*HEADER    RNA                                     11-JUL-06   2IXY
*TITLE     SOLUTION STRUCTURE OF THE APICAL STEM-LOOP OF THE HUMAN
*TITLE    2 HEPATITIS B VIRUS ENCAPSIDATION SIGNAL
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 5'-R(*GP*GP*CP*CP*UP*CP*CP*AP*AP*GP
*COMPND   3  *CP*UP*GP*UP*GP*CP*CP*UP*UP*GP*GP*GP*UP*GP*GP*CP*C)-3';
*COMPND   4 SYNONYM: APICAL STEM-LOOP FROM HBV EPSILON;
*COMPND   5 CHAIN: A
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: HEPATITIS B VIRUS
*KEYWDS    HBV, RDC, RNA, PSEUDO TRILOOP
*EXPDTA    NMR, 23 STRUCTURES
*AUTHOR    S.FLODELL,M.PETERSEN,F.GIRARD,J.ZDUNEK,K.KIDD-LJUNGGREN,
*AUTHOR   2 J.SCHLEUCHER,S.S.WIJMENGA
*REVDAT   1   06-SEP-06 2IXY    0




!
!Watson-Crick restraints
!
assign (segid LO3 and resid 27 and name O2) (segid LO3 and resid 1 and name H21)  1.92 0.18 0.18
assign (segid LO3 and resid 27 and name N3) (segid LO3 and resid 1 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 27 and name H42) (segid LO3 and resid 1 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 26 and name O2) (segid LO3 and resid 2 and name H21)  1.92 0.18 0.18
assign (segid LO3 and resid 26 and name N3) (segid LO3 and resid 2 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 26 and name H42) (segid LO3 and resid 2 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 3 and name O2) (segid LO3 and resid 25 and name H22)  1.92 0.18 0.18
assign (segid LO3 and resid 3 and name N3) (segid LO3 and resid 25 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 3 and name H41) (segid LO3 and resid 25 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 4 and name O2) (segid LO3 and resid 24 and name H22)  1.92 0.18 0.18
assign (segid LO3 and resid 4 and name N3) (segid LO3 and resid 24 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 4 and name H41) (segid LO3 and resid 24 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 5 and name O2) (segid LO3 and resid 22 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 5 and name H3) (segid LO3 and resid 22 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 6 and name O2) (segid LO3 and resid 21 and name H22)  1.92 0.18 0.18
assign (segid LO3 and resid 6 and name N3) (segid LO3 and resid 21 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 6 and name H41) (segid LO3 and resid 21 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 7 and name O2) (segid LO3 and resid 20 and name H21)  1.92 0.18 0.18
assign (segid LO3 and resid 7 and name N3) (segid LO3 and resid 20 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 7 and name H42) (segid LO3 and resid 20 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 19 and name H3) (segid LO3 and resid 8 and name N1)  1.92 0.18 0.18
assign (segid LO3 and resid 19 and name O4) (segid LO3 and resid 8 and name H62)  1.92 0.18 0.18
!
assign (segid LO3 and resid 18 and name H3) (segid LO3 and resid 9 and name N1)  1.92 0.18 0.18
assign (segid LO3 and resid 18 and name O4) (segid LO3 and resid 9 and name H62)  1.92 0.18 0.18
!
assign (segid LO3 and resid 17 and name O2) (segid LO3 and resid 10 and name H21)  1.92 0.18 0.18
assign (segid LO3 and resid 17 and name N3) (segid LO3 and resid 10 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 17 and name H42) (segid LO3 and resid 10 and name O6)  1.92 0.18 0.18
!
assign (segid LO3 and resid 11 and name O2) (segid LO3 and resid 15 and name H22)  1.92 0.18 0.18
assign (segid LO3 and resid 11 and name N3) (segid LO3 and resid 15 and name H1)  1.92 0.18 0.18
assign (segid LO3 and resid 11 and name H41) (segid LO3 and resid 15 and name O6)  1.92 0.18 0.18
!
! Imino-imino restraints
!
assign  (segid LO3 and resid   1 and name H1  ) (segid LO3 and resid   2 and name H1  )  3.50 1.05 1.05
assign  (segid LO3 and resid   2 and name H1  ) (segid LO3 and resid  25 and name H1  )  3.50 1.05 1.05
assign  (segid LO3 and resid  25 and name H1  ) (segid LO3 and resid  24 and name H1  )  3.50 1.05 1.05
assign  (segid LO3 and resid  24 and name H1  ) (segid LO3 and resid   5 and name H3  )  3.50 1.05 1.05
assign  (segid LO3 and resid   5 and name H3  ) (segid LO3 and resid  21 and name H1  )  4.50 1.35 1.35
assign  (segid LO3 and resid  21 and name H1  ) (segid LO3 and resid  20 and name H1  )  3.50 1.05 1.05
assign  (segid LO3 and resid  20 and name H1  ) (segid LO3 and resid  19 and name H3  )  3.50 1.05 1.05
assign  (segid LO3 and resid  19 and name H3  ) (segid LO3 and resid  18 and name H3  )  3.50 1.05 1.05
assign  (segid LO3 and resid  18 and name H3  ) (segid LO3 and resid  10 and name H1  )  3.50 1.05 1.05
assign  (segid LO3 and resid  10 and name H1  ) (segid LO3 and resid  15 and name H1  )  3.50 1.05 1.05
!
! NMR restraints from ISPA calculations
!
assign (segid LO3 and resid 1 and name H2'1) (segid LO3 and resid 1 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 1 and name H3') (segid LO3 and resid 1 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 1 and name H8) (segid LO3 and resid 1 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 1 and name H8) (segid LO3 and resid 1 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 1 and name H8) (segid LO3 and resid 1 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 1 and name H8) (segid LO3 and resid 1 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 1 and name H8) (segid LO3 and resid 1 and name H5'*)  3.9 2.1 2.1
assign (segid LO3 and resid 2 and name H1') (segid LO3 and resid 1 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 2 and name H8) (segid LO3 and resid 1 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 2 and name H8) (segid LO3 and resid 1 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 2 and name H8) (segid LO3 and resid 1 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 2 and name H8) (segid LO3 and resid 1 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 2 and name H8) (segid LO3 and resid 2 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 3 and name H1') (segid LO3 and resid 2 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 3 and name H5) (segid LO3 and resid 2 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 3 and name H6) (segid LO3 and resid 2 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 3 and name H5) (segid LO3 and resid 3 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 3 and name H6) (segid LO3 and resid 3 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 3 and name H6) (segid LO3 and resid 3 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 4 and name H5) (segid LO3 and resid 3 and name H5)  3.15 1.35 1.35
assign (segid LO3 and resid 4 and name H6) (segid LO3 and resid 3 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 4 and name H6) (segid LO3 and resid 3 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 4 and name H6) (segid LO3 and resid 3 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 4 and name H6) (segid LO3 and resid 4 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 4 and name H6) (segid LO3 and resid 4 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 5 and name H1') (segid LO3 and resid 4 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 5 and name H5) (segid LO3 and resid 4 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 5 and name H5) (segid LO3 and resid 4 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 5 and name H5) (segid LO3 and resid 4 and name H5)  3.15 1.35 1.35
assign (segid LO3 and resid 5 and name H5) (segid LO3 and resid 4 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 5 and name H6) (segid LO3 and resid 4 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 5 and name H6) (segid LO3 and resid 4 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 5 and name H6) (segid LO3 and resid 4 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 5 and name H6) (segid LO3 and resid 4 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 5 and name H5) (segid LO3 and resid 5 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 5 and name H6) (segid LO3 and resid 5 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 5 and name H6) (segid LO3 and resid 5 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 6 and name H5) (segid LO3 and resid 5 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 6 and name H5) (segid LO3 and resid 5 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 6 and name H6) (segid LO3 and resid 5 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 6 and name H6) (segid LO3 and resid 5 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 6 and name H6) (segid LO3 and resid 5 and name H6)  3.15 1.35 1.35
