*HEADER    RNA                                     20-MAY-04   1TBK
*TITLE     NMR STRUCTURE OF THE VS RIBOZYME STEM-LOOP V RNA IN THE
*TITLE    2 ABSENCE OF MULTIVALENT IONS.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: VS RIBOZYME STEM-LOOP V;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: SL5;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS DERIVED FROM THE
*SOURCE   4 NEUROSPORA VARKUD SATELLITE RIBOZYME
*KEYWDS    U-TURN; HAIRPIN
*EXPDTA    NMR, 11 STRUCTURES
*AUTHOR    D.O.CAMPBELL, P.LEGAULT
*REVDAT   1   01-MAR-05 1TBK    0
                                                                                                                  


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!File : sl5_3ddata.noe    !
!Taken from 90 ms and 180 ms HMQC-NOESY  !
!Calibration: 90 ms    !
!  I > 0.75  = 1.8 - 3.2 A  !
!    0.75 > I > 0.2  = 1.8 - 4.3 A  !
!     0.2 > I > 0.1 = 1.8 - 5.5 A  !
!     0.1 > I   = 1.8 - 7.0 A  !
!      180 ms    !
!      !
!If peak in 180 ms only = 1.8 - 7.0 A  !
!      !
!Last Modified : October 31, 2002  !
!      !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!90 MS DATA
!
!Peaks with assigned cross-peaks
!690
assign (resid 690 and name H1') (resid 690 and name H3') 4.0 2.2 0.1     ! 90msdata.470
assign (resid 690 and name H1') (resid 690 and name H5') 5.0 3.2 0.5     ! 90msdata.470
assign (resid 690 and name H1') (resid 690 and name H5'') 5.0 3.2 0.5     ! 90msdata.470
assign (resid 690 and name H1') (resid 690 and name H8) 4.0 2.2 0.1     ! 90msdata.470
assign (resid 690 and name H2') (resid 690 and name H3') 3.0 1.2 0.0     ! Noesylist.464
assign (resid 690 and name H2') (resid 690 and name H4') 4.0 2.2 0.1     ! 90msdata.288
assign (resid 690 and name H2') (resid 690 and name H5') 5.0 3.2 0.5     ! 90msdata.626
assign (resid 690 and name H2') (resid 690 and name H5'') 5.0 3.2 0.5     ! Noesylist.619
assign (resid 690 and name H2') (resid 690 and name H8) 5.0 3.2 0.5     ! 90msdata.113
assign (resid 690 and name H2') (resid 691 and name H5'') 5.0 3.2 2.0     ! Noesylist.466
assign (resid 690 and name H2') (resid 691 and name H1') 5.0 3.2 0.5     ! 90msdata.199
assign (resid 690 and name H2') (resid 691 and name H5) 5.0 3.2 0.5     ! 90msdata.187
assign (resid 690 and name H2') (resid 691 and name H6) 3.0 1.2 0.0     ! 90msdata.77
assign (resid 690 and name H3') (resid 690 and name H5'') 5.0 3.2 0.5     ! 90msdata.620
assign (resid 690 and name H3') (resid 690 and name H5') 5.0 3.2 0.5     ! 90msdata.627
assign (resid 690 and name H3') (resid 690 and name H8) 4.0 2.2 0.1   ! 90msdata.627
assign (resid 690 and name H3') (resid 691 and name H5) 5.0 3.2 0.5     ! 90msdata.471
assign (resid 690 and name H3') (resid 691 and name H5'') 5.0 3.2 2.0     ! Noesylist.472
assign (resid 690 and name H3') (resid 691 and name H6) 3.0 1.2 0.0     ! 90msdata.469
assign (resid 690 and name H4') (resid 690 and name H5'') 3.0 1.2 0.0     ! 90msdata.621
assign (resid 690 and name H4') (resid 690 and name H5') 5.0 3.2 0.5     ! 90msdata.628
assign (resid 690 and name H4') (resid 690 and name H8) 5.0 3.2 0.5     ! 90msdata.115
assign (resid 690 and name H4') (resid 691 and name H5) 5.0 3.2 2.0     ! 90msdata.287
assign (resid 690 and name H4') (resid 691 and name H6) 5.0 3.2 0.5     ! 90msdata.285
assign (resid 690 and name H5'') (resid 691 and name H5) 5.0 3.2 0.5     ! 90msdata.618
assign (resid 690 and name H5') (resid 691 and name H5) 5.0 3.2 0.5     ! 90msdata.625
assign (resid 690 and name H5') (resid 690 and name H8) 5.0 3.2 0.5     ! 90msdata.625
assign (resid 690 and name H5'') (resid 690 and name H8) 5.0 3.2 0.5     ! 90msdata.625
assign (resid 690 and name H8) (resid 691 and name H5) 5.0 3.2 2.0     ! 180msdata.674
assign (resid 690 and name H8) (resid 691 and name H6) 5.0 3.2 0.5     ! 90msdata.74

!691
assign (resid 691 and name H1') (resid 691 and name H3') 4.0 2.2 0.1     ! 90msdata.515
assign (resid 691 and name H1') (resid 691 and name H5') 5.0 3.2 0.5     ! 90msdata.182
assign (resid 691 and name H1') (resid 691 and name H5'') 5.0 3.2 0.5     ! 90msdata.182
assign (resid 691 and name H1') (resid 691 and name H5) 5.0 3.2 0.5     ! 90msdata.182
assign (resid 691 and name H1') (resid 691 and name H6) 4.0 2.2 0.1     ! 90msdata.182
assign (resid 691 and name H1') (resid 692 and name H5') 5.0 3.2 2.0     ! 180msdata.772
assign (resid 691 and name H1') (resid 692 and name H8) 5.0 3.2 0.5     ! 90msdata.121
assign (resid 691 and name H1') (resid 705 and name H1) 6.0 3.2 1.0 !  test.52
assign (resid 691 and name H2') (resid 691 and name H6) 4.0 2.2 0.1     ! 90msdata.78
assign (resid 691 and name H2') (resid 692 and name H8) 4.0 2.2 0.1     ! 90msdata.122
assign (resid 691 and name H3') (resid 691 and name H6) 4.0 2.2 0.1     ! 90msdata.514
assign (resid 691 and name H3') (resid 692 and name H8) 4.0 2.2 0.1     ! 90msdata.514
assign (resid 691 and name H4') (resid 691 and name H6) 5.0 3.2 0.5     ! 90msdata.339
assign (resid 691 and name H5') (resid 691 and name H6) 5.0 3.2 0.5     ! 90msdata.339
assign (resid 691 and name H5'') (resid 691 and name H6) 4.0 2.2 0.1     ! 90msdata.339
assign (resid 691 and name H41) (resid 705 and name H1) 4.5 2.7 1.0!  25noes.38
assign (resid 691 and name H42) (resid 705 and name H1) 4.5 2.7 1.0!  test.50
assign (resid 691 and name H4#) (resid 691 and name H6) 4.5 2.7 1.0 !  25noes.15
assign (resid 691 and name H4#) (resid 692 and name H21) 6.0 4.2 1.0 !  25noes.25
!assign (resid 691 and name H4#) (resid 692 and name H8) 6.0 4.2 1.0 !  25noes.21
assign (resid 691 and name H6) (resid 692 and name H8) 5.0 3.2 0.5     ! Noesylist.118

!692
assign (resid 692 and name H1') (resid 692 and name H3') 4.0 2.2 0.1     ! 90msdata.492
assign (resid 692 and name H1') (resid 692 and name H5'') 5.0 3.2 0.5     ! 90msdata.492
assign (resid 692 and name H1') (resid 692 and name H5') 5.0 3.2 0.5     ! 90msdata.492
assign (resid 692 and name H1') (resid 692 and name H1) 6.0 4.2 1.0 !  25noes.51
assign (resid 692 and name H1') (resid 692 and name H8) 4.0 2.2 0.1 !  25noes.51
assign (resid 692 and name H1') (resid 693 and name H8) 5.0 3.2 0.5     ! 90msdata.106
assign (resid 692 and name H1') (resid 705 and name H1) 6.0 4.2 1.0 !  25noes.43
assign (resid 692 and name H1') (resid 705 and name H2#) 6.0 4.2 1.0 !  test.105
assign (resid 692 and name H2') (resid 692 and name H5'') 5.0 3.2 0.5     ! 90msdata.411
assign (resid 692 and name H2') (resid 692 and name H8) 4.0 2.2 0.1     ! 90msdata.408
assign (resid 692 and name H2') (resid 693 and name H8) 3.0 1.2 0.0     ! 90msdata.107
assign (resid 692 and name H3') (resid 692 and name H5'') 4.0 2.2 0.1     ! 90msdata.493
assign (resid 692 and name H3') (resid 692 and name H8) 4.0 2.2 0.1     ! 90msdata.486
assign (resid 692 and name H3') (resid 693 and name H8) 3.0 1.2 0.0     ! 90msdata.485
assign (resid 692 and name H4') (resid 692 and name H8) 5.0 3.2 0.5     ! 90msdata.342
assign (resid 692 and name H5') (resid 692 and name H8) 5.0 3.2 0.5     ! 90msdata.572
assign (resid 692 and name H5'') (resid 692 and name H8) 4.0 2.2 0.1     ! 90msdata.572
assign (resid 692 and name H1) (resid 692 and name H2#) 4.5 2.7 1.0 !  test.3
assign (resid 692 and name H1) (resid 693 and name H1') 4.5 2.7 1.0!  25noes.49
assign (resid 692 and name H1) (resid 693 and name H2) 4.5 2.7 1.0 !  25noes.47
assign (resid 692 and name H1) (resid 693 and name H6#) 6.0 4.2 1.0 !  test.22
assign (resid 692 and name H1) (resid 693 and name H8) 6.0 4.2 1.0 !  test.54
assign (resid 692 and name H1) (resid 703 and name H3) 6.0 4.2 1.0 !  test.39
assign (resid 692 and name H1) (resid 704 and name H41) 4.5 2.7 1.0 !  25noes.39
assign (resid 692 and name H1) (resid 704 and name H42) 4.5 2.7 1.0 !  test.57
assign (resid 692 and name H1) (resid 704 and name H5) 6.0 4.2 1.0 !  test.60
assign (resid 692 and name H1) (resid 705 and name H1') 6.0 4.2 1.0!  25noes.50
assign (resid 692 and name H1) (resid 705 and name H1) 6.0 4.2 1.0 !  test.40
assign (resid 692 and name H1) (resid 705 and name H8) 6.0 4.2 1.0 !  25noes.46
assign (resid 692 and name H21) (resid 704 and name H4#) 4.5 2.7 1.0!  25noes.27
assign (resid 692 and name H2#) (resid 693 and name H1') 6.0 4.2 1.0 !  test.17
assign (resid 692 and name H2#) (resid 693 and name H2) 6.0 4.2 1.0 !  test.15
assign (resid 692 and name H2#) (resid 693 and name H8) 6.0 4.2 1.0 !  test.102
assign (resid 692 and name H2#) (resid 704 and name H1') 4.5 2.7 1.0 !  test.19
assign (resid 692 and name H2#) (resid 704 and name H41) 4.5 2.7 1.0 !  test.101
assign (resid 692 and name H2#) (resid 705 and name H1') 6.0 4.2 1.0 !  test.18
assign (resid 692 and name H2#) (resid 705 and name H1) 6.0 4.2 1.0 !  test.4
assign (resid 692 and name H2#) (resid 705 and name H8) 6.0 4.2 1.0 !  test.103
!assign (resid 692 and name H8) (resid 693 and name H6#) 6.0 4.2 1.0 !  test.96
assign (resid 692 and name H8) (resid 693 and name H8) 5.0 3.2 0.5 !  test.96
assign (resid 692 and name H8) (resid 705 and name H1) 6.0 4.2 1.0 !  test.92

!693
assign (resid 693 and name H1') (resid 693 and name H2) 5.0 3.2 0.5     ! 90msdata.7
assign (resid 693 and name H1') (resid 693 and name H3') 4.0 2.2 0.1     ! 90msdata.505
assign (resid 693 and name H1') (resid 693 and name H5'') 5.0 3.2 0.5     ! Noesylist.602
assign (resid 693 and name H1') (resid 693 and name H5') 5.0 3.2 0.5     ! Noesylist.602
assign (resid 693 and name H1') (resid 693 and name H8) 4.0 2.2 0.1     ! Noesylist.602
assign (resid 693 and name H1') (resid 694 and name H5') 5.0 3.2 2.0     ! 180msdata.693
assign (resid 693 and name H1') (resid 694 and name H5'') 5.0 3.2 2.0     ! 180msdata.697
assign (resid 693 and name H1') (resid 694 and name H8) 5.0 3.2 0.5     ! 90msdata.134
assign (resid 693 and name H2') (resid 693 and name H2) 5.0 3.2 0.5     ! 90msdata.396
assign (resid 693 and name H2') (resid 693 and name H8) 4.0 2.2 0.1     ! 90msdata.398
assign (resid 693 and name H2') (resid 694 and name H1') 5.0 3.2 0.5     ! 90msdata.247
assign (resid 693 and name H2') (resid 694 and name H8) 3.0 1.2 0.0     ! 90msdata.137
assign (resid 693 and name H2') (resid 694 and name H5'') 5.0 3.2 0.5     ! 90msdata.401
assign (resid 693 and name H3') (resid 693 and name H5'') 4.0 2.2 0.1     ! 90msdata.506
assign (resid 693 and name H3') (resid 693 and name H8) 4.0 2.2 0.1     ! 90msdata.499
assign (resid 693 and name H3') (resid 694 and name H8) 4.0 2.2 0.1     ! 90msdata.500
assign (resid 693 and name H4') (resid 693 and name H8) 5.0 3.2 0.5     ! 90msdata.108
assign (resid 693 and name H5') (resid 693 and name H8) 5.0 3.2 0.5     ! 90msdata.108
assign (resid 693 and name H5'') (resid 693 and name H8) 4.0 2.2 0.1     ! 90msdata.108
assign (resid 693 and name H4') (resid 694 and name H8) 5.0 3.2 2.0     ! 180msdata.138
assign (resid 693 and name H2) (resid 693 and name H6#) 4.5 2.7 1.0 !  test.26
assign (resid 693 and name H2) (resid 694 and name H1') 4.0 2.2 0.1     ! 90msdata.8
assign (resid 693 and name H2) (resid 694 and name H4') 5.0 3.2 2.0     ! 180msdata.787
assign (resid 693 and name H2) (resid 694 and name H1) 6.0 4.2 1.0 !  test.45
assign (resid 693 and name H2) (resid 694 and name H2#) 6.0 4.2 1.0 !  test.11
assign (resid 693 and name H2) (resid 704 and name H1') 4.0 2.2 0.1     ! 90msdata.205
assign (resid 693 and name H2) (resid 703 and name H1') 5.0 3.2 0.5     ! 90msdata.205
assign (resid 693 and name H2) (resid 703 and name H2') 5.0 3.2 0.5     ! 90msdata.10
assign (resid 693 and name H2) (resid 703 and name H3) 4.5 2.7 1.0 !  25noes.4
assign (resid 693 and name H2) (resid 704 and name H2') 5.0 3.2 2.0     ! 180msdata.10
assign (resid 693 and name H6#) (resid 694 and name H1) 6.0 4.2 1.0 !  test.21
assign (resid 693 and name H6#) (resid 702 and name H41) 6.0 4.2 1.0 !  test.24
assign (resid 693 and name H6#) (resid 702 and name H42) 6.0 4.2 1.0 !  test.27
!assign (resid 693 and name H6#) (resid 703 and name H6) 6.0 4.2 1.0 !  test.20
assign (resid 693 and name H6#) (resid 704 and name H41) 6.0 4.2 1.0 !  test.25
assign (resid 693 and name H6#) (resid 704 and name H42) 6.0 4.2 1.0 !  test.28
assign (resid 693 and name H8) (resid 694 and name H8) 5.0 3.2 0.5 !  test.28

!694
assign (resid 694 and name H1') (resid 694 and name H3') 4.0 2.2 0.1     ! 90msdata.250
assign (resid 694 and name H1') (resid 694 and name H5') 5.0 3.2 0.5     ! 90msdata.576
assign (resid 694 and name H1') (resid 694 and name H5'') 5.0 3.2 0.5     ! 90msdata.576
assign (resid 694 and name H1') (resid 694 and name H8) 4.0 2.2 0.1     ! 90msdata.576
assign (resid 694 and name H1') (resid 695 and name H5') 5.0 3.2 2.0     !180msdata.248
assign (resid 694 and name H1') (resid 695 and name H5) 5.0 3.2 2.0     ! 180msdata.740
assign (resid 694 and name H1') (resid 695 and name H6) 5.0 3.2 0.5     ! 90msdata.82
assign (resid 694 and name H2') (resid 694 and name H5'') 5.0 3.2 0.5     ! 90msdata.443
assign (resid 694 and name H2') (resid 694 and name H8) 5.0 3.2 0.5     ! 90msdata.433
assign (resid 694 and name H2') (resid 695 and name H5) 5.0 3.2 0.5     ! 90msdata.157
assign (resid 694 and name H2') (resid 695 and name H6) 3.0 1.2 0.0     ! 90msdata.84
assign (resid 694 and name H3') (resid 694 and name H5') 4.0 2.2 0.1     ! Noesylist.352
assign (resid 694 and name H3') (resid 694 and name H8) 4.0 2.2 0.1     ! Noesylist.352
assign (resid 694 and name H3') (resid 695 and name H5) 5.0 3.2 0.5     ! 90msdata.158
assign (resid 694 and name H3') (resid 695 and name H6) 5.0 3.2 0.5     ! 90msdata.490
assign (resid 694 and name H4') (resid 694 and name H8) 5.0 3.2 0.5     ! 90msdata.139
assign (resid 694 and name H4') (resid 695 and name H6) 5.0 3.2 2.0     ! 90msdata.343
assign (resid 694 and name H5') (resid 694 and name H8) 5.0 3.2 0.5     ! 180msdata.770
assign (resid 694 and name H5'') (resid 694 and name H8) 4.0 2.2 0.1     ! 180msdata.770
assign (resid 694 and name H5') (resid 695 and name H6) 5.0 3.2 2.0     ! 180msdata.770
assign (resid 694 and name H5'') (resid 695 and name H6) 5.0 3.2 2.0     ! 180msdata.771
assign (resid 694 and name H1) (resid 694 and name H21) 6.0 4.2 1.0 !  test.90
assign (resid 694 and name H1) (resid 694 and name H2#) 6.0 4.2 1.0 !  test.1
assign (resid 694 and name H1) (resid 695 and name H1') 6.0 4.2 1.0 !  test.48
assign (resid 694 and name H1) (resid 701 and name H2) 6.0 4.2 1.0 !  test.44
assign (resid 694 and name H1) (resid 701 and name H6#) 6.0 4.2 1.0 !  test.23
assign (resid 694 and name H1) (resid 702 and name H41) 4.5 2.7 1.0 !  25noes.37
assign (resid 694 and name H1) (resid 702 and name H42) 4.5 2.7 1.0 !  test.46
assign (resid 694 and name H1) (resid 703 and name H1') 6.0 4.2 1.0 !  25noes.41
assign (resid 694 and name H1) (resid 703 and name H3) 6.0 4.2 1.0 !  test.77
assign (resid 694 and name H2#) (resid 695 and name H1') 6.0 4.2 1.0 !  test.13
assign (resid 694 and name H2#) (resid 701 and name H2) 6.0 4.2 1.0 !  test.104
assign (resid 694 and name H2#) (resid 703 and name H1') 6.0 4.2 1.0 !  test.13
assign (resid 694 and name H2#) (resid 703 and name H3) 6.0 4.2 1.0 !  test.0
assign (resid 694 and name H8) (resid 695 and name H5) 5.0 3.2 0.5     ! 90msdata.154
assign (resid 694 and name H8) (resid 695 and name H6) 5.0 3.2 0.5     ! 90msdata.154

!695
assign (resid 695 and name H1') (resid 695 and name H3') 4.0 2.2 0.1     ! 90msdata.496
assign (resid 695 and name H1') (resid 695 and name H5') 5.0 3.2 0.5     ! 90msdata.496
assign (resid 695 and name H1') (resid 695 and name H5'') 5.0 3.2 0.5     ! 90msdata.496
assign (resid 695 and name H1') (resid 695 and name H5) 5.0 3.2 2.0     ! 180msdata.689
assign (resid 695 and name H1') (resid 695 and name H6) 4.0 2.2 0.1     ! 90msdata.218
assign (resid 695 and name H1') (resid 696 and name H5') 5.0 3.2 2.0     ! 180msdata.583
assign (resid 695 and name H1') (resid 696 and name H6) 5.0 3.2 0.5     ! Noesylist.217
assign (resid 695 and name H1') (resid 701 and name H2) 5.0 3.2 2.0     ! 180msdata.783
assign (resid 695 and name H2') (resid 695 and name H5'') 5.0 3.2 0.5     ! 90msdata.406
assign (resid 695 and name H2') (resid 695 and name H5) 5.0 3.2 2.0     ! 90msdata.405
assign (resid 695 and name H2') (resid 695 and name H6) 4.0 2.2 0.1     ! 90msdata.403
assign (resid 695 and name H2') (resid 696 and name H6) 3.0 1.2 0.0     ! 90msdata.43
assign (resid 695 and name H2') (resid 696 and name H5) 5.0 3.2 0.5     ! 90msdata.151
assign (resid 695 and name H3') (resid 695 and name H5'') 4.0 2.2 0.1     ! 90msdata.498
assign (resid 695 and name H3') (resid 695 and name H5) 5.0 3.2 0.5     ! 90msdata.497
assign (resid 695 and name H3') (resid 695 and name H6) 4.0 2.2 0.1     ! 90msdata.497
assign (resid 695 and name H3') (resid 696 and name H5) 5.0 3.2 0.5     ! 90msdata.152
assign (resid 695 and name H3') (resid 696 and name H6) 4.0 2.2 0.1     ! 90msdata.489
assign (resid 695 and name H4') (resid 695 and name H5'') 3.0 1.2 0.0     ! 90msdata.336
assign (resid 695 and name H4') (resid 695 and name H6) 5.0 3.2 0.5     ! 90msdata.334
assign (resid 695 and name H4') (resid 696 and name H6) 5.0 3.2 0.5     ! Noesylist.333
assign (resid 695 and name H5') (resid 695 and name H6) 5.0 3.2 0.5     ! 180msdata.693
assign (resid 695 and name H5'') (resid 695 and name H6) 5.0 3.2 0.5     ! 180msdata.693
assign (resid 695 and name H5') (resid 696 and name H6) 5.0 3.2 2.0     ! 180msdata.693
!assign (resid 695 and name H5) (resid 696 and name H1') 5.0 3.2 2.0     ! 90msdata.149
assign (resid 695 and name H5) (resid 696 and name H5) 5.0 3.2 0.5     ! 90msdata.149
assign (resid 695 and name H5) (resid 696 and name H6) 5.0 3.2 2.0     ! 180msdata.639
assign (resid 695 and name H6) (resid 696 and name H5') 5.0 3.2 2.0     ! 180msdata.691
assign (resid 695 and name H6) (resid 696 and name H5) 5.0 3.2 0.5     ! 90msdata.148
assign (resid 695 and name H6) (resid 696 and name H6) 5.0 3.2 0.5     ! 90msdata.148

!696
assign (resid 696 and name H1') (resid 696 and name H3') 4.0 2.2 0.1     ! 90msdata.483
assign (resid 696 and name H1') (resid 696 and name H5') 5.0 3.2 0.5     ! Noesylist.584
assign (resid 696 and name H1') (resid 696 and name H5'') 5.0 3.2 0.5     ! 90msdata.686
assign (resid 696 and name H1') (resid 696 and name H5) 5.0 3.2 2.0     ! 180msdata.658
assign (resid 696 and name H1') (resid 696 and name H6) 4.0 2.2 0.1     ! 180msdata.658
assign (resid 696 and name H1') (resid 697 and name H5') 5.0 3.2 2.0     ! 180msdata.686
assign (resid 696 and name H1') (resid 697 and name H5'') 5.0 3.2 2.0     ! 180msdata.685
assign (resid 696 and name H1') (resid 697 and name H3') 5.0 3.2 2.0     ! 180msdata.750
assign (resid 696 and name H1') (resid 697 and name H8) 5.0 3.2 2.0     ! 180msdata.683
assign (resid 696 and name H1') (resid 698 and name H8) 5.0 3.2 0.5     ! 180msdata.682
assign (resid 696 and name H1') (resid 699 and name H5) 5.0 3.2 0.5     ! 90msdata.212
assign (resid 696 and name H1') (resid 701 and name H2) 4.0 2.2 0.1     ! 90msdata.6
assign (resid 696 and name H2') (resid 696 and name H6) 4.0 2.2 0.1     ! 90msdata.431
assign (resid 696 and name H2') (resid 697 and name H1') 5.0 3.2 2.0     ! 90msdata.273
assign (resid 696 and name H2') (resid 697 and name H8) 4.0 2.2 0.1     ! 90msdata.100
assign (resid 696 and name H2') (resid 698 and name H8) 4.0 2.2 0.1     ! 90msdata.429
!assign (resid 696 and name H2') (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.649
!assign (resid 696 and name H2') (resid 701 and name H2) 5.0 3.2 2.0     ! 180msdata.649
assign (resid 696 and name H3') (resid 696 and name H5'') 5.0 3.2 0.5     ! 90msdata.484
assign (resid 696 and name H3') (resid 696 and name H5) 5.0 3.2 2.0     ! 90msdata.150
assign (resid 696 and name H3') (resid 696 and name H6) 4.0 2.2 0.1     ! 90msdata.150
assign (resid 696 and name H3') (resid 697 and name H8) 5.0 3.2 0.5     ! 90msdata.99
assign (resid 696 and name H3') (resid 698 and name H8) 5.0 3.2 2.0     ! 240msdata.610
assign (resid 696 and name H4') (resid 696 and name H6) 5.0 3.2 0.5     ! 90msdata.44
assign (resid 696 and name H4') (resid 697 and name H8) 5.0 3.2 2.0     ! 180msdata.652
!assign (resid 696 and name H4') (resid 701 and name H2) 5.0 3.2 2.0     ! 180msdata.652
assign (resid 696 and name H5'') (resid 696 and name H5) 5.0 3.2 2.0     ! 180msdata.774
assign (resid 696 and name H5') (resid 696 and name H5) 5.0 3.2 2.0     ! 180msdata.583
assign (resid 696 and name H5'') (resid 696 and name H6) 4.0 2.2 0.1     ! 180msdata.774
assign (resid 696 and name H5') (resid 696 and name H6) 5.0 3.2 0.5     ! 180msdata.774
assign (resid 696 and name H6) (resid 697 and name H5') 5.0 3.2 2.0     ! 180msdata.774

