50
assi (resi   9 and name  H2') (resi  10 and name  H1')  4.40  2.00  0.70
assi (resi   9 and name  H3') (resi  10 and name   H8)  3.80  2.00  0.70
assi (resi   9 and name   H6) (resi  10 and name   H8)  5.00  2.00  1.00
!assi (resi  10 and name  H1') (resi  10 and name  H2')  2.80  0.40  0.40
!assi (resi  10 and name  H1') (resi  10 and name  H3')  3.90  0.40  0.40
assi (resi  10 and name  H1') (resi  10 and name   H8)  3.80  2.00  0.70
assi (resi  10 and name  H2') (resi  10 and name   H8)  4.20  2.00  0.70
assi (resi  10 and name  H3') (resi  10 and name   H8)  3.50  0.70  0.50
assi (resi  10 and name  H1') (resi  11 and name   H5)  5.00  2.00  1.00
assi (resi  10 and name  H1') (resi  11 and name   H6)  5.00  2.00  1.00
assi (resi  10 and name  H2') (resi  11 and name   H5)  3.80  2.00  0.70
assi (resi  10 and name  H2') (resi  11 and name   H6)  2.50  0.70  0.50
assi (resi  10 and name  H3') (resi  11 and name   H6)  3.80  2.00  0.70
assi (resi  10 and name  H2') (resi  11 and name  H1')  4.50  2.00  0.70
assi (resi  10 and name   H8) (resi  11 and name   H5)  4.00  2.20  0.70
assi (resi  10 and name   H8) (resi  11 and name   H6)  5.00  3.00  1.00
assi (resi  10 and name  H1') (resi  24 and name   H2)  4.50  3.00  0.90
!assi (resi  11 and name  H1') (resi  11 and name  H2')  2.80  0.40  0.40
!assi (resi  11 and name  H1') (resi  11 and name  H3')  3.90  0.40  0.40
!assi (resi  11 and name  H1') (resi  11 and name  H5')  5.00  2.00  1.00
!assi (resi  11 and name  H1') (resi  11 and name H5'')  5.00  2.00  1.00
!assi (resi  11 and name   H5) (resi  11 and name   H6)  2.15  0.35  0.35
assi (resi  11 and name  H1') (resi  11 and name   H5)  5.00  2.00  1.00
assi (resi  11 and name  H1') (resi  11 and name   H6)  3.80  2.00  0.70
assi (resi  11 and name  H2') (resi  11 and name   H5)  5.00  2.00  1.00
assi (resi  11 and name  H2') (resi  11 and name   H6)  4.20  2.00  0.70
assi (resi  11 and name  H3') (resi  11 and name   H5)  5.00  2.00  1.00
assi (resi  11 and name  H3') (resi  11 and name   H6)  3.50  0.70  0.50
assi (resi  11 and name  H1') (resi  12 and name  H1')  6.00  2.00  1.00
assi (resi  11 and name  H1') (resi  12 and name   H8)  5.00  2.00  1.00
assi (resi  11 and name  H2') (resi  12 and name   H8)  2.50  0.70  0.50
assi (resi  11 and name  H3') (resi  12 and name   H8)  3.80  2.00  0.70
assi (resi  11 and name   H6) (resi  12 and name   H8)  5.00  2.00  1.00
!assi (resi  12 and name  H1') (resi  12 and name  H2')  2.80  0.40  0.40
!assi (resi  12 and name  H1') (resi  12 and name  H3')  3.90  0.40  0.40
!assi (resi  12 and name  H1') (resi  12 and name  H5')  5.00  2.00  1.00
!assi (resi  12 and name  H1') (resi  12 and name H5'')  5.00  2.00  1.00
assi (resi  12 and name  H1') (resi  12 and name   H8)  3.80  2.00  0.70
assi (resi  12 and name  H2') (resi  12 and name   H8)  5.00  2.00  1.00
assi (resi  12 and name  H3') (resi  12 and name   H8)  3.50  0.70  0.50
assi (resi  12 and name  H1') (resi  13 and name  H1')  5.00  2.00  1.00
assi (resi  12 and name  H1') (resi  13 and name   H8)  5.00  2.00  1.00
assi (resi  12 and name  H2') (resi  13 and name  H1')  3.80  2.00  0.70
assi (resi  12 and name  H2') (resi  13 and name   H8)  2.50  0.70  0.50
assi (resi  12 and name  H3') (resi  13 and name   H8)  3.80  2.00  0.70
assi (resi  12 and name   H8) (resi  13 and name   H8)  5.00  2.00  1.00
!assi (resi  13 and name  H1') (resi  13 and name  H2')  2.80  0.40  0.40
!assi (resi  13 and name  H1') (resi  13 and name  H3')  3.90  0.40  0.40
!assi (resi  13 and name  H1') (resi  13 and name  H4')  3.00  0.40  0.40
!assi (resi  13 and name  H1') (resi  13 and name  H5')  5.00  2.00  1.00
!assi (resi  13 and name  H1') (resi  13 and name H5'')  5.00  2.00  1.00
assi (resi  13 and name  H1') (resi  13 and name   H2)  5.00  2.00  1.00
assi (resi  13 and name  H1') (resi  13 and name   H8)  3.80  2.00  0.70
assi (resi  13 and name  H2') (resi  13 and name   H8)  3.80  2.00  0.70
assi (resi  13 and name  H3') (resi  13 and name   H8)  3.50  0.70  0.50
assi (resi  13 and name  H4') (resi  13 and name   H8)  5.00  2.00  1.00
assi (resi  13 and name  H1') (resi  14 and name  H1')  6.00  2.00  1.00
assi (resi  13 and name  H1') (resi  14 and name   H5)  6.00  3.00  1.00
assi (resi  13 and name  H1') (resi  14 and name   H6)  5.00  2.00  1.00
assi (resi  13 and name  H2') (resi  14 and name  H1')  4.50  2.00  0.70
assi (resi  13 and name  H2') (resi  14 and name   H5)  3.80  2.00  0.70
assi (resi  13 and name  H2') (resi  14 and name   H6)  2.50  0.70  0.50
assi (resi  13 and name  H3') (resi  14 and name   H5)  3.80  2.00  0.70
assi (resi  13 and name  H3') (resi  14 and name   H6)  3.80  2.00  0.70
assi (resi  13 and name   H2) (resi  14 and name  H1')  3.80  2.00  0.70
assi (resi  13 and name   H8) (resi  14 and name   H5)  3.80  2.00  0.70
assi (resi  13 and name   H8) (resi  14 and name   H6)  3.80  2.00  0.70
assi (resi  13 and name   H2) (resi  14 and name   H6)  5.00  2.00  1.00
assi (resi  13 and name   H2) (resi  21 and name  H1')  5.00  2.00  0.70
!assi (resi  14 and name  H1') (resi  14 and name  H2')  2.80  0.40  0.40
!assi (resi  14 and name  H1') (resi  14 and name  H3')  4.00  0.40  0.40
!assi (resi  14 and name  H1') (resi  14 and name  H4')  3.00  0.40  0.40
!assi (resi  14 and name  H1') (resi  14 and name  H5')  5.00  2.00  1.00
!assi (resi  14 and name  H1') (resi  14 and name H5'')  5.00  2.00  1.00
!assi (resi  14 and name   H5) (resi  14 and name   H6)  2.15  0.35  0.35
assi (resi  14 and name  H1') (resi  14 and name   H5)  5.00  2.00  1.00
assi (resi  14 and name  H1') (resi  14 and name   H6)  3.80  2.00  0.70
assi (resi  14 and name  H2') (resi  14 and name   H5)  5.00  2.00  1.00
assi (resi  14 and name  H2') (resi  14 and name   H6)  4.40  2.00  0.70
assi (resi  14 and name  H3') (resi  14 and name   H5)  5.00  2.00  1.00
assi (resi  14 and name  H3') (resi  14 and name   H6)  3.50  0.70  0.50
assi (resi  14 and name  H4') (resi  14 and name   H5)  6.00  2.00  1.00
assi (resi  14 and name  H4') (resi  14 and name   H6)  5.00  2.00  1.00
assi (resi  14 and name H5'') (resi  14 and name   H6)  3.80  2.00  0.70
assi (resi  14 and name  H1') (resi  15 and name  H1')  6.00  2.00  1.00
assi (resi  14 and name  H1') (resi  15 and name   H8)  5.00  2.00  1.00
assi (resi  14 and name  H2') (resi  15 and name  H1')  3.80  2.00  0.70
assi (resi  14 and name  H2') (resi  15 and name   H8)  2.50  0.70  0.50
assi (resi  14 and name  H3') (resi  15 and name   H8)  3.80  2.00  0.70
assi (resi  14 and name   H5) (resi  15 and name   H8)  3.80  2.00  0.70
assi (resi  14 and name   H6) (resi  15 and name   H8)  3.80  2.00  0.70
!assi (resi  15 and name  H1') (resi  15 and name  H2')  2.80  0.40  0.40
!assi (resi  15 and name  H1') (resi  15 and name  H3')  3.90  0.40  0.40
assi (resi  15 and name  H1') (resi  15 and name   H8)  3.80  2.00  0.70
assi (resi  15 and name  H2') (resi  15 and name   H8)  4.40  2.00  0.70
assi (resi  15 and name  H3') (resi  15 and name   H8)  3.80  2.00  0.70
assi (resi  15 and name  H1') (resi  16 and name   H8)  5.00  2.00  1.00
assi (resi  15 and name  H2') (resi  16 and name   H8)  5.00  2.00  1.00
assi (resi  15 and name  H3') (resi  16 and name   H8)  5.00  2.00  1.00
assi (resi  15 and name   H8) (resi  16 and name   H8)  6.00  2.00  2.00
assi (resi  15 and name  H1') (resi  17 and name   H8)  3.80  2.00  0.70
assi (resi  15 and name  H2') (resi  17 and name   H8)  3.80  2.00  0.70
assi (resi  15 and name  H3') (resi  17 and name   H8)  5.00  2.00  1.00
!assi (resi  16 and name  H1') (resi  16 and name  H2')  2.80  0.40  0.40
!assi (resi  16 and name  H1') (resi  16 and name  H3')  3.90  0.40  0.40
!assi (resi  16 and name  H1') (resi  16 and name  H4')  3.00  0.40  0.40
!assi (resi  16 and name  H1') (resi  16 and name  H5')  5.00  2.00  1.00
!assi (resi  16 and name  H1') (resi  16 and name H5'')  5.00  2.00  1.00
assi (resi  16 and name  H1') (resi  16 and name   H8)  3.80  2.00  0.70
assi (resi  16 and name  H2') (resi  16 and name   H8)  4.40  2.00  0.70
assi (resi  16 and name  H3') (resi  16 and name   H8)  3.80  2.00  0.70
assi (resi  16 and name  H4') (resi  16 and name   H8)  5.00  2.00  1.00
assi (resi  16 and name  H5') (resi  16 and name   H8)  3.80  2.00  0.70
assi (resi  16 and name  H1') (resi  17 and name  H1')  5.00  2.00  1.00
assi (resi  16 and name  H1') (resi  17 and name   H8)  6.00  2.00  1.00
assi (resi  16 and name  H2') (resi  17 and name  H1')  4.00  0.70  0.50
assi (resi  16 and name  H2') (resi  17 and name   H8)  2.50  0.70  0.50
assi (resi  16 and name  H3') (resi  17 and name   H8)  3.80  2.00  0.70
assi (resi  16 and name  H4') (resi  17 and name   H8)  5.00  2.00  1.00
assi (resi  16 and name  H5') (resi  17 and name   H8)  5.00  2.00  1.00
assi (resi  16 and name   H2) (resi  17 and name  H1')  3.80  2.00  0.70
assi (resi  16 and name   H8) (resi  17 and name   H2)  6.00  2.00  1.00
assi (resi  16 and name   H8) (resi  17 and name   H8)  5.00  2.00  1.00
!assi (resi  17 and name  H1') (resi  17 and name  H2')  2.80  0.40  0.40
!assi (resi  17 and name  H1') (resi  17 and name  H3')  3.90  0.40  0.40
!assi (resi  17 and name  H1') (resi  17 and name  H4')  3.00  0.40  0.40
!assi (resi  17 and name  H1') (resi  17 and name H5'')  5.00  2.00  1.00
assi (resi  17 and name  H1') (resi  17 and name   H8)  3.80  2.00  0.70
assi (resi  17 and name  H2') (resi  17 and name   H8)  4.40  2.00  0.70
assi (resi  17 and name  H3') (resi  17 and name   H8)  3.80  2.00  0.70
assi (resi  17 and name  H4') (resi  17 and name   H8)  5.00  2.00  1.00
assi (resi  17 and name H5'') (resi  17 and name   H8)  3.80  2.00  1.00
assi (resi  17 and name  H1') (resi  18 and name  H1')  5.00  2.00  1.00
assi (resi  17 and name  H1') (resi  18 and name   H2)  6.00  2.00  1.00
assi (resi  17 and name  H1') (resi  18 and name   H8)  5.00  2.00  1.00
assi (resi  17 and name  H2') (resi  18 and name  H1')  3.80  2.00  0.70
assi (resi  17 and name  H2') (resi  18 and name  H3')  5.00  2.00  1.00
assi (resi  17 and name  H2') (resi  18 and name   H8)  2.50  0.70  0.50
assi (resi  17 and name  H3') (resi  18 and name   H8)  3.80  2.00  0.70
assi (resi  17 and name  H4') (resi  18 and name   H8)  5.00  2.00  1.00
assi (resi  17 and name  H5') (resi  18 and name   H8)  5.00  2.00  1.00
assi (resi  17 and name   H2) (resi  18 and name  H1')  3.80  2.00  0.70
assi (resi  17 and name   H2) (resi  18 and name   H2)  3.80  2.00  0.70
assi (resi  17 and name   H8) (resi  18 and name   H8)  5.00  2.00  1.00
assi (resi  17 and name  H2') (resi  19 and name   H8)  6.00  2.00  1.00
!assi (resi  18 and name  H1') (resi  18 and name  H2')  2.80  0.40  0.40
!assi (resi  18 and name  H1') (resi  18 and name  H3')  3.90  0.40  0.40
!assi (resi  18 and name  H1') (resi  18 and name  H4')  3.00  0.40  0.40
!assi (resi  18 and name  H1') (resi  18 and name H5'')  5.00  2.00  1.00
!assi (resi  18 and name  H2') (resi  18 and name  H3')  2.50  0.40  0.40
!assi (resi  18 and name  H3') (resi  18 and name  H4')  3.00  0.40  0.40
!assi (resi  18 and name  H3') (resi  18 and name  H5')  3.00  1.20  1.00
!assi (resi  18 and name  H3') (resi  18 and name H5'')  3.00  1.20  1.00
assi (resi  18 and name  H1') (resi  18 and name   H2)  6.00  2.00  1.00
assi (resi  18 and name  H1') (resi  18 and name   H8)  3.80  2.00  0.70
assi (resi  18 and name  H2') (resi  18 and name   H8)  4.40  2.00  0.70
assi (resi  18 and name  H3') (resi  18 and name   H8)  3.50  0.70  0.50
assi (resi  18 and name  H4') (resi  18 and name   H8)  5.00  2.00  1.00
assi (resi  18 and name  H1') (resi  19 and name   H8)  5.00  2.00  1.00
assi (resi  18 and name  H2') (resi  19 and name   H8)  2.50  0.70  0.50
assi (resi  18 and name  H2') (resi  19 and name H5'')  3.80  2.00  0.70
assi (resi  18 and name  H3') (resi  19 and name   H8)  3.80  2.00  0.70
assi (resi  18 and name   H2) (resi  19 and name   H8)  6.00  2.00  1.00
assi (resi  18 and name   H8) (resi  19 and name   H8)  3.80  2.00  0.70
!assi (resi  19 and name  H1') (resi  19 and name  H2')  2.80  0.40  0.40
!assi (resi  19 and name  H1') (resi  19 and name  H4')  3.00  0.40  0.40
!assi (resi  19 and name  H2') (resi  19 and name H5'')  5.00  2.00  1.00
!assi (resi  19 and name  H4') (resi  19 and name H5'')  3.00  1.20  1.00
assi (resi  19 and name  H1') (resi  19 and name   H8)  3.80  2.00  0.70
assi (resi  19 and name  H2') (resi  19 and name   H8)  4.40  2.00  0.70
assi (resi  19 and name  H3') (resi  19 and name   H8)  3.50  0.70  0.50
assi (resi  19 and name  H4') (resi  19 and name   H8)  5.00  2.00  1.00
assi (resi  19 and name  H1') (resi  20 and name   H6)  5.00  2.00  1.00
assi (resi  19 and name  H1') (resi  20 and name   H5)  5.00  2.00  1.00
assi (resi  19 and name  H2') (resi  20 and name   H5)  3.80  2.00  0.70
assi (resi  19 and name  H2') (resi  20 and name   H6)  2.50  0.70  0.50
assi (resi  19 and name  H3') (resi  20 and name   H5)  3.80  2.00  0.70
assi (resi  19 and name  H3') (resi  20 and name   H6)  3.80  2.00  0.70
assi (resi  19 and name  H4') (resi  20 and name   H5)  6.00  2.00  1.00
assi (resi  19 and name  H4') (resi  20 and name   H6)  5.00  2.00  1.00
assi (resi  19 and name   H8) (resi  20 and name   H5)  3.80  2.00  0.70
assi (resi  19 and name   H8) (resi  20 and name   H6)  5.00  2.00  0.70
!assi (resi  20 and name  H1') (resi  20 and name  H2')  2.80  0.40  0.40
!assi (resi  20 and name   H5) (resi  20 and name   H6)  2.15  0.35  0.35
assi (resi  20 and name  H1') (resi  20 and name   H5)  5.00  2.00  1.00
assi (resi  20 and name  H1') (resi  20 and name   H6)  3.80  2.00  0.70
assi (resi  20 and name  H2') (resi  20 and name   H5)  5.00  2.00  1.00
assi (resi  20 and name  H2') (resi  20 and name   H6)  4.40  2.00  0.70
assi (resi  20 and name  H1') (resi  21 and name  H1')  6.00  3.00  1.00
assi (resi  20 and name  H1') (resi  21 and name   H5)  5.00  3.00  1.00
assi (resi  20 and name  H1') (resi  21 and name   H6)  5.00  3.00  1.00
assi (resi  20 and name  H2') (resi  21 and name  H1')  5.00  3.00  1.00
assi (resi  20 and name  H2') (resi  21 and name   H5)  3.80  2.00  0.70
assi (resi  20 and name  H2') (resi  21 and name   H6)  2.50  0.70  0.50
assi (resi  20 and name   H5) (resi  21 and name   H5)  3.80  2.00  0.70
assi (resi  20 and name   H5) (resi  21 and name   H6)  5.00  3.00  1.00
assi (resi  20 and name   H6) (resi  21 and name   H5)  5.00  3.00  1.00
assi (resi  20 and name   H6) (resi  21 and name   H6)  5.00  3.00  1.00
!assi (resi  21 and name  H1') (resi  21 and name  H2')  2.80  0.40  0.40
!assi (resi  21 and name  H1') (resi  21 and name  H3')  3.90  0.40  0.40
!assi (resi  21 and name  H1') (resi  21 and name  H4')  3.00  0.40  0.40
!assi (resi  21 and name  H1') (resi  21 and name H5'')  5.00  2.00  1.00
!assi (resi  21 and name   H5) (resi  21 and name   H6)  2.15  0.35  0.35
assi (resi  21 and name  H1') (resi  21 and name   H6)  3.80  2.00  0.70
assi (resi  21 and name  H2') (resi  21 and name   H5)  5.00  3.00  1.00
assi (resi  21 and name  H2') (resi  21 and name   H6)  3.80  2.00  0.70
assi (resi  21 and name  H3') (resi  21 and name   H5)  5.00  3.00  1.00
assi (resi  21 and name  H3') (resi  21 and name   H6)  3.50  1.80  0.50
assi (resi  21 and name  H4') (resi  21 and name   H6)  5.00  3.00  1.00
assi (resi  21 and name  H1') (resi  22 and name  H1')  6.00  2.00  1.00
assi (resi  21 and name  H1') (resi  22 and name   H8)  5.00  3.00  1.00
assi (resi  21 and name  H2') (resi  22 and name   H8)  2.50  0.70  0.50
assi (resi  21 and name  H3') (resi  22 and name   H8)  3.80  2.00  0.70
assi (resi  21 and name   H5) (resi  22 and name   H8)  3.80  2.00  1.00
assi (resi  21 and name   H6) (resi  22 and name   H8)  5.00  3.00  1.00
!assi (resi  22 and name  H1') (resi  22 and name  H2')  2.80  0.40  0.40
!assi (resi  22 and name  H1') (resi  22 and name  H3')  3.90  0.40  0.40
!assi (resi  22 and name  H1') (resi  22 and name  H4')  3.00  0.40  0.40
!assi (resi  22 and name  H1') (resi  22 and name H5'')  5.00  2.00  1.00
assi (resi  22 and name  H1') (resi  22 and name   H8)  3.80  2.00  0.70
assi (resi  22 and name  H2') (resi  22 and name   H8)  4.40  2.00  0.70
assi (resi  22 and name  H3') (resi  22 and name   H8)  3.80  1.80  0.50
assi (resi  22 and name  H4') (resi  22 and name   H8)  5.00  2.00  1.00
assi (resi  22 and name  H1') (resi  23 and name  H1')  6.00  2.00  1.00
assi (resi  22 and name  H1') (resi  23 and name   H5)  6.00  2.00  1.00
assi (resi  22 and name  H1') (resi  23 and name   H6)  5.00  2.00  1.00
assi (resi  22 and name  H2') (resi  23 and name  H1')  3.80  2.00  0.70
assi (resi  22 and name  H2') (resi  23 and name   H5)  3.80  2.00  0.70
assi (resi  22 and name  H2') (resi  23 and name   H6)  2.50  0.70  0.50
assi (resi  22 and name  H3') (resi  23 and name   H5)  3.80  2.00  0.70
assi (resi  22 and name  H3') (resi  23 and name   H6)  3.80  2.00  0.70
assi (resi  22 and name   H8) (resi  23 and name   H5)  3.80  2.00  0.70
assi (resi  22 and name   H8) (resi  23 and name   H6)  3.80  2.00  0.70
!assi (resi  23 and name  H1') (resi  23 and name  H2')  2.80  0.40  0.40
!assi (resi  23 and name  H1') (resi  23 and name  H3')  3.90  0.40  0.40
!assi (resi  23 and name  H1') (resi  23 and name  H4')  3.00  0.40  0.40
!assi (resi  23 and name   H5) (resi  23 and name   H6)  2.15  0.35  0.35
assi (resi  23 and name  H1') (resi  23 and name   H5)  5.00  2.00  1.00
assi (resi  23 and name  H1') (resi  23 and name   H6)  3.80  2.00  0.70
assi (resi  23 and name  H2') (resi  23 and name   H5)  6.00  2.00  1.00
assi (resi  23 and name  H2') (resi  23 and name   H6)  5.00  2.00  1.00
assi (resi  23 and name  H3') (resi  23 and name   H5)  5.00  2.00  1.00
assi (resi  23 and name  H3') (resi  23 and name   H6)  3.80  2.00  0.70
assi (resi  23 and name  H4') (resi  23 and name   H6)  5.00  2.00  1.00
assi (resi  23 and name  H1') (resi  24 and name  H1')  6.00  2.00  1.00
assi (resi  23 and name  H2') (resi  24 and name  H1')  3.80  2.00  0.70
assi (resi  23 and name  H2') (resi  24 and name   H8)  2.50  0.70  0.50
assi (resi  23 and name  H3') (resi  24 and name   H8)  3.80  2.00  0.70
assi (resi  23 and name  H1') (resi  24 and name   H8)  5.00  2.00  1.00
assi (resi  23 and name   H6) (resi  24 and name   H8)  5.00  2.00  1.00
!assi (resi  24 and name  H1') (resi  24 and name  H2')  2.80  0.40  0.40
!assi (resi  24 and name  H1') (resi  24 and name  H3')  3.90  0.40  0.40
!assi (resi  24 and name  H1') (resi  24 and name  H4')  3.00  0.40  0.40
!assi (resi  24 and name  H1') (resi  24 and name  H5')  5.00  2.00  1.00
!assi (resi  24 and name  H1') (resi  24 and name H5'')  5.00  2.00  1.00
assi (resi  24 and name  H1') (resi  24 and name   H2)  5.00  2.00  1.00
assi (resi  24 and name  H1') (resi  24 and name   H8)  3.80  2.00  0.70
assi (resi  24 and name  H2') (resi  24 and name   H8)  4.40  2.00  0.70
assi (resi  24 and name  H3') (resi  24 and name   H8)  3.50  0.70  0.50
assi (resi  24 and name  H4') (resi  24 and name   H8)  5.00  2.00  1.00
assi (resi  24 and name  H1') (resi  25 and name  H1')  6.00  2.00  1.00
assi (resi  24 and name  H1') (resi  25 and name   H5)  6.00  2.00  1.00
assi (resi  24 and name  H1') (resi  25 and name   H6)  5.00  2.00  1.00
assi (resi  24 and name  H2') (resi  25 and name   H5)  5.00  2.00  1.00
assi (resi  24 and name  H2') (resi  25 and name   H6)  3.80  2.00  0.70
assi (resi  24 and name  H3') (resi  25 and name   H5)  5.00  2.00  1.00
assi (resi  24 and name  H3') (resi  25 and name   H6)  3.80  2.00  0.70
assi (resi  24 and name   H2) (resi  25 and name  H1')  3.80  2.00  0.70
assi (resi  24 and name   H2) (resi  25 and name   H5)  6.00  2.00  1.00
assi (resi  24 and name   H8) (resi  25 and name   H5)  5.00  2.00  1.00
assi (resi  24 and name   H8) (resi  25 and name   H6)  5.00  2.00  1.00
!assi (resi  25 and name  H1') (resi  25 and name  H2')  2.80  0.40  0.40
!assi (resi  25 and name  H1') (resi  25 and name  H3')  3.90  0.40  0.40
!assi (resi  25 and name  H1') (resi  25 and name  H4')  3.00  0.40  0.40
!assi (resi  25 and name  H1') (resi  25 and name H5'')  5.00  2.00  1.00
!assi (resi  25 and name   H5) (resi  25 and name   H6)  2.15  0.35  0.35
assi (resi  25 and name  H1') (resi  25 and name   H5)  5.00  2.00  1.00
assi (resi  25 and name  H1') (resi  25 and name   H6)  3.80  2.00  0.70
assi (resi  25 and name  H2') (resi  25 and name   H5)  5.00  2.00  1.00
assi (resi  25 and name  H2') (resi  25 and name   H6)  4.50  2.70  0.50
assi (resi  25 and name  H3') (resi  25 and name   H5)  5.00  2.00  1.00
assi (resi  25 and name  H3') (resi  25 and name   H6)  3.80  2.00  0.70
assi (resi  25 and name  H4') (resi  25 and name   H6)  5.00  2.00  1.00
assi (resi  25 and name  H1') (resi  26 and name   H8)  5.00  2.00  1.00
assi (resi  25 and name  H1') (resi  26 and name  H2')  6.00  2.00  2.00
assi (resi  25 and name  H2') (resi  26 and name   H8)  3.80  2.00  0.70
assi (resi  25 and name  H3') (resi  26 and name   H8)  3.80  2.00  0.70
!assi (resi  25 and name  H4') (resi  26 and name   H8)  3.80  2.00  0.70
assi (resi  25 and name   H6) (resi  26 and name   H8)  5.00  2.00  1.00
!assi (resi  26 and name  H1') (resi  26 and name  H2')  2.80  0.40  0.40
!assi (resi  26 and name  H1') (resi  26 and name  H3')  3.90  0.40  0.40
!assi (resi  26 and name  H1') (resi  26 and name  H4')  3.00  0.40  0.40
!assi (resi  26 and name  H2') (resi  26 and name  H3')  2.40  0.40  0.40
!assi (resi  26 and name  H2') (resi  26 and name  H4')  3.80  0.40  0.40
!assi (resi  26 and name  H2') (resi  26 and name H5'')  3.90  1.00  1.00
assi (resi  26 and name  H1') (resi  26 and name   H8)  3.80  2.00  0.70
assi (resi  26 and name  H2') (resi  26 and name   H8)  4.40  2.00  0.70
!assi (resi  26 and name  H2') (resi  27 and name  H1')  5.00  2.00  1.00
assi (resi  26 and name  H2') (resi  27 and name   H5)  5.00  2.00  1.00
assi (resi  26 and name  H2') (resi  27 and name   H6)  3.80  2.00  0.70
assi (resi  26 and name   H8) (resi  28 and name  H1')  5.00  2.00  1.00
!assi (resi  27 and name  H1') (resi  27 and name  H2')  2.80  0.40  0.40
!assi (resi  27 and name  H1') (resi  27 and name  H3')  3.90  0.40  0.40
!assi (resi  27 and name  H1') (resi  27 and name  H4')  3.00  0.40  0.40
!assi (resi  27 and name   H5) (resi  27 and name   H6)  2.15  0.35  0.35
assi (resi  27 and name  H1') (resi  27 and name   H5)  5.00  2.00  1.00
assi (resi  27 and name  H1') (resi  27 and name   H6)  3.80  2.00  0.70
assi (resi  27 and name  H2') (resi  27 and name   H6)  4.40  2.00  0.70
assi (resi  27 and name  H3') (resi  27 and name   H5)  5.00  2.00  1.00
assi (resi  27 and name  H3') (resi  27 and name   H6)  3.50  0.70  0.50
assi (resi  27 and name  H1') (resi  28 and name  H1')  6.00  2.00  1.00
assi (resi  27 and name  H1') (resi  28 and name   H8)  5.00  2.00  1.00
assi (resi  27 and name  H2') (resi  28 and name   H8)  2.50  0.70  0.50
assi (resi  27 and name  H3') (resi  28 and name   H8)  3.80  2.00  0.70
assi (resi  27 and name   H6) (resi  28 and name   H8)  5.00  2.00  1.00
!assi (resi  28 and name  H1') (resi  28 and name  H2')  2.80  0.40  0.40
!assi (resi  28 and name  H1') (resi  28 and name  H3')  3.90  0.40  0.40
!assi (resi  28 and name  H1') (resi  28 and name  H4')  3.00  0.40  0.40
!assi (resi  28 and name  H1') (resi  28 and name H5'')  6.00  2.00  1.00
assi (resi  28 and name  H1') (resi  28 and name   H2)  5.00  2.00  1.00
assi (resi  28 and name  H1') (resi  28 and name   H8)  3.80  2.00  0.70
assi (resi  28 and name  H2') (resi  28 and name   H8)  4.40  2.00  0.70
assi (resi  28 and name  H3') (resi  28 and name   H8)  3.50  0.70  0.50
assi (resi  28 and name  H4') (resi  28 and name   H8)  5.00  2.00  1.00
assi (resi  28 and name  H1') (resi  29 and name  H1')  6.00  2.00  1.00
assi (resi  28 and name  H1') (resi  29 and name   H5)  6.00  2.00  1.00
assi (resi  28 and name  H1') (resi  29 and name   H6)  5.00  2.00  1.00
assi (resi  28 and name  H2') (resi  29 and name   H5)  3.80  2.00  0.70
assi (resi  28 and name  H2') (resi  29 and name   H6)  2.50  0.70  0.50
assi (resi  28 and name  H3') (resi  29 and name   H5)  3.80  2.00  0.70
assi (resi  28 and name  H3') (resi  29 and name   H6)  3.80  2.00  0.70
assi (resi  28 and name   H2) (resi  29 and name  H1')  3.80  2.00  0.70
assi (resi  28 and name   H8) (resi  29 and name   H5)  3.80  2.00  0.70
assi (resi  28 and name   H8) (resi  29 and name   H6)  5.00  2.00  1.00
!assi (resi  29 and name  H1') (resi  29 and name  H2')  2.80  0.40  0.40
!assi (resi  29 and name  H1') (resi  29 and name  H3')  3.90  0.40  0.40
!assi (resi  29 and name  H1') (resi  29 and name  H4')  3.00  0.40  0.40
!assi (resi  29 and name  H1') (resi  29 and name  H5')  5.00  2.00  1.00
!assi (resi  29 and name  H1') (resi  29 and name H5'')  5.00  2.00  1.00
!assi (resi  29 and name   H5) (resi  29 and name   H6)  2.15  0.35  0.35
assi (resi  29 and name  H1') (resi  29 and name   H5)  5.00  2.00  1.00
assi (resi  29 and name  H1') (resi  29 and name   H6)  3.80  2.00  0.70
assi (resi  29 and name  H2') (resi  29 and name   H5)  5.00  2.00  1.00
assi (resi  29 and name  H2') (resi  29 and name   H6)  4.40  2.00  0.70
assi (resi  29 and name  H3') (resi  29 and name   H5)  5.00  2.00  1.00
assi (resi  29 and name  H3') (resi  29 and name   H6)  3.50  0.70  0.50
assi (resi  29 and name  H1') (resi  30 and name  H1')  6.00  2.00  1.00
assi (resi  29 and name  H1') (resi  30 and name   H8)  5.00  2.00  1.00
assi (resi  29 and name  H2') (resi  30 and name  H1')  4.50  2.00  0.70
assi (resi  29 and name  H2') (resi  30 and name   H8)  2.50  0.70  0.50
!assi (resi  30 and name  H1') (resi  30 and name  H2')  2.80  0.40  0.40
!assi (resi  30 and name  H1') (resi  30 and name  H3')  3.90  0.40  0.40
!assi (resi  30 and name  H1') (resi  30 and name  H5')  5.00  2.00  1.00
!assi (resi  30 and name  H1') (resi  30 and name H5'')  5.00  2.00  1.00
assi (resi  30 and name  H1') (resi  30 and name   H8)  3.80  2.00  0.70
assi (resi  30 and name  H2') (resi  30 and name   H8)  4.40  2.00  0.70
assi (resi  30 and name  H3') (resi  30 and name   H8)  3.50  0.70  0.50
assi (resi  30 and name  H1') (resi  31 and name   H8)  5.00  2.00  1.00
assi (resi  30 and name  H2') (resi  31 and name   H8)  2.50  0.70  0.50
assi (resi  30 and name  H3') (resi  31 and name   H8)  3.80  2.00  0.70
assi (resi  30 and name   H8) (resi  31 and name   H8)  5.00  2.00  1.00
!assi (resi  31 and name  H1') (resi  31 and name  H2')  2.80  0.40  0.40
!assi (resi  31 and name  H1') (resi  31 and name  H3')  3.90  0.40  0.40
!assi (resi  31 and name  H1') (resi  31 and name  H4')  3.00  0.40  0.40
!assi (resi  31 and name  H1') (resi  31 and name H5'')  5.00  2.00  1.00
assi (resi  31 and name  H1') (resi  31 and name   H8)  3.80  2.00  0.70
assi (resi  31 and name  H2') (resi  31 and name   H8)  4.40  2.00  0.70
assi (resi  31 and name  H3') (resi  31 and name   H8)  3.50  0.70  0.50
assi (resi  31 and name  H4') (resi  31 and name   H8)  5.00  2.00  1.00
assi (resi  31 and name  H1') (resi  32 and name  H1')  6.00  2.00  1.00
assi (resi  31 and name  H1') (resi  32 and name   H5)  6.00  2.00  1.00
assi (resi  31 and name  H1') (resi  32 and name   H6)  3.80  2.00  0.70
assi (resi  31 and name  H2') (resi  32 and name  H1')  3.80  2.00  0.70
assi (resi  31 and name  H2') (resi  32 and name   H5)  3.80  2.00  0.70
assi (resi  31 and name  H2') (resi  32 and name   H6)  2.50  0.70  0.50
assi (resi  31 and name  H3') (resi  32 and name   H5)  3.80  2.00  0.70
assi (resi  31 and name  H3') (resi  32 and name   H6)  3.80  2.00  0.70
assi (resi  31 and name   H8) (resi  32 and name   H5)  3.80  2.00  0.70
assi (resi  31 and name   H8) (resi  32 and name   H6)  3.80  2.00  0.70
!assi (resi  32 and name  H1') (resi  32 and name  H2')  2.80  0.40  0.40
!assi (resi  32 and name  H1') (resi  32 and name  H3')  3.90  0.40  0.40
!assi (resi  32 and name   H5) (resi  32 and name   H6)  2.15  0.35  0.35
assi (resi  32 and name  H1') (resi  32 and name   H5)  5.00  2.00  1.00
assi (resi  32 and name  H1') (resi  32 and name   H6)  3.80  2.00  0.70
assi (resi  32 and name  H2') (resi  32 and name   H5)  5.00  2.00  1.00
assi (resi  32 and name  H2') (resi  32 and name   H6)  4.40  2.00  0.70
assi (resi  32 and name  H3') (resi  32 and name   H5)  5.00  2.00  1.00
assi (resi  32 and name  H3') (resi  32 and name   H6)  3.50  0.70  0.50
assi (resi  32 and name  H1') (resi  33 and name  H1')  6.00  2.00  1.00
assi (resi  32 and name  H1') (resi  33 and name   H6)  4.40  2.00  1.00
assi (resi  32 and name  H2') (resi  33 and name   H5)  3.80  2.00  0.70
assi (resi  32 and name  H2') (resi  33 and name   H6)  2.50  0.70  0.50
assi (resi  32 and name   H5) (resi  33 and name   H5)  5.00  2.00  1.00
assi (resi  32 and name   H6) (resi  33 and name   H5)  5.00  2.00  1.00
assi (resi  32 and name   H6) (resi  33 and name   H6)  5.00  2.00  1.00
!assi (resi  33 and name  H1') (resi  33 and name  H2')  2.80  0.40  0.40
!assi (resi  33 and name  H1') (resi  33 and name  H3')  3.90  0.40  0.40
!assi (resi  33 and name  H1') (resi  33 and name  H4')  3.00  0.40  0.40
!assi (resi  33 and name   H5) (resi  33 and name   H6)  2.15  0.35  0.35
assi (resi  33 and name  H1') (resi  33 and name   H6)  3.80  2.00  0.70
assi (resi  33 and name  H2') (resi  33 and name   H5)  5.00  2.00  1.00
assi (resi  33 and name  H2') (resi  33 and name   H6)  4.40  0.70  0.50
assi (resi  33 and name  H3') (resi  33 and name   H5)  5.00  2.00  1.00
assi (resi  33 and name  H3') (resi  33 and name   H6)  3.50  0.70  0.50
assi (resi  33 and name  H4') (resi  33 and name   H6)  3.80  2.00  0.70
assi (resi  33 and name  H1') (resi  34 and name  H1')  6.00  2.00  1.00
assi (resi  33 and name  H1') (resi  34 and name   H6)  5.00  2.00  1.00
assi (resi  33 and name  H2') (resi  34 and name  H1')  4.50  2.00  0.70
assi (resi  33 and name  H2') (resi  34 and name   H6)  2.50  0.70  0.50
assi (resi  33 and name  H3') (resi  34 and name   H6)  3.80  2.00  0.70
assi (resi  33 and name  H4') (resi  34 and name   H5)  5.00  2.00  1.00
assi (resi  33 and name   H6) (resi  34 and name   H5)  5.00  2.00  1.00
assi (resi  33 and name   H6) (resi  34 and name   H6)  5.00  2.00  1.00
!assi (resi  34 and name  H1') (resi  34 and name  H2')  2.80  0.40  0.40
!assi (resi  34 and name  H1') (resi  34 and name  H3')  3.90  0.40  0.40
!assi (resi  34 and name  H1') (resi  34 and name  H4')  3.00  0.40  0.40
!assi (resi  34 and name   H5) (resi  34 and name   H6)  2.15  0.35  0.35
assi (resi  34 and name  H1') (resi  34 and name   H6)  3.80  2.00  0.70
assi (resi  34 and name  H2') (resi  34 and name   H5)  5.00  2.00  1.00
assi (resi  34 and name  H2') (resi  34 and name   H6)  4.40  2.00  0.70
assi (resi  34 and name  H3') (resi  34 and name   H5)  5.00  2.00  1.00
assi (resi  34 and name  H3') (resi  34 and name   H6)  3.50  0.70  0.50
assi (resi  34 and name  H4') (resi  34 and name   H6)  5.00  2.00  1.00


!Repulsive restraints 
assi (resi  8 and name   H2) (resi  26 and name   H8)  6.50  0.50  3.00
assi (resi  9 and name   H1') (resi  26 and name   H8)  8.00  0.50  3.00
assi (resi  26 and name   H8) (resi  27 and name   H1') 6.50  0.50  3.00
 


! File name 1R2P_noeH2O.cns
! NMR structure of D5 of the group II intron ai5gamma
! PDB entry 1R2P
! BMRB entry 5962
! Authors: R.K.O.SIGEL,D.S.SASHITAL,D.L.ABRAMOVITZ,S.E.BUTCHER, A.G.PALMER,A.M.PYLE
! NOE restraints based on D5 samples in H2O