assign (segid LO3 and resid 6 and name H5) (segid LO3 and resid 6 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 6 and name H6) (segid LO3 and resid 6 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 7 and name H1') (segid LO3 and resid 6 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 7 and name H5) (segid LO3 and resid 6 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 7 and name H5) (segid LO3 and resid 6 and name H5)  3.15 1.35 1.35
assign (segid LO3 and resid 7 and name H6) (segid LO3 and resid 6 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 7 and name H6) (segid LO3 and resid 6 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 7 and name H5) (segid LO3 and resid 7 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 7 and name H6) (segid LO3 and resid 7 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 7 and name H6) (segid LO3 and resid 7 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 8 and name H1') (segid LO3 and resid 7 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 8 and name H8) (segid LO3 and resid 7 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 8 and name H8) (segid LO3 and resid 7 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 8 and name H8) (segid LO3 and resid 7 and name H6)  3.15 1.35 1.35
assign (segid LO3 and resid 8 and name H2) (segid LO3 and resid 8 and name H1')  5.0 2.0 2.0
assign (segid LO3 and resid 8 and name H2'1) (segid LO3 and resid 8 and name H2)  4.5 1.5 1.5
assign (segid LO3 and resid 8 and name H8) (segid LO3 and resid 8 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 8 and name H8) (segid LO3 and resid 8 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 8 and name H8) (segid LO3 and resid 8 and name H3')  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H1') (segid LO3 and resid 8 and name H2)  3.15 1.35 1.35
assign (segid LO3 and resid 9 and name H2) (segid LO3 and resid 8 and name H2)  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 8 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 8 and name H2)  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 8 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 8 and name H3')  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 8 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H2) (segid LO3 and resid 9 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 9 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 9 and name H8) (segid LO3 and resid 9 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 10 and name H1') (segid LO3 and resid 9 and name H2)  3.15 1.35 1.35
assign (segid LO3 and resid 10 and name H8) (segid LO3 and resid 9 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 10 and name H8) (segid LO3 and resid 9 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 10 and name H8) (segid LO3 and resid 9 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 10 and name H8) (segid LO3 and resid 10 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 10 and name H8) (segid LO3 and resid 10 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 10 and name H8) (segid LO3 and resid 10 and name H3')  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H1') (segid LO3 and resid 10 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H5) (segid LO3 and resid 10 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H5) (segid LO3 and resid 10 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H6) (segid LO3 and resid 10 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H6) (segid LO3 and resid 10 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 11 and name H6) (segid LO3 and resid 10 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 11 and name H6) (segid LO3 and resid 10 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H5) (segid LO3 and resid 11 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 11 and name H6) (segid LO3 and resid 11 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 11 and name H6) (segid LO3 and resid 11 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 12 and name H5) (segid LO3 and resid 11 and name H5)  4.5 1.5 1.5
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 11 and name H1')  5.0 2.0 2.0
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 11 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 11 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 12 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 12 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 12 and name H3')  2.4 0.6 0.6
assign (segid LO3 and resid 12 and name H6) (segid LO3 and resid 12 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 11 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 11 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 12 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 12 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 12 and name H3')  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 12 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 12 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H2'1) (segid LO3 and resid 13 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 13 and name H3') (segid LO3 and resid 13 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H4') (segid LO3 and resid 13 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 13 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 13 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 13 and name H3')  4.5 1.5 1.5
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 13 and name H4')  5.0 2.0 2.0
assign (segid LO3 and resid 13 and name H8) (segid LO3 and resid 13 and name H5'*)  4.5 1.5 1.5
assign (segid LO3 and resid 14 and name H4') (segid LO3 and resid 13 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 14 and name H5) (segid LO3 and resid 13 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 13 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 13 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 13 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 13 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 13 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 14 and name H2'1) (segid LO3 and resid 14 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H3') (segid LO3 and resid 14 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H4') (segid LO3 and resid 14 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H4') (segid LO3 and resid 14 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H4') (segid LO3 and resid 14 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H5) (segid LO3 and resid 14 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H5'*) (segid LO3 and resid 14 and name H4')  2.4 0.6 0.6
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 14 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 14 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 14 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 14 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 14 and name H6) (segid LO3 and resid 14 and name H5'*)  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H1') (segid LO3 and resid 14 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 15 and name H2'1) (segid LO3 and resid 14 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 15 and name H3') (segid LO3 and resid 14 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 15 and name H4') (segid LO3 and resid 14 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H5'*) (segid LO3 and resid 14 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 14 and name H4')  4.5 1.5 1.5
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 14 and name H5'*)  4.5 1.5 1.5
assign (segid LO3 and resid 15 and name H2'1) (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H3') (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H3') (segid LO3 and resid 15 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 15 and name H4') (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H4') (segid LO3 and resid 15 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H4') (segid LO3 and resid 15 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H5'*) (segid LO3 and resid 15 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H5'*) (segid LO3 and resid 15 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 15 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 15 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 15 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 15 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 15 and name H8) (segid LO3 and resid 15 and name H5'*)  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H1') (segid LO3 and resid 15 and name H1')  5.0 2.0 2.0
assign (segid LO3 and resid 16 and name H4') (segid LO3 and resid 15 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H4') (segid LO3 and resid 15 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H5) (segid LO3 and resid 15 and name H1')  5.0 2.0 2.0