!697
assign (resid 697 and name H1') (resid 697 and name H2') 4.0 2.2 0.1     ! 90msdata.456
assign (resid 697 and name H1') (resid 697 and name H3') 4.0 2.2 0.1     ! 90msdata.416
assign (resid 697 and name H1') (resid 697 and name H4') 4.0 2.2 0.1     ! 90msdata.314
assign (resid 697 and name H1') (resid 697 and name H5') 5.0 3.2 2.0     ! 180msdata.711
assign (resid 697 and name H1') (resid 697 and name H5'') 5.0 3.2 2.0    ! 90msdata.562
assign (resid 697 and name H1') (resid 697 and name H2#) 6.0 4.2 1.0 !  25noes.57
assign (resid 697 and name H1') (resid 697 and name H8) 4.0 2.2 0.1     ! 90msdata.97
assign (resid 697 and name H1') (resid 698 and name H1') 5.0 3.2 2.0     ! 180msdata.734
assign (resid 697 and name H1') (resid 698 and name H2') 5.0 3.2 2.0     ! 180msdata.734
!assign (resid 697 and name H1') (resid 698 and name H3') 5.0 3.2 2.0     ! 180msdata.748
assign (resid 697 and name H1') (resid 698 and name H4') 5.0 3.2 2.0     ! 180msdata.734
assign (resid 697 and name H1') (resid 698 and name H5'') 5.0 3.2 2.0     ! 90msdata.551
assign (resid 697 and name H1') (resid 698 and name H5') 5.0 3.2 2.0     ! 90msdata.557
assign (resid 697 and name H1') (resid 698 and name H8) 5.0 3.2 0.5     ! 90msdata.49
assign (resid 697 and name H2') (resid 697 and name H4') 4.0 2.2 0.1     ! 90msdata.457
assign (resid 697 and name H2') (resid 697 and name H5'') 5.0 3.2 0.5     ! 90msdata.458
assign (resid 697 and name H2') (resid 697 and name H8) 4.0 2.2 0.1     ! 90msdata.98
assign (resid 697 and name H2') (resid 698 and name H8) 4.0 2.2 0.1     ! 90msdata.454
assign (resid 697 and name H3') (resid 697 and name H4') 3.0 1.2 0.0     ! 90msdata.315
assign (resid 697 and name H3') (resid 697 and name H5'') 4.0 2.2 0.1     ! 90msdata.564
assign (resid 697 and name H3') (resid 697 and name H8) 4.0 2.2 0.1     ! 90msdata.453
!assign (resid 697 and name H3') (resid 698 and name H5') 5.0 3.2 0.5     ! 90msdata.414
!assign (resid 697 and name H3') (resid 698 and name H5'') 5.0 3.2 0.5     ! 90msdata.414
assign (resid 697 and name H3') (resid 698 and name H8) 4.0 2.2 0.1     ! 90msdata.414
assign (resid 697 and name H4') (resid 697 and name H5') 3.0 1.2 0.0     ! 90msdata.316
assign (resid 697 and name H4') (resid 697 and name H5'') 3.0 1.2 0.0     ! 90msdata.317
assign (resid 697 and name H4') (resid 697 and name H8) 5.0 3.2 0.5     ! 90msdata.101
assign (resid 697 and name H4') (resid 698 and name H8) 5.0 3.2 0.5     ! 90msdata.53
!assign (resid 697 and name H4') (resid 698 and name H1') 5.0 3.2 2.0     ! 180msdata.729
assign (resid 697 and name H5') (resid 697 and name H8) 5.0 3.2 0.5     ! 90msdata.102
assign (resid 697 and name H5'') (resid 697 and name H8) 5.0 3.2 0.5     ! 90msdata.103
assign (resid 697 and name H5') (resid 698 and name H8) 5.0 3.2 2.0     ! 180msdata.735
assign (resid 697 and name H5'') (resid 698 and name H8) 5.0 3.2 2.0     ! 180msdata.766
assign (resid 697 and name H2#) (resid 698 and name H1') 4.5 2.7 1.0 !  25noes.55
assign (resid 697 and name H2#) (resid 698 and name H2) 6.0 4.2 1.0 !  test.5
assign (resid 697 and name H2#) (resid 699 and name H1') 6.0 4.2 1.0 !  25noes.56
assign (resid 697 and name H8) (resid 698 and name H8) 5.0 3.2 0.5 !  25noes.58
!698
assign (resid 698 and name H1') (resid 698 and name H2') 4.0 2.2 0.1     ! 90msdata.363
assign (resid 698 and name H1') (resid 698 and name H2) 5.0 3.2 0.5     ! 90msdata.2
assign (resid 698 and name H1') (resid 698 and name H3') 4.0 2.2 0.1     ! 90msdata.384
assign (resid 698 and name H1') (resid 698 and name H4') 4.0 2.2 0.1     ! 90msdata.294
assign (resid 698 and name H1') (resid 698 and name H5') 5.0 3.2 2.0     ! 90msdata.556
assign (resid 698 and name H1') (resid 698 and name H5'') 5.0 3.2 2.0     ! 90msdata.717
assign (resid 698 and name H1') (resid 698 and name H8) 4.0 2.2 0.1     ! 90msdata.717
!assign (resid 698 and name H1') (resid 699 and name H3') 5.0 3.2 2.0     ! 180msdata.738
assign (resid 698 and name H1') (resid 699 and name H5'') 5.0 3.2 2.0     ! 90msdata.716
assign (resid 698 and name H1') (resid 699 and name H5') 5.0 3.2 0.5     ! 90msdata.716
!assign (resid 698 and name H1') (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.714
assign (resid 698 and name H1') (resid 699 and name H6) 5.0 3.2 0.5     ! 90msdata.20
assign (resid 698 and name H2') (resid 698 and name H2) 5.0 3.2 2.0     ! 180msdata.776
assign (resid 698 and name H2') (resid 698 and name H3') 3.0 1.2 0.0     ! 90msdata.389
assign (resid 698 and name H2') (resid 698 and name H5'') 5.0 3.2 0.5     ! 90msdata.553
assign (resid 698 and name H2') (resid 698 and name H5') 5.0 3.2 0.5     ! 90msdata.559
assign (resid 698 and name H2') (resid 698 and name H8) 5.0 3.2 0.5     ! 90msdata.51
assign (resid 698 and name H2') (resid 699 and name H1') 5.0 3.2 2.0     ! 180msdata.746
assign (resid 698 and name H2') (resid 699 and name H5) 5.0 3.2 0.5     ! 90msdata.167
assign (resid 698 and name H2') (resid 699 and name H6) 4.0 2.2 0.1     ! 90msdata.25
assign (resid 698 and name H2) (resid 698 and name H6#) 6.0 4.2 1.0 !  test.34
assign (resid 698 and name H3') (resid 698 and name H4') 3.0 1.2 0.0     ! 90msdata.296
assign (resid 698 and name H3') (resid 698 and name H5'') 5.0 3.2 0.5     ! 90msdata.552
assign (resid 698 and name H3') (resid 698 and name H5') 5.0 3.2 0.5     ! 90msdata.558
assign (resid 698 and name H3') (resid 698 and name H8) 4.0 2.2 0.1     ! 90msdata.50
assign (resid 698 and name H3') (resid 699 and name H5') 5.0 3.2 0.5     ! 90msdata.547
assign (resid 698 and name H3') (resid 699 and name H5'') 5.0 3.2 2.0     ! 180msdata.741
assign (resid 698 and name H3') (resid 699 and name H5) 5.0 3.2 0.5     ! 90msdata.166
assign (resid 698 and name H3') (resid 699 and name H6) 5.0 3.2 0.5     ! 90msdata.23
assign (resid 698 and name H4') (resid 698 and name H5'') 3.0 1.2 0.0     ! 90msdata.554
assign (resid 698 and name H4') (resid 698 and name H5') 3.0 1.2 0.0     ! 90msdata.560
assign (resid 698 and name H4') (resid 698 and name H8) 5.0 3.2 0.5     ! 90msdata.292
assign (resid 698 and name H4') (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.649
assign (resid 698 and name H4') (resid 699 and name H6) 5.0 3.2 0.5     ! 90msdata.293
assign (resid 698 and name H4') (resid 700 and name H1') 5.0 3.2 2.0     ! 180msdata.295
assign (resid 698 and name H5'') (resid 698 and name H8) 5.0 3.2 0.5     ! 90msdata.54
assign (resid 698 and name H5') (resid 698 and name H8) 5.0 3.2 0.5     ! 90msdata.555
assign (resid 698 and name H5') (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.652
assign (resid 698 and name H5'') (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.653
assign (resid 698 and name H5'') (resid 699 and name H6) 5.0 3.2 2.0     ! 180msdata.729
assign (resid 698 and name H2) (resid 699 and name H1') 4.0 2.2 0.1     ! 90msdata.3
assign (resid 698 and name H2) (resid 699 and name H4') 5.0 3.2 2.0     ! 180msdata.727
assign (resid 698 and name H2) (resid 699 and name H5') 5.0 3.2 2.0     ! 180msdata.777
!assign (resid 698 and name H2) (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.777
assign (resid 698 and name H6#) (resid 698 and name H8) 6.0 4.2 1.0 !  test.100
!assign (resid 698 and name H8) (resid 699 and name H5') 5.0 3.2 2.0     ! 180msdata.674
assign (resid 698 and name H8) (resid 699 and name H5) 5.0 3.2 0.5     ! 90msdata.47
assign (resid 698 and name H8) (resid 699 and name H6) 5.0 3.2 0.5     ! 90msdata.47

!699
assign (resid 699 and name H1') (resid 699 and name H2') 4.0 2.2 0.1     ! 90msdata.378
assign (resid 699 and name H1') (resid 699 and name H3') 5.0 3.2 0.5     ! 90msdata.371
assign (resid 699 and name H1') (resid 699 and name H4') 4.0 2.2 0.1     ! 90msdata.307
assign (resid 699 and name H1') (resid 699 and name H5') 5.0 3.2 2.0     ! 180msdata.726
assign (resid 699 and name H1') (resid 699 and name H5'') 5.0 3.2 2.0     ! 180msdata.725
assign (resid 699 and name H1') (resid 699 and name H5) 5.0 3.2 2.0     ! 180msdata.666
assign (resid 699 and name H1') (resid 699 and name H6) 4.0 2.2 0.1     ! 180msdata.666
!assign (resid 699 and name H1') (resid 700 and name H2') 5.0 3.2 2.0     ! 180msdata.529
assign (resid 699 and name H1') (resid 700 and name H5'') 5.0 3.2 2.0     ! 180msdata.727
assign (resid 699 and name H1') (resid 700 and name H6) 5.0 3.2 2.0     ! Noesylist.269
assign (resid 699 and name H1') (resid 701 and name H8) 5.0 3.2 2.0     ! 180msdata.705
assign (resid 699 and name H2') (resid 699 and name H3') 3.0 1.2 0.0     ! 90msdata.373
assign (resid 699 and name H2') (resid 699 and name H5'') 5.0 3.2 2.0     ! 180msdata.739
assign (resid 699 and name H2') (resid 699 and name H5) 5.0 3.2 2.0     ! Noesylist.379
assign (resid 699 and name H2') (resid 699 and name H6) 4.0 2.2 0.1     ! 90msdata.27
!assign (resid 699 and name H2') (resid 700 and name H1') 5.0 3.2 2.0     ! 180msdata.656
!assign (resid 699 and name H2') (resid 700 and name H5) 5.0 3.2 2.0     ! 180msdata.656
assign (resid 699 and name H2') (resid 700 and name H6) 5.0 3.2 0.5     ! 90msdata.376
!assign (resid 699 and name H2') (resid 701 and name H1') 5.0 3.2 2.0     ! 90msdata.376
assign (resid 699 and name H2') (resid 701 and name H8) 5.0 3.2 0.5     ! 90msdata.95
assign (resid 699 and name H3') (resid 699 and name H4') 3.0 1.2 0.0     ! 90msdata.308
assign (resid 699 and name H3') (resid 699 and name H5') 4.0 2.2 0.1     ! 90msdata.548
assign (resid 699 and name H3') (resid 699 and name H5'') 4.0 2.2 0.1     ! 90msdata.544
assign (resid 699 and name H3') (resid 699 and name H6) 4.0 2.2 0.1     ! 90msdata.24
!assign (resid 699 and name H3') (resid 700 and name H1') 5.0 3.2 2.0     ! 90msdata.530
!assign (resid 699 and name H3') (resid 700 and name H5'') 5.0 3.2 2.0     ! 90msdata.530
!assign (resid 699 and name H3') (resid 700 and name H5') 5.0 3.2 2.0     ! 90msdata.531
assign (resid 699 and name H3') (resid 700 and name H5) 5.0 3.2 2.0     ! 90msdata.145
assign (resid 699 and name H3') (resid 700 and name H6) 5.0 3.2 0.5     ! 90msdata.14
assign (resid 699 and name H4') (resid 699 and name H5'') 3.0 1.2 0.0     ! 90msdata.310
assign (resid 699 and name H4') (resid 699 and name H6) 5.0 3.2 0.5     ! 90msdata.26
assign (resid 699 and name H4') (resid 700 and name H5) 5.0 3.2 2.0     ! 180msdata.655
assign (resid 699 and name H4') (resid 700 and name H6) 5.0 3.2 0.5     ! 90msdata.16
!assign (resid 699 and name H4') (resid 701 and name H8) 5.0 3.2 2.0     ! 180msdata.661
assign (resid 699 and name H5'') (resid 699 and name H6) 5.0 3.2 0.5     ! 180msdata.725
assign (resid 699 and name H5') (resid 699 and name H6) 5.0 3.2 0.5     ! 180msdata.725
assign (resid 699 and name H5'') (resid 700 and name H6) 5.0 3.2 2.0     ! 180msdata.730
assign (resid 699 and name H5) (resid 699 and name H6) 3.0 1.2 0.0     ! 90msdata.22
assign (resid 699 and name H6) (resid 700 and name H1') 5.0 3.2 2.0     ! 180msdata.701
assign (resid 699 and name H6) (resid 700 and name H4') 5.0 3.2 2.0     ! 180msdata.664
assign (resid 699 and name H6) (resid 700 and name H5') 5.0 3.2 2.0     ! 180msdata.664
!assign (resid 699 and name H6) (resid 700 and name H6) 5.0 3.2 2.0     ! 180msdata.700
!assign (resid 699 and name H6) (resid 701 and name H8) 5.0 3.2 2.0     ! 180msdata.700

!700
assign (resid 700 and name H1') (resid 700 and name H2') 4.0 2.2 0.1     ! 90msdata.452
assign (resid 700 and name H1') (resid 700 and name H3') 5.0 3.2 0.5     ! 90msdata.391
assign (resid 700 and name H1') (resid 700 and name H4') 4.0 2.2 0.1     ! 90msdata.301
assign (resid 700 and name H1') (resid 700 and name H5') 5.0 3.2 2.0     ! 180msdata.667
assign (resid 700 and name H1') (resid 700 and name H5'') 5.0 3.2 2.0     ! 180msdata.668
!assign (resid 700 and name H1') (resid 701 and name H1') 5.0 3.2 2.0     ! 90msdata.89
assign (resid 700 and name H1') (resid 701 and name H8) 5.0 3.2 0.5     ! 90msdata.89
assign (resid 700 and name H2') (resid 700 and name H6) 4.0 2.2 0.1     ! 90msdata.15
assign (resid 700 and name H2') (resid 701 and name H8) 4.0 2.2 0.1     ! 90msdata.93
assign (resid 700 and name H3') (resid 700 and name H5'') 4.0 2.2 0.1     ! 90msdata.532
assign (resid 700 and name H3') (resid 700 and name H5') 4.0 2.2 0.1     ! 90msdata.533
assign (resid 700 and name H3') (resid 700 and name H5) 5.0 3.2 2.0     ! 180msdata.392
assign (resid 700 and name H3') (resid 700 and name H6) 4.0 2.2 0.1     ! 90msdata.395
assign (resid 700 and name H3') (resid 701 and name H8) 4.0 2.2 0.1     ! 90msdata.394
assign (resid 700 and name H4') (resid 700 and name H5'') 3.0 1.2 0.0     ! 90msdata.534
assign (resid 700 and name H4') (resid 700 and name H5') 3.0 1.2 0.0     ! 90msdata.535
assign (resid 700 and name H4') (resid 700 and name H5) 5.0 3.2 2.0     ! 180msdata.754
assign (resid 700 and name H4') (resid 700 and name H6) 5.0 3.2 0.5     ! 90msdata.300
assign (resid 700 and name H4') (resid 701 and name H1') 5.0 3.2 2.0     ! 180msdata.753
assign (resid 700 and name H4') (resid 701 and name H8) 5.0 3.2 0.5     ! 90msdata.299
assign (resid 700 and name H5') (resid 700 and name H5) 5.0 3.2 2.0     ! 180msdata.656
assign (resid 700 and name H5'') (resid 700 and name H5) 5.0 3.2 2.0     ! 180msdata.657
assign (resid 700 and name H5'') (resid 700 and name H6) 4.0 2.2 0.1     ! 90msdata.529
assign (resid 700 and name H5') (resid 700 and name H6) 4.0 2.2 0.1     ! 90msdata.529
assign (resid 700 and name H5'') (resid 701 and name H8) 5.0 3.2 0.5     ! 90msdata.526
assign (resid 700 and name H5') (resid 701 and name H8) 5.0 3.2 2.0     ! 180msdata.671
assign (resid 700 and name H5') (resid 701 and name H1') 5.0 3.2 2.0     ! 180msdata.753
assign (resid 700 and name H5'') (resid 701 and name H1') 5.0 3.2 2.0     ! 180msdata.757
!assign (resid 700 and name H5) (resid 701 and name H8) 5.0 3.2 2.0 !  test.98
assign (resid 700 and name H6) (resid 701 and name H8) 5.0 3.2 2.0 !  test.98

!701
assign (resid 701 and name H1') (resid 701 and name H2) 5.0 3.2 0.5     ! 90msdata.5
assign (resid 701 and name H1') (resid 701 and name H3') 4.0 2.2 0.1     ! 90msdata.477
assign (resid 701 and name H1') (resid 701 and name H5') 5.0 3.2 0.5     ! 90msdata.570
assign (resid 701 and name H1') (resid 701 and name H5'') 5.0 3.2 2.0     ! 180msdata.769
assign (resid 701 and name H1') (resid 701 and name H8) 4.0 2.2 0.1     ! 180msdata.769
assign (resid 701 and name H1') (resid 702 and name H1') 5.0 3.2 2.0     ! 180msdata.676
assign (resid 701 and name H1') (resid 702 and name H5) 5.0 3.2 2.0     ! 180msdata.692
assign (resid 701 and name H1') (resid 702 and name H6) 5.0 3.2 0.5     ! 90msdata.62
assign (resid 701 and name H2') (resid 701 and name H2) 5.0 3.2 2.0     ! 90msdata.420
assign (resid 701 and name H2') (resid 701 and name H4') 4.0 2.2 0.1     ! 90msdata.330
assign (resid 701 and name H2') (resid 701 and name H5'') 5.0 3.2 2.0     ! 180msdata.746
assign (resid 701 and name H2') (resid 701 and name H8) 4.0 2.2 0.1     ! 90msdata.91
assign (resid 701 and name H2') (resid 702 and name H1') 5.0 3.2 0.5     ! 90msdata.191
assign (resid 701 and name H2') (resid 702 and name H5) 5.0 3.2 0.5     ! 90msdata.176
assign (resid 701 and name H2') (resid 702 and name H6) 3.0 1.2 0.0     ! 90msdata.67
assign (resid 701 and name H3') (resid 701 and name H5'') 4.0 2.2 0.1     ! 90msdata.479
assign (resid 701 and name H3') (resid 701 and name H8) 4.0 2.2 0.1     ! 90msdata.479
assign (resid 701 and name H3') (resid 702 and name H1') 5.0 3.2 2.0     ! 180msdata.678
assign (resid 701 and name H3') (resid 702 and name H5) 5.0 3.2 0.5     ! 90msdata.177
assign (resid 701 and name H3') (resid 702 and name H6) 4.0 2.2 0.1     ! 90msdata.68
assign (resid 701 and name H4') (resid 701 and name H5'') 3.0 1.2 0.0     ! 90msdata.332
assign (resid 701 and name H4') (resid 701 and name H8) 5.0 3.2 0.5     ! 90msdata.328
!assign (resid 701 and name H4') (resid 702 and name H5) 5.0 3.2 2.0     ! 180msdata.731
assign (resid 701 and name H4') (resid 702 and name H6) 5.0 3.2 2.0     ! 180msdata.731
assign (resid 701 and name H5') (resid 701 and name H8) 5.0 3.2 0.5     ! 180msdata.731
assign (resid 701 and name H5'') (resid 701 and name H8) 5.0 3.2 0.5     ! 180msdata.731
assign (resid 701 and name H5'') (resid 702 and name H6) 5.0 3.2 2.0     ! 180msdata.732
assign (resid 701 and name H2) (resid 701 and name H6#) 4.5 2.7 1.0 !  test.30
assign (resid 701 and name H2) (resid 702 and name H1') 4.0 2.2 0.1     ! Noesylist.188
!assign (resid 701 and name H2) (resid 702 and name H2') 5.0 3.2 2.0     ! 180msdata.641
assign (resid 701 and name H2) (resid 702 and name H4#) 6.0 4.2 1.0 !  25noes.19
assign (resid 701 and name H6#) (resid 701 and name H8) 6.0 4.2 1.0 !  test.99
assign (resid 701 and name H6#) (resid 702 and name H41) 6.0 4.2 1.0 !  test.29
assign (resid 701 and name H6#) (resid 702 and name H42) 6.0 4.2 1.0 !  test.32
!assign (resid 701 and name H6#) (resid 702 and name H6) 6.0 4.2 1.0 !  test.97
assign (resid 701 and name H8) (resid 702 and name H5) 5.0 3.2 0.5     ! 180msdata.671
assign (resid 701 and name H8) (resid 702 and name H6) 5.0 3.2 0.5     ! 180msdata.671

!702
assign (resid 702 and name H1') (resid 702 and name H3') 4.0 2.2 0.1     ! 90msdata.509
assign (resid 702 and name H1') (resid 702 and name H5') 5.0 3.2 0.5     ! 90msdata.509
assign (resid 702 and name H1') (resid 702 and name H5'') 5.0 3.2 0.5     ! 90msdata.509
assign (resid 702 and name H1') (resid 702 and name H5) 5.0 3.2 2.0     ! 180msdata.677
assign (resid 702 and name H1') (resid 702 and name H6) 4.0 2.2 0.1     ! 180msdata.677
assign (resid 702 and name H1') (resid 703 and name H5') 5.0 3.2 2.0     ! 180msdata.679
assign (resid 702 and name H1') (resid 703 and name H6) 5.0 3.2 0.5     ! 90msdata.30
assign (resid 702 and name H2') (resid 702 and name H5'') 5.0 3.2 0.5     ! 90msdata.447
assign (resid 702 and name H2') (resid 702 and name H6) 4.0 2.2 0.1     ! 90msdata.436
assign (resid 702 and name H2') (resid 703 and name H1') 5.0 3.2 0.5     ! 90msdata.208
assign (resid 702 and name H2') (resid 703 and name H5') 4.0 2.2 0.1     ! 90msdata.614
assign (resid 702 and name H2') (resid 703 and name H5) 5.0 3.2 0.5     ! 90msdata.163
assign (resid 702 and name H2') (resid 703 and name H6) 3.0 1.2 0.0     ! 90msdata.36
assign (resid 702 and name H3') (resid 702 and name H6) 4.0 2.2 0.1     ! 90msdata.162
assign (resid 702 and name H3') (resid 703 and name H5) 5.0 3.2 0.5     ! 90msdata.162
assign (resid 702 and name H3') (resid 703 and name H6) 4.0 2.2 0.1     ! 90msdata.35
assign (resid 702 and name H3') (resid 702 and name H5'') 4.0 2.2 0.1     ! 90msdata.512
assign (resid 702 and name H3') (resid 702 and name H5) 5.0 3.2 2.0     ! 180msdata.672
assign (resid 702 and name H4') (resid 702 and name H6) 5.0 3.2 0.5     ! 90msdata.344
assign (resid 702 and name H4') (resid 703 and name H5) 5.0 3.2 2.0     ! 180msdata.663
assign (resid 702 and name H5'') (resid 702 and name H5) 5.0 3.2 2.0     ! 180msdata.673
assign (resid 702 and name H5'') (resid 702 and name H6) 4.0 2.2 0.1     ! 180msdata.673
assign (resid 702 and name H5') (resid 702 and name H6) 5.0 3.2 0.5     ! 180msdata.673
assign (resid 702 and name H5'') (resid 703 and name H6) 5.0 3.2 2.0     ! 180msdata.673
assign (resid 702 and name H41) (resid 703 and name H3) 6.0 4.2 1.0 !  test.88
assign (resid 702 and name H4#) (resid 702 and name H6) 4.5 2.7 1.0!  25noes.18
assign (resid 702 and name H4#) (resid 703 and name H3) 6.0 4.2 1.0 !  25noes.7
assign (resid 702 and name H6) (resid 703 and name H5) 5.0 3.2 2.0     ! 180msdata.661
assign (resid 702 and name H6) (resid 703 and name H6) 5.0 3.2 2.0     ! 180msdata.661