assi (resi   1 and name   H1) (resi   2 and name  H1')  6.00  2.00  1.00
assi (resi   1 and name   H1) (resi   2 and name   H2)  5.00  2.00  1.00
assi (resi   1 and name   H1) (resi  33 and name   H3)  5.00  2.00  1.00
assi (resi   1 and name   H1) (resi  34 and name  H42)  2.50  0.70  0.50
assi (resi   1 and name   H1) (resi  34 and name  H41)  3.60  0.40  0.40
assi (resi   3 and name   H1) (resi   2 and name   H2)  5.00  2.00  1.00
assi (resi   3 and name   H1) (resi   3 and name  H2')  6.00  2.00  1.00
assi (resi   3 and name   H1) (resi   4 and name  H1')  3.80  2.00  0.70
assi (resi   3 and name   H1) (resi   4 and name  H42)  5.00  2.00  1.00
assi (resi   3 and name   H1) (resi   4 and name  H41)  6.00  2.00  1.00
assi (resi   3 and name  H22) (resi   4 and name  H1')  3.80  2.00  0.70
assi (resi   3 and name   H1) (resi  31 and name   H1)  3.80  2.00  0.70
assi (resi   3 and name   H1) (resi  32 and name  H2')  6.00  3.00  1.00
assi (resi   3 and name   H1) (resi  32 and name   H3)  2.50  0.70  0.50
assi (resi   3 and name   H1) (resi  32 and name   H5)  6.00  2.00  1.00
assi (resi   3 and name   H1) (resi  32 and name   H6)  6.00  2.00  1.00
assi (resi   3 and name   H1) (resi  33 and name  H1')  6.00  3.00  0.70
assi (resi   3 and name   H1) (resi  33 and name   H3)  3.80  2.00  0.70
assi (resi   3 and name   H1) (resi  33 and name   H5)  5.00  2.00  1.00
assi (resi   3 and name   H1) (resi  33 and name   H6)  5.00  2.00  1.00
assi (resi   4 and name  H41) (resi   5 and name   H5)  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi   6 and name  H2')  6.00  2.00  1.00
assi (resi   6 and name   H1) (resi   7 and name  H1')  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi   7 and name  H2')  6.00  2.00  1.00
assi (resi   6 and name   H1) (resi   7 and name   H3)  3.80  2.00  0.70
assi (resi   6 and name   H1) (resi   7 and name   H5)  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi   7 and name   H6)  6.00  2.00  1.00
assi (resi   6 and name   H1) (resi  28 and name   H2)  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi  29 and name  H1')  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi  29 and name  H42)  2.50  0.70  0.50
assi (resi   6 and name   H1) (resi  29 and name  H41)  3.60  0.40  0.40
assi (resi   6 and name   H1) (resi  29 and name   H5)  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi  30 and name  H1')  6.00  2.00  1.00
assi (resi   6 and name   H1) (resi  30 and name   H1)  5.00  2.00  1.00
assi (resi   6 and name   H1) (resi  30 and name  H22)  6.00  2.00  1.00
assi (resi   6 and name   H1) (resi  30 and name   H8)  5.00  2.00  1.00
assi (resi   7 and name   H3) (resi   7 and name  H2')  5.00  2.00  1.00
assi (resi   7 and name   H3) (resi   8 and name  H1')  5.00  2.00  1.00
assi (resi   7 and name   H3) (resi   8 and name   H8)  5.00  2.00  1.00
assi (resi   7 and name   H3) (resi   8 and name  H61)  5.00  2.00  1.00
assi (resi   7 and name   H3) (resi  26 and name  H8)  4.40  1.00  1.00
assi (resi   7 and name   H3) (resi  28 and name  H62)  2.50  0.70  0.50
assi (resi   7 and name   H3) (resi  28 and name   H2)  3.00  0.40  0.40
assi (resi   7 and name   H3) (resi  29 and name  H42)  5.00  2.00  1.00
assi (resi   7 and name   H3) (resi  29 and name   H5)  6.00  2.00  1.00
assi (resi  10 and name   H1) (resi  10 and name  H2')  6.00  3.00  1.00
assi (resi  10 and name   H1) (resi  11 and name  H1')  6.00  3.00  1.00
assi (resi  10 and name   H1) (resi  11 and name  H42)  3.80  2.00  0.70
assi (resi  10 and name   H1) (resi  11 and name  H41)  5.00  2.00  1.00
assi (resi  10 and name   H1) (resi  22 and name   H1)  3.80  2.00  0.70
assi (resi  10 and name   H1) (resi  22 and name   H6)  6.00  2.00  1.00
assi (resi  10 and name   H1) (resi  23 and name  H1')  6.00  3.00  1.00
assi (resi  10 and name   H1) (resi  23 and name  H2')  6.00  3.00  1.00
assi (resi  10 and name   H1) (resi  23 and name  H42)  2.50  0.70  0.50
assi (resi  10 and name   H1) (resi  23 and name  H41)  3.60  0.40  0.40
assi (resi  10 and name   H1) (resi  23 and name   H5)  5.00  2.00  1.00
assi (resi  12 and name   H1) (resi  11 and name  H41)  5.00  2.00  1.00
assi (resi  12 and name   H1) (resi  12 and name  H2')  6.00  2.00  1.00
assi (resi  12 and name   H1) (resi  13 and name  H1')  5.00  2.00  1.00
assi (resi  12 and name   H1) (resi  13 and name   H2)  5.00  2.00  1.00
assi (resi  12 and name   H1) (resi  13 and name  H62)  3.80  2.00  0.70
assi (resi  12 and name   H1) (resi  13 and name  H61)  3.80  2.00  0.70
assi (resi  12 and name   H1) (resi  20 and name   H3)  3.80  2.00  0.70
assi (resi  12 and name   H1) (resi  20 and name   H5)  6.00  2.00  1.00
assi (resi  12 and name   H1) (resi  21 and name  H1')  5.00  2.00  1.00
assi (resi  12 and name   H1) (resi  21 and name  H2')  6.00  2.00  1.00
assi (resi  12 and name   H1) (resi  21 and name  H42)  2.50  0.70  0.50
assi (resi  12 and name   H1) (resi  21 and name  H41)  3.60  0.40  0.40
assi (resi  12 and name   H1) (resi  21 and name   H6)  6.00  2.00  1.00
assi (resi  12 and name   H1) (resi  22 and name  H1')  5.00  2.00  1.00
assi (resi  12 and name   H1) (resi  22 and name   H1)  5.00  2.00  1.00
assi (resi  14 and name   H3) (resi  13 and name   H2)  5.00  2.00  1.00
assi (resi  14 and name   H3) (resi  13 and name  H62)  3.80  2.00  0.70
assi (resi  14 and name   H3) (resi  13 and name  H61)  3.80  2.00  0.70
assi (resi  14 and name   H3) (resi  14 and name  H1')  5.00  2.00  1.00
assi (resi  14 and name   H3) (resi  14 and name  H2')  5.00  2.00  1.00
assi (resi  14 and name   H3) (resi  14 and name  H3')  6.00  2.00  1.00
assi (resi  14 and name   H3) (resi  14 and name   H6)  5.00  2.00  1.00
assi (resi  14 and name   H3) (resi  15 and name  H1')  6.00  3.00  1.00
assi (resi  14 and name   H3) (resi  15 and name   H1)  3.80  2.00  0.70
assi (resi  14 and name   H3) (resi  15 and name   H8)  6.00  2.00  1.00   
assi (resi  14 and name   H3) (resi  19 and name   H1)  2.50  0.70  0.50
assi (resi  14 and name   H3) (resi  19 and name  H22)  5.00  3.00  0.90
assi (resi  14 and name   H3) (resi  20 and name   H3)  5.00  2.00  1.00
assi (resi  14 and name   H3) (resi  20 and name  H1')  5.50  2.00  1.00
assi (resi  15 and name   H1) (resi  17 and name   H8)  3.80  2.00  0.70
assi (resi  15 and name   H1) (resi  17 and name  H2')  6.00  2.00  1.00
assi (resi  15 and name   H1) (resi  18 and name   H8)  5.00  2.00  1.00
assi (resi  15 and name   H1) (resi  19 and name   H1)  6.00  2.00  1.00
assi (resi  19 and name   H1) (resi  19 and name  H2')  6.00  2.00  1.00
assi (resi  19 and name   H1) (resi  19 and name  H3')  6.00  2.00  1.00
assi (resi  19 and name   H1) (resi  20 and name  H1')  6.00  3.00  1.00
assi (resi  19 and name   H1) (resi  20 and name   H3)  3.80  2.00  0.70
assi (resi  19 and name   H1) (resi  20 and name   H5)  5.00  2.00  1.00
assi (resi  19 and name   H1) (resi  13 and name   H2)  5.00  2.00  1.00
assi (resi  19 and name   H1) (resi  13 and name  H62)  6.00  2.00  1.00
assi (resi  19 and name   H1) (resi  13 and name  H61)  6.00  2.00  1.00
assi (resi  19 and name   H1) (resi  14 and name  H1')  6.00  3.00  1.00
assi (resi  19 and name   H1) (resi  14 and name  H2')  6.00  2.00  1.00
assi (resi  19 and name   H1) (resi  15 and name  H1')  5.00  3.00  0.70
assi (resi  19 and name   H1) (resi  15 and name   H8)  6.00  2.00  1.00
assi (resi  20 and name   H3) (resi  19 and name  H22)  5.00  2.00  1.00
assi (resi  20 and name   H3) (resi  20 and name  H1')  5.00  2.00  1.00
assi (resi  20 and name   H3) (resi  20 and name  H2')  5.00  2.00  1.00
assi (resi  20 and name   H3) (resi  21 and name  H42)  3.80  2.00  0.70
assi (resi  20 and name   H3) (resi  21 and name  H41)  3.80  2.00  0.70
assi (resi  20 and name   H3) (resi  21 and name   H5)  5.00  2.00  1.00
assi (resi  20 and name   H3) (resi  13 and name   H2)  3.00  1.00  0.60
assi (resi  20 and name   H3) (resi  13 and name  H62)  3.00  2.00  0.60
assi (resi  20 and name   H3) (resi  13 and name  H61)  5.00  3.00  1.00
assi (resi  20 and name   H3) (resi  14 and name  H1')  6.00  3.00  1.00
assi (resi  21 and name  H41) (resi  20 and name   H6)  6.00  2.00  1.00
assi (resi  22 and name   H1) (resi  22 and name  H1')  6.00  2.00  1.00
assi (resi  22 and name   H1) (resi  22 and name  H2')  6.00  2.00  1.00
assi (resi  22 and name   H1) (resi  23 and name  H1')  6.00  2.00  1.00
assi (resi  22 and name   H1) (resi  23 and name  H42)  5.00  3.00  1.00
assi (resi  22 and name   H1) (resi  23 and name  H41)  6.00  3.00  1.00
assi (resi  22 and name   H1) (resi  11 and name  H1')  5.00  3.00  1.00
assi (resi  22 and name   H1) (resi  11 and name  H2')  6.00  3.00  1.00
assi (resi  22 and name   H1) (resi  11 and name  H42)  2.50  0.70  0.50
assi (resi  22 and name   H1) (resi  11 and name  H41)  4.00  2.00  0.80
assi (resi  22 and name   H1) (resi  11 and name   H5)  5.00  3.00  1.00
assi (resi  22 and name   H1) (resi  11 and name   H6)  6.00  3.00  1.00
assi (resi  22 and name   H1) (resi  12 and name  H1')  5.00  2.00  1.00
assi (resi  30 and name   H1) (resi  30 and name  H1')  6.00  2.00  1.00
assi (resi  30 and name   H1) (resi  31 and name   H1)  3.80  2.00  0.70
assi (resi  30 and name   H1) (resi  31 and name  H1')  5.00  2.00  1.00
assi (resi  30 and name   H1) (resi   4 and name  H41)  6.00  3.00  1.00
assi (resi  30 and name   H1) (resi   5 and name  H2')  6.00  3.00  1.00
assi (resi  30 and name   H1) (resi   5 and name  H42)  2.50  0.80  0.50
assi (resi  30 and name   H1) (resi   5 and name  H41)  3.60  0.40  0.40
assi (resi  30 and name   H1) (resi   5 and name   H5)  5.00  3.00  1.00
assi (resi  30 and name   H1) (resi   5 and name   H6)  6.00  3.00  1.00
assi (resi  30 and name   H1) (resi   6 and name   H8)  6.00  3.00  1.00
assi (resi  31 and name   H1) (resi  31 and name  H2')  6.00  2.00  1.00
assi (resi  31 and name   H1) (resi  32 and name   H3)  3.80  2.00  0.70
assi (resi  31 and name   H1) (resi   3 and name  H22)  5.00  2.00  1.00
assi (resi  31 and name   H1) (resi   4 and name  H42)  2.50  0.70  0.50
assi (resi  31 and name   H1) (resi   4 and name  H41)  3.60  0.40  0.40
assi (resi  31 and name   H1) (resi   4 and name   H5)  5.00  2.00  1.00
assi (resi  31 and name   H1) (resi   5 and name  H1')  5.00  2.00  1.00
assi (resi  31 and name   H1) (resi   5 and name  H41)  5.00  2.00  1.00
assi (resi  31 and name   H1) (resi   5 and name   H6)  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi  32 and name  H2')  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi  33 and name  H1')  6.00  2.00  1.00
assi (resi  32 and name   H3) (resi  33 and name   H3)  5.00  2.50  0.90
assi (resi  32 and name   H3) (resi  33 and name   H5)  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi  33 and name   H6)  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi   2 and name   H2)  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi   3 and name  H22)  3.80  2.00  0.70
assi (resi  32 and name   H3) (resi   4 and name  H1')  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi   4 and name  H42)  3.80  2.00  0.70
assi (resi  32 and name   H3) (resi   4 and name  H41)  5.00  2.00  1.00
assi (resi  32 and name   H3) (resi   4 and name   H5)  6.00  2.00  1.00
assi (resi  33 and name   H3) (resi  33 and name  H1')  5.00  2.00  1.00
assi (resi  33 and name   H3) (resi  33 and name  H2')  6.00  2.00  1.00
assi (resi  33 and name   H3) (resi  34 and name  H1')  5.00  2.00  1.00
assi (resi  33 and name   H3) (resi  34 and name   H5)  5.00  2.00  1.00
assi (resi  33 and name   H3) (resi  34 and name  H41)  3.80  2.00  0.70
assi (resi  33 and name   H3) (resi  34 and name  H42)  5.00  2.00  1.00
assi (resi  33 and name   H3) (resi   2 and name   H2)  3.00  1.20  0.60
assi (resi  33 and name   H3) (resi   2 and name  H62)  2.50  0.70  0.50 
assi (resi  33 and name   H3) (resi   2 and name  H61)  3.60  0.40  0.40

! File name 1R2P_angles.cns
! NMR structure of D5 of the group II intron ai5gamma
! PDB entry 1R2P
! BMRB entry 5962
! Authors: R.K.O.SIGEL,D.S.SASHITAL,D.L.ABRAMOVITZ,S.E.BUTCHER, A.G.PALMER,A.M.PYLE
! angle restraints 


 assign  ( resi 1 and name O5'  )                        
         ( resi 1 and name C5'  )                        
         ( resi 1 and name C4'  )                       
         ( resi 1 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 1 and name C4'  )                        
         ( resi 1 and name C3'  )                        
         ( resi 1 and name O3'  )                        
         ( resi 2 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 1 and name C3'  )                        
         ( resi 1 and name O3'  )                        
         ( resi 2 and name P    )                        
         ( resi 2 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 1 and name O3'  )                        
         ( resi 2 and name P    )                        
         ( resi 2 and name O5'  )                        
         ( resi 2 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 2 and name P    )                        
         ( resi 2 and name O5'  )                        
         ( resi 2 and name C5'  )                        
         ( resi 2 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 2 and name O5'  )                        
         ( resi 2 and name C5'  )                        
         ( resi 2 and name C4'  )                        
         ( resi 2 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                           
 assign  ( resi 2 and name C4'  )                        
         ( resi 2 and name C3'  )                        
         ( resi 2 and name O3'  )                        
         ( resi 3 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 2 and name C3'  )                        
         ( resi 2 and name O3'  )                        
         ( resi 3 and name P    )                        
         ( resi 3 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                           
 assign  ( resi 2 and name O3'  )                        
         ( resi 3 and name P    )                        
         ( resi 3 and name O5'  )                        
         ( resi 3 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
     	                           
 assign  ( resi 3 and name P    )                        
         ( resi 3 and name O5'  )                        
         ( resi 3 and name C5'  )                        
         ( resi 3 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 3 and name O5'  )                        
         ( resi 3 and name C5'  )                        
         ( resi 3 and name C4'  )                        
         ( resi 3 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
 	      		                           
 assign  ( resi 3 and name C4'  )                        
         ( resi 3 and name C3'  )                        
         ( resi 3 and name O3'  )                        
         ( resi 4 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 3 and name C3'  )                        
         ( resi 3 and name O3'  )                        
         ( resi 4 and name P    )                        
         ( resi 4 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                           
 assign  ( resi 3 and name O3'  )                        
         ( resi 4 and name P    )                        
         ( resi 4 and name O5'  )                        
         ( resi 4 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 4 and name P    )                        
         ( resi 4 and name O5'  )                        
         ( resi 4 and name C5'  )                        
         ( resi 4 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 4 and name O5'  )                        
         ( resi 4 and name C5'  )                        
         ( resi 4 and name C4'  )                        
         ( resi 4 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                           
 assign  ( resi 4 and name C4'  )                        
         ( resi 4 and name C3'  )                        
         ( resi 4 and name O3'  )                        
         ( resi 5 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 4 and name C3'  )                        
         ( resi 4 and name O3'  )                        
         ( resi 5 and name P    )                        
         ( resi 5 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}

 assign  ( resi 4 and name O3'  )                        
         ( resi 5 and name P    )                        
         ( resi 5 and name O5'  )                        
         ( resi 5 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 5 and name P    )                        
         ( resi 5 and name O5'  )                        
         ( resi 5 and name C5'  )                        
         ( resi 5 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 5 and name O5'  )                        
         ( resi 5 and name C5'  )                        
         ( resi 5 and name C4'  )                        
         ( resi 5 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 5 and name C4'  )                        
         ( resi 5 and name C3'  )                        
         ( resi 5 and name O3'  )                        
         ( resi 6 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 5 and name C3'  )                        
         ( resi 5 and name O3'  )                        
         ( resi 6 and name P    )                        
         ( resi 6 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 5 and name O3'  )                        
         ( resi 6 and name P    )                        
         ( resi 6 and name O5'  )                        
         ( resi 6 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 6 and name P    )                        
         ( resi 6 and name O5'  )                        
         ( resi 6 and name C5'  )                        
         ( resi 6 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 6 and name O5'  )                        
         ( resi 6 and name C5'  )                        
         ( resi 6 and name C4'  )                        
         ( resi 6 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 6 and name C4'  )                        
         ( resi 6 and name C3'  )                        
         ( resi 6 and name O3'  )                        
         ( resi 7 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 6 and name C3'  )                        
         ( resi 6 and name O3'  )                        
         ( resi 7 and name P    )                        
         ( resi 7 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 6 and name O3'  )                        
         ( resi 7 and name P    )                        
         ( resi 7 and name O5'  )                        
         ( resi 7 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 7 and name P    )                        
         ( resi 7 and name O5'  )                        
         ( resi 7 and name C5'  )                        
         ( resi 7 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 7 and name O5'  )                        
         ( resi 7 and name C5'  )                        
         ( resi 7 and name C4'  )                        
         ( resi 7 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
    		                           
 assign  ( resi 7 and name C4'  )                        
         ( resi 7 and name C3'  )                        
         ( resi 7 and name O3'  )                        
         ( resi 8 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 7 and name C3'  )                        
         ( resi 7 and name O3'  )                        
         ( resi 8 and name P    )                        
         ( resi 8 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}

 assign  ( resi 7 and name O3'  )                        
         ( resi 8 and name P    )                        
         ( resi 8 and name O5'  )                        
         ( resi 8 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 8 and name P    )                        
         ( resi 8 and name O5'  )                        
         ( resi 8 and name C5'  )                        
         ( resi 8 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 8 and name O5'  )                        
         ( resi 8 and name C5'  )                        
         ( resi 8 and name C4'  )                        
         ( resi 8 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                                             
 assign  ( resi 8 and name C4'  )                        
         ( resi 8 and name C3'  )                        
         ( resi 8 and name O3'  )                        
         ( resi 9 and name P    )    1.0   -151.7   20.0  2 {*epsilon*}
	      		                           
 assign  ( resi 8 and name C3'  )                        
         ( resi 8 and name O3'  )                        
         ( resi 9 and name P    )                        
         ( resi 9 and name O5'  )    1.0   -73.6    20.0  2 {*zeta*}

 assign  ( resi 8 and name O3'  )                        
         ( resi 9 and name P    )                        
         ( resi 9 and name O5'  )                        
         ( resi 9 and name C5'  )    1.0   -62.1    20.0  2 {*alpha*}
	      	                           
 assign  ( resi 9 and name P    )                         
         ( resi 9 and name O5'  )                        
         ( resi 9 and name C5'  )                        
         ( resi 9 and name C4'  )    1.0   -179.9   20.0  2 {*beta*}

 assign  ( resi 9 and name O5'  )                        
         ( resi 9 and name C5'  )                        
         ( resi 9 and name C4'  )                        
         ( resi 9 and name C3'  )    1.0   47.44    20.0  2 {*gamma*}
       		                           
 assign  ( resi 9 and name C4'  )                        
         ( resi 9 and name C3'  )                        
         ( resi 9 and name O3'  )                        
         ( resi 10 and name P    )    1.0   -151.7   20.0  2 {*epsilon*}
	      		                           
 assign  ( resi 9 and name C3'  )                        
         ( resi 9 and name O3'  )                        
         ( resi 10 and name P    )                       
         ( resi 10 and name O5'  )    1.0   -73.6    20.0  2 {*zeta*}
	      		                          
 assign  ( resi 9 and name O3'  )                        
         ( resi 10 and name P    )                       
         ( resi 10 and name O5'  )                       
         ( resi 10 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 10 and name P    )                        
         ( resi 10 and name O5'  )                        
         ( resi 10 and name C5'  )                        
         ( resi 10 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 10 and name O5'  )                        
         ( resi 10 and name C5'  )                        
         ( resi 10 and name C4'  )                        
         ( resi 10 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 10 and name C4'  )                        
         ( resi 10 and name C3'  )                        
         ( resi 10 and name O3'  )                        
         ( resi 11 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 10 and name C3'  )                        
         ( resi 10 and name O3'  )                        
         ( resi 11 and name P    )                        
         ( resi 11 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 10 and name O3'  )                        
         ( resi 11 and name P    )                        
         ( resi 11 and name O5'  )                        
         ( resi 11 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 11 and name P    )                        
         ( resi 11 and name O5'  )                        
         ( resi 11 and name C5'  )                        
         ( resi 11 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 11 and name O5'  )                        
         ( resi 11 and name C5'  )                        
         ( resi 11 and name C4'  )                        
         ( resi 11 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 11 and name C4'  )                        
         ( resi 11 and name C3'  )                        
         ( resi 11 and name O3'  )                        
         ( resi 12 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 11 and name C3'  )                        
         ( resi 11 and name O3'  )                        
         ( resi 12 and name P    )                        
         ( resi 12 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 11 and name O3'  )                        
         ( resi 12 and name P    )                        
         ( resi 12 and name O5'  )                        
         ( resi 12 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 12 and name P    )                        
         ( resi 12 and name O5'  )                        
         ( resi 12 and name C5'  )                        
         ( resi 12 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 12 and name O5'  )                        
         ( resi 12 and name C5'  )                        
         ( resi 12 and name C4'  )                        
         ( resi 12 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 12 and name C4'  )                       
         ( resi 12 and name C3'  )                        
         ( resi 12 and name O3'  )                        
         ( resi 13 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 12 and name C3'  )                        
         ( resi 12 and name O3'  )                        
         ( resi 13 and name P    )                        
         ( resi 13 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 12 and name O3'  )                        
         ( resi 13 and name P    )                        
         ( resi 13 and name O5'  )                        
         ( resi 13 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 13 and name P    )                        
         ( resi 13 and name O5'  )                        
         ( resi 13 and name C5'  )                        
         ( resi 13 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 14 and name O5'  )                        
         ( resi 14 and name C5'  )                        
         ( resi 14 and name C4'  )                        
         ( resi 14 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 19 and name O5'  )                        
         ( resi 19 and name C5'  )                        
         ( resi 19 and name C4'  )                        
         ( resi 19 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
    		                                  
 assign  ( resi 19 and name C4'  )                        
         ( resi 19 and name C3'  )                        
         ( resi 19 and name O3'  )                        
         ( resi 20 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 19 and name C3'  )                        
         ( resi 19 and name O3'  )                        
         ( resi 20 and name P    )                        
         ( resi 20 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}

 assign  ( resi 19 and name O3'  )                        
         ( resi 20  and name P    )                       
         ( resi 20  and name O5'  )                       
         ( resi 20  and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 20  and name P    )                        
         ( resi 20  and name O5'  )                        
         ( resi 20  and name C5'  )                        
         ( resi 20  and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 20 and name O5'  )                        
         ( resi 20 and name C5'  )                        
         ( resi 20 and name C4'  )                        
         ( resi 20 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                                  	      
 assign  ( resi 20 and name C4'  )                        
         ( resi 20 and name C3'  )                        
         ( resi 20 and name O3'  )                        
         ( resi 21 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 20 and name C3'  )                        
         ( resi 20 and name O3'  )                        
         ( resi 21 and name P    )                        
         ( resi 21 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                           
 assign  ( resi 20 and name O3'  )                        
         ( resi 21 and name P    )                        
         ( resi 21 and name O5'  )                        
         ( resi 21 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 21 and name P    )                        
         ( resi 21 and name O5'  )                        
         ( resi 21 and name C5'  )                        
         ( resi 21 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	                           
 assign  ( resi 21 and name O5'  )                        
         ( resi 21 and name C5'  )                        
         ( resi 21 and name C4'  )                        
         ( resi 21 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                           
 assign  ( resi 21 and name C4'  )                        
         ( resi 21 and name C3'  )                        
         ( resi 21 and name O3'  )                        
         ( resi 22 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 21 and name C3'  )                        
         ( resi 21 and name O3'  )                        
         ( resi 22 and name P    )                        
         ( resi 22 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	                               
 assign  ( resi 21 and name O3'  )                        
         ( resi 22 and name P    )                        
         ( resi 22 and name O5'  )                        
         ( resi 22 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
     	                           
 assign  ( resi 22 and name P    )                        
         ( resi 22 and name O5'  )                        
         ( resi 22 and name C5'  )                        
         ( resi 22 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 22 and name O5'  )                        
         ( resi 22 and name C5'  )                        
         ( resi 22 and name C4'  )                        
         ( resi 22 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                            	 
 assign  ( resi 22  and name C4'  )                        
         ( resi 22  and name C3'  )                        
         ( resi 22  and name O3'  )                        
         ( resi 23  and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 22  and name C3'  )                        
         ( resi 22  and name O3'  )                        
         ( resi 23  and name P    )                        
         ( resi 23  and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                           
 assign  ( resi 22  and name O3'  )                        
         ( resi 23  and name P    )                        
         ( resi 23  and name O5'  )                        
         ( resi 23  and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 23  and name P    )                        
         ( resi 23  and name O5'  )                        
         ( resi 23  and name C5'  )                        
         ( resi 23  and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 23  and name O5'  )                        
         ( resi 23  and name C5'  )                        
         ( resi 23  and name C4'  )                        
         ( resi 23  and name C3'  )    1.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 27 and name O5'  )                        
         ( resi 27 and name C5'  )                        
         ( resi 27 and name C4'  )                        
         ( resi 27 and name C3'  )    1.0   47.44    20.0  2 {*gamma*}
       		                           
 assign  ( resi 27 and name C4'  )                        
         ( resi 27 and name C3'  )                        
         ( resi 27 and name O3'  )                        
         ( resi 28 and name P    )    1.0   -151.7   20.0  2 {*epsilon*}
	      		                           
 assign  ( resi 27 and name C3'  )                        
         ( resi 27 and name O3'  )                        
         ( resi 28 and name P    )                        
         ( resi 28 and name O5'  )    1.0   -73.6    20.0  2 {*zeta*}
	      		                          
 assign  ( resi 27 and name O3'  )                        
         ( resi 28 and name P    )                        
         ( resi 28 and name O5'  )                        
         ( resi 28 and name C5'  )    1.0   -62.1    20.0  2 {*alpha*}
	      	                           
 assign  ( resi 28 and name P    )                        
         ( resi 28 and name O5'  )                        
         ( resi 28 and name C5'  )                        
         ( resi 28 and name C4'  )    1.0   -179.9   20.0  2 {*beta*}
	      		                           
 assign  ( resi 28 and name O5'  )                        
         ( resi 28 and name C5'  )                        
         ( resi 28 and name C4'  )                        
         ( resi 28 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 28 and name C4'  )                        
         ( resi 28 and name C3'  )                        
         ( resi 28 and name O3'  )                        
         ( resi 29 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 28 and name C3'  )                        
         ( resi 28 and name O3'  )                        
         ( resi 29 and name P    )                        
         ( resi 29 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 28 and name O3'  )                        
         ( resi 29 and name P    )                        
         ( resi 29 and name O5'  )                        
         ( resi 29 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 29 and name P    )                        
         ( resi 29 and name O5'  )                        
         ( resi 29 and name C5'  )                        
         ( resi 29 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 29 and name O5'  )                        
         ( resi 29 and name C5'  )                        
         ( resi 29 and name C4'  )                        
         ( resi 29 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 29 and name C4'  )                        
         ( resi 29 and name C3'  )                        
         ( resi 29 and name O3'  )                        
         ( resi 30 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 29 and name C3'  )                        
         ( resi 29 and name O3'  )                        
         ( resi 30 and name P    )                        
         ( resi 30 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 29 and name O3'  )                        
         ( resi 30 and name P    )                        
         ( resi 30 and name O5'  )                        
         ( resi 30 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 30 and name P    )                        
         ( resi 30 and name O5'  )                        
         ( resi 30 and name C5'  )                        
         ( resi 30 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 30 and name O5'  )                        
         ( resi 30 and name C5'  )                        
         ( resi 30 and name C4'  )                        
         ( resi 30 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 30 and name C4'  )                        
         ( resi 30 and name C3'  )                        
         ( resi 30 and name O3'  )                        
         ( resi 31 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 30 and name C3'  )                        
         ( resi 30 and name O3'  )                        
         ( resi 31 and name P    )                        
         ( resi 31 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 30 and name O3'  )                        
         ( resi 31 and name P    )                        
         ( resi 31 and name O5'  )                        
         ( resi 31 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 31 and name P    )                        
         ( resi 31 and name O5'  )                        
         ( resi 31 and name C5'  )                        
         ( resi 31 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 31 and name O5'  )                        
         ( resi 31 and name C5'  )                        
         ( resi 31 and name C4'  )                        
         ( resi 31 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
       		                           
 assign  ( resi 31 and name C4'  )                        
         ( resi 31 and name C3'  )                        
         ( resi 31 and name O3'  )                        
         ( resi 32 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 31 and name C3'  )                        
         ( resi 31 and name O3'  )                        
         ( resi 32 and name P    )                        
         ( resi 32 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                          
 assign  ( resi 31 and name O3'  )                        
         ( resi 32 and name P    )                        
         ( resi 32 and name O5'  )                        
         ( resi 32 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 32 and name P    )                        
         ( resi 32 and name O5'  )                        
         ( resi 32 and name C5'  )                        
         ( resi 32 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}
	      		                           
 assign  ( resi 32 and name O5'  )                        
         ( resi 32 and name C5'  )                        
         ( resi 32 and name C4'  )                        
         ( resi 32 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
	      		                           
 assign  ( resi 32 and name C4'  )                        
         ( resi 32 and name C3'  )                        
         ( resi 32 and name O3'  )                        
         ( resi 33 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 32 and name C3'  )                        
         ( resi 32 and name O3'  )                        
         ( resi 33 and name P    )                        
         ( resi 33 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                           
 assign  ( resi 32 and name O3'  )                        
         ( resi 33 and name P    )                        
         ( resi 33 and name O5'  )                        
         ( resi 33 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
     	                           
 assign  ( resi 33 and name P    )                        
         ( resi 33 and name O5'  )                        
         ( resi 33 and name C5'  )                        
         ( resi 33 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 33 and name O5'  )                        
         ( resi 33 and name C5'  )                        
         ( resi 33 and name C4'  )                        
         ( resi 33 and name C3'  )    1.0   47.44    10.0  2 {*gamma*}
 	      		                           
 assign  ( resi 33 and name C4'  )                        
         ( resi 33 and name C3'  )                        
         ( resi 33 and name O3'  )                        
         ( resi 34 and name P    )    1.0   -151.7   10.0  2 {*epsilon*}
	      		                           
 assign  ( resi 33 and name C3'  )                        
         ( resi 33 and name O3'  )                        
         ( resi 34 and name P    )                        
         ( resi 34 and name O5'  )    1.0   -73.6    10.0  2 {*zeta*}
	      		                           
 assign  ( resi 33 and name O3'  )                        
         ( resi 34 and name P    )                        
         ( resi 34 and name O5'  )                        
         ( resi 34 and name C5'  )    1.0   -62.1    10.0  2 {*alpha*}
	      	                           
 assign  ( resi 34 and name P    )                        
         ( resi 34 and name O5'  )                        
         ( resi 34 and name C5'  )                        
         ( resi 34 and name C4'  )    1.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 34  and name O5'  )                        
         ( resi 34  and name C5'  )                        
         ( resi 34  and name C4'  )                        
         ( resi 34  and name C3'  )    1.0   47.44    10.0  2 {*gamma*}


{* loop angles *}

 assign  ( resi 14 and name C3'  )                        
         ( resi 14 and name O3'  )                        
         ( resi 15 and name P    )                        
         ( resi 15 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 14 and name O3'  )                        
         ( resi 15 and name P    )                        
         ( resi 15 and name O5'  )                        
         ( resi 15 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 15 and name C3'  )                        
         ( resi 15 and name O3'  )                        
         ( resi 16 and name P    )                        
         ( resi 16 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 15 and name O3'  )                        
         ( resi 16 and name P    )                        
         ( resi 16 and name O5'  )                        
         ( resi 16 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 16 and name C3'  )                        
         ( resi 16 and name O3'  )                        
         ( resi 17 and name P    )                        
         ( resi 17 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 16 and name O3'  )                        
         ( resi 17 and name P    )                        
         ( resi 17 and name O5'  )                        
         ( resi 17 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 17 and name C3'  )                        
         ( resi 17 and name O3'  )                        
         ( resi 18 and name P    )                        
         ( resi 18 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 17 and name O3'  )                        
         ( resi 18 and name P    )                        
         ( resi 18 and name O5'  )                        
         ( resi 18 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 18 and name C3'  )                        
         ( resi 18 and name O3'  )                        
         ( resi 19 and name P    )                        
         ( resi 19 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 18 and name O3'  )                        
         ( resi 19 and name P    )                        
         ( resi 19 and name O5'  )                        
         ( resi 19 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 23 and name C3'  )                        
         ( resi 23 and name O3'  )                        
         ( resi 24 and name P    )                        
         ( resi 24 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 23 and name O3'  )                        
         ( resi 24 and name P    )                        
         ( resi 24 and name O5'  )                        
         ( resi 24 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 24 and name C3'  )                        
         ( resi 24 and name O3'  )                        
         ( resi 25 and name P    )                        
         ( resi 25 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 24 and name O3'  )                        
         ( resi 25 and name P    )                        
         ( resi 25 and name O5'  )                        
         ( resi 25 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}

 assign  ( resi 25 and name C3'  )                        
         ( resi 25 and name O3'  )                        
         ( resi 26 and name P    )                        
         ( resi 26 and name O5'  )    1.0   -73.6    50.0  2 {*zeta*}

 assign  ( resi 25 and name O3'  )                        
         ( resi 26 and name P    )                        
         ( resi 26 and name O5'  )                        
         ( resi 26 and name C5'  )    1.0   -62.1    50.0  2 {*alpha*}




{* sugar pucker constraints in D5 *}

{* nassign=1000 *}
 assign ( resi   1 and name C5'  )
        ( resi   1 and name C4'  )
        ( resi   1 and name C3'  )
        ( resi   1 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    1 and name O4'  )                         
        (resi    1 and name C1'  )                         
        (resi    1 and name C2'  )                        
        (resi    1 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 1 and name C1'  )                        
         ( resi 1 and name C2'  )                        
         ( resi 1 and name C3'  )                        
         ( resi 1 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   2 and name C5'  )
        ( resi   2 and name C4'  )
        ( resi   2 and name C3'  )
        ( resi   2 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    2 and name O4'  )                         
        (resi    2 and name C1'  )                         
        (resi    2 and name C2'  )                        
        (resi    2 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 2 and name C1'  )                        
         ( resi 2 and name C2'  )                        
         ( resi 2 and name C3'  )                        
         ( resi 2 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   3 and name C5'  )
        ( resi   3 and name C4'  )
        ( resi   3 and name C3'  )
        ( resi   3 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    3 and name O4'  )                         
        (resi    3 and name C1'  )                         
        (resi    3 and name C2'  )                        
        (resi    3 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 3 and name C1'  )                        
         ( resi 3 and name C2'  )                        
         ( resi 3 and name C3'  )                        
         ( resi 3 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   4 and name C5'  )
        ( resi   4 and name C4'  )
        ( resi   4 and name C3'  )
        ( resi   4 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    4 and name O4'  )                         
        (resi    4 and name C1'  )                         
        (resi    4 and name C2'  )                        
        (resi    4 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 4 and name C1'  )                        
         ( resi 4 and name C2'  )                        
         ( resi 4 and name C3'  )                        
         ( resi 4 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   5 and name C5'  )
        ( resi   5 and name C4'  )
        ( resi   5 and name C3'  )
        ( resi   5 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    5 and name O4'  )                         
        (resi    5 and name C1'  )                         
        (resi    5 and name C2'  )                        
        (resi    5 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 5 and name C1'  )                        
         ( resi 5 and name C2'  )                        
         ( resi 5 and name C3'  )                        
         ( resi 5 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   6 and name C5'  )
        ( resi   6 and name C4'  )
        ( resi   6 and name C3'  )
        ( resi   6 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    6 and name O4'  )                         
        (resi    6 and name C1'  )                         
        (resi    6 and name C2'  )                        
        (resi    6 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 6 and name C1'  )                        
         ( resi 6 and name C2'  )                        
         ( resi 6 and name C3'  )                        
         ( resi 6 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   7 and name C5'  )
        ( resi   7 and name C4'  )
        ( resi   7 and name C3'  )
        ( resi   7 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    7 and name O4'  )                         
        (resi    7 and name C1'  )                         
        (resi    7 and name C2'  )                        
        (resi    7 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 7 and name C1'  )                        
         ( resi 7 and name C2'  )                        
         ( resi 7 and name C3'  )                        
         ( resi 7 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   8 and name C5'  )
        ( resi   8 and name C4'  )
        ( resi   8 and name C3'  )
        ( resi   8 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    8 and name O4'  )                         
        (resi    8 and name C1'  )                         
        (resi    8 and name C2'  )                        
        (resi    8 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 8 and name C1'  )                        
         ( resi 8 and name C2'  )                        
         ( resi 8 and name C3'  )                        
         ( resi 8 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   9 and name C5'  )
        ( resi   9 and name C4'  )
        ( resi   9 and name C3'  )
        ( resi   9 and name O3'  )    1.0    83.5      10.0  2 {*delta*}

 assign (resi    9 and name O4'  )                         
        (resi    9 and name C1'  )                         
        (resi    9 and name C2'  )                        
        (resi    9 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 9 and name C1'  )                        
         ( resi 9 and name C2'  )                        
         ( resi 9 and name C3'  )                        
         ( resi 9 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   10 and name C5'  )
        ( resi   10 and name C4'  )
        ( resi   10 and name C3'  )
        ( resi   10 and name O3'  )    1.0   83.5      10.0  2 {*delta*}

 assign (resi    10 and name O4'  )                         
        (resi    10 and name C1'  )                         
        (resi    10 and name C2'  )                        
        (resi    10 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 10 and name C1'  )                       
         ( resi 10 and name C2'  )                       
         ( resi 10 and name C3'  )                       
         ( resi 10 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   11 and name C5'  )
        ( resi   11 and name C4'  )
        ( resi   11 and name C3'  )
        ( resi   11 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    11 and name O4'  )                         
        (resi    11 and name C1'  )                         
        (resi    11 and name C2'  )                        
        (resi    11 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 11 and name C1'  )                        
         ( resi 11 and name C2'  )                        
         ( resi 11 and name C3'  )                        
         ( resi 11 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   12 and name C5'  )
        ( resi   12 and name C4'  )
        ( resi   12 and name C3'  )
        ( resi   12 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    12 and name O4'  )                         
        (resi    12 and name C1'  )                         
        (resi    12 and name C2'  )                        
        (resi    12 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 12 and name C1'  )                        
         ( resi 12 and name C2'  )                        
         ( resi 12 and name C3'  )                        
         ( resi 12 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   13 and name C5'  )
        ( resi   13 and name C4'  )
        ( resi   13 and name C3'  )
        ( resi   13 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    13 and name O4'  )                         
        (resi    13 and name C1'  )                         
        (resi    13 and name C2'  )                        
        (resi    13 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 13 and name C1'  )                        
         ( resi 13 and name C2'  )                        
         ( resi 13 and name C3'  )                        
         ( resi 13 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   14 and name C5'  )
        ( resi   14 and name C4'  )
        ( resi   14 and name C3'  )
        ( resi   14 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    14 and name O4'  )                         
        (resi    14 and name C1'  )                         
        (resi    14 and name C2'  )                        
        (resi    14 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                                  
 assign  ( resi 14 and name C1'  )                        
         ( resi 14 and name C2'  )                        
         ( resi 14 and name C3'  )                        
         ( resi 14 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   16 and name C5'  ) 
        ( resi   16 and name C4'  ) 
        ( resi   16 and name C3'  ) 
        ( resi   16 and name O3'  )    1.0   156.4     10.0  2 {*delta/south*} 

 assign (resi    16 and name O4'  )                         
        (resi    16 and name C1'  )                         
        (resi    16 and name C2'  )                         
        (resi    16 and name C3'  )    1.0    25.0      10.0  2 {*south*}  

 assign  ( resi 16 and name C1'  )                        
         ( resi 16 and name C2'  )                        
         ( resi 16 and name C3'  )                        
         ( resi 16 and name C4'  )    1.0    -35.0    10.0  2 {*south*}

 assign ( resi   19 and name C5'  )
        ( resi   19 and name C4'  )
        ( resi   19 and name C3'  )
        ( resi   19 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    19 and name O4'  )                         
        (resi    19 and name C1'  )                         
        (resi    19 and name C2'  )                        
        (resi    19 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 19 and name C1'  )                        
         ( resi 19 and name C2'  )                        
         ( resi 19 and name C3'  )                        
         ( resi 19 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   20 and name C5'  )
        ( resi   20 and name C4'  )
        ( resi   20 and name C3'  )
        ( resi   20 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    20 and name O4'  )                         
        (resi    20 and name C1'  )                         
        (resi    20 and name C2'  )                        
        (resi    20 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 20 and name C1'  )                        
         ( resi 20 and name C2'  )                        
         ( resi 20 and name C3'  )                        
         ( resi 20 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   21 and name C5'  )
        ( resi   21 and name C4'  )
        ( resi   21 and name C3'  )
        ( resi   21 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    21 and name O4'  )                         
        (resi    21 and name C1'  )                         
        (resi    21 and name C2'  )                        
        (resi    21 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 21 and name C1'  )                        
         ( resi 21 and name C2'  )                        
         ( resi 21 and name C3'  )                        
         ( resi 21 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   22 and name C5'  )
        ( resi   22 and name C4'  )
        ( resi   22 and name C3'  )
        ( resi   22 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    22 and name O4'  )                         
        (resi    22 and name C1'  )                         
        (resi    22 and name C2'  )                        
        (resi    22 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 22  and name C1'  )                        
         ( resi 22  and name C2'  )                        
         ( resi 22  and name C3'  )                        
         ( resi 22  and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   23 and name C5'  )
        ( resi   23 and name C4'  )
        ( resi   23 and name C3'  )
        ( resi   23 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    23 and name O4'  )                         
        (resi    23 and name C1'  )                         
        (resi    23 and name C2'  )                        
        (resi    23 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                                  
 assign  ( resi 23  and name C1'  )                        
         ( resi 23  and name C2'  )                        
         ( resi 23  and name C3'  )                        
         ( resi 23  and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   24 and name C5'  )
        ( resi   24 and name C4'  )
        ( resi   24 and name C3'  )
        ( resi   24 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    24 and name O4'  )                         
        (resi    24 and name C1'  )                         
        (resi    24 and name C2'  )                        
        (resi    24 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                                  
 assign  ( resi 24  and name C1'  )                        
         ( resi 24  and name C2'  )                        
         ( resi 24  and name C3'  )                        
         ( resi 24  and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   25 and name C5'  )
        ( resi   25 and name C4'  )
        ( resi   25 and name C3'  )
        ( resi   25 and name O3'  )    1.0   145.0     10.0  2 {*delta/south*}

 assign (resi    25 and name O4'  )                         			
        (resi    25 and name C1'  )                         			
        (resi    25 and name C2'  )                        			
        (resi    25 and name C3'  )    1.0    21.0      10.0  2 {*nu1/south*}
	      		                           
 assign  ( resi 25 and name C1'  )                        
         ( resi 25 and name C2'  )                        
         ( resi 25 and name C3'  )                        
         ( resi 25 and name C4'  )    1.0    -37.0    10.0  2 {*nu2/south*}

 assign ( resi   26 and name C5'  )
        ( resi   26 and name C4'  )
        ( resi   26 and name C3'  )
        ( resi   26 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    26 and name O4'  )                         
        (resi    26 and name C1'  )                         
        (resi    26 and name C2'  )                        
        (resi    26 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 26 and name C1'  )                        
         ( resi 26 and name C2'  )                        
         ( resi 26 and name C3'  )                        
         ( resi 26 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   27 and name C5'  )
        ( resi   27 and name C4'  )
        ( resi   27 and name C3'  )
        ( resi   27 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    27 and name O4'  )                         
        (resi    27 and name C1'  )                         
        (resi    27 and name C2'  )                        
        (resi    27 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 27 and name C1'  )                        
         ( resi 27 and name C2'  )                        
         ( resi 27 and name C3'  )                        
         ( resi 27 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   28 and name C5'  )
        ( resi   28 and name C4'  )
        ( resi   28 and name C3'  )
        ( resi   28 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    28 and name O4'  )                         
        (resi    28 and name C1'  )                         
        (resi    28 and name C2'  )                        
        (resi    28 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 28 and name C1'  )                        
         ( resi 28 and name C2'  )                        
         ( resi 28 and name C3'  )                        
         ( resi 28 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   29 and name C5'  )
        ( resi   29 and name C4'  )
        ( resi   29 and name C3'  )
        ( resi   29 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    29 and name O4'  )                         
        (resi    29 and name C1'  )                         
        (resi    29 and name C2'  )                        
        (resi    29 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 29 and name C1'  )                        
         ( resi 29 and name C2'  )                        
         ( resi 29 and name C3'  )                        
         ( resi 29 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   30 and name C5'  )
        ( resi   30 and name C4'  )
        ( resi   30 and name C3'  )
        ( resi   30 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    30 and name O4'  )                         
        (resi    30 and name C1'  )                         
        (resi    30 and name C2'  )                        
        (resi    30 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 30 and name C1'  )                        
         ( resi 30 and name C2'  )                        
         ( resi 30 and name C3'  )                        
         ( resi 30 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   31 and name C5'  )
        ( resi   31 and name C4'  )
        ( resi   31 and name C3'  )
        ( resi   31 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    31 and name O4'  )                         
        (resi    31 and name C1'  )                         
        (resi    31 and name C2'  )                        
        (resi    31 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 31 and name C1'  )                        
         ( resi 31 and name C2'  )                        
         ( resi 31 and name C3'  )                        
         ( resi 31 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   32 and name C5'  )
        ( resi   32 and name C4'  )
        ( resi   32 and name C3'  )
        ( resi   32 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    32 and name O4'  )                         
        (resi    32 and name C1'  )                         
        (resi    32 and name C2'  )                        
        (resi    32 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 32 and name C1'  )                        
         ( resi 32 and name C2'  )                        
         ( resi 32 and name C3'  )                        
         ( resi 32 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   33 and name C5'  )
        ( resi   33 and name C4'  )
        ( resi   33 and name C3'  )
        ( resi   33 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    33 and name O4'  )                         
        (resi    33 and name C1'  )                         
        (resi    33 and name C2'  )                        
        (resi    33 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                           
 assign  ( resi 33 and name C1'  )                        
         ( resi 33 and name C2'  )                        
         ( resi 33 and name C3'  )                        
         ( resi 33 and name C4'  )    1.0   37.27    10.0  2 {*nu2*}

 assign ( resi   34 and name C5'  )
        ( resi   34 and name C4'  )
        ( resi   34 and name C3'  )
        ( resi   34 and name O3'  )    1.0    83.5     10.0  2 {*delta*}

 assign (resi    34 and name O4'  )                         
        (resi    34 and name C1'  )                         
        (resi    34 and name C2'  )                        
        (resi    34 and name C3'  )    1.0   -25.0      10.0  2 {*nu1*}  
	      		                                  
 assign  ( resi 34  and name C1'  )                        
         ( resi 34  and name C2'  )                        
         ( resi 34  and name C3'  )                        
         ( resi 34  and name C4'  )    1.0   37.27    10.0  2 {*nu2*}


{* chi angles to define trans or syn conformation of nucleobases *}

{* nassign=1000 *}
 assign ( resi 1 and name O4'  )
        ( resi 1 and name C1'  )
        ( resi 1 and name N9   )
        ( resi 1 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 2 and name O4'  )
        ( resi 2 and name C1'  )
        ( resi 2 and name N9   )
        ( resi 2 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 3 and name O4'  )
        ( resi 3 and name C1'  )
        ( resi 3 and name N9   )
        ( resi 3 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 4 and name O4'  )
        ( resi 4 and name C1'  )
        ( resi 4 and name N1   )
        ( resi 4 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 5 and name O4'  )
        ( resi 5 and name C1'  )
        ( resi 5 and name N1   )
        ( resi 5 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 6 and name O4'  )
        ( resi 6 and name C1'  )
        ( resi 6 and name N9   )
        ( resi 6 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 7 and name O4'  )
        ( resi 7 and name C1'  )
        ( resi 7 and name N1   )
        ( resi 7 and name C2   )    1.0   -160.0   10.0  2 {*chi*}

 assign ( resi 8 and name O4'  )
        ( resi 8 and name C1'  )
        ( resi 8 and name N9   )
        ( resi 8 and name C4   )    1.0   -160.0   10.0  2 {*chi*}

 assign ( resi 9 and name O4'  )
        ( resi 9 and name C1'  )
        ( resi 9 and name N1   )
        ( resi 9 and name C2   )    1.0   -160.0   10.0  2 {*chi*}

 assign ( resi 10 and name O4'  )
        ( resi 10 and name C1'  )
        ( resi 10 and name N9   )
        ( resi 10 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 11 and name O4'  )
        ( resi 11 and name C1'  )
        ( resi 11 and name N1   )
        ( resi 11 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 12 and name O4'  )
        ( resi 12 and name C1'  )
        ( resi 12 and name N9   )
        ( resi 12 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 13 and name O4'  )
        ( resi 13 and name C1'  )
        ( resi 13 and name N9   )
        ( resi 13 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 14 and name O4'  )
        ( resi 14 and name C1'  )
        ( resi 14 and name N1   )
        ( resi 14 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 15 and name O4'  )
        ( resi 15 and name C1'  )
        ( resi 15 and name N9   )
        ( resi 15 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 16 and name O4'  )
        ( resi 16 and name C1'  )
        ( resi 16 and name N9   )
        ( resi 16 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 17 and name O4'  )
        ( resi 17 and name C1'  )
        ( resi 17 and name N9   )
        ( resi 17 and name C4   )    1.0   -160.0  60.0  2 {*chi*}

 assign ( resi 18 and name O4'  )
        ( resi 18 and name C1'  )
        ( resi 18 and name N9   )
        ( resi 18 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 19 and name O4'  )
        ( resi 19 and name C1'  )
        ( resi 19 and name N9   )
        ( resi 19 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 20 and name O4'  )
        ( resi 20 and name C1'  )
        ( resi 20 and name N1   )
        ( resi 20 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 21 and name O4'  )
        ( resi 21 and name C1'  )
        ( resi 21 and name N1   )
        ( resi 21 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 22 and name O4'  )
        ( resi 22 and name C1'  )
        ( resi 22 and name N9   )
        ( resi 22 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 23 and name O4'  )
        ( resi 23 and name C1'  )
        ( resi 23 and name N1   )
        ( resi 23 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 24 and name O4'  )
        ( resi 24 and name C1'  )
        ( resi 24 and name N9   )
        ( resi 24 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 25 and name O4'  )
        ( resi 25 and name C1'  )
        ( resi 25 and name N1   )
        ( resi 25 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 26 and name O4'  )
        ( resi 26 and name C1'  )
        ( resi 26 and name N1   )
        ( resi 26 and name C2   )    1.0     70.0  30.0  2 {*chi*}

 assign ( resi 27 and name O4'  )
        ( resi 27 and name C1'  )
        ( resi 27 and name N1   )
        ( resi 27 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 28 and name O4'  )
        ( resi 28 and name C1'  )
        ( resi 28 and name N9   )
        ( resi 28 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 29 and name O4'  )
        ( resi 29 and name C1'  )
        ( resi 29 and name N1   )
        ( resi 29 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 30 and name O4'  )
        ( resi 30 and name C1'  )
        ( resi 30 and name N9   )
        ( resi 30 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 31 and name O4'  )
        ( resi 31 and name C1'  )
        ( resi 31 and name N9   )
        ( resi 31 and name C4   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 32 and name O4'  )
        ( resi 32 and name C1'  )
        ( resi 32 and name N1   )
        ( resi 32 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 33 and name O4'  )
        ( resi 33 and name C1'  )
        ( resi 33 and name N1   )
        ( resi 33 and name C2   )    1.0   -160.0  10.0  2 {*chi*}

 assign ( resi 34 and name O4'  )
        ( resi 34 and name C1'  )
        ( resi 34 and name N1   )
        ( resi 34 and name C2   )    1.0   -160.0  10.0  2 {*chi*}



