*HEADER    DNA                                     17-JAN-00   1DUF
*TITLE     THE NMR STRUCTURE OF DNA DODECAMER DETERMINED IN AQUEOUS
*TITLE    2 DILUTE LIQUID CRYSTALLINE PHASE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-
*COMPND   3 3');
*COMPND   4 CHAIN: A, B;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES
*KEYWDS    B-DNA, DOUBLE HELIX, DIPOLAR COUPLING
*EXPDTA    NMR, 5 STRUCTURES
*AUTHOR    N.TJANDRA, S.TATE, A.ONO, M.KAINOSHO, A.BAX
*REVDAT   1   14-JUL-00 1DUF    0


!Bax's NOESY
assign ( resid 2   and name H1'   )  ( resid 3   and name H6    )  3.40 0.45  0.45
assign ( resid 14  and name H1'   )  ( resid 15  and name H6    )  3.40 0.45  0.45
assign ( resid 3   and name H1'   )  ( resid 4   and name H8    )  4.00 0.60  0.60
assign ( resid 15  and name H1'   )  ( resid 16  and name H8    )  4.00 0.60  0.60
assign ( resid 4   and name H1'   )  ( resid 5   and name H8    )  3.20 0.45  0.45
assign ( resid 16  and name H1'   )  ( resid 17  and name H8    )  3.20 0.45  0.45
assign ( resid 5   and name H1'   )  ( resid 6   and name H8    )  3.40 0.60  0.60
assign ( resid 17  and name H1'   )  ( resid 18  and name H8    )  3.40 0.60  0.60
assign ( resid 6   and name H1'   )  ( resid 7   and name H6    )  3.40 0.45  0.45
assign ( resid 18  and name H1'   )  ( resid 19  and name H6    )  3.40 0.45  0.45
assign ( resid 7   and name H1'   )  ( resid 8   and name H6    )  4.00 0.60  0.60
assign ( resid 19  and name H1'   )  ( resid 20  and name H6    )  4.00 0.60  0.60
assign ( resid 8   and name H1'   )  ( resid 9   and name H6    )  4.00 0.60  0.60
assign ( resid 20  and name H1'   )  ( resid 21  and name H6    )  4.00 0.60  0.60
assign ( resid 9   and name H1'   )  ( resid 10  and name H8    )  3.70 0.60  0.60
assign ( resid 21  and name H1'   )  ( resid 22  and name H8    )  3.70 0.60  0.60
assign ( resid 10  and name H1'   )  ( resid 11  and name H6    )  3.30 0.45  0.45
assign ( resid 22  and name H1'   )  ( resid 23  and name H6    )  3.30 0.45  0.45
assign ( resid 11  and name H1'   )  ( resid 12  and name H8    )  4.30 1.05  1.05
assign ( resid 23  and name H1'   )  ( resid 24  and name H8    )  4.30 1.05  1.05

assign ( resid 2   and name H8    )  ( resid 3   and name H5    )  3.70 0.75  0.75
assign ( resid 14  and name H8    )  ( resid 15  and name H5    )  3.70 0.75  0.75
assign ( resid 8   and name H6    )  ( resid 9   and name H5    )  3.50 0.75  0.75
assign ( resid 20  and name H6    )  ( resid 21  and name H5    )  3.50 0.75  0.75
assign ( resid 10  and name H8    )  ( resid 11  and name H5    )  3.50 0.75  0.75
assign ( resid 22  and name H8    )  ( resid 23  and name H5    )  3.50 0.75  0.75

assign ( resid 6   and name H2    )  ( resid 6   and name H1'   )  4.00 0.75  0.75
assign ( resid 18  and name H2    )  ( resid 18  and name H1'   )  4.00 0.75  0.75
assign ( resid 6   and name H2    )  ( resid 20  and name H1'   )  4.00 0.75  0.75
assign ( resid 8   and name H1'   )  ( resid 18  and name H2    )  4.00 0.75  0.75
assign ( resid 8   and name H1'   )  ( resid 17  and name H2    )  6.50 2.25  2.25
assign ( resid 20  and name H1'   )  ( resid 5   and name H2    )  6.50 2.25  2.25

assign ( resid 5   and name H2    )  ( resid 6   and name H2    )  3.70 0.90  0.90
assign ( resid 17  and name H2    )  ( resid 18  and name H2    )  3.70 0.90  0.90

assign ( resid 1   and name H2'   )  ( resid 1   and name H6    )  2.50 0.30  0.30
assign ( resid 13  and name H2'   )  ( resid 13  and name H6    )  2.50 0.30  0.30
assign ( resid 1   and name H2''  )  ( resid 2   and name H8    )  2.93 0.30  0.30
assign ( resid 13  and name H2''  )  ( resid 14  and name H8    )  2.93 0.30  0.30
assign ( resid 1   and name H2'   )  ( resid 2   and name H8    )  3.05 0.30  0.30
assign ( resid 13  and name H2'   )  ( resid 14  and name H8    )  3.05 0.30  0.30
assign ( resid 2   and name H2'   )  ( resid 2   and name H8    )  2.24 0.30  0.30
assign ( resid 14  and name H2'   )  ( resid 14  and name H8    )  2.24 0.30  0.30
assign ( resid 2   and name H2'   )  ( resid 3   and name H6    )  3.50 0.45  0.45
assign ( resid 14  and name H2'   )  ( resid 15  and name H6    )  3.50 0.45  0.45
assign ( resid 2   and name H2''  )  ( resid 3   and name H6    )  2.93 0.45  0.45
assign ( resid 14  and name H2''  )  ( resid 15  and name H6    )  2.93 0.45  0.45
assign ( resid 3   and name H2'   )  ( resid 3   and name H6    )  2.35 0.30  0.30
assign ( resid 15  and name H2'   )  ( resid 15  and name H6    )  2.35 0.30  0.30
assign ( resid 3   and name H2''  )  ( resid 4   and name H8    )  2.92 0.45  0.45
assign ( resid 15  and name H2''  )  ( resid 16  and name H8    )  2.92 0.45  0.45
assign ( resid 3   and name H2'   )  ( resid 4   and name H8    )  3.05 0.45  0.45
assign ( resid 15  and name H2'   )  ( resid 16  and name H8    )  3.05 0.45  0.45
assign ( resid 4   and name H2'   )  ( resid 4   and name H8    )  2.30 0.30  0.30
assign ( resid 16  and name H2'   )  ( resid 16  and name H8    )  2.30 0.30  0.30
assign ( resid 5   and name H2'   )  ( resid 5   and name H8    )  2.40 0.45  0.45
assign ( resid 17  and name H2'   )  ( resid 17  and name H8    )  2.40 0.45  0.45
assign ( resid 4   and name H2''  )  ( resid 5   and name H8    )  2.71 0.45  0.45
assign ( resid 16  and name H2''  )  ( resid 17  and name H8    )  2.71 0.45  0.45
assign ( resid 5   and name H2''  )  ( resid 6   and name H8    )  3.40 1.35  1.35
assign ( resid 17  and name H2''  )  ( resid 18  and name H8    )  3.40 1.35  1.35
assign ( resid 6   and name H2'   )  ( resid 6   and name H8    )  2.40 0.30  0.38
assign ( resid 18  and name H2'   )  ( resid 18  and name H8    )  2.40 0.30  0.38
assign ( resid 6   and name H2''  )  ( resid 7   and name H6    )  2.50 0.30  0.30
assign ( resid 18  and name H2''  )  ( resid 19  and name H6    )  2.50 0.30  0.30
!assign ( resid 6   and name H2'   )  ( resid 7   and name H6    )  3.60 1.35  1.35 !ovl with 7-2''
!assign ( resid 18  and name H2'   )  ( resid 19  and name H6    )  3.60 1.35  1.35
assign ( resid 7   and name H2'   )  ( resid 7   and name H6    )  2.36 0.30  0.30
assign ( resid 19  and name H2'   )  ( resid 19  and name H6    )  2.36 0.30  0.30
!assign ( resid 7   and name H2''  )  ( resid 8   and name H6    )  2.70 1.35  1.35
!assign ( resid 19  and name H2''  )  ( resid 20  and name H6    )  2.70 1.35  1.35 !ovl with 8-2''
!assign ( resid 7   and name H2'   )  ( resid 8   and name H6    )  2.90 0.45  0.45
!assign ( resid 19  and name H2'   )  ( resid 20  and name H6    )  2.90 0.45  0.45
assign ( resid 8   and name H2'   )  ( resid 8   and name H6    )  2.28 0.30  0.30
assign ( resid 20  and name H2'   )  ( resid 20  and name H6    )  2.28 0.30  0.30
assign ( resid 8   and name H2''  )  ( resid 9   and name H6    )  2.68 0.38  0.38
assign ( resid 20  and name H2''  )  ( resid 21  and name H6    )  2.68 0.38  0.38
assign ( resid 8   and name H2'   )  ( resid 9   and name H6    )  3.40 0.60  0.60
assign ( resid 20  and name H2'   )  ( resid 21  and name H6    )  3.40 0.60  0.60
assign ( resid 9   and name H2'   )  ( resid 9   and name H6    )  2.33 0.30  0.30
assign ( resid 21  and name H2'   )  ( resid 21  and name H6    )  2.33 0.30  0.30
assign ( resid 9   and name H2''  )  ( resid 10  and name H8    )  2.92 0.45  0.45
assign ( resid 21  and name H2''  )  ( resid 22  and name H8    )  2.92 0.45  0.45
assign ( resid 9   and name H2'   )  ( resid 10  and name H8    )  3.20 0.45  0.45
assign ( resid 21  and name H2'   )  ( resid 22  and name H8    )  3.20 0.45  0.45
assign ( resid 10  and name H2'   )  ( resid 10  and name H8    )  2.28 0.30  0.30
assign ( resid 22  and name H2'   )  ( resid 22  and name H8    )  2.28 0.30  0.30
assign ( resid 10  and name H2''  )  ( resid 11  and name H6    )  2.80 0.45  0.45
assign ( resid 22  and name H2''  )  ( resid 23  and name H6    )  2.80 0.45  0.45
assign ( resid 10  and name H2'   )  ( resid 11  and name H6    )  3.50 0.75  0.75
assign ( resid 22  and name H2'   )  ( resid 23  and name H6    )  3.50 0.75  0.75
assign ( resid 11  and name H2'   )  ( resid 11  and name H6    )  2.33 0.30  0.30
assign ( resid 23  and name H2'   )  ( resid 23  and name H6    )  2.33 0.30  0.30
assign ( resid 11  and name H2''  )  ( resid 12  and name H8    )  2.90 0.38  0.38
assign ( resid 23  and name H2''  )  ( resid 24  and name H8    )  2.90 0.38  0.38
assign ( resid 11  and name H2'   )  ( resid 12  and name H8    )  3.12 0.45  0.45
assign ( resid 23  and name H2'   )  ( resid 24  and name H8    )  3.12 0.45  0.45
assign ( resid 12  and name H2'   )  ( resid 12  and name H8    )  2.30 0.30  0.30
assign ( resid 24  and name H2'   )  ( resid 24  and name H8    )  2.30 0.30  0.30

assign ( resid 1   and name H4'   )  ( resid 1   and name H1'   )  3.03 0.30  0.30
assign ( resid 13  and name H4'   )  ( resid 13  and name H1'   )  3.03 0.30  0.30
assign ( resid 2   and name H4'   )  ( resid 2   and name H1'   )  2.95 0.30  0.30
assign ( resid 14  and name H4'   )  ( resid 14  and name H1'   )  2.95 0.30  0.30
assign ( resid 3   and name H4'   )  ( resid 3   and name H1'   )  2.81 0.30  0.30
assign ( resid 15  and name H4'   )  ( resid 15  and name H1'   )  2.81 0.30  0.30
assign ( resid 4   and name H4'   )  ( resid 4   and name H1'   )  3.09 0.30  0.30
assign ( resid 16  and name H4'   )  ( resid 16  and name H1'   )  3.09 0.30  0.30
assign ( resid 5   and name H4'   )  ( resid 5   and name H1'   )  2.95 0.30  0.30
assign ( resid 17  and name H4'   )  ( resid 17  and name H1'   )  2.95 0.30  0.30
assign ( resid 6   and name H4'   )  ( resid 6   and name H1'   )  2.90 0.30  0.30
assign ( resid 18  and name H4'   )  ( resid 18  and name H1'   )  2.90 0.30  0.30
assign ( resid 7   and name H4'   )  ( resid 7   and name H1'   )  3.00 0.45  0.45 !part ovl H5'
assign ( resid 19  and name H4'   )  ( resid 19  and name H1'   )  3.00 0.45  0.45
assign ( resid 8   and name H4'   )  ( resid 8   and name H1'   )  2.90 0.45  0.45
assign ( resid 20  and name H4'   )  ( resid 20  and name H1'   )  2.90 0.45  0.45
assign ( resid 9   and name H4'   )  ( resid 9   and name H1'   )  2.86 0.30  0.30
assign ( resid 21  and name H4'   )  ( resid 21  and name H1'   )  2.86 0.30  0.30
assign ( resid 10  and name H4'   )  ( resid 10  and name H1'   )  3.10 0.30  0.30
assign ( resid 22  and name H4'   )  ( resid 22  and name H1'   )  3.10 0.30  0.30
assign ( resid 11  and name H4'   )  ( resid 11  and name H1'   )  2.86 0.40  0.40
assign ( resid 23  and name H4'   )  ( resid 23  and name H1'   )  2.86 0.40  0.40
assign ( resid 12  and name H4'   )  ( resid 12  and name H1'   )  2.90 0.30  0.30
assign ( resid 24  and name H4'   )  ( resid 24  and name H1'   )  2.90 0.30  0.30

assign ( resid 2   and name H2''  )  ( resid 3   and name H5    )  3.00 0.45  0.45
assign ( resid 14  and name H2''  )  ( resid 15  and name H5    )  3.00 0.45  0.45
assign ( resid 2   and name H2'   )  ( resid 3   and name H5    )  3.70 0.60  0.60
assign ( resid 14  and name H2'   )  ( resid 15  and name H5    )  3.70 0.60  0.60
assign ( resid 8   and name H2''  )  ( resid 9   and name H5    )  3.20 0.45  0.45
assign ( resid 20  and name H2''  )  ( resid 21  and name H5    )  3.20 0.45  0.45
assign ( resid 8   and name H2'   )  ( resid 9   and name H5    )  3.30 0.45  0.45
assign ( resid 20  and name H2'   )  ( resid 21  and name H5    )  3.30 0.45  0.45
assign ( resid 10  and name H2''  )  ( resid 11  and name H5    )  3.10 0.60  0.60
assign ( resid 22  and name H2''  )  ( resid 23  and name H5    )  3.10 0.60  0.60

assign ( resid 1   and name H1'   )  ( resid 2   and name H5'   )  3.30 0.6  0.6
assign ( resid 13  and name H1'   )  ( resid 14  and name H5'   )  3.30 0.6  0.6
!assign ( resid 2   and name H1'   )  ( resid 3   and name H5'   )  2.90 0.5  0.5
!assign ( resid 14  and name H1'   )  ( resid 15  and name H5'   )  2.90 0.5  0.5
assign ( resid 3   and name H1'   )  ( resid 4   and name H5'   )  3.52 0.6  0.6
assign ( resid 15  and name H1'   )  ( resid 16  and name H5'   )  3.52 0.6  0.6
assign ( resid 4   and name H1'   )  ( resid 5   and name H5'   )  3.12 0.6  0.6
assign ( resid 16  and name H1'   )  ( resid 17  and name H5'   )  3.12 0.6  0.6
assign ( resid 5   and name H1'   )  ( resid 6   and name H5'   )  3.02 0.6  0.6
assign ( resid 17  and name H1'   )  ( resid 18  and name H5'   )  3.02 0.6  0.6
assign ( resid 6   and name H1'   )  ( resid 7   and name H5'   )  2.90 0.6  0.6
assign ( resid 18  and name H1'   )  ( resid 19  and name H5'   )  2.90 0.6  0.6
assign ( resid 8   and name H1'   )  ( resid 9   and name H5'   )  3.02 0.6  0.6
assign ( resid 20  and name H1'   )  ( resid 21  and name H5'   )  3.02 0.6  0.6
assign ( resid 9   and name H1'   )  ( resid 10  and name H5'   )  3.43 0.6  0.6
assign ( resid 21  and name H1'   )  ( resid 22  and name H5'   )  3.43 0.6  0.6
assign ( resid 10  and name H1'   )  ( resid 11  and name H5'   )  3.13 0.6  0.6
assign ( resid 22  and name H1'   )  ( resid 23  and name H5'   )  3.13 0.6  0.6
!assign ( resid 11  and name H1'   )  ( resid 12  and name H5'   )  3.12 0.4  0.4
!assign ( resid 23  and name H1'   )  ( resid 24  and name H5'   )  3.12 0.4  0.4


assign ( resid 10  and name H8    )  ( resid 11  and name H5    )  3.20 0.6  0.6
assign ( resid 22  and name H8    )  ( resid 23  and name H5    )  3.20 0.6  0.6
assign ( resid 8   and name H6    )  ( resid 9   and name H5    )  3.30 0.6  0.6
assign ( resid 20  and name H6    )  ( resid 21  and name H5    )  3.30 0.6  0.6

!methyls

assign ( resid 6   and name H8    )  ( resid 7   and name H5#   )  2.57 0.3  0.3
assign ( resid 18  and name H8    )  ( resid 19  and name H5#   )  2.57 0.3  0.3
assign ( resid 7   and name H6    )  ( resid 8   and name H5#   )  2.59 0.3  0.3
assign ( resid 19  and name H6    )  ( resid 20  and name H5#   )  2.59 0.3  0.3
!assign ( resid 6   and name H3'   )  ( resid 7   and name H5#   )  3.24 0.45  0.45
!assign ( resid 18  and name H3'   )  ( resid 19  and name H5#   )  3.24 0.45  0.45
!assign ( resid 7   and name H3'   )  ( resid 8   and name H5#   )  3.00 0.38 0.38
!assign ( resid 19  and name H3'   )  ( resid 20  and name H5#   )  3.00 0.38 0.38
assign ( resid 6   and name H2''  )  ( resid 7   and name H5#   )  2.63 0.3  0.3
assign ( resid 18  and name H2''  )  ( resid 19  and name H5#   )  2.63 0.3  0.3
assign ( resid 6   and name H2'   )  ( resid 7   and name H5#   )  2.62 0.3  0.3
assign ( resid 18  and name H2'   )  ( resid 19  and name H5#   )  2.62 0.3  0.3
assign ( resid 7   and name H2''  )  ( resid 8   and name H5#   )  2.63 0.3  0.3
assign ( resid 19  and name H2''  )  ( resid 20  and name H5#   )  2.63 0.3  0.3
assign ( resid 7   and name H2'   )  ( resid 8   and name H5#   )  2.53 0.3  0.3
assign ( resid 19  and name H2'   )  ( resid 20  and name H5#   )  2.53 0.3  0.3
assign ( resid 7   and name H5#   )  ( resid 8   and name H5#   )  2.60 0.6  0.6
assign ( resid 19  and name H5#   )  ( resid 20  and name H5#   )  2.60 0.6  0.6

!addition
assign ( resid 8 and name H6 ) ( ( resid 7 and name H2'' ) or ( resid 8 and name H2'' ) )  2.4 0.45 0.45
assign ( resid 20 and name H6 ) ( ( resid 19 and name H2'' ) or ( resid 20 and name H2'' ) )  2.4 0.45 0.45




!
!  H-bond
!  ----------------------------------

assign ( resid 1   and name N4  ) ( resid 24  and name O6   ) 2.90 0.25 0.25
assign ( resid 1   and name N3   ) ( resid 24  and name H1   ) 1.85 0.10 0.10
assign ( resid 1   and name O2   ) ( resid 24  and name N2  ) 2.90 0.25 0.25

assign ( resid 2   and name O6   ) ( resid 23  and name N4  ) 2.90 0.25 0.25
assign ( resid 2   and name H1   ) ( resid 23  and name N3   ) 1.85 0.10 0.10
assign ( resid 2   and name N2   ) ( resid 23  and name O2   ) 2.90 0.25 0.25

assign ( resid 3   and name N4   ) ( resid 22  and name O6   ) 2.90 0.25 0.25
assign ( resid 3   and name N3   ) ( resid 22  and name H1   ) 1.85 0.10 0.10
assign ( resid 3   and name O2   ) ( resid 22  and name N2   ) 2.90 0.25 0.25

assign ( resid 4   and name O6   ) ( resid 21  and name N4   ) 2.90 0.25 0.25
assign ( resid 4   and name H1   ) ( resid 21  and name N3   ) 1.85 0.10 0.10
assign ( resid 4   and name N2   ) ( resid 21  and name O2   ) 2.90 0.25 0.25

assign ( resid 5   and name N6   ) ( resid 20  and name O4   ) 2.90 0.25 0.25
assign ( resid 5   and name N1   ) ( resid 20  and name H3   ) 1.85 0.10 0.10

assign ( resid 6   and name N6   ) ( resid 19  and name O4   ) 2.90 0.25 0.25
assign ( resid 6   and name N1   ) ( resid 19  and name H3   ) 1.85 0.10 0.10

assign ( resid 7   and name O4   ) ( resid 18  and name N6   ) 2.90 0.25 0.25
assign ( resid 7   and name H3   ) ( resid 18  and name N1   ) 1.85 0.10 0.10

assign ( resid 8   and name O4   ) ( resid 17  and name N6   ) 2.90 0.25 0.25
assign ( resid 8   and name H3   ) ( resid 17  and name N1   ) 1.85 0.10 0.10

assign ( resid 9   and name N4   ) ( resid 16  and name O6   ) 2.90 0.25 0.25
assign ( resid 9   and name N3   ) ( resid 16  and name H1   ) 1.85 0.10 0.10
assign ( resid 9   and name O2   ) ( resid 16  and name N2   ) 2.90 0.25 0.25

assign ( resid 10  and name O6   ) ( resid 15  and name N4   ) 2.90 0.25 0.25
assign ( resid 10  and name H1   ) ( resid 15  and name N3   ) 1.85 0.10 0.10
assign ( resid 10  and name N2   ) ( resid 15  and name O2   ) 2.90 0.25 0.25

assign ( resid 11  and name N4   ) ( resid 14  and name O6   ) 2.90 0.25 0.25
assign ( resid 11  and name N3   ) ( resid 14  and name H1   ) 1.85 0.10 0.10
assign ( resid 11  and name O2   ) ( resid 14  and name N2   ) 2.90 0.25 0.25

assign ( resid 12  and name O6   ) ( resid 13  and name N4   ) 2.90 0.25 0.25
assign ( resid 12  and name H1   ) ( resid 13  and name N3   ) 1.85 0.10 0.10
assign ( resid 12  and name N2   ) ( resid 13  and name O2   ) 2.90 0.25 0.25


!Ideal dihedral values for a B-DNA
!
!
!
!Alpha dihedral
!

assign ( resid 1    and name O3' )
       ( resid 2    and name P   )
       ( resid 2    and name O5' )
       ( resid 2    and name C5' )   1  -61.0  30.0   2

assign ( resid 2    and name O3' )
       ( resid 3    and name P   )
       ( resid 3    and name O5' )
       ( resid 3    and name C5' )   1  -61.0  30.0   2

assign ( resid 3    and name O3' )
       ( resid 4    and name P   )
       ( resid 4    and name O5' )
       ( resid 4    and name C5' )   1  -61.0  30.0   2

assign ( resid 4    and name O3' )
       ( resid 5    and name P   )
       ( resid 5    and name O5' )
       ( resid 5    and name C5' )   1  -61.0  30.0   2

assign ( resid 5    and name O3' )
       ( resid 6    and name P   )
       ( resid 6    and name O5' )
       ( resid 6    and name C5' )   1  -61.0  30.0   2

assign ( resid 6    and name O3' )
       ( resid 7    and name P   )
       ( resid 7    and name O5' )
       ( resid 7    and name C5' )   1  -61.0  30.0   2

assign ( resid 7    and name O3' )
       ( resid 8    and name P   )
       ( resid 8    and name O5' )
       ( resid 8    and name C5' )   1  -61.0  30.0   2

assign ( resid 8    and name O3' )
       ( resid 9    and name P   )
       ( resid 9    and name O5' )
       ( resid 9    and name C5' )   1  -61.0  30.0   2

assign ( resid 9    and name O3' )
       ( resid 10   and name P   )
       ( resid 10   and name O5' )
       ( resid 10   and name C5' )   1  -61.0  30.0   2

assign ( resid 10   and name O3' )
       ( resid 11   and name P   )
       ( resid 11   and name O5' )
       ( resid 11   and name C5' )   1  -61.0  30.0   2

assign ( resid 11   and name O3' )
       ( resid 12   and name P   )
       ( resid 12   and name O5' )
       ( resid 12   and name C5' )   1  -61.0  30.0   2

assign ( resid 13   and name O3' )
       ( resid 14   and name P   )
       ( resid 14   and name O5' )
       ( resid 14   and name C5' )   1  -61.0  30.0   2

assign ( resid 14   and name O3' )
       ( resid 15   and name P   )
       ( resid 15   and name O5' )
       ( resid 15   and name C5' )   1  -61.0  30.0   2

assign ( resid 15   and name O3' )
       ( resid 16   and name P   )
       ( resid 16   and name O5' )
       ( resid 16   and name C5' )   1  -61.0  30.0   2

assign ( resid 16   and name O3' )
       ( resid 17   and name P   )
       ( resid 17   and name O5' )
       ( resid 17   and name C5' )   1  -61.0  30.0   2

assign ( resid 17   and name O3' )
       ( resid 18   and name P   )
       ( resid 18   and name O5' )
       ( resid 18   and name C5' )   1  -61.0  30.0   2

assign ( resid 18   and name O3' )
       ( resid 19   and name P   )
       ( resid 19   and name O5' )
       ( resid 19   and name C5' )   1  -61.0  30.0   2

assign ( resid 19   and name O3' )
       ( resid 20   and name P   )
       ( resid 20   and name O5' )
       ( resid 20   and name C5' )   1  -61.0  30.0   2

assign ( resid 20   and name O3' )
       ( resid 21   and name P   )
       ( resid 21   and name O5' )
       ( resid 21   and name C5' )   1  -61.0  30.0   2

assign ( resid 21   and name O3' )
       ( resid 22   and name P   )
       ( resid 22   and name O5' )
       ( resid 22   and name C5' )   1  -61.0  30.0   2

assign ( resid 22   and name O3' )
       ( resid 23   and name P   )
       ( resid 23   and name O5' )
       ( resid 23   and name C5' )   1  -61.0  30.0   2

assign ( resid 23   and name O3' )
       ( resid 24   and name P   )
       ( resid 24   and name O5' )
       ( resid 24   and name C5' )   1  -61.0  30.0   2


!
!Beta dihedral
!

assign ( resid 2    and name P   )
       ( resid 2    and name O5' )
       ( resid 2    and name C5' )
       ( resid 2    and name C4' )   1  180.0  30.0   2

assign ( resid 3    and name P   )
       ( resid 3    and name O5' )
       ( resid 3    and name C5' )
       ( resid 3    and name C4' )   1  180.0  30.0   2

assign ( resid 4    and name P   )
       ( resid 4    and name O5' )
       ( resid 4    and name C5' )
       ( resid 4    and name C4' )   1  180.0  30.0   2

assign ( resid 5    and name P   )
       ( resid 5    and name O5' )
       ( resid 5    and name C5' )
       ( resid 5    and name C4' )   1  180.0  30.0   2

assign ( resid 6    and name P   )
       ( resid 6    and name O5' )
       ( resid 6    and name C5' )
       ( resid 6    and name C4' )   1  180.0  30.0   2

assign ( resid 7    and name P   )
       ( resid 7    and name O5' )
       ( resid 7    and name C5' )
       ( resid 7    and name C4' )   1  180.0  30.0   2

assign ( resid 8    and name P   )
       ( resid 8    and name O5' )
       ( resid 8    and name C5' )
       ( resid 8    and name C4' )   1  180.0  30.0   2

assign ( resid 9    and name P   )
       ( resid 9    and name O5' )
       ( resid 9    and name C5' )
       ( resid 9    and name C4' )   1  180.0  30.0   2

assign ( resid 10   and name P   )
       ( resid 10   and name O5' )
       ( resid 10   and name C5' )
       ( resid 10   and name C4' )   1  180.0  30.0   2

assign ( resid 11   and name P   )
       ( resid 11   and name O5' )
       ( resid 11   and name C5' )
       ( resid 11   and name C4' )   1  180.0  30.0   2

assign ( resid 12   and name P   )
       ( resid 12   and name O5' )
       ( resid 12   and name C5' )
       ( resid 12   and name C4' )   1  180.0  30.0   2

assign ( resid 14   and name P   )
       ( resid 14   and name O5' )
       ( resid 14   and name C5' )
       ( resid 14   and name C4' )   1  180.0  30.0   2

assign ( resid 15   and name P   )
       ( resid 15   and name O5' )
       ( resid 15   and name C5' )
       ( resid 15   and name C4' )   1  180.0  30.0   2

assign ( resid 16   and name P   )
       ( resid 16   and name O5' )
       ( resid 16   and name C5' )
       ( resid 16   and name C4' )   1  180.0  30.0   2

assign ( resid 17   and name P   )
       ( resid 17   and name O5' )
       ( resid 17   and name C5' )
       ( resid 17   and name C4' )   1  180.0  30.0   2

assign ( resid 18   and name P   )
       ( resid 18   and name O5' )
       ( resid 18   and name C5' )
       ( resid 18   and name C4' )   1  180.0  30.0   2

assign ( resid 19   and name P   )
       ( resid 19   and name O5' )
       ( resid 19   and name C5' )
       ( resid 19   and name C4' )   1  180.0  30.0   2

assign ( resid 20   and name P   )
       ( resid 20   and name O5' )
       ( resid 20   and name C5' )
       ( resid 20   and name C4' )   1  180.0  30.0   2

assign ( resid 21   and name P   )
       ( resid 21   and name O5' )
       ( resid 21   and name C5' )
       ( resid 21   and name C4' )   1  180.0  30.0   2

assign ( resid 22   and name P   )
       ( resid 22   and name O5' )
       ( resid 22   and name C5' )
       ( resid 22   and name C4' )   1  180.0  30.0   2

assign ( resid 23   and name P   )
       ( resid 23   and name O5' )
       ( resid 23   and name C5' )
       ( resid 23   and name C4' )   1  180.0  30.0   2

assign ( resid 24   and name P   )
       ( resid 24   and name O5' )
       ( resid 24   and name C5' )
       ( resid 24   and name C4' )   1  180.0  30.0   2

!
!Gamma dihedrals
!


assign ( resid 1    and name O5' )
       ( resid 1    and name C5' )
       ( resid 1    and name C4' )
       ( resid 1    and name C3' )   1  57.0  30.0   2

assign ( resid 2    and name O5' )
       ( resid 2    and name C5' )
       ( resid 2    and name C4' )
       ( resid 2    and name C3' )   1  57.0  30.0   2

assign ( resid 3    and name O5' )
       ( resid 3    and name C5' )
       ( resid 3    and name C4' )
       ( resid 3    and name C3' )   1  57.0  30.0   2

assign ( resid 4    and name O5' )
       ( resid 4    and name C5' )
       ( resid 4    and name C4' )
       ( resid 4    and name C3' )   1  57.0  30.0   2

assign ( resid 5    and name O5' )
       ( resid 5    and name C5' )
       ( resid 5    and name C4' )
       ( resid 5    and name C3' )   1  57.0  30.0   2

assign ( resid 6    and name O5' )
       ( resid 6    and name C5' )
       ( resid 6    and name C4' )
       ( resid 6    and name C3' )   1  57.0  30.0   2

assign ( resid 7    and name O5' )
       ( resid 7    and name C5' )
       ( resid 7    and name C4' )
       ( resid 7    and name C3' )   1  57.0  30.0   2

assign ( resid 8    and name O5' )
       ( resid 8    and name C5' )
       ( resid 8    and name C4' )
       ( resid 8    and name C3' )   1  57.0  30.0   2

assign ( resid 9    and name O5' )
       ( resid 9    and name C5' )
       ( resid 9    and name C4' )
       ( resid 9    and name C3' )   1  57.0  30.0   2

assign ( resid 10   and name O5' )
       ( resid 10   and name C5' )
       ( resid 10   and name C4' )
       ( resid 10   and name C3' )   1  57.0  30.0   2

assign ( resid 11   and name O5' )
       ( resid 11   and name C5' )
       ( resid 11   and name C4' )
       ( resid 11   and name C3' )   1  57.0  30.0   2

assign ( resid 12   and name O5' )
       ( resid 12   and name C5' )
       ( resid 12   and name C4' )
       ( resid 12   and name C3' )   1  57.0  30.0   2

assign ( resid 13   and name O5' )
       ( resid 13   and name C5' )
       ( resid 13   and name C4' )
       ( resid 13   and name C3' )   1  57.0  30.0   2

assign ( resid 14   and name O5' )
       ( resid 14   and name C5' )
       ( resid 14   and name C4' )
       ( resid 14   and name C3' )   1  57.0  30.0   2

assign ( resid 15   and name O5' )
       ( resid 15   and name C5' )
       ( resid 15   and name C4' )
       ( resid 15   and name C3' )   1  57.0  30.0   2

assign ( resid 16   and name O5' )
       ( resid 16   and name C5' )
       ( resid 16   and name C4' )
       ( resid 16   and name C3' )   1  57.0  30.0   2

assign ( resid 17   and name O5' )
       ( resid 17   and name C5' )
       ( resid 17   and name C4' )
       ( resid 17   and name C3' )   1  57.0  30.0   2

assign ( resid 18   and name O5' )
       ( resid 18   and name C5' )
       ( resid 18   and name C4' )
       ( resid 18   and name C3' )   1  57.0  30.0   2

assign ( resid 19   and name O5' )
       ( resid 19   and name C5' )
       ( resid 19   and name C4' )
       ( resid 19   and name C3' )   1  57.0  30.0   2

assign ( resid 20   and name O5' )
       ( resid 20   and name C5' )
       ( resid 20   and name C4' )
       ( resid 20   and name C3' )   1  57.0  30.0   2

assign ( resid 21   and name O5' )
       ( resid 21   and name C5' )
       ( resid 21   and name C4' )
       ( resid 21   and name C3' )   1  57.0  30.0   2

assign ( resid 22   and name O5' )
       ( resid 22   and name C5' )
       ( resid 22   and name C4' )
       ( resid 22   and name C3' )   1  57.0  30.0   2

assign ( resid 23   and name O5' )
       ( resid 23   and name C5' )
       ( resid 23   and name C4' )
       ( resid 23   and name C3' )   1  57.0  30.0   2

assign ( resid 24   and name O5' )
       ( resid 24   and name C5' )
       ( resid 24   and name C4' )
       ( resid 24   and name C3' )   1  57.0  30.0   2

!
!Delta dihedrals
! Use Bax & Lerner's JMR 79, 429-438 values.