!703
assign (resid 703 and name H1') (resid 703 and name H3') 4.0 2.2 0.1     ! 90msdata.518
assign (resid 703 and name H1') (resid 703 and name H5') 5.0 3.2 0.5     ! 90msdata.518
assign (resid 703 and name H1') (resid 703 and name H5'') 5.0 3.2 0.5     ! 90msdata.518
assign (resid 703 and name H1') (resid 703 and name H3) 4.5 2.7 1.0 !  25noes.5
assign (resid 703 and name H1') (resid 703 and name H5) 5.0 3.2 2.0     ! 180msdata.680
assign (resid 703 and name H1') (resid 703 and name H6) 4.0 2.2 0.1     ! 180msdata.680
assign (resid 703 and name H2') (resid 703 and name H6) 4.0 2.2 0.1     ! 90msdata.426
assign (resid 703 and name H2') (resid 704 and name H6) 3.0 1.2 0.0     ! 90msdata.427
assign (resid 703 and name H3') (resid 703 and name H5) 5.0 3.2 2.0     ! 90msdata.519
assign (resid 703 and name H3') (resid 703 and name H6) 4.0 2.2 0.1     ! 180msdata.662
assign (resid 703 and name H3') (resid 704 and name H6) 3.0 1.2 0.0     ! 90msdata.517
assign (resid 703 and name H4') (resid 703 and name H5'') 3.0 1.2 0.0     ! 90msdata.353
assign (resid 703 and name H4') (resid 703 and name H6) 5.0 3.2 0.5     ! 90msdata.34
assign (resid 703 and name H5') (resid 703 and name H6) 5.0 3.2 0.5     ! 90msdata.613
assign (resid 703 and name H5'') (resid 703 and name H6) 5.0 3.2 0.5     ! 90msdata.613
assign (resid 703 and name H5) (resid 704 and name H5) 5.0 3.2 0.5     ! 90msdata.171
assign (resid 703 and name H3) (resid 703 and name H6) 6.0 4.2 1.0 !  test.107
assign (resid 703 and name H3) (resid 704 and name H4#) 4.5 2.7 1.0 !  test.78
assign (resid 703 and name H5) (resid 704 and name H4#) 6.0 4.2 1.0 !  25noes.29
assign (resid 703 and name H6) (resid 704 and name H5) 5.0 3.2 2.0     ! 180msdata.637

!704
assign (resid 704 and name H1') (resid 704 and name H3') 4.0 2.2 0.1     ! 90msdata.507
assign (resid 704 and name H1') (resid 704 and name H5') 5.0 3.2 0.5     ! 90msdata.507
assign (resid 704 and name H1') (resid 704 and name H5'') 5.0 3.2 0.5     ! 90msdata.507
assign (resid 704 and name H1') (resid 704 and name H6) 4.0 2.2 0.1     ! 90msdata.507
assign (resid 704 and name H1') (resid 705 and name H8) 5.0 3.2 0.5     ! 90msdata.126
assign (resid 704 and name H2') (resid 704 and name H6) 4.0 2.2 0.1     ! 90msdata.59
assign (resid 704 and name H2') (resid 705 and name H1') 5.0 3.2 0.5     ! Noesylist.225
!assign (resid 704 and name H2') (resid 705 and name H5'') 4.0 2.2 0.1     ! 90msdata.438
assign (resid 704 and name H2') (resid 705 and name H8) 3.0 1.2 0.0     ! 90msdata.129
assign (resid 704 and name H3') (resid 704 and name H5) 5.0 3.2 2.0     ! 90msdata.172
assign (resid 704 and name H3') (resid 704 and name H6) 4.0 2.2 0.1     ! 90msdata.172
assign (resid 704 and name H3') (resid 705 and name H8) 3.0 1.2 0.0     ! 90msdata.128
assign (resid 704 and name H4') (resid 704 and name H6) 5.0 3.2 0.5     ! 90msdata.338
assign (resid 704 and name H5'') (resid 704 and name H5) 5.0 3.2 2.0     ! 180msdata.670
assign (resid 704 and name H5'') (resid 704 and name H6) 4.0 2.2 0.1     ! 180msdata.670
assign (resid 704 and name H5') (resid 704 and name H6) 5.0 3.2 0.5     ! 180msdata.670
assign (resid 704 and name H41) (resid 705 and name H1) 6.0 4.2 1.0 !  test.91
assign (resid 704 and name H4#) (resid 704 and name H6) 4.5 2.7 1.0 !  25noes.14
!assign (resid 704 and name H4#) (resid 705 and name H8) 6.0 4.2 1.0 !  25noes.16
assign (resid 704 and name H5) (resid 704 and name H6) 3.0 1.2 0.0     ! 90msdata.56
assign (resid 704 and name H6) (resid 705 and name H8) 5.0 3.2 0.5 !  25noes.16

!705
assign (resid 705 and name H1') (resid 705 and name H3') 4.0 2.2 0.1     ! 90msdata.494
assign (resid 705 and name H1') (resid 705 and name H5') 5.0 3.2 0.5     ! 90msdata.494
assign (resid 705 and name H1') (resid 705 and name H5'') 5.0 3.2 0.5     ! 90msdata.494
assign (resid 705 and name H1') (resid 705 and name H8) 4.0 2.2 0.1     ! 90msdata.494
assign (resid 705 and name H2') (resid 705 and name H8) 4.0 2.2 0.1     ! 90msdata.130
!assign (resid 705 and name H2') (resid 706 and name H3') 5.0 3.2 0.5     ! Noesylist.524
!assign (resid 705 and name H2') (resid 706 and name H4') 5.0 3.2 0.5     ! Noesylist.321
assign (resid 705 and name H2') (resid 706 and name H5) 5.0 3.2 0.5     ! Noesylist.184
assign (resid 705 and name H2') (resid 706 and name H5) 5.0 3.2 0.5     ! 180msdata.748
assign (resid 705 and name H2') (resid 706 and name H6) 4.0 2.2 0.1     ! Noesylist.70
assign (resid 705 and name H3') (resid 705 and name H5'') 4.0 2.2 0.1     ! 90msdata.495
assign (resid 705 and name H3') (resid 705 and name H8) 4.0 2.2 0.1     ! 90msdata.487
assign (resid 705 and name H3') (resid 706 and name H5) 5.0 3.2 0.5     ! Noesylist.183
assign (resid 705 and name H3') (resid 706 and name H6) 3.0 1.2 0.0     ! 90msdata.69
assign (resid 705 and name H4') (resid 705 and name H8) 5.0 3.2 0.5     ! 90msdata.341
assign (resid 705 and name H4') (resid 706 and name H6) 5.0 3.2 0.5     ! 90msdata.341
assign (resid 705 and name H5') (resid 705 and name H8) 5.0 3.2 0.5     ! 90msdata.341
assign (resid 705 and name H5'') (resid 705 and name H8) 4.0 2.2 0.1     ! 90msdata.341
assign (resid 705 and name H1) (resid 705 and name H2#) 4.5 2.7 1.0 !  test.2
assign (resid 705 and name H1) (resid 706 and name H1') 6.0 4.2 1.0 !  25noes.44
assign (resid 705 and name H1) (resid 706 and name H42) 6.0 4.2 1.0 !  test.93
assign (resid 705 and name H1) (resid 706 and name H41) 6.0 4.2 1.0 !  test.94
assign (resid 705 and name H8) (resid 706 and name H5) 5.0 3.2 2.0     ! 90msdata.179
assign (resid 705 and name H8) (resid 706 and name H6) 5.0 3.2 2.0     ! 90msdata.179

!706
assign (resid 706 and name H1') (resid 706 and name H3') 4.0 2.2 0.1     ! 90msdata.522
assign (resid 706 and name H1') (resid 706 and name H5') 5.0 3.2 0.5     ! 90msdata.522
assign (resid 706 and name H1') (resid 706 and name H5'') 5.0 3.2 0.5     ! 90msdata.522
assign (resid 706 and name H1') (resid 706 and name H5) 5.0 3.2 2.0     ! 90msdata.181
assign (resid 706 and name H1') (resid 706 and name H6) 4.0 2.2 0.1     ! 90msdata.181
assign (resid 706 and name H2') (resid 706 and name H3') 3.0 1.2 0.0     ! 90msdata.525
assign (resid 706 and name H2') (resid 706 and name H5') 5.0 3.2 0.5     ! Noesylist.359
assign (resid 706 and name H2') (resid 706 and name H5) 5.0 3.2 0.5     ! 90msdata.186
assign (resid 706 and name H2') (resid 706 and name H6) 4.0 2.2 0.1     ! 90msdata.72
assign (resid 706 and name H3') (resid 706 and name H5) 5.0 3.2 2.0     ! 90msdata.185
assign (resid 706 and name H3') (resid 706 and name H6) 4.0 2.2 0.1     ! 90msdata.185
assign (resid 706 and name H4') (resid 706 and name H5') 5.0 3.2 0.5     ! Noesylist.320
assign (resid 706 and name H4') (resid 706 and name H5'') 5.0 3.2 0.5     ! Noesylist.322
assign (resid 706 and name H4') (resid 706 and name H6) 4.0 2.2 0.1     ! Noesylist.318
assign (resid 706 and name H5') (resid 706 and name H6) 5.0 3.2 0.5     ! Noesylist.318
assign (resid 706 and name H5'') (resid 706 and name H6) 5.0 3.2 0.5     ! Noesylist.318
assign (resid 706 and name H6) (resid 706 and name H4#) 4.5 2.7 1.0!  25noes.17
!
!File: sl5_hbond.noe 
!Last Modified: October 31, 2002
! 
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! This file contains theoretical h-bond distances 
! for the base-paired residues.(690-695, 701-706) 
! 
! 
! Standard distances are from Saenger p. 118 & 123
! NH bond = 0.95
! For GC base pairs:
! go6 - ch42  = 1.96
! gh1 - cn3  = 2.00
! gh21 - co2 = 1.91 
! go6 - cn4 = 2.91
! gn1 - cn3 = 2.95
! gn2 - co2 = 2.86
! For AU base pairs: 
! ah61 - uo4 = 2.00 
! an1 - th3  = 1.87
! an6 - uo4 = 2.95 
! an1 - tn3  = 2.82
! For GU wobble pair:
! go6 - uh3 = 1.95
! gh1 - uo2 = 1.95
! go6 - un3 = 2.90
! gn1 - uo2 = 2.90
! For GA Saenger XI pair:
! gh22 - an7  = 1.99
! gn3 - ah62 = 1.99 
! 
! Additional distances to obtain base planarity:
! (obtained from discover )
! an6 - uh5 = 5.6 
! gn2 - ch6 = 7.25
! go6 - ch5 = 5.45
!
! Errors of + or - 0.1 are put on all constraints 
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
! 1. GC base pairs (4): G692-C704, G694-C702, G705-C691, G690-C706
! TOTAL = XX
!
!
!go6 - cn4 2.91 0.1 0.1
assign ( resid 692 and name o6 ) ( resid 704 and name n4 ) 2.91 0.1 0.1
assign ( resid 694 and name o6 ) ( resid 702 and name n4 ) 2.91 0.1 0.1
assign ( resid 705 and name o6 ) ( resid 691 and name n4 ) 2.91 0.1 0.1
assign ( resid 690 and name o6 ) ( resid 706 and name n4 ) 2.91 0.1 0.1
!
!gh1 - cn3 2.00 0.1 0.1
assign ( resid 692  and name h1 ) ( resid 704 and name n3  ) 2.00 0.1 0.1
assign ( resid 694  and name h1 ) ( resid 702 and name n3  ) 2.00 0.1 0.1
assign ( resid 705  and name h1 ) ( resid 691 and name n3  ) 2.00 0.1 0.1
assign ( resid 690  and name h1 ) ( resid 706 and name n3  ) 2.00 0.1 0.1
!
!gn1 - cn3 2.95 0.1 0.1
assign ( resid 692  and name n1 ) ( resid 704 and name n3  ) 2.95 0.1 0.1
assign ( resid 694  and name n1 ) ( resid 702 and name n3  ) 2.95 0.1 0.1
assign ( resid 705  and name n1 ) ( resid 691 and name n3  ) 2.95 0.1 0.1
assign ( resid 690  and name n1 ) ( resid 706 and name n3  ) 2.95 0.1 0.1
!
!gn2 - co2 2.86 0.1 0.1
assign ( resid 692  and name n2 ) ( resid 704 and name o2  ) 2.86 0.1 0.1
assign ( resid 694  and name n2 ) ( resid 702 and name o2  ) 2.86 0.1 0.1
assign ( resid 705  and name n2 ) ( resid 691 and name o2  ) 2.86 0.1 0.1
assign ( resid 690  and name n2 ) ( resid 706 and name o2  ) 2.86 0.1 0.1
!
!gn2 - ch6  7.25 0.1 0.1
assign ( resid 692  and name n2 ) ( resid 704 and name h6  ) 7.25 0.1 0.1
assign ( resid 694  and name n2 ) ( resid 702 and name h6  ) 7.25 0.1 0.1
assign ( resid 705  and name n2 ) ( resid 691 and name h6  ) 7.25 0.1 0.1
assign ( resid 690  and name n2 ) ( resid 706 and name h6  ) 7.25 0.1 0.1
!
!go6 - ch5  5.45 0.1 0.1
assign ( resid 692  and name o6 ) ( resid 704 and name h5  ) 5.45 0.1 0.1
assign ( resid 694  and name o6 ) ( resid 702 and name h5  ) 5.45 0.1 0.1
assign ( resid 705  and name o6 ) ( resid 691 and name h5  ) 5.45 0.1 0.1
assign ( resid 690  and name o6 ) ( resid 706 and name h5  ) 5.45 0.1 0.1
!
!
!       2. AU base pairs (2 ): A693-U703, A701-U695 (assumed)
! TOTAL = X
!
!
!an1 - uh3 1.87 0.1 0.1
assign ( resid 693 and name n1 ) ( resid  703 and name h3 ) 1.87 0.1 0.1
!assign ( resid 701 and name n1 ) ( resid  695 and name h3 ) 1.87 0.1 0.1

!an6 - uo4 2.95 0.1 0.1
assign ( resid 693 and name n6 ) ( resid  703 and name o4 ) 2.95 0.1 0.1
!assign ( resid 701 and name n6 ) ( resid  695 and name o4 ) 2.95 0.1 0.1

!an1 - un3 2.82 0.1 0.1
assign ( resid 693 and name n1 ) ( resid  703 and name n3 ) 2.82 0.1 0.1
assign ( resid 701 and name n1 ) ( resid  695 and name n3 ) 2.82 0.1 0.1

!an6 - uh5  5.6 0.1 0.1
assign ( resid 693 and name n6 ) ( resid  703 and name h5 ) 5.60 0.1 0.1
!assign ( resid 701 and name n6 ) ( resid  695 and name h5 ) 5.60 0.1 0.1
!
! 3. GA base pairs Saenger p.120 # XI (1 ): G15-A18
!       TOTAL = 0
!
!gh22 - an7 1.99 0.1 0.1
!assign ( resid  8  and name h22 ) ( resid 12 and name n7 ) 1.99 0.1 0.1
!
!gn3 - ah62 1.99 0.1 0.1
!assign ( resid  8  and name n3  ) ( resid 12 and name h62 ) 1.99 0.1 0.1
!File:  sl5_torsion.tbl      
!Last Modified : August 13, 2002 !Increase of Gamma
!
!
!This torsion constraint file is used to generate 3'endo puckers
!for appropriate nucleotides and to define the gamma and epsilon angles
!
! 
! Gamma:   50 +/- 15 (gauche +)
!   180 +/- 40 (trans) 
! Delta:   86 +/- 10  (3' endo)
!   155 +/- 10 (2' endo) 
! Epsilon: 50 +/- 15 (gauche +)
!   180 +/- 40 (trans)
!These values are in agreement with NMR of macromolecules p.225 (Hilbers'es 
!review)
!Delta Constraints:
! 3' endo: 690-696, 701-706
! Data suggests that there is some pucker equlibriium for 697-700
!Gamma constraints:
! gauche+:690-696, 701-706
! 697-U700 are not defined for it is not clear whether they are 3' endo. It 
! must be noted however that from the initial analysis of the HCCH E.COSY, these residues
! tend to a gauche+ conformation.
!Epsilon Constraints:  690-696, 701-706
! 697-700 have intermediate values for the coupling constants that define this angle
! 
!
assign (resid 690 and name O5')
       (resid 690 and name C5')
       (resid 690 and name C4')
       (resid 690 and name C3') 10.0 60.0 20.0 2
assign (resid 691 and name O5')
       (resid 691 and name C5')
       (resid 691 and name C4')
       (resid 691 and name C3') 10.0 60.0 20.0 2
assign (resid 692 and name O5')
       (resid 692 and name C5')
       (resid 692 and name C4')
       (resid 692 and name C3') 10.0 60.0 20.0 2
assign (resid 693 and name O5')
       (resid 693 and name C5')
       (resid 693 and name C4')
       (resid 693 and name C3') 10.0 60.0 20.0 2
assign (resid 694 and name O5')
       (resid 694 and name C5')
       (resid 694 and name C4')
       (resid 694 and name C3') 10.0 60.0 20.0 2
assign (resid 695 and name O5')
       (resid 695 and name C5')
       (resid 695 and name C4')
       (resid 695 and name C3') 10.0 60.0 20.0 2
assign (resid 696 and name O5')
       (resid 696 and name C5')
       (resid 696 and name C4')
       (resid 696 and name C3') 10.0 60.0 20.0 2
!assign (resid 697 and name O5')
!       (resid 697 and name C5')
!       (resid 697 and name C4')
!       (resid 697 and name C3') 10.0 50.0 25.0 2
!assign (resid 698 and name O5')
!       (resid 698 and name C5')
!       (resid 698 and name C4')
!       (resid 698 and name C3') 10.0 50.0 25.0 2
!assign (resid 699 and name O5')
!       (resid 699 and name C5')
!       (resid 699 and name C4')
!       (resid 699 and name C3') 10.0 50.0 25.0 2
!assign (resid 700 and name O5')
!       (resid 700 and name C5')
!       (resid 700 and name C4')
!       (resid 700 and name C3') 10.0 180.0 65.0 2
assign (resid 701 and name O5')
       (resid 701 and name C5')
       (resid 701 and name C4')
       (resid 701 and name C3') 10.0 60.0 20.0 2
assign (resid 702 and name O5')
       (resid 702 and name C5')
       (resid 702 and name C4')
       (resid 702 and name C3') 10.0 60.0 20.0 2
assign (resid 703 and name O5')
       (resid 703 and name C5')
       (resid 703 and name C4')
       (resid 703 and name C3') 10.0 60.0 20.0 2
assign (resid 704 and name O5')
       (resid 704 and name C5')
       (resid 704 and name C4')
       (resid 704 and name C3') 10.0 60.0 20.0 2
assign (resid 705 and name O5')
       (resid 705 and name C5')
       (resid 705 and name C4')
       (resid 705 and name C3') 10.0 60.0 20.0 2
assign (resid 706 and name O5')
       (resid 706 and name C5')
       (resid 706 and name C4')
       (resid 706 and name C3') 10.0 60.0 20.0 2
!
!       Delta constraints:
!       All except G697-U700 will be constrained as 3' endo
!
assign (resid 690 and name O3')
       (resid 690 and name C3')
       (resid 690 and name C4')
       (resid 690 and name C5') 10.0 86.0 10.0 2
assign (resid 691 and name O3')
       (resid 691 and name C3')
       (resid 691 and name C4')
       (resid 691 and name C5') 10.0 86.0 10.0 2
assign (resid 692 and name O3')
       (resid 692 and name C3')
       (resid 692 and name C4')
       (resid 692 and name C5') 10.0 86.0 10.0 2
assign (resid 693 and name O3')
       (resid 693 and name C3')
       (resid 693 and name C4')
       (resid 693 and name C5') 10.0 86.0 10.0 2
assign (resid 694 and name O3')
       (resid 694 and name C3')
       (resid 694 and name C4')
       (resid 694 and name C5') 10.0 86.0 10.0 2
assign (resid 695 and name O3')
       (resid 695 and name C3')
       (resid 695 and name C4')
       (resid 695 and name C5') 10.0 86.0 10.0 2
assign (resid 696 and name O3')
       (resid 696 and name C3')
       (resid 696 and name C4')
       (resid 696 and name C5') 10.0 86.0 10.0 2
!!assign (resid 697 and name O3')
!       (resid 697 and name C3')
!       (resid 697 and name C4')
!       (resid 697 and name C5') 10.0 110.0 45.0 2
!assign (resid 698 and name O3')
!       (resid 698 and name C3')
!       (resid 698 and name C4')
!       (resid 698 and name C5') 10.0 110.0 45.0 2
!!!assign (resid 699 and name O3')
!!       (resid 699 and name C3')
!!       (resid 699 and name C4')
!!       (resid 699 and name C5') 10.0 110.0 45.0 2
!assign (resid 700 and name O5')
!       (resid 700 and name C5')
!       (resid 700 and name C4')
!       (resid 700 and name C3') 10.0 110.0 45.0 2
assign (resid 701 and name O3')
       (resid 701 and name C3')
       (resid 701 and name C4')
       (resid 701 and name C5') 10.0 86.0 10.0 2
assign (resid 702 and name O3')
       (resid 702 and name C3')
       (resid 702 and name C4')
       (resid 702 and name C5') 10.0 86.0 10.0 2
assign (resid 703 and name O3')
       (resid 703 and name C3')
       (resid 703 and name C4')
       (resid 703 and name C5') 10.0 86.0 10.0 2
assign (resid 704 and name O3')
       (resid 704 and name C3')
       (resid 704 and name C4')
       (resid 704 and name C5') 10.0 86.0 10.0 2
assign (resid 705 and name O3')
       (resid 705 and name C3')
       (resid 705 and name C4')
       (resid 705 and name C5') 10.0 86.0 10.0 2
assign (resid 706 and name O3')
       (resid 706 and name C3')
       (resid 706 and name C4')
       (resid 706 and name C5') 10.0 86.0 10.0 2 

!       Delta constraints:
!       2' endo: none here yet
!
!assign (resid 697 and name O3')
!       (resid 697 and name C3')
!       (resid 697 and name C4')
!       (resid 697 and name C5') 10.0 155 10.0 2
!assign (resid 698 and name O3')
!       (resid 698 and name C3')
!       (resid 698 and name C4')
!       (resid 698 and name C5') 10.0 155 10.0 2