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  14.031 -32.315   7.222
    2   2H5*    G   1          2H5*        G   1  14.338 -31.667   5.601
    3    H4*    G   1           H4*        G   1  12.780 -33.275   5.167
    4    H3*    G   1           H3*        G   1  11.355 -30.655   5.448
    5    H2*    G   1           H2*        G   1   9.233 -31.776   5.194
    6   2HO*    G   1          2HO*        G   1  10.553 -33.425   3.737
    7    H1*    G   1           H1*        G   1   9.769 -33.802   6.995
    8    H8     G   1           H8         G   1  11.666 -30.947   8.382
    9    H1     G   1           H1         G   1   5.363 -30.512   9.478
   10   1H2     G   1          1H2         G   1   5.103 -33.071   7.156
   11   2H2     G   1          2H2         G   1   4.277 -31.987   8.253
   12    H5T    G   1           H5T        G   1  13.361 -30.422   7.788
   13   1H5*    A   2          1H5*        A   2   9.432 -32.112   2.085
   14   2H5*    A   2          2H5*        A   2   9.588 -30.905   0.795
   15    H4*    A   2           H4*        A   2   7.294 -31.423   1.012
   16    H3*    A   2           H3*        A   2   7.925 -28.710   2.161
   17    H2*    A   2           H2*        A   2   5.568 -28.452   2.600
   18   2HO*    A   2          2HO*        A   2   5.362 -30.111   0.541
   19    H1*    A   2           H1*        A   2   5.248 -31.040   3.637
   20    H8     A   2           H8         A   2   8.520 -30.032   4.965
   21   1H6     A   2          1H6         A   2   7.106 -27.345   8.745
   22   2H6     A   2          2H6         A   2   5.573 -26.646   9.222
   23    H2     A   2           H2         A   2   2.588 -27.856   6.100
   24   1H5*    G   3          1H5*        G   3   4.821 -28.924  -0.847
   25   2H5*    G   3          2H5*        G   3   4.933 -27.585  -2.003
   26    H4*    G   3           H4*        G   3   2.639 -27.982  -1.409
   27    H3*    G   3           H3*        G   3   3.784 -25.363  -0.498
   28    H2*    G   3           H2*        G   3   1.659 -24.822   0.522
   29   2HO*    G   3          2HO*        G   3   0.756 -26.513  -1.331
   30    H1*    G   3           H1*        G   3   1.343 -27.263   1.790
   31    H8     G   3           H8         G   3   5.008 -26.767   1.779
   32    H1     G   3           H1         G   3   2.005 -23.172   6.160
   33   1H2     G   3          1H2         G   3  -0.862 -24.039   4.452
   34   2H2     G   3          2H2         G   3  -0.156 -23.156   5.786
   35   1H5*    C   4          1H5*        C   4   0.133 -24.874  -1.611
   36   2H5*    C   4          2H5*        C   4  -0.247 -23.539  -2.715
   37    H4*    C   4           H4*        C   4  -1.665 -23.453  -0.772
   38    H3*    C   4           H3*        C   4   0.286 -21.198  -1.093
   39    H2*    C   4           H2*        C   4  -0.506 -20.234   0.968
   40   2HO*    C   4          2HO*        C   4  -2.608 -20.521   1.226
   41    H1*    C   4           H1*        C   4  -0.469 -22.596   2.421
   42   1H4     C   4          1H4         C   4   5.891 -21.003   1.808
   43   2H4     C   4          2H4         C   4   5.331 -20.091   3.188
   44    H5     C   4           H5         C   4   4.418 -22.290   0.393
   45    H6     C   4           H6         C   4   2.111 -22.966   0.014
   46   1H5*    C   5          1H5*        C   5  -3.678 -19.638  -0.484
   47   2H5*    C   5          2H5*        C   5  -4.005 -18.245  -1.533
   48    H4*    C   5           H4*        C   5  -4.564 -17.728   0.752
   49    H3*    C   5           H3*        C   5  -2.318 -16.182  -0.475
   50    H2*    C   5           H2*        C   5  -1.861 -15.089   1.613
   51   2HO*    C   5          2HO*        C   5  -3.510 -14.688   2.879
   52    H1*    C   5           H1*        C   5  -2.104 -17.333   3.237
   53   1H4     C   5          1H4         C   5   3.798 -18.140   0.462
   54   2H4     C   5          2H4         C   5   4.084 -17.098   1.837
   55    H5     C   5           H5         C   5   1.588 -18.781  -0.269
   56    H6     C   5           H6         C   5  -0.803 -18.527   0.153
   57   1H5*    G   6          1H5*        G   6  -4.925 -13.864   1.813
   58   2H5*    G   6          2H5*        G   6  -5.396 -12.309   1.100
   59    H4*    G   6           H4*        G   6  -4.682 -12.015   3.387
   60    H3*    G   6           H3*        G   6  -3.016 -10.718   1.270
   61    H2*    G   6           H2*        G   6  -1.417  -9.987   2.920
   62   2HO*    G   6          2HO*        G   6  -2.118  -9.614   4.882
   63    H1*    G   6           H1*        G   6  -1.172 -12.410   4.197
   64    H8     G   6           H8         G   6  -1.941 -13.423   0.725
   65    H1     G   6           H1         G   6   4.041 -11.255   1.386
   66   1H2     G   6          1H2         G   6   2.950 -10.174   4.508
   67   2H2     G   6          2H2         G   6   4.281 -10.295   3.382
   68   1H5*    U   7          1H5*        U   7  -2.930  -8.179   4.462
   69   2H5*    U   7          2H5*        U   7  -3.424  -6.545   3.981
   70    H4*    U   7           H4*        U   7  -1.350  -6.464   5.194
   71    H3*    U   7           H3*        U   7  -1.289  -5.627   2.332
   72    H2*    U   7           H2*        U   7   1.098  -5.403   2.359
   73   2HO*    U   7          2HO*        U   7   2.094  -4.907   4.167
   74    H1*    U   7           H1*        U   7   1.663  -7.740   3.737
   75    H3     U   7           H3         U   7   2.735  -8.535  -0.585
   76    H5     U   7           H5         U   7  -1.384  -9.228  -0.357
   77    H6     U   7           H6         U   7  -1.333  -8.324   1.869
   78   1H5*    A   8          1H5*        A   8   1.150  -3.622   4.580
   79   2H5*    A   8          2H5*        A   8   0.973  -1.860   4.667
   80    H4*    A   8           H4*        A   8   3.301  -2.485   4.489
   81    H3*    A   8           H3*        A   8   2.221  -1.054   2.057
   82    H2*    A   8           H2*        A   8   4.475  -1.067   1.219
   83   2HO*    A   8          2HO*        A   8   5.577  -0.497   3.105
   84    H1*    A   8           H1*        A   8   5.035  -3.695   2.222
   85    H8     A   8           H8         A   8   1.857  -4.100   0.442
   86   1H6     A   8          1H6         A   8   3.520  -4.438  -4.134
   87   2H6     A   8          2H6         A   8   5.037  -4.000  -4.872
   88    H2     A   8           H2         A   8   7.745  -2.575  -1.623
   89   1H5*    U   9          1H5*        U   9   5.069   1.146   3.066
   90   2H5*    U   9          2H5*        U   9   4.875   2.899   3.256
   91    H4*    U   9           H4*        U   9   6.592   2.497   1.661
   92    H3*    U   9           H3*        U   9   4.067   3.656   0.547
   93    H2*    U   9           H2*        U   9   4.876   3.441  -1.678
   94   2HO*    U   9          2HO*        U   9   7.141   4.086  -0.455
   95    H1*    U   9           H1*        U   9   6.531   1.134  -1.222
   96    H3     U   9           H3         U   9   3.666   0.303  -4.715
   97    H5     U   9           H5         U   9   1.697  -0.893  -1.207
   98    H6     U   9           H6         U   9   3.428   0.200   0.052
   99   1H5*    G  10          1H5*        G  10   6.336   5.568  -1.440
  100   2H5*    G  10          2H5*        G  10   6.575   7.283  -1.056
  101    H4*    G  10           H4*        G  10   6.228   6.927  -3.440
  102    H3*    G  10           H3*        G  10   4.188   8.575  -1.980
  103    H2*    G  10           H2*        G  10   2.936   8.813  -4.044
  104   2HO*    G  10          2HO*        G  10   5.344   8.213  -5.107
  105    H1*    G  10           H1*        G  10   2.889   6.123  -4.595
  106    H8     G  10           H8         G  10   3.159   6.126  -0.916
  107    H1     G  10           H1         G  10  -2.661   7.894  -2.912
  108   1H2     G  10          1H2         G  10  -1.194   8.072  -6.052
  109   2H2     G  10          2H2         G  10  -2.653   8.236  -5.097
  110   1H5*    C  11          1H5*        C  11   4.503  10.183  -5.669
  111   2H5*    C  11          2H5*        C  11   5.182  11.815  -5.520
  112    H4*    C  11           H4*        C  11   3.381  11.833  -7.100
  113    H3*    C  11           H3*        C  11   2.867  13.322  -4.545
  114    H2*    C  11           H2*        C  11   0.666  13.895  -5.349
  115   2HO*    C  11          2HO*        C  11   1.875  13.586  -7.718
  116    H1*    C  11           H1*        C  11   0.052  11.350  -6.317
  117   1H4     C  11          1H4         C  11  -0.649  10.769   0.212
  118   2H4     C  11          2H4         C  11  -2.165  11.426  -0.356
  119    H5     C  11           H5         C  11   1.275  10.464  -1.243
  120    H6     C  11           H6         C  11   2.123  10.761  -3.510
  121   1H5*    G  12          1H5*        G  12   1.751  15.407  -7.918
  122   2H5*    G  12          2H5*        G  12   2.150  17.135  -7.928
  123    H4*    G  12           H4*        G  12  -0.167  16.804  -8.496
  124    H3*    G  12           H3*        G  12   0.373  18.217  -5.906
  125    H2*    G  12           H2*        G  12  -1.986  18.335  -5.473
  126   2HO*    G  12          2HO*        G  12  -2.094  18.348  -8.129
  127    H1*    G  12           H1*        G  12  -2.587  15.731  -6.315
  128    H8     G  12           H8         G  12   0.699  15.919  -4.430
  129    H1     G  12           H1         G  12  -4.496  15.299  -0.724
  130   1H2     G  12          1H2         G  12  -6.259  15.935  -3.624
  131   2H2     G  12          2H2         G  12  -6.321  15.596  -1.911
  132   1H5*    A  13          1H5*        A  13  -2.630  20.254  -8.110
  133   2H5*    A  13          2H5*        A  13  -2.502  22.013  -7.928
  134    H4*    A  13           H4*        A  13  -4.728  21.109  -7.363
  135    H3*    A  13           H3*        A  13  -3.216  22.577  -5.207
  136    H2*    A  13           H2*        A  13  -5.124  22.270  -3.782
  137   2HO*    A  13          2HO*        A  13  -7.013  22.425  -4.737
  138    H1*    A  13           H1*        A  13  -5.703  19.637  -4.723
  139    H8     A  13           H8         A  13  -2.082  19.573  -4.010
  140   1H6     A  13          1H6         A  13  -2.169  18.811   0.711
  141   2H6     A  13          2H6         A  13  -3.403  18.776   1.944
  142    H2     A  13           H2         A  13  -7.226  19.934  -0.183
  143   1H5*    U  14          1H5*        U  14  -6.906  24.238  -4.904
  144   2H5*    U  14          2H5*        U  14  -6.739  25.989  -4.669
  145    H4*    U  14           H4*        U  14  -7.914  25.056  -2.810
  146    H3*    U  14           H3*        U  14  -5.120  25.953  -2.108
  147    H2*    U  14           H2*        U  14  -5.607  25.358   0.173
  148   2HO*    U  14          2HO*        U  14  -8.022  26.058  -0.476
  149    H1*    U  14           H1*        U  14  -6.967  22.967  -0.506
  150    H3     U  14           H3         U  14  -3.222  21.631   1.658
  151    H5     U  14           H5         U  14  -1.915  22.616  -2.195
  152    H6     U  14           H6         U  14  -4.121  23.438  -2.657
  153   1H5*    G  15          1H5*        G  15  -5.835  29.874   0.043
  154   2H5*    G  15          2H5*        G  15  -4.148  30.264  -0.341
  155    H4*    G  15           H4*        G  15  -4.969  29.470   2.070
  156    H3*    G  15           H3*        G  15  -2.284  29.028   0.787
  157    H2*    G  15           H2*        G  15  -1.643  27.796   2.782
  158   2HO*    G  15          2HO*        G  15  -3.449  29.305   3.924
  159    H1*    G  15           H1*        G  15  -3.893  26.210   2.780
  160    H8     G  15           H8         G  15  -3.575  26.662  -0.816
  161    H1     G  15           H1         G  15   1.109  22.981   1.519
  162   1H2     G  15          1H2         G  15   0.051  24.081   4.609
  163   2H2     G  15          2H2         G  15   1.173  23.108   3.689
  164   1H5*    A  16          1H5*        A  16  -0.257  28.221   1.558
  165   2H5*    A  16          2H5*        A  16  -0.384  29.300   2.963
  166    H4*    A  16           H4*        A  16   1.982  29.313   1.109
  167    H3*    A  16           H3*        A  16   1.495  27.057   2.525
  168    H2*    A  16           H2*        A  16   1.512  27.834   4.743
  169   2HO*    A  16          2HO*        A  16   3.819  26.946   4.117
  170    H1*    A  16           H1*        A  16   3.463  30.081   4.306
  171    H8     A  16           H8         A  16  -0.262  30.713   4.557
  172   1H6     A  16          1H6         A  16  -0.475  31.622   9.336
  173   2H6     A  16          2H6         A  16   0.708  31.516  10.621
  174    H2     A  16           H2         A  16   4.525  30.080   8.774
  175   1H5*    A  17          1H5*        A  17   4.610  24.016   2.828
  176   2H5*    A  17          2H5*        A  17   3.118  23.089   3.041
  177    H4*    A  17           H4*        A  17   4.657  24.430   4.993
  178    H3*    A  17           H3*        A  17   2.105  22.839   5.125
  179    H2*    A  17           H2*        A  17   1.646  23.763   7.252
  180   2HO*    A  17          2HO*        A  17   3.672  23.104   8.127
  181    H1*    A  17           H1*        A  17   3.294  26.163   6.830
  182    H8     A  17           H8         A  17   0.247  25.909   4.622
  183   1H6     A  17          1H6         A  17  -2.796  28.502   7.383
  184   2H6     A  17          2H6         A  17  -2.734  29.047   9.048
  185    H2     A  17           H2         A  17   1.156  27.592  10.734
  186   1H5*    A  18          1H5*        A  18   3.647  19.564   8.175
  187   2H5*    A  18          2H5*        A  18   2.134  18.697   7.849
  188    H4*    A  18           H4*        A  18   2.555  19.902  10.133
  189    H3*    A  18           H3*        A  18  -0.016  19.581   8.664
  190    H2*    A  18           H2*        A  18  -1.144  21.143  10.103
  191   2HO*    A  18          2HO*        A  18   0.599  20.278  11.851
  192    H1*    A  18           H1*        A  18   0.797  23.099  10.095
  193    H8     A  18           H8         A  18   0.917  21.308   6.763
  194   1H6     A  18          1H6         A  18  -2.191  24.116   4.326
  195   2H6     A  18          2H6         A  18  -3.275  25.405   4.807
  196    H2     A  18           H2         A  18  -2.792  25.926   9.237
  197   1H5*    G  19          1H5*        G  19  -2.058  19.781  11.698
  198   2H5*    G  19          2H5*        G  19  -2.679  18.162  12.074
  199    H4*    G  19           H4*        G  19  -4.607  19.381  11.963
  200    H3*    G  19           H3*        G  19  -4.173  18.157   9.253
  201    H2*    G  19           H2*        G  19  -6.200  19.236   8.500
  202   2HO*    G  19          2HO*        G  19  -7.668  19.967   9.890
  203    H1*    G  19           H1*        G  19  -5.513  21.725   9.494
  204    H8     G  19           H8         G  19  -2.180  20.548   8.685
  205    H1     G  19           H1         G  19  -5.572  21.782   3.404
  206   1H2     G  19          1H2         G  19  -8.294  21.951   5.559
  207   2H2     G  19          2H2         G  19  -7.713  22.075   3.914
  208   1H5*    U  20          1H5*        U  20  -7.701  18.084   9.614
  209   2H5*    U  20          2H5*        U  20  -8.591  16.555   9.498
  210    H4*    U  20           H4*        U  20  -9.609  18.011   7.973
  211    H3*    U  20           H3*        U  20  -7.795  16.101   6.500
  212    H2*    U  20           H2*        U  20  -8.693  17.066   4.461
  213   2HO*    U  20          2HO*        U  20 -10.737  17.664   6.064
  214    H1*    U  20           H1*        U  20  -8.289  19.683   5.338
  215    H3     U  20           H3         U  20  -5.068  18.631   2.273
  216    H5     U  20           H5         U  20  -3.615  17.239   5.958
  217    H6     U  20           H6         U  20  -5.767  17.728   6.906
  218   1H5*    C  21          1H5*        C  21 -10.955  16.632   4.518
  219   2H5*    C  21          2H5*        C  21 -12.037  15.229   4.606
  220    H4*    C  21           H4*        C  21 -12.303  15.996   2.443
  221    H3*    C  21           H3*        C  21 -10.413  13.670   2.503
  222    H2*    C  21           H2*        C  21 -10.106  13.869   0.119
  223   2HO*    C  21          2HO*        C  21 -12.537  14.909   0.249
  224    H1*    C  21           H1*        C  21  -9.757  16.628   0.122
  225   1H4     C  21          1H4         C  21  -4.125  14.233   2.593
  226   2H4     C  21          2H4         C  21  -3.825  14.521   0.896
  227    H5     C  21           H5         C  21  -6.303  14.471   3.607
  228    H6     C  21           H6         C  21  -8.613  15.125   3.231
  229   1H5*    G  22          1H5*        G  22 -12.510  13.050  -0.488
  230   2H5*    G  22          2H5*        G  22 -13.337  11.491  -0.662
  231    H4*    G  22           H4*        G  22 -12.094  11.692  -2.607
  232    H3*    G  22           H3*        G  22 -10.513   9.978  -0.688
  233    H2*    G  22           H2*        G  22  -8.903   9.709  -2.459
  234   2HO*    G  22          2HO*        G  22 -10.999   9.895  -3.986
  235    H1*    G  22           H1*        G  22  -9.064  12.424  -3.292
  236    H8     G  22           H8         G  22  -8.901  11.791   0.463
  237    H1     G  22           H1         G  22  -3.217  12.317  -2.445
  238   1H2     G  22          1H2         G  22  -5.060  12.275  -5.371
  239   2H2     G  22          2H2         G  22  -3.479  12.371  -4.627
  240   1H5*    C  23          1H5*        C  23 -11.041   7.908  -4.224
  241   2H5*    C  23          2H5*        C  23 -11.497   6.206  -4.006
  242    H4*    C  23           H4*        C  23  -9.675   6.223  -5.491
  243    H3*    C  23           H3*        C  23  -8.804   5.372  -2.733
  244    H2*    C  23           H2*        C  23  -6.585   5.109  -3.581
  245   2HO*    C  23          2HO*        C  23  -7.350   4.022  -5.526
  246    H1*    C  23           H1*        C  23  -6.740   7.339  -5.380
  247   1H4     C  23          1H4         C  23  -4.364   9.560   0.357
  248   2H4     C  23          2H4         C  23  -2.976   9.229  -0.659
  249    H5     C  23           H5         C  23  -6.636   9.017  -0.308
  250    H6     C  23           H6         C  23  -8.014   8.053  -2.072
  251   1H5*    A  24          1H5*        A  24  -8.623   0.470  -2.660
  252   2H5*    A  24          2H5*        A  24  -7.019   0.958  -2.079
  253    H4*    A  24           H4*        A  24  -8.081   0.753  -4.833
  254    H3*    A  24           H3*        A  24  -5.467   0.113  -3.500
  255    H2*    A  24           H2*        A  24  -4.337   0.463  -5.606
  256   2HO*    A  24          2HO*        A  24  -6.604  -0.279  -6.629
  257    H1*    A  24           H1*        A  24  -5.572   2.876  -6.154
  258    H8     A  24           H8         A  24  -5.298   2.684  -2.414
  259   1H6     A  24          1H6         A  24  -0.758   4.352  -1.912
  260   2H6     A  24          2H6         A  24   0.520   4.712  -3.058
  261    H2     A  24           H2         A  24  -1.108   3.826  -7.133
  262   1H5*    C  25          1H5*        C  25  -4.322  -4.278  -4.501
  263   2H5*    C  25          2H5*        C  25  -2.824  -3.646  -3.797
  264    H4*    C  25           H4*        C  25  -3.912  -3.399  -6.521
  265    H3*    C  25           H3*        C  25  -1.674  -4.556  -5.677
  266    H2*    C  25           H2*        C  25  -0.462  -2.757  -4.740
  267   2HO*    C  25          2HO*        C  25   0.222  -3.252  -7.208
  268    H1*    C  25           H1*        C  25  -1.393  -0.654  -6.679
  269   1H4     C  25          1H4         C  25  -1.154   1.608  -0.470
  270   2H4     C  25          2H4         C  25   0.101   2.454  -1.354
  271    H5     C  25           H5         C  25  -2.511  -0.137  -1.475
  272    H6     C  25           H6         C  25  -2.942  -1.395  -3.493
  273   1H5*    G  26          1H5*        G  26  -0.019  -4.732  -9.712
  274   2H5*    G  26          2H5*        G  26   0.423  -6.431  -9.966
  275    H4*    G  26           H4*        G  26   2.270  -4.828  -9.336
  276    H3*    G  26           H3*        G  26   1.818  -7.455  -7.997
  277    H2*    G  26           H2*        G  26   3.489  -7.044  -6.369
  278   2HO*    G  26          2HO*        G  26   4.243  -4.763  -7.904
  279    H1*    G  26           H1*        G  26   2.930  -4.319  -5.983
  280    H8     G  26           H8         G  26   2.139  -4.433  -3.618
  281    H1     G  26           H1         G  26  -1.715  -9.407  -4.848
  282   1H2     G  26          1H2         G  26  -0.431  -9.218  -8.054
  283   2H2     G  26          2H2         G  26  -1.520 -10.029  -6.945
  284   1H5*    U  27          1H5*        U  27   6.791  -5.956 -11.179
  285   2H5*    U  27          2H5*        U  27   7.163  -7.619 -10.686
  286    H4*    U  27           H4*        U  27   9.043  -6.385 -10.092
  287    H3*    U  27           H3*        U  27   7.346  -6.937  -7.680
  288    H2*    U  27           H2*        U  27   8.837  -5.647  -6.324
  289   2HO*    U  27          2HO*        U  27  10.606  -6.577  -8.047
  290    H1*    U  27           H1*        U  27   9.356  -3.632  -8.242
  291    H3     U  27           H3         U  27   7.103  -2.147  -4.440
  292    H5     U  27           H5         U  27   4.271  -2.831  -7.457
  293    H6     U  27           H6         U  27   5.974  -4.006  -8.681
  294   1H5*    A  28          1H5*        A  28  10.534  -6.841  -6.115
  295   2H5*    A  28          2H5*        A  28  11.093  -8.331  -5.334
  296    H4*    A  28           H4*        A  28  11.233  -6.477  -3.806
  297    H3*    A  28           H3*        A  28   9.359  -8.694  -3.135
  298    H2*    A  28           H2*        A  28   8.481  -7.499  -1.240
  299   2HO*    A  28          2HO*        A  28  10.875  -6.450  -1.209
  300    H1*    A  28           H1*        A  28   8.113  -5.081  -2.507
  301    H8     A  28           H8         A  28   7.511  -7.196  -5.386
  302   1H6     A  28          1H6         A  28   2.960  -8.642  -4.520
  303   2H6     A  28          2H6         A  28   1.938  -8.585  -3.099
  304    H2     A  28           H2         A  28   4.315  -6.671   0.163
  305   1H5*    C  29          1H5*        C  29  11.706  -8.119   0.521
  306   2H5*    C  29          2H5*        C  29  12.264  -9.712   1.066
  307    H4*    C  29           H4*        C  29  11.178  -8.523   2.863
  308    H3*    C  29           H3*        C  29   9.877 -11.043   1.919
  309    H2*    C  29           H2*        C  29   8.007 -10.696   3.377
  310   2HO*    C  29          2HO*        C  29   8.382  -9.751   5.225
  311    H1*    C  29           H1*        C  29   7.675  -7.985   2.864
  312   1H4     C  29          1H4         C  29   5.236 -10.989  -2.465
  313   2H4     C  29          2H4         C  29   3.975 -11.128  -1.267
  314    H5     C  29           H5         C  29   7.444 -10.127  -1.964
  315    H6     C  29           H6         C  29   8.876  -9.219  -0.209
  316   1H5*    G  30          1H5*        G  30   9.853 -10.473   5.943
  317   2H5*    G  30          2H5*        G  30  10.389 -11.817   6.971
  318    H4*    G  30           H4*        G  30   8.370 -10.851   7.852
  319    H3*    G  30           H3*        G  30   8.198 -13.663   6.851
  320    H2*    G  30           H2*        G  30   5.832 -13.717   7.270
  321   2HO*    G  30          2HO*        G  30   5.088 -12.564   8.881
  322    H1*    G  30           H1*        G  30   5.255 -11.234   6.179
  323    H8     G  30           H8         G  30   8.064 -12.654   4.157
  324    H1     G  30           H1         G  30   2.342 -15.096   2.639
  325   1H2     G  30          1H2         G  30   1.250 -13.541   5.539
  326   2H2     G  30          2H2         G  30   0.837 -14.521   4.149
  327   1H5*    G  31          1H5*        G  31   6.130 -12.991  10.233
  328   2H5*    G  31          2H5*        G  31   6.376 -14.100  11.596
  329    H4*    G  31           H4*        G  31   4.032 -13.720  11.270
  330    H3*    G  31           H3*        G  31   5.042 -16.482  10.785
  331    H2*    G  31           H2*        G  31   2.903 -17.213   9.963
  332   2HO*    G  31          2HO*        G  31   2.037 -15.306  11.576
  333    H1*    G  31           H1*        G  31   2.410 -15.055   8.316
  334    H8     G  31           H8         G  31   6.126 -15.602   8.425
  335    H1     G  31           H1         G  31   3.096 -19.284   4.157
  336   1H2     G  31          1H2         G  31   0.202 -18.172   5.700
  337   2H2     G  31          2H2         G  31   0.912 -19.173   4.452
  338   1H5*    U  32          1H5*        U  32   1.539 -17.003  12.358
  339   2H5*    U  32          2H5*        U  32   1.448 -18.154  13.705
  340    H4*    U  32           H4*        U  32  -0.079 -18.831  12.000
  341    H3*    U  32           H3*        U  32   2.312 -20.638  12.276
  342    H2*    U  32           H2*        U  32   1.423 -22.008  10.522
  343   2HO*    U  32          2HO*        U  32  -0.876 -21.157  11.537
  344    H1*    U  32           H1*        U  32   0.443 -19.847   8.956
  345    H3     U  32           H3         U  32   3.656 -21.899   6.476
  346    H5     U  32           H5         U  32   5.729 -19.344   9.074
  347    H6     U  32           H6         U  32   3.652 -18.950  10.223
  348   1H5*    U  33          1H5*        U  33  -1.612 -22.538  12.605
  349   2H5*    U  33          2H5*        U  33  -1.637 -23.795  13.856
  350    H4*    U  33           H4*        U  33  -2.736 -24.569  11.856
  351    H3*    U  33           H3*        U  33  -0.220 -25.990  12.642
  352    H2*    U  33           H2*        U  33  -0.331 -27.344  10.658
  353   2HO*    U  33          2HO*        U  33  -2.896 -27.034  10.961
  354    H1*    U  33           H1*        U  33  -0.981 -25.291   8.899
  355    H3     U  33           H3         U  33   3.381 -26.317   8.093
  356    H5     U  33           H5         U  33   3.458 -23.676  11.350
  357    H6     U  33           H6         U  33   1.062 -23.862  11.460
  358   1H5*    C  34          1H5*        C  34  -2.915 -28.896  11.213
  359   2H5*    C  34          2H5*        C  34  -3.065 -30.164  12.446
  360    H4*    C  34           H4*        C  34  -2.671 -31.154  10.295
  361    H3*    C  34           H3*        C  34  -0.476 -31.474  12.309
  362    H2*    C  34           H2*        C  34   0.866 -32.627  10.684
  363   2HO*    C  34          2HO*        C  34  -1.432 -33.430   9.786
  364    H1*    C  34           H1*        C  34   0.318 -30.908   8.551
  365   1H4     C  34          1H4         C  34   4.722 -27.627  12.194
  366   2H4     C  34          2H4         C  34   5.663 -28.610  11.101
  367    H5     C  34           H5         C  34   2.312 -27.785  12.359
  368    H6     C  34           H6         C  34   0.326 -28.921  11.517
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   7.292 -37.862   0.897
    2   2H5*    G   1          2H5*        G   1   7.404 -36.466  -0.187
    3    H4*    G   1           H4*        G   1   5.104 -37.058   0.158
    4    H3*    G   1           H3*        G   1   5.927 -34.423   1.359
    5    H2*    G   1           H2*        G   1   3.638 -34.110   2.060
    6   2HO*    G   1          2HO*        G   1   2.021 -35.178   1.126
    7    H1*    G   1           H1*        G   1   3.347 -36.697   3.067
    8    H8     G   1           H8         G   1   6.792 -36.038   4.026
    9    H1     G   1           H1         G   1   2.668 -32.481   7.407
   10   1H2     G   1          1H2         G   1   0.360 -33.456   5.011
   11   2H2     G   1          2H2         G   1   0.670 -32.539   6.469
   12    H5T    G   1           H5T        G   1   7.226 -35.739   2.428
   13   1H5*    A   2          1H5*        A   2   2.347 -34.148  -0.299
   14   2H5*    A   2          2H5*        A   2   2.278 -32.953  -1.609
   15    H4*    A   2           H4*        A   2   0.316 -32.786  -0.230
   16    H3*    A   2           H3*        A   2   2.180 -30.428  -0.086
   17    H2*    A   2           H2*        A   2   0.619 -29.372   1.427
   18   2HO*    A   2          2HO*        A   2  -1.114 -30.942   0.136
   19    H1*    A   2           H1*        A   2   0.207 -31.653   2.987
   20    H8     A   2           H8         A   2   3.806 -31.600   1.926
   21   1H6     A   2          1H6         A   2   5.601 -28.831   5.479
   22   2H6     A   2          2H6         A   2   4.873 -27.861   6.745
   23    H2     A   2           H2         A   2   0.430 -28.305   6.286
   24   1H5*    G   3          1H5*        G   3  -1.759 -29.377  -0.575
   25   2H5*    G   3          2H5*        G   3  -2.054 -28.158  -1.829
   26    H4*    G   3           H4*        G   3  -3.264 -27.520   0.104
   27    H3*    G   3           H3*        G   3  -0.820 -25.780  -0.241
   28    H2*    G   3           H2*        G   3  -1.682 -24.481   1.607
   29   2HO*    G   3          2HO*        G   3  -3.756 -24.551   2.163
   30    H1*    G   3           H1*        G   3  -2.373 -26.770   3.116
   31    H8     G   3           H8         G   3   0.922 -27.393   1.488
   32    H1     G   3           H1         G   3   1.289 -23.606   6.655
   33   1H2     G   3          1H2         G   3  -2.144 -23.475   6.420
   34   2H2     G   3          2H2         G   3  -0.703 -22.970   7.275
   35   1H5*    C   4          1H5*        C   4  -3.974 -23.841   0.548
   36   2H5*    C   4          2H5*        C   4  -4.398 -22.388  -0.376
   37    H4*    C   4           H4*        C   4  -4.542 -21.942   1.981
   38    H3*    C   4           H3*        C   4  -2.266 -20.515   0.607
   39    H2*    C   4           H2*        C   4  -1.901 -19.376   2.715
   40   2HO*    C   4          2HO*        C   4  -4.450 -19.744   3.045
   41    H1*    C   4           H1*        C   4  -2.065 -21.735   4.223
   42   1H4     C   4          1H4         C   4   3.902 -21.924   1.446
   43   2H4     C   4          2H4         C   4   4.082 -20.869   2.828
   44    H5     C   4           H5         C   4   1.748 -22.790   0.727
   45    H6     C   4           H6         C   4  -0.643 -22.812   1.194
   46   1H5*    C   5          1H5*        C   5  -4.909 -17.591   2.362
   47   2H5*    C   5          2H5*        C   5  -5.173 -16.261   1.218
   48    H4*    C   5           H4*        C   5  -4.642 -15.400   3.398
   49    H3*    C   5           H3*        C   5  -2.553 -14.892   1.297
   50    H2*    C   5           H2*        C   5  -1.281 -13.677   2.956
   51   2HO*    C   5          2HO*        C   5  -3.692 -13.342   4.040
   52    H1*    C   5           H1*        C   5  -1.556 -15.623   4.926
   53   1H4     C   5          1H4         C   5   2.798 -18.284   0.763
   54   2H4     C   5          2H4         C   5   3.732 -17.164   1.729
   55    H5     C   5           H5         C   5   0.383 -18.451   0.911
   56    H6     C   5           H6         C   5  -1.616 -17.531   1.974
   57   1H5*    G   6          1H5*        G   6  -4.047 -11.744   3.574
   58   2H5*    G   6          2H5*        G   6  -4.481 -10.259   2.706
   59    H4*    G   6           H4*        G   6  -3.418  -9.759   4.822
   60    H3*    G   6           H3*        G   6  -1.941  -8.914   2.348
   61    H2*    G   6           H2*        G   6  -0.175  -8.032   3.748
   62   2HO*    G   6          2HO*        G   6  -0.621  -7.443   5.737
   63    H1*    G   6           H1*        G   6   0.075 -10.303   5.285
   64    H8     G   6           H8         G   6  -1.065 -11.544   1.962
   65    H1     G   6           H1         G   6   5.117  -9.875   2.059
   66   1H2     G   6          1H2         G   6   4.366  -8.465   5.128
   67   2H2     G   6          2H2         G   6   5.579  -8.774   3.908
   68   1H5*    U   7          1H5*        U   7  -1.711  -6.154   5.189
   69   2H5*    U   7          2H5*        U   7  -2.057  -4.480   4.716
   70    H4*    U   7           H4*        U   7   0.008  -4.587   5.936
   71    H3*    U   7           H3*        U   7   0.214  -3.796   3.055
   72    H2*    U   7           H2*        U   7   2.618  -3.670   3.256
   73   2HO*    U   7          2HO*        U   7   1.949  -3.501   5.919
   74    H1*    U   7           H1*        U   7   2.926  -6.103   4.522
   75    H3     U   7           H3         U   7   3.963  -6.646   0.098
   76    H5     U   7           H5         U   7  -0.138  -7.371   0.407
   77    H6     U   7           H6         U   7  -0.042  -6.534   2.660
   78   1H5*    A   8          1H5*        A   8   2.588  -1.922   5.501
   79   2H5*    A   8          2H5*        A   8   2.524  -0.152   5.573
   80    H4*    A   8           H4*        A   8   4.809  -0.943   5.638
   81    H3*    A   8           H3*        A   8   4.027   0.629   3.191
   82    H2*    A   8           H2*        A   8   6.279   0.400   2.393
   83   2HO*    A   8          2HO*        A   8   6.861   0.536   4.911
   84    H1*    A   8           H1*        A   8   6.603  -2.280   3.285
   85    H8     A   8           H8         A   8   3.369  -2.493   1.623
   86   1H6     A   8          1H6         A   8   4.769  -2.536  -3.017
   87   2H6     A   8          2H6         A   8   6.284  -2.208  -3.831
   88    H2     A   8           H2         A   8   9.221  -1.103  -0.629
   89   1H5*    U   9          1H5*        U   9   7.038   2.828   3.988
   90   2H5*    U   9          2H5*        U   9   6.687   4.567   4.039
   91    H4*    U   9           H4*        U   9   8.246   4.189   2.297
   92    H3*    U   9           H3*        U   9   5.496   4.924   1.378
   93    H2*    U   9           H2*        U   9   6.062   4.533  -0.895
   94   2HO*    U   9          2HO*        U   9   8.331   5.579  -0.089
   95    H1*    U   9           H1*        U   9   7.981   2.452  -0.437
   96    H3     U   9           H3         U   9   4.896   0.715  -3.271
   97    H5     U   9           H5         U   9   3.226   0.351   0.564
   98    H6     U   9           H6         U   9   5.013   1.732   1.389
   99   1H5*    G  10          1H5*        G  10   7.481   7.200  -0.874
  100   2H5*    G  10          2H5*        G  10   7.422   8.947  -0.570
  101    H4*    G  10           H4*        G  10   7.062   8.416  -2.923
  102    H3*    G  10           H3*        G  10   4.820   9.762  -1.448
  103    H2*    G  10           H2*        G  10   3.468   9.674  -3.453
  104   2HO*    G  10          2HO*        G  10   4.418   9.544  -5.353
  105    H1*    G  10           H1*        G  10   3.880   6.997  -3.902
  106    H8     G  10           H8         G  10   4.227   7.046  -0.264
  107    H1     G  10           H1         G  10  -1.817   8.107  -2.074
  108   1H2     G  10          1H2         G  10  -0.451   8.612  -5.225
  109   2H2     G  10          2H2         G  10  -1.899   8.569  -4.243
  110   1H5*    C  11          1H5*        C  11   4.930  11.241  -5.312
  111   2H5*    C  11          2H5*        C  11   5.210  12.992  -5.231
  112    H4*    C  11           H4*        C  11   3.495  12.492  -6.846
  113    H3*    C  11           H3*        C  11   2.617  14.006  -4.410
  114    H2*    C  11           H2*        C  11   0.356  14.004  -5.227
  115   2HO*    C  11          2HO*        C  11   0.073  14.052  -7.321
  116    H1*    C  11           H1*        C  11   0.333  11.333  -6.032
  117   1H4     C  11          1H4         C  11  -0.304  11.041   0.523
  118   2H4     C  11          2H4         C  11  -1.911  11.381  -0.067
  119    H5     C  11           H5         C  11   1.647  10.986  -0.928
  120    H6     C  11           H6         C  11   2.438  11.323  -3.210
  121   1H5*    G  12          1H5*        G  12   1.158  15.606  -8.006
  122   2H5*    G  12          2H5*        G  12   1.141  17.379  -8.073
  123    H4*    G  12           H4*        G  12  -1.007  16.497  -8.706
  124    H3*    G  12           H3*        G  12  -0.942  18.064  -6.148
  125    H2*    G  12           H2*        G  12  -3.297  17.642  -5.848
  126   2HO*    G  12          2HO*        G  12  -3.231  17.488  -8.496
  127    H1*    G  12           H1*        G  12  -3.185  14.936  -6.473
  128    H8     G  12           H8         G  12  -0.008  15.887  -4.698
  129    H1     G  12           H1         G  12  -4.934  14.679  -0.779
  130   1H2     G  12          1H2         G  12  -6.837  14.708  -3.668
  131   2H2     G  12          2H2         G  12  -6.807  14.515  -1.930
  132   1H5*    A  13          1H5*        A  13  -4.371  19.020  -8.252
  133   2H5*    A  13          2H5*        A  13  -4.591  20.778  -8.361
  134    H4*    A  13           H4*        A  13  -6.613  19.711  -7.585
  135    H3*    A  13           H3*        A  13  -5.231  21.473  -5.572
  136    H2*    A  13           H2*        A  13  -7.012  21.000  -4.030
  137   2HO*    A  13          2HO*        A  13  -8.965  20.626  -4.776
  138    H1*    A  13           H1*        A  13  -7.235  18.262  -4.729
  139    H8     A  13           H8         A  13  -3.600  18.741  -4.401
  140   1H6     A  13          1H6         A  13  -3.116  18.440   0.337
  141   2H6     A  13          2H6         A  13  -4.196  18.374   1.702
  142    H2     A  13           H2         A  13  -8.344  18.807  -0.076
  143   1H5*    U  14          1H5*        U  14  -9.147  22.582  -4.932
  144   2H5*    U  14          2H5*        U  14  -9.139  24.353  -4.839
  145    H4*    U  14           H4*        U  14 -10.004  23.427  -2.799
  146    H3*    U  14           H3*        U  14  -7.318  24.763  -2.515
  147    H2*    U  14           H2*        U  14  -7.427  24.306  -0.158
  148   2HO*    U  14          2HO*        U  14  -9.967  24.636  -0.499
  149    H1*    U  14           H1*        U  14  -8.498  21.702  -0.466
  150    H3     U  14           H3         U  14  -4.353  21.086   1.264
  151    H5     U  14           H5         U  14  -3.696  21.911  -2.789
  152    H6     U  14           H6         U  14  -6.039  22.362  -3.009
  153   1H5*    G  15          1H5*        G  15  -8.286  28.625  -0.447
  154   2H5*    G  15          2H5*        G  15  -6.758  29.237  -1.107
  155    H4*    G  15           H4*        G  15  -7.073  28.443   1.426
  156    H3*    G  15           H3*        G  15  -4.585  28.400  -0.262
  157    H2*    G  15           H2*        G  15  -3.431  27.328   1.581
  158   2HO*    G  15          2HO*        G  15  -5.225  28.573   3.027
  159    H1*    G  15           H1*        G  15  -5.375  25.425   2.005
  160    H8     G  15           H8         G  15  -5.646  25.909  -1.629
  161    H1     G  15           H1         G  15  -0.330  22.746   0.006
  162   1H2     G  15          1H2         G  15  -1.082  23.723   3.219
  163   2H2     G  15          2H2         G  15   0.009  22.874   2.154
  164   1H5*    A  16          1H5*        A  16  -2.391  28.089   0.229
  165   2H5*    A  16          2H5*        A  16  -2.556  29.141   1.649
  166    H4*    A  16           H4*        A  16  -0.384  29.433  -0.417
  167    H3*    A  16           H3*        A  16  -0.386  27.249   1.162
  168    H2*    A  16           H2*        A  16  -0.346  28.146   3.333
  169   2HO*    A  16          2HO*        A  16   2.062  27.722   2.496
  170    H1*    A  16           H1*        A  16   1.121  30.679   2.692
  171    H8     A  16           H8         A  16  -2.632  30.804   2.924
  172   1H6     A  16          1H6         A  16  -3.024  31.746   7.686
  173   2H6     A  16          2H6         A  16  -1.853  31.817   8.987
  174    H2     A  16           H2         A  16   2.139  30.846   7.212
  175   1H5*    A  17          1H5*        A  17   3.137  24.631   0.947
  176   2H5*    A  17          2H5*        A  17   1.818  23.558   1.441
  177    H4*    A  17           H4*        A  17   3.514  25.122   3.062
  178    H3*    A  17           H3*        A  17   1.205  23.288   3.654
  179    H2*    A  17           H2*        A  17   1.024  24.214   5.835
  180   2HO*    A  17          2HO*        A  17   3.608  24.121   5.704
  181    H1*    A  17           H1*        A  17   2.040  26.835   5.121
  182    H8     A  17           H8         A  17  -0.995  25.741   3.165
  183   1H6     A  17          1H6         A  17  -4.382  27.831   5.947
  184   2H6     A  17          2H6         A  17  -4.343  28.565   7.537
  185    H2     A  17           H2         A  17  -0.108  28.324   8.970
  186   1H5*    A  18          1H5*        A  18   3.537  20.584   6.725
  187   2H5*    A  18          2H5*        A  18   2.163  19.463   6.654
  188    H4*    A  18           H4*        A  18   2.617  20.937   8.767
  189    H3*    A  18           H3*        A  18  -0.012  20.092   7.644
  190    H2*    A  18           H2*        A  18  -1.205  21.576   9.121
  191   2HO*    A  18          2HO*        A  18   0.832  21.145  10.686
  192    H1*    A  18           H1*        A  18   0.356  23.802   8.693
  193    H8     A  18           H8         A  18   0.445  21.763   5.524
  194   1H6     A  18          1H6         A  18  -3.390  23.689   3.299
  195   2H6     A  18          2H6         A  18  -4.656  24.788   3.806
  196    H2     A  18           H2         A  18  -3.806  25.826   8.093
  197   1H5*    G  19          1H5*        G  19  -1.619  19.701  11.020
  198   2H5*    G  19          2H5*        G  19  -1.835  17.975  11.368
  199    H4*    G  19           H4*        G  19  -3.969  18.760  11.578
  200    H3*    G  19           H3*        G  19  -3.671  17.741   8.768
  201    H2*    G  19           H2*        G  19  -5.950  18.421   8.327
  202   2HO*    G  19          2HO*        G  19  -7.330  18.659   9.933
  203    H1*    G  19           H1*        G  19  -5.638  20.964   9.351
  204    H8     G  19           H8         G  19  -2.241  20.370   8.142
  205    H1     G  19           H1         G  19  -6.356  21.298   3.324
  206   1H2     G  19          1H2         G  19  -8.806  20.910   5.744
  207   2H2     G  19          2H2         G  19  -8.437  21.211   4.061
  208   1H5*    U  20          1H5*        U  20  -7.157  16.860   9.831
  209   2H5*    U  20          2H5*        U  20  -7.741  15.211   9.536
  210    H4*    U  20           H4*        U  20  -9.222  16.792   8.508
  211    H3*    U  20           H3*        U  20  -7.626  15.141   6.560
  212    H2*    U  20           H2*        U  20  -8.875  16.218   4.784
  213   2HO*    U  20          2HO*        U  20 -10.757  17.168   5.179
  214    H1*    U  20           H1*        U  20  -8.473  18.778   5.788
  215    H3     U  20           H3         U  20  -5.722  17.977   2.206
  216    H5     U  20           H5         U  20  -3.557  16.864   5.636
  217    H6     U  20           H6         U  20  -5.590  17.102   6.893
  218   1H5*    C  21          1H5*        C  21 -10.976  15.396   4.929
  219   2H5*    C  21          2H5*        C  21 -11.900  13.890   5.090
  220    H4*    C  21           H4*        C  21 -12.364  14.564   2.936
  221    H3*    C  21           H3*        C  21 -10.191  12.499   2.903
  222    H2*    C  21           H2*        C  21 -10.036  12.705   0.510
  223   2HO*    C  21          2HO*        C  21 -11.840  13.165  -0.507
  224    H1*    C  21           H1*        C  21 -10.069  15.491   0.471
  225   1H4     C  21          1H4         C  21  -4.035  13.844   2.596
  226   2H4     C  21          2H4         C  21  -3.885  14.137   0.880
  227    H5     C  21           H5         C  21  -6.162  13.850   3.748
  228    H6     C  21           H6         C  21  -8.556  14.213   3.508
  229   1H5*    G  22          1H5*        G  22 -12.438  11.350   0.030
  230   2H5*    G  22          2H5*        G  22 -12.895   9.636   0.023
  231    H4*    G  22           H4*        G  22 -11.821  10.016  -2.020
  232    H3*    G  22           H3*        G  22  -9.902   8.669  -0.119
  233    H2*    G  22           H2*        G  22  -8.338   8.599  -1.953
  234   2HO*    G  22          2HO*        G  22  -9.127   8.420  -3.909
  235    H1*    G  22           H1*        G  22  -8.893  11.236  -2.793
  236    H8     G  22           H8         G  22  -8.730  10.800   0.977
  237    H1     G  22           H1         G  22  -3.074  11.834  -1.859
  238   1H2     G  22          1H2         G  22  -4.830  11.460  -4.807
  239   2H2     G  22          2H2         G  22  -3.289  11.772  -4.041
  240   1H5*    C  23          1H5*        C  23 -10.117   6.836  -3.762
  241   2H5*    C  23          2H5*        C  23 -10.002   5.067  -3.747
  242    H4*    C  23           H4*        C  23  -8.388   6.010  -5.275
  243    H3*    C  23           H3*        C  23  -7.193   4.687  -2.841
  244    H2*    C  23           H2*        C  23  -5.021   5.217  -3.701
  245   2HO*    C  23          2HO*        C  23  -5.535   4.562  -5.871