assign ( resid 1    and name C5' )
       ( resid 1    and name C4' )
       ( resid 1    and name C3' )
       ( resid 1    and name O3' )   1  122.5  20.0   2

assign ( resid 2    and name C5' )
       ( resid 2    and name C4' )
       ( resid 2    and name C3' )
       ( resid 2    and name O3' )   1  121.8  20.0   2

assign ( resid 3    and name C5' )
       ( resid 3    and name C4' )
       ( resid 3    and name C3' )
       ( resid 3    and name O3' )   1  124.4  20.0   2

assign ( resid 4    and name C5' )
       ( resid 4    and name C4' )
       ( resid 4    and name C3' )
       ( resid 4    and name O3' )   1  128.4  20.0   2

assign ( resid 5    and name C5' )
       ( resid 5    and name C4' )
       ( resid 5    and name C3' )
       ( resid 5    and name O3' )   1  126.7  20.0   2

assign ( resid 6    and name C5' )
       ( resid 6    and name C4' )
       ( resid 6    and name C3' )
       ( resid 6    and name O3' )   1  122.7  20.0   2

assign ( resid 7    and name C5' )
       ( resid 7    and name C4' )
       ( resid 7    and name C3' )
       ( resid 7    and name O3' )   1  110.7  20.0   2

assign ( resid 8    and name C5' )
       ( resid 8    and name C4' )
       ( resid 8    and name C3' )
       ( resid 8    and name O3' )   1  121.1  20.0   2

assign ( resid 9    and name C5' )
       ( resid 9    and name C4' )
       ( resid 9    and name C3' )
       ( resid 9    and name O3' )   1  120.3  20.0   2

assign ( resid 10   and name C5' )
       ( resid 10   and name C4' )
       ( resid 10   and name C3' )
       ( resid 10   and name O3' )   1  127.8  20.0   2

assign ( resid 11   and name C5' )
       ( resid 11   and name C4' )
       ( resid 11   and name C3' )
       ( resid 11   and name O3' )   1  117.5  20.0   2

assign ( resid 12   and name C5' )
       ( resid 12   and name C4' )
       ( resid 12   and name C3' )
       ( resid 12   and name O3' )   1  123.3  20.0   2

assign ( resid 13   and name C5' )
       ( resid 13   and name C4' )
       ( resid 13   and name C3' )
       ( resid 13   and name O3' )   1  122.5  20.0   2

assign ( resid 14   and name C5' )
       ( resid 14   and name C4' )
       ( resid 14   and name C3' )
       ( resid 14   and name O3' )   1  121.8  20.0   2

assign ( resid 15   and name C5' )
       ( resid 15   and name C4' )
       ( resid 15   and name C3' )
       ( resid 15   and name O3' )   1  124.4  20.0   2

assign ( resid 16   and name C5' )
       ( resid 16   and name C4' )
       ( resid 16   and name C3' )
       ( resid 16   and name O3' )   1  128.4  20.0   2

assign ( resid 17   and name C5' )
       ( resid 17   and name C4' )
       ( resid 17   and name C3' )
       ( resid 17   and name O3' )   1  126.7  20.0   2

assign ( resid 18   and name C5' )
       ( resid 18   and name C4' )
       ( resid 18   and name C3' )
       ( resid 18   and name O3' )   1  122.7  20.0   2

assign ( resid 19   and name C5' )
       ( resid 19   and name C4' )
       ( resid 19   and name C3' )
       ( resid 19   and name O3' )   1  110.7  20.0   2

assign ( resid 20   and name C5' )
       ( resid 20   and name C4' )
       ( resid 20   and name C3' )
       ( resid 20   and name O3' )   1  121.1  20.0   2

assign ( resid 21   and name C5' )
       ( resid 21   and name C4' )
       ( resid 21   and name C3' )
       ( resid 21   and name O3' )   1  120.3  20.0   2

assign ( resid 22   and name C5' )
       ( resid 22   and name C4' )
       ( resid 22   and name C3' )
       ( resid 22   and name O3' )   1  127.8  20.0   2

assign ( resid 23   and name C5' )
       ( resid 23   and name C4' )
       ( resid 23   and name C3' )
       ( resid 23   and name O3' )   1  117.5  20.0   2

assign ( resid 24   and name C5' )
       ( resid 24   and name C4' )
       ( resid 24   and name C3' )
       ( resid 24   and name O3' )   1  123.3  20.0   2

!
!Epsilon dihedrals
!
! Use Sklenar and Bax paper (JACS nov 25, 1987)


!assign ( resid 1    and name C4' )
!       ( resid 1    and name C3' )
!       ( resid 1    and name O3' )
!       ( resid 2    and name P   )   1  -158.0  20.0   2

assign ( resid 2    and name C4' )
       ( resid 2    and name C3' )
       ( resid 2    and name O3' )
       ( resid 3    and name P   )   1  -172.0  20.0   2

assign ( resid 3    and name C4' )
       ( resid 3    and name C3' )
       ( resid 3    and name O3' )
       ( resid 4    and name P   )   1  -161.0  20.0   2

assign ( resid 4    and name C4' )
       ( resid 4    and name C3' )
       ( resid 4    and name O3' )
       ( resid 5    and name P   )   1  -170.0  20.0   2

assign ( resid 5    and name C4' )
       ( resid 5    and name C3' )
       ( resid 5    and name O3' )
       ( resid 6    and name P   )   1  -178.0  20.0   2

assign ( resid 6    and name C4' )
       ( resid 6    and name C3' )
       ( resid 6    and name O3' )
       ( resid 7    and name P   )   1  -181.0  20.0   2

assign ( resid 7    and name C4' )
       ( resid 7    and name C3' )
       ( resid 7    and name O3' )
       ( resid 8    and name P   )   1  -181.0  20.0   2

assign ( resid 8    and name C4' )
       ( resid 8    and name C3' )
       ( resid 8    and name O3' )
       ( resid 9    and name P   )   1  -177.0  20.0   2

assign ( resid 9    and name C4' )
       ( resid 9    and name C3' )
       ( resid 9    and name O3' )
       ( resid 10   and name P   )   1  -163.0  20.0   2

assign ( resid 10   and name C4' )
       ( resid 10   and name C3' )
       ( resid 10   and name O3' )
       ( resid 11   and name P   )   1  -170.0  20.0   2

assign ( resid 11   and name C4' )
       ( resid 11   and name C3' )
       ( resid 11   and name O3' )
       ( resid 12   and name P   )   1  -164.0  20.0   2

!assign ( resid 13   and name C4' )
!       ( resid 13   and name C3' )
!       ( resid 13   and name O3' )
!       ( resid 14   and name P   )   1  -158.0  20.0   2

assign ( resid 14   and name C4' )
       ( resid 14   and name C3' )
       ( resid 14   and name O3' )
       ( resid 15   and name P   )   1  -172.0  20.0   2

assign ( resid 15   and name C4' )
       ( resid 15   and name C3' )
       ( resid 15   and name O3' )
       ( resid 16   and name P   )   1  -161.0  20.0   2

assign ( resid 16   and name C4' )
       ( resid 16   and name C3' )
       ( resid 16   and name O3' )
       ( resid 17   and name P   )   1  -170.0  20.0   2

assign ( resid 17   and name C4' )
       ( resid 17   and name C3' )
       ( resid 17   and name O3' )
       ( resid 18   and name P   )   1  -178.0  20.0   2

assign ( resid 18   and name C4' )
       ( resid 18   and name C3' )
       ( resid 18   and name O3' )
       ( resid 19   and name P   )   1  -181.0  20.0   2

assign ( resid 19   and name C4' )
       ( resid 19   and name C3' )
       ( resid 19   and name O3' )
       ( resid 20   and name P   )   1  -181.0  20.0   2

assign ( resid 20   and name C4' )
       ( resid 20   and name C3' )
       ( resid 20   and name O3' )
       ( resid 21   and name P   )   1  -177.0  20.0   2

assign ( resid 21   and name C4' )
       ( resid 21   and name C3' )
       ( resid 21   and name O3' )
       ( resid 22   and name P   )   1  -163.0  20.0   2

assign ( resid 22   and name C4' )
       ( resid 22   and name C3' )
       ( resid 22   and name O3' )
       ( resid 23   and name P   )   1  -170.0  20.0   2

assign ( resid 23   and name C4' )
       ( resid 23   and name C3' )
       ( resid 23   and name O3' )
       ( resid 24   and name P   )   1  -164.0  20.0   2

!
!Zeta dihedral
!


!assign ( resid 1    and name C3' )
!       ( resid 1    and name O3' )
!       ( resid 2    and name P   )
!       ( resid 2    and name O5' )   1  -91.0  30.0   2

assign ( resid 2    and name C3' )
       ( resid 2    and name O3' )
       ( resid 3    and name P   )
       ( resid 3    and name O5' )   1  -91.0  30.0   2

assign ( resid 3    and name C3' )
       ( resid 3    and name O3' )
       ( resid 4    and name P   )
       ( resid 4    and name O5' )   1  -91.0  30.0   2

assign ( resid 4    and name C3' )
       ( resid 4    and name O3' )
       ( resid 5    and name P   )
       ( resid 5    and name O5' )   1  -91.0  30.0   2

assign ( resid 5    and name C3' )
       ( resid 5    and name O3' )
       ( resid 6    and name P   )
       ( resid 6    and name O5' )   1  -91.0  30.0   2

assign ( resid 6    and name C3' )
       ( resid 6    and name O3' )
       ( resid 7    and name P   )
       ( resid 7    and name O5' )   1  -91.0  30.0   2

assign ( resid 7    and name C3' )
       ( resid 7    and name O3' )
       ( resid 8    and name P   )
       ( resid 8    and name O5' )   1  -91.0  30.0   2

assign ( resid 8    and name C3' )
       ( resid 8    and name O3' )
       ( resid 9    and name P   )
       ( resid 9    and name O5' )   1  -91.0  30.0   2

assign ( resid 9    and name C3' )
       ( resid 9    and name O3' )
       ( resid 10   and name P   )
       ( resid 10   and name O5' )   1  -91.0  30.0   2

assign ( resid 10   and name C3' )
       ( resid 10   and name O3' )
       ( resid 11   and name P   )
       ( resid 11   and name O5' )   1  -91.0  30.0   2

assign ( resid 11   and name C3' )
       ( resid 11   and name O3' )
       ( resid 12   and name P   )
       ( resid 12   and name O5' )   1  -91.0  30.0   2

!assign ( resid 13   and name C3' )
!       ( resid 13   and name O3' )
!       ( resid 14   and name P   )
!       ( resid 14   and name O5' )   1  -91.0  30.0   2

assign ( resid 14   and name C3' )
       ( resid 14   and name O3' )
       ( resid 15   and name P   )
       ( resid 15   and name O5' )   1  -91.0  30.0   2

assign ( resid 15   and name C3' )
       ( resid 15   and name O3' )
       ( resid 16   and name P   )
       ( resid 16   and name O5' )   1  -91.0  30.0   2

assign ( resid 16   and name C3' )
       ( resid 16   and name O3' )
       ( resid 17   and name P   )
       ( resid 17   and name O5' )   1  -91.0  30.0   2

assign ( resid 17   and name C3' )
       ( resid 17   and name O3' )
       ( resid 18   and name P   )
       ( resid 18   and name O5' )   1  -91.0  30.0   2

assign ( resid 18   and name C3' )
       ( resid 18   and name O3' )
       ( resid 19   and name P   )
       ( resid 19   and name O5' )   1  -91.0  30.0   2

assign ( resid 19   and name C3' )
       ( resid 19   and name O3' )
       ( resid 20   and name P   )
       ( resid 20   and name O5' )   1  -91.0  30.0   2

assign ( resid 20   and name C3' )
       ( resid 20   and name O3' )
       ( resid 21   and name P   )
       ( resid 21   and name O5' )   1  -91.0  30.0   2

assign ( resid 21   and name C3' )
       ( resid 21   and name O3' )
       ( resid 22   and name P   )
       ( resid 22   and name O5' )   1  -91.0  30.0   2

assign ( resid 22   and name C3' )
       ( resid 22   and name O3' )
       ( resid 23   and name P   )
       ( resid 23   and name O5' )   1  -91.0  30.0   2

assign ( resid 23   and name C3' )
       ( resid 23   and name O3' )
       ( resid 24   and name P   )
       ( resid 24   and name O5' )   1  -91.0  30.0   2

!
!Chi dihedral
!

assign ( resid 1    and name O4' )
       ( resid 1    and name C1' )
       ( resid 1    and name N1  )
       ( resid 1    and name C2  )   1  -119.0  30.0   2

assign ( resid 2    and name O4' )
       ( resid 2    and name C1' )
       ( resid 2    and name N9  )
       ( resid 2    and name C4  )   1  -119.0  30.0   2

assign ( resid 3    and name O4' )
       ( resid 3    and name C1' )
       ( resid 3    and name N1  )
       ( resid 3    and name C2  )   1  -119.0  30.0   2

assign ( resid 4    and name O4' )
       ( resid 4    and name C1' )
       ( resid 4    and name N9  )
       ( resid 4    and name C4  )   1  -119.0  30.0   2

assign ( resid 5    and name O4' )
       ( resid 5    and name C1' )
       ( resid 5    and name N9  )
       ( resid 5    and name C4  )   1  -119.0  30.0   2

assign ( resid 6    and name O4' )
       ( resid 6    and name C1' )
       ( resid 6    and name N9  )
       ( resid 6    and name C4  )   1  -119.0  30.0   2

assign ( resid 7    and name O4' )
       ( resid 7    and name C1' )
       ( resid 7    and name N1  )
       ( resid 7    and name C2  )   1  -119.0  30.0   2

assign ( resid 8    and name O4' )
       ( resid 8    and name C1' )
       ( resid 8    and name N1  )
       ( resid 8    and name C2  )   1  -119.0  30.0   2

assign ( resid 9    and name O4' )
       ( resid 9    and name C1' )
       ( resid 9    and name N1  )
       ( resid 9    and name C2  )   1  -119.0  30.0   2

assign ( resid 10   and name O4' )
       ( resid 10   and name C1' )
       ( resid 10   and name N9  )
       ( resid 10   and name C4  )   1  -119.0  30.0   2

assign ( resid 11   and name O4' )
       ( resid 11   and name C1' )
       ( resid 11   and name N1  )
       ( resid 11   and name C2  )   1  -119.0  30.0   2

assign ( resid 12   and name O4' )
       ( resid 12   and name C1' )
       ( resid 12   and name N9  )
       ( resid 12   and name C4  )   1  -119.0  30.0   2

assign ( resid 13   and name O4' )
       ( resid 13   and name C1' )
       ( resid 13   and name N1  )
       ( resid 13   and name C2  )   1  -119.0  30.0   2

assign ( resid 14   and name O4' )
       ( resid 14   and name C1' )
       ( resid 14   and name N9  )
       ( resid 14   and name C4  )   1  -119.0  30.0   2

assign ( resid 15   and name O4' )
       ( resid 15   and name C1' )
       ( resid 15   and name N1  )
       ( resid 15   and name C2  )   1  -119.0  30.0   2

assign ( resid 16   and name O4' )
       ( resid 16   and name C1' )
       ( resid 16   and name N9  )
       ( resid 16   and name C4  )   1  -119.0  30.0   2

assign ( resid 17   and name O4' )
       ( resid 17   and name C1' )
       ( resid 17   and name N9  )
       ( resid 17   and name C4  )   1  -119.0  30.0   2

assign ( resid 18   and name O4' )
       ( resid 18   and name C1' )
       ( resid 18   and name N9  )
       ( resid 18   and name C4  )   1  -119.0  30.0   2

assign ( resid 19   and name O4' )
       ( resid 19   and name C1' )
       ( resid 19   and name N1  )
       ( resid 19   and name C2  )   1  -119.0  30.0   2

assign ( resid 20   and name O4' )
       ( resid 20   and name C1' )
       ( resid 20   and name N1  )
       ( resid 20   and name C2  )   1  -119.0  30.0   2

assign ( resid 21   and name O4' )
       ( resid 21   and name C1' )
       ( resid 21   and name N1  )
       ( resid 21   and name C2  )   1  -119.0  30.0   2

assign ( resid 22   and name O4' )
       ( resid 22   and name C1' )
       ( resid 22   and name N9  )
       ( resid 22   and name C4  )   1  -119.0  30.0   2

assign ( resid 23   and name O4' )
       ( resid 23   and name C1' )
       ( resid 23   and name N1  )
       ( resid 23   and name C2  )   1  -119.0  30.0   2

assign ( resid 24   and name O4' )
       ( resid 24   and name C1' )
       ( resid 24   and name N9  )
       ( resid 24   and name C4  )   1  -119.0  30.0   2



!dipolar_ribose_nico.tbl
!sugars CH dipolar class I
!First strand DC correct. version
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C1'   )
       ( resid 1    and name H1'   )  2.01  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C2'   )
       ( resid 1    and name H2'   )  5.25  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C3'   )
       ( resid 1    and name H3'   ) -5.99  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C4'   )
       ( resid 1    and name H4'   )  3.41  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C5'   )
       ( resid 1    and name H5''  )  1.71  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C2'   )
       ( resid 2    and name H2'   )  10.83  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C5'   )
       ( resid 2    and name H5''  )  15.03  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C1'   )
       ( resid 3    and name H1'   )   0.48  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C1'   )
       ( resid 4    and name H1'   )  13.61  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C2'   )
       ( resid 4    and name H2'   )   9.98  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C3'   )
       ( resid 4    and name H3'   )  18.65  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C4'   )
       ( resid 4    and name H4'   )  -4.77  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C5'   )
       ( resid 4    and name H5''  )  18.06  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C1'   )
       ( resid 5    and name H1'   )  18.58  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C2'   )
       ( resid 5    and name H2'   )  12.07  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C3'   )
       ( resid 5    and name H3'   )  15.87  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C4'   )
       ( resid 5    and name H4'   )  -4.40  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C5'   )
       ( resid 5    and name H5''  )   9.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C1'   )
       ( resid 6    and name H1'   )  16.15  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C2'   )
       ( resid 6    and name H2'   )  16.24  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C3'   )
       ( resid 6    and name H3'   )  12.84  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C4'   )
       ( resid 6    and name H4'   )   5.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C5'   )
       ( resid 6    and name H5''  )  10.31  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C1'   )
       ( resid 7    and name H1'   )   9.97  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C2'   )
       ( resid 7    and name H2'   )   5.24  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C3'   )
       ( resid 7    and name H3'   )   7.63  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C4'   )
       ( resid 7    and name H4'   )  7.02  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C5'   )
       ( resid 7    and name H5''  )  17.22  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C1'   )
       ( resid 8    and name H1'   )  10.31  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C2'   )
       ( resid 8    and name H2'   )   8.65  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C3'   )
       ( resid 8    and name H3'   )  15.48  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C4'   )
       ( resid 8    and name H4'   )   7.05  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C1'   )
       ( resid 9    and name H1'   )   8.16  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C2'   )
       ( resid 9    and name H2'   )   3.38  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C3'   )
       ( resid 9    and name H3'   )  17.76  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C4'   )
       ( resid 9    and name H4'   )   7.63  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C5'   )
       ( resid 9    and name H5''  )  15.59  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C1'   )
       ( resid 10   and name H1'   )  15.35  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C2'   )
       ( resid 10   and name H2'   )  15.15  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C5'   )
       ( resid 10   and name H5''  )   9.92  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C1'   )
       ( resid 11   and name H1'   )  14.19  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C2'   )
       ( resid 11   and name H2'   )  12.74  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C1'   )
       ( resid 12   and name H1'   )  11.02  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C2'   )
       ( resid 12   and name H2'   )  11.72  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C3'   )
       ( resid 12   and name H3'   )   3.39  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C4'   )
       ( resid 12   and name H4'   )  13.79  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C5'   )
       ( resid 12   and name H5''  )   7.71  0.2000  0.2000

!
! 2nd strand
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C1'   )
       ( resid 13   and name H1'   )  2.01  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C2'   )
       ( resid 13   and name H2'   )  5.25  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C3'   )
       ( resid 13   and name H3'   ) -5.99  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C4'   )
       ( resid 13   and name H4'   )  3.41  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C5'   )
       ( resid 13   and name H5''  )  1.71  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C2'   )
       ( resid 14   and name H2'   )  10.83  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C5'   )
       ( resid 14   and name H5''  )  15.03  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C1'   )
       ( resid 15   and name H1'   )   0.48  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C1'   )
       ( resid 16   and name H1'   )  13.61  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C2'   )
       ( resid 16   and name H2'   )   9.98  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C3'   )
       ( resid 16   and name H3'   )  18.65  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C4'   )
       ( resid 16   and name H4'   )  -4.77  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C5'   )
       ( resid 16   and name H5''  )  18.06  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C1'   )
       ( resid 17   and name H1'   )  18.58  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C2'   )
       ( resid 17   and name H2'   )  12.07  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C3'   )
       ( resid 17   and name H3'   )  15.87  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C4'   )
       ( resid 17   and name H4'   )  -4.40  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C5'   )
       ( resid 17   and name H5''  )   9.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C1'   )
       ( resid 18   and name H1'   )  16.15  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C2'   )
       ( resid 18   and name H2'   )  16.24  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C3'   )
       ( resid 18   and name H3'   )  12.84  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C4'   )
       ( resid 18   and name H4'   )   5.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C5'   )
       ( resid 18   and name H5''  )  10.31  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C1'   )
       ( resid 19   and name H1'   )   9.97  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C2'   )
       ( resid 19   and name H2'   )   5.24  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C3'   )
       ( resid 19   and name H3'   )   7.63  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C4'   )
       ( resid 19   and name H4'   )  7.02  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C5'   )
       ( resid 19   and name H5''  )  17.22  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C1'   )
       ( resid 20   and name H1'   )  10.31  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C2'   )
       ( resid 20   and name H2'   )   8.65  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C3'   )
       ( resid 20   and name H3'   )  15.48  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C4'   )
       ( resid 20   and name H4'   )   7.05  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C1'   )
       ( resid 21   and name H1'   )   8.16  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C2'   )
       ( resid 21   and name H2'   )   3.38  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C3'   )
       ( resid 21   and name H3'   )  17.76  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C4'   )
       ( resid 21   and name H4'   )   7.63  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C5'   )
       ( resid 21   and name H5''  )  15.59  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C1'   )
       ( resid 22   and name H1'   )  15.35  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C2'   )
       ( resid 22   and name H2'   )  15.15  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C5'   )
       ( resid 22   and name H5''  )   9.92  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C1'   )
       ( resid 23   and name H1'   )  14.19  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C2'   )
       ( resid 23   and name H2'   )  12.74  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C1'   )
       ( resid 24   and name H1'   )  11.02  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C2'   )
       ( resid 24   and name H2'   )  11.72  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C3'   )
       ( resid 24   and name H3'   )   3.39  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C4'   )
       ( resid 24   and name H4'   )  13.79  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C5'   )
       ( resid 24   and name H5''  )   7.71  0.2000  0.2000


!dipolar_base.tbl
!dipolar CH base class I
!
!First strand
!Base dipolar coupling
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C6    )
       ( resid 1    and name H6    )  5.24  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C6    )
       ( resid 3    and name H6    )  17.95  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C8    )
       ( resid 4    and name H8    )  24.20  0.2000  0.2000


assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C2    )
       ( resid 5    and name H2    )  21.36  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C8    )
       ( resid 5    and name H8    )  22.31  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C2    )
       ( resid 6    and name H2    )  22.99  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C8    )
       ( resid 6    and name H8    )  17.73  0.2000  0.2000


assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C6    )
       ( resid 7    and name H6    )  10.68  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C6    )
       ( resid 8    and name H6    )  23.52  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C6    )
       ( resid 9    and name H6    )  23.52  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C6    )
       ( resid 11   and name H6    )  10.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C8    )
       ( resid 12   and name H8    )  2.42   0.2000  0.2000


!2nd strand
!Base dipolar coupling
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C6    )
       ( resid 13   and name H6    )  5.24  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C6    )
       ( resid 15   and name H6    )  17.95  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C8    )
       ( resid 16   and name H8    )  24.20  0.2000  0.2000


assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C2    )
       ( resid 17   and name H2    )  21.36  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C8    )
       ( resid 17   and name H8    )  22.31  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C2    )
       ( resid 18   and name H2    )  22.99  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C8    )
       ( resid 18   and name H8    )  17.73  0.2000  0.2000


assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C6    )
       ( resid 19   and name H6    )  10.68  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C6    )
       ( resid 20   and name H6    )  23.52  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C6    )
       ( resid 21   and name H6    )  23.52  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C6    )
       ( resid 23   and name H6    )  10.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C8    )
       ( resid 24   and name H8    )  2.42   0.2000  0.2000



!dipolar_imino.tbl
!base imino dipolar
!First strand
!Base dipolar coupling
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name N1    )
       ( resid 2    and name H1    )  7.26  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name N1    )
       ( resid 4    and name H1    ) 12.94  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name N3    )
       ( resid 7    and name H3    ) 4.72  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name N3    )
       ( resid 8    and name H3    ) 9.82  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name N1    )
       ( resid 10   and name H1    ) 7.11  0.2000  0.2000

!
!opposite strand
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name N1    )
       ( resid 14   and name H1    ) 7.26  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name N1    )
       ( resid 16   and name H1    ) 12.94  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name N3    )
       ( resid 19   and name H3    ) 4.72  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name N3    )
       ( resid 20   and name H3    )  9.82  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name N1    )
       ( resid 22   and name H1    )  7.11  0.2000  0.2000




!dipolar_methyl.tbl
!base methyl dipolar
!First strand
!Base dipolar coupling
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C5    )
       ( resid 7    and name CM     )  14.82  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C5    )
       ( resid 8    and name CM     )  11.03  0.2000  0.2000

!
! 2nd strand
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C5    )
       ( resid 19   and name CM     )  14.82  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C5    )
       ( resid 20   and name CM     )  11.03  0.2000  0.2000




!dipolar_ribose_add.tbl
!sugars CH dipolar class II
! residual dipolar restraints
! from less trusting values
! shuld be 1/8 contribution to the force
!


assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C1'   )
       ( resid 2    and name H1'   )   8.50  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C3'   )
       ( resid 2    and name H3'   )   6.05  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C4'   )
       ( resid 2    and name H4'   )   6.40  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C2'   )
       ( resid 3    and name H2'   )   -8.43  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C3'   )
       ( resid 3    and name H3'   )   -0.01  0.2000  0.2000

!assign ( resid 500  and name OO    )
!       ( resid 500  and name Z     )
!       ( resid 500  and name X     )
!       ( resid 500  and name Y     )
!       ( resid 3    and name C4'   )
!       ( resid 3    and name H4'   )   5.03  0.2000  0.2000
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C4'   )
       ( resid 3    and name H4'   )  -1.00  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C5'   )
       ( resid 3    and name H5''   )   18.80  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 8    and name C5'   )
       ( resid 8    and name H5''   )   14.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C3'   )
       ( resid 10   and name H3'   )   22.00  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C4'   )
       ( resid 10   and name H4'   )   9.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C3'   )
       ( resid 11   and name H3'   )   7.73  0.2000  0.2000

!assign ( resid 500  and name OO    )
!       ( resid 500  and name Z     )
!       ( resid 500  and name X     )
!       ( resid 500  and name Y     )
!       ( resid 11   and name C4'   )
!       ( resid 11   and name H4'   )  12.26  0.2000  0.2000
!
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C4'   )
       ( resid 11   and name H4'   )  16.00  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C5'   )
       ( resid 11   and name H5''   )  13.95  0.2000  0.2000

!
! 2nd strand
!


assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C1'   )
       ( resid 14   and name H1'   )   8.50  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C3'   )
       ( resid 14   and name H3'   )   6.05  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C4'   )
       ( resid 14   and name H4'   )   6.40  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C2'   )
       ( resid 15   and name H2'   )   -8.43  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C3'   )
       ( resid 15   and name H3'   )   -0.01  0.2000  0.2000

!assign ( resid 500  and name OO    )
!       ( resid 500  and name Z     )
!       ( resid 500  and name X     )
!       ( resid 500  and name Y     )
!       ( resid 15   and name C4'   )
!       ( resid 15   and name H4'   )   5.03  0.2000  0.2000
!
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C4'   )
       ( resid 15   and name H4'   )   -1.00  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C5'   )
       ( resid 15   and name H5''   )   18.80  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 20   and name C5'   )
       ( resid 20   and name H5''   )   14.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C3'   )
       ( resid 22   and name H3'   )   22.00  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C4'   )
       ( resid 22   and name H4'   )   9.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C3'   )
       ( resid 23   and name H3'   )   7.73  0.2000  0.2000

!assign ( resid 500  and name OO    )
!       ( resid 500  and name Z     )
!       ( resid 500  and name X     )
!       ( resid 500  and name Y     )
!       ( resid 23   and name C4'   )
!       ( resid 23   and name H4'   )  12.26  0.2000  0.2000
!
!The new value is checked by looking at the spectrum of the
!overlapping peaks and carefully measuring their distance
!with Bax

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C4'   )
       ( resid 23   and name H4'   )  16.00  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C5'   )
       ( resid 23   and name H5''   )  13.95  0.2000  0.2000


!dipolar_c2.tbl
!sugar C2'-H2'' dipolar class II
!
! C2'-H2" residual dipolar restraints
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C2'   )
       ( resid 1    and name H2''  )  1.03  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C2'   )
       ( resid 2    and name H2''  )  -17.53 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C2'   )
       ( resid 3    and name H2''  )  -8.42 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C2'   )
       ( resid 4    and name H2''  )  -24.41 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C2'   )
       ( resid 5    and name H2''  )  -14.19  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C2'   )
       ( resid 6    and name H2''  )  -16.15  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C2'   )
       ( resid 9    and name H2''  )  -18.20  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C2'   )
       ( resid 10   and name H2''  )  -23.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C2'   )
       ( resid 11   and name H2''  )  -1.17  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C2'   )
       ( resid 12   and name H2''  )  -4.84  0.2000  0.2000


!
! C2'-H2" residual dipolar restraints 2nd Strand
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C2'   )
       ( resid 13   and name H2''  )  1.03  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C2'   )
       ( resid 14   and name H2''  )  -17.53 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C2'   )
       ( resid 15   and name H2''  )  -8.42 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C2'   )
       ( resid 16   and name H2''  )  -24.41 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C2'   )
       ( resid 17   and name H2''  )  -14.19  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C2'   )
       ( resid 18   and name H2''  )  -16.15  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C2'   )
       ( resid 21   and name H2''  )  -18.20  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C2'   )
       ( resid 22   and name H2''  )  -23.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C2'   )
       ( resid 23   and name H2''  )  -1.17  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C2'   )
       ( resid 24   and name H2''  )  -4.84  0.2000  0.2000




!dipolar_c5_nico.tbl
!sugars C5'-H5' dipolar class II
!
! C5'-H5" residual dipolar restraints
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C5'   )
       ( resid 1    and name H5'    )  -5.57  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C5'   )
       ( resid 2    and name H5'    )  -20.71  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 4    and name C5'   )
       ( resid 4    and name H5'    )  -22.05 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 5    and name C5'   )
       ( resid 5    and name H5'    )  -18.57  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 6    and name C5'   )
       ( resid 6    and name H5'    )  -21.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 7    and name C5'   )
       ( resid 7    and name H5'    )  -20.23  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C5'   )
       ( resid 9    and name H5'    )  -32.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C5'   )
       ( resid 10   and name H5'    )  -25.94  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 12   and name C5'   )
       ( resid 12   and name H5'    )  -28.56  0.2000  0.2000

!
! 2nd Strand
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C5'   )
       ( resid 13   and name H5'    )  -5.57  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C5'   )
       ( resid 14   and name H5'    )  -20.71  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 16   and name C5'   )
       ( resid 16   and name H5'    )  -22.05 0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 17   and name C5'   )
       ( resid 17   and name H5'    )  -18.57  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 18   and name C5'   )
       ( resid 18   and name H5'    )  -21.86  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 19   and name C5'   )
       ( resid 19   and name H5'    )  -20.23  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C5'   )
       ( resid 21   and name H5'    )  -32.09  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C5'   )
       ( resid 22   and name H5'    )  -25.94  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 24   and name C5'   )
       ( resid 24   and name H5'    )  -28.56  0.2000  0.2000


!dipolar_base_add.tbl
!base Ch dipolar class II
!First strand
!Base dipolar coupling
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 1    and name C5    )
       ( resid 1    and name H5    )  14.53  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 2    and name C8    )
       ( resid 2    and name H8    )  6.95  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 3    and name C5    )
       ( resid 3    and name H5    )  4.26  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 9    and name C5    )
       ( resid 9    and name H5    )  8.73  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 10   and name C8    )
       ( resid 10   and name H8    )  19.93  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 11   and name C5    )
       ( resid 11   and name H5    )  24.20  0.2000  0.2000

!2nd strand
!Base dipolar coupling
!

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 13   and name C5    )
       ( resid 13   and name H5    )  14.53  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 14   and name C8    )
       ( resid 14   and name H8    )  6.95  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 15   and name C5    )
       ( resid 15   and name H5    )  4.26  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 21   and name C5    )
       ( resid 21   and name H5    )  8.73  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 22   and name C8    )
       ( resid 22   and name H8    )  19.93  0.2000  0.2000

assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X     )
       ( resid 500  and name Y     )
       ( resid 23   and name C5    )
       ( resid 23   and name H5    )  24.20  0.2000  0.2000


!HH_dipolar.tbl
!proton-proton dipolar no sign

! Bax's HH COSY data
!

!! H1'(i ) to H5'(i+1 )
! strong
! |D| > 7



! medium
! 3 < D < 7

! weak
!


!! H1' to H4'
!strong

!medium
!
!weak
!
!missing
!

!
!

!
!


!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H2'  )
       ( resid 2    and name H8   ) 7.50  2.50  2.50

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H2'  )
       ( resid 14   and name H8   ) 7.50  2.50  2.50

!
!

!
!

!
!

!
!

!
!

!
!

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 12   and name H1'  )
       ( resid 12   and name H8   ) 6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 24   and name H1'  )
       ( resid 24   and name H8   ) 6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H1'  )
       ( resid 12   and name H8   ) 6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H1'  )
       ( resid 24   and name H8   ) 6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H1'  )
       ( resid 2    and name H8   ) 6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H1'  )
       ( resid 14   and name H8   ) 6.00  2.00  2.00

!
!

!
!

!
!



!HH_dipolar_sign.tbl
!proton-proton dipolars with sign
! Bax's HH COSY data
!

!sign matters
!! H2' to H3'
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H2'  )
       ( resid 1    and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H2'  )
       ( resid 13   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H2'  )
       ( resid 3    and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H2'  )
       ( resid 15   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 5    and name H2'  )
       ( resid 5    and name H3'  ) -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 17   and name H2'  )
       ( resid 17   and name H3'  ) -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H2'  )
       ( resid 6    and name H3'  ) -6.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H2'  )
       ( resid 18   and name H3'  ) -6.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H2'  )
       ( resid 7    and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H2'  )
       ( resid 19   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H2'  )
       ( resid 8    and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H2'  )
       ( resid 20   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H2'  )
       ( resid 11   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H2'  )
       ( resid 23   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 12   and name H2'  )
       ( resid 12   and name H3'  ) 0.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 24   and name H2'  )
       ( resid 24   and name H3'  ) 0.00  0.00  20.00

!sign matters
!! from H2'' to H3'
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H2'' )
       ( resid 1    and name H3'  ) -3.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H2'' )
       ( resid 13   and name H3'  ) -3.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H2'' )
       ( resid 3    and name H3'  ) -2.30  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H2'' )
       ( resid 15   and name H3'  ) -2.30  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 5    and name H2'' )
       ( resid 5    and name H3'  ) -1.50  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 17   and name H2'' )
       ( resid 17   and name H3'  ) -1.50  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H2'' )
       ( resid 6    and name H3'  ) -1.50  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H2'' )
       ( resid 18   and name H3'  ) -1.50  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H2'' )
       ( resid 7    and name H3'  ) -2.20  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H2'' )
       ( resid 19   and name H3'  ) -2.20  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H2'' )
       ( resid 8    and name H3'  ) -1.60  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H2'' )
       ( resid 20   and name H3'  ) -1.60  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H2'' )
       ( resid 11   and name H3'  ) 5.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H2'' )
       ( resid 23   and name H3'  ) 5.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 12   and name H2'' )
       ( resid 12   and name H3'  ) -3.60  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 24   and name H2'' )
       ( resid 24   and name H3'  ) -3.60  4.00  4.00

!
!!H1' to H2'/H2''
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H1'  )
       ( resid 1    and name H2'  ) -8.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H1'  )
       ( resid 1    and name H2'' ) -13.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H1'  )
       ( resid 13   and name H2'  ) -8.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H1'  )
       ( resid 13   and name H2'' ) -13.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H1'  )
       ( resid 2    and name H2'  ) -4.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H1'  )
       ( resid 2    and name H2'' )  -12.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H1'  )
       ( resid 14   and name H2'  ) -4.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H1'  )
       ( resid 14   and name H2'' )  -12.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H1'  )
       ( resid 3    and name H2'  )  -9.00  5.00  5.00


assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H1'  )
       ( resid 3    and name H2'' )  -12.0  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H1'  )
       ( resid 15   and name H2'  )  -9.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H1'  )
       ( resid 15   and name H2'' )  -12.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H1'  )
       ( resid 4    and name H2'  )  2.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H1'  )
       ( resid 4    and name H2'' )  -5.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H1'  )
       ( resid 16   and name H2'  )  2.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H1'  )
       ( resid 16   and name H2'' )  -5.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 5    and name H1'  )
       ( resid 5    and name H2'  )  5.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 5    and name H1'  )
       ( resid 5    and name H2'' )  -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 17   and name H1'  )
       ( resid 17   and name H2'  )  5.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 17   and name H1'  )
       ( resid 17   and name H2'' )  -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H1'  )
       ( resid 6    and name H2'  )  1.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H1'  )
       ( resid 6    and name H2'' )  -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H1'  )
       ( resid 18   and name H2'  )  1.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H1'  )
       ( resid 18   and name H2'' )  -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H1'  )
       ( resid 7    and name H2'  )  -1.50  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H1'  )
       ( resid 7    and name H2'' )  -11.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H1'  )
       ( resid 19   and name H2'  )  -1.50  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H1'  )
       ( resid 19   and name H2'' )  -11.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H1'  )
       ( resid 8    and name H2'  )  2.50  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H1'  )
       ( resid 8    and name H2'' )  -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H1'  )
       ( resid 20   and name H2'  )  2.50  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H1'  )
       ( resid 20   and name H2'' )  -6.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H1'  )
       ( resid 10   and name H2'  )  5.00  7.00  7.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H1'  )
       ( resid 10   and name H2'' )  -5.50  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H1'  )
       ( resid 22   and name H2'  )  5.00  7.00  7.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H1'  )
       ( resid 22   and name H2'' )  -5.50  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H1'  )
       ( resid 11   and name H2'  )  0.60  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H1'  )
       ( resid 11   and name H2'' )  -16.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H1'  )
       ( resid 23   and name H2'  )  0.60  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H1'  )
       ( resid 23   and name H2'' )  -16.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 12   and name H1'  )
       ( resid 12   and name H2'  )  -1.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 12   and name H1'  )
       ( resid 12   and name H2'' )  -16.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 24   and name H1'  )
       ( resid 24   and name H2'  )  -1.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 24   and name H1'  )
       ( resid 24   and name H2'' )  -16.00  4.00  4.00




!HH_dipolar_sign2.tbl
!proton-proton dipolar whose signs were
!determined after the structure was 
!refined
! Bax's HH COSY data
!