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G 690          1H5*        G 690 -10.851 -11.165  -2.332
    2   2H5*    G 690          2H5*        G 690 -10.564 -10.794  -0.620
    3    H4*    G 690           H4*        G 690 -10.663 -13.149  -0.671
    4    H3*    G 690           H3*        G 690  -7.815 -12.108  -0.688
    5    H2*    G 690           H2*        G 690  -6.949 -14.284  -0.926
    6   2HO*    G 690          2HO*        G 690  -9.428 -15.575  -0.611
    7    H1*    G 690           H1*        G 690  -8.803 -15.308  -2.665
    8    H8     G 690           H8         G 690  -8.034 -11.787  -3.714
    9    H1     G 690           H1         G 690  -3.426 -15.875  -5.362
   10   1H2     G 690          1H2         G 690  -3.757 -17.831  -4.372
   11   2H2     G 690          2H2         G 690  -5.113 -18.128  -3.306
   12    H5T    G 690           H5T        G 690  -8.590 -10.147  -1.061
   13   1H5*    C 691          1H5*        C 691  -7.981 -13.761   3.755
   14   2H5*    C 691          2H5*        C 691  -6.976 -12.568   4.604
   15    H4*    C 691           H4*        C 691  -6.061 -14.967   4.466
   16    H3*    C 691           H3*        C 691  -4.540 -12.460   3.688
   17    H2*    C 691           H2*        C 691  -2.690 -13.737   2.987
   18   2HO*    C 691          2HO*        C 691  -2.168 -15.332   4.272
   19    H1*    C 691           H1*        C 691  -4.027 -15.841   1.830
   20   1H4     C 691          1H4         C 691  -2.307 -11.663  -2.705
   21   2H4     C 691          2H4         C 691  -3.907 -10.962  -2.619
   22    H5     C 691           H5         C 691  -5.540 -11.598  -0.965
   23    H6     C 691           H6         C 691  -5.992 -13.045   0.961
   24   1H5*    G 692          1H5*        G 692  -2.384 -13.072   8.029
   25   2H5*    G 692          2H5*        G 692  -2.237 -11.336   8.371
   26    H4*    G 692           H4*        G 692  -0.048 -12.655   8.090
   27    H3*    G 692           H3*        G 692  -0.752 -10.070   6.675
   28    H2*    G 692           H2*        G 692   1.232 -10.136   5.406
   29   2HO*    G 692          2HO*        G 692   2.876 -10.621   6.699
   30    H1*    G 692           H1*        G 692   1.323 -12.812   4.865
   31    H8     G 692           H8         G 692  -2.265 -11.778   4.605
   32    H1     G 692           H1         G 692   1.155  -9.871  -0.428
   33   1H2     G 692          1H2         G 692   3.318 -10.147  -0.024
   34   2H2     G 692          2H2         G 692   3.917 -10.801   1.483
   35   1H5*    A 693          1H5*        A 693   3.090  -9.048   8.732
   36   2H5*    A 693          2H5*        A 693   3.093  -7.297   9.025
   37    H4*    A 693           H4*        A 693   4.807  -8.200   7.330
   38    H3*    A 693           H3*        A 693   2.886  -5.903   6.827
   39    H2*    A 693           H2*        A 693   3.676  -5.676   4.620
   40   2HO*    A 693          2HO*        A 693   5.714  -7.458   4.529
   41    H1*    A 693           H1*        A 693   4.018  -8.342   4.014
   42    H8     A 693           H8         A 693   0.772  -7.836   5.866
   43   1H6     A 693          1H6         A 693  -1.752  -6.198   0.493
   44   2H6     A 693          2H6         A 693  -2.071  -6.596   2.166
   45    H2     A 693           H2         A 693   2.696  -6.498  -0.090
   46   1H5*    G 694          1H5*        G 694   7.097  -4.642   6.197
   47   2H5*    G 694          2H5*        G 694   7.351  -2.887   6.287
   48    H4*    G 694           H4*        G 694   7.799  -4.021   4.017
   49    H3*    G 694           H3*        G 694   6.051  -1.575   4.443
   50    H2*    G 694           H2*        G 694   5.520  -1.514   2.149
   51   2HO*    G 694          2HO*        G 694   7.296  -3.541   1.384
   52    H1*    G 694           H1*        G 694   5.319  -4.223   1.692
   53    H8     G 694           H8         G 694   3.647  -3.352   4.951
   54    H1     G 694           H1         G 694   0.061  -1.889  -0.113
   55   1H2     G 694          1H2         G 694   1.260  -2.073  -1.970
   56   2H2     G 694          2H2         G 694   2.941  -2.557  -1.959
   57   1H5*    U 695          1H5*        U 695   9.733  -0.006   2.006
   58   2H5*    U 695          2H5*        U 695   9.903   1.712   2.421
   59    H4*    U 695           H4*        U 695   9.389   1.127  -0.043
   60    H3*    U 695           H3*        U 695   7.928   3.181   1.644
   61    H2*    U 695           H2*        U 695   6.412   3.624  -0.106
   62   2HO*    U 695          2HO*        U 695   6.967   2.450  -2.242
   63    H1*    U 695           H1*        U 695   6.052   1.070  -1.022
   64    H3     U 695           H3         U 695   2.301   2.774   1.065
   65    H5     U 695           H5         U 695   4.566   0.881   4.072
   66    H6     U 695           H6         U 695   6.379   0.659   2.474
   67   1H5*    U 696          1H5*        U 696   7.817   5.514  -1.742
   68   2H5*    U 696          2H5*        U 696   8.434   7.093  -1.212
   69    H4*    U 696           H4*        U 696   5.986   7.005  -1.996
   70    H3*    U 696           H3*        U 696   6.938   8.187   0.634
   71    H2*    U 696           H2*        U 696   4.723   8.687   1.253
   72   2HO*    U 696          2HO*        U 696   3.033   8.771  -0.265
   73    H1*    U 696           H1*        U 696   3.478   6.449   0.218
   74    H3     U 696           H3         U 696   3.245   6.661   4.826
   75    H5     U 696           H5         U 696   6.824   4.628   3.916
   76    H6     U 696           H6         U 696   6.506   5.243   1.591
   77   1H5*    G 697          1H5*        G 697   7.764  11.533   1.795
   78   2H5*    G 697          2H5*        G 697   6.500  10.422   2.361
   79    H4*    G 697           H4*        G 697   6.493  12.712   3.456
   80    H3*    G 697           H3*        G 697   4.104  11.478   2.072
   81    H2*    G 697           H2*        G 697   2.815  13.429   2.353
   82   2HO*    G 697          2HO*        G 697   4.558  14.943   3.846
   83    H1*    G 697           H1*        G 697   4.719  15.307   1.832
   84    H8     G 697           H8         G 697   5.201  12.369  -0.489
   85    H1     G 697           H1         G 697   0.487  16.240  -2.348
   86   1H2     G 697          1H2         G 697   0.038  17.710  -0.749
   87   2H2     G 697          2H2         G 697   0.899  17.737   0.774
   88   1H5*    A 698          1H5*        A 698   2.119  12.600   5.663
   89   2H5*    A 698          2H5*        A 698   0.735  11.499   5.819
   90    H4*    A 698           H4*        A 698   0.228  13.912   5.086
   91    H3*    A 698           H3*        A 698  -0.734  11.417   3.660
   92    H2*    A 698           H2*        A 698  -1.787  12.723   2.007
   93   2HO*    A 698          2HO*        A 698  -1.464  15.248   2.831
   94    H1*    A 698           H1*        A 698   0.105  14.713   1.777
   95    H8     A 698           H8         A 698   1.761  11.326   2.001
   96   1H6     A 698          1H6         A 698   0.715  10.701  -4.035
   97   2H6     A 698          2H6         A 698   1.531  10.025  -2.642
   98    H2     A 698           H2         A 698  -1.491  14.348  -2.608
   99   1H5*    C 699          1H5*        C 699  -4.233  13.359   3.756
  100   2H5*    C 699          2H5*        C 699  -5.589  12.221   3.894
  101    H4*    C 699           H4*        C 699  -5.226  13.347   1.603
  102    H3*    C 699           H3*        C 699  -5.537  10.365   2.054
  103    H2*    C 699           H2*        C 699  -5.249   9.956  -0.246
  104   2HO*    C 699          2HO*        C 699  -6.335  11.267  -1.500
  105    H1*    C 699           H1*        C 699  -3.358  11.908  -0.782
  106   1H4     C 699          1H4         C 699  -0.432   6.243  -0.268
  107   2H4     C 699          2H4         C 699  -0.148   6.571   1.426
  108    H5     C 699           H5         C 699  -1.061   8.484   2.571
  109    H6     C 699           H6         C 699  -2.443  10.495   2.340
  110   1H5*    U 700          1H5*        U 700  -7.057   8.652   0.470
  111   2H5*    U 700          2H5*        U 700  -7.901   7.555   1.581
  112    H4*    U 700           H4*        U 700  -5.238   7.357   1.037
  113    H3*    U 700           H3*        U 700  -6.838   6.640   3.505
  114    H2*    U 700           H2*        U 700  -4.888   6.286   4.779
  115   2HO*    U 700          2HO*        U 700  -3.435   5.164   3.701
  116    H1*    U 700           H1*        U 700  -3.362   8.353   3.860
  117    H3     U 700           H3         U 700  -4.689   9.147   8.188
  118    H5     U 700           H5         U 700  -7.858  10.519   5.771
  119    H6     U 700           H6         U 700  -6.752   9.511   3.862
  120   1H5*    A 701          1H5*        A 701  -7.299   6.098  -0.832
  121   2H5*    A 701          2H5*        A 701  -7.850   4.614  -1.634
  122    H4*    A 701           H4*        A 701  -6.206   5.673  -3.058
  123    H3*    A 701           H3*        A 701  -5.333   3.145  -1.626
  124    H2*    A 701           H2*        A 701  -3.166   3.321  -2.532
  125   2HO*    A 701          2HO*        A 701  -2.725   4.402  -4.391
  126    H1*    A 701           H1*        A 701  -2.853   6.045  -2.370
  127    H8     A 701           H8         A 701  -4.412   5.174   0.857
  128   1H6     A 701          1H6         A 701   0.978   2.873   2.745
  129   2H6     A 701          2H6         A 701  -0.625   3.364   3.243
  130    H2     A 701           H2         A 701   1.242   3.586  -1.686
  131   1H5*    C 702          1H5*        C 702  -5.041   2.018  -5.936
  132   2H5*    C 702          2H5*        C 702  -5.227   0.261  -6.106
  133    H4*    C 702           H4*        C 702  -2.888   1.263  -6.560
  134    H3*    C 702           H3*        C 702  -3.499  -1.115  -4.783
  135    H2*    C 702           H2*        C 702  -1.244  -1.288  -4.125
  136   2HO*    C 702          2HO*        C 702  -0.491   0.616  -6.111
  137    H1*    C 702           H1*        C 702  -0.649   1.374  -3.891
  138   1H4     C 702          1H4         C 702  -2.246  -0.922   1.867
  139   2H4     C 702          2H4         C 702  -3.883  -0.364   1.606
  140    H5     C 702           H5         C 702  -4.646   0.557  -0.486
  141    H6     C 702           H6         C 702  -4.005   1.142  -2.777
  142   1H5*    U 703          1H5*        U 703  -0.630  -2.248  -8.035
  143   2H5*    U 703          2H5*        U 703  -0.557  -3.989  -8.378
  144    H4*    U 703           H4*        U 703   1.566  -2.853  -7.418
  145    H3*    U 703           H3*        U 703   0.303  -5.430  -6.444
  146    H2*    U 703           H2*        U 703   1.848  -5.595  -4.669
  147   2HO*    U 703          2HO*        U 703   3.406  -4.086  -6.396
  148    H1*    U 703           H1*        U 703   1.949  -2.968  -3.934
  149    H3     U 703           H3         U 703  -0.233  -5.555  -0.801
  150    H5     U 703           H5         U 703  -3.184  -4.318  -3.545
  151    H6     U 703           H6         U 703  -1.411  -3.469  -4.969
  152   1H5*    C 704          1H5*        C 704   4.505  -6.688  -7.933
  153   2H5*    C 704          2H5*        C 704   4.379  -8.375  -8.469
  154    H4*    C 704           H4*        C 704   5.940  -7.882  -6.474
  155    H3*    C 704           H3*        C 704   3.795 -10.027  -6.553
  156    H2*    C 704           H2*        C 704   4.252 -10.632  -4.324
  157   2HO*    C 704          2HO*        C 704   6.484  -8.978  -3.999
  158    H1*    C 704           H1*        C 704   4.694  -8.126  -3.282
  159   1H4     C 704          1H4         C 704  -1.343  -9.844  -2.044
  160   2H4     C 704          2H4         C 704  -1.852  -9.034  -3.508
  161    H5     C 704           H5         C 704  -0.307  -8.093  -5.101
  162    H6     C 704           H6         C 704   2.057  -7.725  -5.631
  163   1H5*    G 705          1H5*        G 705   7.526 -13.367  -6.308
  164   2H5*    G 705          2H5*        G 705   6.592 -14.322  -7.477
  165    H4*    G 705           H4*        G 705   7.122 -15.441  -5.224
  166    H3*    G 705           H3*        G 705   4.377 -15.255  -6.497
  167    H2*    G 705           H2*        G 705   3.371 -16.284  -4.634
  168   2HO*    G 705          2HO*        G 705   5.998 -17.225  -4.168
  169    H1*    G 705           H1*        G 705   4.833 -15.102  -2.638
  170    H8     G 705           H8         G 705   3.814 -12.844  -5.562
  171    H1     G 705           H1         G 705  -0.553 -13.217  -0.932
  172   1H2     G 705          1H2         G 705   0.048 -14.747   0.557
  173   2H2     G 705          2H2         G 705   1.525 -15.674   0.408
  174   1H5*    C 706          1H5*        C 706   4.600 -19.630  -5.898
  175   2H5*    C 706          2H5*        C 706   3.986 -20.348  -7.401
  176    H4*    C 706           H4*        C 706   2.679 -20.870  -5.251
  177    H3*    C 706           H3*        C 706   1.425 -19.699  -7.755
  178    H2*    C 706           H2*        C 706  -0.687 -19.788  -6.739
  179   2HO*    C 706          2HO*        C 706  -0.083 -21.987  -5.785
  180    H1*    C 706           H1*        C 706   0.110 -18.972  -4.229
  181   1H4     C 706          1H4         C 706  -2.209 -13.953  -7.457
  182   2H4     C 706          2H4         C 706  -0.575 -13.540  -7.926
  183    H5     C 706           H5         C 706   1.327 -14.941  -7.459
  184    H6     C 706           H6         C 706   2.076 -17.041  -6.441
  185    H3T    C 706           H3T        C 706   1.243 -21.772  -8.221
  Start of MODEL    2
    1   1H5*    G 690          1H5*        G 690 -10.659 -11.420  -2.951
    2   2H5*    G 690          2H5*        G 690  -9.962 -11.058  -1.358
    3    H4*    G 690           H4*        G 690 -10.237 -13.489  -1.685
    4    H3*    G 690           H3*        G 690  -7.486 -12.275  -1.386
    5    H2*    G 690           H2*        G 690  -6.433 -14.354  -1.734
    6   2HO*    G 690          2HO*        G 690  -8.760 -15.895  -1.808
    7    H1*    G 690           H1*        G 690  -8.036 -15.332  -3.720
    8    H8     G 690           H8         G 690  -7.448 -11.617  -4.175
    9    H1     G 690           H1         G 690  -2.616 -15.190  -6.308
   10   1H2     G 690          1H2         G 690  -2.897 -17.298  -5.680
   11   2H2     G 690          2H2         G 690  -4.273 -17.823  -4.736
   12    H5T    G 690           H5T        G 690  -8.004 -10.664  -2.314
   13   1H5*    C 691          1H5*        C 691  -7.954 -13.893   3.159
   14   2H5*    C 691          2H5*        C 691  -6.931 -12.669   3.939
   15    H4*    C 691           H4*        C 691  -6.052 -15.120   3.780
   16    H3*    C 691           H3*        C 691  -4.548 -12.565   3.182
   17    H2*    C 691           H2*        C 691  -2.656 -13.758   2.434
   18   2HO*    C 691          2HO*        C 691  -2.700 -15.252   4.242
   19    H1*    C 691           H1*        C 691  -3.914 -15.770   1.076
   20   1H4     C 691          1H4         C 691  -2.429 -11.195  -3.128
   21   2H4     C 691          2H4         C 691  -3.959 -10.411  -2.809
   22    H5     C 691           H5         C 691  -5.486 -11.144  -1.097
   23    H6     C 691           H6         C 691  -5.880 -12.790   0.676
   24   1H5*    G 692          1H5*        G 692  -2.480 -13.763   7.356
   25   2H5*    G 692          2H5*        G 692  -1.980 -12.159   7.933
   26    H4*    G 692           H4*        G 692  -0.130 -13.844   7.238
   27    H3*    G 692           H3*        G 692  -0.349 -10.932   6.458
   28    H2*    G 692           H2*        G 692   1.522 -11.088   5.028
   29   2HO*    G 692          2HO*        G 692   3.140 -12.217   5.793
   30    H1*    G 692           H1*        G 692   1.022 -13.529   3.920
   31    H8     G 692           H8         G 692  -2.320 -11.931   4.166
   32    H1     G 692           H1         G 692   1.222  -9.257  -0.411
   33   1H2     G 692          1H2         G 692   3.329  -9.923  -0.227
   34   2H2     G 692          2H2         G 692   3.860 -11.025   1.024
   35   1H5*    A 693          1H5*        A 693   4.086 -10.663   8.141
   36   2H5*    A 693          2H5*        A 693   3.869  -9.035   8.813
   37    H4*    A 693           H4*        A 693   5.636  -9.358   6.938
   38    H3*    A 693           H3*        A 693   3.506  -7.204   7.059
   39    H2*    A 693           H2*        A 693   4.196  -6.349   4.978
   40   2HO*    A 693          2HO*        A 693   6.232  -6.681   4.148
   41    H1*    A 693           H1*        A 693   4.823  -8.739   3.728
   42    H8     A 693           H8         A 693   1.537  -8.824   5.636
   43   1H6     A 693          1H6         A 693  -1.105  -6.507   0.580
   44   2H6     A 693          2H6         A 693  -1.392  -7.186   2.165
   45    H2     A 693           H2         A 693   3.350  -6.438  -0.019
   46   1H5*    G 694          1H5*        G 694   7.569  -5.378   6.616
   47   2H5*    G 694          2H5*        G 694   7.592  -3.683   7.140
   48    H4*    G 694           H4*        G 694   8.079  -4.215   4.637
   49    H3*    G 694           H3*        G 694   6.195  -2.097   5.714
   50    H2*    G 694           H2*        G 694   5.568  -1.492   3.528
   51   2HO*    G 694          2HO*        G 694   7.788  -3.004   2.546
   52    H1*    G 694           H1*        G 694   5.617  -4.008   2.367
   53    H8     G 694           H8         G 694   3.844  -4.147   5.678
   54    H1     G 694           H1         G 694   0.201  -1.674   1.065
   55   1H2     G 694          1H2         G 694   1.430  -1.268  -0.736
   56   2H2     G 694          2H2         G 694   3.146  -1.605  -0.798
   57   1H5*    U 695          1H5*        U 695   9.144  -0.417   2.987
   58   2H5*    U 695          2H5*        U 695   9.406   1.335   3.100
   59    H4*    U 695           H4*        U 695   8.324   0.370   0.930
   60    H3*    U 695           H3*        U 695   7.356   2.763   2.527
   61    H2*    U 695           H2*        U 695   5.554   3.043   1.047
   62   2HO*    U 695          2HO*        U 695   6.950   1.347  -0.787
   63    H1*    U 695           H1*        U 695   5.111   0.348   0.432
   64    H3     U 695           H3         U 695   1.312   2.160   2.228
   65    H5     U 695           H5         U 695   3.789   1.286   5.524
   66    H6     U 695           H6         U 695   5.578   0.786   3.964
   67   1H5*    U 696          1H5*        U 696   7.303   4.251  -1.358
   68   2H5*    U 696          2H5*        U 696   8.340   5.688  -1.461
   69    H4*    U 696           H4*        U 696   6.147   6.245  -2.343
   70    H3*    U 696           H3*        U 696   6.962   7.445   0.308
   71    H2*    U 696           H2*        U 696   4.863   8.469   0.593
   72   2HO*    U 696          2HO*        U 696   4.304   9.449  -1.229
   73    H1*    U 696           H1*        U 696   3.255   6.489  -0.426
   74    H3     U 696           H3         U 696   2.339   6.558   4.013
   75    H5     U 696           H5         U 696   6.150   4.772   3.784
   76    H6     U 696           H6         U 696   6.169   5.271   1.409
   77   1H5*    G 697          1H5*        G 697   8.097  11.152   1.203
   78   2H5*    G 697          2H5*        G 697   6.809  10.057   1.746
   79    H4*    G 697           H4*        G 697   6.594  12.485   2.496
   80    H3*    G 697           H3*        G 697   4.458  10.892   1.080
   81    H2*    G 697           H2*        G 697   3.032  12.756   0.905
   82   2HO*    G 697          2HO*        G 697   4.245  14.716   2.233
   83    H1*    G 697           H1*        G 697   4.880  14.696   0.358
   84    H8     G 697           H8         G 697   5.816  11.588  -1.539
   85    H1     G 697           H1         G 697   0.998  14.753  -4.262
   86   1H2     G 697          1H2         G 697   0.257  16.332  -2.892
   87   2H2     G 697          2H2         G 697   0.951  16.604  -1.310
   88   1H5*    A 698          1H5*        A 698   2.487  12.746   4.396
   89   2H5*    A 698          2H5*        A 698   1.003  11.884   4.854
   90    H4*    A 698           H4*        A 698   0.717  14.175   3.719
   91    H3*    A 698           H3*        A 698  -0.664  11.607   2.931
   92    H2*    A 698           H2*        A 698  -1.684  12.627   1.068
   93   2HO*    A 698          2HO*        A 698  -0.878  15.173   2.092
   94    H1*    A 698           H1*        A 698   0.387  14.229   0.251
   95    H8     A 698           H8         A 698   1.611  10.805   1.329
   96   1H6     A 698          1H6         A 698   0.263   8.853  -4.353
   97   2H6     A 698          2H6         A 698   1.028   8.435  -2.836
   98    H2     A 698           H2         A 698  -1.355  13.021  -3.890
   99   1H5*    C 699          1H5*        C 699  -3.654  13.873   2.062
  100   2H5*    C 699          2H5*        C 699  -5.165  13.123   2.614
  101    H4*    C 699           H4*        C 699  -4.744  13.195   0.069
  102    H3*    C 699           H3*        C 699  -5.600  10.818   1.707
  103    H2*    C 699           H2*        C 699  -5.012   9.306   0.062
  104   2HO*    C 699          2HO*        C 699  -6.040  11.264  -1.747
  105    H1*    C 699           H1*        C 699  -3.704  11.246  -1.733
  106   1H4     C 699          1H4         C 699  -0.222   5.888  -1.757
  107   2H4     C 699          2H4         C 699   0.532   6.399  -0.263
  108    H5     C 699           H5         C 699  -0.174   8.340   0.975
  109    H6     C 699           H6         C 699  -1.750  10.217   1.044
  110   1H5*    U 700          1H5*        U 700  -7.224   8.760   0.474
  111   2H5*    U 700          2H5*        U 700  -8.285   8.192   1.779
  112    H4*    U 700           H4*        U 700  -5.576   7.723   1.655
  113    H3*    U 700           H3*        U 700  -7.581   7.765   3.915
  114    H2*    U 700           H2*        U 700  -5.888   7.717   5.553
  115   2HO*    U 700          2HO*        U 700  -4.065   6.672   5.223
  116    H1*    U 700           H1*        U 700  -4.101   9.420   4.406
  117    H3     U 700           H3         U 700  -6.202  11.233   8.097
  118    H5     U 700           H5         U 700  -8.549  12.294   4.761
  119    H6     U 700           H6         U 700  -7.212  10.777   3.419
  120   1H5*    A 701          1H5*        A 701  -8.038   5.975   0.008
  121   2H5*    A 701          2H5*        A 701  -8.218   4.274  -0.465
  122    H4*    A 701           H4*        A 701  -6.614   5.512  -1.919
  123    H3*    A 701           H3*        A 701  -5.729   3.152  -0.237
  124    H2*    A 701           H2*        A 701  -3.505   3.395  -0.972
  125   2HO*    A 701          2HO*        A 701  -4.227   3.654  -3.232
  126    H1*    A 701           H1*        A 701  -3.380   6.150  -1.057
  127    H8     A 701           H8         A 701  -5.001   5.554   2.170
  128   1H6     A 701          1H6         A 701   0.370   3.616   4.475
  129   2H6     A 701          2H6         A 701  -1.259   4.120   4.863
  130    H2     A 701           H2         A 701   0.769   3.831   0.003
  131   1H5*    C 702          1H5*        C 702  -5.411   2.082  -4.505
  132   2H5*    C 702          2H5*        C 702  -5.262   0.355  -4.892
  133    H4*    C 702           H4*        C 702  -3.118   1.799  -5.002
  134    H3*    C 702           H3*        C 702  -3.421  -0.851  -3.564
  135    H2*    C 702           H2*        C 702  -1.209  -0.729  -2.772
  136   2HO*    C 702          2HO*        C 702  -0.146  -0.241  -4.680
  137    H1*    C 702           H1*        C 702  -1.062   2.003  -2.340
  138   1H4     C 702          1H4         C 702  -1.983  -1.060   3.209
  139   2H4     C 702          2H4         C 702  -3.686  -0.682   3.084
  140    H5     C 702           H5         C 702  -4.675   0.328   1.134
  141    H6     C 702           H6         C 702  -4.245   1.196  -1.117
  142   1H5*    U 703          1H5*        U 703  -0.335  -0.976  -6.767
  143   2H5*    U 703          2H5*        U 703  -0.290  -2.477  -7.714
  144    H4*    U 703           H4*        U 703   1.949  -1.875  -6.840
  145    H3*    U 703           H3*        U 703   0.561  -4.414  -5.965
  146    H2*    U 703           H2*        U 703   2.294  -4.944  -4.458
  147   2HO*    U 703          2HO*        U 703   3.854  -4.047  -6.265