assign (segid LO3 and resid 16 and name H5'*) (segid LO3 and resid 15 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H5'*) (segid LO3 and resid 15 and name H3')  3.9 2.1 2.1
assign (segid LO3 and resid 16 and name H6) (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H2'1) (segid LO3 and resid 16 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H3') (segid LO3 and resid 16 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 16 and name H4') (segid LO3 and resid 16 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H5) (segid LO3 and resid 16 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 16 and name H6) (segid LO3 and resid 16 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H6) (segid LO3 and resid 16 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H6) (segid LO3 and resid 16 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H6) (segid LO3 and resid 16 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 16 and name H6) (segid LO3 and resid 16 and name H5'*)  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H1') (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H1') (segid LO3 and resid 15 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 17 and name H5) (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H5) (segid LO3 and resid 15 and name H8)  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 15 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 15 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 15 and name H3')  4.5 1.5 1.5
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 15 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 17 and name H5) (segid LO3 and resid 16 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 17 and name H5) (segid LO3 and resid 16 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 16 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H5) (segid LO3 and resid 17 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 17 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 17 and name H6) (segid LO3 and resid 17 and name H5'*)  3.15 1.35 1.35
assign (segid LO3 and resid 18 and name H1') (segid LO3 and resid 8 and name H2)  5.0 2.0 2.0
assign (segid LO3 and resid 18 and name H1') (segid LO3 and resid 17 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 18 and name H5) (segid LO3 and resid 17 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 18 and name H5) (segid LO3 and resid 17 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 18 and name H6) (segid LO3 and resid 17 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 18 and name H6) (segid LO3 and resid 17 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 18 and name H6) (segid LO3 and resid 17 and name H3')  2.4 0.6 0.6
assign (segid LO3 and resid 18 and name H6) (segid LO3 and resid 17 and name H5'*)  3.15 1.35 1.35
assign (segid LO3 and resid 18 and name H6) (segid LO3 and resid 17 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 18 and name H5) (segid LO3 and resid 18 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 18 and name H6) (segid LO3 and resid 18 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 19 and name H1') (segid LO3 and resid 8 and name H2)  5.0 2.0 2.0
assign (segid LO3 and resid 19 and name H1') (segid LO3 and resid 9 and name H2)  3.15 1.35 1.35
assign (segid LO3 and resid 19 and name H1') (segid LO3 and resid 18 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 19 and name H5) (segid LO3 and resid 18 and name H5)  3.15 1.35 1.35
assign (segid LO3 and resid 19 and name H6) (segid LO3 and resid 18 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 19 and name H6) (segid LO3 and resid 18 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 19 and name H6) (segid LO3 and resid 18 and name H3')  2.4 0.6 0.6
assign (segid LO3 and resid 19 and name H6) (segid LO3 and resid 18 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 19 and name H6) (segid LO3 and resid 19 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 19 and name H6) (segid LO3 and resid 19 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 20 and name H1') (segid LO3 and resid 8 and name H2)  3.15 1.35 1.35
assign (segid LO3 and resid 20 and name H2'1) (segid LO3 and resid 8 and name H2)  4.5 1.5 1.5
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 8 and name H2)  4.5 1.5 1.5
assign (segid LO3 and resid 20 and name H1') (segid LO3 and resid 19 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 19 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 19 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 19 and name H5)  4.5 1.5 1.5
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 19 and name H6)  3.15 1.35 1.35
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 20 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 20 and name H8) (segid LO3 and resid 20 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 21 and name H8) (segid LO3 and resid 8 and name H2)  4.5 1.5 1.5
assign (segid LO3 and resid 21 and name H8) (segid LO3 and resid 20 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 21 and name H8) (segid LO3 and resid 20 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 21 and name H8) (segid LO3 and resid 20 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 21 and name H8) (segid LO3 and resid 21 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 21 and name H8) (segid LO3 and resid 21 and name H2'1)  4.5 1.5 1.5
assign (segid LO3 and resid 22 and name H8) (segid LO3 and resid 21 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 22 and name H8) (segid LO3 and resid 21 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 22 and name H8) (segid LO3 and resid 21 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 22 and name H8) (segid LO3 and resid 22 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 22 and name H8) (segid LO3 and resid 22 and name H2'1)  2.4 0.6 0.6
assign (segid LO3 and resid 22 and name H8) (segid LO3 and resid 22 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 22 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 22 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 22 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 23 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 23 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 23 and name H4')  3.15 1.35 1.35
assign (segid LO3 and resid 23 and name H6) (segid LO3 and resid 23 and name H5'*)  3.15 1.35 1.35
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 22 and name H8)  5.0 2.0 2.0
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 23 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 23 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 23 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 23 and name H6)  4.5 1.5 1.5
assign (segid LO3 and resid 24 and name H2'1) (segid LO3 and resid 24 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 24 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 24 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 24 and name H8) (segid LO3 and resid 24 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 25 and name H8) (segid LO3 and resid 24 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 25 and name H8) (segid LO3 and resid 24 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 25 and name H8) (segid LO3 and resid 24 and name H3')  3.15 1.35 1.35
assign (segid LO3 and resid 25 and name H8) (segid LO3 and resid 24 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 25 and name H8) (segid LO3 and resid 25 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 25 and name H8) (segid LO3 and resid 25 and name H2'1)  3.15 1.35 1.35
assign (segid LO3 and resid 26 and name H1') (segid LO3 and resid 25 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 26 and name H5) (segid LO3 and resid 25 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 26 and name H5) (segid LO3 and resid 25 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 26 and name H6) (segid LO3 and resid 25 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 26 and name H6) (segid LO3 and resid 25 and name H8)  4.5 1.5 1.5
assign (segid LO3 and resid 26 and name H5) (segid LO3 and resid 26 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 26 and name H6) (segid LO3 and resid 26 and name H1')  3.15 1.35 1.35
assign (segid LO3 and resid 27 and name H1') (segid LO3 and resid 26 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 27 and name H5) (segid LO3 and resid 26 and name H5)  3.15 1.35 1.35
assign (segid LO3 and resid 27 and name H5) (segid LO3 and resid 27 and name H1')  4.5 1.5 1.5
assign (segid LO3 and resid 27 and name H6) (segid LO3 and resid 27 and name H1')  3.15 1.35 1.35
restraint dihedral 
! 
! BACKBONE DIHEDRAL RESTRAINTS
! 
! RESIDUE 1
assign
  (resid 1 and name C4')
  (resid 1 and name C3')
  (resid 1 and name O3')
  (resid 2 and name P)
  500 -150 60 2