!! H1'(i ) to H5'(i+1 )
! strong
! |D| > 7

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H1'  )
       ( resid 3    and name H5'  ) 7.00  0.50  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H1'  )
       ( resid 15   and name H5'  ) 7.00  0.50  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H1'  )
       ( resid 7    and name H5'  ) 7.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H1'  )
       ( resid 19   and name H5'  ) 7.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H1'  )
       ( resid 8    and name H5'  ) 7.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H1'  )
       ( resid 20   and name H5'  ) 7.00  0.00  20.00


! medium
! 3 < D < 7

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H1'  )
       ( resid 2    and name H5'  ) 5.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H1'  )
       ( resid 14   and name H5'  ) 5.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H1'  )
       ( resid 4    and name H5'  ) 5.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H1'  )
       ( resid 16   and name H5'  ) 5.00  2.00  2.00

! weak
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H1'  )
       ( resid 5    and name H5'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H1'  )
       ( resid 17   and name H5'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 5    and name H1'  )
       ( resid 6    and name H5'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 17   and name H1'  )
       ( resid 18   and name H5'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H1'  )
       ( resid 9    and name H5'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H1'  )
       ( resid 21   and name H5'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H1'  )
       ( resid 11   and name H5'  ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H1'  )
       ( resid 23   and name H5'  ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H1'  )
       ( resid 12   and name H5'  ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H1'  )
       ( resid 24   and name H5'  ) 0.00  6.00  6.00


!! H1' to H4'
!strong

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H1'  )
       ( resid 3    and name H4'  ) 6.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H1'  )
       ( resid 15   and name H4'  ) 6.00  0.00  20.00

!medium
!
assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 12   and name H1'  )
       ( resid 12   and name H4'  ) 5.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 24   and name H1'  )
       ( resid 24   and name H4'  ) 5.00  2.00  2.00

!weak
!
assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H1'  )
       ( resid 11   and name H4'  ) 6.00  6.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H1'  )
       ( resid 23   and name H4'  ) 6.00  6.00  0.00

!missing
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H1'  )
       ( resid 1    and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H1'  )
       ( resid 13   and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H1'  )
       ( resid 2    and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H1'  )
       ( resid 14   and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H1'  )
       ( resid 4    and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H1'  )
       ( resid 16   and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 5    and name H1'  )
       ( resid 5    and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 17   and name H1'  )
       ( resid 17   and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H1'  )
       ( resid 8    and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H1'  )
       ( resid 20   and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H1'  )
       ( resid 10   and name H4'  ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H1'  )
       ( resid 22   and name H4'  ) 0.00  5.00  5.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H8   )
       ( resid 7    and name H5#  ) -9.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H8   )
       ( resid 19   and name H5#  ) -9.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H6   )
       ( resid 7    and name H5#  ) 7.50  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H6   )
       ( resid 19   and name H5#  ) 7.50  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H6   )
       ( resid 8    and name H5#  ) -9.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H6   )
       ( resid 20   and name H5#  ) -9.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H6   )
       ( resid 8    and name H5#  ) 6.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H6   )
       ( resid 20   and name H5#  ) 6.00  0.00  20.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H2'  )
       ( resid 12   and name H8   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H2'  )
       ( resid 24   and name H8   ) 0.00  5.00  5.00


!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H2'' )
       ( resid 12   and name H8   ) -5.50  2.50  2.50

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H2'' )
       ( resid 24   and name H8   ) -5.50  2.50  2.50

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H2'  )
       ( resid 6    and name H8   ) 6.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H2'  )
       ( resid 18   and name H8   ) 6.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H2'' )
       ( resid 5    and name H8   ) 5.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H2'' )
       ( resid 17   and name H8   ) 5.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H2'  )
       ( resid 4    and name H8   ) 8.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H2'  )
       ( resid 16   and name H8   ) 8.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H2'' )
       ( resid 4    and name H8   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H2'' )
       ( resid 16   and name H8   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H2'' )
       ( resid 4    and name H8   ) -6.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H2'' )
       ( resid 16   and name H8   ) -6.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H2'  )
       ( resid 4    and name H8   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H2'  )
       ( resid 16   and name H8   ) 0.00  5.00  5.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H2'  )
       ( resid 1    and name H6   ) 5.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H2'  )
       ( resid 13   and name H6   ) 5.00  0.00  20.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 1    and name H2'' )
       ( resid 1    and name H6   ) 4.00  4.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 13   and name H2'' )
       ( resid 13   and name H6   ) 4.00  4.00  0.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H2'  )
       ( resid 8    and name H6   ) 5.00  5.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H2'  )
       ( resid 20   and name H6   ) 5.00  5.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H2'  )
       ( resid 8    and name H6   ) -5.00  3.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H2'  )
       ( resid 20   and name H6   ) -5.00  3.00  2.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H2'  )
       ( resid 11   and name H6   ) -5.00  0.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H2'  )
       ( resid 23   and name H6   ) -5.00  0.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 11   and name H2'' )
       ( resid 11   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 23   and name H2'' )
       ( resid 23   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H2'  )
       ( resid 11   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H2'  )
       ( resid 23   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H2'' )
       ( resid 11   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H2'' )
       ( resid 23   and name H6   ) 0.00  5.00  5.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H2'  )
       ( resid 3    and name H6   ) 7.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H2'  )
       ( resid 15   and name H6   ) 7.00  3.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H2'' )
       ( resid 3    and name H6   ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H2'' )
       ( resid 15   and name H6   ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H2'  )
       ( resid 3    and name H6   ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H2'  )
       ( resid 15   and name H6   ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H2'' )
       ( resid 3    and name H6   ) 0.00  6.00  6.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H2'' )
       ( resid 15   and name H6   ) 0.00  6.00  6.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H2'' )
       ( resid 7    and name H6   ) -7.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H2'' )
       ( resid 19   and name H6   ) -7.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H2'' )
       ( resid 7    and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H2'' )
       ( resid 19   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H2'  )
       ( resid 7    and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H2'  )
       ( resid 19   and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H2'  )
       ( resid 7    and name H6   ) 4.00  1.00  3.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H2'  )
       ( resid 19   and name H6   ) 4.00  1.00  3.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H1'  )
       ( resid 5    and name H8   ) -5.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H1'  )
       ( resid 17   and name H8   ) -5.00  20.00  0.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H1'  )
       ( resid 6    and name H8   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H1'  )
       ( resid 18   and name H8   ) 0.00  5.00  5.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H8   )
       ( resid 3    and name H5   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H8   )
       ( resid 15   and name H5   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 10   and name H8   )
       ( resid 11   and name H5   ) -6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 22   and name H8   )
       ( resid 23   and name H5   ) -6.00  2.00  2.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 4    and name H1'  )
       ( resid 4    and name H8   ) 0.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 16   and name H1'  )
       ( resid 16   and name H8   ) 0.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 3    and name H1'  )
       ( resid 4    and name H8   ) -6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 15   and name H1'  )
       ( resid 16   and name H8   ) -6.00  2.00  2.00

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 8    and name H1'  )
       ( resid 8    and name H6   ) 0.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 20   and name H1'  )
       ( resid 20   and name H6   ) 0.00  4.00  4.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H1'  )
       ( resid 8    and name H6   ) -4.50  1.50  1.50

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H1'  )
       ( resid 20   and name H6   ) -4.50  1.50  1.50

!
!

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 2    and name H1'  )
       ( resid 3    and name H6   ) -6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 14   and name H1'  )
       ( resid 15   and name H6   ) -6.00  2.00  2.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 6    and name H1'  )
       ( resid 7    and name H6   ) -7.50  2.50  2.50

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 18   and name H1'  )
       ( resid 19   and name H6   ) -7.50  2.50  2.50

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 7    and name H1'  )
       ( resid 7    and name H6   ) 0.00  5.00  5.00

assign ( resid 500  and name OO   )
       ( resid 500  and name Z    )
       ( resid 500  and name X    )
       ( resid 500  and name Y    )
       ( resid 19   and name H1'  )
       ( resid 19   and name H6   ) 0.00  5.00  5.00