  148    H1*    U 703           H1*        U 703   2.813  -2.442  -3.485
  149    H3     U 703           H3         U 703   0.835  -4.962  -0.213
  150    H5     U 703           H5         U 703  -2.347  -3.480  -2.549
  151    H6     U 703           H6         U 703  -0.711  -2.660  -4.139
  152   1H5*    C 704          1H5*        C 704   4.394  -5.801  -7.906
  153   2H5*    C 704          2H5*        C 704   4.190  -7.463  -8.495
  154    H4*    C 704           H4*        C 704   5.831  -7.071  -6.529
  155    H3*    C 704           H3*        C 704   3.651  -9.170  -6.672
  156    H2*    C 704           H2*        C 704   4.137  -9.904  -4.486
  157   2HO*    C 704          2HO*        C 704   6.105  -9.249  -3.428
  158    H1*    C 704           H1*        C 704   4.653  -7.465  -3.322
  159   1H4     C 704          1H4         C 704  -1.379  -9.102  -1.995
  160   2H4     C 704          2H4         C 704  -1.909  -8.283  -3.449
  161    H5     C 704           H5         C 704  -0.389  -7.343  -5.064
  162    H6     C 704           H6         C 704   1.967  -6.985  -5.635
  163   1H5*    G 705          1H5*        G 705   7.252 -11.542  -6.291
  164   2H5*    G 705          2H5*        G 705   7.440 -12.725  -7.600
  165    H4*    G 705           H4*        G 705   7.496 -13.985  -5.576
  166    H3*    G 705           H3*        G 705   4.881 -14.117  -7.090
  167    H2*    G 705           H2*        G 705   3.879 -15.418  -5.398
  168   2HO*    G 705          2HO*        G 705   6.524 -15.822  -4.377
  169    H1*    G 705           H1*        G 705   4.944 -14.176  -3.202
  170    H8     G 705           H8         G 705   3.888 -11.903  -6.105
  171    H1     G 705           H1         G 705  -0.798 -13.184  -1.975
  172   1H2     G 705          1H2         G 705  -0.120 -14.698  -0.504
  173   2H2     G 705          2H2         G 705   1.486 -15.391  -0.541
  174   1H5*    C 706          1H5*        C 706   5.830 -18.339  -6.725
  175   2H5*    C 706          2H5*        C 706   5.207 -19.199  -8.149
  176    H4*    C 706           H4*        C 706   4.061 -19.690  -5.897
  177    H3*    C 706           H3*        C 706   2.607 -18.809  -8.408
  178    H2*    C 706           H2*        C 706   0.552 -19.002  -7.296
  179   2HO*    C 706          2HO*        C 706   1.901 -20.899  -5.872
  180    H1*    C 706           H1*        C 706   1.388 -17.999  -4.856
  181   1H4     C 706          1H4         C 706  -1.589 -13.333  -8.045
  182   2H4     C 706          2H4         C 706  -0.068 -12.879  -8.780
  183    H5     C 706           H5         C 706   1.964 -14.140  -8.497
  184    H6     C 706           H6         C 706   2.978 -16.109  -7.447
  185    H3T    C 706           H3T        C 706   3.133 -21.236  -7.009
  Start of MODEL    3
    1   1H5*    G 690          1H5*        G 690 -10.313 -12.057  -1.525
    2   2H5*    G 690          2H5*        G 690  -9.588 -12.119   0.094
    3    H4*    G 690           H4*        G 690 -10.056 -14.385  -0.798
    4    H3*    G 690           H3*        G 690  -7.232 -13.485  -0.205
    5    H2*    G 690           H2*        G 690  -6.324 -15.499  -1.024
    6   2HO*    G 690          2HO*        G 690  -8.955 -16.613  -1.105
    7    H1*    G 690           H1*        G 690  -7.972 -15.885  -3.177
    8    H8     G 690           H8         G 690  -7.310 -12.269  -3.325
    9    H1     G 690           H1         G 690  -2.067 -15.597  -4.768
   10   1H2     G 690          1H2         G 690  -2.341 -17.726  -4.210
   11   2H2     G 690          2H2         G 690  -3.814 -18.324  -3.482
   12    H5T    G 690           H5T        G 690  -7.946 -11.104  -0.672
   13   1H5*    C 691          1H5*        C 691  -7.019 -15.966   3.974
   14   2H5*    C 691          2H5*        C 691  -6.495 -14.438   4.709
   15    H4*    C 691           H4*        C 691  -4.810 -16.415   4.664
   16    H3*    C 691           H3*        C 691  -4.253 -13.555   3.822
   17    H2*    C 691           H2*        C 691  -2.048 -14.127   3.228
   18   2HO*    C 691          2HO*        C 691  -1.037 -15.383   4.592
   19    H1*    C 691           H1*        C 691  -2.539 -16.656   2.205
   20   1H4     C 691          1H4         C 691  -1.896 -12.613  -2.695
   21   2H4     C 691          2H4         C 691  -3.593 -12.204  -2.579
   22    H5     C 691           H5         C 691  -5.028 -13.014  -0.825
   23    H6     C 691           H6         C 691  -5.151 -14.392   1.199
   24   1H5*    G 692          1H5*        G 692  -2.176 -13.274   8.246
   25   2H5*    G 692          2H5*        G 692  -2.384 -11.520   8.424
   26    H4*    G 692           H4*        G 692   0.033 -12.470   8.214
   27    H3*    G 692           H3*        G 692  -1.148 -10.088   6.773
   28    H2*    G 692           H2*        G 692   0.804  -9.797   5.485
   29   2HO*    G 692          2HO*        G 692   2.011 -11.386   7.513
   30    H1*    G 692           H1*        G 692   1.409 -12.421   5.000
   31    H8     G 692           H8         G 692  -2.320 -11.944   4.744
   32    H1     G 692           H1         G 692   0.782  -9.892  -0.434
   33   1H2     G 692          1H2         G 692   2.964  -9.859  -0.048
   34   2H2     G 692          2H2         G 692   3.655 -10.344   1.485
   35   1H5*    A 693          1H5*        A 693   2.531  -9.069   8.451
   36   2H5*    A 693          2H5*        A 693   2.772  -7.427   9.083
   37    H4*    A 693           H4*        A 693   4.321  -7.965   7.207
   38    H3*    A 693           H3*        A 693   2.282  -5.736   6.972
   39    H2*    A 693           H2*        A 693   2.964  -5.278   4.765
   40   2HO*    A 693          2HO*        A 693   5.340  -6.550   5.611
   41    H1*    A 693           H1*        A 693   3.454  -7.862   3.925
   42    H8     A 693           H8         A 693   0.226  -7.566   5.895
   43   1H6     A 693          1H6         A 693  -2.494  -5.890   0.631
   44   2H6     A 693          2H6         A 693  -2.756  -6.336   2.302
   45    H2     A 693           H2         A 693   1.944  -6.026  -0.074
   46   1H5*    G 694          1H5*        G 694   6.409  -4.582   6.238
   47   2H5*    G 694          2H5*        G 694   6.870  -2.880   6.444
   48    H4*    G 694           H4*        G 694   7.163  -3.900   4.094
   49    H3*    G 694           H3*        G 694   5.728  -1.306   4.729
   50    H2*    G 694           H2*        G 694   5.198  -1.003   2.453
   51   2HO*    G 694          2HO*        G 694   6.995  -3.114   1.766
   52    H1*    G 694           H1*        G 694   4.706  -3.640   1.788
   53    H8     G 694           H8         G 694   3.018  -2.964   5.050
   54    H1     G 694           H1         G 694  -0.109  -0.345   0.152
   55   1H2     G 694          1H2         G 694   1.149  -0.413  -1.675
   56   2H2     G 694          2H2         G 694   2.755  -1.102  -1.684
   57   1H5*    U 695          1H5*        U 695   9.427  -0.060   2.297
   58   2H5*    U 695          2H5*        U 695   9.729   1.667   2.575
   59    H4*    U 695           H4*        U 695   8.908   0.891   0.217
   60    H3*    U 695           H3*        U 695   7.865   3.231   1.844
   61    H2*    U 695           H2*        U 695   6.267   3.710   0.181
   62   2HO*    U 695          2HO*        U 695   7.844   2.050  -1.533
   63    H1*    U 695           H1*        U 695   5.668   1.110  -0.579
   64    H3     U 695           H3         U 695   1.977   3.189   1.192
   65    H5     U 695           H5         U 695   4.142   1.711   4.493
   66    H6     U 695           H6         U 695   5.960   1.175   2.977
   67   1H5*    U 696          1H5*        U 696   8.605   5.056  -1.679
   68   2H5*    U 696          2H5*        U 696   9.012   6.776  -1.521
   69    H4*    U 696           H4*        U 696   6.697   6.360  -2.409
   70    H3*    U 696           H3*        U 696   7.202   7.898   0.154
   71    H2*    U 696           H2*        U 696   4.894   8.173   0.500
   72   2HO*    U 696          2HO*        U 696   3.403   8.080  -1.155
   73    H1*    U 696           H1*        U 696   4.019   5.732  -0.498
   74    H3     U 696           H3         U 696   2.895   5.782   3.904
   75    H5     U 696           H5         U 696   7.059   5.125   3.897
   76    H6     U 696           H6         U 696   7.050   5.508   1.501
   77   1H5*    G 697          1H5*        G 697   8.316  10.984   1.030
   78   2H5*    G 697          2H5*        G 697   7.252   9.715   1.669
   79    H4*    G 697           H4*        G 697   7.166  11.830   2.999
   80    H3*    G 697           H3*        G 697   4.737  10.655   1.646
   81    H2*    G 697           H2*        G 697   3.384  12.479   2.271
   82   2HO*    G 697          2HO*        G 697   5.308  13.731   3.879
   83    H1*    G 697           H1*        G 697   5.166  14.513   1.885
   84    H8     G 697           H8         G 697   5.485  11.876  -0.822
   85    H1     G 697           H1         G 697   0.672  15.935  -1.833
   86   1H2     G 697          1H2         G 697   0.366  17.209  -0.045
   87   2H2     G 697          2H2         G 697   1.347  17.060   1.396
   88   1H5*    A 698          1H5*        A 698   2.981  11.896   5.184
   89   2H5*    A 698          2H5*        A 698   1.611  10.810   5.494
   90    H4*    A 698           H4*        A 698   1.039  13.193   4.733
   91    H3*    A 698           H3*        A 698  -0.027  10.632   3.551
   92    H2*    A 698           H2*        A 698  -1.142  11.766   1.811
   93   2HO*    A 698          2HO*        A 698  -1.083  14.246   2.002
   94    H1*    A 698           H1*        A 698   0.739  13.640   1.211
   95    H8     A 698           H8         A 698   2.344  10.305   2.076
   96   1H6     A 698          1H6         A 698   1.469   8.696  -3.802
   97   2H6     A 698          2H6         A 698   2.219   8.245  -2.288
   98    H2     A 698           H2         A 698  -0.660  12.592  -3.091
   99   1H5*    C 699          1H5*        C 699  -3.177  12.910   3.400
  100   2H5*    C 699          2H5*        C 699  -4.726  12.066   3.600
  101    H4*    C 699           H4*        C 699  -4.118  12.876   1.224
  102    H3*    C 699           H3*        C 699  -5.061  10.116   1.998
  103    H2*    C 699           H2*        C 699  -4.482   9.228  -0.057
  104   2HO*    C 699          2HO*        C 699  -4.819  10.523  -1.992
  105    H1*    C 699           H1*        C 699  -2.924  11.529  -1.005
  106   1H4     C 699          1H4         C 699   0.404   6.248  -2.348
  107   2H4     C 699          2H4         C 699   0.901   6.142  -0.674
  108    H5     C 699           H5         C 699   0.059   7.602   1.048
  109    H6     C 699           H6         C 699  -1.443   9.474   1.539
  110   1H5*    U 700          1H5*        U 700  -8.157   7.546   1.163
  111   2H5*    U 700          2H5*        U 700  -8.199   8.616   2.576
  112    H4*    U 700           H4*        U 700  -5.693   7.481   1.282
  113    H3*    U 700           H3*        U 700  -7.374   6.646   3.649
  114    H2*    U 700           H2*        U 700  -5.477   6.312   4.999
  115   2HO*    U 700          2HO*        U 700  -3.824   5.360   4.096
  116    H1*    U 700           H1*        U 700  -3.924   8.406   4.129
  117    H3     U 700           H3         U 700  -5.410   8.744   8.521
  118    H5     U 700           H5         U 700  -8.157  10.851   6.116
  119    H6     U 700           H6         U 700  -7.079   9.895   4.164
  120   1H5*    A 701          1H5*        A 701  -7.873   6.126  -0.685
  121   2H5*    A 701          2H5*        A 701  -8.199   4.618  -1.564
  122    H4*    A 701           H4*        A 701  -6.629   6.021  -2.825
  123    H3*    A 701           H3*        A 701  -5.679   3.395  -1.660
  124    H2*    A 701           H2*        A 701  -3.478   3.772  -2.416
  125   2HO*    A 701          2HO*        A 701  -3.041   5.486  -3.952
  126    H1*    A 701           H1*        A 701  -3.295   6.456  -1.909
  127    H8     A 701           H8         A 701  -4.998   5.246   1.104
  128   1H6     A 701          1H6         A 701   0.277   2.716   3.025
  129   2H6     A 701          2H6         A 701  -1.348   3.169   3.488
  130    H2     A 701           H2         A 701   0.775   3.870  -1.290
  131   1H5*    C 702          1H5*        C 702  -5.685   2.442  -6.132
  132   2H5*    C 702          2H5*        C 702  -5.799   0.678  -6.288
  133    H4*    C 702           H4*        C 702  -3.491   1.782  -6.699
  134    H3*    C 702           H3*        C 702  -4.062  -0.619  -4.945
  135    H2*    C 702           H2*        C 702  -1.812  -0.729  -4.256
  136   2HO*    C 702          2HO*        C 702  -0.579   1.156  -5.713
  137    H1*    C 702           H1*        C 702  -1.287   1.965  -4.064
  138   1H4     C 702          1H4         C 702  -2.629  -0.318   1.756
  139   2H4     C 702          2H4         C 702  -4.308   0.108   1.515
  140    H5     C 702           H5         C 702  -5.173   0.939  -0.573
  141    H6     C 702           H6         C 702  -4.619   1.536  -2.885
  142   1H5*    U 703          1H5*        U 703  -1.024  -1.663  -8.038
  143   2H5*    U 703          2H5*        U 703  -0.892  -3.406  -8.349
  144    H4*    U 703           H4*        U 703   1.155  -2.191  -7.310
  145    H3*    U 703           H3*        U 703  -0.087  -4.791  -6.378
  146    H2*    U 703           H2*        U 703   1.392  -4.917  -4.549
  147   2HO*    U 703          2HO*        U 703   3.347  -3.889  -4.507
  148    H1*    U 703           H1*        U 703   1.474  -2.253  -3.874
  149    H3     U 703           H3         U 703  -0.601  -4.684  -0.583
  150    H5     U 703           H5         U 703  -3.603  -3.830  -3.418
  151    H6     U 703           H6         U 703  -1.874  -2.982  -4.895
  152   1H5*    C 704          1H5*        C 704   4.172  -5.985  -7.715
  153   2H5*    C 704          2H5*        C 704   4.142  -7.724  -8.070
  154    H4*    C 704           H4*        C 704   5.522  -6.880  -6.018
  155    H3*    C 704           H3*        C 704   3.625  -9.239  -6.125
  156    H2*    C 704           H2*        C 704   3.912  -9.650  -3.827
  157   2HO*    C 704          2HO*        C 704   6.297  -8.134  -4.164
  158    H1*    C 704           H1*        C 704   4.112  -7.035  -2.941
  159   1H4     C 704          1H4         C 704  -1.784  -9.183  -1.734
  160   2H4     C 704          2H4         C 704  -2.306  -8.576  -3.289
  161    H5     C 704           H5         C 704  -0.795  -7.648  -4.919
  162    H6     C 704           H6         C 704   1.543  -7.104  -5.412
  163   1H5*    G 705          1H5*        G 705   7.896 -11.816  -6.504
  164   2H5*    G 705          2H5*        G 705   7.156 -13.039  -7.557
  165    H4*    G 705           H4*        G 705   8.107 -13.864  -5.319
  166    H3*    G 705           H3*        G 705   5.338 -14.426  -6.393
  167    H2*    G 705           H2*        G 705   4.709 -15.556  -4.421
  168   2HO*    G 705          2HO*        G 705   6.745 -15.718  -2.833
  169    H1*    G 705           H1*        G 705   5.901 -13.927  -2.582
  170    H8     G 705           H8         G 705   4.477 -11.739  -5.276
  171    H1     G 705           H1         G 705  -0.014 -13.942  -1.322
  172   1H2     G 705          1H2         G 705   0.830 -15.526  -0.021
  173   2H2     G 705          2H2         G 705   2.498 -16.041  -0.127
  174   1H5*    C 706          1H5*        C 706   6.279 -18.087  -5.167
  175   2H5*    C 706          2H5*        C 706   6.145 -19.340  -6.417
  176    H4*    C 706           H4*        C 706   4.674 -19.866  -4.524
  177    H3*    C 706           H3*        C 706   3.375 -19.029  -7.132
  178    H2*    C 706           H2*        C 706   1.256 -19.385  -6.202
  179   2HO*    C 706          2HO*        C 706   2.606 -20.808  -4.120
  180    H1*    C 706           H1*        C 706   1.833 -18.435  -3.656
  181   1H4     C 706          1H4         C 706  -1.310 -13.853  -6.797
  182   2H4     C 706          2H4         C 706   0.193 -13.304  -7.502
  183    H5     C 706           H5         C 706   2.288 -14.455  -7.208
  184    H6     C 706           H6         C 706   3.396 -16.380  -6.170
  185    H3T    C 706           H3T        C 706   4.649 -21.108  -6.531
  Start of MODEL    4
    1   1H5*    G 690          1H5*        G 690 -10.146 -12.418  -2.706
    2   2H5*    G 690          2H5*        G 690  -9.679 -12.173  -1.011
    3    H4*    G 690           H4*        G 690  -9.776 -14.572  -1.558
    4    H3*    G 690           H3*        G 690  -7.142 -13.275  -0.843
    5    H2*    G 690           H2*        G 690  -5.949 -15.266  -1.241
    6   2HO*    G 690          2HO*        G 690  -7.418 -17.239  -1.713
    7    H1*    G 690           H1*        G 690  -7.295 -16.159  -3.452
    8    H8     G 690           H8         G 690  -6.723 -12.390  -3.431
    9    H1     G 690           H1         G 690  -1.753 -15.710  -5.652
   10   1H2     G 690          1H2         G 690  -2.086 -17.879  -5.333
   11   2H2     G 690          2H2         G 690  -3.532 -18.506  -4.573
   12    H5T    G 690           H5T        G 690  -8.589 -11.048  -3.028
   13   1H5*    C 691          1H5*        C 691  -7.386 -15.507   3.324
   14   2H5*    C 691          2H5*        C 691  -6.662 -14.177   4.251
   15    H4*    C 691           H4*        C 691  -5.293 -16.370   3.973
   16    H3*    C 691           H3*        C 691  -4.301 -13.539   3.543
   17    H2*    C 691           H2*        C 691  -2.186 -14.328   2.867
   18   2HO*    C 691          2HO*        C 691  -1.508 -15.840   4.220
   19    H1*    C 691           H1*        C 691  -2.996 -16.540   1.439
   20   1H4     C 691          1H4         C 691  -1.913 -11.793  -2.692
   21   2H4     C 691          2H4         C 691  -3.556 -11.231  -2.475
   22    H5     C 691           H5         C 691  -5.072 -12.178  -0.859
   23    H6     C 691           H6         C 691  -5.341 -13.868   0.895
   24   1H5*    G 692          1H5*        G 692  -1.830 -14.471   7.596
   25   2H5*    G 692          2H5*        G 692  -1.837 -12.810   8.222
   26    H4*    G 692           H4*        G 692   0.457 -13.835   7.694
   27    H3*    G 692           H3*        G 692  -0.554 -11.154   6.730
   28    H2*    G 692           H2*        G 692   1.384 -10.798   5.435
   29   2HO*    G 692          2HO*        G 692   2.704 -11.699   7.316
   30    H1*    G 692           H1*        G 692   1.742 -13.335   4.477
   31    H8     G 692           H8         G 692  -1.917 -12.282   4.604
   32    H1     G 692           H1         G 692   1.130 -10.255  -0.618
   33   1H2     G 692          1H2         G 692   3.302 -10.658  -0.433
   34   2H2     G 692          2H2         G 692   4.000 -11.427   0.975
   35   1H5*    A 693          1H5*        A 693   3.455 -10.247   8.354
   36   2H5*    A 693          2H5*        A 693   3.429  -8.561   8.910
   37    H4*    A 693           H4*        A 693   4.965  -9.120   6.915
   38    H3*    A 693           H3*        A 693   2.938  -6.870   7.022
   39    H2*    A 693           H2*        A 693   3.422  -6.257   4.803
   40   2HO*    A 693          2HO*        A 693   5.479  -7.804   4.089
   41    H1*    A 693           H1*        A 693   3.821  -8.776   3.738
   42    H8     A 693           H8         A 693   0.777  -8.578   6.003
   43   1H6     A 693          1H6         A 693  -2.358  -6.538   1.110
   44   2H6     A 693          2H6         A 693  -2.481  -7.076   2.770
   45    H2     A 693           H2         A 693   1.997  -6.708   0.005
   46   1H5*    G 694          1H5*        G 694   7.034  -5.646   5.531
   47   2H5*    G 694          2H5*        G 694   7.341  -3.951   5.957
   48    H4*    G 694           H4*        G 694   7.515  -4.676   3.449
   49    H3*    G 694           H3*        G 694   6.111  -2.228   4.561
   50    H2*    G 694           H2*        G 694   5.393  -1.618   2.401
   51   2HO*    G 694          2HO*        G 694   7.077  -3.585   1.217
   52    H1*    G 694           H1*        G 694   4.879  -4.145   1.407
   53    H8     G 694           H8         G 694   3.465  -3.929   4.865
   54    H1     G 694           H1         G 694  -0.104  -0.802   0.605
   55   1H2     G 694          1H2         G 694   0.991  -0.625  -1.316
   56   2H2     G 694          2H2         G 694   2.599  -1.276  -1.545
   57   1H5*    U 695          1H5*        U 695   8.803  -0.778   1.384
   58   2H5*    U 695          2H5*        U 695   9.318   0.879   1.759
   59    H4*    U 695           H4*        U 695   7.906   0.507  -0.384
   60    H3*    U 695           H3*        U 695   7.363   2.583   1.764
   61    H2*    U 695           H2*        U 695   5.459   3.312   0.605
   62   2HO*    U 695          2HO*        U 695   5.181   2.794  -1.657
   63    H1*    U 695           H1*        U 695   4.716   0.852  -0.539
   64    H3     U 695           H3         U 695   1.169   2.377   1.880
   65    H5     U 695           H5         U 695   3.887   0.929   4.758
   66    H6     U 695           H6         U 695   5.514   0.640   2.982
   67   1H5*    U 696          1H5*        U 696   6.892   4.718  -1.681
   68   2H5*    U 696          2H5*        U 696   8.057   6.056  -1.755
   69    H4*    U 696           H4*        U 696   5.895   7.002  -2.180
   70    H3*    U 696           H3*        U 696   7.040   7.523   0.574
   71    H2*    U 696           H2*        U 696   5.090   8.677   1.235
   72   2HO*    U 696          2HO*        U 696   4.187   9.939  -0.197
   73    H1*    U 696           H1*        U 696   3.223   7.054   0.061
   74    H3     U 696           H3         U 696   2.717   6.166   4.465
   75    H5     U 696           H5         U 696   6.439   4.429   3.522
   76    H6     U 696           H6         U 696   6.256   5.396   1.305
   77   1H5*    G 697          1H5*        G 697   8.465  11.097   2.079
   78   2H5*    G 697          2H5*        G 697   7.091  10.013   2.376
   79    H4*    G 697           H4*        G 697   6.970  12.270   3.540
   80    H3*    G 697           H3*        G 697   4.831  11.112   1.759
   81    H2*    G 697           H2*        G 697   3.537  13.084   1.827
   82   2HO*    G 697          2HO*        G 697   4.981  13.499   4.193
   83    H1*    G 697           H1*        G 697   5.512  14.928   1.601
   84    H8     G 697           H8         G 697   6.568  12.069  -0.562
   85    H1     G 697           H1         G 697   1.860  15.452  -3.214
   86   1H2     G 697          1H2         G 697   0.998  16.849  -1.724
   87   2H2     G 697          2H2         G 697   1.584  16.948  -0.078
   88   1H5*    A 698          1H5*        A 698   2.153  12.071   5.324
   89   2H5*    A 698          2H5*        A 698   0.712  11.132   4.880
   90    H4*    A 698           H4*        A 698   0.818  13.804   4.601
   91    H3*    A 698           H3*        A 698  -0.604  11.675   3.011
   92    H2*    A 698           H2*        A 698  -1.176  13.168   1.279
   93   2HO*    A 698          2HO*        A 698  -1.794  15.101   1.867
   94    H1*    A 698           H1*        A 698   1.131  14.593   1.117
   95    H8     A 698           H8         A 698   2.239  11.097   1.768
   96   1H6     A 698          1H6         A 698   1.112   9.804  -4.148
   97   2H6     A 698          2H6         A 698   1.848   9.228  -2.669
   98    H2     A 698           H2         A 698  -0.649  13.840  -3.242
   99   1H5*    C 699          1H5*        C 699  -3.735  14.405   2.025
  100   2H5*    C 699          2H5*        C 699  -5.110  13.432   2.585
  101    H4*    C 699           H4*        C 699  -4.998  13.874   0.071
  102    H3*    C 699           H3*        C 699  -5.267  11.154   1.357
  103    H2*    C 699           H2*        C 699  -5.135  10.062  -0.723
  104   2HO*    C 699          2HO*        C 699  -5.657  11.042  -2.634
  105    H1*    C 699           H1*        C 699  -3.267  11.665  -1.953
  106   1H4     C 699          1H4         C 699  -0.228   6.532   0.310
  107   2H4     C 699          2H4         C 699  -0.110   7.285   1.885
  108    H5     C 699           H5         C 699  -1.133   9.399   2.416
  109    H6     C 699           H6         C 699  -2.500  11.244   1.558
  110   1H5*    U 700          1H5*        U 700  -7.980   8.048   0.882