  246    H1*    C  23           H1*        C  23  -5.790   7.748  -4.797
  247   1H4     C  23          1H4         C  23  -3.781   8.795   1.392
  248   2H4     C  23          2H4         C  23  -2.364   8.990   0.387
  249    H5     C  23           H5         C  23  -5.920   8.042   0.518
  250    H6     C  23           H6         C  23  -7.106   7.327  -1.490
  251   1H5*    A  24          1H5*        A  24  -5.042   1.601  -2.474
  252   2H5*    A  24          2H5*        A  24  -5.510   3.245  -2.947
  253    H4*    A  24           H4*        A  24  -5.971   1.576  -5.178
  254    H3*    A  24           H3*        A  24  -3.400   0.859  -3.816
  255    H2*    A  24           H2*        A  24  -2.227   1.007  -5.914
  256   2HO*    A  24          2HO*        A  24  -4.457   0.271  -6.948
  257    H1*    A  24           H1*        A  24  -3.321   3.431  -6.673
  258    H8     A  24           H8         A  24  -3.011   3.380  -2.888
  259   1H6     A  24          1H6         A  24   1.555   5.041  -2.554
  260   2H6     A  24          2H6         A  24   2.787   5.384  -3.750
  261    H2     A  24           H2         A  24   1.013   4.484  -7.752
  262   1H5*    C  25          1H5*        C  25  -1.918  -3.252  -3.924
  263   2H5*    C  25          2H5*        C  25  -0.646  -2.121  -3.434
  264    H4*    C  25           H4*        C  25  -2.017  -2.361  -6.098
  265    H3*    C  25           H3*        C  25   0.163  -3.694  -5.399
  266    H2*    C  25           H2*        C  25   1.646  -1.981  -4.725
  267   2HO*    C  25          2HO*        C  25   2.381  -2.813  -6.881
  268    H1*    C  25           H1*        C  25   0.753   0.060  -6.743
  269   1H4     C  25          1H4         C  25   1.717   2.895  -0.863
  270   2H4     C  25          2H4         C  25   3.000   3.483  -1.901
  271    H5     C  25           H5         C  25   0.132   1.202  -1.573
  272    H6     C  25           H6         C  25  -0.589  -0.191  -3.409
  273   1H5*    G  26          1H5*        G  26   2.531  -2.985  -9.115
  274   2H5*    G  26          2H5*        G  26   2.927  -4.664  -9.533
  275    H4*    G  26           H4*        G  26   4.818  -3.023  -8.954
  276    H3*    G  26           H3*        G  26   4.585  -5.863  -8.167
  277    H2*    G  26           H2*        G  26   6.296  -5.784  -6.533
  278   2HO*    G  26          2HO*        G  26   7.807  -4.466  -7.689
  279    H1*    G  26           H1*        G  26   5.608  -3.390  -5.360
  280    H8     G  26           H8         G  26   4.037  -3.795  -3.415
  281    H1     G  26           H1         G  26   1.815  -9.178  -6.094
  282   1H2     G  26          1H2         G  26   3.721  -8.235  -8.824
  283   2H2     G  26          2H2         G  26   2.632  -9.415  -8.125
  284   1H5*    U  27          1H5*        U  27   9.634  -3.348 -10.269
  285   2H5*    U  27          2H5*        U  27  10.176  -5.028 -10.091
  286    H4*    U  27           H4*        U  27  11.645  -3.945  -8.728
  287    H3*    U  27           H3*        U  27   9.370  -4.825  -6.971
  288    H2*    U  27           H2*        U  27  10.443  -3.752  -5.108
  289   2HO*    U  27          2HO*        U  27  12.635  -4.308  -6.586
  290    H1*    U  27           H1*        U  27  11.324  -1.485  -6.558
  291    H3     U  27           H3         U  27   8.168  -0.418  -3.330
  292    H5     U  27           H5         U  27   6.141  -0.942  -6.968
  293    H6     U  27           H6         U  27   8.160  -1.889  -7.868
  294   1H5*    A  28          1H5*        A  28  12.303  -5.155  -5.053
  295   2H5*    A  28          2H5*        A  28  12.924  -6.693  -4.427
  296    H4*    A  28           H4*        A  28  12.926  -5.006  -2.702
  297    H3*    A  28           H3*        A  28  11.119  -7.360  -2.326
  298    H2*    A  28           H2*        A  28  10.282  -6.417  -0.266
  299   2HO*    A  28          2HO*        A  28  12.630  -5.258  -0.201
  300    H1*    A  28           H1*        A  28   9.757  -3.925  -1.304
  301    H8     A  28           H8         A  28   9.187  -5.852  -4.340
  302   1H6     A  28          1H6         A  28   4.795  -7.689  -3.413
  303   2H6     A  28          2H6         A  28   3.811  -7.796  -1.968
  304    H2     A  28           H2         A  28   6.193  -5.910   1.333
  305   1H5*    C  29          1H5*        C  29  13.301  -7.252   1.419
  306   2H5*    C  29          2H5*        C  29  13.957  -8.879   1.681
  307    H4*    C  29           H4*        C  29  12.792  -8.110   3.645
  308    H3*    C  29           H3*        C  29  11.542 -10.447   2.227
  309    H2*    C  29           H2*        C  29   9.776 -10.458   3.866
  310   2HO*    C  29          2HO*        C  29  11.714  -9.174   5.322
  311    H1*    C  29           H1*        C  29   9.429  -7.676   3.929
  312   1H4     C  29          1H4         C  29   6.259  -9.620  -1.506
  313   2H4     C  29          2H4         C  29   5.108  -9.811  -0.203
  314    H5     C  29           H5         C  29   8.578  -9.000  -1.132
  315    H6     C  29           H6         C  29  10.248  -8.478   0.568
  316   1H5*    G  30          1H5*        G  30  11.487 -10.737   6.139
  317   2H5*    G  30          2H5*        G  30  12.251 -12.155   6.883
  318    H4*    G  30           H4*        G  30  10.137 -11.610   7.951
  319    H3*    G  30           H3*        G  30  10.205 -14.257   6.504
  320    H2*    G  30           H2*        G  30   7.957 -14.633   7.315
  321   2HO*    G  30          2HO*        G  30   8.790 -12.856   9.198
  322    H1*    G  30           H1*        G  30   7.073 -12.030   6.730
  323    H8     G  30           H8         G  30   9.353 -13.203   3.992
  324    H1     G  30           H1         G  30   3.358 -15.447   3.541
  325   1H2     G  30          1H2         G  30   2.966 -14.132   6.718
  326   2H2     G  30          2H2         G  30   2.239 -14.981   5.375
  327   1H5*    G  31          1H5*        G  31   8.629 -14.328  10.104
  328   2H5*    G  31          2H5*        G  31   9.171 -15.555  11.265
  329    H4*    G  31           H4*        G  31   6.760 -15.361  11.267
  330    H3*    G  31           H3*        G  31   7.795 -17.995  10.217
  331    H2*    G  31           H2*        G  31   5.488 -18.697  10.076
  332   2HO*    G  31          2HO*        G  31   5.236 -16.821  12.009
  333    H1*    G  31           H1*        G  31   4.581 -16.236   9.020
  334    H8     G  31           H8         G  31   7.873 -17.379   7.541
  335    H1     G  31           H1         G  31   2.680 -19.794   4.654
  336   1H2     G  31          1H2         G  31   0.946 -18.419   7.328
  337   2H2     G  31          2H2         G  31   0.873 -19.326   5.833
  338   1H5*    U  32          1H5*        U  32   4.838 -18.484  12.874
  339   2H5*    U  32          2H5*        U  32   5.124 -19.723  14.111
  340    H4*    U  32           H4*        U  32   2.973 -20.082  13.151
  341    H3*    U  32           H3*        U  32   4.983 -22.163  12.308
  342    H2*    U  32           H2*        U  32   3.224 -23.257  11.102
  343   2HO*    U  32          2HO*        U  32   1.446 -23.228  12.340
  344    H1*    U  32           H1*        U  32   2.009 -20.839  10.203
  345    H3     U  32           H3         U  32   3.384 -23.054   6.483
  346    H5     U  32           H5         U  32   6.816 -21.137   7.953
  347    H6     U  32           H6         U  32   5.539 -20.512   9.890
  348   1H5*    U  33          1H5*        U  33   1.402 -23.611  14.291
  349   2H5*    U  33          2H5*        U  33   1.680 -25.057  15.280
  350    H4*    U  33           H4*        U  33  -0.271 -25.330  13.881
  351    H3*    U  33           H3*        U  33   2.034 -27.158  13.284
  352    H2*    U  33           H2*        U  33   0.776 -28.121  11.478
  353   2HO*    U  33          2HO*        U  33  -1.266 -27.466  13.029
  354    H1*    U  33           H1*        U  33  -0.273 -25.703  10.514
  355    H3     U  33           H3         U  33   2.643 -27.158   7.373
  356    H5     U  33           H5         U  33   5.032 -25.292  10.289
  357    H6     U  33           H6         U  33   3.081 -25.204  11.702
  358   1H5*    C  34          1H5*        C  34  -1.781 -29.080  13.675
  359   2H5*    C  34          2H5*        C  34  -1.694 -30.596  14.593
  360    H4*    C  34           H4*        C  34  -3.020 -30.901  12.610
  361    H3*    C  34           H3*        C  34  -0.432 -32.410  12.710
  362    H2*    C  34           H2*        C  34  -0.853 -33.291  10.509
  363   2HO*    C  34          2HO*        C  34  -3.338 -33.087  11.226
  364    H1*    C  34           H1*        C  34  -1.663 -30.880   9.375
  365   1H4     C  34          1H4         C  34   4.866 -30.196   9.862
  366   2H4     C  34          2H4         C  34   4.598 -31.059   8.366
  367    H5     C  34           H5         C  34   3.071 -29.714  11.434
  368    H6     C  34           H6         C  34   0.690 -29.986  11.876
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   6.347 -29.957  -1.185
    2   2H5*    G   1          2H5*        G   1   5.453 -29.178  -2.504
    3    H4*    G   1           H4*        G   1   3.788 -30.282  -1.394
    4    H3*    G   1           H3*        G   1   3.852 -27.467  -0.344
    5    H2*    G   1           H2*        G   1   2.085 -28.022   1.184
    6   2HO*    G   1          2HO*        G   1   0.685 -29.549   0.698
    7    H1*    G   1           H1*        G   1   3.114 -30.542   1.897
    8    H8     G   1           H8         G   1   6.056 -28.317   1.728
    9    H1     G   1           H1         G   1   2.549 -27.441   7.026
   10   1H2     G   1          1H2         G   1   0.169 -29.340   5.379
   11   2H2     G   1          2H2         G   1   0.601 -28.457   6.826
   12    H5T    G   1           H5T        G   1   6.142 -27.955  -0.027
   13   1H5*    A   2          1H5*        A   2   0.171 -28.843  -0.840
   14   2H5*    A   2          2H5*        A   2  -0.946 -27.833  -1.779
   15    H4*    A   2           H4*        A   2  -2.073 -28.526   0.186
   16    H3*    A   2           H3*        A   2  -1.288 -25.623   0.237
   17    H2*    A   2           H2*        A   2  -2.347 -25.429   2.390
   18   2HO*    A   2          2HO*        A   2  -3.989 -26.696   2.840
   19    H1*    A   2           H1*        A   2  -1.292 -27.820   3.406
   20    H8     A   2           H8         A   2   1.262 -26.028   1.269
   21   1H6     A   2          1H6         A   2   3.270 -23.283   4.733
   22   2H6     A   2          2H6         A   2   2.854 -22.952   6.398
   23    H2     A   2           H2         A   2  -0.835 -25.352   7.295
   24   1H5*    G   3          1H5*        G   3  -4.890 -25.796   1.496
   25   2H5*    G   3          2H5*        G   3  -6.103 -24.806   0.663
   26    H4*    G   3           H4*        G   3  -6.447 -24.238   2.855
   27    H3*    G   3           H3*        G   3  -4.474 -22.186   1.834
   28    H2*    G   3           H2*        G   3  -4.723 -21.127   3.993
   29   2HO*    G   3          2HO*        G   3  -6.505 -21.418   5.140
   30    H1*    G   3           H1*        G   3  -4.571 -23.582   5.393
   31    H8     G   3           H8         G   3  -2.086 -23.569   2.590
   32    H1     G   3           H1         G   3  -0.225 -20.250   7.757
   33   1H2     G   3          1H2         G   3  -3.470 -20.680   8.811
   34   2H2     G   3          2H2         G   3  -1.884 -20.022   9.156
   35   1H5*    C   4          1H5*        C   4  -6.673 -20.250   3.806
   36   2H5*    C   4          2H5*        C   4  -7.562 -18.914   3.055
   37    H4*    C   4           H4*        C   4  -6.577 -18.000   4.960
   38    H3*    C   4           H3*        C   4  -4.811 -17.264   2.616
   39    H2*    C   4           H2*        C   4  -3.639 -15.871   4.196
   40   2HO*    C   4          2HO*        C   4  -4.863 -14.961   5.682
   41    H1*    C   4           H1*        C   4  -3.793 -17.845   6.263
   42   1H4     C   4          1H4         C   4   1.624 -19.120   2.749
   43   2H4     C   4          2H4         C   4   2.102 -17.877   3.879
   44    H5     C   4           H5         C   4  -0.678 -19.856   2.493
   45    H6     C   4           H6         C   4  -2.957 -19.588   3.325
   46   1H5*    C   5          1H5*        C   5  -6.472 -13.901   4.681
   47   2H5*    C   5          2H5*        C   5  -6.832 -12.532   3.612
   48    H4*    C   5           H4*        C   5  -5.625 -11.789   5.560
   49    H3*    C   5           H3*        C   5  -4.131 -11.544   2.960
   50    H2*    C   5           H2*        C   5  -2.272 -10.612   4.171
   51   2HO*    C   5          2HO*        C   5  -4.288 -10.000   5.928
   52    H1*    C   5           H1*        C   5  -2.452 -12.388   6.356
   53   1H4     C   5          1H4         C   5   0.877 -15.696   1.732
   54   2H4     C   5          2H4         C   5   2.086 -14.818   2.640
   55    H5     C   5           H5         C   5  -1.506 -15.415   2.096
   56    H6     C   5           H6         C   5  -3.197 -14.192   3.364
   57   1H5*    G   6          1H5*        G   6  -4.029  -8.379   5.400
   58   2H5*    G   6          2H5*        G   6  -4.418  -6.774   4.752
   59    H4*    G   6           H4*        G   6  -2.474  -6.732   6.231
   60    H3*    G   6           H3*        G   6  -1.927  -6.006   3.352
   61    H2*    G   6           H2*        G   6   0.346  -5.532   4.039
   62   2HO*    G   6          2HO*        G   6   0.818  -5.103   6.075
   63    H1*    G   6           H1*        G   6   0.599  -7.886   5.525
   64    H8     G   6           H8         G   6  -1.461  -8.621   2.476
   65    H1     G   6           H1         G   6   4.845  -8.324   1.345
   66   1H2     G   6          1H2         G   6   5.021  -7.025   4.560
   67   2H2     G   6          2H2         G   6   5.875  -7.496   3.113
   68   1H5*    U   7          1H5*        U   7  -0.231  -3.658   5.949
   69   2H5*    U   7          2H5*        U   7  -0.311  -1.902   5.717
   70    H4*    U   7           H4*        U   7   1.945  -2.568   6.183
   71    H3*    U   7           H3*        U   7   1.497  -1.554   3.386
   72    H2*    U   7           H2*        U   7   3.878  -1.820   3.006
   73   2HO*    U   7          2HO*        U   7   3.895  -1.710   5.731
   74    H1*    U   7           H1*        U   7   3.993  -4.382   4.080
   75    H3     U   7           H3         U   7   4.127  -4.772  -0.475
   76    H5     U   7           H5         U   7   0.059  -4.770   0.572
   77    H6     U   7           H6         U   7   0.721  -4.152   2.807
   78   1H5*    A   8          1H5*        A   8   4.652  -0.236   5.179
   79   2H5*    A   8          2H5*        A   8   5.010   1.501   5.209
   80    H4*    A   8           H4*        A   8   6.979   0.219   4.636
   81    H3*    A   8           H3*        A   8   5.906   1.952   2.412
   82    H2*    A   8           H2*        A   8   7.792   1.259   1.098
   83   2HO*    A   8          2HO*        A   8   8.944   1.169   3.478
   84    H1*    A   8           H1*        A   8   7.769  -1.429   2.080
   85    H8     A   8           H8         A   8   4.303  -0.428   1.010
   86   1H6     A   8          1H6         A   8   4.663  -1.508  -3.711
   87   2H6     A   8          2H6         A   8   6.010  -1.903  -4.753
   88    H2     A   8           H2         A   8   9.676  -1.939  -2.164
   89   1H5*    U   9          1H5*        U   9   9.291   3.120   2.430
   90   2H5*    U   9          2H5*        U   9   9.723   4.835   2.568
   91    H4*    U   9           H4*        U   9  10.602   4.256   0.527
   92    H3*    U   9           H3*        U   9   7.916   5.524   0.084
   93    H2*    U   9           H2*        U   9   8.134   5.134  -2.275
   94   2HO*    U   9          2HO*        U   9  10.677   5.446  -1.750
   95    H1*    U   9           H1*        U   9   9.205   2.544  -2.046
   96    H3     U   9           H3         U   9   5.040   1.971  -3.755
   97    H5     U   9           H5         U   9   4.451   2.481   0.366
   98    H6     U   9           H6         U   9   6.781   3.047   0.555
   99   1H5*    G  10          1H5*        G  10   9.326   7.153  -2.694
  100   2H5*    G  10          2H5*        G  10   9.125   8.914  -2.776
  101    H4*    G  10           H4*        G  10   8.010   7.855  -4.630
  102    H3*    G  10           H3*        G  10   6.109   9.092  -2.636
  103    H2*    G  10           H2*        G  10   4.340   8.510  -4.153
  104   2HO*    G  10          2HO*        G  10   6.161   8.951  -5.961
  105    H1*    G  10           H1*        G  10   5.467   5.984  -4.829
  106    H8     G  10           H8         G  10   5.687   6.003  -1.197
  107    H1     G  10           H1         G  10  -0.380   5.506  -3.215
  108   1H2     G  10          1H2         G  10   0.916   6.400  -6.309
  109   2H2     G  10          2H2         G  10  -0.493   5.953  -5.376
  110   1H5*    C  11          1H5*        C  11   5.625  10.511  -6.716
  111   2H5*    C  11          2H5*        C  11   5.349  12.263  -6.717
  112    H4*    C  11           H4*        C  11   3.824  11.177  -8.227
  113    H3*    C  11           H3*        C  11   2.550  12.431  -5.809
  114    H2*    C  11           H2*        C  11   0.399  11.718  -6.644
  115   2HO*    C  11          2HO*        C  11   1.474  12.038  -8.952
  116    H1*    C  11           H1*        C  11   1.222   9.139  -7.316
  117   1H4     C  11          1H4         C  11   0.658   8.849  -0.777
  118   2H4     C  11          2H4         C  11  -0.983   8.689  -1.359
  119    H5     C  11           H5         C  11   2.528   9.378  -2.216
  120    H6     C  11           H6         C  11   3.193   9.894  -4.506
  121   1H5*    G  12          1H5*        G  12   0.425  14.021  -9.094
  122   2H5*    G  12          2H5*        G  12   0.141  15.759  -8.880
  123    H4*    G  12           H4*        G  12  -1.937  14.605  -9.284
  124    H3*    G  12           H3*        G  12  -1.633  15.818  -6.549
  125    H2*    G  12           H2*        G  12  -3.838  15.007  -5.995
  126   2HO*    G  12          2HO*        G  12  -4.154  15.147  -8.643
  127    H1*    G  12           H1*        G  12  -3.434  12.451  -7.003
  128    H8     G  12           H8         G  12  -0.097  13.190  -5.702
  129    H1     G  12           H1         G  12  -4.367  12.145  -1.036
  130   1H2     G  12          1H2         G  12  -6.713  12.453  -3.546
  131   2H2     G  12          2H2         G  12  -6.391  12.162  -1.852
  132   1H5*    A  13          1H5*        A  13  -5.496  16.276  -7.702
  133   2H5*    A  13          2H5*        A  13  -5.865  18.007  -7.804
  134    H4*    A  13           H4*        A  13  -7.675  16.953  -6.706
  135    H3*    A  13           H3*        A  13  -5.965  18.541  -4.802
  136    H2*    A  13           H2*        A  13  -7.515  17.951  -3.049
  137   2HO*    A  13          2HO*        A  13  -9.206  17.764  -5.120
  138    H1*    A  13           H1*        A  13  -7.716  15.255  -3.816
  139    H8     A  13           H8         A  13  -4.147  15.708  -4.293
  140   1H6     A  13          1H6         A  13  -2.542  15.594   0.197
  141   2H6     A  13          2H6         A  13  -3.265  15.522   1.773
  142    H2     A  13           H2         A  13  -7.732  15.844   1.019
  143   1H5*    U  14          1H5*        U  14  -9.430  19.249  -3.591
  144   2H5*    U  14          2H5*        U  14  -9.819  20.963  -3.355
  145    H4*    U  14           H4*        U  14 -10.215  19.846  -1.307
  146    H3*    U  14           H3*        U  14  -7.684  21.485  -1.171
  147    H2*    U  14           H2*        U  14  -7.589  20.887   1.168
  148   2HO*    U  14          2HO*        U  14 -10.211  20.747   0.918
  149    H1*    U  14           H1*        U  14  -8.220  18.179   0.694
  150    H3     U  14           H3         U  14  -3.835  18.510   1.991
  151    H5     U  14           H5         U  14  -3.844  19.225  -2.128
  152    H6     U  14           H6         U  14  -6.239  19.196  -2.060
  153   1H5*    G  15          1H5*        G  15  -9.442  23.770   1.960
  154   2H5*    G  15          2H5*        G  15  -8.600  25.324   1.797
  155    H4*    G  15           H4*        G  15  -8.054  23.878   3.818
  156    H3*    G  15           H3*        G  15  -5.915  25.084   2.072
  157    H2*    G  15           H2*        G  15  -4.276  24.104   3.549
  158   2HO*    G  15          2HO*        G  15  -6.099  24.467   5.343
  159    H1*    G  15           H1*        G  15  -5.559  21.632   3.746
  160    H8     G  15           H8         G  15  -5.954  22.643   0.186
  161    H1     G  15           H1         G  15   0.018  20.840   1.604
  162   1H2     G  15          1H2         G  15  -0.911  21.278   4.844
  163   2H2     G  15          2H2         G  15   0.357  20.897   3.702
  164   1H5*    A  16          1H5*        A  16  -3.764  25.701   2.944
  165   2H5*    A  16          2H5*        A  16  -4.259  26.245   4.561
  166    H4*    A  16           H4*        A  16  -2.321  27.815   2.897
  167    H3*    A  16           H3*        A  16  -1.598  25.270   3.561
  168    H2*    A  16           H2*        A  16  -1.528  25.326   5.913
  169   2HO*    A  16          2HO*        A  16   0.714  26.566   4.905
  170    H1*    A  16           H1*        A  16  -0.997  28.274   6.178
  171    H8     A  16           H8         A  16  -4.514  26.924   6.595
  172   1H6     A  16          1H6         A  16  -4.424  26.345  11.428
  173   2H6     A  16          2H6         A  16  -3.146  26.472  12.623
  174    H2     A  16           H2         A  16   0.614  27.493  10.409
  175   1H5*    A  17          1H5*        A  17   2.803  24.946   4.371
  176   2H5*    A  17          2H5*        A  17   2.608  23.239   3.938
  177    H4*    A  17           H4*        A  17   2.726  24.191   6.465
  178    H3*    A  17           H3*        A  17   1.409  21.657   5.493
  179    H2*    A  17           H2*        A  17   0.665  21.301   7.752
  180   2HO*    A  17          2HO*        A  17   2.964  22.283   8.339
  181    H1*    A  17           H1*        A  17   0.262  24.074   8.314
  182    H8     A  17           H8         A  17  -1.536  23.257   5.150
  183   1H6     A  17          1H6         A  17  -5.767  21.849   7.091
  184   2H6     A  17          2H6         A  17  -6.262  21.474   8.730
  185    H2     A  17           H2         A  17  -2.671  22.010  11.341
  186   1H5*    A  18          1H5*        A  18   4.772  18.860   7.452
  187   2H5*    A  18          2H5*        A  18   4.068  17.453   6.632
  188    H4*    A  18           H4*        A  18   3.876  17.642   9.188
  189    H3*    A  18           H3*        A  18   1.681  16.781   7.346
  190    H2*    A  18           H2*        A  18   0.141  16.674   9.213
  191   2HO*    A  18          2HO*        A  18   0.853  16.564  11.233
  192    H1*    A  18           H1*        A  18   0.682  19.191  10.131
  193    H8     A  18           H8         A  18   1.545  19.483   6.544
  194   1H6     A  18          1H6         A  18  -2.851  20.384   4.708
  195   2H6     A  18          2H6         A  18  -4.472  20.234   5.348
  196    H2     A  18           H2         A  18  -4.023  18.458   9.460
  197   1H5*    G  19          1H5*        G  19   0.875  14.678  10.499
  198   2H5*    G  19          2H5*        G  19   0.448  12.997  10.125
  199    H4*    G  19           H4*        G  19  -1.389  14.106  11.219
  200    H3*    G  19           H3*        G  19  -1.874  13.365   8.341
  201    H2*    G  19           H2*        G  19  -4.125  14.231   8.585
  202   2HO*    G  19          2HO*        G  19  -4.949  14.084  10.544
  203    H1*    G  19           H1*        G  19  -3.308  16.617   9.716
  204    H8     G  19           H8         G  19  -0.442  16.121   7.546
  205    H1     G  19           H1         G  19  -5.677  17.535   4.160
  206   1H2     G  19          1H2         G  19  -7.386  17.033   7.150
  207   2H2     G  19          2H2         G  19  -7.481  17.452   5.453
  208   1H5*    U  20          1H5*        U  20  -5.173  12.303   9.943
  209   2H5*    U  20          2H5*        U  20  -5.791  10.726   9.415
  210    H4*    U  20           H4*        U  20  -7.375  12.447   8.876
  211    H3*    U  20           H3*        U  20  -6.032  11.206   6.481
  212    H2*    U  20           H2*        U  20  -7.468  12.587   5.097
  213   2HO*    U  20          2HO*        U  20  -9.319  13.292   5.883
  214    H1*    U  20           H1*        U  20  -6.932  14.914   6.510
  215    H3     U  20           H3         U  20  -4.630  14.826   2.540
  216    H5     U  20           H5         U  20  -2.052  13.233   5.451
  217    H6     U  20           H6         U  20  -3.933  13.154   6.949
  218   1H5*    C  21          1H5*        C  21  -9.779  11.574   5.397
  219   2H5*    C  21          2H5*        C  21 -10.534   9.971   5.307
  220    H4*    C  21           H4*        C  21 -11.334  11.034   3.427
  221    H3*    C  21           H3*        C  21  -8.990   9.326   2.649
  222    H2*    C  21           H2*        C  21  -9.266  10.069   0.363
  223   2HO*    C  21          2HO*        C  21 -11.344  10.402  -0.099
  224    H1*    C  21           H1*        C  21  -9.420  12.754   1.010
  225   1H4     C  21          1H4         C  21  -3.118  11.136   2.140
  226   2H4     C  21          2H4         C  21  -3.200  11.435   0.422
  227    H5     C  21           H5         C  21  -5.071  11.119   3.569
  228    H6     C  21           H6         C  21  -7.487  11.435   3.644
  229   1H5*    G  22          1H5*        G  22 -11.404   8.657  -0.284
  230   2H5*    G  22          2H5*        G  22 -11.621   6.937  -0.659
  231    H4*    G  22           H4*        G  22 -10.857   7.981  -2.627
  232    H3*    G  22           H3*        G  22  -8.572   6.475  -1.344
  233    H2*    G  22           H2*        G  22  -7.354   6.994  -3.381
  234   2HO*    G  22          2HO*        G  22  -8.390   7.502  -5.174
  235    H1*    G  22           H1*        G  22  -8.132   9.687  -3.316
  236    H8     G  22           H8         G  22  -7.624   8.756   0.226
  237    H1     G  22           H1         G  22  -2.120   9.527  -2.964
  238   1H2     G  22          1H2         G  22  -4.107   9.538  -5.783
  239   2H2     G  22          2H2         G  22  -2.493   9.641  -5.121
  240   1H5*    C  23          1H5*        C  23  -8.873   5.796  -5.080
  241   2H5*    C  23          2H5*        C  23  -8.741   4.136  -5.693
  242    H4*    C  23           H4*        C  23  -7.265   5.602  -6.910
  243    H3*    C  23           H3*        C  23  -5.880   3.565  -5.172
  244    H2*    C  23           H2*        C  23  -3.784   4.396  -6.003
  245   2HO*    C  23          2HO*        C  23  -5.069   4.768  -8.181
  246    H1*    C  23           H1*        C  23  -4.549   7.122  -5.912
  247   1H4     C  23          1H4         C  23  -2.526   5.737   0.192
  248   2H4     C  23          2H4         C  23  -1.047   5.893  -0.728
  249    H5     C  23           H5         C  23  -4.724   5.752  -0.842
  250    H6     C  23           H6         C  23  -5.928   5.928  -2.953
  251   1H5*    A  24          1H5*        A  24  -5.747   1.367  -9.262
  252   2H5*    A  24          2H5*        A  24  -5.391  -0.333  -8.903
  253    H4*    A  24           H4*        A  24  -3.545   1.083  -9.934
  254    H3*    A  24           H3*        A  24  -3.155  -0.718  -7.571
  255    H2*    A  24           H2*        A  24  -0.879   0.012  -7.365
  256   2HO*    A  24          2HO*        A  24  -1.111   0.321  -9.971
  257    H1*    A  24           H1*        A  24  -1.383   2.730  -7.792
  258    H8     A  24           H8         A  24  -4.234   1.464  -5.753
  259   1H6     A  24          1H6         A  24  -2.270   1.941  -1.320
  260   2H6     A  24          2H6         A  24  -0.639   2.269  -0.772
  261    H2     A  24           H2         A  24   1.928   2.658  -4.411
  262   1H5*    C  25          1H5*        C  25   0.091  -3.854  -8.702
  263   2H5*    C  25          2H5*        C  25   0.363  -3.466  -6.994
  264    H4*    C  25           H4*        C  25   0.644  -1.625  -9.357
  265    H3*    C  25           H3*        C  25   2.548  -3.334  -8.647
  266    H2*    C  25           H2*        C  25   2.912  -2.822  -6.373
  267   2HO*    C  25          2HO*        C  25   4.381  -1.159  -8.024
  268    H1*    C  25           H1*        C  25   2.408   0.135  -6.581
  269   1H4     C  25          1H4         C  25  -0.406  -2.343  -1.141
  270   2H4     C  25          2H4         C  25   0.942  -1.369  -0.599
  271    H5     C  25           H5         C  25  -0.848  -2.762  -3.496
  272    H6     C  25           H6         C  25  -0.168  -2.240  -5.759
  273   1H5*    G  26          1H5*        G  26   4.139  -4.115 -12.331
  274   2H5*    G  26          2H5*        G  26   3.497  -5.404 -11.296
  275    H4*    G  26           H4*        G  26   5.388  -3.184 -10.569
  276    H3*    G  26           H3*        G  26   5.616  -6.192 -10.466
  277    H2*    G  26           H2*        G  26   7.235  -5.882  -8.714
  278   2HO*    G  26          2HO*        G  26   8.319  -4.000  -9.463
  279    H1*    G  26           H1*        G  26   5.682  -3.894  -7.433
  280    H8     G  26           H8         G  26   5.063  -5.127  -5.358
  281    H1     G  26           H1         G  26   3.694 -10.483  -8.611
  282   1H2     G  26          1H2         G  26   4.585  -8.646 -11.399
  283   2H2     G  26          2H2         G  26   4.026 -10.179 -10.765
  284   1H5*    U  27          1H5*        U  27  10.541  -3.014 -11.570
  285   2H5*    U  27          2H5*        U  27  10.830  -4.765 -11.602
  286    H4*    U  27           H4*        U  27  12.321  -4.098 -10.009
  287    H3*    U  27           H3*        U  27   9.811  -4.916  -8.591
  288    H2*    U  27           H2*        U  27  10.737  -4.212  -6.497
  289   2HO*    U  27          2HO*        U  27  12.888  -3.932  -6.202
  290    H1*    U  27           H1*        U  27  11.953  -1.868  -7.458
  291    H3     U  27           H3         U  27   8.380  -1.030  -4.632
  292    H5     U  27           H5         U  27   6.957  -0.818  -8.574
  293    H6     U  27           H6         U  27   9.034  -1.795  -9.294
  294   1H5*    A  28          1H5*        A  28  12.569  -5.735  -6.502
  295   2H5*    A  28          2H5*        A  28  12.982  -7.374  -5.965
  296    H4*    A  28           H4*        A  28  13.012  -5.813  -4.114
  297    H3*    A  28           H3*        A  28  10.851  -7.913  -3.977
  298    H2*    A  28           H2*        A  28  10.287  -7.025  -1.802
  299   2HO*    A  28          2HO*        A  28  12.827  -6.411  -1.739
  300    H1*    A  28           H1*        A  28  10.446  -4.338  -2.621
  301    H8     A  28           H8         A  28   8.826  -5.957  -5.476
  302   1H6     A  28          1H6         A  28   4.260  -6.189  -3.860
  303   2H6     A  28          2H6         A  28   3.514  -5.906  -2.303
  304    H2     A  28           H2         A  28   6.831  -4.868   0.533
  305   1H5*    C  29          1H5*        C  29  13.354  -7.921  -0.533
  306   2H5*    C  29          2H5*        C  29  13.696  -9.552   0.080
  307    H4*    C  29           H4*        C  29  12.955  -8.118   1.868
  308    H3*    C  29           H3*        C  29  11.132 -10.389   1.153
  309    H2*    C  29           H2*        C  29   9.542  -9.643   2.793
  310   2HO*    C  29          2HO*        C  29  11.812  -8.389   3.784
  311    H1*    C  29           H1*        C  29   9.778  -6.904   2.230
  312   1H4     C  29          1H4         C  29   5.793  -9.193  -2.481
  313   2H4     C  29          2H4         C  29   4.750  -8.754  -1.150
  314    H5     C  29           H5         C  29   8.214  -9.150  -2.323
  315    H6     C  29           H6         C  29  10.104  -8.710  -0.843
  316   1H5*    G  30          1H5*        G  30  11.389  -9.651   4.949
  317   2H5*    G  30          2H5*        G  30  11.918 -10.938   6.049
  318    H4*    G  30           H4*        G  30  10.046  -9.675   6.960
  319    H3*    G  30           H3*        G  30   9.504 -12.580   6.359
  320    H2*    G  30           H2*        G  30   7.286 -12.255   7.249
  321   2HO*    G  30          2HO*        G  30   8.570 -10.149   8.488
  322    H1*    G  30           H1*        G  30   6.905  -9.730   6.034
  323    H8     G  30           H8         G  30   8.560 -12.313   3.795
  324    H1     G  30           H1         G  30   2.147 -12.499   3.818
  325   1H2     G  30          1H2         G  30   2.413 -10.256   6.446
  326   2H2     G  30          2H2         G  30   1.359 -11.171   5.394
  327   1H5*    G  31          1H5*        G  31   8.078 -11.402   9.782
  328   2H5*    G  31          2H5*        G  31   8.628 -12.266  11.232
  329    H4*    G  31           H4*        G  31   6.351 -12.023  11.559
  330    H3*    G  31           H3*        G  31   6.859 -14.788  10.467
  331    H2*    G  31           H2*        G  31   4.487 -15.194  10.687
  332   2HO*    G  31          2HO*        G  31   4.732 -13.323  12.583
  333    H1*    G  31           H1*        G  31   3.739 -12.711   9.606
  334    H8     G  31           H8         G  31   6.730 -14.061   7.773
  335    H1     G  31           H1         G  31   1.130 -16.441   5.750
  336   1H2     G  31          1H2         G  31  -0.162 -14.940   8.611
  337   2H2     G  31          2H2         G  31  -0.470 -15.900   7.183
  338   1H5*    U  32          1H5*        U  32   4.135 -15.106  13.098
  339   2H5*    U  32          2H5*        U  32   4.580 -16.105  14.495
  340    H4*    U  32           H4*        U  32   2.476 -16.871  13.966
  341    H3*    U  32           H3*        U  32   4.423 -18.715  12.582
  342    H2*    U  32           H2*        U  32   2.520 -19.977  11.838
  343   2HO*    U  32          2HO*        U  32   1.047 -20.104  13.402
  344    H1*    U  32           H1*        U  32   0.948 -17.684  11.266
  345    H3     U  32           H3         U  32   1.778 -19.909   7.365
  346    H5     U  32           H5         U  32   5.168 -17.535   8.040
  347    H6     U  32           H6         U  32   4.245 -16.965  10.185
  348   1H5*    U  33          1H5*        U  33   1.649 -20.677  15.421
  349   2H5*    U  33          2H5*        U  33   2.393 -22.109  16.157
  350    H4*    U  33           H4*        U  33   0.173 -22.617  15.365
  351    H3*    U  33           H3*        U  33   2.407 -24.015  13.910
  352    H2*    U  33           H2*        U  33   0.755 -25.107  12.538
  353   2HO*    U  33          2HO*        U  33  -0.713 -24.955  14.654
  354    H1*    U  33           H1*        U  33  -0.802 -22.820  12.119
  355    H3     U  33           H3         U  33   1.262 -23.735   8.165
  356    H5     U  33           H5         U  33   4.083 -21.594  10.415
  357    H6     U  33           H6         U  33   2.611 -21.781  12.304
  358   1H5*    C  34          1H5*        C  34  -0.702 -26.851  14.877
  359   2H5*    C  34          2H5*        C  34   0.076 -28.286  15.574
  360    H4*    C  34           H4*        C  34  -1.488 -28.947  13.879
  361    H3*    C  34           H3*        C  34   1.397 -29.479  13.310
  362    H2*    C  34           H2*        C  34   0.884 -30.250  11.101
  363   2HO*    C  34          2HO*        C  34  -1.320 -31.049  12.267
  364    H1*    C  34           H1*        C  34  -1.047 -28.316  10.490
  365   1H4     C  34          1H4         C  34   4.701 -25.233   9.574
  366   2H4     C  34          2H4         C  34   4.260 -25.883   8.013
  367    H5     C  34           H5         C  34   3.459 -25.691  11.592
  368    H6     C  34           H6         C  34   1.530 -26.850  12.525
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  13.068 -30.384  -1.477
    2   2H5*    G   1          2H5*        G   1  11.886 -29.600  -2.540
    3    H4*    G   1           H4*        G   1  11.154 -31.761  -2.551
    4    H3*    G   1           H3*        G   1   9.594 -30.220  -0.524
    5    H2*    G   1           H2*        G   1   8.517 -32.227   0.262
    6   2HO*    G   1          2HO*        G   1   8.315 -33.909  -1.031
    7    H1*    G   1           H1*        G   1  10.788 -33.724   0.515
    8    H8     G   1           H8         G   1  12.316 -30.502   1.195
    9    H1     G   1           H1         G   1   8.326 -32.270   5.891
   10   1H2     G   1          1H2         G   1   7.197 -34.608   3.617
   11   2H2     G   1          2H2         G   1   7.048 -33.921   5.219
   12    H5T    G   1           H5T        G   1  12.410 -28.616  -0.372
   13   1H5*    A   2          1H5*        A   2   6.300 -32.363  -2.387
   14   2H5*    A   2          2H5*        A   2   5.464 -31.072  -3.272
   15    H4*    A   2           H4*        A   2   3.763 -32.255  -2.227
   16    H3*    A   2           H3*        A   2   4.371 -29.694  -0.835
   17    H2*    A   2           H2*        A   2   2.918 -30.228   1.004
   18   2HO*    A   2          2HO*        A   2   1.318 -31.644   0.784
   19    H1*    A   2           H1*        A   2   3.862 -32.759   1.438
   20    H8     A   2           H8         A   2   6.934 -31.448   0.123
   21   1H6     A   2          1H6         A   2   8.626 -28.970   3.942
   22   2H6     A   2          2H6         A   2   7.874 -28.364   5.409
   23    H2     A   2           H2         A   2   3.562 -29.514   5.214
   24   1H5*    G   3          1H5*        G   3  -0.021 -30.288  -0.943
   25   2H5*    G   3          2H5*        G   3  -0.690 -28.781  -1.596
   26    H4*    G   3           H4*        G   3  -1.968 -29.502   0.310
   27    H3*    G   3           H3*        G   3  -0.423 -26.953   0.668
   28    H2*    G   3           H2*        G   3  -1.269 -26.794   2.929
   29   2HO*    G   3          2HO*        G   3  -3.096 -27.763   3.441
   30    H1*    G   3           H1*        G   3  -0.655 -29.402   3.606
   31    H8     G   3           H8         G   3   2.023 -28.695   1.220
   32    H1     G   3           H1         G   3   2.813 -25.539   6.745
   33   1H2     G   3          1H2         G   3  -0.449 -26.388   7.361
   34   2H2     G   3          2H2         G   3   0.995 -25.569   7.915
   35   1H5*    C   4          1H5*        C   4  -3.784 -26.333   2.636
   36   2H5*    C   4          2H5*        C   4  -4.646 -24.902   2.039
   37    H4*    C   4           H4*        C   4  -4.450 -24.825   4.439
   38    H3*    C   4           H3*        C   4  -2.937 -22.720   2.927
   39    H2*    C   4           H2*        C   4  -2.092 -21.843   4.997
   40   2HO*    C   4          2HO*        C   4  -3.689 -21.888   6.454
   41    H1*    C   4           H1*        C   4  -1.555 -24.332   6.182
   42   1H4     C   4          1H4         C   4   3.548 -23.337   2.156
   43   2H4     C   4          2H4         C   4   4.009 -22.637   3.691
   44    H5     C   4           H5         C   4   1.318 -24.173   1.712
   45    H6     C   4           H6         C   4  -0.888 -24.567   2.671
   46   1H5*    C   5          1H5*        C   5  -5.268 -20.691   5.819
   47   2H5*    C   5          2H5*        C   5  -6.138 -19.318   5.109
   48    H4*    C   5           H4*        C   5  -4.941 -18.643   7.093
   49    H3*    C   5           H3*        C   5  -4.016 -17.430   4.508
   50    H2*    C   5           H2*        C   5  -2.272 -16.264   5.677
   51   2HO*    C   5          2HO*        C   5  -4.028 -16.626   7.761
   52    H1*    C   5           H1*        C   5  -1.589 -18.383   7.404
   53   1H4     C   5          1H4         C   5   1.599 -19.712   1.795
   54   2H4     C   5          2H4         C   5   2.685 -18.705   2.721
   55    H5     C   5           H5         C   5  -0.679 -20.183   2.490
   56    H6     C   5           H6         C   5  -2.365 -19.771   4.206
   57   1H5*    G   6          1H5*        G   6  -4.269 -14.937   7.588
   58   2H5*    G   6          2H5*        G   6  -5.160 -13.413   7.416
   59    H4*    G   6           H4*        G   6  -3.015 -13.130   8.560
   60    H3*    G   6           H3*        G   6  -3.310 -11.677   5.932
   61    H2*    G   6           H2*        G   6  -1.103 -10.754   6.321
   62   2HO*    G   6          2HO*        G   6  -1.652 -11.681   8.911
   63    H1*    G   6           H1*        G   6   0.022 -13.199   7.059
   64    H8     G   6           H8         G   6  -2.525 -13.770   4.337
   65    H1     G   6           H1         G   6   3.185 -11.771   2.231
   66   1H2     G   6          1H2         G   6   3.832 -11.131   5.585
   67   2H2     G   6          2H2         G   6   4.406 -11.061   3.937
   68   1H5*    U   7          1H5*        U   7  -1.561  -9.652   8.652
   69   2H5*    U   7          2H5*        U   7  -2.050  -7.981   8.992
   70    H4*    U   7           H4*        U   7   0.345  -8.138   8.769
   71    H3*    U   7           H3*        U   7  -1.048  -6.550   6.632
   72    H2*    U   7           H2*        U   7   1.093  -6.113   5.620
   73   2HO*    U   7          2HO*        U   7   1.943  -6.741   8.178
   74    H1*    U   7           H1*        U   7   2.092  -8.720   5.950
   75    H3     U   7           H3         U   7   1.390  -8.078   1.470
   76    H5     U   7           H5         U   7  -2.268  -9.362   3.036
   77    H6     U   7           H6         U   7  -1.412  -8.925   5.230
   78   1H5*    A   8          1H5*        A   8   2.237  -4.969   8.207
   79   2H5*    A   8          2H5*        A   8   2.190  -3.291   8.781
   80    H4*    A   8           H4*        A   8   4.214  -3.668   7.558
   81    H3*    A   8           H3*        A   8   2.268  -1.889   6.085
   82    H2*    A   8           H2*        A   8   3.982  -1.594   4.433
   83   2HO*    A   8          2HO*        A   8   5.554  -1.824   6.537
   84    H1*    A   8           H1*        A   8   4.922  -4.307   4.647
   85    H8     A   8           H8         A   8   1.258  -4.474   4.145
   86   1H6     A   8          1H6         A   8   1.145  -4.207  -0.690
   87   2H6     A   8          2H6         A   8   2.338  -3.748  -1.895
   88    H2     A   8           H2         A   8   6.081  -2.707   0.297
   89   1H5*    U   9          1H5*        U   9   5.058   0.016   5.768
   90   2H5*    U   9          2H5*        U   9   5.267   1.602   6.536
   91    H4*    U   9           H4*        U   9   5.820   1.976   4.321
   92    H3*    U   9           H3*        U   9   2.986   2.859   4.809
   93    H2*    U   9           H2*        U   9   2.804   3.465   2.503
   94   2HO*    U   9          2HO*        U   9   5.478   3.840   2.835
   95    H1*    U   9           H1*        U   9   4.432   1.321   1.520
   96    H3     U   9           H3         U   9   0.372   0.800  -0.445
   97    H5     U   9           H5         U   9  -0.056  -0.785   3.420
   98    H6     U   9           H6         U   9   2.104   0.124   3.948
   99   1H5*    G  10          1H5*        G  10   5.760   5.524   3.161
  100   2H5*    G  10          2H5*        G  10   5.832   7.145   3.875
  101    H4*    G  10           H4*        G  10   6.116   7.170   1.444
  102    H3*    G  10           H3*        G  10   3.713   8.620   2.541
  103    H2*    G  10           H2*        G  10   3.168   9.255   0.268
  104   2HO*    G  10          2HO*        G  10   5.767   8.961  -0.092
  105    H1*    G  10           H1*        G  10   3.458   6.698  -0.753
  106    H8     G  10           H8         G  10   2.183   6.170   2.706
  107    H1     G  10           H1         G  10  -2.288   8.457  -1.281
  108   1H2     G  10          1H2         G  10   0.374   9.121  -3.378
  109   2H2     G  10          2H2         G  10  -1.357   9.187  -3.125
  110   1H5*    C  11          1H5*        C  11   6.275  10.846  -0.110
  111   2H5*    C  11          2H5*        C  11   6.555  12.517   0.417
  112    H4*    C  11           H4*        C  11   6.134  12.405  -1.965
  113    H3*    C  11           H3*        C  11   4.138  13.908  -0.312
  114    H2*    C  11           H2*        C  11   2.796  14.299  -2.277
  115   2HO*    C  11          2HO*        C  11   3.755  14.384  -4.160
  116    H1*    C  11           H1*        C  11   2.866  11.702  -3.203
  117   1H4     C  11          1H4         C  11  -1.081  11.263   2.062
  118   2H4     C  11          2H4         C  11  -2.057  12.021   0.841
  119    H5     C  11           H5         C  11   1.293  10.775   1.720
  120    H6     C  11           H6         C  11   3.181  11.084   0.205
  121   1H5*    G  12          1H5*        G  12   5.045  15.646  -3.863
  122   2H5*    G  12          2H5*        G  12   5.219  17.411  -3.901
  123    H4*    G  12           H4*        G  12   3.689  16.653  -5.612