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1  12.902  -6.689   3.884
    2   2H5*    C   1          2H5*        C   1  13.712  -6.503   5.454
    3    H4*    C   1           H4*        C   1  13.464  -4.293   4.327
    4    H3*    C   1           H3*        C   1  12.579  -4.978   6.944
    5    H1*    C   1           H1*        C   1  11.019  -2.420   4.463
    6   1H4     C   1          1H4         C   1   4.736  -3.151   3.956
    7   2H4     C   1          2H4         C   1   4.823  -4.809   4.511
    8    H5     C   1           H5         C   1   6.883  -5.874   5.169
    9    H6     C   1           H6         C   1   9.302  -5.585   5.423
   10    H5T    C   1           H5T        C   1  11.637  -6.537   6.419
   11   1H2*    C   1          1H2*        C   1  10.469  -4.101   6.905
   12   2H2*    C   1          2H2*        C   1  11.253  -2.485   6.863
   13   1H5*    G   2          1H5*        G   2  12.652  -0.405   6.174
   14   2H5*    G   2          2H5*        G   2  14.044   0.050   7.175
   15    H4*    G   2           H4*        G   2  12.501   1.870   7.317
   16    H3*    G   2           H3*        G   2  13.082   0.437   9.658
   17    H1*    G   2           H1*        G   2   9.671   1.929   8.785
   18    H8     G   2           H8         G   2   9.705  -1.969   9.026
   19    H1     G   2           H1         G   2   4.037   0.703   7.731
   20   1H2     G   2          1H2         G   2   5.823   3.701   7.724
   21   2H2     G   2          2H2         G   2   4.272   2.909   7.536
   22   1H2*    G   2          1H2*        G   2  10.987  -0.420  10.161
   23   2H2*    G   2          2H2*        G   2  10.700   1.242  10.769
   24   1H5*    C   3          1H5*        C   3  10.913   4.530   9.343
   25   2H5*    C   3          2H5*        C   3  11.432   5.646  10.626
   26    H4*    C   3           H4*        C   3   9.104   6.100   9.964
   27    H3*    C   3           H3*        C   3   9.838   5.480  12.662
   28    H1*    C   3           H1*        C   3   6.554   4.804  10.762
   29   1H4     C   3          1H4         C   3   5.975  -1.728  11.857
   30   2H4     C   3          2H4         C   3   4.404  -1.142  11.347
   31    H5     C   3           H5         C   3   7.896  -0.286  12.139
   32    H6     C   3           H6         C   3   8.712   2.019  11.968
   33   1H2*    C   3          1H2*        C   3   8.173   3.994  13.181
   34   2H2*    C   3          2H2*        C   3   7.044   5.373  12.989
   35   1H5*    G   4          1H5*        G   4   5.741   7.585  11.482
   36   2H5*    G   4          2H5*        G   4   5.837   9.087  12.422
   37    H4*    G   4           H4*        G   4   3.516   8.447  12.281
   38    H3*    G   4           H3*        G   4   4.737   8.807  14.746
   39    H1*    G   4           H1*        G   4   2.135   6.145  14.063
   40    H8     G   4           H8         G   4   5.621   4.630  14.798
   41    H1     G   4           H1         G   4   0.967   0.371  13.749
   42   1H2     G   4          1H2         G   4  -0.916   1.417  13.236
   43   2H2     G   4          2H2         G   4  -1.020   3.162  13.145
   44   1H2*    G   4          1H2*        G   4   4.802   6.571  15.446
   45   2H2*    G   4          2H2*        G   4   3.154   7.018  16.023
   46   1H5*    A   5          1H5*        A   5   0.264   7.951  14.010
   47   2H5*    A   5          2H5*        A   5  -0.609   9.313  14.733
   48    H4*    A   5           H4*        A   5  -2.159   7.508  14.559
   49    H3*    A   5           H3*        A   5  -1.562   8.521  17.098
   50    H1*    A   5           H1*        A   5  -2.145   4.789  16.382
   51    H8     A   5           H8         A   5   1.572   5.766  17.099
   52   1H6     A   5          1H6         A   5   3.287   1.288  17.607
   53   2H6     A   5          2H6         A   5   2.563  -0.304  17.531
   54    H2     A   5           H2         A   5  -1.805   0.316  16.639
   55   1H2*    A   5          1H2*        A   5  -0.513   6.696  18.059
   56   2H2*    A   5          2H2*        A   5  -2.208   6.145  18.287
   57   1H5*    A   6          1H5*        A   6  -4.872   5.266  16.344
   58   2H5*    A   6          2H5*        A   6  -6.343   5.939  17.081
   59    H4*    A   6           H4*        A   6  -6.429   3.505  17.129
   60    H3*    A   6           H3*        A   6  -6.735   5.079  19.433
   61    H1*    A   6           H1*        A   6  -4.985   1.657  19.341
   62    H8     A   6           H8         A   6  -2.657   4.675  20.226
   63   1H6     A   6          1H6         A   6   1.729   0.384  20.878
   64   2H6     A   6          2H6         A   6   1.357   2.092  20.963
   65    H2     A   6           H2         A   6  -2.061  -1.699  19.636
   66   1H2*    A   6          1H2*        A   6  -4.939   4.343  20.703
   67   2H2*    A   6          2H2*        A   6  -6.004   2.932  20.996
   68   1H5*    T   7          1H5*        T   7  -7.450   0.683  19.130
   69   2H5*    T   7          2H5*        T   7  -9.013   0.126  19.768
   70    H4*    T   7           H4*        T   7  -7.370  -1.648  20.041
   71    H3*    T   7           H3*        T   7  -8.628  -0.455  22.343
   72   1H2*    T   7          1H2*        T   7  -6.801  -0.242  23.694
   73   2H2*    T   7          2H2*        T   7  -6.715  -2.032  23.693
   74    H1*    T   7           H1*        T   7  -5.172  -2.088  21.955
   75    H3     T   7           H3         T   7  -1.260  -0.646  23.526
   76   1H5M    T   7          1H5M        T   7  -3.924   3.786  22.790
   77   2H5M    T   7          2H5M        T   7  -2.753   3.686  24.127
   78   3H5M    T   7          3H5M        T   7  -4.483   3.401  24.436
   79    H6     T   7           H6         T   7  -5.483   1.532  22.820
   80   1H5*    T   8          1H5*        T   8  -6.377  -4.201  22.359
   81   2H5*    T   8          2H5*        T   8  -7.439  -5.571  22.736
   82    H4*    T   8           H4*        T   8  -5.316  -6.217  23.572
   83    H3*    T   8           H3*        T   8  -7.323  -5.678  25.486
   84   1H2*    T   8          1H2*        T   8  -6.234  -4.120  26.807
   85   2H2*    T   8          2H2*        T   8  -5.251  -5.529  27.345
   86    H1*    T   8           H1*        T   8  -3.533  -5.064  25.840
   87    H3     T   8           H3         T   8  -1.313  -1.277  26.721
   88   1H5M    T   8          1H5M        T   8  -5.156   1.282  26.821
   89   2H5M    T   8          2H5M        T   8  -6.352   0.059  27.317
   90   3H5M    T   8          3H5M        T   8  -6.118   0.428  25.593
   91    H6     T   8           H6         T   8  -5.960  -2.268  26.028
   92   1H5*    C   9          1H5*        C   9  -3.398  -7.993  26.401
   93   2H5*    C   9          2H5*        C   9  -3.679  -9.348  27.516
   94    H4*    C   9           H4*        C   9  -1.536  -8.234  28.008
   95    H3*    C   9           H3*        C   9  -3.651  -8.516  29.953
   96    H1*    C   9           H1*        C   9  -0.841  -5.950  29.610
   97   1H4     C   9          1H4         C   9  -2.623   0.140  30.066
   98   2H4     C   9          2H4         C   9  -4.305  -0.266  29.787
   99    H5     C   9           H5         C   9  -5.081  -2.532  29.469
  100    H6     C   9           H6         C   9  -4.408  -4.884  29.357
  101   1H2*    C   9          1H2*        C   9  -3.510  -6.438  30.939
  102   2H2*    C   9          2H2*        C   9  -1.871  -6.931  31.460
  103   1H5*    G  10          1H5*        G  10   0.887  -7.739  31.072
  104   2H5*    G  10          2H5*        G  10   1.243  -9.142  32.104
  105    H4*    G  10           H4*        G  10   2.539  -7.331  32.951
  106    H3*    G  10           H3*        G  10   0.538  -8.480  34.573
  107    H1*    G  10           H1*        G  10   1.569  -4.783  34.566
  108    H8     G  10           H8         G  10  -2.098  -5.529  33.481
  109    H1     G  10           H1         G  10  -0.507   0.658  33.716
  110   1H2     G  10          1H2         G  10   2.663  -0.509  34.557
  111   2H2     G  10          2H2         G  10   1.630   0.874  34.267
  112   1H2*    G  10          1H2*        G  10  -0.774  -6.620  35.015
  113   2H2*    G  10          2H2*        G  10   0.579  -6.197  36.118
  114   1H5*    C  11          1H5*        C  11   3.574  -5.599  35.923
  115   2H5*    C  11          2H5*        C  11   4.505  -5.987  37.380
  116    H4*    C  11           H4*        C  11   4.197  -3.579  37.228
  117    H3*    C  11           H3*        C  11   2.989  -5.045  39.447
  118    H1*    C  11           H1*        C  11   2.051  -1.741  37.709
  119   1H4     C  11          1H4         C  11  -4.091  -1.158  36.344
  120   2H4     C  11          2H4         C  11  -4.348  -2.889  36.433
  121    H5     C  11           H5         C  11  -2.597  -4.456  37.015
  122    H6     C  11           H6         C  11  -0.239  -4.686  37.627
  123   1H2*    C  11          1H2*        C  11   1.042  -3.872  39.597
  124   2H2*    C  11          2H2*        C  11   2.037  -2.423  39.972
  125   1H5*    G  12          1H5*        G  12   4.324  -0.509  40.030
  126   2H5*    G  12          2H5*        G  12   5.057  -0.446  41.647
  127    H4*    G  12           H4*        G  12   3.646   1.536  41.215
  128    H3*    G  12           H3*        G  12   3.199  -0.303  43.414
  129    H1*    G  12           H1*        G  12   0.709   1.948  41.505
  130    H8     G  12           H8         G  12   0.103  -1.908  41.699
  131    H1     G  12           H1         G  12  -4.682   1.587  39.275
  132   1H2     G  12          1H2         G  12  -2.563   4.291  39.832
  133   2H2     G  12          2H2         G  12  -4.115   3.731  39.258
  134    H3T    G  12           H3T        G  12   3.086   1.729  44.517
  135   1H2*    G  12          1H2*        G  12   0.931  -0.356  43.429
  136   2H2*    G  12          2H2*        G  12   0.962   1.409  43.762
  137   1H5*    C  13          1H5*        C  13 -11.695   6.653  40.431
  138   2H5*    C  13          2H5*        C  13 -11.468   7.779  39.076
  139    H4*    C  13           H4*        C  13  -9.470   7.785  40.567
  140    H3*    C  13           H3*        C  13  -9.498   7.311  37.760
  141    H1*    C  13           H1*        C  13  -7.060   5.868  40.426
  142   1H4     C  13          1H4         C  13  -6.307  -0.401  39.785
  143   2H4     C  13          2H4         C  13  -7.827  -0.556  38.930
  144    H5     C  13           H5         C  13  -9.244   1.322  38.404
  145    H6     C  13           H6         C  13  -9.517   3.748  38.596
  146    H5T    C  13           H5T        C  13 -10.837   5.975  37.813
  147   1H2*    C  13          1H2*        C  13  -8.148   5.473  37.643
  148   2H2*    C  13          2H2*        C  13  -6.800   6.557  38.129
  149   1H5*    G  14          1H5*        G  14  -5.262   8.215  39.429
  150   2H5*    G  14          2H5*        G  14  -5.016   9.842  38.764
  151    H4*    G  14           H4*        G  14  -2.871   8.786  38.756
  152    H3*    G  14           H3*        G  14  -4.011   9.500  36.295
  153    H1*    G  14           H1*        G  14  -1.883   6.380  36.905
  154    H8     G  14           H8         G  14  -5.579   5.632  35.889
  155    H1     G  14           H1         G  14  -1.844   0.519  36.815
  156   1H2     G  14          1H2         G  14   0.581   2.866  37.707
  157   2H2     G  14          2H2         G  14   0.175   1.175  37.490
  158   1H2*    G  14          1H2*        G  14  -4.235   7.412  35.309
  159   2H2*    G  14          2H2*        G  14  -2.479   7.613  35.009
  160   1H5*    C  15          1H5*        C  15   0.390   8.230  37.101
  161   2H5*    C  15          2H5*        C  15   1.529   9.223  36.165
  162    H4*    C  15           H4*        C  15   2.447   6.970  36.543
  163    H3*    C  15           H3*        C  15   2.102   8.064  33.921
  164    H1*    C  15           H1*        C  15   1.972   4.401  35.114
  165   1H4     C  15          1H4         C  15  -3.088   1.180  33.031
  166   2H4     C  15          2H4         C  15  -3.958   2.657  32.664
  167    H5     C  15           H5         C  15  -3.007   4.859  32.968
  168    H6     C  15           H6         C  15  -1.035   6.103  33.725
  169   1H2*    C  15          1H2*        C  15   1.174   6.254  32.865
  170   2H2*    C  15          2H2*        C  15   2.744   5.436  33.149
  171   1H5*    G  16          1H5*        G  16   4.944   4.361  34.849
  172   2H5*    G  16          2H5*        G  16   6.503   4.963  34.254
  173    H4*    G  16           H4*        G  16   6.442   2.577  33.899
  174    H3*    G  16           H3*        G  16   6.877   4.312  31.779
  175    H1*    G  16           H1*        G  16   4.861   1.122  31.496
  176    H8     G  16           H8         G  16   2.677   4.282  31.026
  177    H1     G  16           H1         G  16  -0.429  -1.278  30.462
  178   1H2     G  16          1H2         G  16   2.629  -2.712  31.296
  179   2H2     G  16          2H2         G  16   0.950  -2.963  30.868
  180   1H2*    G  16          1H2*        G  16   4.835   4.039  30.663
  181   2H2*    G  16          2H2*        G  16   5.759   2.673  29.936
  182   1H5*    A  17          1H5*        A  17   7.038  -0.296  31.623
  183   2H5*    A  17          2H5*        A  17   8.668  -0.702  31.056
  184    H4*    A  17           H4*        A  17   7.287  -2.600  30.625
  185    H3*    A  17           H3*        A  17   8.513  -1.315  28.464
  186    H1*    A  17           H1*        A  17   4.971  -2.799  28.323
  187    H8     A  17           H8         A  17   5.115   1.107  28.397
  188   1H6     A  17          1H6         A  17   0.491   1.904  27.283
  189   2H6     A  17          2H6         A  17  -0.868   0.860  26.930
  190    H2     A  17           H2         A  17   0.646  -3.367  27.243
  191   1H2*    A  17          1H2*        A  17   6.664  -0.504  27.334
  192   2H2*    A  17          2H2*        A  17   6.584  -2.197  26.739
  193   1H5*    A  18          1H5*        A  18   6.092  -5.328  28.030
  194   2H5*    A  18          2H5*        A  18   7.210  -6.446  27.216
  195    H4*    A  18           H4*        A  18   4.908  -7.032  26.676
  196    H3*    A  18           H3*        A  18   6.846  -6.535  24.709
  197    H1*    A  18           H1*        A  18   3.131  -5.595  24.399
  198    H8     A  18           H8         A  18   5.591  -2.555  24.518
  199   1H6     A  18          1H6         A  18   2.257   0.888  23.922
  200   2H6     A  18          2H6         A  18   0.518   0.867  23.727
  201    H2     A  18           H2         A  18  -0.746  -3.449  23.904
  202   1H2*    A  18          1H2*        A  18   5.905  -4.714  23.622
  203   2H2*    A  18          2H2*        A  18   4.858  -5.970  22.888
  204   1H5*    T  19          1H5*        T  19   2.758  -8.199  24.017
  205   2H5*    T  19          2H5*        T  19   2.707  -9.686  23.043
  206    H4*    T  19           H4*        T  19   0.650  -8.436  22.686
  207    H3*    T  19           H3*        T  19   2.458  -8.927  20.497
  208   1H2*    T  19          1H2*        T  19   2.434  -6.864  19.523
  209   2H2*    T  19          2H2*        T  19   0.699  -7.156  19.179
  210    H1*    T  19           H1*        T  19  -0.003  -6.036  21.091
  211    H3     T  19           H3         T  19   0.686  -1.676  20.484
  212   1H5M    T  19          1H5M        T  19   5.287  -2.086  20.541
  213   2H5M    T  19          2H5M        T  19   5.480  -3.738  19.907
  214   3H5M    T  19          3H5M        T  19   5.452  -3.457  21.665
  215    H6     T  19           H6         T  19   3.674  -5.410  20.937
  216   1H5*    T  20          1H5*        T  20  -1.673  -7.557  20.089
  217   2H5*    T  20          2H5*        T  20  -2.667  -8.784  19.282
  218    H4*    T  20           H4*        T  20  -3.668  -6.720  18.681
  219    H3*    T  20           H3*        T  20  -2.363  -8.147  16.620
  220   1H2*    T  20          1H2*        T  20  -0.925  -6.515  15.827
  221   2H2*    T  20          2H2*        T  20  -2.426  -5.761  15.179
  222    H1*    T  20           H1*        T  20  -2.638  -4.321  17.000
  223    H3     T  20           H3         T  20   0.584  -1.222  17.253
  224   1H5M    T  20          1H5M        T  20   3.211  -5.679  17.937
  225   2H5M    T  20          2H5M        T  20   3.984  -4.341  17.059
  226   3H5M    T  20          3H5M        T  20   3.181  -5.651  16.160
  227    H6     T  20           H6         T  20   0.658  -6.016  16.997
  228   1H5*    C  21          1H5*        C  21  -5.378  -4.689  15.892
  229   2H5*    C  21          2H5*        C  21  -6.434  -5.019  14.502
  230    H4*    C  21           H4*        C  21  -5.806  -2.637  14.583
  231    H3*    C  21           H3*        C  21  -5.259  -4.335  12.312
  232    H1*    C  21           H1*        C  21  -3.537  -1.176  13.598
  233   1H4     C  21          1H4         C  21   2.771  -3.265  14.015
  234   2H4     C  21          2H4         C  21   2.797  -1.514  14.089
  235    H5     C  21           H5         C  21   0.740  -4.546  13.755
  236    H6     C  21           H6         C  21  -1.692  -4.418  13.498
  237   1H2*    C  21          1H2*        C  21  -3.149  -3.567  11.793
  238   2H2*    C  21          2H2*        C  21  -3.936  -1.998  11.451
  239   1H5*    G  22          1H5*        G  22  -5.422   0.391  12.099
  240   2H5*    G  22          2H5*        G  22  -6.693   0.647  10.883
  241    H4*    G  22           H4*        G  22  -5.139   2.430  10.617
  242    H3*    G  22           H3*        G  22  -5.492   0.585   8.510
  243    H1*    G  22           H1*        G  22  -2.212   2.361   9.417
  244    H8     G  22           H8         G  22  -2.200  -1.521   9.760
  245    H1     G  22           H1         G  22   3.371   1.365  10.984
  246   1H2     G  22          1H2         G  22   3.140   3.565  10.819
  247   2H2     G  22          2H2         G  22   1.610   4.315  10.417
  248   1H2*    G  22          1H2*        G  22  -3.321  -0.181   8.247
  249   2H2*    G  22          2H2*        G  22  -3.076   1.423   7.478
  250   1H5*    C  23          1H5*        C  23  -3.302   4.385   8.222
  251   2H5*    C  23          2H5*        C  23  -3.680   5.475   6.877
  252    H4*    C  23           H4*        C  23  -1.325   5.677   7.449
  253    H3*    C  23           H3*        C  23  -2.079   4.629   4.826
  254    H1*    C  23           H1*        C  23   1.042   4.124   7.024
  255   1H4     C  23          1H4         C  23   2.929  -1.887   7.521
  256   2H4     C  23          2H4         C  23   1.354  -2.494   7.051
  257    H5     C  23           H5         C  23  -0.490  -1.050   6.441
  258    H6     C  23           H6         C  23  -1.207   1.273   6.164
  259   1H2*    C  23          1H2*        C  23  -0.438   3.063   4.615
  260   2H2*    C  23          2H2*        C  23   0.749   4.409   4.696
  261   1H5*    G  24          1H5*        G  24   1.993   7.018   5.358
  262   2H5*    G  24          2H5*        G  24   2.122   8.056   3.922
  263    H4*    G  24           H4*        G  24   4.303   7.057   4.513
  264    H3*    G  24           H3*        G  24   3.001   6.654   1.948
  265    H1*    G  24           H1*        G  24   5.488   4.408   3.867
  266    H8     G  24           H8         G  24   1.994   3.012   2.813
  267    H1     G  24           H1         G  24   6.170  -1.270   5.094
  268   1H2     G  24          1H2         G  24   8.304   1.461   5.422
  269   2H2     G  24          2H2         G  24   8.073  -0.260   5.622
  270    H3T    G  24           H3T        G  24   4.599   8.207   2.398
  271   1H2*    G  24          1H2*        G  24   3.545   4.486   1.571
  272   2H2*    G  24          2H2*        G  24   5.271   4.981   1.614
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   8.363   5.100   0.785
    2   2H5*    C   1          2H5*        C   1   9.025   5.991   2.171
    3    H4*    C   1           H4*        C   1   6.838   6.957   1.469
    4    H3*    C   1           H3*        C   1   7.548   6.062   4.074
    5    H2*    C   1           H2*        C   1   5.692   4.831   4.598
    6    H1*    C   1           H1*        C   1   4.045   6.051   2.388
    7   1H4     C   1          1H4         C   1   1.090   0.472   3.050
    8   2H4     C   1          2H4         C   1   2.600  -0.360   3.355
    9    H5     C   1           H5         C   1   4.734   0.759   3.427
   10    H6     C   1           H6         C   1   5.879   2.916   3.230
   11    H5T    C   1           H5T        C   1   8.175   4.349   3.515
   12   2H2*    C   1          2H2*        C   1   4.804   6.393   4.651
   13   1H5*    G   2          1H5*        G   2   3.723   8.675   3.991
   14   2H5*    G   2          2H5*        G   2   4.326  10.155   4.764
   15    H4*    G   2           H4*        G   2   2.048   9.909   5.460
   16    H3*    G   2           H3*        G   2   4.064   9.807   7.405
   17    H2*    G   2           H2*        G   2   3.787   7.637   8.179
   18    H1*    G   2           H1*        G   2   0.849   7.749   7.465
   19    H8     G   2           H8         G   2   4.097   5.602   7.183
   20    H1     G   2           H1         G   2  -1.403   2.340   7.394
   21   1H2     G   2          1H2         G   2  -2.893   5.495   7.391
   22   2H2     G   2          2H2         G   2  -3.120   3.758   7.424
   23   2H2*    G   2          2H2*        G   2   2.426   8.378   9.081
   24   1H5*    C   3          1H5*        C   3  -0.502  10.218   8.081
   25   2H5*    C   3          2H5*        C   3  -0.873  11.391   9.365
   26    H4*    C   3           H4*        C   3  -2.617   9.658   9.248
   27    H3*    C   3           H3*        C   3  -1.138  10.173  11.642
   28    H2*    C   3           H2*        C   3  -0.658   8.023  12.265
   29    H1*    C   3           H1*        C   3  -2.718   6.904  10.356
   30   1H4     C   3          1H4         C   3   2.588   2.905  10.684
   31   2H4     C   3          2H4         C   3   1.168   1.882  10.597
   32    H5     C   3           H5         C   3   2.475   5.322  10.740
   33    H6     C   3           H6         C   3   0.972   7.258  10.698
   34   2H2*    C   3          2H2*        C   3  -2.423   7.829  12.503
   35   1H5*    G   4          1H5*        G   4  -5.320   7.840  11.599
   36   2H5*    G   4          2H5*        G   4  -6.267   8.825  12.730
   37    H4*    G   4           H4*        G   4  -6.979   6.523  12.942
   38    H3*    G   4           H3*        G   4  -6.091   7.959  15.139
   39    H2*    G   4           H2*        G   4  -4.047   6.854  15.492
   40    H1*    G   4           H1*        G   4  -5.393   4.278  14.618
   41    H8     G   4           H8         G   4  -2.166   6.408  14.422
   42    H1     G   4           H1         G   4  -1.322   0.115  13.672
   43   1H2     G   4          1H2         G   4  -3.280  -0.922  13.702
   44   2H2     G   4          2H2         G   4  -4.789  -0.058  13.900
   45   2H2*    G   4          2H2*        G   4  -5.137   5.780  16.442
   46   1H5*    A   5          1H5*        A   5  -7.854   3.677  15.167
   47   2H5*    A   5          2H5*        A   5  -9.261   3.757  16.241
   48    H4*    A   5           H4*        A   5  -8.613   1.464  16.118
   49    H3*    A   5           H3*        A   5  -8.554   2.745  18.601
   50    H2*    A   5           H2*        A   5  -6.286   2.719  19.056
   51    H1*    A   5           H1*        A   5  -5.923   0.167  17.485
   52    H8     A   5           H8         A   5  -4.677   3.872  17.599
   53   1H6     A   5          1H6         A   5   0.021   2.942  17.037
   54   2H6     A   5          2H6         A   5   0.952   1.472  16.853
   55    H2     A   5           H2         A   5  -1.991  -1.931  16.936
   56   2H2*    A   5          2H2*        A   5  -6.641   1.025  19.539
   57   1H5*    A   6          1H5*        A   6  -7.690  -1.841  18.043
   58   2H5*    A   6          2H5*        A   6  -8.825  -2.649  19.144
   59    H4*    A   6           H4*        A   6  -6.845  -4.032  18.856
   60    H3*    A   6           H3*        A   6  -7.745  -3.214  21.385
   61    H2*    A   6           H2*        A   6  -5.917  -1.988  22.116
   62    H1*    A   6           H1*        A   6  -4.053  -3.620  20.400
   63    H8     A   6           H8         A   6  -5.141   0.046  21.228
   64   1H6     A   6          1H6         A   6   0.806   1.429  20.333
   65   2H6     A   6          2H6         A   6  -0.773   2.054  20.759
   66    H2     A   6           H2         A   6   0.285  -2.976  19.571
   67   2H2*    A   6          2H2*        A   6  -5.221  -3.615  22.412
   68   1H5*    T   7          1H5*        T   7  -4.579  -6.224  20.558
   69   2H5*    T   7          2H5*        T   7  -4.744  -7.779  21.406
   70    H4*    T   7           H4*        T   7  -2.383  -7.335  21.043
   71    H3*    T   7           H3*        T   7  -3.426  -7.519  23.725
   72   1H2*    T   7          1H2*        T   7  -2.339  -5.744  24.659
   73   2H2*    T   7          2H2*        T   7  -0.819  -6.645  24.356
   74    H1*    T   7           H1*        T   7  -0.432  -5.564  22.330
   75    H3     T   7           H3         T   7   0.797  -1.381  23.261
   76   1H5M    T   7          1H5M        T   7  -4.403  -1.237  23.801
   77   2H5M    T   7          2H5M        T   7  -3.388  -0.177  24.810
   78   3H5M    T   7          3H5M        T   7  -3.958  -1.738  25.450
   79    H6     T   7           H6         T   7  -3.351  -3.747  23.791
   80   1H5*    T   8          1H5*        T   8   0.808  -7.661  22.637
   81   2H5*    T   8          2H5*        T   8   1.500  -9.252  23.015
   82    H4*    T   8           H4*        T   8   3.312  -7.740  23.257
   83    H3*    T   8           H3*        T   8   2.318  -8.938  25.622
   84   1H2*    T   8          1H2*        T   8   1.939  -7.061  26.917
   85   2H2*    T   8          2H2*        T   8   3.734  -6.953  26.981
   86    H1*    T   8           H1*        T   8   3.832  -5.413  25.240
   87    H3     T   8           H3         T   8   2.072  -1.425  26.248
   88   1H5M    T   8          1H5M        T   8  -2.074  -4.583  26.424
   89   2H5M    T   8          2H5M        T   8  -1.968  -3.230  27.573
   90   3H5M    T   8          3H5M        T   8  -1.458  -4.862  28.068
   91    H6     T   8           H6         T   8   0.335  -5.899  26.382
   92   1H5*    C   9          1H5*        C   9   6.441  -6.842  25.275
   93   2H5*    C   9          2H5*        C   9   7.701  -7.707  26.180
   94    H4*    C   9           H4*        C   9   7.994  -5.267  26.375
   95    H3*    C   9           H3*        C   9   7.649  -7.002  28.655
   96    H2*    C   9           H2*        C   9   6.260  -5.665  29.921
   97    H1*    C   9           H1*        C   9   6.862  -3.297  28.141
   98   1H4     C   9          1H4         C   9   1.049  -1.441  29.922
   99   2H4     C   9          2H4         C   9   0.467  -3.093  29.973
  100    H5     C   9           H5         C   9   1.869  -5.004  29.491
  101    H6     C   9           H6         C   9   4.123  -5.728  28.863
  102   2H2*    C   9          2H2*        C   9   7.624  -4.512  29.984
  103   1H5*    G  10          1H5*        G  10   9.719  -2.655  28.971
  104   2H5*    G  10          2H5*        G  10  11.230  -3.063  29.815
  105    H4*    G  10           H4*        G  10  10.494  -0.913  30.598
  106    H3*    G  10           H3*        G  10  10.779  -3.086  32.386
  107    H2*    G  10           H2*        G  10   8.646  -3.165  33.287
  108    H1*    G  10           H1*        G  10   8.216  -0.253  32.640
  109    H8     G  10           H8         G  10   6.719  -3.821  32.161
  110    H1     G  10           H1         G  10   2.463   0.882  32.932
  111   1H2     G  10          1H2         G  10   5.252   2.961  33.045
  112   2H2     G  10          2H2         G  10   3.508   2.829  33.125
  113   2H2*    G  10          2H2*        G  10   9.196  -1.702  34.173
  114   1H5*    C  11          1H5*        C  11  10.114   1.221  33.460
  115   2H5*    C  11          2H5*        C  11  11.309   1.853  34.606
  116    H4*    C  11           H4*        C  11   9.215   3.046  34.901
  117    H3*    C  11           H3*        C  11  10.243   1.398  37.062
  118    H2*    C  11           H2*        C  11   8.288   0.472  37.778
  119    H1*    C  11           H1*        C  11   6.609   2.356  36.134
  120   1H4     C  11          1H4         C  11   2.654  -2.579  35.965
  121   2H4     C  11          2H4         C  11   3.974  -3.718  35.803
  122    H5     C  11           H5         C  11   6.299  -3.060  35.827
  123    H6     C  11           H6         C  11   7.845  -1.163  35.967
  124   2H2*    C  11          2H2*        C  11   7.748   2.140  38.177
  125   1H5*    G  12          1H5*        G  12   7.649   5.311  38.016
  126   2H5*    G  12          2H5*        G  12   8.470   6.088  39.385
  127    H4*    G  12           H4*        G  12   6.028   6.278  39.606
  128    H3*    G  12           H3*        G  12   7.697   5.025  41.579
  129    H2*    G  12           H2*        G  12   6.497   3.158  42.061
  130    H1*    G  12           H1*        G  12   4.020   4.129  40.670
  131    H8     G  12           H8         G  12   6.868   1.476  40.417
  132    H1     G  12           H1         G  12   0.946  -0.665  39.280
  133   1H2     G  12          1H2         G  12  -0.016   2.642  39.807
  134   2H2     G  12          2H2         G  12  -0.507   1.006  39.433
  135    H3T    G  12           H3T        G  12   5.277   6.509  41.757
  136   2H2*    G  12          2H2*        G  12   5.208   4.251  42.667
  137   1H5*    C  13          1H5*        C  13  -6.143  -4.783  41.927
  138   2H5*    C  13          2H5*        C  13  -7.373  -4.229  40.772
  139    H4*    C  13           H4*        C  13  -6.266  -2.284  41.866
  140    H3*    C  13           H3*        C  13  -6.536  -2.734  39.080
  141    H2*    C  13           H2*        C  13  -4.390  -2.327  38.392
  142    H1*    C  13           H1*        C  13  -3.633  -0.917  40.946
  143   1H4     C  13          1H4         C  13   2.049  -3.032  39.029
  144   2H4     C  13          2H4         C  13   1.348  -4.515  38.411
  145    H5     C  13           H5         C  13  -1.007  -4.995  38.490
  146    H6     C  13           H6         C  13  -3.207  -4.156  39.157
  147    H5T    C  13           H5T        C  13  -4.707  -4.928  40.105
  148   2H2*    C  13          2H2*        C  13  -4.712  -0.605  38.801
  149   1H5*    G  14          1H5*        G  14  -5.228   1.431  40.145
  150   2H5*    G  14          2H5*        G  14  -6.576   2.490  39.682
  151    H4*    G  14           H4*        G  14  -4.585   3.700  39.157
  152    H3*    G  14           H3*        G  14  -6.286   2.965  37.061
  153    H2*    G  14           H2*        G  14  -4.895   1.529  35.879
  154    H1*    G  14           H1*        G  14  -2.478   3.071  36.850
  155    H8     G  14           H8         G  14  -3.967  -0.497  36.299
  156    H1     G  14           H1         G  14   2.418  -0.062  36.136
  157   1H2     G  14          1H2         G  14   1.873   3.276  36.993
  158   2H2     G  14          2H2         G  14   3.038   2.020  36.628
  159   2H2*    G  14          2H2*        G  14  -4.214   3.072  35.268
  160   1H5*    C  15          1H5*        C  15  -2.679   5.905  37.016
  161   2H5*    C  15          2H5*        C  15  -3.099   7.359  36.084
  162    H4*    C  15           H4*        C  15  -0.676   6.990  36.014
  163    H3*    C  15           H3*        C  15  -2.251   7.149  33.656
  164    H2*    C  15           H2*        C  15  -1.503   5.286  32.544
  165    H1*    C  15           H1*        C  15   0.952   5.103  34.298
  166   1H4     C  15          1H4         C  15   0.547  -1.001  32.595
  167   2H4     C  15          2H4         C  15  -1.204  -0.953  32.589
  168    H5     C  15           H5         C  15  -2.473   1.046  33.085
  169    H6     C  15           H6         C  15  -2.319   3.412  33.723
  170   2H2*    C  15          2H2*        C  15   0.050   6.168  32.402
  171   1H5*    G  16          1H5*        G  16   2.571   7.574  33.548
  172   2H5*    G  16          2H5*        G  16   2.716   9.149  32.743
  173    H4*    G  16           H4*        G  16   4.577   7.759  32.059
  174    H3*    G  16           H3*        G  16   2.887   8.917  30.194
  175    H2*    G  16           H2*        G  16   1.788   6.980  29.445
  176    H1*    G  16           H1*        G  16   4.395   5.469  29.798
  177    H8     G  16           H8         G  16   0.551   5.338  30.220
  178    H1     G  16           H1         G  16   3.408  -0.343  29.547
  179   1H2     G  16          1H2         G  16   6.359   1.499  29.544
  180   2H2     G  16          2H2         G  16   5.605  -0.077  29.437
  181   2H2*    G  16          2H2*        G  16   3.223   6.949  28.358