  111   2H5*    U 700          2H5*        U 700  -7.953   9.426   2.000
  112    H4*    U 700           H4*        U 700  -5.495   7.923   1.032
  113    H3*    U 700           H3*        U 700  -7.274   7.595   3.451
  114    H2*    U 700           H2*        U 700  -5.432   7.442   4.905
  115   2HO*    U 700          2HO*        U 700  -4.326   5.931   3.426
  116    H1*    U 700           H1*        U 700  -3.774   9.294   3.734
  117    H3     U 700           H3         U 700  -5.446  10.430   7.937
  118    H5     U 700           H5         U 700  -7.899  12.279   5.050
  119    H6     U 700           H6         U 700  -6.803  10.935   3.353
  120   1H5*    A 701          1H5*        A 701  -7.859   6.240  -0.589
  121   2H5*    A 701          2H5*        A 701  -8.278   4.611  -1.155
  122    H4*    A 701           H4*        A 701  -6.706   5.639  -2.714
  123    H3*    A 701           H3*        A 701  -5.773   3.305  -1.032
  124    H2*    A 701           H2*        A 701  -3.586   3.455  -1.890
  125   2HO*    A 701          2HO*        A 701  -4.252   3.623  -4.102
  126    H1*    A 701           H1*        A 701  -3.353   6.190  -2.037
  127    H8     A 701           H8         A 701  -4.950   5.656   1.240
  128   1H6     A 701          1H6         A 701   0.456   3.724   3.472
  129   2H6     A 701          2H6         A 701  -1.169   4.226   3.883
  130    H2     A 701           H2         A 701   0.790   3.929  -1.006
  131   1H5*    C 702          1H5*        C 702  -6.260   1.797  -5.335
  132   2H5*    C 702          2H5*        C 702  -6.182   0.026  -5.420
  133    H4*    C 702           H4*        C 702  -4.004   1.411  -5.844
  134    H3*    C 702           H3*        C 702  -4.303  -1.052  -4.100
  135    H2*    C 702           H2*        C 702  -2.038  -0.919  -3.473
  136   2HO*    C 702          2HO*        C 702  -1.297   1.115  -5.225
  137    H1*    C 702           H1*        C 702  -1.795   1.844  -3.378
  138   1H4     C 702          1H4         C 702  -2.331  -0.483   2.559
  139   2H4     C 702          2H4         C 702  -4.050  -0.162   2.494
  140    H5     C 702           H5         C 702  -5.179   0.574   0.499
  141    H6     C 702           H6         C 702  -4.907   1.167  -1.863
  142   1H5*    U 703          1H5*        U 703  -1.290  -1.694  -7.152
  143   2H5*    U 703          2H5*        U 703  -0.962  -3.377  -7.613
  144    H4*    U 703           H4*        U 703   0.935  -2.065  -6.445
  145    H3*    U 703           H3*        U 703  -0.059  -4.830  -5.721
  146    H2*    U 703           H2*        U 703   1.392  -4.945  -3.868
  147   2HO*    U 703          2HO*        U 703   2.737  -2.565  -4.640
  148    H1*    U 703           H1*        U 703   1.191  -2.352  -2.994
  149    H3     U 703           H3         U 703  -0.712  -5.342  -0.050
  150    H5     U 703           H5         U 703  -3.752  -4.294  -2.776
  151    H6     U 703           H6         U 703  -2.069  -3.175  -4.120
  152   1H5*    C 704          1H5*        C 704   4.317  -5.470  -7.281
  153   2H5*    C 704          2H5*        C 704   4.374  -7.106  -7.966
  154    H4*    C 704           H4*        C 704   5.906  -6.632  -5.955
  155    H3*    C 704           H3*        C 704   3.996  -8.960  -6.237
  156    H2*    C 704           H2*        C 704   4.475  -9.722  -4.058
  157   2HO*    C 704          2HO*        C 704   6.594  -7.860  -3.748
  158    H1*    C 704           H1*        C 704   4.619  -7.311  -2.772
  159   1H4     C 704          1H4         C 704  -1.269  -9.709  -2.055
  160   2H4     C 704          2H4         C 704  -1.793  -8.774  -3.437
  161    H5     C 704           H5         C 704  -0.283  -7.506  -4.821
  162    H6     C 704           H6         C 704   2.055  -6.864  -5.183
  163   1H5*    G 705          1H5*        G 705   8.095 -11.432  -6.359
  164   2H5*    G 705          2H5*        G 705   7.528 -12.809  -7.325
  165    H4*    G 705           H4*        G 705   8.257 -13.243  -4.866
  166    H3*    G 705           H3*        G 705   5.751 -14.241  -6.238
  167    H2*    G 705           H2*        G 705   4.965 -15.218  -4.243
  168   2HO*    G 705          2HO*        G 705   6.307 -15.717  -2.528
  169    H1*    G 705           H1*        G 705   5.750 -13.278  -2.470
  170    H8     G 705           H8         G 705   4.377 -11.687  -5.604
  171    H1     G 705           H1         G 705  -0.201 -13.737  -1.667
  172   1H2     G 705          1H2         G 705   0.683 -14.978  -0.056
  173   2H2     G 705          2H2         G 705   2.399 -15.300   0.048
  174   1H5*    C 706          1H5*        C 706   6.434 -18.191  -4.856
  175   2H5*    C 706          2H5*        C 706   6.767 -19.043  -6.379
  176    H4*    C 706           H4*        C 706   4.871 -20.108  -5.316
  177    H3*    C 706           H3*        C 706   4.237 -18.363  -7.711
  178    H2*    C 706           H2*        C 706   1.969 -18.926  -7.546
  179   2HO*    C 706          2HO*        C 706   2.835 -21.265  -6.850
  180    H1*    C 706           H1*        C 706   1.800 -18.892  -4.785
  181   1H4     C 706          1H4         C 706  -0.444 -13.300  -6.875
  182   2H4     C 706          2H4         C 706   1.188 -12.685  -7.014
  183    H5     C 706           H5         C 706   3.145 -14.038  -6.642
  184    H6     C 706           H6         C 706   3.962 -16.274  -6.056
  185    H3T    C 706           H3T        C 706   4.686 -21.097  -7.121
  Start of MODEL    5
    1   1H5*    G 690          1H5*        G 690 -11.154  -8.879  -1.460
    2   2H5*    G 690          2H5*        G 690 -10.679  -8.752   0.247
    3    H4*    G 690           H4*        G 690 -11.281 -11.022  -0.020
    4    H3*    G 690           H3*        G 690  -8.297 -10.543  -0.117
    5    H2*    G 690           H2*        G 690  -7.862 -12.797  -0.635
    6   2HO*    G 690          2HO*        G 690 -10.009 -13.198   0.910
    7    H1*    G 690           H1*        G 690  -9.973 -13.286  -2.320
    8    H8     G 690           H8         G 690  -8.575  -9.882  -3.089
    9    H1     G 690           H1         G 690  -4.993 -14.588  -5.473
   10   1H2     G 690          1H2         G 690  -5.659 -16.539  -4.652
   11   2H2     G 690          2H2         G 690  -6.983 -16.678  -3.518
   12    H5T    G 690           H5T        G 690  -8.625  -8.535  -0.311
   13   1H5*    C 691          1H5*        C 691  -8.659 -11.956   4.575
   14   2H5*    C 691          2H5*        C 691  -7.352 -10.924   5.191
   15    H4*    C 691           H4*        C 691  -6.995 -13.511   5.137
   16    H3*    C 691           H3*        C 691  -5.061 -11.359   4.242
   17    H2*    C 691           H2*        C 691  -3.515 -12.977   3.502
   18   2HO*    C 691          2HO*        C 691  -4.492 -14.355   5.562
   19    H1*    C 691           H1*        C 691  -5.278 -14.801   2.445
   20   1H4     C 691          1H4         C 691  -2.996 -11.141  -2.276
   21   2H4     C 691          2H4         C 691  -4.356 -10.059  -2.071
   22    H5     C 691           H5         C 691  -5.965 -10.282  -0.291
   23    H6     C 691           H6         C 691  -6.616 -11.588   1.679
   24   1H5*    G 692          1H5*        G 692  -2.440 -12.344   8.359
   25   2H5*    G 692          2H5*        G 692  -2.311 -10.594   8.624
   26    H4*    G 692           H4*        G 692  -0.102 -11.840   8.370
   27    H3*    G 692           H3*        G 692  -0.933  -9.427   6.748
   28    H2*    G 692           H2*        G 692   1.013  -9.541   5.425
   29   2HO*    G 692          2HO*        G 692   2.036 -11.294   7.441
   30    H1*    G 692           H1*        G 692   1.210 -12.257   5.157
   31    H8     G 692           H8         G 692  -2.413 -11.355   4.849
   32    H1     G 692           H1         G 692   0.888  -9.909  -0.410
   33   1H2     G 692          1H2         G 692   3.063 -10.086  -0.012
   34   2H2     G 692          2H2         G 692   3.698 -10.560   1.547
   35   1H5*    A 693          1H5*        A 693   3.001  -8.584   8.561
   36   2H5*    A 693          2H5*        A 693   3.307  -6.845   8.748
   37    H4*    A 693           H4*        A 693   4.808  -8.153   7.098
   38    H3*    A 693           H3*        A 693   3.368  -5.547   6.549
   39    H2*    A 693           H2*        A 693   4.095  -5.541   4.309
   40   2HO*    A 693          2HO*        A 693   5.776  -7.090   3.646
   41    H1*    A 693           H1*        A 693   3.890  -8.229   3.776
   42    H8     A 693           H8         A 693   0.841  -7.249   5.705
   43   1H6     A 693          1H6         A 693  -1.494  -4.971   0.480
   44   2H6     A 693          2H6         A 693  -1.845  -5.410   2.138
   45    H2     A 693           H2         A 693   2.849  -5.896  -0.219
   46   1H5*    G 694          1H5*        G 694   7.793  -4.898   5.544
   47   2H5*    G 694          2H5*        G 694   8.137  -3.185   5.860
   48    H4*    G 694           H4*        G 694   8.521  -4.081   3.455
   49    H3*    G 694           H3*        G 694   7.024  -1.563   4.228
   50    H2*    G 694           H2*        G 694   6.479  -1.136   1.979
   51   2HO*    G 694          2HO*        G 694   8.464  -1.381   1.008
   52    H1*    G 694           H1*        G 694   6.071  -3.737   1.136
   53    H8     G 694           H8         G 694   4.383  -3.240   4.449
   54    H1     G 694           H1         G 694   1.107  -0.639  -0.363
   55   1H2     G 694          1H2         G 694   2.350  -0.615  -2.201
   56   2H2     G 694          2H2         G 694   3.982  -1.241  -2.238
   57   1H5*    U 695          1H5*        U 695  10.110  -0.034   1.187
   58   2H5*    U 695          2H5*        U 695  10.314   1.667   1.653
   59    H4*    U 695           H4*        U 695   9.296   1.137  -0.684
   60    H3*    U 695           H3*        U 695   8.209   3.109   1.350
   61    H2*    U 695           H2*        U 695   6.410   3.621  -0.073
   62   2HO*    U 695          2HO*        U 695   6.543   2.800  -2.355
   63    H1*    U 695           H1*        U 695   6.037   1.091  -1.189
   64    H3     U 695           H3         U 695   2.162   2.011   0.977
   65    H5     U 695           H5         U 695   4.926   1.306   4.080
   66    H6     U 695           H6         U 695   6.677   1.186   2.405
   67   1H5*    U 696          1H5*        U 696   7.954   5.769  -1.952
   68   2H5*    U 696          2H5*        U 696   8.664   7.276  -1.339
   69    H4*    U 696           H4*        U 696   6.178   7.342  -2.001
   70    H3*    U 696           H3*        U 696   7.364   8.315   0.604
   71    H2*    U 696           H2*        U 696   5.242   8.799   1.495
   72   2HO*    U 696          2HO*        U 696   3.416   9.073   0.191
   73    H1*    U 696           H1*        U 696   3.820   6.686   0.459
   74    H3     U 696           H3         U 696   4.125   6.383   5.033
   75    H5     U 696           H5         U 696   7.630   4.585   3.533
   76    H6     U 696           H6         U 696   7.033   5.410   1.331
   77   1H5*    G 697          1H5*        G 697   7.924  11.839   1.980
   78   2H5*    G 697          2H5*        G 697   6.925  10.512   2.606
   79    H4*    G 697           H4*        G 697   6.635  12.787   3.742
   80    H3*    G 697           H3*        G 697   4.430  11.045   2.654
   81    H2*    G 697           H2*        G 697   2.779  12.676   3.038
   82   2HO*    G 697          2HO*        G 697   2.950  13.592   4.943
   83    H1*    G 697           H1*        G 697   4.171  14.925   2.354
   84    H8     G 697           H8         G 697   4.881  11.951   0.075
   85    H1     G 697           H1         G 697  -0.354  15.211  -1.546
   86   1H2     G 697          1H2         G 697  -0.823  16.716   0.014
   87   2H2     G 697          2H2         G 697   0.153  16.915   1.453
   88   1H5*    A 698          1H5*        A 698   1.196   9.948   5.609
   89   2H5*    A 698          2H5*        A 698   0.867   9.390   3.956
   90    H4*    A 698           H4*        A 698   0.347  12.047   5.227
   91    H3*    A 698           H3*        A 698  -1.032  10.165   3.318
   92    H2*    A 698           H2*        A 698  -1.981  11.914   2.065
   93   2HO*    A 698          2HO*        A 698  -1.612  13.325   4.460
   94    H1*    A 698           H1*        A 698   0.103  13.658   2.029
   95    H8     A 698           H8         A 698   2.054  10.668   1.548
   96   1H6     A 698          1H6         A 698  -0.362   9.888  -4.063
   97   2H6     A 698          2H6         A 698   0.913   9.401  -2.969
   98    H2     A 698           H2         A 698  -2.861  12.920  -1.877
   99   1H5*    C 699          1H5*        C 699  -4.454  12.111   4.449
  100   2H5*    C 699          2H5*        C 699  -5.768  10.948   4.714
  101    H4*    C 699           H4*        C 699  -6.102  12.380   2.684
  102    H3*    C 699           H3*        C 699  -5.872   9.366   2.487
  103    H2*    C 699           H2*        C 699  -6.120   9.468   0.148
  104   2HO*    C 699          2HO*        C 699  -7.911  10.791  -0.008
  105    H1*    C 699           H1*        C 699  -4.721  11.819  -0.311
  106   1H4     C 699          1H4         C 699  -0.916   6.935  -1.856
  107   2H4     C 699          2H4         C 699  -0.403   6.807  -0.188
  108    H5     C 699           H5         C 699  -1.368   8.110   1.593
  109    H6     C 699           H6         C 699  -3.029   9.820   2.161
  110   1H5*    U 700          1H5*        U 700  -7.473   7.612   0.559
  111   2H5*    U 700          2H5*        U 700  -8.146   6.239   1.458
  112    H4*    U 700           H4*        U 700  -5.452   6.782   1.182
  113    H3*    U 700           H3*        U 700  -7.063   5.171   3.176
  114    H2*    U 700           H2*        U 700  -5.196   4.918   4.588
  115   2HO*    U 700          2HO*        U 700  -3.628   4.311   3.133
  116    H1*    U 700           H1*        U 700  -4.111   7.421   4.330
  117    H3     U 700           H3         U 700  -5.926   6.483   8.505
  118    H5     U 700           H5         U 700  -8.908   8.454   6.271
  119    H6     U 700           H6         U 700  -7.516   8.191   4.301
  120   1H5*    A 701          1H5*        A 701  -6.941   5.537  -0.919
  121   2H5*    A 701          2H5*        A 701  -7.499   4.302  -2.066
  122    H4*    A 701           H4*        A 701  -5.925   5.537  -3.308
  123    H3*    A 701           H3*        A 701  -4.779   2.994  -2.144
  124    H2*    A 701           H2*        A 701  -2.612   3.518  -2.907
  125   2HO*    A 701          2HO*        A 701  -2.887   5.762  -4.319
  126    H1*    A 701           H1*        A 701  -2.607   6.209  -2.412
  127    H8     A 701           H8         A 701  -4.252   4.881   0.595
  128   1H6     A 701          1H6         A 701   1.190   2.798   2.584
  129   2H6     A 701          2H6         A 701  -0.472   3.118   3.026
  130    H2     A 701           H2         A 701   1.642   3.981  -1.729
  131   1H5*    C 702          1H5*        C 702  -4.623   2.052  -6.628
  132   2H5*    C 702          2H5*        C 702  -4.551   0.283  -6.758
  133    H4*    C 702           H4*        C 702  -2.381   1.672  -7.195
  134    H3*    C 702           H3*        C 702  -2.665  -0.842  -5.530
  135    H2*    C 702           H2*        C 702  -0.399  -0.738  -4.885
  136   2HO*    C 702          2HO*        C 702   0.027   0.023  -7.284
  137    H1*    C 702           H1*        C 702  -0.173   1.978  -4.555
  138   1H4     C 702          1H4         C 702  -1.261  -0.767   1.122
  139   2H4     C 702          2H4         C 702  -2.967  -0.439   0.925
  140    H5     C 702           H5         C 702  -3.914   0.459  -1.103
  141    H6     C 702           H6         C 702  -3.429   1.230  -3.378
  142   1H5*    U 703          1H5*        U 703   0.575  -1.996  -8.669
  143   2H5*    U 703          2H5*        U 703   0.333  -3.744  -8.866
  144    H4*    U 703           H4*        U 703   2.632  -2.937  -7.988
  145    H3*    U 703           H3*        U 703   0.913  -5.127  -6.794
  146    H2*    U 703           H2*        U 703   2.441  -5.439  -5.028
  147   2HO*    U 703          2HO*        U 703   4.529  -3.968  -5.411
  148    H1*    U 703           H1*        U 703   3.141  -2.811  -4.598
  149    H3     U 703           H3         U 703   0.852  -4.330  -0.949
  150    H5     U 703           H5         U 703  -2.122  -3.363  -3.776
  151    H6     U 703           H6         U 703  -0.363  -3.022  -5.413
  152   1H5*    C 704          1H5*        C 704   4.730  -7.229  -8.033
  153   2H5*    C 704          2H5*        C 704   4.411  -8.969  -8.183
  154    H4*    C 704           H4*        C 704   5.896  -8.119  -6.204
  155    H3*    C 704           H3*        C 704   3.622 -10.121  -6.063
  156    H2*    C 704           H2*        C 704   3.879 -10.301  -3.732
  157   2HO*    C 704          2HO*        C 704   5.888  -9.212  -2.803
  158    H1*    C 704           H1*        C 704   4.558  -7.662  -3.184
  159   1H4     C 704          1H4         C 704  -1.552  -8.612  -1.574
  160   2H4     C 704          2H4         C 704  -2.036  -8.164  -3.195
  161    H5     C 704           H5         C 704  -0.465  -7.737  -4.970
  162    H6     C 704           H6         C 704   1.907  -7.655  -5.581
  163   1H5*    G 705          1H5*        G 705   6.868 -14.097  -5.662
  164   2H5*    G 705          2H5*        G 705   5.742 -14.662  -6.914
  165    H4*    G 705           H4*        G 705   5.910 -16.059  -4.747
  166    H3*    G 705           H3*        G 705   3.358 -15.077  -6.051
  167    H2*    G 705           H2*        G 705   2.054 -15.984  -4.313
  168   2HO*    G 705          2HO*        G 705   4.301 -17.643  -3.987
  169    H1*    G 705           H1*        G 705   3.719 -15.428  -2.191
  170    H8     G 705           H8         G 705   3.548 -12.480  -4.538
  171    H1     G 705           H1         G 705  -1.550 -12.900  -0.730
  172   1H2     G 705          1H2         G 705  -1.539 -14.843   0.338
  173   2H2     G 705          2H2         G 705  -0.276 -16.033   0.113
  174   1H5*    C 706          1H5*        C 706   2.735 -18.602  -5.090
  175   2H5*    C 706          2H5*        C 706   2.373 -19.944  -6.195
  176    H4*    C 706           H4*        C 706   0.674 -19.940  -4.486
  177    H3*    C 706           H3*        C 706  -0.205 -18.801  -7.154
  178    H2*    C 706           H2*        C 706  -2.375 -18.514  -6.318
  179   2HO*    C 706          2HO*        C 706  -3.140 -20.058  -5.102
  180    H1*    C 706           H1*        C 706  -1.648 -17.721  -3.758
  181   1H4     C 706          1H4         C 706  -3.204 -12.518  -7.121
  182   2H4     C 706          2H4         C 706  -1.551 -12.395  -7.679
  183    H5     C 706           H5         C 706   0.126 -14.062  -7.217
  184    H6     C 706           H6         C 706   0.582 -16.204  -6.116
  185    H3T    C 706           H3T        C 706  -1.382 -20.935  -6.924
  Start of MODEL    6
    1   1H5*    G 690          1H5*        G 690 -11.114 -10.133  -0.461
    2   2H5*    G 690          2H5*        G 690 -10.494 -10.107   1.202
    3    H4*    G 690           H4*        G 690 -11.031 -12.386   0.730
    4    H3*    G 690           H3*        G 690  -8.087 -11.704   0.668
    5    H2*    G 690           H2*        G 690  -7.508 -13.879  -0.029
    6   2HO*    G 690          2HO*        G 690  -8.611 -15.575   0.630
    7    H1*    G 690           H1*        G 690  -9.568 -14.346  -1.773
    8    H8     G 690           H8         G 690  -8.237 -10.785  -1.968
    9    H1     G 690           H1         G 690  -4.822 -14.960  -5.369
   10   1H2     G 690          1H2         G 690  -5.495 -17.027  -4.928
   11   2H2     G 690          2H2         G 690  -6.784 -17.375  -3.799
   12    H5T    G 690           H5T        G 690  -9.289  -9.374  -1.094
   13   1H5*    C 691          1H5*        C 691  -7.822 -13.948   4.933
   14   2H5*    C 691          2H5*        C 691  -6.825 -12.684   5.682
   15    H4*    C 691           H4*        C 691  -5.774 -15.031   5.407
   16    H3*    C 691           H3*        C 691  -4.517 -12.397   4.592
   17    H2*    C 691           H2*        C 691  -2.641 -13.504   3.702
   18   2HO*    C 691          2HO*        C 691  -2.951 -16.070   4.318
   19    H1*    C 691           H1*        C 691  -3.906 -15.723   2.650
   20   1H4     C 691          1H4         C 691  -2.746 -11.517  -2.029
   21   2H4     C 691          2H4         C 691  -4.365 -10.886  -1.823
   22    H5     C 691           H5         C 691  -5.835 -11.580  -0.046
   23    H6     C 691           H6         C 691  -6.072 -13.027   1.919
   24   1H5*    G 692          1H5*        G 692  -1.719 -13.038   8.625
   25   2H5*    G 692          2H5*        G 692  -1.642 -11.289   8.922
   26    H4*    G 692           H4*        G 692   0.585 -12.515   8.476
   27    H3*    G 692           H3*        G 692  -0.374  -9.983   7.125
   28    H2*    G 692           H2*        G 692   1.507  -9.940   5.708
   29   2HO*    G 692          2HO*        G 692   2.998 -10.391   7.475
   30    H1*    G 692           H1*        G 692   1.742 -12.629   5.209
   31    H8     G 692           H8         G 692  -1.883 -11.544   5.165
   32    H1     G 692           H1         G 692   1.181 -10.216  -0.266
   33   1H2     G 692          1H2         G 692   3.356 -10.565  -0.014
   34   2H2     G 692          2H2         G 692   4.050 -11.125   1.490
   35   1H5*    A 693          1H5*        A 693   3.653  -8.850   8.728
   36   2H5*    A 693          2H5*        A 693   3.654  -7.088   8.944
   37    H4*    A 693           H4*        A 693   5.200  -8.092   7.117
   38    H3*    A 693           H3*        A 693   3.291  -5.761   6.783
   39    H2*    A 693           H2*        A 693   3.851  -5.576   4.506
   40   2HO*    A 693          2HO*        A 693   6.200  -6.927   5.324
   41    H1*    A 693           H1*        A 693   4.162  -8.268   3.927
   42    H8     A 693           H8         A 693   1.028  -7.656   5.938
   43   1H6     A 693          1H6         A 693  -1.762  -6.160   0.656
   44   2H6     A 693          2H6         A 693  -1.996  -6.496   2.357
   45    H2     A 693           H2         A 693   2.642  -6.552  -0.156
   46   1H5*    G 694          1H5*        G 694   7.496  -4.710   5.815
   47   2H5*    G 694          2H5*        G 694   7.885  -2.978   5.859
   48    H4*    G 694           H4*        G 694   8.091  -4.237   3.589
   49    H3*    G 694           H3*        G 694   6.724  -1.574   4.074
   50    H2*    G 694           H2*        G 694   6.070  -1.452   1.816
   51   2HO*    G 694          2HO*        G 694   7.034  -2.914   0.243
   52    H1*    G 694           H1*        G 694   5.528  -4.130   1.391
   53    H8     G 694           H8         G 694   3.973  -3.241   4.648
   54    H1     G 694           H1         G 694   0.722  -0.798  -0.264
   55   1H2     G 694          1H2         G 694   1.917  -0.972  -2.124
   56   2H2     G 694          2H2         G 694   3.512  -1.691  -2.153
   57   1H5*    U 695          1H5*        U 695   9.830  -0.178   0.874
   58   2H5*    U 695          2H5*        U 695  10.090   1.476   1.463
   59    H4*    U 695           H4*        U 695   9.066   1.186  -0.898
   60    H3*    U 695           H3*        U 695   7.976   2.966   1.305
   61    H2*    U 695           H2*        U 695   6.195   3.627  -0.081
   62   2HO*    U 695          2HO*        U 695   7.542   4.109  -1.902
   63    H1*    U 695           H1*        U 695   5.814   1.217  -1.431
   64    H3     U 695           H3         U 695   1.947   2.085   0.798
   65    H5     U 695           H5         U 695   4.622   0.807   3.793
   66    H6     U 695           H6         U 695   6.393   0.839   2.134
   67   1H5*    U 696          1H5*        U 696   8.109   5.971  -1.850
   68   2H5*    U 696          2H5*        U 696   8.691   7.427  -1.017
   69    H4*    U 696           H4*        U 696   6.352   7.614  -1.969
   70    H3*    U 696           H3*        U 696   7.005   8.049   0.957
   71    H2*    U 696           H2*        U 696   4.736   8.434   1.457
   72   2HO*    U 696          2HO*        U 696   3.810   8.425  -1.178