assign
  (resid 1 and name C3')
  (resid 1 and name O3')
  (resid 2 and name P)
  (resid 2 and name O5')
  500 -75 60 2

! RESIDUE 2
assign
  (resid 1 and name O3')
  (resid 2 and name P)
  (resid 2 and name O5')
  (resid 2 and name C5')
  500 -60 60 2

assign
  (resid 2 and name P)
  (resid 2 and name O5')
  (resid 2 and name C5')
  (resid 2 and name C4')
  500 180 60 2

assign
  (resid 2 and name O5')
  (resid 2 and name C5')
  (resid 2 and name C4')
  (resid 2 and name C3')
  500 60 60 2

assign
  (resid 2 and name C4')
  (resid 2 and name C3')
  (resid 2 and name O3')
  (resid 3 and name P)
  500 -150 60 2

assign
  (resid 2 and name C3')
  (resid 2 and name O3')
  (resid 3 and name P)
  (resid 3 and name O5')
  500 -75 60 2

! RESIDUE 3
assign
  (resid 2 and name O3')
  (resid 3 and name P)
  (resid 3 and name O5')
  (resid 3 and name C5')
  500 -60 60 2

assign
  (resid 3 and name P)
  (resid 3 and name O5')
  (resid 3 and name C5')
  (resid 3 and name C4')
  500 180 60 2

assign
  (resid 3 and name O5')
  (resid 3 and name C5')
  (resid 3 and name C4')
  (resid 3 and name C3')
  500 60 60 2

assign
  (resid 3 and name C4')
  (resid 3 and name C3')
  (resid 3 and name O3')
  (resid 4 and name P)
  500 -150 60 2

assign
  (resid 3 and name C3')
  (resid 3 and name O3')
  (resid 4 and name P)
  (resid 4 and name O5')
  500 -75 60 2

! RESIDUE 4
assign
  (resid 3 and name O3')
  (resid 4 and name P)
  (resid 4 and name O5')
  (resid 4 and name C5')
  500 -60 60 2

assign
  (resid 4 and name P)
  (resid 4 and name O5')
  (resid 4 and name C5')
  (resid 4 and name C4')
  500 180 60 2

assign
  (resid 4 and name O5')
  (resid 4 and name C5')
  (resid 4 and name C4')
  (resid 4 and name C3')
  500 60 60 2

assign
  (resid 4 and name C4')
  (resid 4 and name C3')
  (resid 4 and name O3')
  (resid 5 and name P)
  500 -150 60 2

assign
  (resid 4 and name C3')
  (resid 4 and name O3')
  (resid 5 and name P)
  (resid 5 and name O5')
  500 -75 60 2

! RESIDUE 5
assign
  (resid 4 and name O3')
  (resid 5 and name P)
  (resid 5 and name O5')
  (resid 5 and name C5')
  500 -60 60 2

assign
  (resid 5 and name P)
  (resid 5 and name O5')
  (resid 5 and name C5')
  (resid 5 and name C4')
  500 180 60 2

assign
  (resid 5 and name O5')
  (resid 5 and name C5')
  (resid 5 and name C4')
  (resid 5 and name C3')
  500 60 60 2

assign
  (resid 5 and name C4')
  (resid 5 and name C3')
  (resid 5 and name O3')
  (resid 6 and name P)
  500 -150 60 2

assign
  (resid 5 and name C3')
  (resid 5 and name O3')
  (resid 6 and name P)
  (resid 6 and name O5')
  500 -75 60 2

! RESIDUE 6
assign
  (resid 5 and name O3')
  (resid 6 and name P)
  (resid 6 and name O5')
  (resid 6 and name C5')
  500 -60 60 2

assign
  (resid 6 and name P)
  (resid 6 and name O5')
  (resid 6 and name C5')
  (resid 6 and name C4')
  500 180 60 2

assign
  (resid 6 and name O5')
  (resid 6 and name C5')
  (resid 6 and name C4')
  (resid 6 and name C3')
  500 60 60 2

assign
  (resid 6 and name C4')
  (resid 6 and name C3')
  (resid 6 and name O3')
  (resid 7 and name P)
  500 -150 60 2

assign
  (resid 6 and name C3')
  (resid 6 and name O3')
  (resid 7 and name P)
  (resid 7 and name O5')
  500 -75 60 2

! RESIDUE 7
assign
  (resid 6 and name O3')
  (resid 7 and name P)
  (resid 7 and name O5')
  (resid 7 and name C5')
  500 -60 60 2

assign
  (resid 7 and name P)
  (resid 7 and name O5')
  (resid 7 and name C5')
  (resid 7 and name C4')
  500 180 60 2

assign
  (resid 7 and name O5')
  (resid 7 and name C5')
  (resid 7 and name C4')
  (resid 7 and name C3')
  500 60 60 2

assign
  (resid 7 and name C4')
  (resid 7 and name C3')
  (resid 7 and name O3')
  (resid 8 and name P)
  500 -150 60 2

assign
  (resid 7 and name C3')
  (resid 7 and name O3')
  (resid 8 and name P)
  (resid 8 and name O5')
  500 -75 60 2

! RESIDUE 8
assign
  (resid 7 and name O3')
  (resid 8 and name P)
  (resid 8 and name O5')
  (resid 8 and name C5')
  500 -60 60 2

assign
  (resid 8 and name P)
  (resid 8 and name O5')
  (resid 8 and name C5')
  (resid 8 and name C4')
  500 180 60 2

assign
  (resid 8 and name O5')
  (resid 8 and name C5')
  (resid 8 and name C4')
  (resid 8 and name C3')
  500 60 60 2

assign
  (resid 8 and name C4')
  (resid 8 and name C3')
  (resid 8 and name O3')
  (resid 9 and name P)
  500 -150 60 2

assign
  (resid 8 and name C3')
  (resid 8 and name O3')
  (resid 9 and name P)
  (resid 9 and name O5')
  500 -75 60 2