  182   1H5*    A  17          1H5*        A  17   6.724   6.441  29.336
  183   2H5*    A  17          2H5*        A  17   7.764   7.542  28.415
  184    H4*    A  17           H4*        A  17   8.525   5.324  27.963
  185    H3*    A  17           H3*        A  17   7.595   6.884  25.841
  186    H2*    A  17           H2*        A  17   5.703   5.704  25.222
  187    H1*    A  17           H1*        A  17   6.935   3.104  26.134
  188    H8     A  17           H8         A  17   3.826   5.391  26.755
  189   1H6     A  17          1H6         A  17   0.505   1.894  26.781
  190   2H6     A  17          2H6         A  17   0.572   0.158  26.576
  191    H2     A  17           H2         A  17   4.901  -0.896  25.949
  192   2H2*    A  17          2H2*        A  17   6.912   4.664  24.392
  193   1H5*    A  18          1H5*        A  18   9.491   2.616  25.288
  194   2H5*    A  18          2H5*        A  18  10.806   2.856  24.118
  195    H4*    A  18           H4*        A  18   9.969   0.579  23.943
  196    H3*    A  18           H3*        A  18  10.073   2.308  21.736
  197    H2*    A  18           H2*        A  18   7.826   2.426  21.175
  198    H1*    A  18           H1*        A  18   7.327  -0.310  22.338
  199    H8     A  18           H8         A  18   6.109   3.405  22.441
  200   1H6     A  18          1H6         A  18   1.417   2.450  23.082
  201   2H6     A  18          2H6         A  18   0.494   0.971  23.239
  202    H2     A  18           H2         A  18   3.443  -2.419  22.977
  203   2H2*    A  18          2H2*        A  18   8.145   0.807  20.467
  204   1H5*    T  19          1H5*        T  19   9.207  -2.052  21.626
  205   2H5*    T  19          2H5*        T  19  10.156  -3.003  20.460
  206    H4*    T  19           H4*        T  19   7.981  -4.054  20.744
  207    H3*    T  19           H3*        T  19   8.765  -3.012  18.172
  208   1H2*    T  19          1H2*        T  19   6.809  -1.999  17.582
  209   2H2*    T  19          2H2*        T  19   6.082  -3.639  17.566
  210    H1*    T  19           H1*        T  19   5.294  -3.448  19.749
  211    H3     T  19           H3         T  19   1.865  -0.600  19.669
  212   1H5M    T  19          1H5M        T  19   5.845   2.281  17.826
  213   2H5M    T  19          2H5M        T  19   6.033   2.556  19.575
  214   3H5M    T  19          3H5M        T  19   4.537   3.058  18.750
  215    H6     T  19           H6         T  19   6.581  -0.036  18.946
  216   1H5*    T  20          1H5*        T  20   5.423  -5.752  18.904
  217   2H5*    T  20          2H5*        T  20   5.728  -7.319  18.129
  218    H4*    T  20           H4*        T  20   3.366  -7.089  18.106
  219    H3*    T  20           H3*        T  20   4.693  -6.954  15.610
  220   1H2*    T  20          1H2*        T  20   3.851  -4.964  14.793
  221   2H2*    T  20          2H2*        T  20   2.310  -5.879  14.632
  222    H1*    T  20           H1*        T  20   1.484  -5.091  16.659
  223    H3     T  20           H3         T  20   0.616  -0.702  16.679
  224   1H5M    T  20          1H5M        T  20   5.343  -1.055  14.405
  225   2H5M    T  20          2H5M        T  20   5.793  -0.834  16.111
  226   3H5M    T  20          3H5M        T  20   4.867   0.428  15.267
  227    H6     T  20           H6         T  20   4.556  -3.257  15.680
  228   1H5*    C  21          1H5*        C  21   0.158  -7.697  16.144
  229   2H5*    C  21          2H5*        C  21  -0.471  -8.895  14.992
  230    H4*    C  21           H4*        C  21  -2.090  -7.067  15.337
  231    H3*    C  21           H3*        C  21  -1.022  -7.767  12.750
  232    H2*    C  21           H2*        C  21  -0.714  -5.645  11.900
  233    H1*    C  21           H1*        C  21  -2.395  -4.476  14.124
  234   1H4     C  21          1H4         C  21   2.626  -0.327  12.753
  235   2H4     C  21          2H4         C  21   1.228   0.655  13.144
  236    H5     C  21           H5         C  21   2.573  -2.745  12.714
  237    H6     C  21           H6         C  21   1.166  -4.724  13.034
  238   2H2*    C  21          2H2*        C  21  -2.489  -5.473  12.012
  239   1H5*    G  22          1H5*        G  22  -5.174  -5.392  13.324
  240   2H5*    G  22          2H5*        G  22  -6.273  -6.382  12.336
  241    H4*    G  22           H4*        G  22  -6.938  -4.087  12.105
  242    H3*    G  22           H3*        G  22  -6.093  -5.580   9.852
  243    H2*    G  22           H2*        G  22  -4.399  -4.223   9.057
  244    H1*    G  22           H1*        G  22  -5.605  -1.815  10.407
  245    H8     G  22           H8         G  22  -2.349  -3.935  10.092
  246    H1     G  22           H1         G  22  -1.485   2.366  10.731
  247   1H2     G  22          1H2         G  22  -3.442   3.379  10.979
  248   2H2     G  22          2H2         G  22  -4.954   2.497  10.993
  249   2H2*    G  22          2H2*        G  22  -5.761  -3.176   8.530
  250   1H5*    C  23          1H5*        C  23  -8.127  -1.644   9.731
  251   2H5*    C  23          2H5*        C  23  -9.532  -1.511   8.659
  252    H4*    C  23           H4*        C  23  -8.390   0.634   8.771
  253    H3*    C  23           H3*        C  23  -8.508  -0.801   6.235
  254    H2*    C  23           H2*        C  23  -6.410  -0.329   5.475
  255    H1*    C  23           H1*        C  23  -5.960   1.733   7.630
  256   1H4     C  23          1H4         C  23   0.080   0.009   6.948
  257   2H4     C  23          2H4         C  23  -0.351  -1.672   6.708
  258    H5     C  23           H5         C  23  -2.641  -2.454   6.654
  259    H6     C  23           H6         C  23  -4.990  -1.790   6.854
  260   2H2*    C  23          2H2*        C  23  -6.887   1.404   5.492
  261   1H5*    G  24          1H5*        G  24  -8.231   3.966   6.319
  262   2H5*    G  24          2H5*        G  24  -9.373   4.508   5.072
  263    H4*    G  24           H4*        G  24  -7.325   5.875   5.046
  264    H3*    G  24           H3*        G  24  -8.247   4.356   2.769
  265    H2*    G  24           H2*        G  24  -6.277   3.531   1.993
  266    H1*    G  24           H1*        G  24  -4.630   5.330   3.753
  267    H8     G  24           H8         G  24  -5.600   1.576   3.276
  268    H1     G  24           H1         G  24   0.627   2.788   4.138
  269   1H2     G  24          1H2         G  24  -0.379   6.114   4.367
  270   2H2     G  24          2H2         G  24   0.941   4.968   4.398
  271    H3T    G  24           H3T        G  24  -6.979   6.887   3.052
  272   2H2*    G  24          2H2*        G  24  -5.767   5.233   1.720
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1  15.625  -0.843   7.341
    2   2H5*    C   1          2H5*        C   1  15.967  -0.276   8.991
    3    H4*    C   1           H4*        C   1  15.040   1.579   7.603
    4    H3*    C   1           H3*        C   1  14.020   0.652  10.097
    5    H2*    C   1           H2*        C   1  11.795   0.548   9.607
    6    H1*    C   1           H1*        C   1  12.087   2.225   7.115
    7   1H4     C   1          1H4         C   1   6.857  -1.057   5.652
    8   2H4     C   1          2H4         C   1   7.485  -2.511   6.400
    9    H5     C   1           H5         C   1   9.623  -2.605   7.515
   10    H6     C   1           H6         C   1  11.629  -1.336   8.123
   11    H5T    C   1           H5T        C   1  13.585  -1.584   8.190
   12   2H2*    C   1          2H2*        C   1  11.831   2.342   9.517
   13   1H5*    G   2          1H5*        G   2  12.506   4.908   8.862
   14   2H5*    G   2          2H5*        G   2  13.352   5.889  10.076
   15    H4*    G   2           H4*        G   2  11.229   6.945   9.670
   16    H3*    G   2           H3*        G   2  11.816   5.994  12.238
   17    H2*    G   2           H2*        G   2  10.178   4.369  12.476
   18    H1*    G   2           H1*        G   2   8.350   5.890  10.611
   19    H8     G   2           H8         G   2   9.907   2.390  11.349
   20    H1     G   2           H1         G   2   4.030   2.352   8.835
   21   1H2     G   2          1H2         G   2   4.400   5.813   8.707
   22   2H2     G   2          2H2         G   2   3.381   4.427   8.383
   23   2H2*    G   2          2H2*        G   2   9.130   5.784  12.814
   24   1H5*    C   3          1H5*        C   3   8.199   8.625  10.983
   25   2H5*    C   3          2H5*        C   3   8.032   9.972  12.129
   26    H4*    C   3           H4*        C   3   5.840   9.429  11.222
   27    H3*    C   3           H3*        C   3   6.374   9.115  14.044
   28    H2*    C   3           H2*        C   3   5.196   7.209  14.439
   29    H1*    C   3           H1*        C   3   3.912   7.236  11.718
   30   1H4     C   3          1H4         C   3   5.852   1.089  13.382
   31   2H4     C   3          2H4         C   3   4.291   0.940  12.600
   32    H5     C   3           H5         C   3   6.941   3.211  13.770
   33    H6     C   3           H6         C   3   6.758   5.633  13.495
   34   2H2*    C   3          2H2*        C   3   3.727   8.078  13.893
   35   1H5*    G   4          1H5*        G   4   2.262   9.648  12.334
   36   2H5*    G   4          2H5*        G   4   1.436  11.011  13.116
   37    H4*    G   4           H4*        G   4  -0.201   9.297  12.627
   38    H3*    G   4           H3*        G   4   0.114  10.261  15.212
   39    H2*    G   4           H2*        G   4   1.141   8.376  16.165
   40    H1*    G   4           H1*        G   4  -0.640   6.668  14.403
   41    H8     G   4           H8         G   4   2.895   7.004  15.962
   42    H1     G   4           H1         G   4   1.026   1.070  14.467
   43   1H2     G   4          1H2         G   4  -0.935   1.150  13.432
   44   2H2     G   4          2H2         G   4  -1.762   2.661  13.126
   45   2H2*    G   4          2H2*        G   4  -0.594   7.943  16.400
   46   1H5*    A   5          1H5*        A   5  -2.990   7.169  13.703
   47   2H5*    A   5          2H5*        A   5  -4.590   7.796  14.149
   48    H4*    A   5           H4*        A   5  -4.757   5.400  13.818
   49    H3*    A   5           H3*        A   5  -5.502   6.562  16.252
   50    H2*    A   5           H2*        A   5  -3.896   5.614  17.650
   51    H1*    A   5           H1*        A   5  -3.845   3.163  15.866
   52    H8     A   5           H8         A   5  -1.413   5.828  17.387
   53   1H6     A   5          1H6         A   5   2.043   2.738  18.770
   54   2H6     A   5          2H6         A   5   2.210   0.998  18.682
   55    H2     A   5           H2         A   5  -1.502  -0.556  16.674
   56   2H2*    A   5          2H2*        A   5  -5.042   4.234  17.604
   57   1H5*    A   6          1H5*        A   6  -6.417   1.923  15.155
   58   2H5*    A   6          2H5*        A   6  -8.141   1.767  15.564
   59    H4*    A   6           H4*        A   6  -6.964  -0.371  15.872
   60    H3*    A   6           H3*        A   6  -8.567   0.821  17.833
   61    H2*    A   6           H2*        A   6  -7.012   1.203  19.507
   62    H1*    A   6           H1*        A   6  -5.336  -1.119  18.568
   63    H8     A   6           H8         A   6  -5.122   2.719  19.374
   64   1H6     A   6          1H6         A   6   0.452   1.292  21.619
   65   2H6     A   6          2H6         A   6  -0.696   2.581  21.331
   66    H2     A   6           H2         A   6  -1.414  -2.482  20.030
   67   2H2*    A   6          2H2*        A   6  -7.217  -0.551  19.808
   68   1H5*    T   7          1H5*        T   7  -6.680  -3.361  18.048
   69   2H5*    T   7          2H5*        T   7  -7.909  -4.579  18.449
   70    H4*    T   7           H4*        T   7  -5.739  -5.333  19.271
   71    H3*    T   7           H3*        T   7  -7.909  -4.893  21.082
   72   1H2*    T   7          1H2*        T   7  -6.855  -3.652  22.691
   73   2H2*    T   7          2H2*        T   7  -5.903  -5.129  23.038
   74    H1*    T   7           H1*        T   7  -4.138  -4.483  21.708
   75    H3     T   7           H3         T   7  -2.004  -1.092  23.631
   76   1H5M    T   7          1H5M        T   7  -5.565   1.805  23.239
   77   2H5M    T   7          2H5M        T   7  -6.934   0.667  23.251
   78   3H5M    T   7          3H5M        T   7  -6.253   1.225  21.704
   79    H6     T   7           H6         T   7  -6.427  -1.529  21.817
   80   1H5*    T   8          1H5*        T   8  -4.089  -6.859  22.227
   81   2H5*    T   8          2H5*        T   8  -4.423  -8.556  22.621
   82    H4*    T   8           H4*        T   8  -2.554  -7.967  23.970
   83    H3*    T   8           H3*        T   8  -4.996  -8.466  25.311
   84   1H2*    T   8          1H2*        T   8  -5.206  -6.530  26.544
   85   2H2*    T   8          2H2*        T   8  -3.830  -7.193  27.498
   86    H1*    T   8           H1*        T   8  -2.255  -5.936  26.321
   87    H3     T   8           H3         T   8  -2.598  -1.530  26.993
   88   1H5M    T   8          1H5M        T   8  -7.553  -3.059  26.231
   89   2H5M    T   8          2H5M        T   8  -7.076  -2.655  24.566
   90   3H5M    T   8          3H5M        T   8  -7.056  -1.399  25.824
   91    H6     T   8           H6         T   8  -5.710  -4.855  25.483
   92   1H5*    C   9          1H5*        C   9  -0.665  -8.562  27.413
   93   2H5*    C   9          2H5*        C   9  -0.718  -9.893  28.591
   94    H4*    C   9           H4*        C   9   0.632  -8.051  29.462
   95    H3*    C   9           H3*        C   9  -1.734  -9.034  30.807
   96    H2*    C   9           H2*        C   9  -2.611  -7.050  31.550
   97    H1*    C   9           H1*        C   9  -0.099  -5.554  30.874
   98   1H4     C   9          1H4         C   9  -4.225  -0.811  29.865
   99   2H4     C   9          2H4         C   9  -5.423  -1.914  29.216
  100    H5     C   9           H5         C   9  -5.083  -4.296  29.067
  101    H6     C   9           H6         C   9  -3.517  -6.132  29.495
  102   2H2*    C   9          2H2*        C   9  -1.098  -6.852  32.487
  103   1H5*    G  10          1H5*        G  10   1.898  -6.932  33.097
  104   2H5*    G  10          2H5*        G  10   2.255  -8.093  34.397
  105    H4*    G  10           H4*        G  10   2.661  -5.849  35.206
  106    H3*    G  10           H3*        G  10   0.846  -7.596  36.475
  107    H2*    G  10           H2*        G  10  -1.096  -6.353  36.398
  108    H1*    G  10           H1*        G  10   0.431  -3.770  36.204
  109    H8     G  10           H8         G  10  -2.308  -5.981  34.557
  110    H1     G  10           H1         G  10  -3.206   0.324  33.948
  111   1H2     G  10          1H2         G  10  -0.106   0.605  35.509
  112   2H2     G  10          2H2         G  10  -1.484   1.423  34.805
  113   2H2*    G  10          2H2*        G  10  -0.294  -5.397  37.687
  114   1H5*    C  11          1H5*        C  11   2.206  -3.815  37.991
  115   2H5*    C  11          2H5*        C  11   2.898  -3.670  39.615
  116    H4*    C  11           H4*        C  11   1.778  -1.598  39.072
  117    H3*    C  11           H3*        C  11   0.694  -3.250  41.216
  118    H2*    C  11           H2*        C  11  -1.520  -2.923  40.791
  119    H1*    C  11           H1*        C  11  -0.926  -0.680  38.850
  120   1H4     C  11          1H4         C  11  -6.392  -2.577  36.284
  121   2H4     C  11          2H4         C  11  -6.028  -4.264  36.589
  122    H5     C  11           H5         C  11  -4.013  -4.998  37.710
  123    H6     C  11           H6         C  11  -1.934  -4.270  38.765
  124   2H2*    C  11          2H2*        C  11  -1.245  -1.186  41.155
  125   1H5*    G  12          1H5*        G  12   0.015   1.476  41.364
  126   2H5*    G  12          2H5*        G  12   0.290   1.906  43.067
  127    H4*    G  12           H4*        G  12  -1.669   3.099  42.136
  128    H3*    G  12           H3*        G  12  -1.809   1.316  44.426
  129    H2*    G  12           H2*        G  12  -3.813   0.333  44.043
  130    H1*    G  12           H1*        G  12  -4.513   2.244  41.828
  131    H8     G  12           H8         G  12  -3.499  -1.492  42.374
  132    H1     G  12           H1         G  12  -8.640  -0.466  38.700
  133   1H2     G  12          1H2         G  12  -8.008   2.902  39.312
  134   2H2     G  12          2H2         G  12  -9.020   1.712  38.528
  135    H3T    G  12           H3T        G  12  -2.941   3.156  45.249
  136   2H2*    G  12          2H2*        G  12  -4.563   1.961  44.145
  137   1H5*    C  13          1H5*        C  13 -17.135   0.785  37.737
  138   2H5*    C  13          2H5*        C  13 -17.151   1.872  36.332
  139    H4*    C  13           H4*        C  13 -15.716   2.804  38.148
  140    H3*    C  13           H3*        C  13 -14.945   2.323  35.450
  141    H2*    C  13           H2*        C  13 -12.937   1.290  35.779
  142    H1*    C  13           H1*        C  13 -12.744   2.177  38.655
  143   1H4     C  13          1H4         C  13  -9.163  -3.059  38.816
  144   2H4     C  13          2H4         C  13 -10.247  -3.907  37.733
  145    H5     C  13           H5         C  13 -12.216  -2.894  36.776
  146    H6     C  13           H6         C  13 -13.579  -0.861  36.668
  147    H5T    C  13           H5T        C  13 -15.544   0.527  35.405
  148   2H2*    C  13          2H2*        C  13 -12.333   2.871  36.379
  149   1H5*    G  14          1H5*        G  14 -12.033   5.120  37.817
  150   2H5*    G  14          2H5*        G  14 -12.384   6.658  37.003
  151    H4*    G  14           H4*        G  14 -10.055   6.699  37.569
  152    H3*    G  14           H3*        G  14 -10.786   6.783  34.866
  153    H2*    G  14           H2*        G  14  -9.840   4.804  34.109
  154    H1*    G  14           H1*        G  14  -7.707   4.976  36.245
  155    H8     G  14           H8         G  14 -10.362   2.629  34.613
  156    H1     G  14           H1         G  14  -5.076  -0.232  36.793
  157   1H2     G  14          1H2         G  14  -4.188   2.950  37.900
  158   2H2     G  14          2H2         G  14  -3.759   1.256  37.784
  159   2H2*    G  14          2H2*        G  14  -8.332   5.773  34.133
  160   1H5*    C  15          1H5*        C  15  -6.549   7.471  36.660
  161   2H5*    C  15          2H5*        C  15  -5.835   8.924  35.927
  162    H4*    C  15           H4*        C  15  -4.049   7.397  36.571
  163    H3*    C  15           H3*        C  15  -4.447   8.108  33.807
  164    H2*    C  15           H2*        C  15  -4.048   6.088  32.831
  165    H1*    C  15           H1*        C  15  -3.003   4.877  35.380
  166   1H4     C  15          1H4         C  15  -5.565  -0.334  32.772
  167   2H4     C  15          2H4         C  15  -6.916   0.582  32.134
  168    H5     C  15           H5         C  15  -7.140   2.972  32.404
  169    H6     C  15           H6         C  15  -6.120   4.984  33.352
  170   2H2*    C  15          2H2*        C  15  -2.398   6.162  33.524
  171   1H5*    G  16          1H5*        G  16  -0.520   6.488  35.455
  172   2H5*    G  16          2H5*        G  16   0.760   7.652  35.062
  173    H4*    G  16           H4*        G  16   1.698   5.425  34.963
  174    H3*    G  16           H3*        G  16   1.862   7.126  32.776
  175    H2*    G  16           H2*        G  16   0.315   6.054  31.377
  176    H1*    G  16           H1*        G  16   1.307   3.412  32.486
  177    H8     G  16           H8         G  16  -1.805   5.383  31.279
  178    H1     G  16           H1         G  16  -2.218  -0.989  30.931
  179   1H2     G  16          1H2         G  16   0.891  -0.933  32.490
  180   2H2     G  16          2H2         G  16  -0.401  -1.902  31.817
  181   2H2*    G  16          2H2*        G  16   1.810   5.142  30.947
  182   1H5*    A  17          1H5*        A  17   3.650   2.876  33.191
  183   2H5*    A  17          2H5*        A  17   5.390   3.025  32.870
  184    H4*    A  17           H4*        A  17   4.731   0.726  32.495
  185    H3*    A  17           H3*        A  17   5.943   2.203  30.454
  186    H2*    A  17           H2*        A  17   4.183   2.302  28.930
  187    H1*    A  17           H1*        A  17   3.201  -0.385  29.929
  188    H8     A  17           H8         A  17   1.941   3.279  29.375
  189   1H6     A  17          1H6         A  17  -2.306   2.140  27.366
  190   2H6     A  17          2H6         A  17  -3.085   0.624  26.969
  191    H2     A  17           H2         A  17  -0.274  -2.645  28.251
  192   2H2*    A  17          2H2*        A  17   4.783   0.661  28.522
  193   1H5*    A  18          1H5*        A  18   5.144  -2.555  30.116
  194   2H5*    A  18          2H5*        A  18   6.722  -3.183  29.589
  195    H4*    A  18           H4*        A  18   4.887  -4.583  28.742
  196    H3*    A  18           H3*        A  18   6.912  -3.526  27.124
  197    H2*    A  18           H2*        A  18   5.687  -2.153  25.714
  198    H1*    A  18           H1*        A  18   3.250  -3.894  26.032
  199    H8     A  18           H8         A  18   4.448  -0.169  26.375
  200   1H6     A  18          1H6         A  18   0.368   1.822  24.692
  201   2H6     A  18          2H6         A  18  -1.149   1.159  24.123
  202    H2     A  18           H2         A  18  -0.821  -3.314  24.482
  203   2H2*    A  18          2H2*        A  18   5.273  -3.699  24.912
  204   1H5*    T  19          1H5*        T  19   3.632  -6.459  25.810
  205   2H5*    T  19          2H5*        T  19   4.350  -7.869  25.004
  206    H4*    T  19           H4*        T  19   2.106  -7.494  24.118
  207    H3*    T  19           H3*        T  19   4.393  -7.379  22.400
  208   1H2*    T  19          1H2*        T  19   3.965  -5.431  21.279
  209   2H2*    T  19          2H2*        T  19   2.559  -6.285  20.570
  210    H1*    T  19           H1*        T  19   1.079  -5.451  22.126
  211    H3     T  19           H3         T  19   0.456  -1.117  21.368
  212   1H5M    T  19          1H5M        T  19   5.650  -1.472  21.995
  213   2H5M    T  19          2H5M        T  19   5.127  -1.179  23.671
  214   3H5M    T  19          3H5M        T  19   4.792   0.031  22.412
  215    H6     T  19           H6         T  19   4.291  -3.641  22.763
  216   1H5*    T  20          1H5*        T  20   0.204  -7.390  20.961
  217   2H5*    T  20          2H5*        T  20  -0.100  -8.893  20.070
  218    H4*    T  20           H4*        T  20  -1.542  -7.289  19.069
  219    H3*    T  20           H3*        T  20   0.609  -8.236  17.493
  220   1H2*    T  20          1H2*        T  20   1.589  -6.242  16.875
  221   2H2*    T  20          2H2*        T  20   0.121  -6.041  15.850
  222    H1*    T  20           H1*        T  20  -0.949  -4.705  17.438
  223    H3     T  20           H3         T  20   1.010  -0.734  18.032
  224   1H5M    T  20          1H5M        T  20   4.631  -4.059  19.783
  225   2H5M    T  20          2H5M        T  20   5.138  -2.572  18.950
  226   3H5M    T  20          3H5M        T  20   5.021  -4.103  18.049
  227    H6     T  20           H6         T  20   2.613  -5.244  18.354
  228   1H5*    C  21          1H5*        C  21  -3.358  -6.117  15.714
  229   2H5*    C  21          2H5*        C  21  -3.727  -6.993  14.211
  230    H4*    C  21           H4*        C  21  -4.286  -4.635  13.951
  231    H3*    C  21           H3*        C  21  -2.339  -5.965  12.276
  232    H2*    C  21           H2*        C  21  -0.783  -4.292  12.081
  233    H1*    C  21           H1*        C  21  -2.641  -2.259  13.269
  234   1H4     C  21          1H4         C  21   3.503  -1.373  15.680
  235   2H4     C  21          2H4         C  21   2.819   0.218  15.416
  236    H5     C  21           H5         C  21   2.335  -3.418  15.162
  237    H6     C  21           H6         C  21   0.258  -4.378  14.286
  238   2H2*    C  21          2H2*        C  21  -2.075  -3.321  11.312
  239   1H5*    G  22          1H5*        G  22  -4.978  -2.264  10.760
  240   2H5*    G  22          2H5*        G  22  -5.598  -2.830   9.191
  241    H4*    G  22           H4*        G  22  -5.200  -0.436   9.096
  242    H3*    G  22           H3*        G  22  -4.017  -2.249   7.292
  243    H2*    G  22           H2*        G  22  -1.778  -1.813   7.618
  244    H1*    G  22           H1*        G  22  -2.336   0.961   8.630
  245    H8     G  22           H8         G  22  -0.638  -2.440   9.445
  246    H1     G  22           H1         G  22   2.379   2.701  11.772
  247   1H2     G  22          1H2         G  22   1.198   4.529  11.350
  248   2H2     G  22          2H2         G  22  -0.332   4.482  10.503
  249   2H2*    G  22          2H2*        G  22  -2.142  -0.313   6.704
  250   1H5*    C  23          1H5*        C  23  -3.929   2.037   6.987
  251   2H5*    C  23          2H5*        C  23  -4.448   2.857   5.505
  252    H4*    C  23           H4*        C  23  -2.717   4.183   6.547
  253    H3*    C  23           H3*        C  23  -2.160   2.930   3.975
  254    H2*    C  23           H2*        C  23   0.008   2.344   4.358
  255    H1*    C  23           H1*        C  23   0.129   4.012   6.878
  256   1H4     C  23          1H4         C  23   4.448  -0.311   8.535
  257   2H4     C  23          2H4         C  23   3.546  -1.603   7.766
  258    H5     C  23           H5         C  23   1.474  -1.239   6.575
  259    H6     C  23           H6         C  23  -0.167   0.430   5.880
  260   2H2*    C  23          2H2*        C  23   0.365   4.098   4.510
  261   1H5*    G  24          1H5*        G  24   0.125   6.966   5.085
  262   2H5*    G  24          2H5*        G  24   0.092   7.920   3.585
  263    H4*    G  24           H4*        G  24   2.303   8.035   4.694
  264    H3*    G  24           H3*        G  24   1.896   7.065   1.991
  265    H2*    G  24           H2*        G  24   3.377   5.352   1.947
  266    H1*    G  24           H1*        G  24   4.642   6.155   4.555
  267    H8     G  24           H8         G  24   2.367   3.367   3.027
  268    H1     G  24           H1         G  24   7.303   1.359   6.575
  269   1H2     G  24          1H2         G  24   7.963   4.752   7.000
  270   2H2     G  24          2H2         G  24   8.430   3.105   7.352
  271    H3T    G  24           H3T        G  24   3.914   8.656   3.214
  272   2H2*    G  24          2H2*        G  24   4.677   6.552   2.258
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   3.451  -8.206   1.862
    2   2H5*    C   1          2H5*        C   1   4.751  -8.196   3.073
    3    H4*    C   1           H4*        C   1   4.547  -5.962   1.945
    4    H3*    C   1           H3*        C   1   4.618  -6.499   4.717
    5    H2*    C   1           H2*        C   1   2.789  -5.289   5.400
    6    H1*    C   1           H1*        C   1   2.799  -3.662   2.832
    7   1H4     C   1          1H4         C   1  -3.227  -2.743   4.574
    8   2H4     C   1          2H4         C   1  -3.348  -4.358   5.241
    9    H5     C   1           H5         C   1  -1.516  -5.929   5.240
   10    H6     C   1           H6         C   1   0.830  -6.280   4.619
   11    H5T    C   1           H5T        C   1   2.018  -7.721   3.646
   12   2H2*    C   1          2H2*        C   1   3.793  -3.838   5.044
   13   1H5*    G   2          1H5*        G   2   5.281  -1.944   3.385
   14   2H5*    G   2          2H5*        G   2   6.981  -1.790   3.867
   15    H4*    G   2           H4*        G   2   5.988   0.359   4.225
   16    H3*    G   2           H3*        G   2   6.995  -1.029   6.426
   17    H2*    G   2           H2*        G   2   5.042  -1.394   7.628
   18    H1*    G   2           H1*        G   2   3.843   1.146   6.499
   19    H8     G   2           H8         G   2   3.224  -2.623   7.210
   20    H1     G   2           H1         G   2  -1.989   1.069   7.286
   21   1H2     G   2          1H2         G   2   0.193   3.621   6.354
   22   2H2     G   2          2H2         G   2  -1.449   3.155   6.742
   23   2H2*    G   2          2H2*        G   2   5.312   0.304   8.129
   24   1H5*    C   3          1H5*        C   3   5.689   3.483   6.469
   25   2H5*    C   3          2H5*        C   3   6.751   4.463   7.505
   26    H4*    C   3           H4*        C   3   4.418   5.287   7.566
   27    H3*    C   3           H3*        C   3   5.874   4.542   9.924
   28    H2*    C   3           H2*        C   3   4.238   3.369  11.023
   29    H1*    C   3           H1*        C   3   2.095   4.424   9.169
   30   1H4     C   3          1H4         C   3   0.858  -1.896  10.822
   31   2H4     C   3          2H4         C   3  -0.684  -1.080  10.673
   32    H5     C   3           H5         C   3   2.982  -0.782  10.483
   33    H6     C   3           H6         C   3   4.059   1.351   9.930
   34   2H2*    C   3          2H2*        C   3   3.340   4.919  11.105
   35   1H5*    G   4          1H5*        G   4   2.078   7.248   9.956
   36   2H5*    G   4          2H5*        G   4   2.569   8.739  10.785
   37    H4*    G   4           H4*        G   4   0.250   8.322  11.321
   38    H3*    G   4           H3*        G   4   2.122   8.580  13.345
   39    H2*    G   4           H2*        G   4   2.193   6.317  14.020
   40    H1*    G   4           H1*        G   4  -0.787   6.232  13.464
   41    H8     G   4           H8         G   4   2.510   4.199  13.256
   42    H1     G   4           H1         G   4  -2.869   0.787  13.817
   43   1H2     G   4          1H2         G   4  -4.624   2.143  13.783
   44   2H2     G   4          2H2         G   4  -4.454   3.878  13.625
   45   2H2*    G   4          2H2*        G   4   0.844   6.923  15.050
   46   1H5*    A   5          1H5*        A   5  -2.501   7.968  13.810
   47   2H5*    A   5          2H5*        A   5  -3.083   9.295  14.834
   48    H4*    A   5           H4*        A   5  -4.636   7.424  14.986
   49    H3*    A   5           H3*        A   5  -3.446   8.513  17.270
   50    H2*    A   5           H2*        A   5  -2.163   6.679  17.945
   51    H1*    A   5           H1*        A   5  -4.278   4.860  16.749
   52    H8     A   5           H8         A   5  -0.408   5.447  16.556
   53   1H6     A   5          1H6         A   5   0.872   0.782  16.868
   54   2H6     A   5          2H6         A   5  -0.035  -0.702  17.058
   55    H2     A   5           H2         A   5  -4.378   0.443  17.200
   56   2H2*    A   5          2H2*        A   5  -3.736   6.172  18.646
   57   1H5*    A   6          1H5*        A   6  -7.183   5.346  17.563
   58   2H5*    A   6          2H5*        A   6  -8.247   6.198  18.704
   59    H4*    A   6           H4*        A   6  -8.512   3.760  18.892
   60    H3*    A   6           H3*        A   6  -8.003   5.436  21.086
   61    H2*    A   6           H2*        A   6  -5.954   4.623  21.810
   62    H1*    A   6           H1*        A   6  -6.546   1.895  20.684
   63    H8     A   6           H8         A   6  -3.906   4.785  20.643
   64   1H6     A   6          1H6         A   6   0.210   0.195  20.232
   65   2H6     A   6          2H6         A   6  -0.005   1.931  20.301
   66    H2     A   6           H2         A   6  -3.903  -1.625  20.331
   67   2H2*    A   6          2H2*        A   6  -6.955   3.297  22.479
   68   1H5*    T   7          1H5*        T   7  -8.956   1.032  21.224
   69   2H5*    T   7          2H5*        T   7 -10.293   0.645  22.325
   70    H4*    T   7           H4*        T   7  -8.802  -1.279  22.183
   71    H3*    T   7           H3*        T   7  -9.211   0.043  24.696
   72   1H2*    T   7          1H2*        T   7  -7.043   0.233  25.397
   73   2H2*    T   7          2H2*        T   7  -7.044  -1.555  25.500
   74    H1*    T   7           H1*        T   7  -6.113  -1.822  23.402
   75    H3     T   7           H3         T   7  -1.851  -0.588  23.600
   76   1H5M    T   7          1H5M        T   7  -2.878   3.910  23.999
   77   2H5M    T   7          2H5M        T   7  -4.003   3.677  25.366
   78   3H5M    T   7          3H5M        T   7  -4.639   3.963  23.718
   79    H6     T   7           H6         T   7  -5.958   1.847  24.060
   80   1H5*    T   8          1H5*        T   8  -7.152  -3.847  24.253
   81   2H5*    T   8          2H5*        T   8  -8.117  -5.113  25.036
   82    H4*    T   8           H4*        T   8  -5.853  -5.833  25.229
   83    H3*    T   8           H3*        T   8  -7.197  -5.112  27.621
   84   1H2*    T   8          1H2*        T   8  -5.705  -3.594  28.500
   85   2H2*    T   8          2H2*        T   8  -4.660  -5.035  28.773
   86    H1*    T   8           H1*        T   8  -3.451  -4.682  26.816
   87    H3     T   8           H3         T   8  -0.933  -0.996  26.953
   88   1H5M    T   8          1H5M        T   8  -4.502   1.771  27.890
   89   2H5M    T   8          2H5M        T   8  -5.614   0.631  28.686
   90   3H5M    T   8          3H5M        T   8  -5.762   0.949  26.943
   91    H6     T   8           H6         T   8  -5.638  -1.752  27.502