   73    H1*    U 696           H1*        U 696   3.608   6.574  -0.244
   74    H3     U 696           H3         U 696   2.692   5.132   3.964
   75    H5     U 696           H5         U 696   6.775   4.238   3.426
   76    H6     U 696           H6         U 696   6.695   5.439   1.320
   77   1H5*    G 697          1H5*        G 697   7.762  10.856   3.078
   78   2H5*    G 697          2H5*        G 697   6.459   9.674   2.835
   79    H4*    G 697           H4*        G 697   6.145  11.382   4.733
   80    H3*    G 697           H3*        G 697   4.153  10.683   2.581
   81    H2*    G 697           H2*        G 697   2.660  12.386   3.236
   82   2HO*    G 697          2HO*        G 697   3.115  13.551   5.287
   83    H1*    G 697           H1*        G 697   4.433  14.378   3.746
   84    H8     G 697           H8         G 697   5.649  12.380   0.782
   85    H1     G 697           H1         G 697   1.019  16.487  -0.746
   86   1H2     G 697          1H2         G 697   0.121  17.338   1.095
   87   2H2     G 697          2H2         G 697   0.665  16.895   2.696
   88   1H5*    A 698          1H5*        A 698   1.673  10.985   6.069
   89   2H5*    A 698          2H5*        A 698   0.240   9.973   5.796
   90    H4*    A 698           H4*        A 698  -0.089  12.536   5.782
   91    H3*    A 698           H3*        A 698  -1.090  10.582   3.703
   92    H2*    A 698           H2*        A 698  -1.944  12.330   2.372
   93   2HO*    A 698          2HO*        A 698  -1.964  14.547   3.329
   94    H1*    A 698           H1*        A 698   0.069  14.159   2.717
   95    H8     A 698           H8         A 698   1.406  10.627   2.309
   96   1H6     A 698          1H6         A 698   1.077  11.522  -3.774
   97   2H6     A 698          2H6         A 698   1.641  10.453  -2.510
   98    H2     A 698           H2         A 698  -0.924  14.998  -1.744
   99   1H5*    C 699          1H5*        C 699  -4.204  12.924   3.751
  100   2H5*    C 699          2H5*        C 699  -5.724  12.019   3.896
  101    H4*    C 699           H4*        C 699  -5.505  13.279   1.734
  102    H3*    C 699           H3*        C 699  -5.798  10.264   1.800
  103    H2*    C 699           H2*        C 699  -5.646  10.165  -0.530
  104   2HO*    C 699          2HO*        C 699  -6.451  11.722  -1.830
  105    H1*    C 699           H1*        C 699  -4.063  12.490  -0.929
  106   1H4     C 699          1H4         C 699  -0.637   7.378  -2.630
  107   2H4     C 699          2H4         C 699  -0.144   7.169  -0.964
  108    H5     C 699           H5         C 699  -1.032   8.481   0.850
  109    H6     C 699           H6         C 699  -2.577  10.282   1.461
  110   1H5*    U 700          1H5*        U 700  -7.425   8.676  -0.215
  111   2H5*    U 700          2H5*        U 700  -8.311   7.454   0.718
  112    H4*    U 700           H4*        U 700  -5.604   7.470   0.468
  113    H3*    U 700           H3*        U 700  -7.453   6.441   2.623
  114    H2*    U 700           H2*        U 700  -5.678   6.086   4.132
  115   2HO*    U 700          2HO*        U 700  -3.649   5.680   3.489
  116    H1*    U 700           H1*        U 700  -4.197   8.313   3.629
  117    H3     U 700           H3         U 700  -6.337   8.393   7.731
  118    H5     U 700           H5         U 700  -8.910  10.305   4.994
  119    H6     U 700           H6         U 700  -7.474   9.527   3.201
  120   1H5*    A 701          1H5*        A 701  -6.943   6.515  -1.534
  121   2H5*    A 701          2H5*        A 701  -7.595   5.310  -2.663
  122    H4*    A 701           H4*        A 701  -5.712   6.171  -3.792
  123    H3*    A 701           H3*        A 701  -5.104   3.575  -2.348
  124    H2*    A 701           H2*        A 701  -2.844   3.694  -2.994
  125   2HO*    A 701          2HO*        A 701  -2.610   5.748  -4.627
  126    H1*    A 701           H1*        A 701  -2.493   6.432  -2.804
  127    H8     A 701           H8         A 701  -4.226   5.599   0.322
  128   1H6     A 701          1H6         A 701   0.970   3.096   2.478
  129   2H6     A 701          2H6         A 701  -0.637   3.651   2.894
  130    H2     A 701           H2         A 701   1.482   3.784  -1.934
  131   1H5*    C 702          1H5*        C 702  -4.747   2.169  -6.723
  132   2H5*    C 702          2H5*        C 702  -5.074   0.425  -6.664
  133    H4*    C 702           H4*        C 702  -2.642   1.216  -7.158
  134    H3*    C 702           H3*        C 702  -3.491  -0.910  -5.168
  135    H2*    C 702           H2*        C 702  -1.256  -1.223  -4.500
  136   2HO*    C 702          2HO*        C 702  -0.177   0.388  -6.543
  137    H1*    C 702           H1*        C 702  -0.396   1.407  -4.680
  138   1H4     C 702          1H4         C 702  -1.486  -0.032   1.451
  139   2H4     C 702          2H4         C 702  -3.136   0.517   1.272
  140    H5     C 702           H5         C 702  -4.086   1.177  -0.842
  141    H6     C 702           H6         C 702  -3.659   1.447  -3.242
  142   1H5*    U 703          1H5*        U 703  -0.478  -2.251  -8.037
  143   2H5*    U 703          2H5*        U 703  -0.371  -4.001  -8.311
  144    H4*    U 703           H4*        U 703   1.707  -2.795  -7.333
  145    H3*    U 703           H3*        U 703   0.438  -5.343  -6.294
  146    H2*    U 703           H2*        U 703   1.968  -5.438  -4.504
  147   2HO*    U 703          2HO*        U 703   3.550  -3.295  -5.394
  148    H1*    U 703           H1*        U 703   2.101  -2.754  -3.917
  149    H3     U 703           H3         U 703   0.081  -4.997  -0.472
  150    H5     U 703           H5         U 703  -2.973  -4.308  -3.294
  151    H6     U 703           H6         U 703  -1.277  -3.530  -4.844
  152   1H5*    C 704          1H5*        C 704   4.578  -7.010  -7.879
  153   2H5*    C 704          2H5*        C 704   4.149  -8.678  -8.310
  154    H4*    C 704           H4*        C 704   5.870  -8.328  -6.405
  155    H3*    C 704           H3*        C 704   3.431 -10.125  -6.320
  156    H2*    C 704           H2*        C 704   3.889 -10.718  -4.087
  157   2HO*    C 704          2HO*        C 704   6.306  -9.485  -3.714
  158    H1*    C 704           H1*        C 704   4.811  -8.275  -3.181
  159   1H4     C 704          1H4         C 704  -1.269  -8.933  -1.343
  160   2H4     C 704          2H4         C 704  -1.795  -8.225  -2.854
  161    H5     C 704           H5         C 704  -0.288  -7.684  -4.654
  162    H6     C 704           H6         C 704   2.049  -7.701  -5.393
  163   1H5*    G 705          1H5*        G 705   6.498 -13.829  -7.182
  164   2H5*    G 705          2H5*        G 705   5.239 -14.773  -8.004
  165    H4*    G 705           H4*        G 705   6.166 -15.634  -5.719
  166    H3*    G 705           H3*        G 705   3.271 -15.455  -6.590
  167    H2*    G 705           H2*        G 705   2.527 -16.186  -4.478
  168   2HO*    G 705          2HO*        G 705   5.068 -17.347  -4.411
  169    H1*    G 705           H1*        G 705   4.371 -14.887  -2.896
  170    H8     G 705           H8         G 705   3.047 -12.699  -5.703
  171    H1     G 705           H1         G 705  -0.835 -12.938  -0.649
  172   1H2     G 705          1H2         G 705  -0.135 -14.489   0.773
  173   2H2     G 705          2H2         G 705   1.287 -15.464   0.474
  174   1H5*    C 706          1H5*        C 706   2.973 -18.891  -4.981
  175   2H5*    C 706          2H5*        C 706   2.744 -20.233  -6.120
  176    H4*    C 706           H4*        C 706   0.975 -20.440  -4.539
  177    H3*    C 706           H3*        C 706   0.106 -19.075  -7.102
  178    H2*    C 706           H2*        C 706  -2.088 -18.938  -6.292
  179   2HO*    C 706          2HO*        C 706  -2.863 -20.547  -5.170
  180    H1*    C 706           H1*        C 706  -1.442 -18.363  -3.656
  181   1H4     C 706          1H4         C 706  -3.033 -12.882  -6.510
  182   2H4     C 706          2H4         C 706  -1.402 -12.723  -7.125
  183    H5     C 706           H5         C 706   0.279 -14.427  -6.859
  184    H6     C 706           H6         C 706   0.764 -16.649  -5.945
  185    H3T    C 706           H3T        C 706  -1.035 -21.430  -6.564
  Start of MODEL    7
    1   1H5*    G 690          1H5*        G 690 -10.697 -10.098  -2.764
    2   2H5*    G 690          2H5*        G 690 -10.509  -9.568  -1.080
    3    H4*    G 690           H4*        G 690 -10.768 -11.939  -0.996
    4    H3*    G 690           H3*        G 690  -7.942 -10.933  -0.619
    5    H2*    G 690           H2*        G 690  -7.080 -13.126  -0.540
    6   2HO*    G 690          2HO*        G 690  -9.793 -13.902  -0.098
    7    H1*    G 690           H1*        G 690  -8.608 -14.269  -2.496
    8    H8     G 690           H8         G 690  -7.597 -10.749  -3.460
    9    H1     G 690           H1         G 690  -2.992 -15.037  -4.490
   10   1H2     G 690          1H2         G 690  -3.548 -16.982  -3.583
   11   2H2     G 690          2H2         G 690  -5.055 -17.221  -2.725
   12    H5T    G 690           H5T        G 690  -8.411  -9.181  -1.408
   13   1H5*    C 691          1H5*        C 691  -8.672 -11.981   4.026
   14   2H5*    C 691          2H5*        C 691  -7.633 -10.692   4.667
   15    H4*    C 691           H4*        C 691  -6.875 -13.158   4.985
   16    H3*    C 691           H3*        C 691  -5.197 -10.834   4.013
   17    H2*    C 691           H2*        C 691  -3.343 -12.244   3.628
   18   2HO*    C 691          2HO*        C 691  -3.122 -14.239   4.583
   19    H1*    C 691           H1*        C 691  -4.652 -14.393   2.567
   20   1H4     C 691          1H4         C 691  -2.716 -10.740  -2.300
   21   2H4     C 691          2H4         C 691  -4.165  -9.769  -2.154
   22    H5     C 691           H5         C 691  -5.781 -10.065  -0.394
   23    H6     C 691           H6         C 691  -6.359 -11.354   1.609
   24   1H5*    G 692          1H5*        G 692  -3.282 -11.080   8.369
   25   2H5*    G 692          2H5*        G 692  -2.786  -9.382   8.523
   26    H4*    G 692           H4*        G 692  -0.947 -11.209   8.200
   27    H3*    G 692           H3*        G 692  -1.172  -8.534   6.805
   28    H2*    G 692           H2*        G 692   0.677  -9.012   5.429
   29   2HO*    G 692          2HO*        G 692   2.052 -10.872   5.946
   30    H1*    G 692           H1*        G 692   0.217 -11.686   4.983
   31    H8     G 692           H8         G 692  -3.069  -9.925   4.705
   32    H1     G 692           H1         G 692   0.613  -8.959  -0.411
   33   1H2     G 692          1H2         G 692   2.675  -9.665  -0.005
   34   2H2     G 692          2H2         G 692   3.142 -10.374   1.525
   35   1H5*    A 693          1H5*        A 693   3.015  -8.504   8.546
   36   2H5*    A 693          2H5*        A 693   3.406  -6.801   8.857
   37    H4*    A 693           H4*        A 693   4.841  -8.053   7.111
   38    H3*    A 693           H3*        A 693   3.515  -5.355   6.738
   39    H2*    A 693           H2*        A 693   4.264  -5.232   4.509
   40   2HO*    A 693          2HO*        A 693   6.177  -5.978   3.990
   41    H1*    A 693           H1*        A 693   3.967  -7.881   3.808
   42    H8     A 693           H8         A 693   0.973  -6.710   5.780
   43   1H6     A 693          1H6         A 693  -1.230  -4.320   0.550
   44   2H6     A 693          2H6         A 693  -1.592  -4.698   2.218
   45    H2     A 693           H2         A 693   3.009  -5.622  -0.188
   46   1H5*    G 694          1H5*        G 694   7.909  -4.775   5.555
   47   2H5*    G 694          2H5*        G 694   8.257  -3.085   5.973
   48    H4*    G 694           H4*        G 694   8.549  -3.746   3.509
   49    H3*    G 694           H3*        G 694   6.887  -1.409   4.497
   50    H2*    G 694           H2*        G 694   6.267  -0.879   2.291
   51   2HO*    G 694          2HO*        G 694   7.781  -2.562   0.810
   52    H1*    G 694           H1*        G 694   6.116  -3.463   1.271
   53    H8     G 694           H8         G 694   4.404  -2.904   4.633
   54    H1     G 694           H1         G 694   0.765  -1.374  -0.374
   55   1H2     G 694          1H2         G 694   1.968  -1.446  -2.236
   56   2H2     G 694          2H2         G 694   3.665  -1.873  -2.243
   57   1H5*    U 695          1H5*        U 695   9.711  -0.035   1.456
   58   2H5*    U 695          2H5*        U 695  10.205   1.652   1.710
   59    H4*    U 695           H4*        U 695   8.984   1.063  -0.502
   60    H3*    U 695           H3*        U 695   8.318   3.360   1.363
   61    H2*    U 695           H2*        U 695   6.511   3.994  -0.007
   62   2HO*    U 695          2HO*        U 695   7.775   2.395  -2.009
   63    H1*    U 695           H1*        U 695   5.662   1.471  -0.775
   64    H3     U 695           H3         U 695   2.380   3.538   1.658
   65    H5     U 695           H5         U 695   5.042   1.942   4.511
   66    H6     U 695           H6         U 695   6.562   1.407   2.697
   67   1H5*    U 696          1H5*        U 696   8.000   5.384  -2.059
   68   2H5*    U 696          2H5*        U 696   8.405   7.086  -1.755
   69    H4*    U 696           H4*        U 696   5.912   6.514  -2.052
   70    H3*    U 696           H3*        U 696   7.085   8.070   0.275
   71    H2*    U 696           H2*        U 696   4.960   8.260   1.255
   72   2HO*    U 696          2HO*        U 696   3.051   8.057   0.053
   73    H1*    U 696           H1*        U 696   3.901   5.805   0.425
   74    H3     U 696           H3         U 696   3.830   5.965   4.989
   75    H5     U 696           H5         U 696   7.817   5.034   3.990
   76    H6     U 696           H6         U 696   7.263   5.450   1.665
   77   1H5*    G 697          1H5*        G 697   7.701  11.403   1.150
   78   2H5*    G 697          2H5*        G 697   6.871   9.982   1.814
   79    H4*    G 697           H4*        G 697   6.626  12.020   3.241
   80    H3*    G 697           H3*        G 697   4.276  10.553   2.053
   81    H2*    G 697           H2*        G 697   2.731  12.163   2.802
   82   2HO*    G 697          2HO*        G 697   3.015  13.000   4.721
   83    H1*    G 697           H1*        G 697   4.170  14.436   2.352
   84    H8     G 697           H8         G 697   4.667  11.856  -0.398
   85    H1     G 697           H1         G 697  -0.621  15.342  -1.127
   86   1H2     G 697          1H2         G 697  -0.975  16.574   0.683
   87   2H2     G 697          2H2         G 697   0.093  16.536   2.068
   88   1H5*    A 698          1H5*        A 698   0.871   9.652   5.919
   89   2H5*    A 698          2H5*        A 698   1.205   9.419   4.192
   90    H4*    A 698           H4*        A 698   0.463  12.019   5.574
   91    H3*    A 698           H3*        A 698  -1.002  10.044   3.828
   92    H2*    A 698           H2*        A 698  -1.974  11.749   2.527
   93   2HO*    A 698          2HO*        A 698  -1.049  13.723   4.367
   94    H1*    A 698           H1*        A 698   0.150  13.455   2.356
   95    H8     A 698           H8         A 698   1.730  10.138   1.982
   96   1H6     A 698          1H6         A 698  -0.500   9.824  -3.750
   97   2H6     A 698          2H6         A 698   0.608   9.109  -2.600
   98    H2     A 698           H2         A 698  -2.507  13.260  -1.660
   99   1H5*    C 699          1H5*        C 699  -4.173  12.260   3.632
  100   2H5*    C 699          2H5*        C 699  -5.519  11.139   3.921
  101    H4*    C 699           H4*        C 699  -5.217  11.989   1.512
  102    H3*    C 699           H3*        C 699  -5.461   9.086   2.330
  103    H2*    C 699           H2*        C 699  -4.997   8.367   0.172
  104   2HO*    C 699          2HO*        C 699  -6.170  10.835  -0.659
  105    H1*    C 699           H1*        C 699  -3.744  10.793  -0.787
  106   1H4     C 699          1H4         C 699   0.294   5.937  -1.719
  107   2H4     C 699          2H4         C 699   0.799   6.048  -0.048
  108    H5     C 699           H5         C 699  -0.252   7.508   1.554
  109    H6     C 699           H6         C 699  -2.006   9.185   1.898
  110   1H5*    U 700          1H5*        U 700  -7.870   6.021   1.333
  111   2H5*    U 700          2H5*        U 700  -7.941   7.259   2.601
  112    H4*    U 700           H4*        U 700  -5.330   6.277   1.408
  113    H3*    U 700           H3*        U 700  -7.030   5.113   3.623
  114    H2*    U 700           H2*        U 700  -5.160   4.855   5.022
  115   2HO*    U 700          2HO*        U 700  -3.216   4.395   4.249
  116    H1*    U 700           H1*        U 700  -3.755   7.127   4.308
  117    H3     U 700           H3         U 700  -5.199   7.023   8.721
  118    H5     U 700           H5         U 700  -8.152   9.051   6.498
  119    H6     U 700           H6         U 700  -7.026   8.331   4.472
  120   1H5*    A 701          1H5*        A 701  -7.343   4.949  -0.692
  121   2H5*    A 701          2H5*        A 701  -7.577   3.514  -1.711
  122    H4*    A 701           H4*        A 701  -6.096   5.104  -2.836
  123    H3*    A 701           H3*        A 701  -4.976   2.464  -1.878
  124    H2*    A 701           H2*        A 701  -2.795   3.046  -2.549
  125   2HO*    A 701          2HO*        A 701  -4.145   4.424  -4.444
  126    H1*    A 701           H1*        A 701  -2.803   5.693  -1.842
  127    H8     A 701           H8         A 701  -4.458   4.136   1.041
  128   1H6     A 701          1H6         A 701   0.970   1.877   2.871
  129   2H6     A 701          2H6         A 701  -0.691   2.171   3.335
  130    H2     A 701           H2         A 701   1.436   3.385  -1.337
  131   1H5*    C 702          1H5*        C 702  -4.896   1.748  -6.450
  132   2H5*    C 702          2H5*        C 702  -4.870  -0.020  -6.620
  133    H4*    C 702           H4*        C 702  -2.662   1.317  -7.020
  134    H3*    C 702           H3*        C 702  -3.018  -1.217  -5.399
  135    H2*    C 702           H2*        C 702  -0.751  -1.186  -4.753
  136   2HO*    C 702          2HO*        C 702   0.688   0.425  -5.845
  137    H1*    C 702           H1*        C 702  -0.451   1.521  -4.387
  138   1H4     C 702          1H4         C 702  -1.566  -1.223   1.281
  139   2H4     C 702          2H4         C 702  -3.274  -0.905   1.076
  140    H5     C 702           H5         C 702  -4.216  -0.011  -0.954
  141    H6     C 702           H6         C 702  -3.726   0.767  -3.226
  142   1H5*    U 703          1H5*        U 703   0.059  -2.135  -8.660
  143   2H5*    U 703          2H5*        U 703   0.101  -3.891  -8.919
  144    H4*    U 703           H4*        U 703   2.243  -2.742  -8.012
  145    H3*    U 703           H3*        U 703   0.925  -5.242  -6.919
  146    H2*    U 703           H2*        U 703   2.507  -5.374  -5.173
  147   2HO*    U 703          2HO*        U 703   4.348  -4.986  -6.529
  148    H1*    U 703           H1*        U 703   2.704  -2.703  -4.583
  149    H3     U 703           H3         U 703   0.628  -4.805  -1.099
  150    H5     U 703           H5         U 703  -2.399  -4.222  -3.974
  151    H6     U 703           H6         U 703  -0.689  -3.481  -5.528
  152   1H5*    C 704          1H5*        C 704   4.962  -6.867  -7.993
  153   2H5*    C 704          2H5*        C 704   4.738  -8.611  -8.230
  154    H4*    C 704           H4*        C 704   6.028  -7.788  -6.115
  155    H3*    C 704           H3*        C 704   3.824  -9.869  -6.213
  156    H2*    C 704           H2*        C 704   3.921 -10.127  -3.876
  157   2HO*    C 704          2HO*        C 704   5.791 -10.076  -2.887
  158    H1*    C 704           H1*        C 704   4.444  -7.488  -3.191
  159   1H4     C 704          1H4         C 704  -1.737  -8.669  -2.106
  160   2H4     C 704          2H4         C 704  -2.103  -8.245  -3.763
  161    H5     C 704           H5         C 704  -0.410  -7.756  -5.404
  162    H6     C 704           H6         C 704   1.999  -7.571  -5.815
  163   1H5*    G 705          1H5*        G 705   7.221 -13.360  -5.812
  164   2H5*    G 705          2H5*        G 705   6.298 -14.369  -6.942
  165    H4*    G 705           H4*        G 705   6.572 -15.236  -4.526
  166    H3*    G 705           H3*        G 705   3.971 -15.037  -6.066
  167    H2*    G 705           H2*        G 705   2.752 -15.813  -4.205
  168   2HO*    G 705          2HO*        G 705   4.249 -17.573  -3.788
  169    H1*    G 705           H1*        G 705   4.170 -14.545  -2.209
  170    H8     G 705           H8         G 705   3.515 -12.290  -5.188
  171    H1     G 705           H1         G 705  -1.446 -12.693  -1.202
  172   1H2     G 705          1H2         G 705  -1.083 -14.281   0.302
  173   2H2     G 705          2H2         G 705   0.380 -15.240   0.322
  174   1H5*    C 706          1H5*        C 706   4.342 -19.740  -5.940
  175   2H5*    C 706          2H5*        C 706   3.561 -20.163  -7.478
  176    H4*    C 706           H4*        C 706   2.402 -20.941  -5.306
  177    H3*    C 706           H3*        C 706   1.081 -19.410  -7.557
  178    H2*    C 706           H2*        C 706  -0.976 -19.436  -6.428
  179   2HO*    C 706          2HO*        C 706  -0.285 -21.780  -5.631
  180    H1*    C 706           H1*        C 706  -0.015 -18.910  -3.918
  181   1H4     C 706          1H4         C 706  -1.775 -13.371  -6.576
  182   2H4     C 706          2H4         C 706  -0.158 -13.177  -7.216
  183    H5     C 706           H5         C 706   1.543 -14.872  -7.040
  184    H6     C 706           H6         C 706   2.064 -17.121  -6.216
  185    H3T    C 706           H3T        C 706   1.839 -21.730  -7.557
  Start of MODEL    8
    1   1H5*    G 690          1H5*        G 690 -11.486  -9.793  -2.039
    2   2H5*    G 690          2H5*        G 690 -10.558  -9.157  -0.665
    3    H4*    G 690           H4*        G 690 -11.236 -11.568  -0.416
    4    H3*    G 690           H3*        G 690  -8.364 -10.632  -0.341
    5    H2*    G 690           H2*        G 690  -7.557 -12.839  -0.163
    6   2HO*    G 690          2HO*        G 690  -9.415 -13.275   1.422
    7    H1*    G 690           H1*        G 690  -9.279 -14.079  -1.889
    8    H8     G 690           H8         G 690  -8.168 -10.650  -3.114
    9    H1     G 690           H1         G 690  -3.997 -15.286  -4.438
   10   1H2     G 690          1H2         G 690  -4.594 -17.161  -3.415
   11   2H2     G 690          2H2         G 690  -6.019 -17.268  -2.406
   12    H5T    G 690           H5T        G 690  -9.857  -8.906  -3.064
   13   1H5*    C 691          1H5*        C 691  -8.835 -11.254   4.368
   14   2H5*    C 691          2H5*        C 691  -7.649 -10.043   4.896
   15    H4*    C 691           H4*        C 691  -7.059 -12.577   5.139
   16    H3*    C 691           H3*        C 691  -5.299 -10.357   4.073
   17    H2*    C 691           H2*        C 691  -3.585 -11.885   3.534
   18   2HO*    C 691          2HO*        C 691  -3.914 -14.184   4.312
   19    H1*    C 691           H1*        C 691  -5.126 -13.948   2.596
   20   1H4     C 691          1H4         C 691  -3.135 -10.457  -2.377
   21   2H4     C 691          2H4         C 691  -4.599  -9.503  -2.272
   22    H5     C 691           H5         C 691  -6.207  -9.746  -0.499
   23    H6     C 691           H6         C 691  -6.766 -10.955   1.559
   24   1H5*    G 692          1H5*        G 692  -3.073 -11.151   8.271
   25   2H5*    G 692          2H5*        G 692  -2.319  -9.559   8.500
   26    H4*    G 692           H4*        G 692  -0.779 -11.623   8.093
   27    H3*    G 692           H3*        G 692  -0.599  -8.899   6.784
   28    H2*    G 692           H2*        G 692   1.173  -9.609   5.398
   29   2HO*    G 692          2HO*        G 692   2.604 -11.023   6.085
   30    H1*    G 692           H1*        G 692   0.276 -12.128   4.812
   31    H8     G 692           H8         G 692  -2.705  -9.872   4.726
   32    H1     G 692           H1         G 692   1.007  -9.132  -0.405
   33   1H2     G 692          1H2         G 692   2.941 -10.170  -0.100
   34   2H2     G 692          2H2         G 692   3.317 -11.045   1.368
   35   1H5*    A 693          1H5*        A 693   3.602  -8.811   8.630