  124    H3*    G  12           H3*        G  12   2.573  18.414  -3.473
  125    H2*    G  12           H2*        G  12   0.338  18.138  -4.342
  126   2HO*    G  12          2HO*        G  12   1.745  17.514  -6.593
  127    H1*    G  12           H1*        G  12   0.437  15.403  -4.603
  128    H8     G  12           H8         G  12   2.701  16.114  -1.751
  129    H1     G  12           H1         G  12  -3.503  16.365  -0.205
  130   1H2     G  12          1H2         G  12  -4.010  16.410  -3.622
  131   2H2     G  12          2H2         G  12  -4.740  16.446  -2.033
  132   1H5*    A  13          1H5*        A  13   0.714  19.419  -7.249
  133   2H5*    A  13          2H5*        A  13   0.948  21.163  -7.477
  134    H4*    A  13           H4*        A  13  -1.320  20.570  -7.978
  135    H3*    A  13           H3*        A  13  -0.874  22.357  -5.640
  136    H2*    A  13           H2*        A  13  -3.186  22.255  -4.995
  137   2HO*    A  13          2HO*        A  13  -4.074  22.371  -7.110
  138    H1*    A  13           H1*        A  13  -3.533  19.532  -5.308
  139    H8     A  13           H8         A  13   0.005  20.176  -4.251
  140   1H6     A  13          1H6         A  13  -0.550  19.763   0.540
  141   2H6     A  13          2H6         A  13  -1.950  19.681   1.590
  142    H2     A  13           H2         A  13  -5.547  19.882  -1.035
  143   1H5*    U  14          1H5*        U  14  -4.191  24.078  -7.327
  144   2H5*    U  14          2H5*        U  14  -4.031  25.845  -7.345
  145    H4*    U  14           H4*        U  14  -5.967  25.218  -6.080
  146    H3*    U  14           H3*        U  14  -3.724  26.425  -4.488
  147    H2*    U  14           H2*        U  14  -5.055  26.210  -2.499
  148   2HO*    U  14          2HO*        U  14  -7.035  26.487  -4.207
  149    H1*    U  14           H1*        U  14  -5.969  23.620  -3.062
  150    H3     U  14           H3         U  14  -2.998  23.154   0.351
  151    H5     U  14           H5         U  14  -0.641  23.477  -3.087
  152    H6     U  14           H6         U  14  -2.630  23.931  -4.332
  153   1H5*    G  15          1H5*        G  15  -5.797  29.818  -3.522
  154   2H5*    G  15          2H5*        G  15  -4.507  31.021  -3.342
  155    H4*    G  15           H4*        G  15  -5.441  30.003  -1.225
  156    H3*    G  15           H3*        G  15  -2.472  30.036  -1.749
  157    H2*    G  15           H2*        G  15  -2.214  29.119   0.493
  158   2HO*    G  15          2HO*        G  15  -4.476  30.330   0.927
  159    H1*    G  15           H1*        G  15  -4.086  27.127   0.077
  160    H8     G  15           H8         G  15  -2.537  27.715  -3.238
  161    H1     G  15           H1         G  15   1.306  24.482   0.728
  162   1H2     G  15          1H2         G  15  -0.889  25.490   3.184
  163   2H2     G  15          2H2         G  15   0.582  24.634   2.785
  164   1H5*    A  16          1H5*        A  16  -0.739  29.967  -0.438
  165   2H5*    A  16          2H5*        A  16  -1.527  31.013   0.761
  166    H4*    A  16           H4*        A  16   1.356  31.173  -0.105
  167    H3*    A  16           H3*        A  16   0.556  29.223   1.548
  168    H2*    A  16           H2*        A  16  -0.449  30.389   3.337
  169   2HO*    A  16          2HO*        A  16   1.033  30.397   4.873
  170    H1*    A  16           H1*        A  16   1.230  32.865   3.199
  171    H8     A  16           H8         A  16  -2.121  32.724   1.467
  172   1H6     A  16          1H6         A  16  -4.774  34.814   4.967
  173   2H6     A  16          2H6         A  16  -4.455  35.173   6.650
  174    H2     A  16           H2         A  16  -0.302  33.769   7.529
  175   1H5*    A  17          1H5*        A  17   3.747  27.438   4.002
  176   2H5*    A  17          2H5*        A  17   2.749  25.988   3.809
  177    H4*    A  17           H4*        A  17   2.671  27.682   5.932
  178    H3*    A  17           H3*        A  17   0.549  25.791   4.925
  179    H2*    A  17           H2*        A  17  -0.894  26.642   6.645
  180   2HO*    A  17          2HO*        A  17   1.293  26.799   8.001
  181    H1*    A  17           H1*        A  17   0.020  29.341   6.409
  182    H8     A  17           H8         A  17  -0.756  27.751   3.068
  183   1H6     A  17          1H6         A  17  -5.398  29.117   2.720
  184   2H6     A  17          2H6         A  17  -6.534  29.838   3.848
  185    H2     A  17           H2         A  17  -4.322  30.408   7.701
  186   1H5*    A  18          1H5*        A  18   1.153  24.147   8.840
  187   2H5*    A  18          2H5*        A  18   0.563  22.474   8.880
  188    H4*    A  18           H4*        A  18  -0.844  24.033  10.151
  189    H3*    A  18           H3*        A  18  -2.001  22.416   7.930
  190    H2*    A  18           H2*        A  18  -4.115  23.542   8.105
  191   2HO*    A  18          2HO*        A  18  -3.404  23.750  10.632
  192    H1*    A  18           H1*        A  18  -3.119  26.121   8.372
  193    H8     A  18           H8         A  18  -0.890  24.146   6.057
  194   1H6     A  18          1H6         A  18  -3.043  25.257   1.860
  195   2H6     A  18          2H6         A  18  -4.542  26.071   1.455
  196    H2     A  18           H2         A  18  -6.483  27.207   5.339
  197   1H5*    G  19          1H5*        G  19  -4.833  21.571  10.632
  198   2H5*    G  19          2H5*        G  19  -5.484  19.933  10.426
  199    H4*    G  19           H4*        G  19  -7.118  21.572   9.777
  200    H3*    G  19           H3*        G  19  -6.045  19.912   7.502
  201    H2*    G  19           H2*        G  19  -7.621  21.061   6.063
  202   2HO*    G  19          2HO*        G  19  -9.223  22.314   6.864
  203    H1*    G  19           H1*        G  19  -6.867  23.575   6.930
  204    H8     G  19           H8         G  19  -3.752  21.596   7.259
  205    H1     G  19           H1         G  19  -5.192  22.962   1.175
  206   1H2     G  19          1H2         G  19  -8.272  23.866   2.417
  207   2H2     G  19          2H2         G  19  -7.239  23.703   1.011
  208   1H5*    U  20          1H5*        U  20  -9.577  20.231   6.886
  209   2H5*    U  20          2H5*        U  20 -10.590  18.800   6.616
  210    H4*    U  20           H4*        U  20 -10.946  20.216   4.780
  211    H3*    U  20           H3*        U  20  -9.210  17.859   4.128
  212    H2*    U  20           H2*        U  20  -8.975  18.648   1.870
  213   2HO*    U  20          2HO*        U  20 -10.440  19.922   0.989
  214    H1*    U  20           H1*        U  20  -8.517  21.314   2.544
  215    H3     U  20           H3         U  20  -4.496  19.617   1.222
  216    H5     U  20           H5         U  20  -4.862  18.572   5.255
  217    H6     U  20           H6         U  20  -7.141  19.333   5.177
  218   1H5*    C  21          1H5*        C  21 -11.625  18.571   1.285
  219   2H5*    C  21          2H5*        C  21 -12.669  17.277   0.664
  220    H4*    C  21           H4*        C  21 -11.661  18.209  -1.219
  221    H3*    C  21           H3*        C  21 -10.342  15.623  -0.445
  222    H2*    C  21           H2*        C  21  -8.859  15.865  -2.333
  223   2HO*    C  21          2HO*        C  21 -10.906  17.291  -3.283
  224    H1*    C  21           H1*        C  21  -8.307  18.565  -1.870
  225   1H4     C  21          1H4         C  21  -4.809  15.334   2.676
  226   2H4     C  21          2H4         C  21  -3.672  15.653   1.400
  227    H5     C  21           H5         C  21  -7.156  15.789   2.562
  228    H6     C  21           H6         C  21  -8.937  16.743   1.205
  229   1H5*    G  22          1H5*        G  22 -10.687  15.486  -4.108
  230   2H5*    G  22          2H5*        G  22 -11.492  14.104  -4.875
  231    H4*    G  22           H4*        G  22  -9.432  14.227  -5.932
  232    H3*    G  22           H3*        G  22  -9.217  12.135  -3.762
  233    H2*    G  22           H2*        G  22  -7.000  11.701  -4.607
  234   2HO*    G  22          2HO*        G  22  -8.110  12.662  -6.875
  235    H1*    G  22           H1*        G  22  -6.408  14.455  -4.984
  236    H8     G  22           H8         G  22  -8.143  13.612  -1.677
  237    H1     G  22           H1         G  22  -1.773  12.992  -1.593
  238   1H2     G  22          1H2         G  22  -1.971  13.461  -5.020
  239   2H2     G  22          2H2         G  22  -0.949  13.191  -3.624
  240   1H5*    C  23          1H5*        C  23  -7.948  10.710  -7.172
  241   2H5*    C  23          2H5*        C  23  -8.574   9.140  -7.712
  242    H4*    C  23           H4*        C  23  -6.226   9.073  -7.943
  243    H3*    C  23           H3*        C  23  -7.160   7.473  -5.566
  244    H2*    C  23           H2*        C  23  -4.873   6.851  -5.178
  245   2HO*    C  23          2HO*        C  23  -4.646   6.804  -7.679
  246    H1*    C  23           H1*        C  23  -3.821   9.416  -5.766
  247   1H4     C  23          1H4         C  23  -5.671   9.645   0.552
  248   2H4     C  23          2H4         C  23  -4.042   9.003   0.561
  249    H5     C  23           H5         C  23  -6.920  10.027  -1.501
  250    H6     C  23           H6         C  23  -6.833   9.894  -3.935
  251   1H5*    A  24          1H5*        A  24  -6.702   4.172  -9.021
  252   2H5*    A  24          2H5*        A  24  -7.008   2.598  -8.263
  253    H4*    A  24           H4*        A  24  -4.615   3.213  -9.001
  254    H3*    A  24           H3*        A  24  -5.339   1.869  -6.416
  255    H2*    A  24           H2*        A  24  -3.026   1.917  -5.756
  256   2HO*    A  24          2HO*        A  24  -2.533   1.617  -8.232
  257    H1*    A  24           H1*        A  24  -2.544   4.541  -6.577
  258    H8     A  24           H8         A  24  -6.026   4.289  -5.154
  259   1H6     A  24          1H6         A  24  -4.957   5.159  -0.488
  260   2H6     A  24          2H6         A  24  -3.443   5.280   0.389
  261    H2     A  24           H2         A  24  -0.157   4.597  -2.570
  262   1H5*    C  25          1H5*        C  25  -3.537  -2.509  -6.911
  263   2H5*    C  25          2H5*        C  25  -3.220  -2.128  -5.206
  264    H4*    C  25           H4*        C  25  -2.146  -0.802  -7.672
  265    H3*    C  25           H3*        C  25  -0.935  -2.777  -6.354
  266    H2*    C  25           H2*        C  25  -0.706  -1.904  -4.170
  267   2HO*    C  25          2HO*        C  25   1.314  -0.942  -5.821
  268    H1*    C  25           H1*        C  25  -0.326   0.968  -4.973
  269   1H4     C  25          1H4         C  25  -4.331   0.510   0.260
  270   2H4     C  25          2H4         C  25  -2.879   1.317   0.811
  271    H5     C  25           H5         C  25  -4.557  -0.382  -1.989
  272    H6     C  25           H6         C  25  -3.475  -0.634  -4.136
  273   1H5*    G  26          1H5*        G  26   0.306  -4.699  -9.758
  274   2H5*    G  26          2H5*        G  26  -0.792  -5.397  -8.553
  275    H4*    G  26           H4*        G  26   1.908  -4.171  -8.194
  276    H3*    G  26           H3*        G  26   0.597  -6.716  -7.266
  277    H2*    G  26           H2*        G  26   1.976  -6.692  -5.317
  278   2HO*    G  26          2HO*        G  26   3.849  -5.973  -6.627
  279    H1*    G  26           H1*        G  26   1.813  -3.900  -4.914
  280    H8     G  26           H8         G  26   0.971  -4.439  -2.591
  281    H1     G  26           H1         G  26  -4.197  -7.388  -4.975
  282   1H2     G  26          1H2         G  26  -2.639  -6.952  -8.033
  283   2H2     G  26          2H2         G  26  -4.034  -7.559  -7.167
  284   1H5*    U  27          1H5*        U  27   4.449  -2.788  -9.209
  285   2H5*    U  27          2H5*        U  27   5.238  -4.220  -9.895
  286    H4*    U  27           H4*        U  27   6.917  -3.581  -8.562
  287    H3*    U  27           H3*        U  27   5.185  -5.123  -6.637
  288    H2*    U  27           H2*        U  27   6.784  -4.590  -4.923
  289   2HO*    U  27          2HO*        U  27   8.440  -4.557  -7.019
  290    H1*    U  27           H1*        U  27   7.181  -1.921  -5.806
  291    H3     U  27           H3         U  27   5.215  -1.913  -1.642
  292    H5     U  27           H5         U  27   2.099  -2.075  -4.426
  293    H6     U  27           H6         U  27   3.726  -2.559  -6.125
  294   1H5*    A  28          1H5*        A  28   8.396  -5.816  -5.714
  295   2H5*    A  28          2H5*        A  28   9.103  -7.433  -5.568
  296    H4*    A  28           H4*        A  28   9.433  -6.174  -3.542
  297    H3*    A  28           H3*        A  28   7.636  -8.572  -3.316
  298    H2*    A  28           H2*        A  28   7.417  -8.103  -0.950
  299   2HO*    A  28          2HO*        A  28   9.781  -7.039  -1.264
  300    H1*    A  28           H1*        A  28   6.877  -5.399  -1.291
  301    H8     A  28           H8         A  28   5.322  -6.672  -4.285
  302   1H6     A  28          1H6         A  28   1.114  -8.343  -2.541
  303   2H6     A  28          2H6         A  28   0.535  -8.686  -0.924
  304    H2     A  28           H2         A  28   3.836  -7.665   1.893
  305   1H5*    C  29          1H5*        C  29  10.737  -9.096  -0.403
  306   2H5*    C  29          2H5*        C  29  11.418 -10.729  -0.545
  307    H4*    C  29           H4*        C  29  10.872 -10.231   1.750
  308    H3*    C  29           H3*        C  29   9.259 -12.410   0.459
  309    H2*    C  29           H2*        C  29   8.041 -12.692   2.515
  310   2HO*    C  29          2HO*        C  29   9.202 -12.368   4.268
  311    H1*    C  29           H1*        C  29   7.633  -9.971   2.960
  312   1H4     C  29          1H4         C  29   3.306 -11.299  -1.777
  313   2H4     C  29          2H4         C  29   2.580 -11.984  -0.344
  314    H5     C  29           H5         C  29   5.563 -10.434  -1.838
  315    H6     C  29           H6         C  29   7.572 -10.018  -0.515
  316   1H5*    G  30          1H5*        G  30  11.143 -13.206   4.188
  317   2H5*    G  30          2H5*        G  30  11.875 -14.814   4.345
  318    H4*    G  30           H4*        G  30  10.670 -14.209   6.351
  319    H3*    G  30           H3*        G  30   9.568 -16.541   4.813
  320    H2*    G  30           H2*        G  30   7.819 -16.754   6.460
  321   2HO*    G  30          2HO*        G  30   8.381 -16.209   8.435
  322    H1*    G  30           H1*        G  30   7.169 -14.061   6.493
  323    H8     G  30           H8         G  30   8.155 -14.588   2.987
  324    H1     G  30           H1         G  30   2.483 -17.225   4.386
  325   1H2     G  30          1H2         G  30   3.353 -16.622   7.664
  326   2H2     G  30          2H2         G  30   2.165 -17.236   6.532
  327   1H5*    G  31          1H5*        G  31   9.993 -16.991   8.901
  328   2H5*    G  31          2H5*        G  31  10.716 -18.508   9.471
  329    H4*    G  31           H4*        G  31   8.837 -17.955  10.843
  330    H3*    G  31           H3*        G  31   8.487 -20.377   9.110
  331    H2*    G  31           H2*        G  31   6.249 -20.653  10.002
  332   2HO*    G  31          2HO*        G  31   5.803 -19.847  11.917
  333    H1*    G  31           H1*        G  31   5.485 -18.058   9.535
  334    H8     G  31           H8         G  31   8.073 -18.677   6.955
  335    H1     G  31           H1         G  31   2.437 -21.315   5.459
  336   1H2     G  31          1H2         G  31   1.593 -20.657   8.759
  337   2H2     G  31          2H2         G  31   1.103 -21.337   7.222
  338   1H5*    U  32          1H5*        U  32   6.865 -21.175  12.469
  339   2H5*    U  32          2H5*        U  32   7.215 -22.751  13.205
  340    H4*    U  32           H4*        U  32   4.844 -22.475  12.941
  341    H3*    U  32           H3*        U  32   6.137 -24.606  11.284
  342    H2*    U  32           H2*        U  32   4.041 -25.092  10.222
  343   2HO*    U  32          2HO*        U  32   3.052 -24.489  12.511
  344    H1*    U  32           H1*        U  32   3.204 -22.433   9.921
  345    H3     U  32           H3         U  32   4.162 -24.066   5.759
  346    H5     U  32           H5         U  32   7.762 -22.535   7.247
  347    H6     U  32           H6         U  32   6.692 -22.284   9.382
  348   1H5*    U  33          1H5*        U  33   2.972 -26.689  13.245
  349   2H5*    U  33          2H5*        U  33   3.564 -28.255  13.834
  350    H4*    U  33           H4*        U  33   1.652 -28.558  12.397
  351    H3*    U  33           H3*        U  33   4.255 -29.659  11.406
  352    H2*    U  33           H2*        U  33   3.197 -30.343   9.349
  353   2HO*    U  33          2HO*        U  33   1.089 -30.566  10.853
  354    H1*    U  33           H1*        U  33   1.855 -27.965   8.903
  355    H3     U  33           H3         U  33   5.470 -28.101   6.124
  356    H5     U  33           H5         U  33   6.864 -26.400   9.694
  357    H6     U  33           H6         U  33   4.757 -26.986  10.701
  358   1H5*    C  34          1H5*        C  34   1.418 -32.807  10.650
  359   2H5*    C  34          2H5*        C  34   2.053 -34.249  11.468
  360    H4*    C  34           H4*        C  34   1.440 -34.862   9.261
  361    H3*    C  34           H3*        C  34   4.385 -34.829   9.778
  362    H2*    C  34           H2*        C  34   4.847 -35.328   7.476
  363   2HO*    C  34          2HO*        C  34   2.511 -36.535   7.654
  364    H1*    C  34           H1*        C  34   2.984 -33.575   6.372
  365   1H4     C  34          1H4         C  34   7.932 -29.664   8.281
  366   2H4     C  34          2H4         C  34   8.332 -30.166   6.655
  367    H5     C  34           H5         C  34   6.031 -30.545   9.499
  368    H6     C  34           H6         C  34   4.143 -32.083   9.404
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  17.075 -30.264   2.934
    2   2H5*    G   1          2H5*        G   1  16.552 -29.316   1.531
    3    H4*    G   1           H4*        G   1  15.544 -31.422   1.324
    4    H3*    G   1           H3*        G   1  13.586 -29.320   2.202
    5    H2*    G   1           H2*        G   1  11.854 -31.010   2.234
    6   2HO*    G   1          2HO*        G   1  13.227 -32.118   0.374
    7    H1*    G   1           H1*        G   1  13.339 -32.858   3.663
    8    H8     G   1           H8         G   1  14.601 -29.664   4.991
    9    H1     G   1           H1         G   1   8.758 -31.100   7.213
   10   1H2     G   1          1H2         G   1   8.738 -33.499   4.718
   11   2H2     G   1          2H2         G   1   7.886 -32.749   6.048
   12    H5T    G   1           H5T        G   1  16.456 -28.370   3.787
   13   1H5*    A   2          1H5*        A   2  11.302 -31.321  -0.434
   14   2H5*    A   2          2H5*        A   2  10.990 -30.232  -1.800
   15    H4*    A   2           H4*        A   2   8.899 -31.048  -1.323
   16    H3*    A   2           H3*        A   2   9.146 -28.428   0.148
   17    H2*    A   2           H2*        A   2   6.870 -28.753   0.884
   18   2HO*    A   2          2HO*        A   2   6.658 -30.079  -1.360
   19    H1*    A   2           H1*        A   2   7.251 -31.440   1.574
   20    H8     A   2           H8         A   2  10.418 -29.965   2.647
   21   1H6     A   2          1H6         A   2   9.065 -27.936   6.847
   22   2H6     A   2          2H6         A   2   7.504 -27.574   7.554
   23    H2     A   2           H2         A   2   4.401 -28.983   4.642
   24   1H5*    G   3          1H5*        G   3   5.688 -28.827  -2.484
   25   2H5*    G   3          2H5*        G   3   5.394 -27.313  -3.359
   26    H4*    G   3           H4*        G   3   3.320 -28.238  -2.565
   27    H3*    G   3           H3*        G   3   4.139 -25.659  -1.245
   28    H2*    G   3           H2*        G   3   2.051 -25.738  -0.011
   29   2HO*    G   3          2HO*        G   3   1.276 -27.192  -2.082
   30    H1*    G   3           H1*        G   3   2.387 -28.368   0.790
   31    H8     G   3           H8         G   3   5.865 -27.188   0.634
   32    H1     G   3           H1         G   3   2.675 -24.751   5.638
   33   1H2     G   3          1H2         G   3  -0.128 -25.936   4.032
   34   2H2     G   3          2H2         G   3   0.535 -25.092   5.416
   35   1H5*    C   4          1H5*        C   4   0.304 -25.618  -1.738
   36   2H5*    C   4          2H5*        C   4  -0.294 -24.263  -2.714
   37    H4*    C   4           H4*        C   4  -1.638 -24.518  -0.738
   38    H3*    C   4           H3*        C   4  -0.014 -22.007  -0.920
   39    H2*    C   4           H2*        C   4  -0.793 -21.330   1.254
   40   2HO*    C   4          2HO*        C   4  -2.922 -22.643   0.574
   41    H1*    C   4           H1*        C   4  -0.461 -23.804   2.485
   42   1H4     C   4          1H4         C   4   5.679 -21.496   1.979
   43   2H4     C   4          2H4         C   4   5.061 -20.821   3.465
   44    H5     C   4           H5         C   4   4.309 -22.743   0.429
   45    H6     C   4           H6         C   4   2.074 -23.603  -0.007
   46   1H5*    C   5          1H5*        C   5  -4.182 -20.705  -0.215
   47   2H5*    C   5          2H5*        C   5  -4.508 -19.352  -1.313
   48    H4*    C   5           H4*        C   5  -5.128 -18.795   0.954
   49    H3*    C   5           H3*        C   5  -2.889 -17.198  -0.242
   50    H2*    C   5           H2*        C   5  -2.630 -16.003   1.837
   51   2HO*    C   5          2HO*        C   5  -5.212 -16.708   2.105
   52    H1*    C   5           H1*        C   5  -2.746 -18.242   3.478
   53   1H4     C   5          1H4         C   5   3.235 -18.649   0.777
   54   2H4     C   5          2H4         C   5   3.411 -17.499   2.078
   55    H5     C   5           H5         C   5   1.097 -19.559   0.101
   56    H6     C   5           H6         C   5  -1.307 -19.520   0.527
   57   1H5*    G   6          1H5*        G   6  -5.724 -15.081   1.872
   58   2H5*    G   6          2H5*        G   6  -6.481 -13.729   1.008
   59    H4*    G   6           H4*        G   6  -6.054 -13.152   3.315
   60    H3*    G   6           H3*        G   6  -4.568 -11.585   1.238
   61    H2*    G   6           H2*        G   6  -3.398 -10.379   2.981
   62   2HO*    G   6          2HO*        G   6  -5.560 -11.014   4.378
   63    H1*    G   6           H1*        G   6  -2.661 -12.604   4.415
   64    H8     G   6           H8         G   6  -2.893 -13.793   0.892
   65    H1     G   6           H1         G   6   2.494 -10.553   2.107
   66   1H2     G   6          1H2         G   6   0.919  -9.645   5.059
   67   2H2     G   6          2H2         G   6   2.341  -9.519   4.051
   68   1H5*    U   7          1H5*        U   7  -5.690  -9.196   4.293
   69   2H5*    U   7          2H5*        U   7  -6.438  -7.658   3.824
   70    H4*    U   7           H4*        U   7  -4.661  -7.291   5.406
   71    H3*    U   7           H3*        U   7  -4.226  -6.161   2.663
   72    H2*    U   7           H2*        U   7  -2.048  -5.369   3.355
   73   2HO*    U   7          2HO*        U   7  -2.014  -4.781   5.412
   74    H1*    U   7           H1*        U   7  -1.244  -7.737   4.527
   75    H3     U   7           H3         U   7   0.721  -7.609   0.367
   76    H5     U   7           H5         U   7  -3.027  -9.374  -0.158
   77    H6     U   7           H6         U   7  -3.593  -8.672   2.077
   78   1H5*    A   8          1H5*        A   8  -3.307  -3.656   5.839
   79   2H5*    A   8          2H5*        A   8  -3.635  -1.930   5.596
   80    H4*    A   8           H4*        A   8  -1.376  -2.250   6.356
   81    H3*    A   8           H3*        A   8  -1.628  -1.262   3.525
   82    H2*    A   8           H2*        A   8   0.784  -1.184   3.424
   83   2HO*    A   8          2HO*        A   8   1.565  -0.548   5.325
   84    H1*    A   8           H1*        A   8   1.155  -3.698   4.590
   85    H8     A   8           H8         A   8  -1.896  -3.765   2.322
   86   1H6     A   8          1H6         A   8   0.333  -4.872  -1.750
   87   2H6     A   8          2H6         A   8   1.984  -4.984  -2.286
   88    H2     A   8           H2         A   8   4.444  -4.100   1.447
   89   1H5*    U   9          1H5*        U   9   0.787   1.098   5.725
   90   2H5*    U   9          2H5*        U   9   0.782   2.854   5.468
   91    H4*    U   9           H4*        U   9   3.011   1.823   5.238
   92    H3*    U   9           H3*        U   9   1.823   3.370   2.963
   93    H2*    U   9           H2*        U   9   3.615   2.759   1.530
   94   2HO*    U   9          2HO*        U   9   5.616   2.095   2.370
   95    H1*    U   9           H1*        U   9   4.158   0.205   2.725
   96    H3     U   9           H3         U   9   3.455  -0.126  -1.827
   97    H5     U   9           H5         U   9  -0.241  -0.749   0.054
   98    H6     U   9           H6         U   9   0.748   0.027   2.102
   99   1H5*    G  10          1H5*        G  10   4.440   4.470   1.969
  100   2H5*    G  10          2H5*        G  10   4.887   6.181   2.068
  101    H4*    G  10           H4*        G  10   4.885   5.408  -0.228
  102    H3*    G  10           H3*        G  10   2.910   7.528   0.527
  103    H2*    G  10           H2*        G  10   1.997   7.499  -1.708
  104   2HO*    G  10          2HO*        G  10   4.384   6.781  -2.393
  105    H1*    G  10           H1*        G  10   1.737   4.759  -1.864
  106    H8     G  10           H8         G  10   1.331   5.471   1.755
  107    H1     G  10           H1         G  10  -3.809   7.175  -1.674
  108   1H2     G  10          1H2         G  10  -1.734   6.720  -4.415
  109   2H2     G  10          2H2         G  10  -3.323   7.153  -3.833
  110   1H5*    C  11          1H5*        C  11   4.803   8.828  -3.078
  111   2H5*    C  11          2H5*        C  11   5.476  10.450  -2.827
  112    H4*    C  11           H4*        C  11   4.283  10.357  -4.913
  113    H3*    C  11           H3*        C  11   3.106  12.128  -2.800
  114    H2*    C  11           H2*        C  11   1.283  12.674  -4.290
  115   2HO*    C  11          2HO*        C  11   3.077  12.099  -6.146
  116    H1*    C  11           H1*        C  11   0.733  10.068  -5.014
  117   1H4     C  11          1H4         C  11  -1.271  10.397   1.269
  118   2H4     C  11          2H4         C  11  -2.597  11.028   0.328
  119    H5     C  11           H5         C  11   0.866   9.802   0.281
  120    H6     C  11           H6         C  11   2.148   9.720  -1.790
  121   1H5*    G  12          1H5*        G  12   3.220  13.999  -6.524
  122   2H5*    G  12          2H5*        G  12   3.792  15.678  -6.488
  123    H4*    G  12           H4*        G  12   1.759  15.535  -7.753
  124    H3*    G  12           H3*        G  12   1.645  17.078  -5.198
  125    H2*    G  12           H2*        G  12  -0.724  17.428  -5.465
  126   2HO*    G  12          2HO*        G  12  -0.086  17.075  -8.054
  127    H1*    G  12           H1*        G  12  -1.355  14.820  -6.116
  128    H8     G  12           H8         G  12   1.582  14.668  -3.792
  129    H1     G  12           H1         G  12  -4.049  15.343  -0.810
  130   1H2     G  12          1H2         G  12  -5.296  15.987  -3.973
  131   2H2     G  12          2H2         G  12  -5.632  15.832  -2.264
  132   1H5*    A  13          1H5*        A  13  -0.508  18.984  -8.187
  133   2H5*    A  13          2H5*        A  13  -0.316  20.748  -8.208
  134    H4*    A  13           H4*        A  13  -2.652  20.133  -8.123
  135    H3*    A  13           H3*        A  13  -1.545  21.584  -5.741
  136    H2*    A  13           H2*        A  13  -3.702  21.464  -4.679
  137   2HO*    A  13          2HO*        A  13  -4.560  21.520  -7.149
  138    H1*    A  13           H1*        A  13  -4.207  18.801  -5.358
  139    H8     A  13           H8         A  13  -0.539  19.149  -4.530
  140   1H6     A  13          1H6         A  13  -0.811  18.305   0.211
  141   2H6     A  13          2H6         A  13  -2.112  18.194   1.366
  142    H2     A  13           H2         A  13  -5.892  18.891  -0.993
  143   1H5*    U  14          1H5*        U  14  -4.935  23.420  -6.290
  144   2H5*    U  14          2H5*        U  14  -4.826  25.192  -6.305
  145    H4*    U  14           H4*        U  14  -6.352  24.591  -4.607
  146    H3*    U  14           H3*        U  14  -3.724  25.595  -3.580
  147    H2*    U  14           H2*        U  14  -4.413  25.185  -1.320
  148   2HO*    U  14          2HO*        U  14  -6.798  25.662  -2.331
  149    H1*    U  14           H1*        U  14  -5.568  22.687  -1.794
  150    H3     U  14           H3         U  14  -1.705  21.831   0.443
  151    H5     U  14           H5         U  14  -0.545  22.351  -3.542
  152    H6     U  14           H6         U  14  -2.789  23.046  -4.035
  153   1H5*    G  15          1H5*        G  15  -4.532  29.747  -2.220
  154   2H5*    G  15          2H5*        G  15  -2.809  30.032  -2.525
  155    H4*    G  15           H4*        G  15  -3.901  29.463  -0.107
  156    H3*    G  15           H3*        G  15  -1.085  29.163  -1.103
  157    H2*    G  15           H2*        G  15  -0.513  28.072   0.980
  158   2HO*    G  15          2HO*        G  15  -2.472  29.530   1.918
  159    H1*    G  15           H1*        G  15  -2.683  26.358   0.978
  160    H8     G  15           H8         G  15  -2.057  26.548  -2.612
  161    H1     G  15           H1         G  15   2.556  23.330   0.460
  162   1H2     G  15          1H2         G  15   1.132  24.588   3.316
  163   2H2     G  15          2H2         G  15   2.383  23.599   2.602
  164   1H5*    A  16          1H5*        A  16   0.884  28.725  -0.282
  165   2H5*    A  16          2H5*        A  16   0.473  29.795   1.073
  166    H4*    A  16           H4*        A  16   3.063  29.865  -0.463
  167    H3*    A  16           H3*        A  16   2.535  27.838   1.241
  168    H2*    A  16           H2*        A  16   2.166  28.953   3.286
  169   2HO*    A  16          2HO*        A  16   4.475  28.125   3.296
  170    H1*    A  16           H1*        A  16   3.991  31.283   2.731
  171    H8     A  16           H8         A  16   0.196  31.425   2.377
  172   1H6     A  16          1H6         A  16  -0.742  33.449   6.717
  173   2H6     A  16          2H6         A  16   0.248  33.731   8.131
  174    H2     A  16           H2         A  16   4.375  32.298   7.153
  175   1H5*    A  17          1H5*        A  17   6.050  25.727   2.884
  176   2H5*    A  17          2H5*        A  17   4.884  24.396   2.964
  177    H4*    A  17           H4*        A  17   5.496  26.186   4.978
  178    H3*    A  17           H3*        A  17   3.187  24.268   4.685
  179    H2*    A  17           H2*        A  17   2.178  25.278   6.592
  180   2HO*    A  17          2HO*        A  17   4.612  25.288   7.449
  181    H1*    A  17           H1*        A  17   3.333  27.908   6.121
  182    H8     A  17           H8         A  17   1.295  26.742   3.196
  183   1H6     A  17          1H6         A  17  -3.023  28.484   4.584
  184   2H6     A  17          2H6         A  17  -3.615  29.154   6.090
  185    H2     A  17           H2         A  17  -0.195  29.095   8.981
  186   1H5*    A  18          1H5*        A  18   4.500  21.696   8.366
  187   2H5*    A  18          2H5*        A  18   3.363  20.405   7.931
  188    H4*    A  18           H4*        A  18   2.889  21.894   9.987
  189    H3*    A  18           H3*        A  18   0.893  20.933   7.990
  190    H2*    A  18           H2*        A  18  -0.832  22.316   8.947
  191   2HO*    A  18          2HO*        A  18  -0.727  22.864  11.002
  192    H1*    A  18           H1*        A  18   0.664  24.626   9.131
  193    H8     A  18           H8         A  18   1.956  22.737   6.147
  194   1H6     A  18          1H6         A  18  -1.011  24.586   2.777
  195   2H6     A  18          2H6         A  18  -2.454  25.575   2.871
  196    H2     A  18           H2         A  18  -3.268  26.304   7.217
  197   1H5*    G  19          1H5*        G  19  -1.419  21.099  10.890
  198   2H5*    G  19          2H5*        G  19  -2.386  19.631  11.131
  199    H4*    G  19           H4*        G  19  -3.879  21.410  10.689
  200    H3*    G  19           H3*        G  19  -3.619  19.498   8.382
  201    H2*    G  19           H2*        G  19  -5.258  20.818   7.188
  202   2HO*    G  19          2HO*        G  19  -5.969  21.508   9.666
  203    H1*    G  19           H1*        G  19  -4.013  23.237   7.702
  204    H8     G  19           H8         G  19  -1.069  21.124   7.526
  205    H1     G  19           H1         G  19  -3.798  21.879   1.780
  206   1H2     G  19          1H2         G  19  -6.471  23.146   3.540
  207   2H2     G  19          2H2         G  19  -5.783  22.744   1.982
  208   1H5*    U  20          1H5*        U  20  -7.194  20.269   8.363
  209   2H5*    U  20          2H5*        U  20  -8.336  18.918   8.488
  210    H4*    U  20           H4*        U  20  -8.965  20.127   6.580
  211    H3*    U  20           H3*        U  20  -7.457  17.639   5.791
  212    H2*    U  20           H2*        U  20  -7.931  18.223   3.490
  213   2HO*    U  20          2HO*        U  20  -9.599  19.455   3.037
  214    H1*    U  20           H1*        U  20  -7.117  20.868   3.805
  215    H3     U  20           H3         U  20  -3.774  18.789   1.572
  216    H5     U  20           H5         U  20  -3.214  17.673   5.581
  217    H6     U  20           H6         U  20  -5.307  18.740   6.087
  218   1H5*    C  21          1H5*        C  21 -10.633  18.345   3.711
  219   2H5*    C  21          2H5*        C  21 -11.854  17.066   3.584
  220    H4*    C  21           H4*        C  21 -11.596  17.986   1.432
  221    H3*    C  21           H3*        C  21 -10.341  15.276   1.728
  222    H2*    C  21           H2*        C  21  -9.652  15.371  -0.580
  223   2HO*    C  21          2HO*        C  21 -11.764  16.979  -0.766
  224    H1*    C  21           H1*        C  21  -8.702  17.992  -0.465
  225   1H4     C  21          1H4         C  21  -4.097  14.411   2.615
  226   2H4     C  21          2H4         C  21  -3.536  14.604   0.971
  227    H5     C  21           H5         C  21  -6.273  15.145   3.359
  228    H6     C  21           H6         C  21  -8.323  16.284   2.707
  229   1H5*    G  22          1H5*        G  22 -12.028  15.154  -1.512
  230   2H5*    G  22          2H5*        G  22 -13.178  13.853  -1.875
  231    H4*    G  22           H4*        G  22 -11.625  13.734  -3.590
  232    H3*    G  22           H3*        G  22 -10.867  11.677  -1.513
  233    H2*    G  22           H2*        G  22  -9.122  10.990  -3.026
  234   2HO*    G  22          2HO*        G  22  -9.468  11.199  -5.102
  235    H1*    G  22           H1*        G  22  -8.378  13.635  -3.679
  236    H8     G  22           H8         G  22  -9.167  13.057   0.007
  237    H1     G  22           H1         G  22  -3.149  11.684  -1.714
  238   1H2     G  22          1H2         G  22  -4.299  12.120  -4.941
  239   2H2     G  22          2H2         G  22  -2.947  11.741  -3.898
  240   1H5*    C  23          1H5*        C  23 -10.944  10.320  -5.216
  241   2H5*    C  23          2H5*        C  23 -11.679   8.736  -5.529
  242    H4*    C  23           H4*        C  23  -9.552   8.776  -6.577
  243    H3*    C  23           H3*        C  23  -9.578   7.059  -4.100
  244    H2*    C  23           H2*        C  23  -7.292   6.488  -4.570
  245   2HO*    C  23          2HO*        C  23  -7.404   6.173  -6.784
  246    H1*    C  23           H1*        C  23  -6.563   9.106  -5.400
  247   1H4     C  23          1H4         C  23  -5.937   9.064   1.155
  248   2H4     C  23          2H4         C  23  -4.382   8.565   0.530
  249    H5     C  23           H5         C  23  -7.879   9.387  -0.255
  250    H6     C  23           H6         C  23  -8.714   9.303  -2.543
  251   1H5*    A  24          1H5*        A  24  -9.332   4.015  -7.450
  252   2H5*    A  24          2H5*        A  24  -9.273   2.393  -6.734
  253    H4*    A  24           H4*        A  24  -7.121   3.581  -7.667
  254    H3*    A  24           H3*        A  24  -7.330   1.740  -5.313
  255    H2*    A  24           H2*        A  24  -5.014   2.138  -4.782
  256   2HO*    A  24          2HO*        A  24  -4.327   2.186  -7.020
  257    H1*    A  24           H1*        A  24  -5.116   4.895  -5.076
  258    H8     A  24           H8         A  24  -8.458   4.190  -3.714
  259   1H6     A  24          1H6         A  24  -7.376   3.821   1.010
  260   2H6     A  24          2H6         A  24  -5.865   3.662   1.883
  261    H2     A  24           H2         A  24  -2.590   3.658  -1.171
  262   1H5*    C  25          1H5*        C  25  -4.741  -2.131  -6.930
  263   2H5*    C  25          2H5*        C  25  -4.140  -2.082  -5.263
  264    H4*    C  25           H4*        C  25  -3.375  -0.439  -7.625
  265    H3*    C  25           H3*        C  25  -1.994  -2.421  -6.534
  266    H2*    C  25           H2*        C  25  -1.708  -1.727  -4.295
  267   2HO*    C  25          2HO*        C  25   0.296  -0.960  -5.873
  268    H1*    C  25           H1*        C  25  -1.485   1.219  -4.810
  269   1H4     C  25          1H4         C  25  -5.377  -0.009   0.386
  270   2H4     C  25          2H4         C  25  -3.902   0.688   1.025
  271    H5     C  25           H5         C  25  -5.656  -0.543  -1.969
  272    H6     C  25           H6         C  25  -4.629  -0.432  -4.158
  273   1H5*    G  26          1H5*        G  26   1.170  -2.951  -9.905
  274   2H5*    G  26          2H5*        G  26   0.919  -4.540  -9.158
  275    H4*    G  26           H4*        G  26   2.587  -2.448  -8.296
  276    H3*    G  26           H3*        G  26   1.945  -5.169  -7.217
  277    H2*    G  26           H2*        G  26   2.862  -4.549  -5.078
  278   2HO*    G  26          2HO*        G  26   4.513  -3.167  -6.373
  279    H1*    G  26           H1*        G  26   1.655  -2.069  -4.920
  280    H8     G  26           H8         G  26   0.550  -3.183  -2.865
  281    H1     G  26           H1         G  26  -2.973  -6.914  -6.701
  282   1H2     G  26          1H2         G  26  -0.864  -5.789  -9.206
  283   2H2     G  26          2H2         G  26  -2.228  -6.797  -8.773
  284   1H5*    U  27          1H5*        U  27   6.611  -5.530  -8.837
  285   2H5*    U  27          2H5*        U  27   7.268  -7.023  -8.141
  286    H4*    U  27           H4*        U  27   8.158  -4.851  -7.211
  287    H3*    U  27           H3*        U  27   7.143  -7.025  -5.401
  288    H2*    U  27           H2*        U  27   7.457  -5.577  -3.494
  289   2HO*    U  27          2HO*        U  27   8.253  -3.329  -4.078
  290    H1*    U  27           H1*        U  27   6.208  -3.387  -4.583
  291    H3     U  27           H3         U  27   3.373  -5.443  -1.701
  292    H5     U  27           H5         U  27   2.874  -7.496  -5.339
  293    H6     U  27           H6         U  27   4.740  -6.244  -6.186
  294   1H5*    A  28          1H5*        A  28   9.627  -5.177  -3.311
  295   2H5*    A  28          2H5*        A  28  10.690  -6.148  -2.277
  296    H4*    A  28           H4*        A  28   9.302  -4.682  -0.945
  297    H3*    A  28           H3*        A  28   8.712  -7.618  -0.613
  298    H2*    A  28           H2*        A  28   7.113  -7.004   1.085
  299   2HO*    A  28          2HO*        A  28   7.024  -4.920   1.910
  300    H1*    A  28           H1*        A  28   6.020  -4.857  -0.395
  301    H8     A  28           H8         A  28   6.510  -7.357  -2.981
  302   1H6     A  28          1H6         A  28   2.523 -10.048  -2.363
  303   2H6     A  28          2H6         A  28   1.319 -10.131  -1.094
  304    H2     A  28           H2         A  28   2.597  -7.347   2.136
  305   1H5*    C  29          1H5*        C  29   9.721  -6.343   3.351
  306   2H5*    C  29          2H5*        C  29  10.751  -7.571   4.115
  307    H4*    C  29           H4*        C  29   8.830  -7.118   5.494
  308    H3*    C  29           H3*        C  29   8.976  -9.861   4.290
  309    H2*    C  29           H2*        C  29   6.861 -10.420   5.265
  310   2HO*    C  29          2HO*        C  29   6.353  -9.572   7.135
  311    H1*    C  29           H1*        C  29   5.623  -7.939   4.778
  312   1H4     C  29          1H4         C  29   5.097 -11.276  -0.877
  313   2H4     C  29          2H4         C  29   3.645 -11.628   0.027
  314    H5     C  29           H5         C  29   6.945 -10.007   0.052
  315    H6     C  29           H6         C  29   7.750  -8.809   2.018
  316   1H5*    G  30          1H5*        G  30   7.756  -9.815   8.043
  317   2H5*    G  30          2H5*        G  30   8.525 -10.905   9.214
  318    H4*    G  30           H4*        G  30   6.115 -11.002   9.402
  319    H3*    G  30           H3*        G  30   7.432 -13.524   8.410
  320    H2*    G  30           H2*        G  30   5.280 -14.549   8.277
  321   2HO*    G  30          2HO*        G  30   3.958 -14.101   9.867
  322    H1*    G  30           H1*        G  30   3.896 -12.169   7.477
  323    H8     G  30           H8         G  30   6.982 -12.907   5.416
  324    H1     G  30           H1         G  30   1.757 -16.090   3.532
  325   1H2     G  30          1H2         G  30   0.392 -15.009   6.539
  326   2H2     G  30          2H2         G  30   0.171 -15.935   5.072
  327   1H5*    G  31          1H5*        G  31   4.733 -14.120  11.632
  328   2H5*    G  31          2H5*        G  31   5.354 -15.261  12.840
  329    H4*    G  31           H4*        G  31   3.083 -15.808  12.278
  330    H3*    G  31           H3*        G  31   5.117 -17.830  11.355
  331    H2*    G  31           H2*        G  31   3.287 -19.169  10.530
  332   2HO*    G  31          2HO*        G  31   1.963 -17.815  12.443
  333    H1*    G  31           H1*        G  31   1.905 -17.011   9.383
  334    H8     G  31           H8         G  31   5.617 -16.615   8.905
  335    H1     G  31           H1         G  31   2.787 -20.362   4.536
  336   1H2     G  31          1H2         G  31   0.044 -20.212   6.636
  337   2H2     G  31          2H2         G  31   0.732 -20.833   5.152
  338   1H5*    U  32          1H5*        U  32   1.968 -19.674  12.789
  339   2H5*    U  32          2H5*        U  32   2.312 -20.955  13.968
  340    H4*    U  32           H4*        U  32   0.872 -21.836  12.293
  341    H3*    U  32           H3*        U  32   3.683 -22.901  12.069
  342    H2*    U  32           H2*        U  32   2.947 -24.256  10.243
  343   2HO*    U  32          2HO*        U  32   1.041 -25.142  10.671
  344    H1*    U  32           H1*        U  32   1.125 -22.298   9.205
  345    H3     U  32           H3         U  32   4.099 -23.110   5.862
  346    H5     U  32           H5         U  32   6.099 -20.541   8.498
  347    H6     U  32           H6         U  32   4.263 -20.796  10.029
  348   1H5*    U  33          1H5*        U  33   0.476 -25.897  12.706
  349   2H5*    U  33          2H5*        U  33   1.061 -27.254  13.687
  350    H4*    U  33           H4*        U  33  -0.186 -28.056  11.788
  351    H3*    U  33           H3*        U  33   2.740 -28.730  11.803
  352    H2*    U  33           H2*        U  33   2.458 -29.860   9.688
  353   2HO*    U  33          2HO*        U  33   0.029 -30.249  10.582
  354    H1*    U  33           H1*        U  33   0.949 -27.851   8.501
  355    H3     U  33           H3         U  33   5.140 -27.604   6.718
  356    H5     U  33           H5         U  33   5.310 -25.377  10.266
  357    H6     U  33           H6         U  33   3.109 -26.191  10.794
  358   1H5*    C  34          1H5*        C  34   0.773 -32.082  10.348
  359   2H5*    C  34          2H5*        C  34   1.196 -33.451  11.393
  360    H4*    C  34           H4*        C  34   1.444 -34.098   9.106
  361    H3*    C  34           H3*        C  34   3.993 -33.891  10.668
  362    H2*    C  34           H2*        C  34   5.262 -34.443   8.704
  363   2HO*    C  34          2HO*        C  34   3.141 -35.824   8.112
  364    H1*    C  34           H1*        C  34   3.831 -32.814   6.941
  365   1H4     C  34          1H4         C  34   7.749 -28.657  10.231
  366   2H4     C  34          2H4         C  34   8.696 -29.219   8.874
  367    H5     C  34           H5         C  34   5.555 -29.545  10.758
  368    H6     C  34           H6         C  34   3.853 -31.163  10.103