   92   1H5*    C   9          1H5*        C   9  -3.352  -7.791  27.333
   93   2H5*    C   9          2H5*        C   9  -3.393  -9.094  28.541
   94    H4*    C   9           H4*        C   9  -1.096  -8.252  28.230
   95    H3*    C   9           H3*        C   9  -2.438  -8.234  30.790
   96    H2*    C   9           H2*        C   9  -1.705  -6.187  31.548
   97    H1*    C   9           H1*        C   9   0.370  -6.094  29.347
   98   1H4     C   9          1H4         C   9  -0.301   0.188  30.103
   99   2H4     C   9          2H4         C   9  -2.033   0.034  30.320
  100    H5     C   9           H5         C   9  -3.177  -2.087  30.341
  101    H6     C   9           H6         C   9  -2.907  -4.515  30.150
  102   2H2*    C   9          2H2*        C   9  -0.064  -6.896  31.511
  103   1H5*    G  10          1H5*        G  10   2.235  -8.006  30.213
  104   2H5*    G  10          2H5*        G  10   2.744  -9.492  31.044
  105    H4*    G  10           H4*        G  10   4.512  -7.940  31.351
  106    H3*    G  10           H3*        G  10   3.080  -8.826  33.604
  107    H2*    G  10           H2*        G  10   2.271  -6.811  34.428
  108    H1*    G  10           H1*        G  10   4.546  -5.306  33.170
  109    H8     G  10           H8         G  10   0.664  -5.509  33.429
  110    H1     G  10           H1         G  10   3.096   0.387  32.999
  111   1H2     G  10          1H2         G  10   6.151  -1.244  32.639
  112   2H2     G  10          2H2         G  10   5.297   0.281  32.729
  113   2H2*    G  10          2H2*        G  10   3.966  -6.614  34.982
  114   1H5*    C  11          1H5*        C  11   6.775  -6.434  33.677
  115   2H5*    C  11          2H5*        C  11   8.089  -6.925  34.761
  116    H4*    C  11           H4*        C  11   8.043  -4.495  34.566
  117    H3*    C  11           H3*        C  11   7.548  -5.769  37.141
  118    H2*    C  11           H2*        C  11   5.911  -4.369  37.890
  119    H1*    C  11           H1*        C  11   6.466  -2.387  35.673
  120   1H4     C  11          1H4         C  11   0.381  -0.922  36.528
  121   2H4     C  11          2H4         C  11  -0.059  -2.598  36.787
  122    H5     C  11           H5         C  11   1.555  -4.401  36.796
  123    H6     C  11           H6         C  11   3.923  -4.968  36.559
  124   2H2*    C  11          2H2*        C  11   7.139  -3.057  37.846
  125   1H5*    G  12          1H5*        G  12   9.620  -1.402  37.012
  126   2H5*    G  12          2H5*        G  12  10.819  -1.472  38.320
  127    H4*    G  12           H4*        G  12   9.614   0.699  38.263
  128    H3*    G  12           H3*        G  12   9.703  -1.062  40.573
  129    H2*    G  12           H2*        G  12   7.589  -0.778  41.353
  130    H1*    G  12           H1*        G  12   7.054   1.526  39.489
  131    H8     G  12           H8         G  12   5.998  -2.193  40.068
  132    H1     G  12           H1         G  12   1.238   2.019  39.309
  133   1H2     G  12          1H2         G  12   3.791   4.367  39.020
  134   2H2     G  12          2H2         G  12   2.072   4.056  39.034
  135    H3T    G  12           H3T        G  12   9.871   1.755  40.218
  136   2H2*    G  12          2H2*        G  12   7.976   0.964  41.563
  137   1H5*    C  13          1H5*        C  13  -4.164   8.192  42.346
  138   2H5*    C  13          2H5*        C  13  -4.203   9.259  40.926
  139    H4*    C  13           H4*        C  13  -1.858   8.934  41.713
  140    H3*    C  13           H3*        C  13  -2.863   8.462  39.092
  141    H2*    C  13           H2*        C  13  -1.919   6.426  38.658
  142    H1*    C  13           H1*        C  13   0.049   6.660  40.933
  143   1H4     C  13          1H4         C  13  -0.366   0.349  40.435
  144   2H4     C  13          2H4         C  13  -2.084   0.427  40.112
  145    H5     C  13           H5         C  13  -3.305   2.499  39.955
  146    H6     C  13           H6         C  13  -3.145   4.940  40.085
  147    H5T    C  13           H5T        C  13  -4.310   7.379  39.633
  148   2H2*    C  13          2H2*        C  13  -0.338   7.278  38.628
  149   1H5*    G  14          1H5*        G  14   1.722   8.592  39.272
  150   2H5*    G  14          2H5*        G  14   2.038  10.160  38.509
  151    H4*    G  14           H4*        G  14   3.847   8.750  37.858
  152    H3*    G  14           H3*        G  14   2.105   9.652  35.846
  153    H2*    G  14           H2*        G  14   1.263   7.633  35.083
  154    H1*    G  14           H1*        G  14   3.800   6.224  35.935
  155    H8     G  14           H8         G  14  -0.098   6.097  36.114
  156    H1     G  14           H1         G  14   2.889   0.436  36.146
  157   1H2     G  14          1H2         G  14   5.808   2.351  36.166
  158   2H2     G  14          2H2         G  14   5.095   0.751  36.158
  159   2H2*    G  14          2H2*        G  14   2.846   7.538  34.248
  160   1H5*    C  15          1H5*        C  15   6.325   7.748  35.243
  161   2H5*    C  15          2H5*        C  15   7.210   8.507  33.900
  162    H4*    C  15           H4*        C  15   7.811   6.121  34.131
  163    H3*    C  15           H3*        C  15   6.807   7.242  31.694
  164    H2*    C  15           H2*        C  15   5.303   5.607  31.115
  165    H1*    C  15           H1*        C  15   6.488   3.677  33.120
  166   1H4     C  15          1H4         C  15   0.596   1.325  33.030
  167   2H4     C  15          2H4         C  15  -0.108   2.915  32.811
  168    H5     C  15           H5         C  15   1.218   4.931  32.613
  169    H6     C  15           H6         C  15   3.496   5.838  32.604
  170   2H2*    C  15          2H2*        C  15   6.725   4.530  30.936
  171   1H5*    G  16          1H5*        G  16   9.108   3.168  31.918
  172   2H5*    G  16          2H5*        G  16  10.467   3.356  30.793
  173    H4*    G  16           H4*        G  16   9.767   1.045  30.731
  174    H3*    G  16           H3*        G  16   9.826   2.546  28.403
  175    H2*    G  16           H2*        G  16   7.498   2.766  28.086
  176    H1*    G  16           H1*        G  16   7.246  -0.061  29.154
  177    H8     G  16           H8         G  16   5.592   3.444  29.093
  178    H1     G  16           H1         G  16   1.655  -1.504  30.051
  179   1H2     G  16          1H2         G  16   4.574  -3.398  30.063
  180   2H2     G  16          2H2         G  16   2.829  -3.381  30.194
  181   2H2*    G  16          2H2*        G  16   7.796   1.211  27.223
  182   1H5*    A  17          1H5*        A  17   8.741  -1.980  28.811
  183   2H5*    A  17          2H5*        A  17   9.795  -2.874  27.699
  184    H4*    A  17           H4*        A  17   7.778  -4.174  28.125
  185    H3*    A  17           H3*        A  17   8.554  -3.497  25.521
  186    H2*    A  17           H2*        A  17   6.761  -2.117  24.934
  187    H1*    A  17           H1*        A  17   4.993  -3.771  26.765
  188    H8     A  17           H8         A  17   5.978  -0.021  26.205
  189   1H6     A  17          1H6         A  17   1.480   1.769  26.404
  190   2H6     A  17          2H6         A  17  -0.097   1.036  26.592
  191    H2     A  17           H2         A  17   0.570  -3.391  26.987
  192   2H2*    A  17          2H2*        A  17   5.986  -3.704  24.614
  193   1H5*    A  18          1H5*        A  18   5.048  -6.811  26.380
  194   2H5*    A  18          2H5*        A  18   5.577  -8.138  25.322
  195    H4*    A  18           H4*        A  18   3.134  -8.120  25.574
  196    H3*    A  18           H3*        A  18   4.429  -8.177  23.086
  197    H2*    A  18           H2*        A  18   3.716  -6.177  22.157
  198    H1*    A  18           H1*        A  18   1.183  -6.231  23.779
  199    H8     A  18           H8         A  18   4.301  -4.003  22.961
  200   1H6     A  18          1H6         A  18   1.946   0.229  23.014
  201   2H6     A  18          2H6         A  18   0.277   0.672  23.300
  202    H2     A  18           H2         A  18  -1.943  -3.140  24.182
  203   2H2*    A  18          2H2*        A  18   2.198  -7.088  21.888
  204   1H5*    T  19          1H5*        T  19  -0.017  -8.539  23.805
  205   2H5*    T  19          2H5*        T  19  -0.714  -9.976  23.029
  206    H4*    T  19           H4*        T  19  -2.431  -8.256  23.201
  207    H3*    T  19           H3*        T  19  -1.611  -9.215  20.625
  208   1H2*    T  19          1H2*        T  19  -1.333  -7.228  19.530
  209   2H2*    T  19          2H2*        T  19  -3.102  -7.018  19.707
  210    H1*    T  19           H1*        T  19  -2.907  -5.736  21.617
  211    H3     T  19           H3         T  19  -1.282  -1.763  20.464
  212   1H5M    T  19          1H5M        T  19   2.399  -5.081  18.757
  213   2H5M    T  19          2H5M        T  19   2.965  -4.790  20.419
  214   3H5M    T  19          3H5M        T  19   2.845  -3.436  19.271
  215    H6     T  19           H6         T  19   0.604  -6.173  20.417
  216   1H5*    T  20          1H5*        T  20  -5.147  -6.639  21.289
  217   2H5*    T  20          2H5*        T  20  -6.621  -7.536  20.876
  218    H4*    T  20           H4*        T  20  -7.111  -5.249  20.407
  219    H3*    T  20           H3*        T  20  -6.955  -7.032  18.202
  220   1H2*    T  20          1H2*        T  20  -5.462  -5.904  16.859
  221   2H2*    T  20          2H2*        T  20  -6.811  -4.734  16.630
  222    H1*    T  20           H1*        T  20  -6.011  -3.299  18.278
  223    H3     T  20           H3         T  20  -2.171  -1.322  17.141
  224   1H5M    T  20          1H5M        T  20   0.031  -5.316  16.452
  225   2H5M    T  20          2H5M        T  20  -1.332  -6.377  16.021
  226   3H5M    T  20          3H5M        T  20  -0.756  -6.305  17.702
  227    H6     T  20           H6         T  20  -3.474  -5.920  17.545
  228   1H5*    C  21          1H5*        C  21  -9.133  -2.877  18.217
  229   2H5*    C  21          2H5*        C  21 -10.621  -2.935  17.248
  230    H4*    C  21           H4*        C  21  -9.508  -0.745  17.024
  231    H3*    C  21           H3*        C  21 -10.072  -2.453  14.764
  232    H2*    C  21           H2*        C  21  -8.111  -2.133  13.593
  233    H1*    C  21           H1*        C  21  -7.438   0.236  15.355
  234   1H4     C  21          1H4         C  21  -1.825  -3.027  13.907
  235   2H4     C  21          2H4         C  21  -1.469  -1.314  13.801
  236    H5     C  21           H5         C  21  -4.020  -3.891  14.409
  237    H6     C  21           H6         C  21  -6.343  -3.297  14.911
  238   2H2*    C  21          2H2*        C  21  -8.627  -0.428  13.440
  239   1H5*    G  22          1H5*        G  22  -9.236   2.202  14.456
  240   2H5*    G  22          2H5*        G  22 -10.786   2.756  13.787
  241    H4*    G  22           H4*        G  22  -9.143   4.233  12.922
  242    H3*    G  22           H3*        G  22 -10.544   2.568  11.136
  243    H2*    G  22           H2*        G  22  -8.799   1.400  10.153
  244    H1*    G  22           H1*        G  22  -6.866   3.618  10.744
  245    H8     G  22           H8         G  22  -7.535  -0.191  11.214
  246    H1     G  22           H1         G  22  -1.405   1.447  10.418
  247   1H2     G  22          1H2         G  22  -1.227   3.659  10.292
  248   2H2     G  22          2H2         G  22  -2.618   4.713  10.419
  249   2H2*    G  22          2H2*        G  22  -8.531   2.953   9.295
  250   1H5*    C  23          1H5*        C  23  -7.993   5.988   9.977
  251   2H5*    C  23          2H5*        C  23  -8.589   7.135   8.766
  252    H4*    C  23           H4*        C  23  -6.171   6.901   8.564
  253    H3*    C  23           H3*        C  23  -7.899   6.065   6.362
  254    H2*    C  23           H2*        C  23  -6.726   4.225   5.709
  255    H1*    C  23           H1*        C  23  -4.380   4.959   7.468
  256   1H4     C  23          1H4         C  23  -3.516  -1.301   7.557
  257   2H4     C  23          2H4         C  23  -5.240  -1.611   7.601
  258    H5     C  23           H5         C  23  -6.899   0.146   7.535
  259    H6     C  23           H6         C  23  -7.249   2.569   7.432
  260   2H2*    C  23          2H2*        C  23  -5.357   5.328   5.338
  261   1H5*    G  24          1H5*        G  24  -3.496   7.675   5.436
  262   2H5*    G  24          2H5*        G  24  -3.657   8.641   3.954
  263    H4*    G  24           H4*        G  24  -1.627   7.225   3.910
  264    H3*    G  24           H3*        G  24  -3.745   7.072   1.921
  265    H2*    G  24           H2*        G  24  -3.751   4.836   1.536
  266    H1*    G  24           H1*        G  24  -1.227   4.399   3.119
  267    H8     G  24           H8         G  24  -5.068   3.721   3.373
  268    H1     G  24           H1         G  24  -1.238  -1.307   4.389
  269   1H2     G  24          1H2         G  24   1.345   0.933   3.729
  270   2H2     G  24          2H2         G  24   0.881  -0.705   4.128
  271    H3T    G  24           H3T        G  24  -1.839   8.290   1.725
  272   2H2*    G  24          2H2*        G  24  -2.041   4.987   1.007
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  13.807   0.554   3.591
    2   2H5*    C   1          2H5*        C   1  14.418   1.236   5.113
    3    H4*    C   1           H4*        C   1  12.970   2.883   3.931
    4    H3*    C   1           H3*        C   1  12.657   1.970   6.611
    5    H2*    C   1           H2*        C   1  10.412   1.543   6.635
    6    H1*    C   1           H1*        C   1   9.901   3.112   4.116
    7   1H4     C   1          1H4         C   1   5.046  -0.969   3.934
    8   2H4     C   1          2H4         C   1   6.043  -2.275   4.538
    9    H5     C   1           H5         C   1   8.365  -2.001   5.125
   10    H6     C   1           H6         C   1  10.231  -0.419   5.256
   11    H5T    C   1           H5T        C   1  12.735   0.117   6.181
   12   2H2*    C   1          2H2*        C   1  10.180   3.319   6.497
   13   1H5*    G   2          1H5*        G   2  10.173   5.789   5.660
   14   2H5*    G   2          2H5*        G   2  11.075   6.982   6.617
   15    H4*    G   2           H4*        G   2   8.771   7.619   6.742
   16    H3*    G   2           H3*        G   2  10.090   6.871   9.103
   17    H2*    G   2           H2*        G   2   8.851   5.001   9.700
   18    H1*    G   2           H1*        G   2   6.425   6.150   8.308
   19    H8     G   2           H8         G   2   8.637   2.948   8.650
   20    H1     G   2           H1         G   2   2.415   1.946   7.537
   21   1H2     G   2          1H2         G   2   2.221   5.426   7.377
   22   2H2     G   2          2H2         G   2   1.374   3.896   7.275
   23   2H2*    G   2          2H2*        G   2   7.687   6.238  10.276
   24   1H5*    C   3          1H5*        C   3   5.986   8.986   8.719
   25   2H5*    C   3          2H5*        C   3   5.809  10.280   9.925
   26    H4*    C   3           H4*        C   3   3.614   9.334   9.350
   27    H3*    C   3           H3*        C   3   4.601   9.366  12.037
   28    H2*    C   3           H2*        C   3   4.059   7.233  12.674
   29    H1*    C   3           H1*        C   3   2.226   6.876  10.302
   30   1H4     C   3          1H4         C   3   5.415   1.202  11.661
   31   2H4     C   3          2H4         C   3   3.773   0.785  11.211
   32    H5     C   3           H5         C   3   6.211   3.482  11.788
   33    H6     C   3           H6         C   3   5.598   5.837  11.489
   34   2H2*    C   3          2H2*        C   3   2.350   7.737  12.481
   35   1H5*    G   4          1H5*        G   4  -0.015   8.788  10.953
   36   2H5*    G   4          2H5*        G   4  -0.740  10.132  11.857
   37    H4*    G   4           H4*        G   4  -2.318   8.299  11.824
   38    H3*    G   4           H3*        G   4  -1.474   9.420  14.211
   39    H2*    G   4           H2*        G   4  -0.140   7.651  14.987
   40    H1*    G   4           H1*        G   4  -2.142   5.726  13.762
   41    H8     G   4           H8         G   4   1.607   6.449  14.390
   42    H1     G   4           H1         G   4   0.097   0.273  13.689
   43   1H2     G   4          1H2         G   4  -2.058   0.070  13.216
   44   2H2     G   4          2H2         G   4  -3.115   1.457  13.069
   45   2H2*    G   4          2H2*        G   4  -1.741   7.133  15.636
   46   1H5*    A   5          1H5*        A   5  -4.737   6.153  13.707
   47   2H5*    A   5          2H5*        A   5  -6.192   6.851  14.442
   48    H4*    A   5           H4*        A   5  -6.484   4.477  14.394
   49    H3*    A   5           H3*        A   5  -6.511   5.805  16.853
   50    H2*    A   5           H2*        A   5  -4.606   4.937  17.840
   51    H1*    A   5           H1*        A   5  -4.929   2.340  16.336
   52    H8     A   5           H8         A   5  -2.373   5.258  16.837
   53   1H6     A   5          1H6         A   5   1.551   2.522  17.434
   54   2H6     A   5          2H6         A   5   1.834   0.795  17.455
   55    H2     A   5           H2         A   5  -2.153  -1.167  16.742
   56   2H2*    A   5          2H2*        A   5  -5.702   3.554  18.180
   57   1H5*    A   6          1H5*        A   6  -7.499   1.203  16.404
   58   2H5*    A   6          2H5*        A   6  -9.072   1.013  17.208
   59    H4*    A   6           H4*        A   6  -7.795  -1.061  17.349
   60    H3*    A   6           H3*        A   6  -8.874   0.230  19.596
   61    H2*    A   6           H2*        A   6  -6.945   0.689  20.799
   62    H1*    A   6           H1*        A   6  -5.532  -1.666  19.559
   63    H8     A   6           H8         A   6  -5.231   2.185  20.197
   64   1H6     A   6          1H6         A   6   0.805   1.058  20.801
   65   2H6     A   6          2H6         A   6  -0.446   2.282  20.830
   66    H2     A   6           H2         A   6  -1.237  -2.840  19.848
   67   2H2*    A   6          2H2*        A   6  -7.048  -1.053  21.214
   68   1H5*    T   7          1H5*        T   7  -7.052  -3.861  19.521
   69   2H5*    T   7          2H5*        T   7  -8.041  -5.132  20.277
   70    H4*    T   7           H4*        T   7  -5.683  -5.693  20.527
   71    H3*    T   7           H3*        T   7  -7.353  -5.259  22.833
   72   1H2*    T   7          1H2*        T   7  -5.931  -3.989  24.089
   73   2H2*    T   7          2H2*        T   7  -4.869  -5.430  24.162
   74    H1*    T   7           H1*        T   7  -3.578  -4.737  22.364
   75    H3     T   7           H3         T   7  -1.084  -1.285  23.668
   76   1H5M    T   7          1H5M        T   7  -4.701   1.554  24.114
   77   2H5M    T   7          2H5M        T   7  -5.981   0.393  24.542
   78   3H5M    T   7          3H5M        T   7  -5.762   0.891  22.847
   79    H6     T   7           H6         T   7  -5.819  -1.834  23.075
   80   1H5*    T   8          1H5*        T   8  -3.391  -7.138  22.884
   81   2H5*    T   8          2H5*        T   8  -3.513  -8.837  23.380
   82    H4*    T   8           H4*        T   8  -1.370  -8.144  24.129
   83    H3*    T   8           H3*        T   8  -3.302  -8.697  26.113
   84   1H2*    T   8          1H2*        T   8  -3.249  -6.716  27.312
   85   2H2*    T   8          2H2*        T   8  -1.642  -7.307  27.867
   86    H1*    T   8           H1*        T   8  -0.493  -6.064  26.262
   87    H3     T   8           H3         T   8  -0.730  -1.636  26.878
   88   1H5M    T   8          1H5M        T   8  -5.692  -2.931  25.915
   89   2H5M    T   8          2H5M        T   8  -5.343  -1.628  27.073
   90   3H5M    T   8          3H5M        T   8  -5.653  -3.280  27.658
   91    H6     T   8           H6         T   8  -4.058  -5.071  26.451
   92   1H5*    C   9          1H5*        C   9   1.249  -8.363  26.962
   93   2H5*    C   9          2H5*        C   9   1.784  -9.599  28.119
   94    H4*    C   9           H4*        C   9   2.957  -7.476  28.518
   95    H3*    C   9           H3*        C   9   1.353  -8.778  30.535
   96    H2*    C   9           H2*        C   9   0.327  -6.922  31.439
   97    H1*    C   9           H1*        C   9   2.274  -5.102  30.023
   98   1H4     C   9          1H4         C   9  -2.579  -1.005  30.283
   99   2H4     C   9          2H4         C   9  -3.757  -2.287  30.073
  100    H5     C   9           H5         C   9  -3.149  -4.617  29.867
  101    H6     C   9           H6         C   9  -1.285  -6.207  29.829
  102   2H2*    C   9          2H2*        C   9   1.968  -6.403  31.926
  103   1H5*    G  10          1H5*        G  10   4.718  -5.588  31.468
  104   2H5*    G  10          2H5*        G  10   5.790  -6.498  32.556
  105    H4*    G  10           H4*        G  10   5.872  -4.212  33.249
  106    H3*    G  10           H3*        G  10   4.879  -6.179  35.012
  107    H2*    G  10           H2*        G  10   2.763  -5.340  35.433
  108    H1*    G  10           H1*        G  10   3.688  -2.542  34.797
  109    H8     G  10           H8         G  10   1.019  -5.242  33.913
  110    H1     G  10           H1         G  10  -1.059   0.804  33.884
  111   1H2     G  10          1H2         G  10   2.249   1.612  34.609
  112   2H2     G  10          2H2         G  10   0.620   2.185  34.327
  113   2H2*    G  10          2H2*        G  10   3.666  -4.173  36.457
  114   1H5*    C  11          1H5*        C  11   5.848  -2.025  36.137
  115   2H5*    C  11          2H5*        C  11   6.871  -1.776  37.562
  116    H4*    C  11           H4*        C  11   5.293   0.062  37.369
  117    H3*    C  11           H3*        C  11   5.126  -1.731  39.670
  118    H2*    C  11           H2*        C  11   2.857  -1.803  39.869
  119    H1*    C  11           H1*        C  11   2.499   0.448  37.892
  120   1H4     C  11          1H4         C  11  -2.990  -2.475  36.768
  121   2H4     C  11          2H4         C  11  -2.256  -4.059  36.906
  122    H5     C  11           H5         C  11   0.080  -4.391  37.447
  123    H6     C  11           H6         C  11   2.193  -3.271  37.964
  124   2H2*    C  11          2H2*        C  11   2.906  -0.029  40.160
  125   1H5*    G  12          1H5*        G  12   3.789   2.816  40.043
  126   2H5*    G  12          2H5*        G  12   4.422   3.363  41.611
  127    H4*    G  12           H4*        G  12   2.162   4.261  41.202
  128    H3*    G  12           H3*        G  12   2.819   2.590  43.476
  129    H2*    G  12           H2*        G  12   0.944   1.318  43.592
  130    H1*    G  12           H1*        G  12  -0.538   3.043  41.625
  131    H8     G  12           H8         G  12   1.042  -0.515  41.950
  132    H1     G  12           H1         G  12  -4.937  -0.278  39.673
  133   1H2     G  12          1H2         G  12  -4.603   3.167  40.050
  134   2H2     G  12          2H2         G  12  -5.620   1.829  39.569
  135    H3T    G  12           H3T        G  12   1.646   4.293  44.513
  136   2H2*    G  12          2H2*        G  12   0.023   2.835  43.874
  137   1H5*    C  13          1H5*        C  13 -13.539   0.197  41.032
  138   2H5*    C  13          2H5*        C  13 -13.996   1.180  39.625
  139    H4*    C  13           H4*        C  13 -12.295   2.361  41.011
  140    H3*    C  13           H3*        C  13 -12.111   1.783  38.225
  141    H2*    C  13           H2*        C  13  -9.973   0.986  38.116
  142    H1*    C  13           H1*        C  13  -9.233   2.068  40.826
  143   1H4     C  13          1H4         C  13  -5.180  -2.796  40.376
  144   2H4     C  13          2H4         C  13  -6.389  -3.810  39.617
  145    H5     C  13           H5         C  13  -8.617  -3.049  39.103
  146    H6     C  13           H6         C  13 -10.170  -1.157  39.214
  147    H5T    C  13           H5T        C  13 -12.511  -0.064  38.401
  148   2H2*    C  13          2H2*        C  13  -9.438   2.657  38.503
  149   1H5*    G  14          1H5*        G  14  -9.033   4.961  39.625
  150   2H5*    G  14          2H5*        G  14  -9.715   6.410  38.859
  151    H4*    G  14           H4*        G  14  -7.336   6.658  38.777
  152    H3*    G  14           H3*        G  14  -8.752   6.471  36.359
  153    H2*    G  14           H2*        G  14  -7.832   4.530  35.484
  154    H1*    G  14           H1*        G  14  -5.262   5.048  36.990
  155    H8     G  14           H8         G  14  -7.981   2.344  36.244
  156    H1     G  14           H1         G  14  -2.025   0.163  37.088
  157   1H2     G  14          1H2         G  14  -1.247   3.504  37.730
  158   2H2     G  14          2H2         G  14  -0.670   1.855  37.601
  159   2H2*    G  14          2H2*        G  14  -6.473   5.625  35.074
  160   1H5*    C  15          1H5*        C  15  -4.369   7.817  36.957
  161   2H5*    C  15          2H5*        C  15  -3.967   9.219  35.940
  162    H4*    C  15           H4*        C  15  -1.967   7.849  36.343
  163    H3*    C  15           H3*        C  15  -2.916   8.416  33.701
  164    H2*    C  15           H2*        C  15  -2.726   6.333  32.767
  165    H1*    C  15           H1*        C  15  -1.001   5.352  35.043
  166   1H4     C  15          1H4         C  15  -3.532  -0.213  33.329
  167   2H4     C  15          2H4         C  15  -5.076   0.529  32.959
  168    H5     C  15           H5         C  15  -5.478   2.906  33.151
  169    H6     C  15           H6         C  15  -4.485   5.063  33.762
  170   2H2*    C  15          2H2*        C  15  -0.959   6.516  33.005
  171   1H5*    G  16          1H5*        G  16   1.535   6.939  34.618
  172   2H5*    G  16          2H5*        G  16   2.475   8.263  33.902
  173    H4*    G  16           H4*        G  16   3.732   6.212  33.651
  174    H3*    G  16           H3*        G  16   3.103   7.786  31.461
  175    H2*    G  16           H2*        G  16   1.508   6.387  30.457
  176    H1*    G  16           H1*        G  16   3.153   4.004  31.367
  177    H8     G  16           H8         G  16  -0.419   5.420  30.909
  178    H1     G  16           H1         G  16   0.039  -0.956  30.700
  179   1H2     G  16          1H2         G  16   3.399  -0.421  31.428
  180   2H2     G  16          2H2         G  16   2.128  -1.578  31.096
  181   2H2*    G  16          2H2*        G  16   3.009   5.713  29.720
  182   1H5*    A  17          1H5*        A  17   5.782   4.001  31.449
  183   2H5*    A  17          2H5*        A  17   7.341   4.542  30.799
  184    H4*    A  17           H4*        A  17   7.231   2.169  30.511
  185    H3*    A  17           H3*        A  17   7.506   3.807  28.262
  186    H2*    A  17           H2*        A  17   5.495   3.416  27.187
  187    H1*    A  17           H1*        A  17   5.363   0.616  28.309
  188    H8     A  17           H8         A  17   3.335   3.959  28.258
  189   1H6     A  17          1H6         A  17  -0.979   2.032  27.305
  190   2H6     A  17          2H6         A  17  -1.545   0.398  27.039
  191    H2     A  17           H2         A  17   2.048  -2.285  27.427
  192   2H2*    A  17          2H2*        A  17   6.349   1.931  26.643
  193   1H5*    A  18          1H5*        A  18   7.709  -0.908  28.042
  194   2H5*    A  18          2H5*        A  18   9.238  -1.243  27.200
  195    H4*    A  18           H4*        A  18   7.633  -3.033  26.785
  196    H3*    A  18           H3*        A  18   8.936  -1.638  24.727
  197    H2*    A  18           H2*        A  18   7.123  -0.697  23.627
  198    H1*    A  18           H1*        A  18   5.324  -2.935  24.543
  199    H8     A  18           H8         A  18   5.675   0.963  24.458
  200   1H6     A  18          1H6         A  18   0.978   1.942  23.911
  201   2H6     A  18          2H6         A  18  -0.459   0.950  23.791
  202    H2     A  18           H2         A  18   0.898  -3.327  24.149
  203   2H2*    A  18          2H2*        A  18   6.938  -2.356  22.970
  204   1H5*    T  19          1H5*        T  19   6.455  -5.339  24.251
  205   2H5*    T  19          2H5*        T  19   7.228  -6.637  23.312
  206    H4*    T  19           H4*        T  19   4.812  -6.760  23.016
  207    H3*    T  19           H3*        T  19   6.555  -6.290  20.773
  208   1H2*    T  19          1H2*        T  19   5.380  -4.634  19.727
  209   2H2*    T  19          2H2*        T  19   4.093  -5.853  19.463
  210    H1*    T  19           H1*        T  19   2.915  -5.215  21.357
  211    H3     T  19           H3         T  19   1.051  -1.244  20.576
  212   1H5M    T  19          1H5M        T  19   6.171  -0.305  19.901
  213   2H5M    T  19          2H5M        T  19   6.016  -0.024  21.653
  214   3H5M    T  19          3H5M        T  19   5.099   0.981  20.506
  215    H6     T  19           H6         T  19   5.619  -2.658  21.043
  216   1H5*    T  20          1H5*        T  20   2.336  -7.460  20.503
  217   2H5*    T  20          2H5*        T  20   2.177  -9.067  19.767
  218    H4*    T  20           H4*        T  20   0.190  -7.922  19.151
  219    H3*    T  20           H3*        T  20   2.025  -8.506  17.085
  220   1H2*    T  20          1H2*        T  20   2.323  -6.393  16.182
  221   2H2*    T  20          2H2*        T  20   0.646  -6.620  15.567
  222    H1*    T  20           H1*        T  20  -0.299  -5.445  17.347
  223    H3     T  20           H3         T  20   0.683  -1.077  17.361
  224   1H5M    T  20          1H5M        T  20   5.233  -1.812  17.107
  225   2H5M    T  20          2H5M        T  20   5.272  -3.400  16.302
  226   3H5M    T  20          3H5M        T  20   5.346  -3.298  18.076
  227    H6     T  20           H6         T  20   3.385  -5.044  17.256
  228   1H5*    C  21          1H5*        C  21  -2.389  -7.285  16.341
  229   2H5*    C  21          2H5*        C  21  -3.111  -8.238  15.029
  230    H4*    C  21           H4*        C  21  -3.903  -5.915  14.940
  231    H3*    C  21           H3*        C  21  -2.502  -7.167  12.747
  232    H2*    C  21           H2*        C  21  -1.172  -5.396  12.107
  233    H1*    C  21           H1*        C  21  -2.813  -3.501  13.786
  234   1H4     C  21          1H4         C  21   3.600  -1.748  14.103
  235   2H4     C  21          2H4         C  21   2.655  -0.271  14.086
  236    H5     C  21           H5         C  21   2.611  -3.950  13.978
  237    H6     C  21           H6         C  21   0.511  -5.196  13.796
  238   2H2*    C  21          2H2*        C  21  -2.698  -4.549  11.714
  239   1H5*    G  22          1H5*        G  22  -5.277  -3.368  12.302
  240   2H5*    G  22          2H5*        G  22  -6.468  -3.922  11.104
  241    H4*    G  22           H4*        G  22  -6.158  -1.581  10.743
  242    H3*    G  22           H3*        G  22  -5.466  -3.415   8.713
  243    H2*    G  22           H2*        G  22  -3.234  -2.881   8.405
  244    H1*    G  22           H1*        G  22  -3.705  -0.090   9.442
  245    H8     G  22           H8         G  22  -1.525  -3.286   9.922
  246    H1     G  22           H1         G  22   1.504   2.276  10.795
  247   1H2     G  22          1H2         G  22   0.081   3.961  10.558
  248   2H2     G  22          2H2         G  22  -1.612   3.707  10.194
  249   2H2*    G  22          2H2*        G  22  -3.917  -1.449   7.563
  250   1H5*    C  23          1H5*        C  23  -5.721   0.960   8.205
  251   2H5*    C  23          2H5*        C  23  -6.673   1.570   6.841
  252    H4*    C  23           H4*        C  23  -4.830   3.090   7.277
  253    H3*    C  23           H3*        C  23  -4.909   1.632   4.747
  254    H2*    C  23           H2*        C  23  -2.677   1.231   4.525
  255    H1*    C  23           H1*        C  23  -1.998   3.095   6.796
  256   1H4     C  23          1H4         C  23   2.930  -0.806   7.466
  257   2H4     C  23          2H4         C  23   1.952  -2.216   7.111
  258    H5     C  23           H5         C  23  -0.395  -2.085   6.540
  259    H6     C  23           H6         C  23  -2.293  -0.577   6.200
  260   2H2*    C  23          2H2*        C  23  -2.442   3.013   4.486
  261   1H5*    G  24          1H5*        G  24  -2.874   5.911   5.002
  262   2H5*    G  24          2H5*        G  24  -3.393   6.771   3.536
  263    H4*    G  24           H4*        G  24  -1.027   7.234   4.043
  264    H3*    G  24           H3*        G  24  -1.904   6.012   1.564
  265    H2*    G  24           H2*        G  24  -0.244   4.501   1.255
  266    H1*    G  24           H1*        G  24   1.456   5.677   3.438
  267    H8     G  24           H8         G  24  -0.665   2.496   2.633
  268    H1     G  24           H1         G  24   5.238   1.459   4.885
  269   1H2     G  24          1H2         G  24   5.467   4.931   4.980
  270   2H2     G  24          2H2         G  24   6.249   3.395   5.268
  271    H3T    G  24           H3T        G  24  -1.444   8.219   1.886
  272   2H2*    G  24          2H2*        G  24   0.904   5.881   1.185