! RESIDUE 9
assign
  (resid 8 and name O3')
  (resid 9 and name P)
  (resid 9 and name O5')
  (resid 9 and name C5')
  500 -60 60 2

assign
  (resid 9 and name P)
  (resid 9 and name O5')
  (resid 9 and name C5')
  (resid 9 and name C4')
  500 180 60 2

assign
  (resid 9 and name O5')
  (resid 9 and name C5')
  (resid 9 and name C4')
  (resid 9 and name C3')
  500 60 60 2

assign
  (resid 9 and name C4')
  (resid 9 and name C3')
  (resid 9 and name O3')
  (resid 10 and name P)
  500 -150 60 2

assign
  (resid 9 and name C3')
  (resid 9 and name O3')
  (resid 10 and name P)
  (resid 10 and name O5')
  500 -75 60 2

! RESIDUE 10
assign
  (resid 9 and name O3')
  (resid 10 and name P)
  (resid 10 and name O5')
  (resid 10 and name C5')
  500 -60 60 2

assign
  (resid 10 and name P)
  (resid 10 and name O5')
  (resid 10 and name C5')
  (resid 10 and name C4')
  500 180 60 2

assign
  (resid 10 and name O5')
  (resid 10 and name C5')
  (resid 10 and name C4')
  (resid 10 and name C3')
  500 60 60 2

assign
  (resid 10 and name C4')
  (resid 10 and name C3')
  (resid 10 and name O3')
  (resid 11 and name P)
  500 -150 60 2

assign
  (resid 10 and name C3')
  (resid 10 and name O3')
  (resid 11 and name P)
  (resid 11 and name O5')
  500 -75 60 2

! RESIDUE 11
assign
  (resid 10 and name O3')
  (resid 11 and name P)
  (resid 11 and name O5')
  (resid 11 and name C5')
  500 -60 60 2

assign
  (resid 11 and name P)
  (resid 11 and name O5')
  (resid 11 and name C5')
  (resid 11 and name C4')
  500 180 60 2

assign
  (resid 11 and name O5')
  (resid 11 and name C5')
  (resid 11 and name C4')
  (resid 11 and name C3')
  500 60 60 2

assign
  (resid 11 and name C4')
  (resid 11 and name C3')
  (resid 11 and name O3')
  (resid 12 and name P)
  500 -150 60 2

assign
  (resid 11 and name C3')
  (resid 11 and name O3')
  (resid 12 and name P)
  (resid 12 and name O5')
  500 -75 60 2

! RESIDUE 18
assign
  (resid 17 and name O3')
  (resid 18 and name P)
  (resid 18 and name O5')
  (resid 18 and name C5')
  500 -60 60 2

assign
  (resid 18 and name P)
  (resid 18 and name O5')
  (resid 18 and name C5')
  (resid 18 and name C4')
  500 180 60 2

assign
  (resid 18 and name O5')
  (resid 18 and name C5')
  (resid 18 and name C4')
  (resid 18 and name C3')
  500 60 60 2

assign
  (resid 18 and name C4')
  (resid 18 and name C3')
  (resid 18 and name O3')
  (resid 19 and name P)
  500 -150 60 2

assign
  (resid 18 and name C3')
  (resid 18 and name O3')
  (resid 19 and name P)
  (resid 19 and name O5')
  500 -75 60 2

! RESIDUE 19
assign
  (resid 18 and name O3')
  (resid 19 and name P)
  (resid 19 and name O5')
  (resid 19 and name C5')
  500 -60 60 2

assign
  (resid 19 and name P)
  (resid 19 and name O5')
  (resid 19 and name C5')
  (resid 19 and name C4')
  500 180 60 2

assign
  (resid 19 and name O5')
  (resid 19 and name C5')
  (resid 19 and name C4')
  (resid 19 and name C3')
  500 60 60 2

assign
  (resid 19 and name C4')
  (resid 19 and name C3')
  (resid 19 and name O3')
  (resid 20 and name P)
  500 -150 60 2

assign
  (resid 19 and name C3')
  (resid 19 and name O3')
  (resid 20 and name P)
  (resid 20 and name O5')
  500 -75 60 2

! RESIDUE 20
assign
  (resid 19 and name O3')
  (resid 20 and name P)
  (resid 20 and name O5')
  (resid 20 and name C5')
  500 -60 60 2

assign
  (resid 20 and name P)
  (resid 20 and name O5')
  (resid 20 and name C5')
  (resid 20 and name C4')
  500 180 60 2

assign
  (resid 20 and name O5')
  (resid 20 and name C5')
  (resid 20 and name C4')
  (resid 20 and name C3')
  500 60 60 2

assign
  (resid 20 and name C4')
  (resid 20 and name C3')
  (resid 20 and name O3')
  (resid 21 and name P)
  500 -150 60 2

assign
  (resid 20 and name C3')
  (resid 20 and name O3')
  (resid 21 and name P)
  (resid 21 and name O5')
  500 -75 60 2

! RESIDUE 21
assign
  (resid 20 and name O3')
  (resid 21 and name P)
  (resid 21 and name O5')
  (resid 21 and name C5')
  500 -60 60 2

assign
  (resid 21 and name P)
  (resid 21 and name O5')
  (resid 21 and name C5')
  (resid 21 and name C4')
  500 180 60 2

assign
  (resid 21 and name O5')
  (resid 21 and name C5')
  (resid 21 and name C4')
  (resid 21 and name C3')
  500 60 60 2

assign
  (resid 21 and name C4')
  (resid 21 and name C3')
  (resid 21 and name O3')
  (resid 22 and name P)
  500 -150 60 2

assign
  (resid 21 and name C3')
  (resid 21 and name O3')
  (resid 22 and name P)
  (resid 22 and name O5')
  500 -75 60 2

! RESIDUE 24
assign
  (resid 23 and name O3')
  (resid 24 and name P)
  (resid 24 and name O5')
  (resid 24 and name C5')
  500 -60 60 2

assign
  (resid 24 and name P)
  (resid 24 and name O5')
  (resid 24 and name C5')
  (resid 24 and name C4')
  500 180 60 2

assign
  (resid 24 and name O5')
  (resid 24 and name C5')
  (resid 24 and name C4')
  (resid 24 and name C3')
  500 60 60 2

assign
  (resid 24 and name C4')
  (resid 24 and name C3')
  (resid 24 and name O3')
  (resid 25 and name P)
  500 -150 60 2

assign
  (resid 24 and name C3')
  (resid 24 and name O3')
  (resid 25 and name P)
  (resid 25 and name O5')
  500 -75 60 2