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  12.683 -33.563   0.396
    2   2H5*    G   1          2H5*        G   1  11.950 -32.717  -0.979
    3    H4*    G   1           H4*        G   1  10.547 -34.498  -0.736
    4    H3*    G   1           H3*        G   1   9.382 -32.138   0.662
    5    H2*    G   1           H2*        G   1   7.631 -33.469   1.637
    6   2HO*    G   1          2HO*        G   1   6.958 -35.064   0.394
    7    H1*    G   1           H1*        G   1   9.232 -35.523   2.517
    8    H8     G   1           H8         G   1  11.689 -32.883   2.860
    9    H1     G   1           H1         G   1   6.988 -32.292   7.180
   10   1H2     G   1          1H2         G   1   5.294 -34.546   5.177
   11   2H2     G   1          2H2         G   1   5.273 -33.549   6.614
   12    H5T    G   1           H5T        G   1  12.539 -31.514   1.086
   13   1H5*    A   2          1H5*        A   2   5.852 -33.499  -0.648
   14   2H5*    A   2          2H5*        A   2   5.185 -32.300  -1.774
   15    H4*    A   2           H4*        A   2   3.529 -32.760  -0.146
   16    H3*    A   2           H3*        A   2   4.783 -30.052   0.158
   17    H2*    A   2           H2*        A   2   3.449 -29.643   2.106
   18   2HO*    A   2          2HO*        A   2   1.479 -30.426   2.009
   19    H1*    A   2           H1*        A   2   3.721 -32.209   3.212
   20    H8     A   2           H8         A   2   7.121 -31.616   2.060
   21   1H6     A   2          1H6         A   2   8.764 -28.770   5.639
   22   2H6     A   2          2H6         A   2   7.974 -27.866   6.914
   23    H2     A   2           H2         A   2   3.576 -28.603   6.482
   24   1H5*    G   3          1H5*        G   3   0.542 -30.026   0.428
   25   2H5*    G   3          2H5*        G   3  -0.184 -28.720  -0.528
   26    H4*    G   3           H4*        G   3  -1.185 -28.824   1.665
   27    H3*    G   3           H3*        G   3   0.455 -26.350   1.144
   28    H2*    G   3           H2*        G   3  -0.176 -25.567   3.332
   29   2HO*    G   3          2HO*        G   3  -1.944 -26.279   4.312
   30    H1*    G   3           H1*        G   3   0.186 -28.058   4.594
   31    H8     G   3           H8         G   3   3.010 -27.754   2.237
   32    H1     G   3           H1         G   3   3.691 -24.072   7.447
   33   1H2     G   3          1H2         G   3   0.361 -24.746   7.994
   34   2H2     G   3          2H2         G   3   1.809 -23.920   8.526
   35   1H5*    C   4          1H5*        C   4  -2.908 -25.479   2.954
   36   2H5*    C   4          2H5*        C   4  -3.837 -24.093   2.350
   37    H4*    C   4           H4*        C   4  -3.466 -23.899   4.727
   38    H3*    C   4           H3*        C   4  -2.109 -21.837   3.014
   39    H2*    C   4           H2*        C   4  -1.152 -20.852   4.977
   40   2HO*    C   4          2HO*        C   4  -3.123 -21.033   6.223
   41    H1*    C   4           H1*        C   4  -0.604 -23.294   6.300
   42   1H4     C   4          1H4         C   4   4.515 -22.236   2.289
   43   2H4     C   4          2H4         C   4   4.967 -21.564   3.837
   44    H5     C   4           H5         C   4   2.298 -23.112   1.832
   45    H6     C   4           H6         C   4   0.082 -23.510   2.768
   46   1H5*    C   5          1H5*        C   5  -4.415 -19.658   6.030
   47   2H5*    C   5          2H5*        C   5  -5.399 -18.465   5.162
   48    H4*    C   5           H4*        C   5  -4.301 -17.462   7.067
   49    H3*    C   5           H3*        C   5  -3.498 -16.445   4.365
   50    H2*    C   5           H2*        C   5  -1.855 -15.006   5.365
   51   2HO*    C   5          2HO*        C   5  -2.190 -14.251   7.319
   52    H1*    C   5           H1*        C   5  -0.870 -16.871   7.190
   53   1H4     C   5          1H4         C   5   1.899 -18.688   1.512
   54   2H4     C   5          2H4         C   5   2.855 -17.329   2.057
   55    H5     C   5           H5         C   5  -0.150 -19.378   2.613
   56    H6     C   5           H6         C   5  -1.689 -18.889   4.443
   57   1H5*    G   6          1H5*        G   6  -4.026 -13.666   7.264
   58   2H5*    G   6          2H5*        G   6  -5.001 -12.229   6.902
   59    H4*    G   6           H4*        G   6  -2.960 -11.654   8.091
   60    H3*    G   6           H3*        G   6  -3.144 -10.586   5.278
   61    H2*    G   6           H2*        G   6  -1.022  -9.494   5.657
   62   2HO*    G   6          2HO*        G   6  -0.340  -9.060   7.632
   63    H1*    G   6           H1*        G   6   0.177 -11.732   6.821
   64    H8     G   6           H8         G   6  -2.092 -12.899   4.068
   65    H1     G   6           H1         G   6   3.554 -10.656   2.026
   66   1H2     G   6          1H2         G   6   3.880  -9.468   5.273
   67   2H2     G   6          2H2         G   6   4.586  -9.603   3.679
   68   1H5*    U   7          1H5*        U   7  -1.789  -8.026   7.914
   69   2H5*    U   7          2H5*        U   7  -2.367  -6.350   7.885
   70    H4*    U   7           H4*        U   7   0.047  -6.430   7.963
   71    H3*    U   7           H3*        U   7  -1.134  -5.278   5.454
   72    H2*    U   7           H2*        U   7   1.091  -4.947   4.593
   73   2HO*    U   7          2HO*        U   7   2.672  -4.596   5.964
   74    H1*    U   7           H1*        U   7   2.069  -7.444   5.385
   75    H3     U   7           H3         U   7   1.541  -7.454   0.815
   76    H5     U   7           H5         U   7  -2.125  -8.634   2.398
   77    H6     U   7           H6         U   7  -1.370  -7.908   4.555
   78   1H5*    A   8          1H5*        A   8   1.980  -3.390   7.036
   79   2H5*    A   8          2H5*        A   8   1.896  -1.637   7.289
   80    H4*    A   8           H4*        A   8   4.035  -2.281   6.360
   81    H3*    A   8           H3*        A   8   2.325  -0.640   4.486
   82    H2*    A   8           H2*        A   8   4.187  -0.654   2.973
   83   2HO*    A   8          2HO*        A   8   5.567  -0.611   5.196
   84    H1*    A   8           H1*        A   8   4.965  -3.343   3.633
   85    H8     A   8           H8         A   8   1.408  -3.639   2.797
   86   1H6     A   8          1H6         A   8   1.709  -3.654  -2.014
   87   2H6     A   8          2H6         A   8   2.962  -3.241  -3.175
   88    H2     A   8           H2         A   8   6.521  -2.010  -0.730
   89   1H5*    U   9          1H5*        U   9   5.832   1.145   4.057
   90   2H5*    U   9          2H5*        U   9   5.638   2.888   4.328
   91    H4*    U   9           H4*        U   9   6.676   2.455   2.187
   92    H3*    U   9           H3*        U   9   3.932   3.687   2.084
   93    H2*    U   9           H2*        U   9   4.051   3.671  -0.304
   94   2HO*    U   9          2HO*        U   9   6.638   4.050   0.231
   95    H1*    U   9           H1*        U   9   5.537   1.224  -0.491
   96    H3     U   9           H3         U   9   1.597   0.831  -2.816
   97    H5     U   9           H5         U   9   0.769  -0.289   1.145
   98    H6     U   9           H6         U   9   2.926   0.573   1.759
   99   1H5*    G  10          1H5*        G  10   6.239   5.735  -0.355
  100   2H5*    G  10          2H5*        G  10   6.574   7.399   0.157
  101    H4*    G  10           H4*        G  10   6.211   7.253  -2.241
  102    H3*    G  10           H3*        G  10   4.199   8.867  -0.691
  103    H2*    G  10           H2*        G  10   3.051   9.331  -2.757
  104   2HO*    G  10          2HO*        G  10   5.455   9.098  -3.776
  105    H1*    G  10           H1*        G  10   3.195   6.715  -3.738
  106    H8     G  10           H8         G  10   2.587   6.353  -0.098
  107    H1     G  10           H1         G  10  -2.633   8.192  -3.350
  108   1H2     G  10          1H2         G  10  -0.408   8.787  -5.938
  109   2H2     G  10          2H2         G  10  -2.067   8.826  -5.387
  110   1H5*    C  11          1H5*        C  11   5.958  10.977  -4.210
  111   2H5*    C  11          2H5*        C  11   6.408  12.600  -3.654
  112    H4*    C  11           H4*        C  11   5.407  12.711  -5.839
  113    H3*    C  11           H3*        C  11   3.845  13.992  -3.621
  114    H2*    C  11           H2*        C  11   2.115  14.570  -5.202
  115   2HO*    C  11          2HO*        C  11   4.075  14.675  -6.888
  116    H1*    C  11           H1*        C  11   2.022  12.090  -6.442
  117   1H4     C  11          1H4         C  11  -0.991  11.006  -0.683
  118   2H4     C  11          2H4         C  11  -2.205  11.777  -1.675
  119    H5     C  11           H5         C  11   1.322  10.750  -1.387
  120    H6     C  11           H6         C  11   2.928  11.235  -3.158
  121   1H5*    G  12          1H5*        G  12   4.246  16.977  -6.823
  122   2H5*    G  12          2H5*        G  12   4.408  18.586  -6.094
  123    H4*    G  12           H4*        G  12   2.588  18.518  -7.695
  124    H3*    G  12           H3*        G  12   1.785  19.019  -4.840
  125    H2*    G  12           H2*        G  12  -0.523  19.128  -5.571
  126   2HO*    G  12          2HO*        G  12   0.687  19.628  -7.958
  127    H1*    G  12           H1*        G  12  -0.423  16.787  -7.019
  128    H8     G  12           H8         G  12   2.011  16.200  -4.274
  129    H1     G  12           H1         G  12  -4.095  15.885  -2.353
  130   1H2     G  12          1H2         G  12  -4.805  17.273  -5.430
  131   2H2     G  12          2H2         G  12  -5.418  16.666  -3.908
  132   1H5*    A  13          1H5*        A  13  -0.396  21.188  -7.492
  133   2H5*    A  13          2H5*        A  13  -0.079  22.922  -7.300
  134    H4*    A  13           H4*        A  13  -2.363  22.686  -7.823
  135    H3*    A  13           H3*        A  13  -1.828  23.510  -5.011
  136    H2*    A  13           H2*        A  13  -4.148  23.308  -4.416
  137   2HO*    A  13          2HO*        A  13  -4.533  23.999  -6.880
  138    H1*    A  13           H1*        A  13  -4.628  20.886  -5.668
  139    H8     A  13           H8         A  13  -1.118  20.597  -4.612
  140   1H6     A  13          1H6         A  13  -1.708  18.991  -0.100
  141   2H6     A  13          2H6         A  13  -3.097  18.807   0.950
  142    H2     A  13           H2         A  13  -6.623  20.362  -1.315
  143   1H5*    U  14          1H5*        U  14  -4.926  25.742  -5.711
  144   2H5*    U  14          2H5*        U  14  -4.751  27.424  -5.172
  145    H4*    U  14           H4*        U  14  -6.538  26.432  -3.961
  146    H3*    U  14           H3*        U  14  -4.080  26.916  -2.297
  147    H2*    U  14           H2*        U  14  -5.247  26.019  -0.392
  148   2HO*    U  14          2HO*        U  14  -7.325  27.026  -1.532
  149    H1*    U  14           H1*        U  14  -6.382  23.853  -1.771
  150    H3     U  14           H3         U  14  -3.194  22.119   0.992
  151    H5     U  14           H5         U  14  -1.104  23.465  -2.367
  152    H6     U  14           H6         U  14  -3.141  24.447  -3.164
  153   1H5*    G  15          1H5*        G  15  -5.414  30.289   0.367
  154   2H5*    G  15          2H5*        G  15  -3.709  30.764   0.490
  155    H4*    G  15           H4*        G  15  -4.980  29.545   2.455
  156    H3*    G  15           H3*        G  15  -2.087  29.203   1.695
  157    H2*    G  15           H2*        G  15  -1.907  27.611   3.529
  158   2HO*    G  15          2HO*        G  15  -3.877  28.981   4.533
  159    H1*    G  15           H1*        G  15  -4.091  26.152   2.742
  160    H8     G  15           H8         G  15  -3.055  27.213  -0.570
  161    H1     G  15           H1         G  15   1.122  23.104   1.994
  162   1H2     G  15          1H2         G  15  -0.590  23.622   4.931
  163   2H2     G  15          2H2         G  15   0.721  22.819   4.096
  164   1H5*    A  16          1H5*        A  16  -0.274  28.035   2.761
  165   2H5*    A  16          2H5*        A  16  -0.585  28.865   4.298
  166    H4*    A  16           H4*        A  16   2.037  29.129   2.865
  167    H3*    A  16           H3*        A  16   1.289  26.630   3.630
  168    H2*    A  16           H2*        A  16   1.033  26.873   5.952
  169   2HO*    A  16          2HO*        A  16   2.827  26.042   6.740
  170    H1*    A  16           H1*        A  16   3.074  29.068   6.267
  171    H8     A  16           H8         A  16  -0.696  29.687   6.317
  172   1H6     A  16          1H6         A  16  -1.291  29.486  11.152
  173   2H6     A  16          2H6         A  16  -0.202  29.107  12.468
  174    H2     A  16           H2         A  16   3.802  28.251  10.645
  175   1H5*    A  17          1H5*        A  17   4.224  23.462   4.172
  176   2H5*    A  17          2H5*        A  17   2.748  22.547   3.839
  177    H4*    A  17           H4*        A  17   3.735  23.424   6.319
  178    H3*    A  17           H3*        A  17   1.181  22.026   5.541
  179    H2*    A  17           H2*        A  17   0.275  22.578   7.647
  180   2HO*    A  17          2HO*        A  17   2.019  21.522   8.750
  181    H1*    A  17           H1*        A  17   2.196  24.799   8.098
  182    H8     A  17           H8         A  17  -0.569  25.326   5.530
  183   1H6     A  17          1H6         A  17  -3.574  27.810   8.437
  184   2H6     A  17          2H6         A  17  -3.716  27.936  10.178
  185    H2     A  17           H2         A  17  -0.387  25.447  11.900
  186   1H5*    A  18          1H5*        A  18   1.780  17.917   7.776
  187   2H5*    A  18          2H5*        A  18   0.260  17.442   6.994
  188    H4*    A  18           H4*        A  18   0.416  18.046   9.563
  189    H3*    A  18           H3*        A  18  -1.875  18.366   7.686
  190    H2*    A  18           H2*        A  18  -3.087  19.740   9.243
  191   2HO*    A  18          2HO*        A  18  -1.826  18.307  11.009
  192    H1*    A  18           H1*        A  18  -0.996  21.379   9.978
  193    H8     A  18           H8         A  18  -0.466  20.328   6.377
  194   1H6     A  18          1H6         A  18  -2.791  24.001   4.233
  195   2H6     A  18          2H6         A  18  -3.807  25.294   4.832
  196    H2     A  18           H2         A  18  -4.071  24.773   9.285
  197   1H5*    G  19          1H5*        G  19  -4.625  18.384  10.333
  198   2H5*    G  19          2H5*        G  19  -5.292  16.743  10.246
  199    H4*    G  19           H4*        G  19  -7.161  18.021   9.954
  200    H3*    G  19           H3*        G  19  -6.143  17.271   7.237
  201    H2*    G  19           H2*        G  19  -7.889  18.606   6.228
  202   2HO*    G  19          2HO*        G  19  -9.131  18.096   8.504
  203    H1*    G  19           H1*        G  19  -7.433  20.843   7.773
  204    H8     G  19           H8         G  19  -4.041  19.563   7.687
  205    H1     G  19           H1         G  19  -5.806  21.925   2.004
  206   1H2     G  19          1H2         G  19  -8.998  21.958   3.361
  207   2H2     G  19          2H2         G  19  -7.983  22.311   1.979
  208   1H5*    U  20          1H5*        U  20  -9.775  17.339   6.846
  209   2H5*    U  20          2H5*        U  20 -10.606  15.964   6.094
  210    H4*    U  20           H4*        U  20 -11.128  17.935   4.864
  211    H3*    U  20           H3*        U  20  -9.285  16.061   3.396
  212    H2*    U  20           H2*        U  20  -9.383  17.576   1.514
  213   2HO*    U  20          2HO*        U  20 -10.909  19.119   1.352
  214    H1*    U  20           H1*        U  20  -8.955  19.861   3.050
  215    H3     U  20           H3         U  20  -5.127  18.870   0.744
  216    H5     U  20           H5         U  20  -4.904  16.694   4.322
  217    H6     U  20           H6         U  20  -7.189  17.305   4.750
  218   1H5*    C  21          1H5*        C  21 -11.701  17.604   0.836
  219   2H5*    C  21          2H5*        C  21 -12.893  16.413   0.282
  220    H4*    C  21           H4*        C  21 -12.370  17.584  -1.636
  221    H3*    C  21           H3*        C  21 -10.833  15.012  -1.548
  222    H2*    C  21           H2*        C  21  -9.749  15.590  -3.622
  223   2HO*    C  21          2HO*        C  21 -11.959  16.931  -4.048
  224    H1*    C  21           H1*        C  21  -9.120  18.188  -2.881
  225   1H4     C  21          1H4         C  21  -5.026  14.379   0.625
  226   2H4     C  21          2H4         C  21  -4.172  14.745  -0.853
  227    H5     C  21           H5         C  21  -7.312  15.037   1.026
  228    H6     C  21           H6         C  21  -9.228  16.241   0.116
  229   1H5*    G  22          1H5*        G  22 -11.777  15.125  -5.107
  230   2H5*    G  22          2H5*        G  22 -12.577  13.706  -5.809
  231    H4*    G  22           H4*        G  22 -10.638  14.072  -7.081
  232    H3*    G  22           H3*        G  22 -10.182  11.777  -5.171
  233    H2*    G  22           H2*        G  22  -8.034  11.499  -6.231
  234   2HO*    G  22          2HO*        G  22  -9.351  12.587  -8.299
  235    H1*    G  22           H1*        G  22  -7.518  14.287  -6.370
  236    H8     G  22           H8         G  22  -9.009  13.113  -3.077
  237    H1     G  22           H1         G  22  -2.622  12.685  -3.470
  238   1H2     G  22          1H2         G  22  -3.086  13.503  -6.790
  239   2H2     G  22          2H2         G  22  -1.953  13.118  -5.515
  240   1H5*    C  23          1H5*        C  23  -8.949  10.773  -8.727
  241   2H5*    C  23          2H5*        C  23  -9.616   9.268  -9.391
  242    H4*    C  23           H4*        C  23  -7.279   9.219  -9.733
  243    H3*    C  23           H3*        C  23  -8.114   7.374  -7.499
  244    H2*    C  23           H2*        C  23  -5.820   6.710  -7.294
  245   2HO*    C  23          2HO*        C  23  -5.790   7.031  -9.849
  246    H1*    C  23           H1*        C  23  -4.770   9.320  -7.747
  247   1H4     C  23          1H4         C  23  -5.999   8.921  -1.288
  248   2H4     C  23          2H4         C  23  -4.378   8.291  -1.493
  249    H5     C  23           H5         C  23  -7.427   9.506  -3.159
  250    H6     C  23           H6         C  23  -7.578   9.616  -5.591
  251   1H5*    A  24          1H5*        A  24  -7.951   3.370 -10.130
  252   2H5*    A  24          2H5*        A  24  -8.070   2.445  -8.622
  253    H4*    A  24           H4*        A  24  -5.762   3.142 -10.008
  254    H3*    A  24           H3*        A  24  -6.247   1.873  -7.335
  255    H2*    A  24           H2*        A  24  -3.935   2.213  -6.751
  256   2HO*    A  24          2HO*        A  24  -3.168   1.720  -8.922
  257    H1*    A  24           H1*        A  24  -3.789   4.838  -7.649
  258    H8     A  24           H8         A  24  -7.246   4.335  -6.274
  259   1H6     A  24          1H6         A  24  -6.323   5.292  -1.594
  260   2H6     A  24          2H6         A  24  -4.839   5.513  -0.690
  261    H2     A  24           H2         A  24  -1.460   5.042  -3.589
  262   1H5*    C  25          1H5*        C  25  -3.883  -2.252  -7.420
  263   2H5*    C  25          2H5*        C  25  -3.656  -1.692  -5.754
  264    H4*    C  25           H4*        C  25  -2.547  -0.523  -8.286
  265    H3*    C  25           H3*        C  25  -1.337  -2.424  -6.868
  266    H2*    C  25           H2*        C  25  -1.145  -1.440  -4.728
  267   2HO*    C  25          2HO*        C  25   0.837  -0.351  -4.565
  268    H1*    C  25           H1*        C  25  -0.743   1.385  -5.689
  269   1H4     C  25          1H4         C  25  -4.767   1.246  -0.453
  270   2H4     C  25          2H4         C  25  -3.340   2.134   0.036
  271    H5     C  25           H5         C  25  -4.954   0.159  -2.615
  272    H6     C  25           H6         C  25  -3.849  -0.239  -4.730
  273   1H5*    G  26          1H5*        G  26  -0.322  -4.363 -10.352
  274   2H5*    G  26          2H5*        G  26  -1.505  -5.050  -9.222
  275    H4*    G  26           H4*        G  26   1.308  -4.301  -8.813
  276    H3*    G  26           H3*        G  26  -0.561  -6.293  -7.534
  277    H2*    G  26           H2*        G  26   1.034  -6.456  -5.741
  278   2HO*    G  26          2HO*        G  26   2.761  -5.221  -7.587
  279    H1*    G  26           H1*        G  26   1.458  -3.670  -5.656
  280    H8     G  26           H8         G  26   0.796  -3.890  -3.215
  281    H1     G  26           H1         G  26  -5.184  -5.509  -4.868
  282   1H2     G  26          1H2         G  26  -3.913  -5.692  -8.080
  283   2H2     G  26          2H2         G  26  -5.311  -5.854  -7.039
  284   1H5*    U  27          1H5*        U  27   4.118  -4.735 -10.455
  285   2H5*    U  27          2H5*        U  27   4.651  -6.410 -10.214
  286    H4*    U  27           H4*        U  27   6.453  -5.104  -9.538
  287    H3*    U  27           H3*        U  27   4.949  -6.052  -7.106
  288    H2*    U  27           H2*        U  27   6.526  -4.869  -5.739
  289   2HO*    U  27          2HO*        U  27   8.133  -5.461  -7.803
  290    H1*    U  27           H1*        U  27   6.818  -2.657  -7.515
  291    H3     U  27           H3         U  27   5.123  -1.546  -3.306
  292    H5     U  27           H5         U  27   1.915  -1.913  -5.977
  293    H6     U  27           H6         U  27   3.408  -3.001  -7.514
  294   1H5*    A  28          1H5*        A  28   8.460  -5.839  -6.057
  295   2H5*    A  28          2H5*        A  28   9.226  -7.358  -5.560
  296    H4*    A  28           H4*        A  28   9.635  -5.612  -3.939
  297    H3*    A  28           H3*        A  28   8.093  -8.019  -3.101
  298    H2*    A  28           H2*        A  28   7.595  -7.070  -0.946
  299   2HO*    A  28          2HO*        A  28   9.192  -5.866  -0.185
  300    H1*    A  28           H1*        A  28   6.785  -4.601  -1.850
  301    H8     A  28           H8         A  28   5.655  -6.398  -4.753
  302   1H6     A  28          1H6         A  28   1.531  -8.330  -3.074
  303   2H6     A  28          2H6         A  28   0.894  -8.570  -1.461
  304    H2     A  28           H2         A  28   3.913  -6.989   1.405
  305   1H5*    C  29          1H5*        C  29  11.035  -7.688   0.096
  306   2H5*    C  29          2H5*        C  29  11.900  -9.236   0.140
  307    H4*    C  29           H4*        C  29  11.153  -8.609   2.347
  308    H3*    C  29           H3*        C  29   9.968 -11.089   1.170
  309    H2*    C  29           H2*        C  29   8.496 -11.340   3.050
  310   2HO*    C  29          2HO*        C  29   9.337 -10.750   4.912
  311    H1*    C  29           H1*        C  29   7.730  -8.672   3.229
  312   1H4     C  29          1H4         C  29   4.264 -10.744  -1.935
  313   2H4     C  29          2H4         C  29   3.403 -11.374  -0.550
  314    H5     C  29           H5         C  29   6.434  -9.675  -1.761
  315    H6     C  29           H6         C  29   8.186  -8.967  -0.218
  316   1H5*    G  30          1H5*        G  30  11.272 -11.322   5.196
  317   2H5*    G  30          2H5*        G  30  12.159 -12.794   5.632
  318    H4*    G  30           H4*        G  30  10.511 -12.220   7.316
  319    H3*    G  30           H3*        G  30  10.080 -14.813   5.864
  320    H2*    G  30           H2*        G  30   8.051 -15.162   7.104
  321   2HO*    G  30          2HO*        G  30   8.025 -14.440   9.094
  322    H1*    G  30           H1*        G  30   7.112 -12.539   6.879
  323    H8     G  30           H8         G  30   8.697 -13.334   3.606
  324    H1     G  30           H1         G  30   2.939 -16.044   4.364
  325   1H2     G  30          1H2         G  30   3.321 -15.150   7.697
  326   2H2     G  30          2H2         G  30   2.319 -15.914   6.483
  327   1H5*    G  31          1H5*        G  31   9.639 -14.798   9.949
  328   2H5*    G  31          2H5*        G  31  10.432 -16.091  10.868
  329    H4*    G  31           H4*        G  31   8.211 -15.689  11.714
  330    H3*    G  31           H3*        G  31   8.722 -18.366  10.483
  331    H2*    G  31           H2*        G  31   6.411 -18.978  10.755
  332   2HO*    G  31          2HO*        G  31   5.257 -18.111  12.309
  333    H1*    G  31           H1*        G  31   5.331 -16.597   9.844
  334    H8     G  31           H8         G  31   8.504 -17.289   7.949
  335    H1     G  31           H1         G  31   3.366 -20.340   5.638
  336   1H2     G  31          1H2         G  31   1.814 -19.287   8.555
  337   2H2     G  31          2H2         G  31   1.673 -20.162   7.048
  338   1H5*    U  32          1H5*        U  32   6.283 -18.959  13.549
  339   2H5*    U  32          2H5*        U  32   6.667 -20.369  14.556
  340    H4*    U  32           H4*        U  32   4.426 -20.543  13.684
  341    H3*    U  32           H3*        U  32   6.395 -22.572  12.678
  342    H2*    U  32           H2*        U  32   4.706 -23.519  11.269
  343   2HO*    U  32          2HO*        U  32   2.844 -23.608  12.342
  344    H1*    U  32           H1*        U  32   3.543 -21.069  10.489
  345    H3     U  32           H3         U  32   5.389 -22.860   6.753
  346    H5     U  32           H5         U  32   8.568 -20.984   8.754
  347    H6     U  32           H6         U  32   7.100 -20.680  10.636
  348   1H5*    U  33          1H5*        U  33   2.754 -24.303  14.098
  349   2H5*    U  33          2H5*        U  33   2.995 -25.797  15.025
  350    H4*    U  33           H4*        U  33   1.279 -26.095  13.353
  351    H3*    U  33           H3*        U  33   3.769 -27.726  13.012
  352    H2*    U  33           H2*        U  33   2.921 -28.622  10.956
  353   2HO*    U  33          2HO*        U  33   0.825 -28.998  11.014
  354    H1*    U  33           H1*        U  33   1.896 -26.225   9.954
  355    H3     U  33           H3         U  33   5.528 -27.239   7.433
  356    H5     U  33           H5         U  33   7.062 -25.335  10.853
  357    H6     U  33           H6         U  33   4.869 -25.534  11.838
  358   1H5*    C  34          1H5*        C  34   0.308 -30.180  12.174
  359   2H5*    C  34          2H5*        C  34   0.472 -31.635  13.178
  360    H4*    C  34           H4*        C  34  -0.127 -32.290  10.966
  361    H3*    C  34           H3*        C  34   2.673 -33.003  11.772
  362    H2*    C  34           H2*        C  34   3.065 -33.942   9.597
  363   2HO*    C  34          2HO*        C  34   0.549 -34.531   9.729
  364    H1*    C  34           H1*        C  34   1.782 -31.908   8.151
  365   1H4     C  34          1H4         C  34   7.673 -29.361   9.597
  366   2H4     C  34          2H4         C  34   7.885 -30.205   8.080
  367    H5     C  34           H5         C  34   5.619 -29.469  10.885
  368    H6     C  34           H6         C  34   3.376 -30.420  10.977
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  12.717 -25.922   4.047
    2   2H5*    G   1          2H5*        G   1  12.500 -25.007   2.545
    3    H4*    G   1           H4*        G   1  11.843 -27.164   2.014
    4    H3*    G   1           H3*        G   1   9.506 -25.355   2.395
    5    H2*    G   1           H2*        G   1   7.952 -27.183   2.243
    6   2HO*    G   1          2HO*        G   1   9.736 -28.186   0.664
    7    H1*    G   1           H1*        G   1   9.288 -28.919   3.914
    8    H8     G   1           H8         G   1  10.251 -25.835   5.552
    9    H1     G   1           H1         G   1   4.033 -27.094   6.466
   10   1H2     G   1          1H2         G   1   4.440 -29.386   3.879
   11   2H2     G   1          2H2         G   1   3.359 -28.661   5.047
   12    H5T    G   1           H5T        G   1  11.582 -24.301   4.804
   13   1H5*    A   2          1H5*        A   2   8.267 -27.490  -1.172
   14   2H5*    A   2          2H5*        A   2   8.404 -26.257  -2.440
   15    H4*    A   2           H4*        A   2   6.378 -27.228  -2.907
   16    H3*    A   2           H3*        A   2   5.948 -24.708  -1.376
   17    H2*    A   2           H2*        A   2   3.584 -25.146  -1.184
   18   2HO*    A   2          2HO*        A   2   4.013 -26.519  -3.407
   19    H1*    A   2           H1*        A   2   3.824 -27.734  -0.309
   20    H8     A   2           H8         A   2   6.987 -26.313   0.862
   21   1H6     A   2          1H6         A   2   5.582 -24.176   4.968
   22   2H6     A   2          2H6         A   2   4.022 -23.784   5.656
   23    H2     A   2           H2         A   2   0.943 -25.229   2.766
   24   1H5*    G   3          1H5*        G   3   3.171 -24.605  -4.691
   25   2H5*    G   3          2H5*        G   3   3.141 -22.980  -5.403
   26    H4*    G   3           H4*        G   3   0.908 -23.698  -4.865
   27    H3*    G   3           H3*        G   3   1.932 -21.397  -3.220
   28    H2*    G   3           H2*        G   3  -0.228 -21.349  -2.099
   29   2HO*    G   3          2HO*        G   3  -0.997 -22.567  -4.340
   30    H1*    G   3           H1*        G   3  -0.195 -24.025  -1.481
   31    H8     G   3           H8         G   3   3.409 -23.234  -1.659
   32    H1     G   3           H1         G   3   0.637 -20.949   3.653
   33   1H2     G   3          1H2         G   3  -2.325 -21.716   2.082
   34   2H2     G   3          2H2         G   3  -1.531 -21.069   3.500
   35   1H5*    C   4          1H5*        C   4  -1.736 -20.641  -3.987
   36   2H5*    C   4          2H5*        C   4  -2.139 -18.995  -4.513
   37    H4*    C   4           H4*        C   4  -3.416 -19.593  -2.559
   38    H3*    C   4           H3*        C   4  -1.410 -17.389  -2.194
   39    H2*    C   4           H2*        C   4  -2.054 -17.226   0.128
   40   2HO*    C   4          2HO*        C   4  -4.338 -18.214  -0.816
   41    H1*    C   4           H1*        C   4  -1.995 -19.957   0.620
   42   1H4     C   4          1H4         C   4   4.394 -18.474   0.313
   43   2H4     C   4          2H4         C   4   3.887 -17.934   1.893
   44    H5     C   4           H5         C   4   2.825 -19.257  -1.369
   45    H6     C   4           H6         C   4   0.476 -19.723  -1.828
   46   1H5*    C   5          1H5*        C   5  -5.054 -15.701  -0.653
   47   2H5*    C   5          2H5*        C   5  -5.121 -13.981  -1.083
   48    H4*    C   5           H4*        C   5  -5.258 -14.305   1.322
   49    H3*    C   5           H3*        C   5  -2.886 -12.796   0.285
   50    H2*    C   5           H2*        C   5  -1.953 -12.693   2.507
   51   2HO*    C   5          2HO*        C   5  -3.406 -12.514   4.050
   52    H1*    C   5           H1*        C   5  -2.359 -15.344   3.138
   53   1H4     C   5          1H4         C   5   2.610 -15.498  -1.199
   54   2H4     C   5          2H4         C   5   3.341 -15.151   0.349
   55    H5     C   5           H5         C   5   0.197 -15.592  -1.509
   56    H6     C   5           H6         C   5  -1.964 -15.344  -0.401
   57   1H5*    G   6          1H5*        G   6  -4.656 -10.567   3.718
   58   2H5*    G   6          2H5*        G   6  -4.532  -8.827   3.395
   59    H4*    G   6           H4*        G   6  -3.647  -9.395   5.586
   60    H3*    G   6           H3*        G   6  -1.735  -8.221   3.602
   61    H2*    G   6           H2*        G   6   0.102  -8.538   5.139
   62   2HO*    G   6          2HO*        G   6  -0.224  -8.817   7.249
   63    H1*    G   6           H1*        G   6  -0.461 -11.151   5.739
   64    H8     G   6           H8         G   6  -1.798 -10.838   2.312
   65    H1     G   6           H1         G   6   4.587 -11.165   2.423
   66   1H2     G   6          1H2         G   6   4.244 -10.536   5.831
   67   2H2     G   6          2H2         G   6   5.338 -10.838   4.503
   68   1H5*    U   7          1H5*        U   7  -0.350  -6.737   7.175
   69   2H5*    U   7          2H5*        U   7  -0.382  -4.966   7.090
   70    H4*    U   7           H4*        U   7   1.763  -5.708   7.871
   71    H3*    U   7           H3*        U   7   1.688  -4.337   5.226
   72    H2*    U   7           H2*        U   7   4.011  -4.797   4.821
   73   2HO*    U   7          2HO*        U   7   5.380  -5.400   6.430
   74    H1*    U   7           H1*        U   7   3.986  -7.444   5.621
   75    H3     U   7           H3         U   7   3.974  -7.406   1.030
   76    H5     U   7           H5         U   7  -0.037  -7.252   2.195
   77    H6     U   7           H6         U   7   0.708  -6.996   4.468
   78   1H5*    A   8          1H5*        A   8   5.024  -3.683   6.889
   79   2H5*    A   8          2H5*        A   8   5.534  -2.010   7.186
   80    H4*    A   8           H4*        A   8   7.320  -3.265   6.162
   81    H3*    A   8           H3*        A   8   6.133  -1.123   4.402
   82    H2*    A   8           H2*        A   8   7.810  -1.677   2.769
   83   2HO*    A   8          2HO*        A   8   9.241  -2.187   4.873
   84    H1*    A   8           H1*        A   8   7.627  -4.485   3.202
   85    H8     A   8           H8         A   8   4.186  -2.979   2.975
   86   1H6     A   8          1H6         A   8   3.665  -3.107  -1.817
   87   2H6     A   8          2H6         A   8   4.732  -3.484  -3.150
   88    H2     A   8           H2         A   8   8.725  -4.479  -1.306
   89   1H5*    U   9          1H5*        U   9   9.428  -0.225   3.936
   90   2H5*    U   9          2H5*        U   9  10.012   1.442   4.105
   91    H4*    U   9           H4*        U   9  10.323   0.882   1.858
   92    H3*    U   9           H3*        U   9   7.994   2.710   2.273
   93    H2*    U   9           H2*        U   9   7.433   2.593  -0.063
   94   2HO*    U   9          2HO*        U   9  10.023   2.210  -0.313
   95    H1*    U   9           H1*        U   9   7.746  -0.155  -0.326
   96    H3     U   9           H3         U   9   3.259   0.625  -0.291
   97    H5     U   9           H5         U   9   4.381   0.356   3.746
   98    H6     U   9           H6         U   9   6.677   0.359   3.027
   99   1H5*    G  10          1H5*        G  10   9.174   3.950  -0.805
  100   2H5*    G  10          2H5*        G  10   9.699   5.636  -0.975
  101    H4*    G  10           H4*        G  10   8.006   5.081  -2.616
  102    H3*    G  10           H3*        G  10   7.151   7.095  -0.538
  103    H2*    G  10           H2*        G  10   5.083   7.306  -1.759
  104   2HO*    G  10          2HO*        G  10   6.664   6.525  -3.798
  105    H1*    G  10           H1*        G  10   4.826   4.524  -2.226
  106    H8     G  10           H8         G  10   5.974   5.414   1.297
  107    H1     G  10           H1         G  10  -0.373   5.602   0.444
  108   1H2     G  10          1H2         G  10   0.401   5.358  -2.935
  109   2H2     G  10          2H2         G  10  -0.853   5.500  -1.721
  110   1H5*    C  11          1H5*        C  11   6.379   8.264  -4.276
  111   2H5*    C  11          2H5*        C  11   6.836   9.923  -4.709
  112    H4*    C  11           H4*        C  11   4.611   9.499  -5.459
  113    H3*    C  11           H3*        C  11   4.639  11.371  -3.087
  114    H2*    C  11           H2*        C  11   2.273  11.626  -3.470
  115   2HO*    C  11          2HO*        C  11   1.505  11.428  -5.441
  116    H1*    C  11           H1*        C  11   1.898   8.859  -4.063
  117   1H4     C  11          1H4         C  11   1.439   9.622   2.500
  118   2H4     C  11          2H4         C  11  -0.176   9.773   1.867
  119    H5     C  11           H5         C  11   3.387   9.360   1.030
  120    H6     C  11           H6         C  11   4.128   9.284  -1.293
  121   1H5*    G  12          1H5*        G  12   2.660  12.668  -6.331
  122   2H5*    G  12          2H5*        G  12   2.696  14.400  -6.707
  123    H4*    G  12           H4*        G  12   0.426  13.551  -6.672
  124    H3*    G  12           H3*        G  12   1.055  15.543  -4.500
  125    H2*    G  12           H2*        G  12  -1.242  15.363  -3.797
  126   2HO*    G  12          2HO*        G  12  -2.676  15.044  -5.321
  127    H1*    G  12           H1*        G  12  -1.370  12.558  -4.116
  128    H8     G  12           H8         G  12   1.907  13.298  -2.524
  129    H1     G  12           H1         G  12  -3.018  13.652   1.551
  130   1H2     G  12          1H2         G  12  -4.992  13.494  -1.304
  131   2H2     G  12          2H2         G  12  -4.925  13.604   0.439
  132   1H5*    A  13          1H5*        A  13  -2.267  16.075  -6.815
  133   2H5*    A  13          2H5*        A  13  -2.583  17.702  -7.451
  134    H4*    A  13           H4*        A  13  -4.639  16.755  -6.713
  135    H3*    A  13           H3*        A  13  -3.618  19.037  -5.065
  136    H2*    A  13           H2*        A  13  -5.482  18.811  -3.567
  137   2HO*    A  13          2HO*        A  13  -6.646  17.848  -5.764
  138    H1*    A  13           H1*        A  13  -5.421  16.024  -3.413
  139    H8     A  13           H8         A  13  -1.891  17.267  -3.586
  140   1H6     A  13          1H6         A  13  -1.047  17.712   1.165
  141   2H6     A  13          2H6         A  13  -2.074  17.742   2.580
  142    H2     A  13           H2         A  13  -6.266  17.161   1.115
  143   1H5*    U  14          1H5*        U  14  -7.180  19.536  -5.509
  144   2H5*    U  14          2H5*        U  14  -7.964  21.031  -6.056
  145    H4*    U  14           H4*        U  14  -8.903  20.589  -3.971
  146    H3*    U  14           H3*        U  14  -6.789  22.711  -3.779
  147    H2*    U  14           H2*        U  14  -7.185  22.866  -1.413
  148   2HO*    U  14          2HO*        U  14  -9.594  22.192  -2.094
  149    H1*    U  14           H1*        U  14  -7.319  20.096  -0.991
  150    H3     U  14           H3         U  14  -3.425  21.513   0.879
  151    H5     U  14           H5         U  14  -2.554  20.952  -3.179
  152    H6     U  14           H6         U  14  -4.906  20.648  -3.570
  153   1H5*    G  15          1H5*        G  15  -9.050  26.607  -3.738
  154   2H5*    G  15          2H5*        G  15  -7.519  27.307  -4.290
  155    H4*    G  15           H4*        G  15  -8.400  27.339  -1.741
  156    H3*    G  15           H3*        G  15  -5.608  27.545  -2.829
  157    H2*    G  15           H2*        G  15  -4.783  27.508  -0.540
  158   2HO*    G  15          2HO*        G  15  -7.136  28.492  -0.005
  159    H1*    G  15           H1*        G  15  -6.181  25.273   0.170
  160    H8     G  15           H8         G  15  -5.813  24.106  -3.214
  161    H1     G  15           H1         G  15  -0.145  24.375  -0.371
  162   1H2     G  15          1H2         G  15  -1.821  25.720   2.319
  163   2H2     G  15          2H2         G  15  -0.327  25.143   1.626
  164   1H5*    A  16          1H5*        A  16  -3.549  27.898  -1.782
  165   2H5*    A  16          2H5*        A  16  -4.044  29.374  -0.933
  166    H4*    A  16           H4*        A  16  -1.856  29.522  -2.950
  167    H3*    A  16           H3*        A  16  -1.502  27.630  -1.027
  168    H2*    A  16           H2*        A  16  -1.442  28.846   0.958
  169   2HO*    A  16          2HO*        A  16   0.594  29.323   1.389
  170    H1*    A  16           H1*        A  16  -0.584  31.476  -0.168
  171    H8     A  16           H8         A  16  -4.253  31.106   0.302
  172   1H6     A  16          1H6         A  16  -4.534  32.444   4.982
  173   2H6     A  16          2H6         A  16  -3.335  32.676   6.236
  174    H2     A  16           H2         A  16   0.653  31.739   4.368
  175   1H5*    A  17          1H5*        A  17   2.594  27.368   0.660
  176   2H5*    A  17          2H5*        A  17   2.115  25.731   1.123
  177    H4*    A  17           H4*        A  17   2.064  27.903   2.749
  178    H3*    A  17           H3*        A  17   0.488  25.347   2.975
  179    H2*    A  17           H2*        A  17  -0.780  26.331   4.705
  180   2HO*    A  17          2HO*        A  17   1.040  26.794   5.991
  181    H1*    A  17           H1*        A  17  -0.159  29.097   3.867
  182    H8     A  17           H8         A  17  -2.357  27.342   1.450
  183   1H6     A  17          1H6         A  17  -6.680  28.561   3.262
  184   2H6     A  17          2H6         A  17  -7.189  29.264   4.785
  185    H2     A  17           H2         A  17  -3.502  29.876   7.230
  186   1H5*    A  18          1H5*        A  18   2.993  24.054   6.673
  187   2H5*    A  18          2H5*        A  18   2.196  22.477   6.842
  188    H4*    A  18           H4*        A  18   1.583  24.419   8.440
  189    H3*    A  18           H3*        A  18  -0.295  22.440   7.222
  190    H2*    A  18           H2*        A  18  -2.191  23.616   8.122
  191   2HO*    A  18          2HO*        A  18  -2.004  24.856   9.857
  192    H1*    A  18           H1*        A  18  -1.339  26.164   7.440
  193    H8     A  18           H8         A  18  -0.200  23.777   4.746
  194   1H6     A  18          1H6         A  18  -4.083  24.099   1.847
  195   2H6     A  18          2H6         A  18  -5.663  24.821   2.040
  196    H2     A  18           H2         A  18  -5.751  26.699   6.112
  197   1H5*    G  19          1H5*        G  19  -1.761  22.653  10.695
  198   2H5*    G  19          2H5*        G  19  -2.245  21.138  11.481
  199    H4*    G  19           H4*        G  19  -4.212  22.376  11.168
  200    H3*    G  19           H3*        G  19  -3.967  20.123   9.201
  201    H2*    G  19           H2*        G  19  -6.067  20.785   8.215
  202   2HO*    G  19          2HO*        G  19  -7.471  21.954   9.322
  203    H1*    G  19           H1*        G  19  -5.383  23.437   7.954
  204    H8     G  19           H8         G  19  -2.105  21.748   7.701
  205    H1     G  19           H1         G  19  -5.660  21.067   2.426
  206   1H2     G  19          1H2         G  19  -8.250  22.250   4.380
  207   2H2     G  19          2H2         G  19  -7.729  21.665   2.814
  208   1H5*    U  20          1H5*        U  20  -7.385  19.998   9.724
  209   2H5*    U  20          2H5*        U  20  -8.172  18.515  10.294
  210    H4*    U  20           H4*        U  20  -9.225  19.043   8.278
  211    H3*    U  20           H3*        U  20  -7.217  16.834   7.882
  212    H2*    U  20           H2*        U  20  -7.932  16.720   5.576
  213   2HO*    U  20          2HO*        U  20  -9.808  17.582   4.919
  214    H1*    U  20           H1*        U  20  -7.879  19.490   5.192
  215    H3     U  20           H3         U  20  -4.297  17.735   2.983
  216    H5     U  20           H5         U  20  -3.043  18.133   6.961
  217    H6     U  20           H6         U  20  -5.313  18.682   7.545
  218   1H5*    C  21          1H5*        C  21 -10.295  16.203   5.862
  219   2H5*    C  21          2H5*        C  21 -11.242  14.745   6.220
  220    H4*    C  21           H4*        C  21 -11.137  14.787   3.905
  221    H3*    C  21           H3*        C  21  -8.983  12.927   4.911
  222    H2*    C  21           H2*        C  21  -8.546  12.401   2.588
  223   2HO*    C  21          2HO*        C  21 -11.083  13.139   2.314
  224    H1*    C  21           H1*        C  21  -8.545  15.093   1.800
  225   1H4     C  21          1H4         C  21  -2.819  13.969   4.919
  226   2H4     C  21          2H4         C  21  -2.434  13.891   3.223
  227    H5     C  21           H5         C  21  -5.045  14.248   5.784
  228    H6     C  21           H6         C  21  -7.388  14.577   5.201
  229   1H5*    G  22          1H5*        G  22 -10.698  11.381   2.017
  230   2H5*    G  22          2H5*        G  22 -11.455   9.790   2.217
  231    H4*    G  22           H4*        G  22 -10.236   9.639   0.241
  232    H3*    G  22           H3*        G  22  -8.613   8.369   2.452
  233    H2*    G  22           H2*        G  22  -7.051   7.730   0.736
  234   2HO*    G  22          2HO*        G  22  -9.275   7.803  -0.764
  235    H1*    G  22           H1*        G  22  -7.291  10.206  -0.663
  236    H8     G  22           H8         G  22  -6.905  10.634   3.066
  237    H1     G  22           H1         G  22  -1.376   9.935  -0.106
  238   1H2     G  22          1H2         G  22  -3.379   9.101  -2.793
  239   2H2     G  22          2H2         G  22  -1.755   9.331  -2.181
  240   1H5*    C  23          1H5*        C  23  -8.978   6.121  -0.725
  241   2H5*    C  23          2H5*        C  23  -9.436   4.419  -0.526
  242    H4*    C  23           H4*        C  23  -7.606   4.474  -2.007
  243    H3*    C  23           H3*        C  23  -6.712   3.552   0.726
  244    H2*    C  23           H2*        C  23  -4.539   3.216  -0.224
  245   2HO*    C  23          2HO*        C  23  -5.575   2.265  -2.190