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1  12.902  -6.689   3.884
    2   2H5*    C   1          2H5*        C   1  13.712  -6.503   5.454
    3    H4*    C   1           H4*        C   1  13.464  -4.293   4.327
    4    H3*    C   1           H3*        C   1  12.579  -4.978   6.944
    5    H1*    C   1           H1*        C   1  11.019  -2.420   4.463
    6   1H4     C   1          1H4         C   1   4.736  -3.151   3.956
    7   2H4     C   1          2H4         C   1   4.823  -4.809   4.511
    8    H5     C   1           H5         C   1   6.883  -5.874   5.169
    9    H6     C   1           H6         C   1   9.302  -5.585   5.423
   10    H5T    C   1           H5T        C   1  11.637  -6.537   6.419
   11   1H2*    C   1          1H2*        C   1  10.469  -4.101   6.905
   12   2H2*    C   1          2H2*        C   1  11.253  -2.485   6.863
   13   1H5*    G   2          1H5*        G   2  12.652  -0.405   6.174
   14   2H5*    G   2          2H5*        G   2  14.044   0.050   7.175
   15    H4*    G   2           H4*        G   2  12.501   1.870   7.317
   16    H3*    G   2           H3*        G   2  13.082   0.437   9.658
   17    H1*    G   2           H1*        G   2   9.671   1.929   8.785
   18    H8     G   2           H8         G   2   9.705  -1.969   9.026
   19    H1     G   2           H1         G   2   4.037   0.703   7.731
   20   1H2     G   2          1H2         G   2   5.823   3.701   7.724
   21   2H2     G   2          2H2         G   2   4.272   2.909   7.536
   22   1H2*    G   2          1H2*        G   2  10.987  -0.420  10.161
   23   2H2*    G   2          2H2*        G   2  10.700   1.242  10.769
   24   1H5*    C   3          1H5*        C   3  10.913   4.530   9.343
   25   2H5*    C   3          2H5*        C   3  11.432   5.646  10.626
   26    H4*    C   3           H4*        C   3   9.104   6.100   9.964
   27    H3*    C   3           H3*        C   3   9.838   5.480  12.662
   28    H1*    C   3           H1*        C   3   6.554   4.804  10.762
   29   1H4     C   3          1H4         C   3   5.975  -1.728  11.857
   30   2H4     C   3          2H4         C   3   4.404  -1.142  11.347
   31    H5     C   3           H5         C   3   7.896  -0.286  12.139
   32    H6     C   3           H6         C   3   8.712   2.019  11.968
   33   1H2*    C   3          1H2*        C   3   8.173   3.994  13.181
   34   2H2*    C   3          2H2*        C   3   7.044   5.373  12.989
   35   1H5*    G   4          1H5*        G   4   5.741   7.585  11.482
   36   2H5*    G   4          2H5*        G   4   5.837   9.087  12.422
   37    H4*    G   4           H4*        G   4   3.516   8.447  12.281
   38    H3*    G   4           H3*        G   4   4.737   8.807  14.746
   39    H1*    G   4           H1*        G   4   2.135   6.145  14.063
   40    H8     G   4           H8         G   4   5.621   4.630  14.798
   41    H1     G   4           H1         G   4   0.967   0.371  13.749
   42   1H2     G   4          1H2         G   4  -0.916   1.417  13.236
   43   2H2     G   4          2H2         G   4  -1.020   3.162  13.145
   44   1H2*    G   4          1H2*        G   4   4.802   6.571  15.446
   45   2H2*    G   4          2H2*        G   4   3.154   7.018  16.023
   46   1H5*    A   5          1H5*        A   5   0.264   7.951  14.010
   47   2H5*    A   5          2H5*        A   5  -0.609   9.313  14.733
   48    H4*    A   5           H4*        A   5  -2.159   7.508  14.559
   49    H3*    A   5           H3*        A   5  -1.562   8.521  17.098
   50    H1*    A   5           H1*        A   5  -2.145   4.789  16.382
   51    H8     A   5           H8         A   5   1.572   5.766  17.099
   52   1H6     A   5          1H6         A   5   3.287   1.288  17.607
   53   2H6     A   5          2H6         A   5   2.563  -0.304  17.531
   54    H2     A   5           H2         A   5  -1.805   0.316  16.639
   55   1H2*    A   5          1H2*        A   5  -0.513   6.696  18.059
   56   2H2*    A   5          2H2*        A   5  -2.208   6.145  18.287
   57   1H5*    A   6          1H5*        A   6  -4.872   5.266  16.344
   58   2H5*    A   6          2H5*        A   6  -6.343   5.939  17.081
   59    H4*    A   6           H4*        A   6  -6.429   3.505  17.129
   60    H3*    A   6           H3*        A   6  -6.735   5.079  19.433
   61    H1*    A   6           H1*        A   6  -4.985   1.657  19.341
   62    H8     A   6           H8         A   6  -2.657   4.675  20.226
   63   1H6     A   6          1H6         A   6   1.729   0.384  20.878
   64   2H6     A   6          2H6         A   6   1.357   2.092  20.963
   65    H2     A   6           H2         A   6  -2.061  -1.699  19.636
   66   1H2*    A   6          1H2*        A   6  -4.939   4.343  20.703
   67   2H2*    A   6          2H2*        A   6  -6.004   2.932  20.996
   68   1H5*    T   7          1H5*        T   7  -7.450   0.683  19.130
   69   2H5*    T   7          2H5*        T   7  -9.013   0.126  19.768
   70    H4*    T   7           H4*        T   7  -7.370  -1.648  20.041
   71    H3*    T   7           H3*        T   7  -8.628  -0.455  22.343
   72   1H2*    T   7          1H2*        T   7  -6.801  -0.242  23.694
   73   2H2*    T   7          2H2*        T   7  -6.715  -2.032  23.693
   74    H1*    T   7           H1*        T   7  -5.172  -2.088  21.955
   75    H3     T   7           H3         T   7  -1.260  -0.646  23.526
   76   1H5M    T   7          1H5M        T   7  -3.924   3.786  22.790
   77   2H5M    T   7          2H5M        T   7  -2.753   3.686  24.127
   78   3H5M    T   7          3H5M        T   7  -4.483   3.401  24.436
   79    H6     T   7           H6         T   7  -5.483   1.532  22.820
   80   1H5*    T   8          1H5*        T   8  -6.377  -4.201  22.359
   81   2H5*    T   8          2H5*        T   8  -7.439  -5.571  22.736
   82    H4*    T   8           H4*        T   8  -5.316  -6.217  23.572
   83    H3*    T   8           H3*        T   8  -7.323  -5.678  25.486
   84   1H2*    T   8          1H2*        T   8  -6.234  -4.120  26.807
   85   2H2*    T   8          2H2*        T   8  -5.251  -5.529  27.345
   86    H1*    T   8           H1*        T   8  -3.533  -5.064  25.840
   87    H3     T   8           H3         T   8  -1.313  -1.277  26.721
   88   1H5M    T   8          1H5M        T   8  -5.156   1.282  26.821
   89   2H5M    T   8          2H5M        T   8  -6.352   0.059  27.317
   90   3H5M    T   8          3H5M        T   8  -6.118   0.428  25.593
   91    H6     T   8           H6         T   8  -5.960  -2.268  26.028
   92   1H5*    C   9          1H5*        C   9  -3.398  -7.993  26.401
   93   2H5*    C   9          2H5*        C   9  -3.679  -9.348  27.516
   94    H4*    C   9           H4*        C   9  -1.536  -8.234  28.008
   95    H3*    C   9           H3*        C   9  -3.651  -8.516  29.953
   96    H1*    C   9           H1*        C   9  -0.841  -5.950  29.610
   97   1H4     C   9          1H4         C   9  -2.623   0.140  30.066
   98   2H4     C   9          2H4         C   9  -4.305  -0.266  29.787
   99    H5     C   9           H5         C   9  -5.081  -2.532  29.469
  100    H6     C   9           H6         C   9  -4.408  -4.884  29.357
  101   1H2*    C   9          1H2*        C   9  -3.510  -6.438  30.939
  102   2H2*    C   9          2H2*        C   9  -1.871  -6.931  31.460
  103   1H5*    G  10          1H5*        G  10   0.887  -7.739  31.072
  104   2H5*    G  10          2H5*        G  10   1.243  -9.142  32.104
  105    H4*    G  10           H4*        G  10   2.539  -7.331  32.951
  106    H3*    G  10           H3*        G  10   0.538  -8.480  34.573
  107    H1*    G  10           H1*        G  10   1.569  -4.783  34.566
  108    H8     G  10           H8         G  10  -2.098  -5.529  33.481
  109    H1     G  10           H1         G  10  -0.507   0.658  33.716
  110   1H2     G  10          1H2         G  10   2.663  -0.509  34.557
  111   2H2     G  10          2H2         G  10   1.630   0.874  34.267
  112   1H2*    G  10          1H2*        G  10  -0.774  -6.620  35.015
  113   2H2*    G  10          2H2*        G  10   0.579  -6.197  36.118
  114   1H5*    C  11          1H5*        C  11   3.574  -5.599  35.923
  115   2H5*    C  11          2H5*        C  11   4.505  -5.987  37.380
  116    H4*    C  11           H4*        C  11   4.197  -3.579  37.228
  117    H3*    C  11           H3*        C  11   2.989  -5.045  39.447
  118    H1*    C  11           H1*        C  11   2.051  -1.741  37.709
  119   1H4     C  11          1H4         C  11  -4.091  -1.158  36.344
  120   2H4     C  11          2H4         C  11  -4.348  -2.889  36.433
  121    H5     C  11           H5         C  11  -2.597  -4.456  37.015
  122    H6     C  11           H6         C  11  -0.239  -4.686  37.627
  123   1H2*    C  11          1H2*        C  11   1.042  -3.872  39.597
  124   2H2*    C  11          2H2*        C  11   2.037  -2.423  39.972
  125   1H5*    G  12          1H5*        G  12   4.324  -0.509  40.030
  126   2H5*    G  12          2H5*        G  12   5.057  -0.446  41.647
  127    H4*    G  12           H4*        G  12   3.646   1.536  41.215
  128    H3*    G  12           H3*        G  12   3.199  -0.303  43.414
  129    H1*    G  12           H1*        G  12   0.709   1.948  41.505
  130    H8     G  12           H8         G  12   0.103  -1.908  41.699
  131    H1     G  12           H1         G  12  -4.682   1.587  39.275
  132   1H2     G  12          1H2         G  12  -2.563   4.291  39.832
  133   2H2     G  12          2H2         G  12  -4.115   3.731  39.258
  134    H3T    G  12           H3T        G  12   3.086   1.729  44.517
  135   1H2*    G  12          1H2*        G  12   0.931  -0.356  43.429
  136   2H2*    G  12          2H2*        G  12   0.962   1.409  43.762
  137   1H5*    C  13          1H5*        C  13 -11.695   6.653  40.431
  138   2H5*    C  13          2H5*        C  13 -11.468   7.779  39.076
  139    H4*    C  13           H4*        C  13  -9.470   7.785  40.567
  140    H3*    C  13           H3*        C  13  -9.498   7.311  37.760
  141    H1*    C  13           H1*        C  13  -7.060   5.868  40.426
  142   1H4     C  13          1H4         C  13  -6.307  -0.401  39.785
  143   2H4     C  13          2H4         C  13  -7.827  -0.556  38.930
  144    H5     C  13           H5         C  13  -9.244   1.322  38.404
  145    H6     C  13           H6         C  13  -9.517   3.748  38.596
  146    H5T    C  13           H5T        C  13 -10.837   5.975  37.813
  147   1H2*    C  13          1H2*        C  13  -8.148   5.473  37.643
  148   2H2*    C  13          2H2*        C  13  -6.800   6.557  38.129
  149   1H5*    G  14          1H5*        G  14  -5.262   8.215  39.429
  150   2H5*    G  14          2H5*        G  14  -5.016   9.842  38.764
  151    H4*    G  14           H4*        G  14  -2.871   8.786  38.756
  152    H3*    G  14           H3*        G  14  -4.011   9.500  36.295
  153    H1*    G  14           H1*        G  14  -1.883   6.380  36.905
  154    H8     G  14           H8         G  14  -5.579   5.632  35.889
  155    H1     G  14           H1         G  14  -1.844   0.519  36.815
  156   1H2     G  14          1H2         G  14   0.581   2.866  37.707
  157   2H2     G  14          2H2         G  14   0.175   1.175  37.490
  158   1H2*    G  14          1H2*        G  14  -4.235   7.412  35.309
  159   2H2*    G  14          2H2*        G  14  -2.479   7.613  35.009
  160   1H5*    C  15          1H5*        C  15   0.390   8.230  37.101
  161   2H5*    C  15          2H5*        C  15   1.529   9.223  36.165
  162    H4*    C  15           H4*        C  15   2.447   6.970  36.543
  163    H3*    C  15           H3*        C  15   2.102   8.064  33.921
  164    H1*    C  15           H1*        C  15   1.972   4.401  35.114
  165   1H4     C  15          1H4         C  15  -3.088   1.180  33.031
  166   2H4     C  15          2H4         C  15  -3.958   2.657  32.664
  167    H5     C  15           H5         C  15  -3.007   4.859  32.968
  168    H6     C  15           H6         C  15  -1.035   6.103  33.725
  169   1H2*    C  15          1H2*        C  15   1.174   6.254  32.865
  170   2H2*    C  15          2H2*        C  15   2.744   5.436  33.149
  171   1H5*    G  16          1H5*        G  16   4.944   4.361  34.849
  172   2H5*    G  16          2H5*        G  16   6.503   4.963  34.254
  173    H4*    G  16           H4*        G  16   6.442   2.577  33.899
  174    H3*    G  16           H3*        G  16   6.877   4.312  31.779
  175    H1*    G  16           H1*        G  16   4.861   1.122  31.496
  176    H8     G  16           H8         G  16   2.677   4.282  31.026
  177    H1     G  16           H1         G  16  -0.429  -1.278  30.462
  178   1H2     G  16          1H2         G  16   2.629  -2.712  31.296
  179   2H2     G  16          2H2         G  16   0.950  -2.963  30.868
  180   1H2*    G  16          1H2*        G  16   4.835   4.039  30.663
  181   2H2*    G  16          2H2*        G  16   5.759   2.673  29.936
  182   1H5*    A  17          1H5*        A  17   7.038  -0.296  31.623
  183   2H5*    A  17          2H5*        A  17   8.668  -0.702  31.056
  184    H4*    A  17           H4*        A  17   7.287  -2.600  30.625
  185    H3*    A  17           H3*        A  17   8.513  -1.315  28.464
  186    H1*    A  17           H1*        A  17   4.971  -2.799  28.323
  187    H8     A  17           H8         A  17   5.115   1.107  28.397
  188   1H6     A  17          1H6         A  17   0.491   1.904  27.283
  189   2H6     A  17          2H6         A  17  -0.868   0.860  26.930
  190    H2     A  17           H2         A  17   0.646  -3.367  27.243
  191   1H2*    A  17          1H2*        A  17   6.664  -0.504  27.334
  192   2H2*    A  17          2H2*        A  17   6.584  -2.197  26.739
  193   1H5*    A  18          1H5*        A  18   6.092  -5.328  28.030
  194   2H5*    A  18          2H5*        A  18   7.210  -6.446  27.216
  195    H4*    A  18           H4*        A  18   4.908  -7.032  26.676
  196    H3*    A  18           H3*        A  18   6.846  -6.535  24.709
  197    H1*    A  18           H1*        A  18   3.131  -5.595  24.399
  198    H8     A  18           H8         A  18   5.591  -2.555  24.518
  199   1H6     A  18          1H6         A  18   2.257   0.888  23.922
  200   2H6     A  18          2H6         A  18   0.518   0.867  23.727
  201    H2     A  18           H2         A  18  -0.746  -3.449  23.904
  202   1H2*    A  18          1H2*        A  18   5.905  -4.714  23.622
  203   2H2*    A  18          2H2*        A  18   4.858  -5.970  22.888
  204   1H5*    T  19          1H5*        T  19   2.758  -8.199  24.017
  205   2H5*    T  19          2H5*        T  19   2.707  -9.686  23.043
  206    H4*    T  19           H4*        T  19   0.650  -8.436  22.686
  207    H3*    T  19           H3*        T  19   2.458  -8.927  20.497
  208   1H2*    T  19          1H2*        T  19   2.434  -6.864  19.523
  209   2H2*    T  19          2H2*        T  19   0.699  -7.156  19.179
  210    H1*    T  19           H1*        T  19  -0.003  -6.036  21.091
  211    H3     T  19           H3         T  19   0.686  -1.676  20.484
  212   1H5M    T  19          1H5M        T  19   5.287  -2.086  20.541
  213   2H5M    T  19          2H5M        T  19   5.480  -3.738  19.907
  214   3H5M    T  19          3H5M        T  19   5.452  -3.457  21.665
  215    H6     T  19           H6         T  19   3.674  -5.410  20.937
  216   1H5*    T  20          1H5*        T  20  -1.673  -7.557  20.089
  217   2H5*    T  20          2H5*        T  20  -2.667  -8.784  19.282
  218    H4*    T  20           H4*        T  20  -3.668  -6.720  18.681
  219    H3*    T  20           H3*        T  20  -2.363  -8.147  16.620
  220   1H2*    T  20          1H2*        T  20  -0.925  -6.515  15.827
  221   2H2*    T  20          2H2*        T  20  -2.426  -5.761  15.179
  222    H1*    T  20           H1*        T  20  -2.638  -4.321  17.000
  223    H3     T  20           H3         T  20   0.584  -1.222  17.253
  224   1H5M    T  20          1H5M        T  20   3.211  -5.679  17.937
  225   2H5M    T  20          2H5M        T  20   3.984  -4.341  17.059
  226   3H5M    T  20          3H5M        T  20   3.181  -5.651  16.160
  227    H6     T  20           H6         T  20   0.658  -6.016  16.997
  228   1H5*    C  21          1H5*        C  21  -5.378  -4.689  15.892
  229   2H5*    C  21          2H5*        C  21  -6.434  -5.019  14.502
  230    H4*    C  21           H4*        C  21  -5.806  -2.637  14.583
  231    H3*    C  21           H3*        C  21  -5.259  -4.335  12.312
  232    H1*    C  21           H1*        C  21  -3.537  -1.176  13.598
  233   1H4     C  21          1H4         C  21   2.771  -3.265  14.015
  234   2H4     C  21          2H4         C  21   2.797  -1.514  14.089
  235    H5     C  21           H5         C  21   0.740  -4.546  13.755
  236    H6     C  21           H6         C  21  -1.692  -4.418  13.498
  237   1H2*    C  21          1H2*        C  21  -3.149  -3.567  11.793
  238   2H2*    C  21          2H2*        C  21  -3.936  -1.998  11.451
  239   1H5*    G  22          1H5*        G  22  -5.422   0.391  12.099
  240   2H5*    G  22          2H5*        G  22  -6.693   0.647  10.883
  241    H4*    G  22           H4*        G  22  -5.139   2.430  10.617
  242    H3*    G  22           H3*        G  22  -5.492   0.585   8.510
  243    H1*    G  22           H1*        G  22  -2.212   2.361   9.417
  244    H8     G  22           H8         G  22  -2.200  -1.521   9.760
  245    H1     G  22           H1         G  22   3.371   1.365  10.984
  246   1H2     G  22          1H2         G  22   3.140   3.565  10.819
  247   2H2     G  22          2H2         G  22   1.610   4.315  10.417
  248   1H2*    G  22          1H2*        G  22  -3.321  -0.181   8.247
  249   2H2*    G  22          2H2*        G  22  -3.076   1.423   7.478
  250   1H5*    C  23          1H5*        C  23  -3.302   4.385   8.222
  251   2H5*    C  23          2H5*        C  23  -3.680   5.475   6.877
  252    H4*    C  23           H4*        C  23  -1.325   5.677   7.449
  253    H3*    C  23           H3*        C  23  -2.079   4.629   4.826
  254    H1*    C  23           H1*        C  23   1.042   4.124   7.024
  255   1H4     C  23          1H4         C  23   2.929  -1.887   7.521
  256   2H4     C  23          2H4         C  23   1.354  -2.494   7.051
  257    H5     C  23           H5         C  23  -0.490  -1.050   6.441
  258    H6     C  23           H6         C  23  -1.207   1.273   6.164
  259   1H2*    C  23          1H2*        C  23  -0.438   3.063   4.615
  260   2H2*    C  23          2H2*        C  23   0.749   4.409   4.696
  261   1H5*    G  24          1H5*        G  24   1.993   7.018   5.358
  262   2H5*    G  24          2H5*        G  24   2.122   8.056   3.922
  263    H4*    G  24           H4*        G  24   4.303   7.057   4.513
  264    H3*    G  24           H3*        G  24   3.001   6.654   1.948
  265    H1*    G  24           H1*        G  24   5.488   4.408   3.867
  266    H8     G  24           H8         G  24   1.994   3.012   2.813
  267    H1     G  24           H1         G  24   6.170  -1.270   5.094
  268   1H2     G  24          1H2         G  24   8.304   1.461   5.422
  269   2H2     G  24          2H2         G  24   8.073  -0.260   5.622
  270    H3T    G  24           H3T        G  24   4.599   8.207   2.398
  271   1H2*    G  24          1H2*        G  24   3.545   4.486   1.571
  272   2H2*    G  24          2H2*        G  24   5.271   4.981   1.614
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   8.363   5.100   0.785
    2   2H5*    C   1          2H5*        C   1   9.025   5.991   2.171
    3    H4*    C   1           H4*        C   1   6.838   6.957   1.469
    4    H3*    C   1           H3*        C   1   7.548   6.062   4.074
    5    H2*    C   1           H2*        C   1   5.692   4.831   4.598
    6    H1*    C   1           H1*        C   1   4.045   6.051   2.388
    7   1H4     C   1          1H4         C   1   1.090   0.472   3.050
    8   2H4     C   1          2H4         C   1   2.600  -0.360   3.355
    9    H5     C   1           H5         C   1   4.734   0.759   3.427
   10    H6     C   1           H6         C   1   5.879   2.916   3.230
   11    H5T    C   1           H5T        C   1   8.175   4.349   3.515
   12   2H2*    C   1          2H2*        C   1   4.804   6.393   4.651
   13   1H5*    G   2          1H5*        G   2   3.723   8.675   3.991
   14   2H5*    G   2          2H5*        G   2   4.326  10.155   4.764
   15    H4*    G   2           H4*        G   2   2.048   9.909   5.460
   16    H3*    G   2           H3*        G   2   4.064   9.807   7.405
   17    H2*    G   2           H2*        G   2   3.787   7.637   8.179
   18    H1*    G   2           H1*        G   2   0.849   7.749   7.465
   19    H8     G   2           H8         G   2   4.097   5.602   7.183
   20    H1     G   2           H1         G   2  -1.403   2.340   7.394
   21   1H2     G   2          1H2         G   2  -2.893   5.495   7.391
   22   2H2     G   2          2H2         G   2  -3.120   3.758   7.424
   23   2H2*    G   2          2H2*        G   2   2.426   8.378   9.081
   24   1H5*    C   3          1H5*        C   3  -0.502  10.218   8.081
   25   2H5*    C   3          2H5*        C   3  -0.873  11.391   9.365
   26    H4*    C   3           H4*        C   3  -2.617   9.658   9.248
   27    H3*    C   3           H3*        C   3  -1.138  10.173  11.642
   28    H2*    C   3           H2*        C   3  -0.658   8.023  12.265
   29    H1*    C   3           H1*        C   3  -2.718   6.904  10.356
   30   1H4     C   3          1H4         C   3   2.588   2.905  10.684
   31   2H4     C   3          2H4         C   3   1.168   1.882  10.597
   32    H5     C   3           H5         C   3   2.475   5.322  10.740
   33    H6     C   3           H6         C   3   0.972   7.258  10.698
   34   2H2*    C   3          2H2*        C   3  -2.423   7.829  12.503
   35   1H5*    G   4          1H5*        G   4  -5.320   7.840  11.599
   36   2H5*    G   4          2H5*        G   4  -6.267   8.825  12.730
   37    H4*    G   4           H4*        G   4  -6.979   6.523  12.942
   38    H3*    G   4           H3*        G   4  -6.091   7.959  15.139
   39    H2*    G   4           H2*        G   4  -4.047   6.854  15.492
   40    H1*    G   4           H1*        G   4  -5.393   4.278  14.618
   41    H8     G   4           H8         G   4  -2.166   6.408  14.422
   42    H1     G   4           H1         G   4  -1.322   0.115  13.672
   43   1H2     G   4          1H2         G   4  -3.280  -0.922  13.702
   44   2H2     G   4          2H2         G   4  -4.789  -0.058  13.900
   45   2H2*    G   4          2H2*        G   4  -5.137   5.780  16.442
   46   1H5*    A   5          1H5*        A   5  -7.854   3.677  15.167
   47   2H5*    A   5          2H5*        A   5  -9.261   3.757  16.241
   48    H4*    A   5           H4*        A   5  -8.613   1.464  16.118
   49    H3*    A   5           H3*        A   5  -8.554   2.745  18.601
   50    H2*    A   5           H2*        A   5  -6.286   2.719  19.056
   51    H1*    A   5           H1*        A   5  -5.923   0.167  17.485
   52    H8     A   5           H8         A   5  -4.677   3.872  17.599
   53   1H6     A   5          1H6         A   5   0.021   2.942  17.037
   54   2H6     A   5          2H6         A   5   0.952   1.472  16.853
   55    H2     A   5           H2         A   5  -1.991  -1.931  16.936
   56   2H2*    A   5          2H2*        A   5  -6.641   1.025  19.539
   57   1H5*    A   6          1H5*        A   6  -7.690  -1.841  18.043
   58   2H5*    A   6          2H5*        A   6  -8.825  -2.649  19.144
   59    H4*    A   6           H4*        A   6  -6.845  -4.032  18.856
   60    H3*    A   6           H3*        A   6  -7.745  -3.214  21.385
   61    H2*    A   6           H2*        A   6  -5.917  -1.988  22.116
   62    H1*    A   6           H1*        A   6  -4.053  -3.620  20.400
   63    H8     A   6           H8         A   6  -5.141   0.046  21.228
   64   1H6     A   6          1H6         A   6   0.806   1.429  20.333
   65   2H6     A   6          2H6         A   6  -0.773   2.054  20.759
   66    H2     A   6           H2         A   6   0.285  -2.976  19.571
   67   2H2*    A   6          2H2*        A   6  -5.221  -3.615  22.412
   68   1H5*    T   7          1H5*        T   7  -4.579  -6.224  20.558
   69   2H5*    T   7          2H5*        T   7  -4.744  -7.779  21.406
   70    H4*    T   7           H4*        T   7  -2.383  -7.335  21.043
   71    H3*    T   7           H3*        T   7  -3.426  -7.519  23.725
   72   1H2*    T   7          1H2*        T   7  -2.339  -5.744  24.659
   73   2H2*    T   7          2H2*        T   7  -0.819  -6.645  24.356
   74    H1*    T   7           H1*        T   7  -0.432  -5.564  22.330
   75    H3     T   7           H3         T   7   0.797  -1.381  23.261
   76   1H5M    T   7          1H5M        T   7  -4.403  -1.237  23.801
   77   2H5M    T   7          2H5M        T   7  -3.388  -0.177  24.810
   78   3H5M    T   7          3H5M        T   7  -3.958  -1.738  25.450
   79    H6     T   7           H6         T   7  -3.351  -3.747  23.791
   80   1H5*    T   8          1H5*        T   8   0.808  -7.661  22.637
   81   2H5*    T   8          2H5*        T   8   1.500  -9.252  23.015
   82    H4*    T   8           H4*        T   8   3.312  -7.740  23.257
   83    H3*    T   8           H3*        T   8   2.318  -8.938  25.622
   84   1H2*    T   8          1H2*        T   8   1.939  -7.061  26.917
   85   2H2*    T   8          2H2*        T   8   3.734  -6.953  26.981
   86    H1*    T   8           H1*        T   8   3.832  -5.413  25.240
   87    H3     T   8           H3         T   8   2.072  -1.425  26.248
   88   1H5M    T   8          1H5M        T   8  -2.074  -4.583  26.424
   89   2H5M    T   8          2H5M        T   8  -1.968  -3.230  27.573
   90   3H5M    T   8          3H5M        T   8  -1.458  -4.862  28.068
   91    H6     T   8           H6         T   8   0.335  -5.899  26.382
   92   1H5*    C   9          1H5*        C   9   6.441  -6.842  25.275
   93   2H5*    C   9          2H5*        C   9   7.701  -7.707  26.180
   94    H4*    C   9           H4*        C   9   7.994  -5.267  26.375
   95    H3*    C   9           H3*        C   9   7.649  -7.002  28.655
   96    H2*    C   9           H2*        C   9   6.260  -5.665  29.921
   97    H1*    C   9           H1*        C   9   6.862  -3.297  28.141
   98   1H4     C   9          1H4         C   9   1.049  -1.441  29.922
   99   2H4     C   9          2H4         C   9   0.467  -3.093  29.973
  100    H5     C   9           H5         C   9   1.869  -5.004  29.491
  101    H6     C   9           H6         C   9   4.123  -5.728  28.863
  102   2H2*    C   9          2H2*        C   9   7.624  -4.512  29.984
  103   1H5*    G  10          1H5*        G  10   9.719  -2.655  28.971
  104   2H5*    G  10          2H5*        G  10  11.230  -3.063  29.815
  105    H4*    G  10           H4*        G  10  10.494  -0.913  30.598
  106    H3*    G  10           H3*        G  10  10.779  -3.086  32.386
  107    H2*    G  10           H2*        G  10   8.646  -3.165  33.287
  108    H1*    G  10           H1*        G  10   8.216  -0.253  32.640
  109    H8     G  10           H8         G  10   6.719  -3.821  32.161
  110    H1     G  10           H1         G  10   2.463   0.882  32.932
  111   1H2     G  10          1H2         G  10   5.252   2.961  33.045
  112   2H2     G  10          2H2         G  10   3.508   2.829  33.125
  113   2H2*    G  10          2H2*        G  10   9.196  -1.702  34.173
  114   1H5*    C  11          1H5*        C  11  10.114   1.221  33.460
  115   2H5*    C  11          2H5*        C  11  11.309   1.853  34.606
  116    H4*    C  11           H4*        C  11   9.215   3.046  34.901
  117    H3*    C  11           H3*        C  11  10.243   1.398  37.062
  118    H2*    C  11           H2*        C  11   8.288   0.472  37.778
  119    H1*    C  11           H1*        C  11   6.609   2.356  36.134
  120   1H4     C  11          1H4         C  11   2.654  -2.579  35.965
  121   2H4     C  11          2H4         C  11   3.974  -3.718  35.803
  122    H5     C  11           H5         C  11   6.299  -3.060  35.827
  123    H6     C  11           H6         C  11   7.845  -1.163  35.967
  124   2H2*    C  11          2H2*        C  11   7.748   2.140  38.177
  125   1H5*    G  12          1H5*        G  12   7.649   5.311  38.016
  126   2H5*    G  12          2H5*        G  12   8.470   6.088  39.385
  127    H4*    G  12           H4*        G  12   6.028   6.278  39.606
  128    H3*    G  12           H3*        G  12   7.697   5.025  41.579
  129    H2*    G  12           H2*        G  12   6.497   3.158  42.061
  130    H1*    G  12           H1*        G  12   4.020   4.129  40.670
  131    H8     G  12           H8         G  12   6.868   1.476  40.417
  132    H1     G  12           H1         G  12   0.946  -0.665  39.280
  133   1H2     G  12          1H2         G  12  -0.016   2.642  39.807
  134   2H2     G  12          2H2         G  12  -0.507   1.006  39.433
  135    H3T    G  12           H3T        G  12   5.277   6.509  41.757
  136   2H2*    G  12          2H2*        G  12   5.208   4.251  42.667
  137   1H5*    C  13          1H5*        C  13  -6.143  -4.783  41.927
  138   2H5*    C  13          2H5*        C  13  -7.373  -4.229  40.772
  139    H4*    C  13           H4*        C  13  -6.266  -2.284  41.866
  140    H3*    C  13           H3*        C  13  -6.536  -2.734  39.080
  141    H2*    C  13           H2*        C  13  -4.390  -2.327  38.392
  142    H1*    C  13           H1*        C  13  -3.633  -0.917  40.946
  143   1H4     C  13          1H4         C  13   2.049  -3.032  39.029
  144   2H4     C  13          2H4         C  13   1.348  -4.515  38.411
  145    H5     C  13           H5         C  13  -1.007  -4.995  38.490
  146    H6     C  13           H6         C  13  -3.207  -4.156  39.157
  147    H5T    C  13           H5T        C  13  -4.707  -4.928  40.105
  148   2H2*    C  13          2H2*        C  13  -4.712  -0.605  38.801
  149   1H5*    G  14          1H5*        G  14  -5.228   1.431  40.145
  150   2H5*    G  14          2H5*        G  14  -6.576   2.490  39.682
  151    H4*    G  14           H4*        G  14  -4.585   3.700  39.157
  152    H3*    G  14           H3*        G  14  -6.286   2.965  37.061
  153    H2*    G  14           H2*        G  14  -4.895   1.529  35.879
  154    H1*    G  14           H1*        G  14  -2.478   3.071  36.850
  155    H8     G  14           H8         G  14  -3.967  -0.497  36.299
  156    H1     G  14           H1         G  14   2.418  -0.062  36.136
  157   1H2     G  14          1H2         G  14   1.873   3.276  36.993
  158   2H2     G  14          2H2         G  14   3.038   2.020  36.628
  159   2H2*    G  14          2H2*        G  14  -4.214   3.072  35.268
  160   1H5*    C  15          1H5*        C  15  -2.679   5.905  37.016
  161   2H5*    C  15          2H5*        C  15  -3.099   7.359  36.084
  162    H4*    C  15           H4*        C  15  -0.676   6.990  36.014
  163    H3*    C  15           H3*        C  15  -2.251   7.149  33.656
  164    H2*    C  15           H2*        C  15  -1.503   5.286  32.544
  165    H1*    C  15           H1*        C  15   0.952   5.103  34.298
  166   1H4     C  15          1H4         C  15   0.547  -1.001  32.595
  167   2H4     C  15          2H4         C  15  -1.204  -0.953  32.589
  168    H5     C  15           H5         C  15  -2.473   1.046  33.085
  169    H6     C  15           H6         C  15  -2.319   3.412  33.723
  170   2H2*    C  15          2H2*        C  15   0.050   6.168  32.402
  171   1H5*    G  16          1H5*        G  16   2.571   7.574  33.548
  172   2H5*    G  16          2H5*        G  16   2.716   9.149  32.743
  173    H4*    G  16           H4*        G  16   4.577   7.759  32.059
  174    H3*    G  16           H3*        G  16   2.887   8.917  30.194
  175    H2*    G  16           H2*        G  16   1.788   6.980  29.445
  176    H1*    G  16           H1*        G  16   4.395   5.469  29.798
  177    H8     G  16           H8         G  16   0.551   5.338  30.220
  178    H1     G  16           H1         G  16   3.408  -0.343  29.547
  179   1H2     G  16          1H2         G  16   6.359   1.499  29.544
  180   2H2     G  16          2H2         G  16   5.605  -0.077  29.437
  181   2H2*    G  16          2H2*        G  16   3.223   6.949  28.358
  182   1H5*    A  17          1H5*        A  17   6.724   6.441  29.336
  183   2H5*    A  17          2H5*        A  17   7.764   7.542  28.415
  184    H4*    A  17           H4*        A  17   8.525   5.324  27.963
  185    H3*    A  17           H3*        A  17   7.595   6.884  25.841
  186    H2*    A  17           H2*        A  17   5.703   5.704  25.222
  187    H1*    A  17           H1*        A  17   6.935   3.104  26.134
  188    H8     A  17           H8         A  17   3.826   5.391  26.755
  189   1H6     A  17          1H6         A  17   0.505   1.894  26.781
  190   2H6     A  17          2H6         A  17   0.572   0.158  26.576
  191    H2     A  17           H2         A  17   4.901  -0.896  25.949
  192   2H2*    A  17          2H2*        A  17   6.912   4.664  24.392
  193   1H5*    A  18          1H5*        A  18   9.491   2.616  25.288
  194   2H5*    A  18          2H5*        A  18  10.806   2.856  24.118
  195    H4*    A  18           H4*        A  18   9.969   0.579  23.943
  196    H3*    A  18           H3*        A  18  10.073   2.308  21.736
  197    H2*    A  18           H2*        A  18   7.826   2.426  21.175
  198    H1*    A  18           H1*        A  18   7.327  -0.310  22.338
  199    H8     A  18           H8         A  18   6.109   3.405  22.441
  200   1H6     A  18          1H6         A  18   1.417   2.450  23.082
  201   2H6     A  18          2H6         A  18   0.494   0.971  23.239
  202    H2     A  18           H2         A  18   3.443  -2.419  22.977
  203   2H2*    A  18          2H2*        A  18   8.145   0.807  20.467
  204   1H5*    T  19          1H5*        T  19   9.207  -2.052  21.626
  205   2H5*    T  19          2H5*        T  19  10.156  -3.003  20.460
  206    H4*    T  19           H4*        T  19   7.981  -4.054  20.744
  207    H3*    T  19           H3*        T  19   8.765  -3.012  18.172
  208   1H2*    T  19          1H2*        T  19   6.809  -1.999  17.582
  209   2H2*    T  19          2H2*        T  19   6.082  -3.639  17.566
  210    H1*    T  19           H1*        T  19   5.294  -3.448  19.749
  211    H3     T  19           H3         T  19   1.865  -0.600  19.669
  212   1H5M    T  19          1H5M        T  19   5.845   2.281  17.826
  213   2H5M    T  19          2H5M        T  19   6.033   2.556  19.575
  214   3H5M    T  19          3H5M        T  19   4.537   3.058  18.750
  215    H6     T  19           H6         T  19   6.581  -0.036  18.946
  216   1H5*    T  20          1H5*        T  20   5.423  -5.752  18.904
  217   2H5*    T  20          2H5*        T  20   5.728  -7.319  18.129
  218    H4*    T  20           H4*        T  20   3.366  -7.089  18.106
  219    H3*    T  20           H3*        T  20   4.693  -6.954  15.610
  220   1H2*    T  20          1H2*        T  20   3.851  -4.964  14.793
  221   2H2*    T  20          2H2*        T  20   2.310  -5.879  14.632
  222    H1*    T  20           H1*        T  20   1.484  -5.091  16.659
  223    H3     T  20           H3         T  20   0.616  -0.702  16.679
  224   1H5M    T  20          1H5M        T  20   5.343  -1.055  14.405
  225   2H5M    T  20          2H5M        T  20   5.793  -0.834  16.111
  226   3H5M    T  20          3H5M        T  20   4.867   0.428  15.267
  227    H6     T  20           H6         T  20   4.556  -3.257  15.680
  228   1H5*    C  21          1H5*        C  21   0.158  -7.697  16.144
  229   2H5*    C  21          2H5*        C  21  -0.471  -8.895  14.992
  230    H4*    C  21           H4*        C  21  -2.090  -7.067  15.337
  231    H3*    C  21           H3*        C  21  -1.022  -7.767  12.750
  232    H2*    C  21           H2*        C  21  -0.714  -5.645  11.900
  233    H1*    C  21           H1*        C  21  -2.395  -4.476  14.124
  234   1H4     C  21          1H4         C  21   2.626  -0.327  12.753
  235   2H4     C  21          2H4         C  21   1.228   0.655  13.144
  236    H5     C  21           H5         C  21   2.573  -2.745  12.714
  237    H6     C  21           H6         C  21   1.166  -4.724  13.034
  238   2H2*    C  21          2H2*        C  21  -2.489  -5.473  12.012
  239   1H5*    G  22          1H5*        G  22  -5.174  -5.392  13.324
  240   2H5*    G  22          2H5*        G  22  -6.273  -6.382  12.336
  241    H4*    G  22           H4*        G  22  -6.938  -4.087  12.105
  242    H3*    G  22           H3*        G  22  -6.093  -5.580   9.852
  243    H2*    G  22           H2*        G  22  -4.399  -4.223   9.057
  244    H1*    G  22           H1*        G  22  -5.605  -1.815  10.407
  245    H8     G  22           H8         G  22  -2.349  -3.935  10.092
  246    H1     G  22           H1         G  22  -1.485   2.366  10.731
  247   1H2     G  22          1H2         G  22  -3.442   3.379  10.979
  248   2H2     G  22          2H2         G  22  -4.954   2.497  10.993
  249   2H2*    G  22          2H2*        G  22  -5.761  -3.176   8.530
  250   1H5*    C  23          1H5*        C  23  -8.127  -1.644   9.731
  251   2H5*    C  23          2H5*        C  23  -9.532  -1.511   8.659
  252    H4*    C  23           H4*        C  23  -8.390   0.634   8.771
  253    H3*    C  23           H3*        C  23  -8.508  -0.801   6.235
  254    H2*    C  23           H2*        C  23  -6.410  -0.329   5.475
  255    H1*    C  23           H1*        C  23  -5.960   1.733   7.630
  256   1H4     C  23          1H4         C  23   0.080   0.009   6.948
  257   2H4     C  23          2H4         C  23  -0.351  -1.672   6.708
  258    H5     C  23           H5         C  23  -2.641  -2.454   6.654
  259    H6     C  23           H6         C  23  -4.990  -1.790   6.854
  260   2H2*    C  23          2H2*        C  23  -6.887   1.404   5.492
  261   1H5*    G  24          1H5*        G  24  -8.231   3.966   6.319
  262   2H5*    G  24          2H5*        G  24  -9.373   4.508   5.072
  263    H4*    G  24           H4*        G  24  -7.325   5.875   5.046
  264    H3*    G  24           H3*        G  24  -8.247   4.356   2.769
  265    H2*    G  24           H2*        G  24  -6.277   3.531   1.993
  266    H1*    G  24           H1*        G  24  -4.630   5.330   3.753
  267    H8     G  24           H8         G  24  -5.600   1.576   3.276
  268    H1     G  24           H1         G  24   0.627   2.788   4.138
  269   1H2     G  24          1H2         G  24  -0.379   6.114   4.367
  270   2H2     G  24          2H2         G  24   0.941   4.968   4.398
  271    H3T    G  24           H3T        G  24  -6.979   6.887   3.052
  272   2H2*    G  24          2H2*        G  24  -5.767   5.233   1.720
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1  15.625  -0.843   7.341
    2   2H5*    C   1          2H5*        C   1  15.967  -0.276   8.991
    3    H4*    C   1           H4*        C   1  15.040   1.579   7.603
    4    H3*    C   1           H3*        C   1  14.020   0.652  10.097
    5    H2*    C   1           H2*        C   1  11.795   0.548   9.607
    6    H1*    C   1           H1*        C   1  12.087   2.225   7.115
    7   1H4     C   1          1H4         C   1   6.857  -1.057   5.652
    8   2H4     C   1          2H4         C   1   7.485  -2.511   6.400
    9    H5     C   1           H5         C   1   9.623  -2.605   7.515
   10    H6     C   1           H6         C   1  11.629  -1.336   8.123
   11    H5T    C   1           H5T        C   1  13.585  -1.584   8.190
   12   2H2*    C   1          2H2*        C   1  11.831   2.342   9.517
   13   1H5*    G   2          1H5*        G   2  12.506   4.908   8.862
   14   2H5*    G   2          2H5*        G   2  13.352   5.889  10.076
   15    H4*    G   2           H4*        G   2  11.229   6.945   9.670
   16    H3*    G   2           H3*        G   2  11.816   5.994  12.238
   17    H2*    G   2           H2*        G   2  10.178   4.369  12.476
   18    H1*    G   2           H1*        G   2   8.350   5.890  10.611
   19    H8     G   2           H8         G   2   9.907   2.390  11.349
   20    H1     G   2           H1         G   2   4.030   2.352   8.835
   21   1H2     G   2          1H2         G   2   4.400   5.813   8.707
   22   2H2     G   2          2H2         G   2   3.381   4.427   8.383
   23   2H2*    G   2          2H2*        G   2   9.130   5.784  12.814
   24   1H5*    C   3          1H5*        C   3   8.199   8.625  10.983
   25   2H5*    C   3          2H5*        C   3   8.032   9.972  12.129
   26    H4*    C   3           H4*        C   3   5.840   9.429  11.222
   27    H3*    C   3           H3*        C   3   6.374   9.115  14.044
   28    H2*    C   3           H2*        C   3   5.196   7.209  14.439
   29    H1*    C   3           H1*        C   3   3.912   7.236  11.718
   30   1H4     C   3          1H4         C   3   5.852   1.089  13.382
   31   2H4     C   3          2H4         C   3   4.291   0.940  12.600
   32    H5     C   3           H5         C   3   6.941   3.211  13.770
   33    H6     C   3           H6         C   3   6.758   5.633  13.495
   34   2H2*    C   3          2H2*        C   3   3.727   8.078  13.893
   35   1H5*    G   4          1H5*        G   4   2.262   9.648  12.334
   36   2H5*    G   4          2H5*        G   4   1.436  11.011  13.116
   37    H4*    G   4           H4*        G   4  -0.201   9.297  12.627
   38    H3*    G   4           H3*        G   4   0.114  10.261  15.212
   39    H2*    G   4           H2*        G   4   1.141   8.376  16.165
   40    H1*    G   4           H1*        G   4  -0.640   6.668  14.403
   41    H8     G   4           H8         G   4   2.895   7.004  15.962
   42    H1     G   4           H1         G   4   1.026   1.070  14.467
   43   1H2     G   4          1H2         G   4  -0.935   1.150  13.432
   44   2H2     G   4          2H2         G   4  -1.762   2.661  13.126
   45   2H2*    G   4          2H2*        G   4  -0.594   7.943  16.400
   46   1H5*    A   5          1H5*        A   5  -2.990   7.169  13.703
   47   2H5*    A   5          2H5*        A   5  -4.590   7.796  14.149
   48    H4*    A   5           H4*        A   5  -4.757   5.400  13.818
   49    H3*    A   5           H3*        A   5  -5.502   6.562  16.252
   50    H2*    A   5           H2*        A   5  -3.896   5.614  17.650
   51    H1*    A   5           H1*        A   5  -3.845   3.163  15.866
   52    H8     A   5           H8         A   5  -1.413   5.828  17.387
   53   1H6     A   5          1H6         A   5   2.043   2.738  18.770
   54   2H6     A   5          2H6         A   5   2.210   0.998  18.682
   55    H2     A   5           H2         A   5  -1.502  -0.556  16.674
   56   2H2*    A   5          2H2*        A   5  -5.042   4.234  17.604
   57   1H5*    A   6          1H5*        A   6  -6.417   1.923  15.155
   58   2H5*    A   6          2H5*        A   6  -8.141   1.767  15.564
   59    H4*    A   6           H4*        A   6  -6.964  -0.371  15.872
   60    H3*    A   6           H3*        A   6  -8.567   0.821  17.833
   61    H2*    A   6           H2*        A   6  -7.012   1.203  19.507
   62    H1*    A   6           H1*        A   6  -5.336  -1.119  18.568
   63    H8     A   6           H8         A   6  -5.122   2.719  19.374
   64   1H6     A   6          1H6         A   6   0.452   1.292  21.619
   65   2H6     A   6          2H6         A   6  -0.696   2.581  21.331
   66    H2     A   6           H2         A   6  -1.414  -2.482  20.030
   67   2H2*    A   6          2H2*        A   6  -7.217  -0.551  19.808
   68   1H5*    T   7          1H5*        T   7  -6.680  -3.361  18.048
   69   2H5*    T   7          2H5*        T   7  -7.909  -4.579  18.449
   70    H4*    T   7           H4*        T   7  -5.739  -5.333  19.271
   71    H3*    T   7           H3*        T   7  -7.909  -4.893  21.082
   72   1H2*    T   7          1H2*        T   7  -6.855  -3.652  22.691
   73   2H2*    T   7          2H2*        T   7  -5.903  -5.129  23.038
   74    H1*    T   7           H1*        T   7  -4.138  -4.483  21.708
   75    H3     T   7           H3         T   7  -2.004  -1.092  23.631
   76   1H5M    T   7          1H5M        T   7  -5.565   1.805  23.239
   77   2H5M    T   7          2H5M        T   7  -6.934   0.667  23.251
   78   3H5M    T   7          3H5M        T   7  -6.253   1.225  21.704
   79    H6     T   7           H6         T   7  -6.427  -1.529  21.817
   80   1H5*    T   8          1H5*        T   8  -4.089  -6.859  22.227
   81   2H5*    T   8          2H5*        T   8  -4.423  -8.556  22.621
   82    H4*    T   8           H4*        T   8  -2.554  -7.967  23.970
   83    H3*    T   8           H3*        T   8  -4.996  -8.466  25.311
   84   1H2*    T   8          1H2*        T   8  -5.206  -6.530  26.544
   85   2H2*    T   8          2H2*        T   8  -3.830  -7.193  27.498
   86    H1*    T   8           H1*        T   8  -2.255  -5.936  26.321
   87    H3     T   8           H3         T   8  -2.598  -1.530  26.993
   88   1H5M    T   8          1H5M        T   8  -7.553  -3.059  26.231
   89   2H5M    T   8          2H5M        T   8  -7.076  -2.655  24.566
   90   3H5M    T   8          3H5M        T   8  -7.056  -1.399  25.824
   91    H6     T   8           H6         T   8  -5.710  -4.855  25.483
   92   1H5*    C   9          1H5*        C   9  -0.665  -8.562  27.413
   93   2H5*    C   9          2H5*        C   9  -0.718  -9.893  28.591
   94    H4*    C   9           H4*        C   9   0.632  -8.051  29.462
   95    H3*    C   9           H3*        C   9  -1.734  -9.034  30.807
   96    H2*    C   9           H2*        C   9  -2.611  -7.050  31.550
   97    H1*    C   9           H1*        C   9  -0.099  -5.554  30.874
   98   1H4     C   9          1H4         C   9  -4.225  -0.811  29.865
   99   2H4     C   9          2H4         C   9  -5.423  -1.914  29.216
  100    H5     C   9           H5         C   9  -5.083  -4.296  29.067
  101    H6     C   9           H6         C   9  -3.517  -6.132  29.495
  102   2H2*    C   9          2H2*        C   9  -1.098  -6.852  32.487
  103   1H5*    G  10          1H5*        G  10   1.898  -6.932  33.097
  104   2H5*    G  10          2H5*        G  10   2.255  -8.093  34.397
  105    H4*    G  10           H4*        G  10   2.661  -5.849  35.206
  106    H3*    G  10           H3*        G  10   0.846  -7.596  36.475
  107    H2*    G  10           H2*        G  10  -1.096  -6.353  36.398
  108    H1*    G  10           H1*        G  10   0.431  -3.770  36.204
  109    H8     G  10           H8         G  10  -2.308  -5.981  34.557
  110    H1     G  10           H1         G  10  -3.206   0.324  33.948
  111   1H2     G  10          1H2         G  10  -0.106   0.605  35.509
  112   2H2     G  10          2H2         G  10  -1.484   1.423  34.805
  113   2H2*    G  10          2H2*        G  10  -0.294  -5.397  37.687
  114   1H5*    C  11          1H5*        C  11   2.206  -3.815  37.991
  115   2H5*    C  11          2H5*        C  11   2.898  -3.670  39.615
  116    H4*    C  11           H4*        C  11   1.778  -1.598  39.072
  117    H3*    C  11           H3*        C  11   0.694  -3.250  41.216
  118    H2*    C  11           H2*        C  11  -1.520  -2.923  40.791
  119    H1*    C  11           H1*        C  11  -0.926  -0.680  38.850
  120   1H4     C  11          1H4         C  11  -6.392  -2.577  36.284
  121   2H4     C  11          2H4         C  11  -6.028  -4.264  36.589
  122    H5     C  11           H5         C  11  -4.013  -4.998  37.710
  123    H6     C  11           H6         C  11  -1.934  -4.270  38.765
  124   2H2*    C  11          2H2*        C  11  -1.245  -1.186  41.155
  125   1H5*    G  12          1H5*        G  12   0.015   1.476  41.364
  126   2H5*    G  12          2H5*        G  12   0.290   1.906  43.067
  127    H4*    G  12           H4*        G  12  -1.669   3.099  42.136
  128    H3*    G  12           H3*        G  12  -1.809   1.316  44.426
  129    H2*    G  12           H2*        G  12  -3.813   0.333  44.043
  130    H1*    G  12           H1*        G  12  -4.513   2.244  41.828
  131    H8     G  12           H8         G  12  -3.499  -1.492  42.374
  132    H1     G  12           H1         G  12  -8.640  -0.466  38.700
  133   1H2     G  12          1H2         G  12  -8.008   2.902  39.312
  134   2H2     G  12          2H2         G  12  -9.020   1.712  38.528
  135    H3T    G  12           H3T        G  12  -2.941   3.156  45.249
  136   2H2*    G  12          2H2*        G  12  -4.563   1.961  44.145