! RESIDUE 25
assign
  (resid 24 and name O3')
  (resid 25 and name P)
  (resid 25 and name O5')
  (resid 25 and name C5')
  500 -60 60 2

assign
  (resid 25 and name P)
  (resid 25 and name O5')
  (resid 25 and name C5')
  (resid 25 and name C4')
  500 180 60 2

assign
  (resid 25 and name O5')
  (resid 25 and name C5')
  (resid 25 and name C4')
  (resid 25 and name C3')
  500 60 60 2

assign
  (resid 25 and name C4')
  (resid 25 and name C3')
  (resid 25 and name O3')
  (resid 26 and name P)
  500 -150 60 2

assign
  (resid 25 and name C3')
  (resid 25 and name O3')
  (resid 26 and name P)
  (resid 26 and name O5')
  500 -75 60 2

! RESIDUE 26
assign
  (resid 25 and name O3')
  (resid 26 and name P)
  (resid 26 and name O5')
  (resid 26 and name C5')
  500 -60 60 2

assign
  (resid 26 and name P)
  (resid 26 and name O5')
  (resid 26 and name C5')
  (resid 26 and name C4')
  500 180 60 2

assign
  (resid 26 and name O5')
  (resid 26 and name C5')
  (resid 26 and name C4')
  (resid 26 and name C3')
  500 60 60 2

assign
  (resid 26 and name C4')
  (resid 26 and name C3')
  (resid 26 and name O3')
  (resid 27 and name P)
  500 -150 60 2

assign
  (resid 26 and name C3')
  (resid 26 and name O3')
  (resid 27 and name P)
  (resid 27 and name O5')
  500 -75 60 2

! RESIDUE 27
assign
  (resid 26 and name O3')
  (resid 27 and name P)
  (resid 27 and name O5')
  (resid 27 and name C5')
  500 -60 60 2

assign
  (resid 27 and name P)
  (resid 27 and name O5')
  (resid 27 and name C5')
  (resid 27 and name C4')
  500 180 60 2

assign
  (resid 27 and name O5')
  (resid 27 and name C5')
  (resid 27 and name C4')
  (resid 27 and name C3')
  500 60 60 2

! 
! PUCKER RESTRAINTS
! 
! RESIDUE 1
assign
  (resid 1 and name C2')
  (resid 1 and name C3')
  (resid 1 and name C4')
  (resid 1 and name O4')
  500 -36 10 2

assign
  (resid 1 and name O4')
  (resid 1 and name C1')
  (resid 1 and name C2')
  (resid 1 and name C3')
  500 -22 10 2

! RESIDUE 2
assign
  (resid 2 and name C2')
  (resid 2 and name C3')
  (resid 2 and name C4')
  (resid 2 and name O4')
  500 -36 10 2

assign
  (resid 2 and name O4')
  (resid 2 and name C1')
  (resid 2 and name C2')
  (resid 2 and name C3')
  500 -22 10 2

! RESIDUE 3
assign
  (resid 3 and name C2')
  (resid 3 and name C3')
  (resid 3 and name C4')
  (resid 3 and name O4')
  500 -36 10 2

assign
  (resid 3 and name O4')
  (resid 3 and name C1')
  (resid 3 and name C2')
  (resid 3 and name C3')
  500 -22 10 2

! RESIDUE 4
assign
  (resid 4 and name C2')
  (resid 4 and name C3')
  (resid 4 and name C4')
  (resid 4 and name O4')
  500 -36 10 2

assign
  (resid 4 and name O4')
  (resid 4 and name C1')
  (resid 4 and name C2')
  (resid 4 and name C3')
  500 -22 10 2

! RESIDUE 5
assign
  (resid 5 and name C2')
  (resid 5 and name C3')
  (resid 5 and name C4')
  (resid 5 and name O4')
  500 -36 10 2

assign
  (resid 5 and name O4')
  (resid 5 and name C1')
  (resid 5 and name C2')
  (resid 5 and name C3')
  500 -22 10 2

! RESIDUE 6
assign
  (resid 6 and name C2')
  (resid 6 and name C3')
  (resid 6 and name C4')
  (resid 6 and name O4')
  500 -36 10 2

assign
  (resid 6 and name O4')
  (resid 6 and name C1')
  (resid 6 and name C2')
  (resid 6 and name C3')
  500 -22 10 2

! RESIDUE 7
assign
  (resid 7 and name C2')
  (resid 7 and name C3')
  (resid 7 and name C4')
  (resid 7 and name O4')
  500 -36 10 2

assign
  (resid 7 and name O4')
  (resid 7 and name C1')
  (resid 7 and name C2')
  (resid 7 and name C3')
  500 -22 10 2

! RESIDUE 8
assign
  (resid 8 and name C2')
  (resid 8 and name C3')
  (resid 8 and name C4')
  (resid 8 and name O4')
  500 -36 10 2

assign
  (resid 8 and name O4')
  (resid 8 and name C1')
  (resid 8 and name C2')
  (resid 8 and name C3')
  500 -22 10 2

! RESIDUE 9
assign
  (resid 9 and name C2')
  (resid 9 and name C3')
  (resid 9 and name C4')
  (resid 9 and name O4')
  500 -36 10 2

assign
  (resid 9 and name O4')
  (resid 9 and name C1')
  (resid 9 and name C2')
  (resid 9 and name C3')
  500 -22 10 2

! RESIDUE 10
assign
  (resid 10 and name C2')
  (resid 10 and name C3')
  (resid 10 and name C4')
  (resid 10 and name O4')
  500 -36 10 2

assign
  (resid 10 and name O4')
  (resid 10 and name C1')
  (resid 10 and name C2')
  (resid 10 and name C3')
  500 -22 10 2

! RESIDUE 15
assign
  (resid 15 and name C2')
  (resid 15 and name C3')
  (resid 15 and name C4')
  (resid 15 and name O4')
  500 -36 10 2

assign
  (resid 15 and name O4')
  (resid 15 and name C1')
  (resid 15 and name C2')
  (resid 15 and name C3')
  500 -22 10 2