  246    H1*    C  23           H1*        C  23  -4.718   5.499  -1.966
  247   1H4     C  23          1H4         C  23  -1.919   7.650   3.582
  248   2H4     C  23          2H4         C  23  -0.606   6.974   2.649
  249    H5     C  23           H5         C  23  -4.241   7.447   2.918
  250    H6     C  23           H6         C  23  -5.754   6.585   1.217
  251   1H5*    A  24          1H5*        A  24  -6.768  -1.269   0.820
  252   2H5*    A  24          2H5*        A  24  -5.214  -0.770   1.514
  253    H4*    A  24           H4*        A  24  -6.162  -0.650  -1.322
  254    H3*    A  24           H3*        A  24  -3.864  -1.952   0.071
  255    H2*    A  24           H2*        A  24  -2.351  -1.382  -1.666
  256   2HO*    A  24          2HO*        A  24  -4.302  -2.046  -3.156
  257    H1*    A  24           H1*        A  24  -3.594   1.068  -2.462
  258    H8     A  24           H8         A  24  -3.166   1.584   1.078
  259   1H6     A  24          1H6         A  24   1.498   2.930   1.221
  260   2H6     A  24          2H6         A  24   2.817   2.808   0.081
  261    H2     A  24           H2         A  24   1.192   0.737  -3.555
  262   1H5*    C  25          1H5*        C  25  -3.566  -6.236  -2.102
  263   2H5*    C  25          2H5*        C  25  -1.909  -6.077  -1.493
  264    H4*    C  25           H4*        C  25  -3.142  -5.065  -3.951
  265    H3*    C  25           H3*        C  25  -1.044  -6.663  -3.620
  266    H2*    C  25           H2*        C  25   0.519  -5.294  -2.502
  267   2HO*    C  25          2HO*        C  25   0.772  -5.177  -5.153
  268    H1*    C  25           H1*        C  25  -0.246  -2.691  -3.788
  269   1H4     C  25          1H4         C  25   0.726  -1.988   2.712
  270   2H4     C  25          2H4         C  25   2.023  -1.117   1.923
  271    H5     C  25           H5         C  25  -0.912  -3.288   1.490
  272    H6     C  25           H6         C  25  -1.663  -3.969  -0.711
  273   1H5*    G  26          1H5*        G  26  -0.853  -7.106  -8.444
  274   2H5*    G  26          2H5*        G  26  -0.399  -8.808  -8.236
  275    H4*    G  26           H4*        G  26   1.398  -6.917  -8.577
  276    H3*    G  26           H3*        G  26   1.664  -9.370  -6.864
  277    H2*    G  26           H2*        G  26   3.808  -8.571  -6.095
  278   2HO*    G  26          2HO*        G  26   4.522  -7.751  -8.119
  279    H1*    G  26           H1*        G  26   2.997  -5.929  -5.699
  280    H8     G  26           H8         G  26   3.380  -6.123  -3.218
  281    H1     G  26           H1         G  26  -0.802 -10.954  -2.717
  282   1H2     G  26          1H2         G  26  -0.911 -10.799  -6.181
  283   2H2     G  26          2H2         G  26  -1.479 -11.587  -4.725
  284   1H5*    U  27          1H5*        U  27   5.854  -8.101  -9.968
  285   2H5*    U  27          2H5*        U  27   6.333  -9.802  -9.817
  286    H4*    U  27           H4*        U  27   8.227  -8.886  -9.041
  287    H3*    U  27           H3*        U  27   6.463  -9.103  -6.633
  288    H2*    U  27           H2*        U  27   7.970  -7.807  -5.329
  289   2HO*    U  27          2HO*        U  27  10.079  -7.921  -5.643
  290    H1*    U  27           H1*        U  27   8.929  -6.145  -7.452
  291    H3     U  27           H3         U  27   7.069  -3.743  -3.912
  292    H5     U  27           H5         U  27   4.155  -4.182  -6.905
  293    H6     U  27           H6         U  27   5.565  -5.837  -7.933
  294   1H5*    A  28          1H5*        A  28   9.984  -9.612  -5.682
  295   2H5*    A  28          2H5*        A  28  10.607 -11.144  -5.043
  296    H4*    A  28           H4*        A  28  11.516  -9.392  -3.737
  297    H3*    A  28           H3*        A  28   9.509 -11.121  -2.379
  298    H2*    A  28           H2*        A  28   9.482  -9.729  -0.418
  299   2HO*    A  28          2HO*        A  28  11.926  -9.074  -1.326
  300    H1*    A  28           H1*        A  28   9.207  -7.332  -1.726
  301    H8     A  28           H8         A  28   7.468  -9.185  -4.226
  302   1H6     A  28          1H6         A  28   3.139  -9.746  -2.159
  303   2H6     A  28          2H6         A  28   2.558  -9.577  -0.512
  304    H2     A  28           H2         A  28   6.087  -8.623   2.011
  305   1H5*    C  29          1H5*        C  29  12.695 -11.083   0.517
  306   2H5*    C  29          2H5*        C  29  12.939 -12.741   1.099
  307    H4*    C  29           H4*        C  29  12.497 -11.243   2.938
  308    H3*    C  29           H3*        C  29  10.436 -13.358   2.426
  309    H2*    C  29           H2*        C  29   9.085 -12.465   4.223
  310   2HO*    C  29          2HO*        C  29  10.065 -11.466   5.799
  311    H1*    C  29           H1*        C  29   9.229  -9.843   3.395
  312   1H4     C  29          1H4         C  29   5.486 -12.809  -1.166
  313   2H4     C  29          2H4         C  29   4.405 -12.511   0.174
  314    H5     C  29           H5         C  29   7.857 -12.367  -1.058
  315    H6     C  29           H6         C  29   9.678 -11.609   0.374
  316   1H5*    G  30          1H5*        G  30  11.027 -12.886   6.445
  317   2H5*    G  30          2H5*        G  30  10.954 -14.384   7.392
  318    H4*    G  30           H4*        G  30   9.368 -12.739   8.206
  319    H3*    G  30           H3*        G  30   8.216 -15.274   7.090
  320    H2*    G  30           H2*        G  30   5.988 -14.413   7.467
  321   2HO*    G  30          2HO*        G  30   5.704 -13.006   9.027
  322    H1*    G  30           H1*        G  30   6.450 -11.955   6.316
  323    H8     G  30           H8         G  30   8.671 -14.261   4.413
  324    H1     G  30           H1         G  30   2.512 -14.737   2.737
  325   1H2     G  30          1H2         G  30   1.928 -12.892   5.623
  326   2H2     G  30          2H2         G  30   1.238 -13.687   4.228
  327   1H5*    G  31          1H5*        G  31   6.121 -14.187  10.594
  328   2H5*    G  31          2H5*        G  31   5.766 -15.603  11.602
  329    H4*    G  31           H4*        G  31   3.758 -14.328  11.169
  330    H3*    G  31           H3*        G  31   3.855 -17.100  10.024
  331    H2*    G  31           H2*        G  31   1.666 -16.748   9.049
  332   2HO*    G  31          2HO*        G  31   0.485 -14.887   9.500
  333    H1*    G  31           H1*        G  31   2.275 -14.320   7.908
  334    H8     G  31           H8         G  31   5.520 -16.127   7.970
  335    H1     G  31           H1         G  31   1.663 -18.082   3.252
  336   1H2     G  31          1H2         G  31  -0.806 -16.369   4.972
  337   2H2     G  31          2H2         G  31  -0.385 -17.364   3.594
  338   1H5*    U  32          1H5*        U  32   0.141 -16.714  11.222
  339   2H5*    U  32          2H5*        U  32  -0.490 -18.115  12.109
  340    H4*    U  32           H4*        U  32  -1.869 -17.697  10.199
  341    H3*    U  32           H3*        U  32  -0.239 -20.218  10.046
  342    H2*    U  32           H2*        U  32  -1.244 -20.676   7.898
  343   2HO*    U  32          2HO*        U  32  -3.205 -19.180   8.915
  344    H1*    U  32           H1*        U  32  -0.904 -18.097   6.908
  345    H3     U  32           H3         U  32   2.182 -20.814   4.914
  346    H5     U  32           H5         U  32   3.978 -19.471   8.452
  347    H6     U  32           H6         U  32   1.853 -18.538   9.085
  348   1H5*    U  33          1H5*        U  33  -4.159 -21.548   9.048
  349   2H5*    U  33          2H5*        U  33  -4.559 -22.808  10.232
  350    H4*    U  33           H4*        U  33  -5.104 -23.707   8.148
  351    H3*    U  33           H3*        U  33  -2.534 -24.838   9.200
  352    H2*    U  33           H2*        U  33  -2.286 -26.137   7.189
  353   2HO*    U  33          2HO*        U  33  -4.868 -26.140   7.194
  354    H1*    U  33           H1*        U  33  -2.934 -24.078   5.433
  355    H3     U  33           H3         U  33   1.592 -24.559   5.129
  356    H5     U  33           H5         U  33   0.966 -22.080   8.448
  357    H6     U  33           H6         U  33  -1.387 -22.552   8.270
  358   1H5*    C  34          1H5*        C  34  -4.497 -27.994   7.737
  359   2H5*    C  34          2H5*        C  34  -4.379 -29.439   8.760
  360    H4*    C  34           H4*        C  34  -3.509 -29.895   6.562
  361    H3*    C  34           H3*        C  34  -1.529 -29.953   8.811
  362    H2*    C  34           H2*        C  34   0.257 -30.351   7.267
  363   2HO*    C  34          2HO*        C  34  -1.617 -31.641   5.980
  364    H1*    C  34           H1*        C  34  -0.673 -28.623   5.239
  365   1H4     C  34          1H4         C  34   2.625 -24.833   9.511
  366   2H4     C  34          2H4         C  34   3.760 -25.262   8.254
  367    H5     C  34           H5         C  34   0.367 -25.730   9.605
  368    H6     C  34           H6         C  34  -1.223 -27.227   8.520
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  10.496 -27.463   1.676
    2   2H5*    G   1          2H5*        G   1  10.048 -26.755   0.115
    3    H4*    G   1           H4*        G   1   8.699 -28.631   0.323
    4    H3*    G   1           H3*        G   1   7.173 -26.129   0.927
    5    H2*    G   1           H2*        G   1   5.222 -27.432   1.483
    6   2HO*    G   1          2HO*        G   1   6.164 -29.099  -0.244
    7    H1*    G   1           H1*        G   1   6.535 -29.253   3.094
    8    H8     G   1           H8         G   1   8.438 -26.082   3.517
    9    H1     G   1           H1         G   1   3.006 -26.247   6.922
   10   1H2     G   1          1H2         G   1   2.261 -29.040   5.003
   11   2H2     G   1          2H2         G   1   1.757 -27.949   6.274
   12    H5T    G   1           H5T        G   1   8.701 -25.286   1.266
   13   1H5*    A   2          1H5*        A   2   4.418 -27.994  -1.209
   14   2H5*    A   2          2H5*        A   2   4.084 -27.114  -2.713
   15    H4*    A   2           H4*        A   2   1.981 -27.417  -1.868
   16    H3*    A   2           H3*        A   2   2.880 -24.712  -0.886
   17    H2*    A   2           H2*        A   2   0.720 -24.494   0.171
   18   2HO*    A   2          2HO*        A   2   0.064 -26.315  -1.745
   19    H1*    A   2           H1*        A   2   0.702 -27.119   1.180
   20    H8     A   2           H8         A   2   4.183 -25.880   1.584
   21   1H6     A   2          1H6         A   2   3.685 -23.495   5.785
   22   2H6     A   2          2H6         A   2   2.292 -23.001   6.722
   23    H2     A   2           H2         A   2  -1.337 -24.400   4.501
   24   1H5*    G   3          1H5*        G   3  -0.878 -24.923  -2.422
   25   2H5*    G   3          2H5*        G   3  -1.129 -23.858  -3.820
   26    H4*    G   3           H4*        G   3  -3.135 -23.779  -2.654
   27    H3*    G   3           H3*        G   3  -1.483 -21.340  -2.090
   28    H2*    G   3           H2*        G   3  -3.218 -20.539  -0.610
   29   2HO*    G   3          2HO*        G   3  -4.754 -22.065  -2.144
   30    H1*    G   3           H1*        G   3  -3.470 -22.918   0.777
   31    H8     G   3           H8         G   3   0.086 -22.697  -0.383
   32    H1     G   3           H1         G   3  -1.137 -19.275   4.906
   33   1H2     G   3          1H2         G   3  -4.446 -19.907   4.184
   34   2H2     G   3          2H2         G   3  -3.286 -19.142   5.248
   35   1H5*    C   4          1H5*        C   4  -4.653 -19.847  -2.192
   36   2H5*    C   4          2H5*        C   4  -4.951 -18.458  -3.255
   37    H4*    C   4           H4*        C   4  -5.425 -17.759  -1.055
   38    H3*    C   4           H3*        C   4  -2.747 -16.657  -1.917
   39    H2*    C   4           H2*        C   4  -2.776 -15.425   0.160
   40   2HO*    C   4          2HO*        C   4  -5.328 -15.400  -0.182
   41    H1*    C   4           H1*        C   4  -3.729 -17.628   1.661
   42   1H4     C   4          1H4         C   4   2.808 -18.335   1.077
   43   2H4     C   4          2H4         C   4   2.558 -17.385   2.523
   44    H5     C   4           H5         C   4   0.991 -18.949  -0.416
   45    H6     C   4           H6         C   4  -1.414 -18.814  -0.785
   46   1H5*    C   5          1H5*        C   5  -5.652 -13.688  -0.847
   47   2H5*    C   5          2H5*        C   5  -5.534 -12.209  -1.818
   48    H4*    C   5           H4*        C   5  -5.705 -11.672   0.523
   49    H3*    C   5           H3*        C   5  -3.076 -10.980  -0.762
   50    H2*    C   5           H2*        C   5  -2.358 -10.070   1.370
   51   2HO*    C   5          2HO*        C   5  -5.067 -10.027   1.774
   52    H1*    C   5           H1*        C   5  -3.171 -12.269   2.844
   53   1H4     C   5          1H4         C   5   2.083 -14.634  -0.322
   54   2H4     C   5          2H4         C   5   2.743 -13.754   1.035
   55    H5     C   5           H5         C   5  -0.266 -14.603  -0.891
   56    H6     C   5           H6         C   5  -2.445 -13.677  -0.305
   57   1H5*    G   6          1H5*        G   6  -4.458  -8.247   1.649
   58   2H5*    G   6          2H5*        G   6  -4.341  -6.531   1.212
   59    H4*    G   6           H4*        G   6  -3.411  -6.953   3.413
   60    H3*    G   6           H3*        G   6  -1.482  -5.989   1.320
   61    H2*    G   6           H2*        G   6   0.295  -6.137   2.947
   62   2HO*    G   6          2HO*        G   6  -1.827  -5.947   4.652
   63    H1*    G   6           H1*        G   6  -0.410  -8.639   3.908
   64    H8     G   6           H8         G   6  -1.216  -9.053   0.365
   65    H1     G   6           H1         G   6   5.106  -8.743   1.391
   66   1H2     G   6          1H2         G   6   4.203  -7.522   4.516
   67   2H2     G   6          2H2         G   6   5.488  -7.959   3.420
   68   1H5*    U   7          1H5*        U   7  -0.461  -4.148   4.936
   69   2H5*    U   7          2H5*        U   7  -0.678  -2.402   4.712
   70    H4*    U   7           H4*        U   7   1.348  -2.673   5.860
   71    H3*    U   7           H3*        U   7   1.705  -1.887   3.005
   72    H2*    U   7           H2*        U   7   4.097  -2.120   3.169
   73   2HO*    U   7          2HO*        U   7   3.486  -1.997   5.889
   74    H1*    U   7           H1*        U   7   4.105  -4.570   4.427
   75    H3     U   7           H3         U   7   4.867  -5.338  -0.020
   76    H5     U   7           H5         U   7   0.690  -5.344   0.464
   77    H6     U   7           H6         U   7   1.061  -4.537   2.722
   78   1H5*    A   8          1H5*        A   8   4.495  -0.437   5.250
   79   2H5*    A   8          2H5*        A   8   4.590   1.330   5.368
   80    H4*    A   8           H4*        A   8   6.798   0.596   5.160
   81    H3*    A   8           H3*        A   8   5.776   1.690   2.552
   82    H2*    A   8           H2*        A   8   7.913   1.224   1.564
   83   2HO*    A   8          2HO*        A   8   8.703   0.919   4.281
   84    H1*    A   8           H1*        A   8   8.259  -1.273   2.846
   85    H8     A   8           H8         A   8   4.713  -0.949   1.598
   86   1H6     A   8          1H6         A   8   5.378  -2.769  -2.841
   87   2H6     A   8          2H6         A   8   6.803  -3.116  -3.797
   88    H2     A   8           H2         A   8  10.352  -2.068  -1.259
   89   1H5*    U   9          1H5*        U   9   8.923   3.724   2.834
   90   2H5*    U   9          2H5*        U   9   8.848   5.482   2.602
   91    H4*    U   9           H4*        U   9  10.255   4.625   0.916
   92    H3*    U   9           H3*        U   9   7.551   5.391  -0.166
   93    H2*    U   9           H2*        U   9   8.316   4.739  -2.355
   94   2HO*    U   9          2HO*        U   9  10.650   5.464  -1.386
   95    H1*    U   9           H1*        U   9   9.588   2.385  -1.487
   96    H3     U   9           H3         U   9   5.933   1.181  -3.925
   97    H5     U   9           H5         U   9   4.487   1.933  -0.061
   98    H6     U   9           H6         U   9   6.661   2.804   0.501
   99   1H5*    G  10          1H5*        G  10   8.595   6.616  -2.790
  100   2H5*    G  10          2H5*        G  10   8.232   8.294  -3.234
  101    H4*    G  10           H4*        G  10   7.159   6.775  -4.764
  102    H3*    G  10           H3*        G  10   5.301   8.344  -2.993
  103    H2*    G  10           H2*        G  10   3.443   7.295  -4.120
  104   2HO*    G  10          2HO*        G  10   3.673   6.279  -6.035
  105    H1*    G  10           H1*        G  10   4.519   4.723  -4.019
  106    H8     G  10           H8         G  10   5.626   5.951  -0.796
  107    H1     G  10           H1         G  10  -0.727   5.074  -0.924
  108   1H2     G  10          1H2         G  10  -0.322   4.868  -4.353
  109   2H2     G  10          2H2         G  10  -1.424   4.821  -2.996
  110   1H5*    C  11          1H5*        C  11   3.769   8.020  -6.532
  111   2H5*    C  11          2H5*        C  11   3.938   9.539  -7.434
  112    H4*    C  11           H4*        C  11   1.902   8.746  -8.147
  113    H3*    C  11           H3*        C  11   1.478  10.759  -5.968
  114    H2*    C  11           H2*        C  11  -0.896  10.375  -6.068
  115   2HO*    C  11          2HO*        C  11  -1.778   9.708  -7.878
  116    H1*    C  11           H1*        C  11  -0.733   7.603  -6.126
  117   1H4     C  11          1H4         C  11   0.689   9.091   0.130
  118   2H4     C  11          2H4         C  11  -1.057   9.045   0.064
  119    H5     C  11           H5         C  11   2.092   8.904  -1.833
  120    H6     C  11           H6         C  11   2.101   8.645  -4.257
  121   1H5*    G  12          1H5*        G  12  -1.164  11.167  -8.803
  122   2H5*    G  12          2H5*        G  12  -1.451  12.784  -9.477
  123    H4*    G  12           H4*        G  12  -3.558  11.911  -8.915
  124    H3*    G  12           H3*        G  12  -2.638  13.977  -6.932
  125    H2*    G  12           H2*        G  12  -4.714  13.669  -5.737
  126   2HO*    G  12          2HO*        G  12  -5.612  13.033  -8.113
  127    H1*    G  12           H1*        G  12  -4.635  10.882  -5.819
  128    H8     G  12           H8         G  12  -1.123  12.175  -5.463
  129    H1     G  12           H1         G  12  -4.356  11.827   0.067
  130   1H2     G  12          1H2         G  12  -7.117  11.273  -1.947
  131   2H2     G  12          2H2         G  12  -6.487  11.438  -0.325
  132   1H5*    A  13          1H5*        A  13  -6.549  14.883  -7.910
  133   2H5*    A  13          2H5*        A  13  -6.821  16.633  -8.018
  134    H4*    A  13           H4*        A  13  -8.325  15.605  -6.419
  135    H3*    A  13           H3*        A  13  -6.289  17.454  -5.164
  136    H2*    A  13           H2*        A  13  -7.470  17.105  -3.097
  137   2HO*    A  13          2HO*        A  13  -9.523  16.339  -3.043
  138    H1*    A  13           H1*        A  13  -7.911  14.330  -3.601
  139    H8     A  13           H8         A  13  -4.327  14.720  -4.303
  140   1H6     A  13          1H6         A  13  -2.570  14.749   0.161
  141   2H6     A  13          2H6         A  13  -3.270  14.866   1.757
  142    H2     A  13           H2         A  13  -7.705  15.335   1.125
  143   1H5*    U  14          1H5*        U  14  -9.626  18.150  -3.185
  144   2H5*    U  14          2H5*        U  14  -9.991  19.883  -3.258
  145    H4*    U  14           H4*        U  14 -10.048  19.265  -0.988
  146    H3*    U  14           H3*        U  14  -7.490  20.750  -1.597
  147    H2*    U  14           H2*        U  14  -7.052  20.658   0.785
  148   2HO*    U  14          2HO*        U  14  -9.657  20.641   0.952
  149    H1*    U  14           H1*        U  14  -7.783  17.949   0.996
  150    H3     U  14           H3         U  14  -3.223  18.380   1.500
  151    H5     U  14           H5         U  14  -3.905  17.972  -2.607
  152    H6     U  14           H6         U  14  -6.256  18.231  -2.178
  153   1H5*    G  15          1H5*        G  15  -8.909  23.843   0.973
  154   2H5*    G  15          2H5*        G  15  -8.242  25.339   0.291
  155    H4*    G  15           H4*        G  15  -7.314  24.725   2.496
  156    H3*    G  15           H3*        G  15  -5.433  25.029   0.163
  157    H2*    G  15           H2*        G  15  -3.609  24.557   1.662
  158   2HO*    G  15          2HO*        G  15  -5.312  25.573   3.436
  159    H1*    G  15           H1*        G  15  -4.866  22.425   2.937
  160    H8     G  15           H8         G  15  -5.857  21.392  -0.393
  161    H1     G  15           H1         G  15   0.386  20.933   0.315
  162   1H2     G  15          1H2         G  15  -0.192  22.099   3.499
  163   2H2     G  15          2H2         G  15   0.951  21.444   2.349
  164   1H5*    A  16          1H5*        A  16  -3.013  25.839   0.186
  165   2H5*    A  16          2H5*        A  16  -3.533  26.673   1.663
  166    H4*    A  16           H4*        A  16  -1.614  27.818  -0.364
  167    H3*    A  16           H3*        A  16  -0.820  25.758   1.103
  168    H2*    A  16           H2*        A  16  -1.487  26.495   3.283
  169   2HO*    A  16          2HO*        A  16   0.621  26.421   3.806
  170    H1*    A  16           H1*        A  16  -0.577  29.347   2.747
  171    H8     A  16           H8         A  16  -4.195  28.469   2.952
  172   1H6     A  16          1H6         A  16  -4.996  29.820   7.581
  173   2H6     A  16          2H6         A  16  -3.915  30.180   8.915
  174    H2     A  16           H2         A  16   0.255  29.576   7.394
  175   1H5*    A  17          1H5*        A  17   0.526  23.765   2.101
  176   2H5*    A  17          2H5*        A  17   0.546  25.514   2.328
  177    H4*    A  17           H4*        A  17   3.225  24.580   2.408
  178    H3*    A  17           H3*        A  17   1.497  22.609   3.612
  179    H2*    A  17           H2*        A  17   1.796  23.047   5.909
  180   2HO*    A  17          2HO*        A  17   4.275  23.587   5.024
  181    H1*    A  17           H1*        A  17   2.089  25.768   5.948
  182    H8     A  17           H8         A  17  -0.465  23.993   3.492
  183   1H6     A  17          1H6         A  17  -4.427  25.664   5.695
  184   2H6     A  17          2H6         A  17  -4.691  26.574   7.172
  185    H2     A  17           H2         A  17  -0.674  27.294   8.984
  186   1H5*    A  18          1H5*        A  18   4.851  20.845   6.343
  187   2H5*    A  18          2H5*        A  18   3.898  19.364   6.556
  188    H4*    A  18           H4*        A  18   4.172  21.133   8.482
  189    H3*    A  18           H3*        A  18   1.897  19.324   7.907
  190    H2*    A  18           H2*        A  18   0.378  20.512   9.326
  191   2HO*    A  18          2HO*        A  18   2.603  21.021  10.653
  192    H1*    A  18           H1*        A  18   1.077  23.090   8.601
  193    H8     A  18           H8         A  18   1.380  20.688   5.653
  194   1H6     A  18          1H6         A  18  -3.042  21.315   3.807
  195   2H6     A  18          2H6         A  18  -4.459  22.177   4.375
  196    H2     A  18           H2         A  18  -3.335  24.190   8.204
  197   1H5*    G  19          1H5*        G  19   0.955  18.600  11.508
  198   2H5*    G  19          2H5*        G  19   0.717  16.846  11.630
  199    H4*    G  19           H4*        G  19  -1.396  17.996  11.765
  200    H3*    G  19           H3*        G  19  -1.071  16.399   9.221
  201    H2*    G  19           H2*        G  19  -3.400  16.946   8.790
  202   2HO*    G  19          2HO*        G  19  -4.666  17.888  10.306
  203    H1*    G  19           H1*        G  19  -2.984  19.653   9.227
  204    H8     G  19           H8         G  19   0.251  18.502   7.865
  205    H1     G  19           H1         G  19  -4.356  18.761   3.428
  206   1H2     G  19          1H2         G  19  -6.489  19.173   6.103
  207   2H2     G  19          2H2         G  19  -6.313  19.047   4.367
  208   1H5*    U  20          1H5*        U  20  -4.585  15.939  10.430
  209   2H5*    U  20          2H5*        U  20  -5.015  14.278  10.876
  210    H4*    U  20           H4*        U  20  -6.825  15.088   9.639
  211    H3*    U  20           H3*        U  20  -5.121  13.309   7.898
  212    H2*    U  20           H2*        U  20  -6.813  13.596   6.183
  213   2HO*    U  20          2HO*        U  20  -8.346  14.144   8.323
  214    H1*    U  20           H1*        U  20  -6.913  16.367   6.493
  215    H3     U  20           H3         U  20  -4.609  15.528   2.666
  216    H5     U  20           H5         U  20  -1.797  15.067   5.755
  217    H6     U  20           H6         U  20  -3.605  15.275   7.325
  218   1H5*    C  21          1H5*        C  21  -8.806  12.780   7.174
  219   2H5*    C  21          2H5*        C  21  -9.404  11.242   7.827
  220    H4*    C  21           H4*        C  21 -10.563  11.465   5.848
  221    H3*    C  21           H3*        C  21  -8.204   9.656   5.458
  222    H2*    C  21           H2*        C  21  -8.772   9.424   3.130
  223   2HO*    C  21          2HO*        C  21 -10.777   9.706   2.478
  224    H1*    C  21           H1*        C  21  -9.215  12.136   2.689
  225   1H4     C  21          1H4         C  21  -2.655  11.502   3.117
  226   2H4     C  21          2H4         C  21  -3.030  11.498   1.410
  227    H5     C  21           H5         C  21  -4.346  11.503   4.839
  228    H6     C  21           H6         C  21  -6.736  11.581   5.285
  229   1H5*    G  22          1H5*        G  22 -11.021   8.235   3.515
  230   2H5*    G  22          2H5*        G  22 -11.429   6.515   3.665
  231    H4*    G  22           H4*        G  22 -11.060   6.884   1.386
  232    H3*    G  22           H3*        G  22  -8.645   5.564   2.617
  233    H2*    G  22           H2*        G  22  -7.682   5.504   0.406
  234   2HO*    G  22          2HO*        G  22 -10.258   5.464  -0.299
  235    H1*    G  22           H1*        G  22  -8.504   8.122  -0.257
  236    H8     G  22           H8         G  22  -7.260   7.933   3.303
  237    H1     G  22           H1         G  22  -2.648   8.616  -1.103
  238   1H2     G  22          1H2         G  22  -5.174   8.032  -3.382
  239   2H2     G  22          2H2         G  22  -3.482   8.377  -3.110
  240   1H5*    C  23          1H5*        C  23  -9.527   3.883  -0.695
  241   2H5*    C  23          2H5*        C  23  -9.709   2.120  -0.747
  242    H4*    C  23           H4*        C  23  -8.279   2.694  -2.522
  243    H3*    C  23           H3*        C  23  -6.692   1.552  -0.225
  244    H2*    C  23           H2*        C  23  -4.734   1.762  -1.592
  245   2HO*    C  23          2HO*        C  23  -5.574   0.962  -3.536
  246    H1*    C  23           H1*        C  23  -5.552   4.234  -2.781
  247   1H4     C  23          1H4         C  23  -2.257   5.793   2.714
  248   2H4     C  23          2H4         C  23  -1.045   5.710   1.456
  249    H5     C  23           H5         C  23  -4.570   5.170   2.352
  250    H6     C  23           H6         C  23  -6.180   4.345   0.719
  251   1H5*    A  24          1H5*        A  24  -6.539  -1.896  -3.727
  252   2H5*    A  24          2H5*        A  24  -5.842  -3.211  -2.760
  253    H4*    A  24           H4*        A  24  -4.659  -2.504  -4.920
  254    H3*    A  24           H3*        A  24  -3.271  -3.020  -2.311
  255    H2*    A  24           H2*        A  24  -1.174  -2.385  -3.297
  256   2HO*    A  24          2HO*        A  24  -1.268  -3.298  -5.310
  257    H1*    A  24           H1*        A  24  -2.154  -0.150  -4.664
  258    H8     A  24           H8         A  24  -3.896  -0.282  -1.348
  259   1H6     A  24          1H6         A  24  -0.604   2.142   1.290
  260   2H6     A  24          2H6         A  24   1.040   2.651   0.974
  261    H2     A  24           H2         A  24   2.045   1.312  -3.180
  262   1H5*    C  25          1H5*        C  25  -0.598  -6.893  -4.075
  263   2H5*    C  25          2H5*        C  25   0.744  -6.161  -3.177
  264    H4*    C  25           H4*        C  25  -0.321  -5.551  -5.876
  265    H3*    C  25           H3*        C  25   1.983  -6.705  -5.215
  266    H2*    C  25           H2*        C  25   3.084  -5.050  -3.951
  267   2HO*    C  25          2HO*        C  25   3.847  -3.343  -5.716
  268    H1*    C  25           H1*        C  25   2.001  -2.653  -5.400
  269   1H4     C  25          1H4         C  25   1.832  -1.670   1.119
  270   2H4     C  25          2H4         C  25   3.040  -0.576   0.485
  271    H5     C  25           H5         C  25   0.700  -3.310  -0.264
  272    H6     C  25           H6         C  25   0.489  -4.206  -2.502
  273   1H5*    G  26          1H5*        G  26   3.036  -7.798  -9.733
  274   2H5*    G  26          2H5*        G  26   3.940  -8.977  -8.761
  275    H4*    G  26           H4*        G  26   4.246  -6.081  -8.999
  276    H3*    G  26           H3*        G  26   6.066  -8.374  -8.349
  277    H2*    G  26           H2*        G  26   7.518  -6.869  -7.137
  278   2HO*    G  26          2HO*        G  26   6.272  -5.058  -8.748
  279    H1*    G  26           H1*        G  26   5.494  -5.598  -5.736
  280    H8     G  26           H8         G  26   5.971  -6.617  -3.512
  281    H1     G  26           H1         G  26   5.749 -12.578  -5.874
  282   1H2     G  26          1H2         G  26   5.240 -11.018  -8.919
  283   2H2     G  26          2H2         G  26   5.413 -12.527  -8.047
  284   1H5*    U  27          1H5*        U  27  10.382  -7.738  -9.959
  285   2H5*    U  27          2H5*        U  27   9.966  -8.997  -8.781
  286    H4*    U  27           H4*        U  27  11.957  -7.628  -8.194
  287    H3*    U  27           H3*        U  27   9.655  -7.732  -6.247
  288    H2*    U  27           H2*        U  27  10.952  -6.349  -4.774
  289   2HO*    U  27          2HO*        U  27  12.994  -7.536  -6.184
  290    H1*    U  27           H1*        U  27  12.133  -4.795  -6.870
  291    H3     U  27           H3         U  27   9.662  -2.232  -3.868
  292    H5     U  27           H5         U  27   7.163  -3.221  -7.081
  293    H6     U  27           H6         U  27   8.824  -4.807  -7.795
  294   1H5*    A  28          1H5*        A  28  12.967  -7.895  -4.457
  295   2H5*    A  28          2H5*        A  28  13.330  -9.328  -3.478
  296    H4*    A  28           H4*        A  28  13.964  -7.341  -2.293
  297    H3*    A  28           H3*        A  28  11.783  -9.011  -1.151
  298    H2*    A  28           H2*        A  28  11.288  -7.397   0.556
  299   2HO*    A  28          2HO*        A  28  13.834  -6.855   0.324
  300    H1*    A  28           H1*        A  28  11.335  -5.153  -1.048
  301    H8     A  28           H8         A  28  10.031  -7.482  -3.499
  302   1H6     A  28          1H6         A  28   5.333  -7.629  -2.187
  303   2H6     A  28          2H6         A  28   4.498  -7.136  -0.740
  304    H2     A  28           H2         A  28   7.539  -5.530   2.084
  305   1H5*    C  29          1H5*        C  29  13.670  -8.005   2.175
  306   2H5*    C  29          2H5*        C  29  13.959  -9.389   3.248
  307    H4*    C  29           H4*        C  29  12.613  -7.766   4.382
  308    H3*    C  29           H3*        C  29  11.228 -10.337   3.696
  309    H2*    C  29           H2*        C  29   9.188  -9.495   4.644
  310   2HO*    C  29          2HO*        C  29   9.185  -7.919   6.102
  311    H1*    C  29           H1*        C  29   9.383  -6.935   3.533
  312   1H4     C  29          1H4         C  29   7.224 -10.666  -1.440
  313   2H4     C  29          2H4         C  29   5.796 -10.140  -0.585
  314    H5     C  29           H5         C  29   9.473 -10.245  -0.618
  315    H6     C  29           H6         C  29  10.781  -9.223   1.169
  316   1H5*    G  30          1H5*        G  30  10.182  -9.027   7.224
  317   2H5*    G  30          2H5*        G  30  10.152 -10.177   8.575
  318    H4*    G  30           H4*        G  30   8.056  -8.992   8.428
  319    H3*    G  30           H3*        G  30   7.888 -11.930   7.770
  320    H2*    G  30           H2*        G  30   5.530 -11.660   7.470
  321   2HO*    G  30          2HO*        G  30   4.481 -10.267   8.679
  322    H1*    G  30           H1*        G  30   5.726  -9.037   6.329
  323    H8     G  30           H8         G  30   8.059 -11.474   4.645
  324    H1     G  30           H1         G  30   2.019 -11.800   2.536
  325   1H2     G  30          1H2         G  30   1.256  -9.867   5.306
  326   2H2     G  30          2H2         G  30   0.666 -10.703   3.884
  327   1H5*    G  31          1H5*        G  31   5.093 -10.623  10.284
  328   2H5*    G  31          2H5*        G  31   4.863 -11.533  11.789
  329    H4*    G  31           H4*        G  31   2.717 -11.127  10.946
  330    H3*    G  31           H3*        G  31   3.542 -13.972  10.394
  331    H2*    G  31           H2*        G  31   1.346 -14.316   9.448
  332   2HO*    G  31          2HO*        G  31   0.694 -12.406  11.148
  333    H1*    G  31           H1*        G  31   1.344 -11.908   8.004
  334    H8     G  31           H8         G  31   4.777 -13.430   7.954
  335    H1     G  31           H1         G  31   0.799 -15.861   3.551
  336   1H2     G  31          1H2         G  31  -1.667 -14.151   5.291
  337   2H2     G  31          2H2         G  31  -1.270 -15.199   3.947
  338   1H5*    U  32          1H5*        U  32   0.007 -14.065  11.639
  339   2H5*    U  32          2H5*        U  32  -0.357 -15.012  13.094
  340    H4*    U  32           H4*        U  32  -1.972 -15.719  11.622
  341    H3*    U  32           H3*        U  32   0.304 -17.687  11.426
  342    H2*    U  32           H2*        U  32  -1.029 -18.913   9.844
  343   2HO*    U  32          2HO*        U  32  -3.022 -17.795  11.231
  344    H1*    U  32           H1*        U  32  -1.949 -16.611   8.485
  345    H3     U  32           H3         U  32   0.717 -18.846   5.569
  346    H5     U  32           H5         U  32   3.363 -16.750   8.060
  347    H6     U  32           H6         U  32   1.478 -16.152   9.426
  348   1H5*    U  33          1H5*        U  33  -3.607 -19.651  12.450
  349   2H5*    U  33          2H5*        U  33  -3.227 -20.852  13.700
  350    H4*    U  33           H4*        U  33  -4.674 -21.883  12.148
  351    H3*    U  33           H3*        U  33  -1.846 -22.865  11.906
  352    H2*    U  33           H2*        U  33  -2.565 -24.340  10.135
  353   2HO*    U  33          2HO*        U  33  -4.812 -24.338  11.412
  354    H1*    U  33           H1*        U  33  -4.072 -22.416   8.794
  355    H3     U  33           H3         U  33  -0.250 -23.024   6.368
  356    H5     U  33           H5         U  33   0.741 -20.230   9.332
  357    H6     U  33           H6         U  33  -1.392 -20.665  10.353
  358   1H5*    C  34          1H5*        C  34  -4.133 -26.137  11.853
  359   2H5*    C  34          2H5*        C  34  -3.540 -27.464  12.871
  360    H4*    C  34           H4*        C  34  -3.832 -28.233  10.619
  361    H3*    C  34           H3*        C  34  -0.990 -28.097  11.579
  362    H2*    C  34           H2*        C  34  -0.240 -28.877   9.433
  363   2HO*    C  34          2HO*        C  34  -2.566 -30.097   9.459
  364    H1*    C  34           H1*        C  34  -1.992 -27.290   7.916
  365   1H4     C  34          1H4         C  34   2.899 -23.212   9.584
  366   2H4     C  34          2H4         C  34   3.438 -24.019   8.130
  367    H5     C  34           H5         C  34   0.853 -23.827  10.746
  368    H6     C  34           H6         C  34  -1.050 -25.352  10.747
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  11.940 -28.139   5.891
    2   2H5*    G   1          2H5*        G   1  11.984 -27.310   4.325
    3    H4*    G   1           H4*        G   1  10.957 -29.269   3.773
    4    H3*    G   1           H3*        G   1   8.887 -27.180   4.238
    5    H2*    G   1           H2*        G   1   7.102 -28.793   4.116
    6   2HO*    G   1          2HO*        G   1   8.720 -30.045   2.525
    7    H1*    G   1           H1*        G   1   8.208 -30.638   5.807
    8    H8     G   1           H8         G   1   9.749 -27.743   7.325
    9    H1     G   1           H1         G   1   3.431 -27.830   8.419
   10   1H2     G   1          1H2         G   1   3.343 -30.201   5.896
   11   2H2     G   1          2H2         G   1   2.446 -29.266   7.072
   12    H5T    G   1           H5T        G   1  11.169 -26.117   6.271
   13   1H5*    A   2          1H5*        A   2   7.491 -28.957   0.457
   14   2H5*    A   2          2H5*        A   2   7.447 -27.604  -0.690
   15    H4*    A   2           H4*        A   2   5.382 -28.698  -0.886
   16    H3*    A   2           H3*        A   2   5.183 -26.093   0.554
   17    H2*    A   2           H2*        A   2   2.856 -26.487   1.068
   18   2HO*    A   2          2HO*        A   2   3.029 -28.041  -1.094
   19    H1*    A   2           H1*        A   2   3.194 -29.001   2.072
   20    H8     A   2           H8         A   2   6.514 -27.666   2.748
   21   1H6     A   2          1H6         A   2   5.713 -25.171   6.811
   22   2H6     A   2          2H6         A   2   4.268 -24.633   7.631
   23    H2     A   2           H2         A   2   0.797 -26.070   5.188
   24   1H5*    G   3          1H5*        G   3   1.951 -25.981  -2.461
   25   2H5*    G   3          2H5*        G   3   1.961 -24.367  -3.198
   26    H4*    G   3           H4*        G   3  -0.253 -24.939  -2.433
   27    H3*    G   3           H3*        G   3   1.069 -22.633  -1.053
   28    H2*    G   3           H2*        G   3  -0.832 -22.432   0.437
   29   2HO*    G   3          2HO*        G   3  -2.191 -23.343  -1.515
   30    H1*    G   3           H1*        G   3  -0.914 -25.080   1.133
   31    H8     G   3           H8         G   3   2.643 -24.825   0.411
   32    H1     G   3           H1         G   3   1.132 -21.752   5.827
   33   1H2     G   3          1H2         G   3  -2.125 -21.987   4.705
   34   2H2     G   3          2H2         G   3  -1.022 -21.425   5.943
   35   1H5*    C   4          1H5*        C   4  -2.676 -21.342  -1.416
   36   2H5*    C   4          2H5*        C   4  -2.802 -19.671  -1.999
   37    H4*    C   4           H4*        C   4  -3.882 -19.925   0.151
   38    H3*    C   4           H3*        C   4  -1.501 -18.111   0.043
   39    H2*    C   4           H2*        C   4  -1.644 -17.764   2.431
   40   2HO*    C   4          2HO*        C   4  -3.730 -19.522   2.876
   41    H1*    C   4           H1*        C   4  -1.848 -20.417   3.097
   42   1H4     C   4          1H4         C   4   4.332 -19.956   0.909
   43   2H4     C   4          2H4         C   4   4.404 -19.224   2.485
   44    H5     C   4           H5         C   4   2.289 -20.644  -0.147
   45    H6     C   4           H6         C   4  -0.123 -20.827   0.122
   46   1H5*    C   5          1H5*        C   5  -4.543 -15.986   2.115
   47   2H5*    C   5          2H5*        C   5  -4.719 -14.324   1.518
   48    H4*    C   5           H4*        C   5  -4.487 -14.338   3.915
   49    H3*    C   5           H3*        C   5  -2.366 -12.993   2.327
   50    H2*    C   5           H2*        C   5  -0.932 -12.717   4.219
   51   2HO*    C   5          2HO*        C   5  -1.833 -12.361   6.096
   52    H1*    C   5           H1*        C   5  -1.299 -15.211   5.362
   53   1H4     C   5          1H4         C   5   2.669 -16.693   0.374
   54   2H4     C   5          2H4         C   5   3.730 -15.984   1.568
   55    H5     C   5           H5         C   5   0.261 -16.676   0.574
   56    H6     C   5           H6         C   5  -1.617 -15.996   1.974
   57   1H5*    G   6          1H5*        G   6  -3.025 -11.027   5.835
   58   2H5*    G   6          2H5*        G   6  -3.272  -9.274   5.718
   59    H4*    G   6           H4*        G   6  -1.627  -9.795   7.408
   60    H3*    G   6           H3*        G   6  -0.733  -8.220   5.038
   61    H2*    G   6           H2*        G   6   1.566  -8.324   5.724
   62   2HO*    G   6          2HO*        G   6   2.030  -8.476   7.790
   63    H1*    G   6           H1*        G   6   1.617 -11.010   6.358
   64    H8     G   6           H8         G   6  -0.785 -10.955   3.570
   65    H1     G   6           H1         G   6   5.264 -10.188   1.626
   66   1H2     G   6          1H2         G   6   5.909  -9.569   4.989
   67   2H2     G   6          2H2         G   6   6.559  -9.676   3.371
   68   1H5*    U   7          1H5*        U   7   1.495  -6.803   7.928
   69   2H5*    U   7          2H5*        U   7   1.475  -5.034   8.057
   70    H4*    U   7           H4*        U   7   3.736  -5.823   7.826
   71    H3*    U   7           H3*        U   7   2.668  -4.215   5.530
   72    H2*    U   7           H2*        U   7   4.739  -4.511   4.352
   73   2HO*    U   7          2HO*        U   7   6.539  -4.715   5.455
   74    H1*    U   7           H1*        U   7   5.071  -7.219   4.998
   75    H3     U   7           H3         U   7   4.080  -7.105   0.553
   76    H5     U   7           H5         U   7   0.395  -6.752   2.488
   77    H6     U   7           H6         U   7   1.573  -6.597   4.576
   78   1H5*    A   8          1H5*        A   8   6.418  -3.317   6.489
   79   2H5*    A   8          2H5*        A   8   6.836  -1.606   6.705
   80    H4*    A   8           H4*        A   8   8.463  -2.703   5.303
   81    H3*    A   8           H3*        A   8   6.757  -0.671   3.861
   82    H2*    A   8           H2*        A   8   8.110  -1.075   1.918
   83   2HO*    A   8          2HO*        A   8  10.021  -1.329   3.565
   84    H1*    A   8           H1*        A   8   8.289  -3.887   2.360
   85    H8     A   8           H8         A   8   4.760  -2.523   2.732
   86   1H6     A   8          1H6         A   8   3.390  -2.933  -1.926
   87   2H6     A   8          2H6         A   8   4.253  -3.333  -3.394
   88    H2     A   8           H2         A   8   8.487  -4.231  -2.194
   89   1H5*    U   9          1H5*        U   9   9.785   0.941   2.529
   90   2H5*    U   9          2H5*        U   9   9.613   2.706   2.465
   91    H4*    U   9           H4*        U   9   9.539   1.717   0.248
   92    H3*    U   9           H3*        U   9   7.040   3.098   1.195
   93    H2*    U   9           H2*        U   9   6.010   2.580  -0.918
   94   2HO*    U   9          2HO*        U   9   8.521   2.705  -1.757
   95    H1*    U   9           H1*        U   9   7.006  -0.052  -1.066
   96    H3     U   9           H3         U   9   2.529  -0.446  -0.407
   97    H5     U   9           H5         U   9   4.136   0.254   3.409
   98    H6     U   9           H6         U   9   6.249   0.709   2.352
   99   1H5*    G  10          1H5*        G  10   7.312   4.166  -2.422
  100   2H5*    G  10          2H5*        G  10   7.956   5.811  -2.591
  101    H4*    G  10           H4*        G  10   6.282   5.419  -4.262
  102    H3*    G  10           H3*        G  10   5.403   7.371  -2.134
  103    H2*    G  10           H2*        G  10   3.399   7.692  -3.426
  104   2HO*    G  10          2HO*        G  10   5.036   7.095  -5.432
  105    H1*    G  10           H1*        G  10   3.123   4.938  -4.073
  106    H8     G  10           H8         G  10   3.962   5.131  -0.467
  107    H1     G  10           H1         G  10  -2.150   6.627  -1.740
  108   1H2     G  10          1H2         G  10  -1.098   6.722  -5.035
  109   2H2     G  10          2H2         G  10  -2.423   6.891  -3.906
  110   1H5*    C  11          1H5*        C  11   4.756   8.747  -5.991
  111   2H5*    C  11          2H5*        C  11   5.516  10.333  -6.225
  112    H4*    C  11           H4*        C  11   3.432  10.488  -7.259
  113    H3*    C  11           H3*        C  11   3.264  11.808  -4.550
  114    H2*    C  11           H2*        C  11   1.012  12.430  -5.138
  115   2HO*    C  11          2HO*        C  11   0.643  12.848  -7.177
  116    H1*    C  11           H1*        C  11   0.401   9.922  -6.302
  117   1H4     C  11          1H4         C  11  -0.495   9.316   0.227
  118   2H4     C  11          2H4         C  11  -2.026   9.822  -0.432
  119    H5     C  11           H5         C  11   1.517   9.117  -1.153
  120    H6     C  11           H6         C  11   2.429   9.430  -3.395
  121   1H5*    G  12          1H5*        G  12   1.937  14.167  -7.661
  122   2H5*    G  12          2H5*        G  12   2.225  15.910  -7.495
  123    H4*    G  12           H4*        G  12  -0.110  15.433  -7.959