  137   1H5*    C  13          1H5*        C  13 -17.135   0.785  37.737
  138   2H5*    C  13          2H5*        C  13 -17.151   1.872  36.332
  139    H4*    C  13           H4*        C  13 -15.716   2.804  38.148
  140    H3*    C  13           H3*        C  13 -14.945   2.323  35.450
  141    H2*    C  13           H2*        C  13 -12.937   1.290  35.779
  142    H1*    C  13           H1*        C  13 -12.744   2.177  38.655
  143   1H4     C  13          1H4         C  13  -9.163  -3.059  38.816
  144   2H4     C  13          2H4         C  13 -10.247  -3.907  37.733
  145    H5     C  13           H5         C  13 -12.216  -2.894  36.776
  146    H6     C  13           H6         C  13 -13.579  -0.861  36.668
  147    H5T    C  13           H5T        C  13 -15.544   0.527  35.405
  148   2H2*    C  13          2H2*        C  13 -12.333   2.871  36.379
  149   1H5*    G  14          1H5*        G  14 -12.033   5.120  37.817
  150   2H5*    G  14          2H5*        G  14 -12.384   6.658  37.003
  151    H4*    G  14           H4*        G  14 -10.055   6.699  37.569
  152    H3*    G  14           H3*        G  14 -10.786   6.783  34.866
  153    H2*    G  14           H2*        G  14  -9.840   4.804  34.109
  154    H1*    G  14           H1*        G  14  -7.707   4.976  36.245
  155    H8     G  14           H8         G  14 -10.362   2.629  34.613
  156    H1     G  14           H1         G  14  -5.076  -0.232  36.793
  157   1H2     G  14          1H2         G  14  -4.188   2.950  37.900
  158   2H2     G  14          2H2         G  14  -3.759   1.256  37.784
  159   2H2*    G  14          2H2*        G  14  -8.332   5.773  34.133
  160   1H5*    C  15          1H5*        C  15  -6.549   7.471  36.660
  161   2H5*    C  15          2H5*        C  15  -5.835   8.924  35.927
  162    H4*    C  15           H4*        C  15  -4.049   7.397  36.571
  163    H3*    C  15           H3*        C  15  -4.447   8.108  33.807
  164    H2*    C  15           H2*        C  15  -4.048   6.088  32.831
  165    H1*    C  15           H1*        C  15  -3.003   4.877  35.380
  166   1H4     C  15          1H4         C  15  -5.565  -0.334  32.772
  167   2H4     C  15          2H4         C  15  -6.916   0.582  32.134
  168    H5     C  15           H5         C  15  -7.140   2.972  32.404
  169    H6     C  15           H6         C  15  -6.120   4.984  33.352
  170   2H2*    C  15          2H2*        C  15  -2.398   6.162  33.524
  171   1H5*    G  16          1H5*        G  16  -0.520   6.488  35.455
  172   2H5*    G  16          2H5*        G  16   0.760   7.652  35.062
  173    H4*    G  16           H4*        G  16   1.698   5.425  34.963
  174    H3*    G  16           H3*        G  16   1.862   7.126  32.776
  175    H2*    G  16           H2*        G  16   0.315   6.054  31.377
  176    H1*    G  16           H1*        G  16   1.307   3.412  32.486
  177    H8     G  16           H8         G  16  -1.805   5.383  31.279
  178    H1     G  16           H1         G  16  -2.218  -0.989  30.931
  179   1H2     G  16          1H2         G  16   0.891  -0.933  32.490
  180   2H2     G  16          2H2         G  16  -0.401  -1.902  31.817
  181   2H2*    G  16          2H2*        G  16   1.810   5.142  30.947
  182   1H5*    A  17          1H5*        A  17   3.650   2.876  33.191
  183   2H5*    A  17          2H5*        A  17   5.390   3.025  32.870
  184    H4*    A  17           H4*        A  17   4.731   0.726  32.495
  185    H3*    A  17           H3*        A  17   5.943   2.203  30.454
  186    H2*    A  17           H2*        A  17   4.183   2.302  28.930
  187    H1*    A  17           H1*        A  17   3.201  -0.385  29.929
  188    H8     A  17           H8         A  17   1.941   3.279  29.375
  189   1H6     A  17          1H6         A  17  -2.306   2.140  27.366
  190   2H6     A  17          2H6         A  17  -3.085   0.624  26.969
  191    H2     A  17           H2         A  17  -0.274  -2.645  28.251
  192   2H2*    A  17          2H2*        A  17   4.783   0.661  28.522
  193   1H5*    A  18          1H5*        A  18   5.144  -2.555  30.116
  194   2H5*    A  18          2H5*        A  18   6.722  -3.183  29.589
  195    H4*    A  18           H4*        A  18   4.887  -4.583  28.742
  196    H3*    A  18           H3*        A  18   6.912  -3.526  27.124
  197    H2*    A  18           H2*        A  18   5.687  -2.153  25.714
  198    H1*    A  18           H1*        A  18   3.250  -3.894  26.032
  199    H8     A  18           H8         A  18   4.448  -0.169  26.375
  200   1H6     A  18          1H6         A  18   0.368   1.822  24.692
  201   2H6     A  18          2H6         A  18  -1.149   1.159  24.123
  202    H2     A  18           H2         A  18  -0.821  -3.314  24.482
  203   2H2*    A  18          2H2*        A  18   5.273  -3.699  24.912
  204   1H5*    T  19          1H5*        T  19   3.632  -6.459  25.810
  205   2H5*    T  19          2H5*        T  19   4.350  -7.869  25.004
  206    H4*    T  19           H4*        T  19   2.106  -7.494  24.118
  207    H3*    T  19           H3*        T  19   4.393  -7.379  22.400
  208   1H2*    T  19          1H2*        T  19   3.965  -5.431  21.279
  209   2H2*    T  19          2H2*        T  19   2.559  -6.285  20.570
  210    H1*    T  19           H1*        T  19   1.079  -5.451  22.126
  211    H3     T  19           H3         T  19   0.456  -1.117  21.368
  212   1H5M    T  19          1H5M        T  19   5.650  -1.472  21.995
  213   2H5M    T  19          2H5M        T  19   5.127  -1.179  23.671
  214   3H5M    T  19          3H5M        T  19   4.792   0.031  22.412
  215    H6     T  19           H6         T  19   4.291  -3.641  22.763
  216   1H5*    T  20          1H5*        T  20   0.204  -7.390  20.961
  217   2H5*    T  20          2H5*        T  20  -0.100  -8.893  20.070
  218    H4*    T  20           H4*        T  20  -1.542  -7.289  19.069
  219    H3*    T  20           H3*        T  20   0.609  -8.236  17.493
  220   1H2*    T  20          1H2*        T  20   1.589  -6.242  16.875
  221   2H2*    T  20          2H2*        T  20   0.121  -6.041  15.850
  222    H1*    T  20           H1*        T  20  -0.949  -4.705  17.438
  223    H3     T  20           H3         T  20   1.010  -0.734  18.032
  224   1H5M    T  20          1H5M        T  20   4.631  -4.059  19.783
  225   2H5M    T  20          2H5M        T  20   5.138  -2.572  18.950
  226   3H5M    T  20          3H5M        T  20   5.021  -4.103  18.049
  227    H6     T  20           H6         T  20   2.613  -5.244  18.354
  228   1H5*    C  21          1H5*        C  21  -3.358  -6.117  15.714
  229   2H5*    C  21          2H5*        C  21  -3.727  -6.993  14.211
  230    H4*    C  21           H4*        C  21  -4.286  -4.635  13.951
  231    H3*    C  21           H3*        C  21  -2.339  -5.965  12.276
  232    H2*    C  21           H2*        C  21  -0.783  -4.292  12.081
  233    H1*    C  21           H1*        C  21  -2.641  -2.259  13.269
  234   1H4     C  21          1H4         C  21   3.503  -1.373  15.680
  235   2H4     C  21          2H4         C  21   2.819   0.218  15.416
  236    H5     C  21           H5         C  21   2.335  -3.418  15.162
  237    H6     C  21           H6         C  21   0.258  -4.378  14.286
  238   2H2*    C  21          2H2*        C  21  -2.075  -3.321  11.312
  239   1H5*    G  22          1H5*        G  22  -4.978  -2.264  10.760
  240   2H5*    G  22          2H5*        G  22  -5.598  -2.830   9.191
  241    H4*    G  22           H4*        G  22  -5.200  -0.436   9.096
  242    H3*    G  22           H3*        G  22  -4.017  -2.249   7.292
  243    H2*    G  22           H2*        G  22  -1.778  -1.813   7.618
  244    H1*    G  22           H1*        G  22  -2.336   0.961   8.630
  245    H8     G  22           H8         G  22  -0.638  -2.440   9.445
  246    H1     G  22           H1         G  22   2.379   2.701  11.772
  247   1H2     G  22          1H2         G  22   1.198   4.529  11.350
  248   2H2     G  22          2H2         G  22  -0.332   4.482  10.503
  249   2H2*    G  22          2H2*        G  22  -2.142  -0.313   6.704
  250   1H5*    C  23          1H5*        C  23  -3.929   2.037   6.987
  251   2H5*    C  23          2H5*        C  23  -4.448   2.857   5.505
  252    H4*    C  23           H4*        C  23  -2.717   4.183   6.547
  253    H3*    C  23           H3*        C  23  -2.160   2.930   3.975
  254    H2*    C  23           H2*        C  23   0.008   2.344   4.358
  255    H1*    C  23           H1*        C  23   0.129   4.012   6.878
  256   1H4     C  23          1H4         C  23   4.448  -0.311   8.535
  257   2H4     C  23          2H4         C  23   3.546  -1.603   7.766
  258    H5     C  23           H5         C  23   1.474  -1.239   6.575
  259    H6     C  23           H6         C  23  -0.167   0.430   5.880
  260   2H2*    C  23          2H2*        C  23   0.365   4.098   4.510
  261   1H5*    G  24          1H5*        G  24   0.125   6.966   5.085
  262   2H5*    G  24          2H5*        G  24   0.092   7.920   3.585
  263    H4*    G  24           H4*        G  24   2.303   8.035   4.694
  264    H3*    G  24           H3*        G  24   1.896   7.065   1.991
  265    H2*    G  24           H2*        G  24   3.377   5.352   1.947
  266    H1*    G  24           H1*        G  24   4.642   6.155   4.555
  267    H8     G  24           H8         G  24   2.367   3.367   3.027
  268    H1     G  24           H1         G  24   7.303   1.359   6.575
  269   1H2     G  24          1H2         G  24   7.963   4.752   7.000
  270   2H2     G  24          2H2         G  24   8.430   3.105   7.352
  271    H3T    G  24           H3T        G  24   3.914   8.656   3.214
  272   2H2*    G  24          2H2*        G  24   4.677   6.552   2.258
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   3.451  -8.206   1.862
    2   2H5*    C   1          2H5*        C   1   4.751  -8.196   3.073
    3    H4*    C   1           H4*        C   1   4.547  -5.962   1.945
    4    H3*    C   1           H3*        C   1   4.618  -6.499   4.717
    5    H2*    C   1           H2*        C   1   2.789  -5.289   5.400
    6    H1*    C   1           H1*        C   1   2.799  -3.662   2.832
    7   1H4     C   1          1H4         C   1  -3.227  -2.743   4.574
    8   2H4     C   1          2H4         C   1  -3.348  -4.358   5.241
    9    H5     C   1           H5         C   1  -1.516  -5.929   5.240
   10    H6     C   1           H6         C   1   0.830  -6.280   4.619
   11    H5T    C   1           H5T        C   1   2.018  -7.721   3.646
   12   2H2*    C   1          2H2*        C   1   3.793  -3.838   5.044
   13   1H5*    G   2          1H5*        G   2   5.281  -1.944   3.385
   14   2H5*    G   2          2H5*        G   2   6.981  -1.790   3.867
   15    H4*    G   2           H4*        G   2   5.988   0.359   4.225
   16    H3*    G   2           H3*        G   2   6.995  -1.029   6.426
   17    H2*    G   2           H2*        G   2   5.042  -1.394   7.628
   18    H1*    G   2           H1*        G   2   3.843   1.146   6.499
   19    H8     G   2           H8         G   2   3.224  -2.623   7.210
   20    H1     G   2           H1         G   2  -1.989   1.069   7.286
   21   1H2     G   2          1H2         G   2   0.193   3.621   6.354
   22   2H2     G   2          2H2         G   2  -1.449   3.155   6.742
   23   2H2*    G   2          2H2*        G   2   5.312   0.304   8.129
   24   1H5*    C   3          1H5*        C   3   5.689   3.483   6.469
   25   2H5*    C   3          2H5*        C   3   6.751   4.463   7.505
   26    H4*    C   3           H4*        C   3   4.418   5.287   7.566
   27    H3*    C   3           H3*        C   3   5.874   4.542   9.924
   28    H2*    C   3           H2*        C   3   4.238   3.369  11.023
   29    H1*    C   3           H1*        C   3   2.095   4.424   9.169
   30   1H4     C   3          1H4         C   3   0.858  -1.896  10.822
   31   2H4     C   3          2H4         C   3  -0.684  -1.080  10.673
   32    H5     C   3           H5         C   3   2.982  -0.782  10.483
   33    H6     C   3           H6         C   3   4.059   1.351   9.930
   34   2H2*    C   3          2H2*        C   3   3.340   4.919  11.105
   35   1H5*    G   4          1H5*        G   4   2.078   7.248   9.956
   36   2H5*    G   4          2H5*        G   4   2.569   8.739  10.785
   37    H4*    G   4           H4*        G   4   0.250   8.322  11.321
   38    H3*    G   4           H3*        G   4   2.122   8.580  13.345
   39    H2*    G   4           H2*        G   4   2.193   6.317  14.020
   40    H1*    G   4           H1*        G   4  -0.787   6.232  13.464
   41    H8     G   4           H8         G   4   2.510   4.199  13.256
   42    H1     G   4           H1         G   4  -2.869   0.787  13.817
   43   1H2     G   4          1H2         G   4  -4.624   2.143  13.783
   44   2H2     G   4          2H2         G   4  -4.454   3.878  13.625
   45   2H2*    G   4          2H2*        G   4   0.844   6.923  15.050
   46   1H5*    A   5          1H5*        A   5  -2.501   7.968  13.810
   47   2H5*    A   5          2H5*        A   5  -3.083   9.295  14.834
   48    H4*    A   5           H4*        A   5  -4.636   7.424  14.986
   49    H3*    A   5           H3*        A   5  -3.446   8.513  17.270
   50    H2*    A   5           H2*        A   5  -2.163   6.679  17.945
   51    H1*    A   5           H1*        A   5  -4.278   4.860  16.749
   52    H8     A   5           H8         A   5  -0.408   5.447  16.556
   53   1H6     A   5          1H6         A   5   0.872   0.782  16.868
   54   2H6     A   5          2H6         A   5  -0.035  -0.702  17.058
   55    H2     A   5           H2         A   5  -4.378   0.443  17.200
   56   2H2*    A   5          2H2*        A   5  -3.736   6.172  18.646
   57   1H5*    A   6          1H5*        A   6  -7.183   5.346  17.563
   58   2H5*    A   6          2H5*        A   6  -8.247   6.198  18.704
   59    H4*    A   6           H4*        A   6  -8.512   3.760  18.892
   60    H3*    A   6           H3*        A   6  -8.003   5.436  21.086
   61    H2*    A   6           H2*        A   6  -5.954   4.623  21.810
   62    H1*    A   6           H1*        A   6  -6.546   1.895  20.684
   63    H8     A   6           H8         A   6  -3.906   4.785  20.643
   64   1H6     A   6          1H6         A   6   0.210   0.195  20.232
   65   2H6     A   6          2H6         A   6  -0.005   1.931  20.301
   66    H2     A   6           H2         A   6  -3.903  -1.625  20.331
   67   2H2*    A   6          2H2*        A   6  -6.955   3.297  22.479
   68   1H5*    T   7          1H5*        T   7  -8.956   1.032  21.224
   69   2H5*    T   7          2H5*        T   7 -10.293   0.645  22.325
   70    H4*    T   7           H4*        T   7  -8.802  -1.279  22.183
   71    H3*    T   7           H3*        T   7  -9.211   0.043  24.696
   72   1H2*    T   7          1H2*        T   7  -7.043   0.233  25.397
   73   2H2*    T   7          2H2*        T   7  -7.044  -1.555  25.500
   74    H1*    T   7           H1*        T   7  -6.113  -1.822  23.402
   75    H3     T   7           H3         T   7  -1.851  -0.588  23.600
   76   1H5M    T   7          1H5M        T   7  -2.878   3.910  23.999
   77   2H5M    T   7          2H5M        T   7  -4.003   3.677  25.366
   78   3H5M    T   7          3H5M        T   7  -4.639   3.963  23.718
   79    H6     T   7           H6         T   7  -5.958   1.847  24.060
   80   1H5*    T   8          1H5*        T   8  -7.152  -3.847  24.253
   81   2H5*    T   8          2H5*        T   8  -8.117  -5.113  25.036
   82    H4*    T   8           H4*        T   8  -5.853  -5.833  25.229
   83    H3*    T   8           H3*        T   8  -7.197  -5.112  27.621
   84   1H2*    T   8          1H2*        T   8  -5.705  -3.594  28.500
   85   2H2*    T   8          2H2*        T   8  -4.660  -5.035  28.773
   86    H1*    T   8           H1*        T   8  -3.451  -4.682  26.816
   87    H3     T   8           H3         T   8  -0.933  -0.996  26.953
   88   1H5M    T   8          1H5M        T   8  -4.502   1.771  27.890
   89   2H5M    T   8          2H5M        T   8  -5.614   0.631  28.686
   90   3H5M    T   8          3H5M        T   8  -5.762   0.949  26.943
   91    H6     T   8           H6         T   8  -5.638  -1.752  27.502
   92   1H5*    C   9          1H5*        C   9  -3.352  -7.791  27.333
   93   2H5*    C   9          2H5*        C   9  -3.393  -9.094  28.541
   94    H4*    C   9           H4*        C   9  -1.096  -8.252  28.230
   95    H3*    C   9           H3*        C   9  -2.438  -8.234  30.790
   96    H2*    C   9           H2*        C   9  -1.705  -6.187  31.548
   97    H1*    C   9           H1*        C   9   0.370  -6.094  29.347
   98   1H4     C   9          1H4         C   9  -0.301   0.188  30.103
   99   2H4     C   9          2H4         C   9  -2.033   0.034  30.320
  100    H5     C   9           H5         C   9  -3.177  -2.087  30.341
  101    H6     C   9           H6         C   9  -2.907  -4.515  30.150
  102   2H2*    C   9          2H2*        C   9  -0.064  -6.896  31.511
  103   1H5*    G  10          1H5*        G  10   2.235  -8.006  30.213
  104   2H5*    G  10          2H5*        G  10   2.744  -9.492  31.044
  105    H4*    G  10           H4*        G  10   4.512  -7.940  31.351
  106    H3*    G  10           H3*        G  10   3.080  -8.826  33.604
  107    H2*    G  10           H2*        G  10   2.271  -6.811  34.428
  108    H1*    G  10           H1*        G  10   4.546  -5.306  33.170
  109    H8     G  10           H8         G  10   0.664  -5.509  33.429
  110    H1     G  10           H1         G  10   3.096   0.387  32.999
  111   1H2     G  10          1H2         G  10   6.151  -1.244  32.639
  112   2H2     G  10          2H2         G  10   5.297   0.281  32.729
  113   2H2*    G  10          2H2*        G  10   3.966  -6.614  34.982
  114   1H5*    C  11          1H5*        C  11   6.775  -6.434  33.677
  115   2H5*    C  11          2H5*        C  11   8.089  -6.925  34.761
  116    H4*    C  11           H4*        C  11   8.043  -4.495  34.566
  117    H3*    C  11           H3*        C  11   7.548  -5.769  37.141
  118    H2*    C  11           H2*        C  11   5.911  -4.369  37.890
  119    H1*    C  11           H1*        C  11   6.466  -2.387  35.673
  120   1H4     C  11          1H4         C  11   0.381  -0.922  36.528
  121   2H4     C  11          2H4         C  11  -0.059  -2.598  36.787
  122    H5     C  11           H5         C  11   1.555  -4.401  36.796
  123    H6     C  11           H6         C  11   3.923  -4.968  36.559
  124   2H2*    C  11          2H2*        C  11   7.139  -3.057  37.846
  125   1H5*    G  12          1H5*        G  12   9.620  -1.402  37.012
  126   2H5*    G  12          2H5*        G  12  10.819  -1.472  38.320
  127    H4*    G  12           H4*        G  12   9.614   0.699  38.263
  128    H3*    G  12           H3*        G  12   9.703  -1.062  40.573
  129    H2*    G  12           H2*        G  12   7.589  -0.778  41.353
  130    H1*    G  12           H1*        G  12   7.054   1.526  39.489
  131    H8     G  12           H8         G  12   5.998  -2.193  40.068
  132    H1     G  12           H1         G  12   1.238   2.019  39.309
  133   1H2     G  12          1H2         G  12   3.791   4.367  39.020
  134   2H2     G  12          2H2         G  12   2.072   4.056  39.034
  135    H3T    G  12           H3T        G  12   9.871   1.755  40.218
  136   2H2*    G  12          2H2*        G  12   7.976   0.964  41.563
  137   1H5*    C  13          1H5*        C  13  -4.164   8.192  42.346
  138   2H5*    C  13          2H5*        C  13  -4.203   9.259  40.926
  139    H4*    C  13           H4*        C  13  -1.858   8.934  41.713
  140    H3*    C  13           H3*        C  13  -2.863   8.462  39.092
  141    H2*    C  13           H2*        C  13  -1.919   6.426  38.658
  142    H1*    C  13           H1*        C  13   0.049   6.660  40.933
  143   1H4     C  13          1H4         C  13  -0.366   0.349  40.435
  144   2H4     C  13          2H4         C  13  -2.084   0.427  40.112
  145    H5     C  13           H5         C  13  -3.305   2.499  39.955
  146    H6     C  13           H6         C  13  -3.145   4.940  40.085
  147    H5T    C  13           H5T        C  13  -4.310   7.379  39.633
  148   2H2*    C  13          2H2*        C  13  -0.338   7.278  38.628
  149   1H5*    G  14          1H5*        G  14   1.722   8.592  39.272
  150   2H5*    G  14          2H5*        G  14   2.038  10.160  38.509
  151    H4*    G  14           H4*        G  14   3.847   8.750  37.858
  152    H3*    G  14           H3*        G  14   2.105   9.652  35.846
  153    H2*    G  14           H2*        G  14   1.263   7.633  35.083
  154    H1*    G  14           H1*        G  14   3.800   6.224  35.935
  155    H8     G  14           H8         G  14  -0.098   6.097  36.114
  156    H1     G  14           H1         G  14   2.889   0.436  36.146
  157   1H2     G  14          1H2         G  14   5.808   2.351  36.166
  158   2H2     G  14          2H2         G  14   5.095   0.751  36.158
  159   2H2*    G  14          2H2*        G  14   2.846   7.538  34.248
  160   1H5*    C  15          1H5*        C  15   6.325   7.748  35.243
  161   2H5*    C  15          2H5*        C  15   7.210   8.507  33.900
  162    H4*    C  15           H4*        C  15   7.811   6.121  34.131
  163    H3*    C  15           H3*        C  15   6.807   7.242  31.694
  164    H2*    C  15           H2*        C  15   5.303   5.607  31.115
  165    H1*    C  15           H1*        C  15   6.488   3.677  33.120
  166   1H4     C  15          1H4         C  15   0.596   1.325  33.030
  167   2H4     C  15          2H4         C  15  -0.108   2.915  32.811
  168    H5     C  15           H5         C  15   1.218   4.931  32.613
  169    H6     C  15           H6         C  15   3.496   5.838  32.604
  170   2H2*    C  15          2H2*        C  15   6.725   4.530  30.936
  171   1H5*    G  16          1H5*        G  16   9.108   3.168  31.918
  172   2H5*    G  16          2H5*        G  16  10.467   3.356  30.793
  173    H4*    G  16           H4*        G  16   9.767   1.045  30.731
  174    H3*    G  16           H3*        G  16   9.826   2.546  28.403
  175    H2*    G  16           H2*        G  16   7.498   2.766  28.086
  176    H1*    G  16           H1*        G  16   7.246  -0.061  29.154
  177    H8     G  16           H8         G  16   5.592   3.444  29.093
  178    H1     G  16           H1         G  16   1.655  -1.504  30.051
  179   1H2     G  16          1H2         G  16   4.574  -3.398  30.063
  180   2H2     G  16          2H2         G  16   2.829  -3.381  30.194
  181   2H2*    G  16          2H2*        G  16   7.796   1.211  27.223
  182   1H5*    A  17          1H5*        A  17   8.741  -1.980  28.811
  183   2H5*    A  17          2H5*        A  17   9.795  -2.874  27.699
  184    H4*    A  17           H4*        A  17   7.778  -4.174  28.125
  185    H3*    A  17           H3*        A  17   8.554  -3.497  25.521
  186    H2*    A  17           H2*        A  17   6.761  -2.117  24.934
  187    H1*    A  17           H1*        A  17   4.993  -3.771  26.765
  188    H8     A  17           H8         A  17   5.978  -0.021  26.205
  189   1H6     A  17          1H6         A  17   1.480   1.769  26.404
  190   2H6     A  17          2H6         A  17  -0.097   1.036  26.592
  191    H2     A  17           H2         A  17   0.570  -3.391  26.987
  192   2H2*    A  17          2H2*        A  17   5.986  -3.704  24.614
  193   1H5*    A  18          1H5*        A  18   5.048  -6.811  26.380
  194   2H5*    A  18          2H5*        A  18   5.577  -8.138  25.322
  195    H4*    A  18           H4*        A  18   3.134  -8.120  25.574
  196    H3*    A  18           H3*        A  18   4.429  -8.177  23.086
  197    H2*    A  18           H2*        A  18   3.716  -6.177  22.157
  198    H1*    A  18           H1*        A  18   1.183  -6.231  23.779
  199    H8     A  18           H8         A  18   4.301  -4.003  22.961
  200   1H6     A  18          1H6         A  18   1.946   0.229  23.014
  201   2H6     A  18          2H6         A  18   0.277   0.672  23.300
  202    H2     A  18           H2         A  18  -1.943  -3.140  24.182
  203   2H2*    A  18          2H2*        A  18   2.198  -7.088  21.888
  204   1H5*    T  19          1H5*        T  19  -0.017  -8.539  23.805
  205   2H5*    T  19          2H5*        T  19  -0.714  -9.976  23.029
  206    H4*    T  19           H4*        T  19  -2.431  -8.256  23.201
  207    H3*    T  19           H3*        T  19  -1.611  -9.215  20.625
  208   1H2*    T  19          1H2*        T  19  -1.333  -7.228  19.530
  209   2H2*    T  19          2H2*        T  19  -3.102  -7.018  19.707
  210    H1*    T  19           H1*        T  19  -2.907  -5.736  21.617
  211    H3     T  19           H3         T  19  -1.282  -1.763  20.464
  212   1H5M    T  19          1H5M        T  19   2.399  -5.081  18.757
  213   2H5M    T  19          2H5M        T  19   2.965  -4.790  20.419
  214   3H5M    T  19          3H5M        T  19   2.845  -3.436  19.271
  215    H6     T  19           H6         T  19   0.604  -6.173  20.417
  216   1H5*    T  20          1H5*        T  20  -5.147  -6.639  21.289
  217   2H5*    T  20          2H5*        T  20  -6.621  -7.536  20.876
  218    H4*    T  20           H4*        T  20  -7.111  -5.249  20.407
  219    H3*    T  20           H3*        T  20  -6.955  -7.032  18.202
  220   1H2*    T  20          1H2*        T  20  -5.462  -5.904  16.859
  221   2H2*    T  20          2H2*        T  20  -6.811  -4.734  16.630
  222    H1*    T  20           H1*        T  20  -6.011  -3.299  18.278
  223    H3     T  20           H3         T  20  -2.171  -1.322  17.141
  224   1H5M    T  20          1H5M        T  20   0.031  -5.316  16.452
  225   2H5M    T  20          2H5M        T  20  -1.332  -6.377  16.021
  226   3H5M    T  20          3H5M        T  20  -0.756  -6.305  17.702
  227    H6     T  20           H6         T  20  -3.474  -5.920  17.545
  228   1H5*    C  21          1H5*        C  21  -9.133  -2.877  18.217
  229   2H5*    C  21          2H5*        C  21 -10.621  -2.935  17.248
  230    H4*    C  21           H4*        C  21  -9.508  -0.745  17.024
  231    H3*    C  21           H3*        C  21 -10.072  -2.453  14.764
  232    H2*    C  21           H2*        C  21  -8.111  -2.133  13.593
  233    H1*    C  21           H1*        C  21  -7.438   0.236  15.355
  234   1H4     C  21          1H4         C  21  -1.825  -3.027  13.907
  235   2H4     C  21          2H4         C  21  -1.469  -1.314  13.801
  236    H5     C  21           H5         C  21  -4.020  -3.891  14.409
  237    H6     C  21           H6         C  21  -6.343  -3.297  14.911
  238   2H2*    C  21          2H2*        C  21  -8.627  -0.428  13.440
  239   1H5*    G  22          1H5*        G  22  -9.236   2.202  14.456
  240   2H5*    G  22          2H5*        G  22 -10.786   2.756  13.787
  241    H4*    G  22           H4*        G  22  -9.143   4.233  12.922
  242    H3*    G  22           H3*        G  22 -10.544   2.568  11.136
  243    H2*    G  22           H2*        G  22  -8.799   1.400  10.153
  244    H1*    G  22           H1*        G  22  -6.866   3.618  10.744
  245    H8     G  22           H8         G  22  -7.535  -0.191  11.214
  246    H1     G  22           H1         G  22  -1.405   1.447  10.418
  247   1H2     G  22          1H2         G  22  -1.227   3.659  10.292
  248   2H2     G  22          2H2         G  22  -2.618   4.713  10.419
  249   2H2*    G  22          2H2*        G  22  -8.531   2.953   9.295
  250   1H5*    C  23          1H5*        C  23  -7.993   5.988   9.977
  251   2H5*    C  23          2H5*        C  23  -8.589   7.135   8.766
  252    H4*    C  23           H4*        C  23  -6.171   6.901   8.564
  253    H3*    C  23           H3*        C  23  -7.899   6.065   6.362
  254    H2*    C  23           H2*        C  23  -6.726   4.225   5.709
  255    H1*    C  23           H1*        C  23  -4.380   4.959   7.468
  256   1H4     C  23          1H4         C  23  -3.516  -1.301   7.557
  257   2H4     C  23          2H4         C  23  -5.240  -1.611   7.601
  258    H5     C  23           H5         C  23  -6.899   0.146   7.535
  259    H6     C  23           H6         C  23  -7.249   2.569   7.432
  260   2H2*    C  23          2H2*        C  23  -5.357   5.328   5.338
  261   1H5*    G  24          1H5*        G  24  -3.496   7.675   5.436
  262   2H5*    G  24          2H5*        G  24  -3.657   8.641   3.954
  263    H4*    G  24           H4*        G  24  -1.627   7.225   3.910
  264    H3*    G  24           H3*        G  24  -3.745   7.072   1.921
  265    H2*    G  24           H2*        G  24  -3.751   4.836   1.536
  266    H1*    G  24           H1*        G  24  -1.227   4.399   3.119
  267    H8     G  24           H8         G  24  -5.068   3.721   3.373
  268    H1     G  24           H1         G  24  -1.238  -1.307   4.389
  269   1H2     G  24          1H2         G  24   1.345   0.933   3.729
  270   2H2     G  24          2H2         G  24   0.881  -0.705   4.128
  271    H3T    G  24           H3T        G  24  -1.839   8.290   1.725
  272   2H2*    G  24          2H2*        G  24  -2.041   4.987   1.007
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  13.807   0.554   3.591
    2   2H5*    C   1          2H5*        C   1  14.418   1.236   5.113
    3    H4*    C   1           H4*        C   1  12.970   2.883   3.931
    4    H3*    C   1           H3*        C   1  12.657   1.970   6.611
    5    H2*    C   1           H2*        C   1  10.412   1.543   6.635
    6    H1*    C   1           H1*        C   1   9.901   3.112   4.116
    7   1H4     C   1          1H4         C   1   5.046  -0.969   3.934
    8   2H4     C   1          2H4         C   1   6.043  -2.275   4.538
    9    H5     C   1           H5         C   1   8.365  -2.001   5.125
   10    H6     C   1           H6         C   1  10.231  -0.419   5.256
   11    H5T    C   1           H5T        C   1  12.735   0.117   6.181
   12   2H2*    C   1          2H2*        C   1  10.180   3.319   6.497
   13   1H5*    G   2          1H5*        G   2  10.173   5.789   5.660
   14   2H5*    G   2          2H5*        G   2  11.075   6.982   6.617
   15    H4*    G   2           H4*        G   2   8.771   7.619   6.742
   16    H3*    G   2           H3*        G   2  10.090   6.871   9.103
   17    H2*    G   2           H2*        G   2   8.851   5.001   9.700
   18    H1*    G   2           H1*        G   2   6.425   6.150   8.308
   19    H8     G   2           H8         G   2   8.637   2.948   8.650
   20    H1     G   2           H1         G   2   2.415   1.946   7.537
   21   1H2     G   2          1H2         G   2   2.221   5.426   7.377
   22   2H2     G   2          2H2         G   2   1.374   3.896   7.275
   23   2H2*    G   2          2H2*        G   2   7.687   6.238  10.276
   24   1H5*    C   3          1H5*        C   3   5.986   8.986   8.719
   25   2H5*    C   3          2H5*        C   3   5.809  10.280   9.925
   26    H4*    C   3           H4*        C   3   3.614   9.334   9.350
   27    H3*    C   3           H3*        C   3   4.601   9.366  12.037
   28    H2*    C   3           H2*        C   3   4.059   7.233  12.674
   29    H1*    C   3           H1*        C   3   2.226   6.876  10.302
   30   1H4     C   3          1H4         C   3   5.415   1.202  11.661
   31   2H4     C   3          2H4         C   3   3.773   0.785  11.211
   32    H5     C   3           H5         C   3   6.211   3.482  11.788
   33    H6     C   3           H6         C   3   5.598   5.837  11.489
   34   2H2*    C   3          2H2*        C   3   2.350   7.737  12.481
   35   1H5*    G   4          1H5*        G   4  -0.015   8.788  10.953
   36   2H5*    G   4          2H5*        G   4  -0.740  10.132  11.857
   37    H4*    G   4           H4*        G   4  -2.318   8.299  11.824
   38    H3*    G   4           H3*        G   4  -1.474   9.420  14.211
   39    H2*    G   4           H2*        G   4  -0.140   7.651  14.987
   40    H1*    G   4           H1*        G   4  -2.142   5.726  13.762
   41    H8     G   4           H8         G   4   1.607   6.449  14.390
   42    H1     G   4           H1         G   4   0.097   0.273  13.689
   43   1H2     G   4          1H2         G   4  -2.058   0.070  13.216
   44   2H2     G   4          2H2         G   4  -3.115   1.457  13.069
   45   2H2*    G   4          2H2*        G   4  -1.741   7.133  15.636
   46   1H5*    A   5          1H5*        A   5  -4.737   6.153  13.707
   47   2H5*    A   5          2H5*        A   5  -6.192   6.851  14.442
   48    H4*    A   5           H4*        A   5  -6.484   4.477  14.394
   49    H3*    A   5           H3*        A   5  -6.511   5.805  16.853
   50    H2*    A   5           H2*        A   5  -4.606   4.937  17.840
   51    H1*    A   5           H1*        A   5  -4.929   2.340  16.336
   52    H8     A   5           H8         A   5  -2.373   5.258  16.837
   53   1H6     A   5          1H6         A   5   1.551   2.522  17.434
   54   2H6     A   5          2H6         A   5   1.834   0.795  17.455
   55    H2     A   5           H2         A   5  -2.153  -1.167  16.742
   56   2H2*    A   5          2H2*        A   5  -5.702   3.554  18.180
   57   1H5*    A   6          1H5*        A   6  -7.499   1.203  16.404
   58   2H5*    A   6          2H5*        A   6  -9.072   1.013  17.208
   59    H4*    A   6           H4*        A   6  -7.795  -1.061  17.349
   60    H3*    A   6           H3*        A   6  -8.874   0.230  19.596
   61    H2*    A   6           H2*        A   6  -6.945   0.689  20.799
   62    H1*    A   6           H1*        A   6  -5.532  -1.666  19.559
   63    H8     A   6           H8         A   6  -5.231   2.185  20.197
   64   1H6     A   6          1H6         A   6   0.805   1.058  20.801
   65   2H6     A   6          2H6         A   6  -0.446   2.282  20.830
   66    H2     A   6           H2         A   6  -1.237  -2.840  19.848
   67   2H2*    A   6          2H2*        A   6  -7.048  -1.053  21.214
   68   1H5*    T   7          1H5*        T   7  -7.052  -3.861  19.521
   69   2H5*    T   7          2H5*        T   7  -8.041  -5.132  20.277
   70    H4*    T   7           H4*        T   7  -5.683  -5.693  20.527
   71    H3*    T   7           H3*        T   7  -7.353  -5.259  22.833
   72   1H2*    T   7          1H2*        T   7  -5.931  -3.989  24.089
   73   2H2*    T   7          2H2*        T   7  -4.869  -5.430  24.162
   74    H1*    T   7           H1*        T   7  -3.578  -4.737  22.364
   75    H3     T   7           H3         T   7  -1.084  -1.285  23.668
   76   1H5M    T   7          1H5M        T   7  -4.701   1.554  24.114
   77   2H5M    T   7          2H5M        T   7  -5.981   0.393  24.542
   78   3H5M    T   7          3H5M        T   7  -5.762   0.891  22.847
   79    H6     T   7           H6         T   7  -5.819  -1.834  23.075
   80   1H5*    T   8          1H5*        T   8  -3.391  -7.138  22.884
   81   2H5*    T   8          2H5*        T   8  -3.513  -8.837  23.380
   82    H4*    T   8           H4*        T   8  -1.370  -8.144  24.129
   83    H3*    T   8           H3*        T   8  -3.302  -8.697  26.113
   84   1H2*    T   8          1H2*        T   8  -3.249  -6.716  27.312
   85   2H2*    T   8          2H2*        T   8  -1.642  -7.307  27.867
   86    H1*    T   8           H1*        T   8  -0.493  -6.064  26.262
   87    H3     T   8           H3         T   8  -0.730  -1.636  26.878
   88   1H5M    T   8          1H5M        T   8  -5.692  -2.931  25.915
   89   2H5M    T   8          2H5M        T   8  -5.343  -1.628  27.073
   90   3H5M    T   8          3H5M        T   8  -5.653  -3.280  27.658
   91    H6     T   8           H6         T   8  -4.058  -5.071  26.451
   92   1H5*    C   9          1H5*        C   9   1.249  -8.363  26.962
   93   2H5*    C   9          2H5*        C   9   1.784  -9.599  28.119
   94    H4*    C   9           H4*        C   9   2.957  -7.476  28.518
   95    H3*    C   9           H3*        C   9   1.353  -8.778  30.535
   96    H2*    C   9           H2*        C   9   0.327  -6.922  31.439
   97    H1*    C   9           H1*        C   9   2.274  -5.102  30.023
   98   1H4     C   9          1H4         C   9  -2.579  -1.005  30.283
   99   2H4     C   9          2H4         C   9  -3.757  -2.287  30.073
  100    H5     C   9           H5         C   9  -3.149  -4.617  29.867
  101    H6     C   9           H6         C   9  -1.285  -6.207  29.829
  102   2H2*    C   9          2H2*        C   9   1.968  -6.403  31.926
  103   1H5*    G  10          1H5*        G  10   4.718  -5.588  31.468
  104   2H5*    G  10          2H5*        G  10   5.790  -6.498  32.556
  105    H4*    G  10           H4*        G  10   5.872  -4.212  33.249
  106    H3*    G  10           H3*        G  10   4.879  -6.179  35.012
  107    H2*    G  10           H2*        G  10   2.763  -5.340  35.433
  108    H1*    G  10           H1*        G  10   3.688  -2.542  34.797
  109    H8     G  10           H8         G  10   1.019  -5.242  33.913
  110    H1     G  10           H1         G  10  -1.059   0.804  33.884
  111   1H2     G  10          1H2         G  10   2.249   1.612  34.609
  112   2H2     G  10          2H2         G  10   0.620   2.185  34.327
  113   2H2*    G  10          2H2*        G  10   3.666  -4.173  36.457
  114   1H5*    C  11          1H5*        C  11   5.848  -2.025  36.137
  115   2H5*    C  11          2H5*        C  11   6.871  -1.776  37.562
  116    H4*    C  11           H4*        C  11   5.293   0.062  37.369
  117    H3*    C  11           H3*        C  11   5.126  -1.731  39.670
  118    H2*    C  11           H2*        C  11   2.857  -1.803  39.869
  119    H1*    C  11           H1*        C  11   2.499   0.448  37.892
  120   1H4     C  11          1H4         C  11  -2.990  -2.475  36.768
  121   2H4     C  11          2H4         C  11  -2.256  -4.059  36.906
  122    H5     C  11           H5         C  11   0.080  -4.391  37.447
  123    H6     C  11           H6         C  11   2.193  -3.271  37.964
  124   2H2*    C  11          2H2*        C  11   2.906  -0.029  40.160
  125   1H5*    G  12          1H5*        G  12   3.789   2.816  40.043
  126   2H5*    G  12          2H5*        G  12   4.422   3.363  41.611
  127    H4*    G  12           H4*        G  12   2.162   4.261  41.202
  128    H3*    G  12           H3*        G  12   2.819   2.590  43.476
  129    H2*    G  12           H2*        G  12   0.944   1.318  43.592
  130    H1*    G  12           H1*        G  12  -0.538   3.043  41.625
  131    H8     G  12           H8         G  12   1.042  -0.515  41.950
  132    H1     G  12           H1         G  12  -4.937  -0.278  39.673
  133   1H2     G  12          1H2         G  12  -4.603   3.167  40.050
  134   2H2     G  12          2H2         G  12  -5.620   1.829  39.569
  135    H3T    G  12           H3T        G  12   1.646   4.293  44.513
  136   2H2*    G  12          2H2*        G  12   0.023   2.835  43.874
  137   1H5*    C  13          1H5*        C  13 -13.539   0.197  41.032
  138   2H5*    C  13          2H5*        C  13 -13.996   1.180  39.625
  139    H4*    C  13           H4*        C  13 -12.295   2.361  41.011
  140    H3*    C  13           H3*        C  13 -12.111   1.783  38.225
  141    H2*    C  13           H2*        C  13  -9.973   0.986  38.116
  142    H1*    C  13           H1*        C  13  -9.233   2.068  40.826
  143   1H4     C  13          1H4         C  13  -5.180  -2.796  40.376
  144   2H4     C  13          2H4         C  13  -6.389  -3.810  39.617
  145    H5     C  13           H5         C  13  -8.617  -3.049  39.103
  146    H6     C  13           H6         C  13 -10.170  -1.157  39.214
  147    H5T    C  13           H5T        C  13 -12.511  -0.064  38.401
  148   2H2*    C  13          2H2*        C  13  -9.438   2.657  38.503
  149   1H5*    G  14          1H5*        G  14  -9.033   4.961  39.625
  150   2H5*    G  14          2H5*        G  14  -9.715   6.410  38.859
  151    H4*    G  14           H4*        G  14  -7.336   6.658  38.777
  152    H3*    G  14           H3*        G  14  -8.752   6.471  36.359
  153    H2*    G  14           H2*        G  14  -7.832   4.530  35.484
  154    H1*    G  14           H1*        G  14  -5.262   5.048  36.990
  155    H8     G  14           H8         G  14  -7.981   2.344  36.244
  156    H1     G  14           H1         G  14  -2.025   0.163  37.088
  157   1H2     G  14          1H2         G  14  -1.247   3.504  37.730
  158   2H2     G  14          2H2         G  14  -0.670   1.855  37.601
  159   2H2*    G  14          2H2*        G  14  -6.473   5.625  35.074
  160   1H5*    C  15          1H5*        C  15  -4.369   7.817  36.957
  161   2H5*    C  15          2H5*        C  15  -3.967   9.219  35.940
  162    H4*    C  15           H4*        C  15  -1.967   7.849  36.343
  163    H3*    C  15           H3*        C  15  -2.916   8.416  33.701
  164    H2*    C  15           H2*        C  15  -2.726   6.333  32.767
  165    H1*    C  15           H1*        C  15  -1.001   5.352  35.043
  166   1H4     C  15          1H4         C  15  -3.532  -0.213  33.329
  167   2H4     C  15          2H4         C  15  -5.076   0.529  32.959
  168    H5     C  15           H5         C  15  -5.478   2.906  33.151
  169    H6     C  15           H6         C  15  -4.485   5.063  33.762
  170   2H2*    C  15          2H2*        C  15  -0.959   6.516  33.005
  171   1H5*    G  16          1H5*        G  16   1.535   6.939  34.618
  172   2H5*    G  16          2H5*        G  16   2.475   8.263  33.902
  173    H4*    G  16           H4*        G  16   3.732   6.212  33.651
  174    H3*    G  16           H3*        G  16   3.103   7.786  31.461
  175    H2*    G  16           H2*        G  16   1.508   6.387  30.457
  176    H1*    G  16           H1*        G  16   3.153   4.004  31.367
  177    H8     G  16           H8         G  16  -0.419   5.420  30.909
  178    H1     G  16           H1         G  16   0.039  -0.956  30.700
  179   1H2     G  16          1H2         G  16   3.399  -0.421  31.428
  180   2H2     G  16          2H2         G  16   2.128  -1.578  31.096
  181   2H2*    G  16          2H2*        G  16   3.009   5.713  29.720
  182   1H5*    A  17          1H5*        A  17   5.782   4.001  31.449
  183   2H5*    A  17          2H5*        A  17   7.341   4.542  30.799
  184    H4*    A  17           H4*        A  17   7.231   2.169  30.511
  185    H3*    A  17           H3*        A  17   7.506   3.807  28.262
  186    H2*    A  17           H2*        A  17   5.495   3.416  27.187
  187    H1*    A  17           H1*        A  17   5.363   0.616  28.309
  188    H8     A  17           H8         A  17   3.335   3.959  28.258
  189   1H6     A  17          1H6         A  17  -0.979   2.032  27.305
  190   2H6     A  17          2H6         A  17  -1.545   0.398  27.039
  191    H2     A  17           H2         A  17   2.048  -2.285  27.427
  192   2H2*    A  17          2H2*        A  17   6.349   1.931  26.643
  193   1H5*    A  18          1H5*        A  18   7.709  -0.908  28.042
  194   2H5*    A  18          2H5*        A  18   9.238  -1.243  27.200
  195    H4*    A  18           H4*        A  18   7.633  -3.033  26.785
  196    H3*    A  18           H3*        A  18   8.936  -1.638  24.727
  197    H2*    A  18           H2*        A  18   7.123  -0.697  23.627
  198    H1*    A  18           H1*        A  18   5.324  -2.935  24.543
  199    H8     A  18           H8         A  18   5.675   0.963  24.458
  200   1H6     A  18          1H6         A  18   0.978   1.942  23.911
  201   2H6     A  18          2H6         A  18  -0.459   0.950  23.791
  202    H2     A  18           H2         A  18   0.898  -3.327  24.149
  203   2H2*    A  18          2H2*        A  18   6.938  -2.356  22.970
  204   1H5*    T  19          1H5*        T  19   6.455  -5.339  24.251
  205   2H5*    T  19          2H5*        T  19   7.228  -6.637  23.312
  206    H4*    T  19           H4*        T  19   4.812  -6.760  23.016
  207    H3*    T  19           H3*        T  19   6.555  -6.290  20.773
  208   1H2*    T  19          1H2*        T  19   5.380  -4.634  19.727
  209   2H2*    T  19          2H2*        T  19   4.093  -5.853  19.463
  210    H1*    T  19           H1*        T  19   2.915  -5.215  21.357
  211    H3     T  19           H3         T  19   1.051  -1.244  20.576
  212   1H5M    T  19          1H5M        T  19   6.171  -0.305  19.901
  213   2H5M    T  19          2H5M        T  19   6.016  -0.024  21.653
  214   3H5M    T  19          3H5M        T  19   5.099   0.981  20.506
  215    H6     T  19           H6         T  19   5.619  -2.658  21.043
  216   1H5*    T  20          1H5*        T  20   2.336  -7.460  20.503
  217   2H5*    T  20          2H5*        T  20   2.177  -9.067  19.767
  218    H4*    T  20           H4*        T  20   0.190  -7.922  19.151
  219    H3*    T  20           H3*        T  20   2.025  -8.506  17.085
  220   1H2*    T  20          1H2*        T  20   2.323  -6.393  16.182
  221   2H2*    T  20          2H2*        T  20   0.646  -6.620  15.567
  222    H1*    T  20           H1*        T  20  -0.299  -5.445  17.347
  223    H3     T  20           H3         T  20   0.683  -1.077  17.361
  224   1H5M    T  20          1H5M        T  20   5.233  -1.812  17.107
  225   2H5M    T  20          2H5M        T  20   5.272  -3.400  16.302
  226   3H5M    T  20          3H5M        T  20   5.346  -3.298  18.076
  227    H6     T  20           H6         T  20   3.385  -5.044  17.256
  228   1H5*    C  21          1H5*        C  21  -2.389  -7.285  16.341
  229   2H5*    C  21          2H5*        C  21  -3.111  -8.238  15.029
  230    H4*    C  21           H4*        C  21  -3.903  -5.915  14.940
  231    H3*    C  21           H3*        C  21  -2.502  -7.167  12.747
  232    H2*    C  21           H2*        C  21  -1.172  -5.396  12.107
  233    H1*    C  21           H1*        C  21  -2.813  -3.501  13.786
  234   1H4     C  21          1H4         C  21   3.600  -1.748  14.103
  235   2H4     C  21          2H4         C  21   2.655  -0.271  14.086
  236    H5     C  21           H5         C  21   2.611  -3.950  13.978
  237    H6     C  21           H6         C  21   0.511  -5.196  13.796
  238   2H2*    C  21          2H2*        C  21  -2.698  -4.549  11.714
  239   1H5*    G  22          1H5*        G  22  -5.277  -3.368  12.302
  240   2H5*    G  22          2H5*        G  22  -6.468  -3.922  11.104
  241    H4*    G  22           H4*        G  22  -6.158  -1.581  10.743
  242    H3*    G  22           H3*        G  22  -5.466  -3.415   8.713
  243    H2*    G  22           H2*        G  22  -3.234  -2.881   8.405
  244    H1*    G  22           H1*        G  22  -3.705  -0.090   9.442
  245    H8     G  22           H8         G  22  -1.525  -3.286   9.922
  246    H1     G  22           H1         G  22   1.504   2.276  10.795
  247   1H2     G  22          1H2         G  22   0.081   3.961  10.558
  248   2H2     G  22          2H2         G  22  -1.612   3.707  10.194
  249   2H2*    G  22          2H2*        G  22  -3.917  -1.449   7.563
  250   1H5*    C  23          1H5*        C  23  -5.721   0.960   8.205
  251   2H5*    C  23          2H5*        C  23  -6.673   1.570   6.841
  252    H4*    C  23           H4*        C  23  -4.830   3.090   7.277
  253    H3*    C  23           H3*        C  23  -4.909   1.632   4.747
  254    H2*    C  23           H2*        C  23  -2.677   1.231   4.525
  255    H1*    C  23           H1*        C  23  -1.998   3.095   6.796
  256   1H4     C  23          1H4         C  23   2.930  -0.806   7.466
  257   2H4     C  23          2H4         C  23   1.952  -2.216   7.111
  258    H5     C  23           H5         C  23  -0.395  -2.085   6.540
  259    H6     C  23           H6         C  23  -2.293  -0.577   6.200
  260   2H2*    C  23          2H2*        C  23  -2.442   3.013   4.486
  261   1H5*    G  24          1H5*        G  24  -2.874   5.911   5.002
  262   2H5*    G  24          2H5*        G  24  -3.393   6.771   3.536
  263    H4*    G  24           H4*        G  24  -1.027   7.234   4.043
  264    H3*    G  24           H3*        G  24  -1.904   6.012   1.564
  265    H2*    G  24           H2*        G  24  -0.244   4.501   1.255
  266    H1*    G  24           H1*        G  24   1.456   5.677   3.438
  267    H8     G  24           H8         G  24  -0.665   2.496   2.633
  268    H1     G  24           H1         G  24   5.238   1.459   4.885
  269   1H2     G  24          1H2         G  24   5.467   4.931   4.980
  270   2H2     G  24          2H2         G  24   6.249   3.395   5.268
  271    H3T    G  24           H3T        G  24  -1.444   8.219   1.886
  272   2H2*    G  24          2H2*        G  24   0.904   5.881   1.185