! RESIDUE 17
assign
  (resid 17 and name C2')
  (resid 17 and name C3')
  (resid 17 and name C4')
  (resid 17 and name O4')
  500 -36 10 2

assign
  (resid 17 and name O4')
  (resid 17 and name C1')
  (resid 17 and name C2')
  (resid 17 and name C3')
  500 -22 10 2

! RESIDUE 18
assign
  (resid 18 and name C2')
  (resid 18 and name C3')
  (resid 18 and name C4')
  (resid 18 and name O4')
  500 -36 10 2

assign
  (resid 18 and name O4')
  (resid 18 and name C1')
  (resid 18 and name C2')
  (resid 18 and name C3')
  500 -22 10 2

! RESIDUE 19
assign
  (resid 19 and name C2')
  (resid 19 and name C3')
  (resid 19 and name C4')
  (resid 19 and name O4')
  500 -36 10 2

assign
  (resid 19 and name O4')
  (resid 19 and name C1')
  (resid 19 and name C2')
  (resid 19 and name C3')
  500 -22 10 2

! RESIDUE 20
assign
  (resid 20 and name C2')
  (resid 20 and name C3')
  (resid 20 and name C4')
  (resid 20 and name O4')
  500 -36 10 2

assign
  (resid 20 and name O4')
  (resid 20 and name C1')
  (resid 20 and name C2')
  (resid 20 and name C3')
  500 -22 10 2

! RESIDUE 21
assign
  (resid 21 and name C2')
  (resid 21 and name C3')
  (resid 21 and name C4')
  (resid 21 and name O4')
  500 -36 10 2

assign
  (resid 21 and name O4')
  (resid 21 and name C1')
  (resid 21 and name C2')
  (resid 21 and name C3')
  500 -22 10 2

! RESIDUE 25
assign
  (resid 25 and name C2')
  (resid 25 and name C3')
  (resid 25 and name C4')
  (resid 25 and name O4')
  500 -36 10 2

assign
  (resid 25 and name O4')
  (resid 25 and name C1')
  (resid 25 and name C2')
  (resid 25 and name C3')
  500 -22 10 2

! RESIDUE 26
assign
  (resid 26 and name C2')
  (resid 26 and name C3')
  (resid 26 and name C4')
  (resid 26 and name O4')
  500 -36 10 2

assign
  (resid 26 and name O4')
  (resid 26 and name C1')
  (resid 26 and name C2')
  (resid 26 and name C3')
  500 -22 10 2

! RESIDUE 27
assign
  (resid 27 and name C2')
  (resid 27 and name C3')
  (resid 27 and name C4')
  (resid 27 and name O4')
  500 -36 10 2

assign
  (resid 27 and name O4')
  (resid 27 and name C1')
  (resid 27 and name C2')
  (resid 27 and name C3')
  500 -22 10 2

! RESIDUE 13
assign
  (resid 13 and name C2')
  (resid 13 and name C3')
  (resid 13 and name C4')
  (resid 13 and name O4')
  500 22 10 2

assign
  (resid 13 and name O4')
  (resid 13 and name C1')
  (resid 13 and name C2')
  (resid 13 and name C3')
  500 36 10 2

! RESIDUE 14
assign
  (resid 14 and name C2')
  (resid 14 and name C3')
  (resid 14 and name C4')
  (resid 14 and name O4')
  500 22 10 2

assign
  (resid 14 and name O4')
  (resid 14 and name C1')
  (resid 14 and name C2')
  (resid 14 and name C3')
  500 36 10 2

! 
! CHI DIHEDRAL RESTRAINTS
! 
! RESIDUE 1
assign
  (resid 1 and name O4')
  (resid 1 and name C1')
  (resid 1 and name N9)
  (resid 1 and name C4)
  500 -160 20 2

! RESIDUE 2
assign
  (resid 2 and name O4')
  (resid 2 and name C1')
  (resid 2 and name N9)
  (resid 2 and name C4)
  500 -160 20 2

! RESIDUE 3
assign
  (resid 3 and name O4')
  (resid 3 and name C1')
  (resid 3 and name N1)
  (resid 3 and name C2)
  500 -160 20 2

! RESIDUE 4
assign
  (resid 4 and name O4')
  (resid 4 and name C1')
  (resid 4 and name N1)
  (resid 4 and name C2)
  500 -160 20 2

! RESIDUE 5
assign
  (resid 5 and name O4')
  (resid 5 and name C1')
  (resid 5 and name N1)
  (resid 5 and name C2)
  500 -160 20 2

! RESIDUE 6
assign
  (resid 6 and name O4')
  (resid 6 and name C1')
  (resid 6 and name N1)
  (resid 6 and name C2)
  500 -160 20 2

! RESIDUE 7
assign
  (resid 7 and name O4')
  (resid 7 and name C1')
  (resid 7 and name N1)
  (resid 7 and name C2)
  500 -160 20 2

! RESIDUE 8
assign
  (resid 8 and name O4')
  (resid 8 and name C1')
  (resid 8 and name N9)
  (resid 8 and name C4)
  500 -160 20 2

! RESIDUE 9
assign
  (resid 9 and name O4')
  (resid 9 and name C1')
  (resid 9 and name N9)
  (resid 9 and name C4)
  500 -160 20 2

! RESIDUE 10
assign
  (resid 10 and name O4')
  (resid 10 and name C1')
  (resid 10 and name N9)
  (resid 10 and name C4)
  500 -160 20 2

! RESIDUE 11
assign
  (resid 11 and name O4')
  (resid 11 and name C1')
  (resid 11 and name N1)
  (resid 11 and name C2)
  500 -160 20 2

! RESIDUE 12
assign
  (resid 12 and name O4')
  (resid 12 and name C1')
  (resid 12 and name N1)
  (resid 12 and name C2)
  500 -160 20 2

! RESIDUE 13
assign
  (resid 13 and name O4')
  (resid 13 and name C1')
  (resid 13 and name N9)
  (resid 13 and name C4)
  500 -140 40 2

! RESIDUE 14
assign
  (resid 14 and name O4')
  (resid 14 and name C1')
  (resid 14 and name N1)
  (resid 14 and name C2)
  500 -140 40 2

! RESIDUE 15
assign
  (resid 15 and name O4')
  (resid 15 and name C1')
  (resid 15 and name N9)
  (resid 15 and name C4)
  500 -160 20 2

! RESIDUE 16
assign
  (resid 16 and name O4')
  (resid 16 and name C1')
  (resid 16 and name N1)
  (resid 16 and name C2)
  500 -140 40 2