  124    H3*    G  12           H3*        G  12   0.442  16.640  -5.254
  125    H2*    G  12           H2*        G  12  -1.921  16.583  -4.818
  126   2HO*    G  12          2HO*        G  12  -3.272  16.791  -6.440
  127    H1*    G  12           H1*        G  12  -2.330  14.030  -5.937
  128    H8     G  12           H8         G  12   0.810  13.789  -3.977
  129    H1     G  12           H1         G  12  -4.467  13.865  -0.341
  130   1H2     G  12          1H2         G  12  -6.038  14.937  -3.229
  131   2H2     G  12          2H2         G  12  -6.185  14.534  -1.532
  132   1H5*    A  13          1H5*        A  13  -2.697  18.197  -7.318
  133   2H5*    A  13          2H5*        A  13  -2.546  19.934  -7.644
  134    H4*    A  13           H4*        A  13  -4.801  19.608  -7.193
  135    H3*    A  13           H3*        A  13  -3.412  20.763  -4.798
  136    H2*    A  13           H2*        A  13  -5.512  20.717  -3.600
  137   2HO*    A  13          2HO*        A  13  -6.565  21.008  -5.934
  138    H1*    A  13           H1*        A  13  -6.132  18.109  -4.281
  139    H8     A  13           H8         A  13  -2.426  18.194  -4.152
  140   1H6     A  13          1H6         A  13  -1.753  17.350   0.572
  141   2H6     A  13          2H6         A  13  -2.832  17.279   1.951
  142    H2     A  13           H2         A  13  -6.936  18.188   0.415
  143   1H5*    U  14          1H5*        U  14  -6.492  23.227  -5.378
  144   2H5*    U  14          2H5*        U  14  -6.270  24.942  -4.979
  145    H4*    U  14           H4*        U  14  -7.879  23.997  -3.489
  146    H3*    U  14           H3*        U  14  -5.251  24.695  -2.208
  147    H2*    U  14           H2*        U  14  -6.112  23.921  -0.098
  148   2HO*    U  14          2HO*        U  14  -8.388  24.713  -1.080
  149    H1*    U  14           H1*        U  14  -7.298  21.602  -1.126
  150    H3     U  14           H3         U  14  -3.676  20.223   1.246
  151    H5     U  14           H5         U  14  -2.148  21.412  -2.462
  152    H6     U  14           H6         U  14  -4.331  22.217  -3.029
  153   1H5*    G  15          1H5*        G  15  -6.554  28.106   0.012
  154   2H5*    G  15          2H5*        G  15  -5.077  29.072  -0.163
  155    H4*    G  15           H4*        G  15  -5.509  27.919   2.069
  156    H3*    G  15           H3*        G  15  -2.859  27.747   0.645
  157    H2*    G  15           H2*        G  15  -2.046  26.458   2.530
  158   2HO*    G  15          2HO*        G  15  -3.986  27.779   3.789
  159    H1*    G  15           H1*        G  15  -4.238  24.770   2.600
  160    H8     G  15           H8         G  15  -3.789  25.481  -1.017
  161    H1     G  15           H1         G  15   0.559  21.396   1.288
  162   1H2     G  15          1H2         G  15  -0.832  22.086   4.336
  163   2H2     G  15          2H2         G  15   0.343  21.167   3.434
  164   1H5*    A  16          1H5*        A  16  -0.675  27.393   1.197
  165   2H5*    A  16          2H5*        A  16  -1.264  28.139   2.696
  166    H4*    A  16           H4*        A  16   1.454  28.650   1.506
  167    H3*    A  16           H3*        A  16   0.855  26.232   2.586
  168    H2*    A  16           H2*        A  16   0.244  26.869   4.795
  169   2HO*    A  16          2HO*        A  16   1.961  26.440   6.009
  170    H1*    A  16           H1*        A  16   2.218  29.184   4.838
  171    H8     A  16           H8         A  16  -1.518  29.773   4.745
  172   1H6     A  16          1H6         A  16  -2.306  30.036   9.537
  173   2H6     A  16          2H6         A  16  -1.248  29.902  10.926
  174    H2     A  16           H2         A  16   2.853  29.008   9.353
  175   1H5*    A  17          1H5*        A  17   0.869  23.711   3.600
  176   2H5*    A  17          2H5*        A  17   1.499  25.293   4.040
  177    H4*    A  17           H4*        A  17   3.459  23.374   4.733
  178    H3*    A  17           H3*        A  17   0.814  22.243   5.178
  179    H2*    A  17           H2*        A  17   0.727  22.354   7.551
  180   2HO*    A  17          2HO*        A  17   3.374  21.994   7.233
  181    H1*    A  17           H1*        A  17   1.890  24.779   8.008
  182    H8     A  17           H8         A  17  -0.221  24.217   4.753
  183   1H6     A  17          1H6         A  17  -4.031  26.854   6.097
  184   2H6     A  17          2H6         A  17  -4.459  27.696   7.575
  185    H2     A  17           H2         A  17  -1.030  27.167  10.385
  186   1H5*    A  18          1H5*        A  18   2.404  19.481   8.497
  187   2H5*    A  18          2H5*        A  18   1.137  18.277   8.191
  188    H4*    A  18           H4*        A  18   1.061  19.654  10.356
  189    H3*    A  18           H3*        A  18  -1.264  18.940   8.647
  190    H2*    A  18           H2*        A  18  -2.735  20.440   9.809
  191   2HO*    A  18          2HO*        A  18  -1.093  19.903  11.810
  192    H1*    A  18           H1*        A  18  -1.040  22.615   9.933
  193    H8     A  18           H8         A  18  -0.364  20.651   6.757
  194   1H6     A  18          1H6         A  18  -3.346  23.056   3.802
  195   2H6     A  18          2H6         A  18  -4.586  24.262   4.089
  196    H2     A  18           H2         A  18  -4.706  25.025   8.514
  197   1H5*    G  19          1H5*        G  19  -3.491  19.374  11.639
  198   2H5*    G  19          2H5*        G  19  -4.465  17.908  11.853
  199    H4*    G  19           H4*        G  19  -5.966  19.659  11.399
  200    H3*    G  19           H3*        G  19  -5.609  17.856   9.015
  201    H2*    G  19           H2*        G  19  -7.249  19.209   7.851
  202   2HO*    G  19          2HO*        G  19  -8.120  19.718  10.255
  203    H1*    G  19           H1*        G  19  -5.996  21.594   8.446
  204    H8     G  19           H8         G  19  -3.187  19.194   8.366
  205    H1     G  19           H1         G  19  -5.375  20.653   2.529
  206   1H2     G  19          1H2         G  19  -8.035  22.055   4.196
  207   2H2     G  19          2H2         G  19  -7.279  21.697   2.657
  208   1H5*    U  20          1H5*        U  20  -9.071  18.387   8.832
  209   2H5*    U  20          2H5*        U  20 -10.203  17.020   8.847
  210    H4*    U  20           H4*        U  20 -10.671  18.203   6.887
  211    H3*    U  20           H3*        U  20  -9.027  15.757   6.263
  212    H2*    U  20           H2*        U  20  -9.205  16.340   3.927
  213   2HO*    U  20          2HO*        U  20 -11.444  17.518   4.767
  214    H1*    U  20           H1*        U  20  -8.657  19.061   4.336
  215    H3     U  20           H3         U  20  -4.937  17.462   2.340
  216    H5     U  20           H5         U  20  -4.614  16.155   6.308
  217    H6     U  20           H6         U  20  -6.850  16.970   6.680
  218   1H5*    C  21          1H5*        C  21 -11.738  16.141   3.538
  219   2H5*    C  21          2H5*        C  21 -12.987  14.886   3.655
  220    H4*    C  21           H4*        C  21 -12.694  15.063   1.390
  221    H3*    C  21           H3*        C  21 -10.891  12.829   2.314
  222    H2*    C  21           H2*        C  21 -10.271  12.517  -0.004
  223   2HO*    C  21          2HO*        C  21 -12.662  13.727  -0.389
  224    H1*    C  21           H1*        C  21  -9.882  15.244  -0.482
  225   1H4     C  21          1H4         C  21  -4.619  13.186   2.945
  226   2H4     C  21          2H4         C  21  -4.134  13.156   1.267
  227    H5     C  21           H5         C  21  -6.871  13.687   3.673
  228    H6     C  21           H6         C  21  -9.110  14.323   2.940
  229   1H5*    G  22          1H5*        G  22 -12.427  11.949  -0.955
  230   2H5*    G  22          2H5*        G  22 -13.289  10.410  -1.139
  231    H4*    G  22           H4*        G  22 -11.815  10.481  -2.935
  232    H3*    G  22           H3*        G  22 -10.576   8.772  -0.776
  233    H2*    G  22           H2*        G  22  -8.800   8.326  -2.326
  234   2HO*    G  22          2HO*        G  22  -9.222   8.251  -4.401
  235    H1*    G  22           H1*        G  22  -8.792  10.991  -3.386
  236    H8     G  22           H8         G  22  -8.795  10.694   0.396
  237    H1     G  22           H1         G  22  -2.988  10.530  -2.321
  238   1H2     G  22          1H2         G  22  -4.735  10.343  -5.295
  239   2H2     G  22          2H2         G  22  -3.172  10.398  -4.507
  240   1H5*    C  23          1H5*        C  23 -10.544   7.066  -4.273
  241   2H5*    C  23          2H5*        C  23 -11.062   5.375  -4.411
  242    H4*    C  23           H4*        C  23  -9.010   5.542  -5.545
  243    H3*    C  23           H3*        C  23  -8.589   4.251  -2.848
  244    H2*    C  23           H2*        C  23  -6.288   3.973  -3.464
  245   2HO*    C  23          2HO*        C  23  -7.259   3.570  -5.811
  246    H1*    C  23           H1*        C  23  -6.142   6.477  -4.864
  247   1H4     C  23          1H4         C  23  -4.429   7.637   1.400
  248   2H4     C  23          2H4         C  23  -2.934   7.346   0.537
  249    H5     C  23           H5         C  23  -6.612   7.373   0.372
  250    H6     C  23           H6         C  23  -7.788   6.777  -1.681
  251   1H5*    A  24          1H5*        A  24  -8.336   0.609  -5.985
  252   2H5*    A  24          2H5*        A  24  -7.854  -0.793  -5.010
  253    H4*    A  24           H4*        A  24  -6.288   0.358  -6.852
  254    H3*    A  24           H3*        A  24  -5.520  -1.175  -4.389
  255    H2*    A  24           H2*        A  24  -3.206  -0.633  -4.797
  256   2HO*    A  24          2HO*        A  24  -3.736  -0.782  -7.231
  257    H1*    A  24           H1*        A  24  -3.643   2.058  -5.363
  258    H8     A  24           H8         A  24  -6.094   1.080  -2.701
  259   1H6     A  24          1H6         A  24  -3.285   1.784   1.202
  260   2H6     A  24          2H6         A  24  -1.576   2.107   1.405
  261    H2     A  24           H2         A  24   0.222   2.229  -2.694
  262   1H5*    C  25          1H5*        C  25  -2.753  -4.703  -5.920
  263   2H5*    C  25          2H5*        C  25  -1.955  -4.126  -4.447
  264    H4*    C  25           H4*        C  25  -2.317  -2.630  -7.033
  265    H3*    C  25           H3*        C  25  -0.388  -4.426  -6.681
  266    H2*    C  25           H2*        C  25   0.719  -3.656  -4.746
  267   2HO*    C  25          2HO*        C  25   1.686  -2.506  -7.020
  268    H1*    C  25           H1*        C  25   0.323  -0.715  -5.256
  269   1H4     C  25          1H4         C  25  -0.691  -2.177   1.106
  270   2H4     C  25          2H4         C  25   0.796  -1.256   1.069
  271    H5     C  25           H5         C  25  -1.885  -2.845  -0.890
  272    H6     C  25           H6         C  25  -1.916  -2.749  -3.302
  273   1H5*    G  26          1H5*        G  26  -0.527  -5.904 -10.471
  274   2H5*    G  26          2H5*        G  26  -0.834  -6.822  -8.983
  275    H4*    G  26           H4*        G  26   1.374  -4.854  -9.540
  276    H3*    G  26           H3*        G  26   1.376  -7.815  -9.002
  277    H2*    G  26           H2*        G  26   3.454  -7.548  -7.836
  278   2HO*    G  26          2HO*        G  26   4.555  -6.211  -9.223
  279    H1*    G  26           H1*        G  26   2.782  -5.033  -6.667
  280    H8     G  26           H8         G  26   3.184  -5.854  -4.330
  281    H1     G  26           H1         G  26  -0.749 -10.850  -5.160
  282   1H2     G  26          1H2         G  26  -0.998  -9.718  -8.420
  283   2H2     G  26          2H2         G  26  -1.479 -10.913  -7.236
  284   1H5*    U  27          1H5*        U  27   5.747  -6.012 -11.362
  285   2H5*    U  27          2H5*        U  27   6.309  -7.688 -11.514
  286    H4*    U  27           H4*        U  27   8.024  -6.923 -10.294
  287    H3*    U  27           H3*        U  27   5.977  -7.503  -8.159
  288    H2*    U  27           H2*        U  27   7.557  -6.695  -6.548
  289   2HO*    U  27          2HO*        U  27   9.659  -6.831  -6.895
  290    H1*    U  27           H1*        U  27   8.559  -4.613  -8.235
  291    H3     U  27           H3         U  27   6.682  -3.045  -4.286
  292    H5     U  27           H5         U  27   3.716  -2.920  -7.248
  293    H6     U  27           H6         U  27   5.166  -4.234  -8.649
  294   1H5*    A  28          1H5*        A  28   9.538  -8.576  -7.459
  295   2H5*    A  28          2H5*        A  28  10.023 -10.183  -6.886
  296    H4*    A  28           H4*        A  28  11.147  -8.451  -5.636
  297    H3*    A  28           H3*        A  28   9.270 -10.237  -4.155
  298    H2*    A  28           H2*        A  28   9.569  -8.960  -2.129
  299   2HO*    A  28          2HO*        A  28  11.879  -8.314  -3.348
  300    H1*    A  28           H1*        A  28   9.186  -6.490  -3.269
  301    H8     A  28           H8         A  28   7.034  -8.239  -5.538
  302   1H6     A  28          1H6         A  28   3.042  -8.824  -2.835
  303   2H6     A  28          2H6         A  28   2.728  -8.660  -1.119
  304    H2     A  28           H2         A  28   6.565  -7.633   0.848
  305   1H5*    C  29          1H5*        C  29  12.977 -10.474  -1.809
  306   2H5*    C  29          2H5*        C  29  13.203 -12.162  -1.311
  307    H4*    C  29           H4*        C  29  13.216 -10.685   0.605
  308    H3*    C  29           H3*        C  29  10.956 -12.651   0.472
  309    H2*    C  29           H2*        C  29  10.018 -11.698   2.486
  310   2HO*    C  29          2HO*        C  29  11.351 -10.818   3.871
  311    H1*    C  29           H1*        C  29  10.193  -9.080   1.665
  312   1H4     C  29          1H4         C  29   5.444 -11.577  -2.162
  313   2H4     C  29          2H4         C  29   4.653 -11.218  -0.649
  314    H5     C  29           H5         C  29   7.834 -11.389  -2.480
  315    H6     C  29           H6         C  29   9.948 -10.829  -1.401
  316   1H5*    G  30          1H5*        G  30  12.307 -12.252   4.312
  317   2H5*    G  30          2H5*        G  30  12.412 -13.758   5.242
  318    H4*    G  30           H4*        G  30  11.093 -12.092   6.411
  319    H3*    G  30           H3*        G  30   9.729 -14.620   5.592
  320    H2*    G  30           H2*        G  30   7.590 -13.778   6.288
  321   2HO*    G  30          2HO*        G  30   7.553 -12.444   7.933
  322    H1*    G  30           H1*        G  30   7.811 -11.282   5.141
  323    H8     G  30           H8         G  30   9.692 -13.444   2.808
  324    H1     G  30           H1         G  30   3.342 -14.164   2.344
  325   1H2     G  30          1H2         G  30   3.259 -12.446   5.329
  326   2H2     G  30          2H2         G  30   2.346 -13.262   4.081
  327   1H5*    G  31          1H5*        G  31   8.453 -13.367   9.524
  328   2H5*    G  31          2H5*        G  31   8.479 -14.743  10.644
  329    H4*    G  31           H4*        G  31   6.399 -13.534  10.831
  330    H3*    G  31           H3*        G  31   6.235 -16.346   9.827
  331    H2*    G  31           H2*        G  31   3.859 -16.111   9.450
  332   2HO*    G  31          2HO*        G  31   2.724 -14.625  10.462
  333    H1*    G  31           H1*        G  31   4.014 -13.754   8.070
  334    H8     G  31           H8         G  31   7.294 -15.260   7.346
  335    H1     G  31           H1         G  31   2.584 -18.068   4.057
  336   1H2     G  31          1H2         G  31   0.491 -16.450   6.341
  337   2H2     G  31          2H2         G  31   0.600 -17.522   4.964
  338   1H5*    U  32          1H5*        U  32   3.017 -15.870  11.864
  339   2H5*    U  32          2H5*        U  32   2.611 -17.147  13.028
  340    H4*    U  32           H4*        U  32   0.806 -16.830  11.461
  341    H3*    U  32           H3*        U  32   2.224 -19.463  11.381
  342    H2*    U  32           H2*        U  32   0.965 -20.150   9.469
  343   2HO*    U  32          2HO*        U  32  -1.092 -19.587   9.658
  344    H1*    U  32           H1*        U  32   0.953 -17.676   8.140
  345    H3     U  32           H3         U  32   3.434 -20.674   5.740
  346    H5     U  32           H5         U  32   6.097 -18.758   8.353
  347    H6     U  32           H6         U  32   4.195 -17.850   9.500
  348   1H5*    U  33          1H5*        U  33  -2.134 -19.998  11.476
  349   2H5*    U  33          2H5*        U  33  -2.574 -21.325  12.568
  350    H4*    U  33           H4*        U  33  -3.701 -21.556  10.448
  351    H3*    U  33           H3*        U  33  -1.783 -23.690  11.239
  352    H2*    U  33           H2*        U  33  -1.877 -24.744   9.094
  353   2HO*    U  33          2HO*        U  33  -4.333 -23.870   9.138
  354    H1*    U  33           H1*        U  33  -1.833 -22.452   7.526
  355    H3     U  33           H3         U  33   2.309 -24.202   7.012
  356    H5     U  33           H5         U  33   2.477 -22.050  10.611
  357    H6     U  33           H6         U  33   0.087 -21.836  10.500
  358   1H5*    C  34          1H5*        C  34  -4.751 -25.946   9.405
  359   2H5*    C  34          2H5*        C  34  -5.297 -27.187  10.551
  360    H4*    C  34           H4*        C  34  -4.698 -28.254   8.512
  361    H3*    C  34           H3*        C  34  -2.889 -28.799  10.825
  362    H2*    C  34           H2*        C  34  -1.356 -30.010   9.448
  363   2HO*    C  34          2HO*        C  34  -3.537 -30.666   8.187
  364    H1*    C  34           H1*        C  34  -1.460 -28.319   7.218
  365   1H4     C  34          1H4         C  34   2.610 -25.259  11.392
  366   2H4     C  34          2H4         C  34   3.627 -26.246  10.372
  367    H5     C  34           H5         C  34   0.193 -25.344  11.319
  368    H6     C  34           H6         C  34  -1.731 -26.366  10.228
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  15.572 -31.522   8.305
    2   2H5*    G   1          2H5*        G   1  15.396 -30.168   7.176
    3    H4*    G   1           H4*        G   1  14.445 -32.149   6.225
    4    H3*    G   1           H3*        G   1  12.548 -29.932   6.872
    5    H2*    G   1           H2*        G   1  10.668 -31.297   6.208
    6   2HO*    G   1          2HO*        G   1  12.429 -32.435   4.653
    7    H1*    G   1           H1*        G   1  11.390 -33.510   7.656
    8    H8     G   1           H8         G   1  12.869 -31.073   9.880
    9    H1     G   1           H1         G   1   6.464 -30.741   9.994
   10   1H2     G   1          1H2         G   1   6.626 -32.637   7.111
   11   2H2     G   1          2H2         G   1   5.611 -31.823   8.281
   12    H5T    G   1           H5T        G   1  14.724 -30.122   9.640
   13   1H5*    A   2          1H5*        A   2  11.563 -31.157   2.966
   14   2H5*    A   2          2H5*        A   2  11.457 -29.783   1.848
   15    H4*    A   2           H4*        A   2   9.487 -31.152   1.671
   16    H3*    A   2           H3*        A   2   9.122 -28.373   2.700
   17    H2*    A   2           H2*        A   2   6.792 -28.782   3.171
   18   2HO*    A   2          2HO*        A   2   7.112 -30.612   1.252
   19    H1*    A   2           H1*        A   2   7.143 -31.168   4.475
   20    H8     A   2           H8         A   2  10.317 -29.676   5.413
   21   1H6     A   2          1H6         A   2   8.916 -26.751   8.991
   22   2H6     A   2          2H6         A   2   7.376 -26.121   9.525
   23    H2     A   2           H2         A   2   4.305 -27.869   6.739
   24   1H5*    G   3          1H5*        G   3   6.092 -29.292  -0.237
   25   2H5*    G   3          2H5*        G   3   5.823 -27.942  -1.356
   26    H4*    G   3           H4*        G   3   3.728 -28.758  -0.473
   27    H3*    G   3           H3*        G   3   4.491 -25.958   0.270
   28    H2*    G   3           H2*        G   3   2.504 -25.779   1.640
   29   2HO*    G   3          2HO*        G   3   1.608 -27.616  -0.044
   30    H1*    G   3           H1*        G   3   2.866 -28.168   2.962
   31    H8     G   3           H8         G   3   6.351 -27.205   2.299
   32    H1     G   3           H1         G   3   3.643 -23.585   6.844
   33   1H2     G   3          1H2         G   3   0.684 -24.971   5.749
   34   2H2     G   3          2H2         G   3   1.468 -23.868   6.854
   35   1H5*    C   4          1H5*        C   4   0.538 -26.125  -0.238
   36   2H5*    C   4          2H5*        C   4  -0.148 -24.842  -1.252
   37    H4*    C   4           H4*        C   4  -1.309 -24.977   0.858
   38    H3*    C   4           H3*        C   4   0.190 -22.455   0.291
   39    H2*    C   4           H2*        C   4  -0.279 -21.611   2.491
   40   2HO*    C   4          2HO*        C   4  -1.943 -23.898   2.870
   41    H1*    C   4           H1*        C   4   0.213 -23.968   3.883
   42   1H4     C   4          1H4         C   4   6.267 -21.847   2.517
   43   2H4     C   4          2H4         C   4   5.841 -21.102   4.038
   44    H5     C   4           H5         C   4   4.691 -23.089   1.173
   45    H6     C   4           H6         C   4   2.403 -23.904   1.041
   46   1H5*    C   5          1H5*        C   5  -3.484 -21.318   1.847
   47   2H5*    C   5          2H5*        C   5  -4.273 -20.034   0.913
   48    H4*    C   5           H4*        C   5  -4.138 -19.437   3.249
   49    H3*    C   5           H3*        C   5  -2.637 -17.730   1.312
   50    H2*    C   5           H2*        C   5  -1.600 -16.486   3.079
   51   2HO*    C   5          2HO*        C   5  -2.707 -16.178   4.862
   52    H1*    C   5           H1*        C   5  -1.037 -18.635   4.755
   53   1H4     C   5          1H4         C   5   3.648 -19.093   0.178
   54   2H4     C   5          2H4         C   5   4.227 -17.866   1.280
   55    H5     C   5           H5         C   5   1.435 -20.057   0.314
   56    H6     C   5           H6         C   5  -0.682 -20.017   1.528
   57   1H5*    G   6          1H5*        G   6  -4.422 -15.746   4.367
   58   2H5*    G   6          2H5*        G   6  -5.384 -14.300   4.004
   59    H4*    G   6           H4*        G   6  -3.863 -13.930   5.871
   60    H3*    G   6           H3*        G   6  -3.464 -12.247   3.421
   61    H2*    G   6           H2*        G   6  -1.503 -11.241   4.422
   62   2HO*    G   6          2HO*        G   6  -0.898 -11.948   6.590
   63    H1*    G   6           H1*        G   6  -0.324 -13.610   5.155
   64    H8     G   6           H8         G   6  -2.356 -14.471   2.145
   65    H1     G   6           H1         G   6   3.026 -11.331   0.727
   66   1H2     G   6          1H2         G   6   3.145 -10.700   4.176
   67   2H2     G   6          2H2         G   6   3.882 -10.417   2.620
   68   1H5*    U   7          1H5*        U   7  -2.396 -10.195   6.370
   69   2H5*    U   7          2H5*        U   7  -2.979  -8.529   6.542
   70    H4*    U   7           H4*        U   7  -0.565  -8.612   6.600
   71    H3*    U   7           H3*        U   7  -1.806  -7.132   4.314
   72    H2*    U   7           H2*        U   7   0.347  -6.763   3.324
   73   2HO*    U   7          2HO*        U   7   1.196  -7.385   5.936
   74    H1*    U   7           H1*        U   7   1.420  -9.294   3.870
   75    H3     U   7           H3         U   7   0.917  -9.304  -0.635
   76    H5     U   7           H5         U   7  -2.883 -10.115   0.861
   77    H6     U   7           H6         U   7  -2.103  -9.506   3.039
   78   1H5*    A   8          1H5*        A   8   1.436  -5.570   5.884
   79   2H5*    A   8          2H5*        A   8   1.448  -3.868   6.381
   80    H4*    A   8           H4*        A   8   3.478  -4.459   5.195
   81    H3*    A   8           H3*        A   8   1.712  -2.481   3.745
   82    H2*    A   8           H2*        A   8   3.442  -2.344   2.086
   83   2HO*    A   8          2HO*        A   8   4.965  -2.944   4.250
   84    H1*    A   8           H1*        A   8   4.156  -5.130   2.310
   85    H8     A   8           H8         A   8   0.511  -5.030   1.690
   86   1H6     A   8          1H6         A   8   0.581  -4.663  -3.116
   87   2H6     A   8          2H6         A   8   1.800  -4.242  -4.305
   88    H2     A   8           H2         A   8   5.559  -3.476  -1.965
   89   1H5*    U   9          1H5*        U   9   4.940  -1.082   3.235
   90   2H5*    U   9          2H5*        U   9   5.275   0.522   3.916
   91    H4*    U   9           H4*        U   9   5.945   0.553   1.651
   92    H3*    U   9           H3*        U   9   3.469   2.140   2.215
   93    H2*    U   9           H2*        U   9   3.253   2.674  -0.117
   94   2HO*    U   9          2HO*        U   9   5.924   2.241  -0.036
   95    H1*    U   9           H1*        U   9   3.875   0.124  -1.084
   96    H3     U   9           H3         U   9  -0.615   1.031  -1.668
   97    H5     U   9           H5         U   9  -0.238  -0.972   2.002
   98    H6     U   9           H6         U   9   2.142  -0.676   1.830
   99   1H5*    G  10          1H5*        G  10   5.736   4.013  -0.329
  100   2H5*    G  10          2H5*        G  10   6.398   5.571   0.201
  101    H4*    G  10           H4*        G  10   5.675   5.685  -2.100
  102    H3*    G  10           H3*        G  10   4.073   7.360  -0.174
  103    H2*    G  10           H2*        G  10   2.788   8.153  -2.051
  104   2HO*    G  10          2HO*        G  10   5.055   7.643  -3.349
  105    H1*    G  10           H1*        G  10   2.557   5.625  -3.271
  106    H8     G  10           H8         G  10   2.199   5.314   0.458
  107    H1     G  10           H1         G  10  -3.126   7.311  -2.524
  108   1H2     G  10          1H2         G  10  -1.044   7.726  -5.252
  109   2H2     G  10          2H2         G  10  -2.660   7.863  -4.600
  110   1H5*    C  11          1H5*        C  11   5.825   9.515  -3.615
  111   2H5*    C  11          2H5*        C  11   6.496  11.053  -3.041
  112    H4*    C  11           H4*        C  11   5.333  11.362  -5.129
  113    H3*    C  11           H3*        C  11   4.092  12.707  -2.743
  114    H2*    C  11           H2*        C  11   2.368  13.572  -4.204
  115   2HO*    C  11          2HO*        C  11   4.216  13.520  -5.992
  116    H1*    C  11           H1*        C  11   1.902  11.162  -5.510
  117   1H4     C  11          1H4         C  11  -0.910  10.346   0.402
  118   2H4     C  11          2H4         C  11  -2.102  11.185  -0.561
  119    H5     C  11           H5         C  11   1.344   9.903  -0.395
  120    H6     C  11           H6         C  11   2.900  10.225  -2.245
  121   1H5*    G  12          1H5*        G  12   4.547  15.496  -5.980
  122   2H5*    G  12          2H5*        G  12   4.878  17.138  -5.395
  123    H4*    G  12           H4*        G  12   2.951  17.082  -6.878
  124    H3*    G  12           H3*        G  12   2.387  17.891  -4.036
  125    H2*    G  12           H2*        G  12   0.055  18.144  -4.643
  126   2HO*    G  12          2HO*        G  12   1.171  18.202  -7.167
  127    H1*    G  12           H1*        G  12  -0.128  15.683  -5.871
  128    H8     G  12           H8         G  12   2.406  15.125  -3.211
  129    H1     G  12           H1         G  12  -3.576  15.566  -0.965
  130   1H2     G  12          1H2         G  12  -4.336  16.707  -4.139
  131   2H2     G  12          2H2         G  12  -4.918  16.312  -2.538
  132   1H5*    A  13          1H5*        A  13   0.258  19.880  -6.746
  133   2H5*    A  13          2H5*        A  13   0.711  21.593  -6.827
  134    H4*    A  13           H4*        A  13  -1.595  21.502  -7.225
  135    H3*    A  13           H3*        A  13  -0.925  22.542  -4.504
  136    H2*    A  13           H2*        A  13  -3.267  22.665  -3.940
  137   2HO*    A  13          2HO*        A  13  -4.294  23.317  -5.771
  138    H1*    A  13           H1*        A  13  -3.928  20.143  -4.850
  139    H8     A  13           H8         A  13  -0.385  19.879  -3.743
  140   1H6     A  13          1H6         A  13  -1.076  18.840   0.930
  141   2H6     A  13          2H6         A  13  -2.485  18.807   1.970
  142    H2     A  13           H2         A  13  -5.949  20.107  -0.538
  143   1H5*    U  14          1H5*        U  14  -3.737  24.978  -5.667
  144   2H5*    U  14          2H5*        U  14  -3.525  26.690  -5.253
  145    H4*    U  14           H4*        U  14  -5.472  25.839  -4.152
  146    H3*    U  14           H3*        U  14  -3.177  26.503  -2.329
  147    H2*    U  14           H2*        U  14  -4.536  25.845  -0.449
  148   2HO*    U  14          2HO*        U  14  -6.644  26.080  -0.601
  149    H1*    U  14           H1*        U  14  -5.489  23.502  -1.633
  150    H3     U  14           H3         U  14  -2.444  22.241   1.525
  151    H5     U  14           H5         U  14  -0.188  23.154  -1.878
  152    H6     U  14           H6         U  14  -2.193  23.979  -2.904
  153   1H5*    G  15          1H5*        G  15  -4.427  30.369  -0.489
  154   2H5*    G  15          2H5*        G  15  -2.705  30.749  -0.296
  155    H4*    G  15           H4*        G  15  -4.250  29.881   1.694
  156    H3*    G  15           H3*        G  15  -1.300  29.453   1.299
  157    H2*    G  15           H2*        G  15  -1.307  28.101   3.321
  158   2HO*    G  15          2HO*        G  15  -3.366  29.583   3.934
  159    H1*    G  15           H1*        G  15  -3.429  26.545   2.539
  160    H8     G  15           H8         G  15  -2.083  27.189  -0.773
  161    H1     G  15           H1         G  15   1.787  23.403   2.634
  162   1H2     G  15          1H2         G  15  -0.174  24.261   5.325
  163   2H2     G  15          2H2         G  15   1.189  23.362   4.704
  164   1H5*    A  16          1H5*        A  16   0.394  28.494   2.621
  165   2H5*    A  16          2H5*        A  16  -0.101  29.493   4.003
  166    H4*    A  16           H4*        A  16   2.670  29.660   2.870
  167    H3*    A  16           H3*        A  16   1.857  27.233   3.800
  168    H2*    A  16           H2*        A  16   1.323  27.725   6.032
  169   2HO*    A  16          2HO*        A  16   3.575  26.734   5.994
  170    H1*    A  16           H1*        A  16   3.339  29.958   6.315
  171    H8     A  16           H8         A  16  -0.419  30.537   5.989
  172   1H6     A  16          1H6         A  16  -1.420  30.829  10.750
  173   2H6     A  16          2H6         A  16  -0.447  30.604  12.189
  174    H2     A  16           H2         A  16   3.704  29.615  10.800
  175   1H5*    A  17          1H5*        A  17   4.706  24.087   4.759
  176   2H5*    A  17          2H5*        A  17   3.198  23.212   4.454
  177    H4*    A  17           H4*        A  17   4.132  24.386   6.865
  178    H3*    A  17           H3*        A  17   1.662  22.801   6.179
  179    H2*    A  17           H2*        A  17   0.639  23.594   8.145
  180   2HO*    A  17          2HO*        A  17   2.387  22.728   9.438
  181    H1*    A  17           H1*        A  17   2.494  25.904   8.395
  182    H8     A  17           H8         A  17  -0.179  26.066   5.693
  183   1H6     A  17          1H6         A  17  -3.362  28.767   8.196
  184   2H6     A  17          2H6         A  17  -3.573  29.082   9.906
  185    H2     A  17           H2         A  17  -0.250  26.897  12.013
  186   1H5*    A  18          1H5*        A  18   2.356  19.056   9.010
  187   2H5*    A  18          2H5*        A  18   0.896  18.387   8.257
  188    H4*    A  18           H4*        A  18   0.904  19.310  10.722
  189    H3*    A  18           H3*        A  18  -1.313  19.299   8.735
  190    H2*    A  18           H2*        A  18  -2.642  20.816  10.046
  191   2HO*    A  18          2HO*        A  18  -1.334  19.689  12.034
  192    H1*    A  18           H1*        A  18  -0.653  22.619  10.647
  193    H8     A  18           H8         A  18   0.094  21.112   7.250
  194   1H6     A  18          1H6         A  18  -2.184  24.400   4.516
  195   2H6     A  18          2H6         A  18  -3.270  25.725   4.882
  196    H2     A  18           H2         A  18  -3.775  25.788   9.346
  197   1H5*    G  19          1H5*        G  19  -3.935  19.752  11.351
  198   2H5*    G  19          2H5*        G  19  -4.807  18.211  11.467
  199    H4*    G  19           H4*        G  19  -6.485  19.708  11.005
  200    H3*    G  19           H3*        G  19  -5.636  18.420   8.429
  201    H2*    G  19           H2*        G  19  -7.277  19.763   7.268
  202   2HO*    G  19          2HO*        G  19  -9.003  20.309   8.386
  203    H1*    G  19           H1*        G  19  -6.497  22.144   8.442
  204    H8     G  19           H8         G  19  -3.281  20.481   8.404
  205    H1     G  19           H1         G  19  -5.116  22.164   2.511
  206   1H2     G  19          1H2         G  19  -8.192  22.782   3.987
  207   2H2     G  19          2H2         G  19  -7.228  22.810   2.528
  208   1H5*    U  20          1H5*        U  20  -9.372  18.568   8.035
  209   2H5*    U  20          2H5*        U  20 -10.153  17.112   7.390
  210    H4*    U  20           H4*        U  20 -10.551  18.990   5.936
  211    H3*    U  20           H3*        U  20  -8.752  16.876   4.755
  212    H2*    U  20           H2*        U  20  -8.815  18.163   2.700
  213   2HO*    U  20          2HO*        U  20 -10.181  19.919   2.474
  214    H1*    U  20           H1*        U  20  -8.242  20.564   3.980
  215    H3     U  20           H3         U  20  -4.527  19.001   1.796
  216    H5     U  20           H5         U  20  -4.401  17.317   5.641
  217    H6     U  20           H6         U  20  -6.625  18.161   5.999
  218   1H5*    C  21          1H5*        C  21 -11.035  18.277   2.119
  219   2H5*    C  21          2H5*        C  21 -12.283  17.139   1.576
  220    H4*    C  21           H4*        C  21 -11.634  18.252  -0.352
  221    H3*    C  21           H3*        C  21 -10.365  15.542  -0.184
  222    H2*    C  21           H2*        C  21  -9.191  15.959  -2.248
  223   2HO*    C  21          2HO*        C  21 -11.257  17.496  -2.736
  224    H1*    C  21           H1*        C  21  -8.334  18.512  -1.570
  225   1H4     C  21          1H4         C  21  -4.617  14.483   2.096
  226   2H4     C  21          2H4         C  21  -3.699  14.734   0.631
  227    H5     C  21           H5         C  21  -6.859  15.291   2.426
  228    H6     C  21           H6         C  21  -8.667  16.613   1.454
  229   1H5*    G  22          1H5*        G  22 -11.214  15.738  -3.693
  230   2H5*    G  22          2H5*        G  22 -12.266  14.512  -4.428
  231    H4*    G  22           H4*        G  22 -10.328  14.538  -5.730
  232    H3*    G  22           H3*        G  22 -10.212  12.187  -3.836
  233    H2*    G  22           H2*        G  22  -8.158  11.570  -4.924
  234   2HO*    G  22          2HO*        G  22  -9.337  12.867  -6.975
  235    H1*    G  22           H1*        G  22  -7.240  14.261  -5.170
  236    H8     G  22           H8         G  22  -8.607  13.430  -1.733
  237    H1     G  22           H1         G  22  -2.473  11.804  -2.637
  238   1H2     G  22          1H2         G  22  -3.074  12.578  -5.952
  239   2H2     G  22          2H2         G  22  -1.921  12.043  -4.750
  240   1H5*    C  23          1H5*        C  23  -9.139  11.005  -7.348
  241   2H5*    C  23          2H5*        C  23 -10.125   9.702  -8.038
  242    H4*    C  23           H4*        C  23  -7.927   9.061  -8.444
  243    H3*    C  23           H3*        C  23  -8.906   7.585  -5.999
  244    H2*    C  23           H2*        C  23  -6.790   6.436  -5.998
  245   2HO*    C  23          2HO*        C  23  -6.559   6.046  -8.205
  246    H1*    C  23           H1*        C  23  -5.297   8.762  -6.682
  247   1H4     C  23          1H4         C  23  -5.914   8.920  -0.123
  248   2H4     C  23          2H4         C  23  -4.542   7.880  -0.437
  249    H5     C  23           H5         C  23  -7.338   9.773  -1.908
  250    H6     C  23           H6         C  23  -7.704   9.804  -4.321
  251   1H5*    A  24          1H5*        A  24  -8.686   4.190  -9.399
  252   2H5*    A  24          2H5*        A  24  -9.062   2.705  -8.504
  253    H4*    A  24           H4*        A  24  -6.695   3.107  -9.545
  254    H3*    A  24           H3*        A  24  -7.347   1.732  -6.966
  255    H2*    A  24           H2*        A  24  -5.006   1.557  -6.438
  256   2HO*    A  24          2HO*        A  24  -4.673   1.333  -8.952
  257    H1*    A  24           H1*        A  24  -4.336   4.158  -7.149
  258    H8     A  24           H8         A  24  -7.812   4.138  -5.663
  259   1H6     A  24          1H6         A  24  -6.587   4.767  -0.990
  260   2H6     A  24          2H6         A  24  -5.045   4.743  -0.157
  261    H2     A  24           H2         A  24  -1.892   3.868  -3.191
  262   1H5*    C  25          1H5*        C  25  -5.298  -2.505  -7.884
  263   2H5*    C  25          2H5*        C  25  -4.989  -2.429  -6.140
  264    H4*    C  25           H4*        C  25  -3.768  -0.854  -8.365
  265    H3*    C  25           H3*        C  25  -2.726  -3.001  -7.184
  266    H2*    C  25           H2*        C  25  -2.624  -2.333  -4.917
  267   2HO*    C  25          2HO*        C  25  -0.395  -1.533  -6.337
  268    H1*    C  25           H1*        C  25  -1.954   0.553  -5.497
  269   1H4     C  25          1H4         C  25  -6.139   0.058  -0.398
  270   2H4     C  25          2H4         C  25  -4.698   0.871   0.188
  271    H5     C  25           H5         C  25  -6.288  -0.845  -2.657
  272    H6     C  25           H6         C  25  -5.124  -1.095  -4.767
  273   1H5*    G  26          1H5*        G  26  -2.975  -4.795 -10.067
  274   2H5*    G  26          2H5*        G  26  -3.315  -4.186  -8.441
  275    H4*    G  26           H4*        G  26  -0.567  -3.911  -9.584
  276    H3*    G  26           H3*        G  26  -1.784  -6.507  -8.848
  277    H2*    G  26           H2*        G  26  -0.047  -7.070  -7.307
  278   2HO*    G  26          2HO*        G  26   1.660  -6.149  -8.792
  279    H1*    G  26           H1*        G  26   0.284  -4.578  -6.146
  280    H8     G  26           H8         G  26  -0.594  -5.161  -3.901
  281    H1     G  26           H1         G  26  -6.104  -7.374  -6.316
  282   1H2     G  26          1H2         G  26  -4.687  -6.657  -9.393
  283   2H2     G  26          2H2         G  26  -6.075  -7.260  -8.517
  284   1H5*    U  27          1H5*        U  27   2.335  -5.286 -11.227
  285   2H5*    U  27          2H5*        U  27   3.181  -6.779 -11.679
  286    H4*    U  27           H4*        U  27   4.969  -5.675 -10.927
  287    H3*    U  27           H3*        U  27   3.797  -6.798  -8.400
  288    H2*    U  27           H2*        U  27   5.450  -5.621  -7.134
  289   2HO*    U  27          2HO*        U  27   6.871  -6.060  -9.355
  290    H1*    U  27           H1*        U  27   5.497  -3.311  -8.807
  291    H3     U  27           H3         U  27   4.189  -2.596  -4.354
  292    H5     U  27           H5         U  27   0.769  -2.749  -6.771
  293    H6     U  27           H6         U  27   2.135  -3.656  -8.527
  294   1H5*    A  28          1H5*        A  28   7.216  -6.769  -7.762
  295   2H5*    A  28          2H5*        A  28   8.099  -8.208  -7.221
  296    H4*    A  28           H4*        A  28   8.408  -6.408  -5.661
  297    H3*    A  28           H3*        A  28   6.937  -8.820  -4.704
  298    H2*    A  28           H2*        A  28   6.531  -7.783  -2.565
  299   2HO*    A  28          2HO*        A  28   7.578  -5.314  -3.051
  300    H1*    A  28           H1*        A  28   5.584  -5.404  -3.565
  301    H8     A  28           H8         A  28   4.567  -7.499  -6.323
  302   1H6     A  28          1H6         A  28   0.471  -9.413  -4.572
  303   2H6     A  28          2H6         A  28  -0.193  -9.538  -2.955
  304    H2     A  28           H2         A  28   2.660  -7.557  -0.177
  305   1H5*    C  29          1H5*        C  29  10.098  -8.152  -1.906
  306   2H5*    C  29          2H5*        C  29  10.994  -9.648  -1.572
  307    H4*    C  29           H4*        C  29  10.309  -8.571   0.480
  308    H3*    C  29           H3*        C  29   9.158 -11.270  -0.091
  309    H2*    C  29           H2*        C  29   7.748 -11.132   1.856
  310   2HO*    C  29          2HO*        C  29   8.374  -9.959   3.505
  311    H1*    C  29           H1*        C  29   6.824  -8.574   1.395
  312   1H4     C  29          1H4         C  29   3.679 -11.919  -3.263
  313   2H4     C  29          2H4         C  29   2.901 -12.427  -1.787
  314    H5     C  29           H5         C  29   5.701 -10.591  -3.294
  315    H6     C  29           H6         C  29   7.349  -9.445  -1.908
  316   1H5*    G  30          1H5*        G  30  10.197 -10.597   3.804
  317   2H5*    G  30          2H5*        G  30  11.033 -11.894   4.679
  318    H4*    G  30           H4*        G  30   9.183 -11.007   5.970
  319    H3*    G  30           H3*        G  30   9.019 -13.880   5.148
  320    H2*    G  30           H2*        G  30   6.801 -14.057   6.058
  321   2HO*    G  30          2HO*        G  30   6.384 -12.889   7.774
  322    H1*    G  30           H1*        G  30   5.827 -11.691   5.012
  323    H8     G  30           H8         G  30   8.290 -13.151   2.549
  324    H1     G  30           H1         G  30   2.512 -15.887   2.346
  325   1H2     G  30          1H2         G  30   1.937 -14.175   5.319
  326   2H2     G  30          2H2         G  30   1.309 -15.280   4.116
  327   1H5*    G  31          1H5*        G  31   7.769 -13.111   9.100
  328   2H5*    G  31          2H5*        G  31   8.379 -14.265  10.301
  329    H4*    G  31           H4*        G  31   6.024 -13.897  10.625
  330    H3*    G  31           H3*        G  31   6.831 -16.650   9.764
  331    H2*    G  31           H2*        G  31   4.502 -17.312   9.690
  332   2HO*    G  31          2HO*        G  31   2.960 -16.156  10.667
  333    H1*    G  31           H1*        G  31   3.655 -15.169   8.199
  334    H8     G  31           H8         G  31   7.204 -15.615   7.220
  335    H1     G  31           H1         G  31   3.327 -19.829   4.373
  336   1H2     G  31          1H2         G  31   1.001 -18.826   6.735
  337   2H2     G  31          2H2         G  31   1.372 -19.897   5.401
  338   1H5*    U  32          1H5*        U  32   3.858 -16.949  12.068
  339   2H5*    U  32          2H5*        U  32   3.876 -18.162  13.362
  340    H4*    U  32           H4*        U  32   1.954 -18.472  11.943
  341    H3*    U  32           H3*        U  32   3.991 -20.646  12.017
  342    H2*    U  32           H2*        U  32   2.950 -21.834  10.227
  343   2HO*    U  32          2HO*        U  32   0.822 -21.851  10.534
  344    H1*    U  32           H1*        U  32   2.175 -19.619   8.681
  345    H3     U  32           H3         U  32   5.307 -21.920   6.320
  346    H5     U  32           H5         U  32   7.436 -19.221   8.731
  347    H6     U  32           H6         U  32   5.404 -18.863   9.971
  348   1H5*    U  33          1H5*        U  33   0.028 -22.132  12.166
  349   2H5*    U  33          2H5*        U  33  -0.229 -23.401  13.379
  350    H4*    U  33           H4*        U  33  -1.132 -24.080  11.256
  351    H3*    U  33           H3*        U  33   1.140 -25.659  12.355
  352    H2*    U  33           H2*        U  33   1.379 -26.932  10.346
  353   2HO*    U  33          2HO*        U  33  -0.417 -27.410   9.328
  354    H1*    U  33           H1*        U  33   1.071 -24.851   8.534
  355    H3     U  33           H3         U  33   5.493 -25.854   8.468
  356    H5     U  33           H5         U  33   5.007 -23.283  11.746
  357    H6     U  33           H6         U  33   2.627 -23.506  11.465
  358   1H5*    C  34          1H5*        C  34  -1.628 -28.228  10.402
  359   2H5*    C  34          2H5*        C  34  -2.047 -29.587  11.463
  360    H4*    C  34           H4*        C  34  -1.502 -30.390   9.266
  361    H3*    C  34           H3*        C  34   0.325 -31.192  11.489
  362    H2*    C  34           H2*        C  34   1.830 -32.255   9.959
  363   2HO*    C  34          2HO*        C  34  -0.350 -32.756   8.662
  364    H1*    C  34           H1*        C  34   1.758 -30.296   7.971
  365   1H4     C  34          1H4         C  34   5.737 -27.750  12.564
  366   2H4     C  34          2H4         C  34   6.770 -28.646  11.477
  367    H5     C  34           H5         C  34   3.319 -27.797  12.404
  368    H6     C  34           H6         C  34   1.424 -28.684  11.153