! RESIDUE 17
assign
  (resid 17 and name O4')
  (resid 17 and name C1')
  (resid 17 and name N1)
  (resid 17 and name C2)
  500 -160 20 2

! RESIDUE 18
assign
  (resid 18 and name O4')
  (resid 18 and name C1')
  (resid 18 and name N1)
  (resid 18 and name C2)
  500 -160 20 2

! RESIDUE 19
assign
  (resid 19 and name O4')
  (resid 19 and name C1')
  (resid 19 and name N1)
  (resid 19 and name C2)
  500 -160 20 2

! RESIDUE 20
assign
  (resid 20 and name O4')
  (resid 20 and name C1')
  (resid 20 and name N9)
  (resid 20 and name C4)
  500 -160 20 2

! RESIDUE 21
assign
  (resid 21 and name O4')
  (resid 21 and name C1')
  (resid 21 and name N9)
  (resid 21 and name C4)
  500 -160 20 2

! RESIDUE 22
assign
  (resid 22 and name O4')
  (resid 22 and name C1')
  (resid 22 and name N9)
  (resid 22 and name C4)
  500 -160 20 2

! RESIDUE 23
assign
  (resid 23 and name O4')
  (resid 23 and name C1')
  (resid 23 and name N1)
  (resid 23 and name C2)
  500 -140 40 2

! RESIDUE 24
assign
  (resid 24 and name O4')
  (resid 24 and name C1')
  (resid 24 and name N9)
  (resid 24 and name C4)
  500 -160 20 2

! RESIDUE 25
assign
  (resid 25 and name O4')
  (resid 25 and name C1')
  (resid 25 and name N9)
  (resid 25 and name C4)
  500 -160 20 2

! RESIDUE 26
assign
  (resid 26 and name O4')
  (resid 26 and name C1')
  (resid 26 and name N1)
  (resid 26 and name C2)
  500 -160 20 2

! RESIDUE 27
assign
  (resid 27 and name O4')
  (resid 27 and name C1')
  (resid 27 and name N1)
  (resid 27 and name C2)
  500 -160 20 2

assign
  (resid 2 and name H8)
  (resid 2 and name C8)
  (resid 2 and name N9)
  (resid 2 and name C4)
  500 180.0 0.0 2

end
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid  2 and name C1') (segid LO3 and resid  2 and name H1')   -5.500 2.0
		
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid  4 and name C1') (segid LO3 and resid  4 and name H1')  -29.430 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid  5 and name C1') (segid LO3 and resid  5 and name H1')  -21.230 2.0
		
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid  6 and name C1') (segid LO3 and resid  6 and name H1')  -20.950 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 7 and name C1') (segid LO3 and resid  7 and name H1')    -1.700 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 17 and name C1') (segid LO3 and resid 17 and name H1')  -25.390 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 18 and name C1') (segid LO3 and resid 18 and name H1')   -1.800 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 19 and name C1') (segid LO3 and resid 19 and name H1')   -7.170 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 20 and name C1') (segid LO3 and resid 20 and name H1')  -31.150 2.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 8 and name C2  ) (segid LO3 and resid  8 and name H2  )   4.130 3.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 9 and name C2  ) (segid LO3 and resid  9 and name H2  )  17.910 3.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 3 and name C5  ) (segid LO3 and resid  3 and name H5  )  13.890 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 5 and name C5  ) (segid LO3 and resid  5 and name H5  )   2.550 2.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 7 and name C5  ) (segid LO3 and resid  7 and name H5  ) -19.040 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 18 and name C5 ) (segid LO3 and resid 18 and name H5  )  17.280 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 26 and name C5 ) (segid LO3 and resid 26 and name H5  )   0.180 2.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 4 and name C6  ) (segid LO3 and resid  4 and name H6  )    5.410 2.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 5 and name C6  ) (segid LO3 and resid  5 and name H6  )   27.210 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 6 and name C6  ) (segid LO3 and resid  6 and name H6 )    11.100 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 19 and name C6 ) (segid LO3 and resid 19 and name H6  )   31.730 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 2  and name C8  ) (segid LO3 and resid  2 and name H8  ) -15.240 2.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 8 and name C8  ) (segid LO3 and resid  8 and name H8  )   -0.440 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 10 and name C8 ) (segid LO3 and resid 10 and name H8  )    2.490 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 20 and name C8 ) (segid LO3 and resid 20 and name H8  )   20.480 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 21 and name C8 ) (segid LO3 and resid 21 and name H8  )   14.710 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 22 and name C8 ) (segid LO3 and resid 22 and name H8  )   14.910 2.0

assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 24 and name C8 ) (segid LO3 and resid 24 and name H8  )   15.330 2.0
	
assign  (segid SANI  and resid 500 and name OO)
        (segid SANI  and resid 500 and name Z)
        (segid SANI  and resid 500 and name X)
        (segid SANI  and resid 500 and name Y)
        (segid LO3 and resid 25 and name C8 ) (segid LO3 and resid 25 and name H8  )    7.620 2.0
!
!RDCs not used in refinement
!
! (resid 12 : name C1') (resid 12 : name H1')   1.720 2.0
! (resid 13 : name C1') (resid 13 : name H1')   5.730 2.0
! (resid 14 : name C1') (resid 14 : name H1')  -8.040 2.0
! (resid 15 : name C1') (resid 15 : name H1')  19.360 2.0
! (resid 16 : name C1') (resid 16 : name H1')   1.000 2.0
! (resid 11 : name C5)  (resid 11 : name H5)   -3.770 2.0
! (resid 12 : name C5)  (resid 12 : name H5)    9.230 2.0
! (resid 14 : name C5)  (resid 14 : name H5)    0.720 2.0
! (resid 16 : name C5)  (resid 16 : name H5)    4.610 2.0
! (resid 23 : name C5)  (resid 23 : name H5)    1.590 2.0
! (resid 11 : name C6)  (resid 11 : name H6)   18.580 2.0
! (resid 12 : name C6)  (resid 12 : name H6)   -5.870 2.0
! (resid 14 : name C6)  (resid 14 : name H6)   13.310 2.0
! (resid 16 : name C6)  (resid 16 : name H6)   -1.830 2.0
! (resid 23 : name C6)  (resid 23 : name H6)    3.650 2.0
! (resid 13 : name C8)  (resid 13 : name H8)   15.350 2.0