   36   2H5*    A 693          2H5*        A 693   3.794  -7.060   8.848
   37    H4*    A 693           H4*        A 693   5.279  -8.264   7.076
   38    H3*    A 693           H3*        A 693   3.717  -5.692   6.695
   39    H2*    A 693           H2*        A 693   4.423  -5.563   4.452
   40   2HO*    A 693          2HO*        A 693   6.343  -7.613   4.990
   41    H1*    A 693           H1*        A 693   4.357  -8.262   3.842
   42    H8     A 693           H8         A 693   1.249  -7.297   5.729
   43   1H6     A 693          1H6         A 693  -1.056  -5.216   0.411
   44   2H6     A 693          2H6         A 693  -1.416  -5.594   2.081
   45    H2     A 693           H2         A 693   3.295  -6.148  -0.226
   46   1H5*    G 694          1H5*        G 694   8.129  -4.783   5.688
   47   2H5*    G 694          2H5*        G 694   8.342  -3.044   5.972
   48    H4*    G 694           H4*        G 694   8.744  -3.975   3.569
   49    H3*    G 694           H3*        G 694   7.129  -1.523   4.329
   50    H2*    G 694           H2*        G 694   6.559  -1.159   2.073
   51   2HO*    G 694          2HO*        G 694   7.832  -2.804   0.557
   52    H1*    G 694           H1*        G 694   6.286  -3.799   1.281
   53    H8     G 694           H8         G 694   4.577  -3.235   4.589
   54    H1     G 694           H1         G 694   1.143  -1.107  -0.346
   55   1H2     G 694          1H2         G 694   2.375  -1.123  -2.190
   56   2H2     G 694          2H2         G 694   4.041  -1.659  -2.203
   57   1H5*    U 695          1H5*        U 695   9.186  -0.457   0.942
   58   2H5*    U 695          2H5*        U 695   9.999   1.108   1.141
   59    H4*    U 695           H4*        U 695   8.359   0.939  -0.812
   60    H3*    U 695           H3*        U 695   8.224   3.066   1.349
   61    H2*    U 695           H2*        U 695   6.321   4.003   0.338
   62   2HO*    U 695          2HO*        U 695   6.665   2.443  -2.011
   63    H1*    U 695           H1*        U 695   5.158   1.649  -0.608
   64    H3     U 695           H3         U 695   2.369   3.830   2.324
   65    H5     U 695           H5         U 695   4.977   1.536   4.712
   66    H6     U 695           H6         U 695   6.280   1.065   2.720
   67   1H5*    U 696          1H5*        U 696   7.632   5.468  -1.947
   68   2H5*    U 696          2H5*        U 696   8.303   7.063  -1.554
   69    H4*    U 696           H4*        U 696   5.741   6.880  -1.662
   70    H3*    U 696           H3*        U 696   7.311   8.028   0.665
   71    H2*    U 696           H2*        U 696   5.332   8.399   1.865
   72   2HO*    U 696          2HO*        U 696   3.978   8.190  -0.647
   73    H1*    U 696           H1*        U 696   3.835   6.235   0.885
   74    H3     U 696           H3         U 696   3.972   5.691   5.390
   75    H5     U 696           H5         U 696   7.879   4.755   4.113
   76    H6     U 696           H6         U 696   7.256   5.489   1.885
   77   1H5*    G 697          1H5*        G 697   7.788  11.963   1.700
   78   2H5*    G 697          2H5*        G 697   6.889  10.565   2.324
   79    H4*    G 697           H4*        G 697   6.384  12.792   3.450
   80    H3*    G 697           H3*        G 697   4.349  10.910   2.273
   81    H2*    G 697           H2*        G 697   2.570  12.421   2.563
   82   2HO*    G 697          2HO*        G 697   4.329  13.847   4.313
   83    H1*    G 697           H1*        G 697   3.809  14.750   1.895
   84    H8     G 697           H8         G 697   4.797  11.646  -0.141
   85    H1     G 697           H1         G 697  -0.218  14.809  -2.485
   86   1H2     G 697          1H2         G 697  -0.819  16.421  -1.086
   87   2H2     G 697          2H2         G 697   0.016  16.716   0.422
   88   1H5*    A 698          1H5*        A 698   0.645  10.058   5.862
   89   2H5*    A 698          2H5*        A 698   1.199   9.784   4.198
   90    H4*    A 698           H4*        A 698   0.120  12.393   5.321
   91    H3*    A 698           H3*        A 698  -1.083  10.154   3.696
   92    H2*    A 698           H2*        A 698  -2.115  11.655   2.201
   93   2HO*    A 698          2HO*        A 698  -2.168  13.963   2.736
   94    H1*    A 698           H1*        A 698  -0.122  13.501   1.970
   95    H8     A 698           H8         A 698   1.737  10.313   1.981
   96   1H6     A 698          1H6         A 698  -0.176   9.271  -3.778
   97   2H6     A 698          2H6         A 698   0.927   8.763  -2.519
   98    H2     A 698           H2         A 698  -2.557  12.703  -2.118
   99   1H5*    C 699          1H5*        C 699  -4.799  11.998   4.445
  100   2H5*    C 699          2H5*        C 699  -5.965  10.671   4.621
  101    H4*    C 699           H4*        C 699  -6.132  12.059   2.474
  102    H3*    C 699           H3*        C 699  -5.913   9.044   2.587
  103    H2*    C 699           H2*        C 699  -5.874   8.901   0.242
  104   2HO*    C 699          2HO*        C 699  -7.031  10.217  -0.967
  105    H1*    C 699           H1*        C 699  -4.465  11.231  -0.311
  106   1H4     C 699          1H4         C 699  -0.470   6.310  -1.013
  107   2H4     C 699          2H4         C 699  -0.113   6.356   0.699
  108    H5     C 699           H5         C 699  -1.263   7.798   2.249
  109    H6     C 699           H6         C 699  -2.997   9.514   2.490
  110   1H5*    U 700          1H5*        U 700  -7.428   7.174   0.429
  111   2H5*    U 700          2H5*        U 700  -8.138   5.858   1.384
  112    H4*    U 700           H4*        U 700  -5.454   6.258   1.130
  113    H3*    U 700           H3*        U 700  -7.148   4.963   3.264
  114    H2*    U 700           H2*        U 700  -5.378   4.887   4.808
  115   2HO*    U 700          2HO*        U 700  -3.516   5.628   2.781
  116    H1*    U 700           H1*        U 700  -4.194   7.289   4.294
  117    H3     U 700           H3         U 700  -6.327   7.144   8.393
  118    H5     U 700           H5         U 700  -9.149   8.611   5.626
  119    H6     U 700           H6         U 700  -7.610   8.021   3.845
  120   1H5*    A 701          1H5*        A 701  -6.951   5.142  -0.631
  121   2H5*    A 701          2H5*        A 701  -7.432   3.930  -1.836
  122    H4*    A 701           H4*        A 701  -5.851   5.306  -2.949
  123    H3*    A 701           H3*        A 701  -4.718   2.681  -1.958
  124    H2*    A 701           H2*        A 701  -2.548   3.265  -2.679
  125   2HO*    A 701          2HO*        A 701  -2.749   4.060  -4.685
  126    H1*    A 701           H1*        A 701  -2.557   5.908  -1.967
  127    H8     A 701           H8         A 701  -4.206   4.331   0.916
  128   1H6     A 701          1H6         A 701   1.237   2.102   2.738
  129   2H6     A 701          2H6         A 701  -0.426   2.381   3.200
  130    H2     A 701           H2         A 701   1.695   3.639  -1.462
  131   1H5*    C 702          1H5*        C 702  -4.466   2.020  -6.483
  132   2H5*    C 702          2H5*        C 702  -4.515   0.261  -6.715
  133    H4*    C 702           H4*        C 702  -2.260   1.467  -7.119
  134    H3*    C 702           H3*        C 702  -2.704  -1.021  -5.451
  135    H2*    C 702           H2*        C 702  -0.435  -1.068  -4.811
  136   2HO*    C 702          2HO*        C 702  -0.109   0.502  -7.137
  137    H1*    C 702           H1*        C 702  -0.018   1.631  -4.507
  138   1H4     C 702          1H4         C 702  -1.199  -0.886   1.246
  139   2H4     C 702          2H4         C 702  -2.904  -0.565   1.022
  140    H5     C 702           H5         C 702  -3.832   0.258  -1.043
  141    H6     C 702           H6         C 702  -3.327   0.959  -3.336
  142   1H5*    U 703          1H5*        U 703   0.366  -1.985  -8.531
  143   2H5*    U 703          2H5*        U 703   0.474  -3.733  -8.820
  144    H4*    U 703           H4*        U 703   2.506  -2.539  -7.724
  145    H3*    U 703           H3*        U 703   1.196  -5.113  -6.814
  146    H2*    U 703           H2*        U 703   2.631  -5.251  -4.950
  147   2HO*    U 703          2HO*        U 703   4.343  -3.229  -5.230
  148    H1*    U 703           H1*        U 703   2.740  -2.581  -4.296
  149    H3     U 703           H3         U 703   0.563  -4.904  -1.002
  150    H5     U 703           H5         U 703  -2.359  -4.136  -3.941
  151    H6     U 703           H6         U 703  -0.592  -3.327  -5.393
  152   1H5*    C 704          1H5*        C 704   5.367  -6.973  -7.895
  153   2H5*    C 704          2H5*        C 704   4.816  -8.580  -8.410
  154    H4*    C 704           H4*        C 704   6.301  -8.420  -6.285
  155    H3*    C 704           H3*        C 704   3.704  -9.959  -6.563
  156    H2*    C 704           H2*        C 704   3.800 -10.613  -4.305
  157   2HO*    C 704          2HO*        C 704   6.440 -10.604  -4.793
  158    H1*    C 704           H1*        C 704   4.884  -8.295  -3.239
  159   1H4     C 704          1H4         C 704  -1.382  -8.301  -2.034
  160   2H4     C 704          2H4         C 704  -1.688  -7.597  -3.606
  161    H5     C 704           H5         C 704   0.037  -7.245  -5.253
  162    H6     C 704           H6         C 704   2.425  -7.494  -5.748
  163   1H5*    G 705          1H5*        G 705   6.649 -13.535  -5.831
  164   2H5*    G 705          2H5*        G 705   5.938 -14.765  -6.896
  165    H4*    G 705           H4*        G 705   6.015 -15.410  -4.453
  166    H3*    G 705           H3*        G 705   3.449 -15.307  -6.063
  167    H2*    G 705           H2*        G 705   2.185 -15.912  -4.176
  168   2HO*    G 705          2HO*        G 705   4.522 -16.562  -2.697
  169    H1*    G 705           H1*        G 705   3.632 -14.559  -2.238
  170    H8     G 705           H8         G 705   2.860 -12.599  -5.422
  171    H1     G 705           H1         G 705  -1.817 -12.405  -1.092
  172   1H2     G 705          1H2         G 705  -1.373 -13.808   0.568
  173   2H2     G 705          2H2         G 705   0.075 -14.790   0.606
  174   1H5*    C 706          1H5*        C 706   3.540 -19.312  -4.594
  175   2H5*    C 706          2H5*        C 706   3.276 -20.515  -5.874
  176    H4*    C 706           H4*        C 706   1.620 -20.810  -4.094
  177    H3*    C 706           H3*        C 706   0.652 -19.716  -6.749
  178    H2*    C 706           H2*        C 706  -1.555 -19.703  -5.958
  179   2HO*    C 706          2HO*        C 706  -2.074 -21.433  -4.843
  180    H1*    C 706           H1*        C 706  -1.001 -18.822  -3.402
  181   1H4     C 706          1H4         C 706  -2.807 -13.755  -6.835
  182   2H4     C 706          2H4         C 706  -1.173 -13.571  -7.433
  183    H5     C 706           H5         C 706   0.591 -15.140  -6.959
  184    H6     C 706           H6         C 706   1.170 -17.227  -5.812
  185    H3T    C 706           H3T        C 706   0.361 -21.810  -7.131
  Start of MODEL    9
    1   1H5*    G 690          1H5*        G 690 -11.055 -12.836  -2.003
    2   2H5*    G 690          2H5*        G 690 -10.323 -12.105  -0.560
    3    H4*    G 690           H4*        G 690 -10.548 -14.562  -0.335
    4    H3*    G 690           H3*        G 690  -7.835 -13.233  -0.350
    5    H2*    G 690           H2*        G 690  -6.721 -15.305  -0.239
    6   2HO*    G 690          2HO*        G 690  -8.865 -16.999   0.022
    7    H1*    G 690           H1*        G 690  -8.315 -16.754  -1.923
    8    H8     G 690           H8         G 690  -7.709 -13.164  -3.071
    9    H1     G 690           H1         G 690  -3.090 -17.212  -4.786
   10   1H2     G 690          1H2         G 690  -3.409 -19.181  -3.817
   11   2H2     G 690          2H2         G 690  -4.758 -19.495  -2.748
   12    H5T    G 690           H5T        G 690  -8.372 -11.972  -1.659
   13   1H5*    C 691          1H5*        C 691  -8.234 -13.789   4.449
   14   2H5*    C 691          2H5*        C 691  -7.396 -12.295   4.915
   15    H4*    C 691           H4*        C 691  -6.246 -14.580   5.415
   16    H3*    C 691           H3*        C 691  -4.999 -12.103   4.212
   17    H2*    C 691           H2*        C 691  -2.951 -13.212   3.845
   18   2HO*    C 691          2HO*        C 691  -2.369 -15.071   4.930
   19    H1*    C 691           H1*        C 691  -3.906 -15.636   3.022
   20   1H4     C 691          1H4         C 691  -2.696 -12.087  -2.155
   21   2H4     C 691          2H4         C 691  -4.337 -11.484  -2.112
   22    H5     C 691           H5         C 691  -5.881 -11.983  -0.334
   23    H6     C 691           H6         C 691  -6.187 -13.169   1.789
   24   1H5*    G 692          1H5*        G 692  -2.942 -11.778   8.517
   25   2H5*    G 692          2H5*        G 692  -2.666 -10.025   8.546
   26    H4*    G 692           H4*        G 692  -0.613 -11.624   8.307
   27    H3*    G 692           H3*        G 692  -1.191  -9.105   6.728
   28    H2*    G 692           H2*        G 692   0.725  -9.440   5.389
   29   2HO*    G 692          2HO*        G 692   2.065  -9.989   7.264
   30    H1*    G 692           H1*        G 692   0.550 -12.154   5.078
   31    H8     G 692           H8         G 692  -2.935 -10.854   4.805
   32    H1     G 692           H1         G 692   0.506  -9.534  -0.398
   33   1H2     G 692          1H2         G 692   2.652  -9.945  -0.013
   34   2H2     G 692          2H2         G 692   3.232 -10.544   1.525
   35   1H5*    A 693          1H5*        A 693   2.841  -8.488   8.588
   36   2H5*    A 693          2H5*        A 693   3.175  -6.751   8.736
   37    H4*    A 693           H4*        A 693   4.640  -8.143   7.104
   38    H3*    A 693           H3*        A 693   3.282  -5.499   6.506
   39    H2*    A 693           H2*        A 693   4.070  -5.551   4.287
   40   2HO*    A 693          2HO*        A 693   5.718  -7.175   3.700
   41    H1*    A 693           H1*        A 693   3.807  -8.256   3.813
   42    H8     A 693           H8         A 693   0.709  -7.114   5.562
   43   1H6     A 693          1H6         A 693  -1.285  -4.883   0.180
   44   2H6     A 693          2H6         A 693  -1.730  -5.260   1.829
   45    H2     A 693           H2         A 693   3.043  -6.003  -0.292
   46   1H5*    G 694          1H5*        G 694   7.781  -4.895   5.525
   47   2H5*    G 694          2H5*        G 694   8.063  -3.180   5.888
   48    H4*    G 694           H4*        G 694   8.574  -3.965   3.490
   49    H3*    G 694           H3*        G 694   6.844  -1.589   4.235
   50    H2*    G 694           H2*        G 694   6.398  -1.155   1.962
   51   2HO*    G 694          2HO*        G 694   8.758  -2.665   1.564
   52    H1*    G 694           H1*        G 694   6.187  -3.757   1.077
   53    H8     G 694           H8         G 694   4.428  -3.243   4.390
   54    H1     G 694           H1         G 694   0.972  -1.294  -0.601
   55   1H2     G 694          1H2         G 694   2.215  -1.309  -2.437
   56   2H2     G 694          2H2         G 694   3.893  -1.801  -2.432
   57   1H5*    U 695          1H5*        U 695  10.180   0.161   1.737
   58   2H5*    U 695          2H5*        U 695  10.405   1.851   2.232
   59    H4*    U 695           H4*        U 695   9.598   1.391  -0.191
   60    H3*    U 695           H3*        U 695   8.355   3.351   1.765
   61    H2*    U 695           H2*        U 695   6.716   3.927   0.180
   62   2HO*    U 695          2HO*        U 695   7.171   2.930  -2.098
   63    H1*    U 695           H1*        U 695   6.400   1.427  -1.010
   64    H3     U 695           H3         U 695   2.433   2.744   0.853
   65    H5     U 695           H5         U 695   4.706   1.214   4.057
   66    H6     U 695           H6         U 695   6.612   1.091   2.560
   67   1H5*    U 696          1H5*        U 696   8.041   5.452  -1.568
   68   2H5*    U 696          2H5*        U 696   8.456   7.152  -1.271
   69    H4*    U 696           H4*        U 696   6.014   6.666  -1.876
   70    H3*    U 696           H3*        U 696   6.934   8.229   0.551
   71    H2*    U 696           H2*        U 696   4.723   8.481   1.300
   72   2HO*    U 696          2HO*        U 696   4.186   8.908  -1.157
   73    H1*    U 696           H1*        U 696   3.696   6.037   0.462
   74    H3     U 696           H3         U 696   3.402   6.394   5.021
   75    H5     U 696           H5         U 696   7.347   5.126   4.249
   76    H6     U 696           H6         U 696   6.939   5.512   1.888
   77   1H5*    G 697          1H5*        G 697   7.818  11.641   1.249
   78   2H5*    G 697          2H5*        G 697   7.139  10.212   2.053
   79    H4*    G 697           H4*        G 697   6.802  12.200   3.445
   80    H3*    G 697           H3*        G 697   4.423  10.808   2.220
   81    H2*    G 697           H2*        G 697   2.921  12.446   2.994
   82   2HO*    G 697          2HO*        G 697   4.879  13.752   4.564
   83    H1*    G 697           H1*        G 697   4.431  14.684   2.588
   84    H8     G 697           H8         G 697   4.730  12.026  -0.146
   85    H1     G 697           H1         G 697  -0.176  16.014  -0.959
   86   1H2     G 697          1H2         G 697  -0.401  17.315   0.823
   87   2H2     G 697          2H2         G 697   0.659  17.199   2.210
   88   1H5*    A 698          1H5*        A 698   0.873  10.065   5.704
   89   2H5*    A 698          2H5*        A 698   1.293   9.955   3.984
   90    H4*    A 698           H4*        A 698   0.485  12.472   5.481
   91    H3*    A 698           H3*        A 698  -0.954  10.556   3.646
   92    H2*    A 698           H2*        A 698  -1.952  12.316   2.439
   93   2HO*    A 698          2HO*        A 698  -2.545  14.101   3.422
   94    H1*    A 698           H1*        A 698   0.152  14.067   2.384
   95    H8     A 698           H8         A 698   1.787  10.834   1.726
   96   1H6     A 698          1H6         A 698  -0.540  10.906  -3.975
   97   2H6     A 698          2H6         A 698   0.610  10.136  -2.906
   98    H2     A 698           H2         A 698  -2.603  14.106  -1.587
   99   1H5*    C 699          1H5*        C 699  -4.379  12.549   4.470
  100   2H5*    C 699          2H5*        C 699  -5.664  11.331   4.591
  101    H4*    C 699           H4*        C 699  -5.665  12.813   2.489
  102    H3*    C 699           H3*        C 699  -5.755   9.785   2.487
  103    H2*    C 699           H2*        C 699  -5.751   9.751   0.138
  104   2HO*    C 699          2HO*        C 699  -6.997  12.206   0.496
  105    H1*    C 699           H1*        C 699  -4.141  11.988  -0.308
  106   1H4     C 699          1H4         C 699  -0.684   6.755  -1.492
  107   2H4     C 699          2H4         C 699  -0.277   6.643   0.205
  108    H5     C 699           H5         C 699  -1.221   8.084   1.887
  109    H6     C 699           H6         C 699  -2.768   9.940   2.307
  110   1H5*    U 700          1H5*        U 700  -7.359   8.125   0.542
  111   2H5*    U 700          2H5*        U 700  -8.047   6.820   1.529
  112    H4*    U 700           H4*        U 700  -5.382   7.070   0.989
  113    H3*    U 700           H3*        U 700  -6.908   5.794   3.264
  114    H2*    U 700           H2*        U 700  -4.957   5.508   4.548
  115   2HO*    U 700          2HO*        U 700  -3.824   4.783   2.471
  116    H1*    U 700           H1*        U 700  -3.668   7.848   3.954
  117    H3     U 700           H3         U 700  -5.085   7.720   8.335
  118    H5     U 700           H5         U 700  -8.295   9.318   6.120
  119    H6     U 700           H6         U 700  -7.103   8.729   4.090
  120   1H5*    A 701          1H5*        A 701  -7.099   5.900  -1.079
  121   2H5*    A 701          2H5*        A 701  -7.592   4.533  -2.099
  122    H4*    A 701           H4*        A 701  -6.008   5.810  -3.370
  123    H3*    A 701           H3*        A 701  -4.993   3.206  -2.216
  124    H2*    A 701           H2*        A 701  -2.811   3.611  -3.014
  125   2HO*    A 701          2HO*        A 701  -2.756   4.380  -4.990
  126    H1*    A 701           H1*        A 701  -2.641   6.283  -2.482
  127    H8     A 701           H8         A 701  -4.362   5.033   0.514
  128   1H6     A 701          1H6         A 701   0.926   2.541   2.448
  129   2H6     A 701          2H6         A 701  -0.708   2.971   2.902
  130    H2     A 701           H2         A 701   1.445   3.748  -1.851
  131   1H5*    C 702          1H5*        C 702  -4.398   2.300  -6.684
  132   2H5*    C 702          2H5*        C 702  -4.614   0.540  -6.760
  133    H4*    C 702           H4*        C 702  -2.260   1.510  -7.277
  134    H3*    C 702           H3*        C 702  -2.910  -0.809  -5.441
  135    H2*    C 702           H2*        C 702  -0.646  -1.031  -4.828
  136   2HO*    C 702          2HO*        C 702   0.690  -0.904  -6.468
  137    H1*    C 702           H1*        C 702   0.032   1.636  -4.727
  138   1H4     C 702          1H4         C 702  -1.206  -0.372   1.212
  139   2H4     C 702          2H4         C 702  -2.879   0.096   1.005
  140    H5     C 702           H5         C 702  -3.784   0.870  -1.086
  141    H6     C 702           H6         C 702  -3.285   1.362  -3.435
  142   1H5*    U 703          1H5*        U 703  -0.116  -2.215  -8.719
  143   2H5*    U 703          2H5*        U 703  -0.186  -3.977  -8.935
  144    H4*    U 703           H4*        U 703   2.052  -2.942  -8.135
  145    H3*    U 703           H3*        U 703   0.625  -5.333  -6.952
  146    H2*    U 703           H2*        U 703   2.213  -5.516  -5.217
  147   2HO*    U 703          2HO*        U 703   3.899  -4.773  -7.055
  148    H1*    U 703           H1*        U 703   2.569  -2.862  -4.672
  149    H3     U 703           H3         U 703   0.343  -4.896  -1.219
  150    H5     U 703           H5         U 703  -2.632  -3.895  -4.032
  151    H6     U 703           H6         U 703  -0.867  -3.293  -5.586
  152   1H5*    C 704          1H5*        C 704   4.599  -7.335  -8.072
  153   2H5*    C 704          2H5*        C 704   4.112  -9.012  -8.390
  154    H4*    C 704           H4*        C 704   5.639  -8.544  -6.338
  155    H3*    C 704           H3*        C 704   3.117 -10.229  -6.368
  156    H2*    C 704           H2*        C 704   3.316 -10.628  -4.059
  157   2HO*    C 704          2HO*        C 704   5.975 -10.417  -4.647
  158    H1*    C 704           H1*        C 704   4.347  -8.162  -3.293
  159   1H4     C 704          1H4         C 704  -1.839  -8.303  -1.727
  160   2H4     C 704          2H4         C 704  -2.260  -7.785  -3.344
  161    H5     C 704           H5         C 704  -0.647  -7.546  -5.116
  162    H6     C 704           H6         C 704   1.718  -7.750  -5.722
  163   1H5*    G 705          1H5*        G 705   6.837 -13.205  -6.116
  164   2H5*    G 705          2H5*        G 705   6.340 -14.736  -6.865
  165    H4*    G 705           H4*        G 705   7.060 -14.932  -4.451
  166    H3*    G 705           H3*        G 705   4.363 -15.816  -5.487
  167    H2*    G 705           H2*        G 705   3.617 -16.385  -3.327
  168   2HO*    G 705          2HO*        G 705   5.586 -17.519  -2.772
  169    H1*    G 705           H1*        G 705   4.719 -14.316  -1.916
  170    H8     G 705           H8         G 705   3.423 -12.887  -5.121
  171    H1     G 705           H1         G 705  -1.264 -14.165  -0.991
  172   1H2     G 705          1H2         G 705  -0.483 -15.379   0.690
  173   2H2     G 705          2H2         G 705   1.191 -15.874   0.796
  174   1H5*    C 706          1H5*        C 706   5.258 -20.455  -4.248
  175   2H5*    C 706          2H5*        C 706   4.976 -20.847  -5.957
  176    H4*    C 706           H4*        C 706   3.408 -21.980  -4.307
  177    H3*    C 706           H3*        C 706   2.450 -20.216  -6.575
  178    H2*    C 706           H2*        C 706   0.217 -20.625  -5.989
  179   2HO*    C 706          2HO*        C 706   0.709 -22.444  -3.943
  180    H1*    C 706           H1*        C 706   0.539 -20.497  -3.259
  181   1H4     C 706          1H4         C 706  -1.510 -14.803  -5.309
  182   2H4     C 706          2H4         C 706   0.150 -14.298  -5.535
  183    H5     C 706           H5         C 706   2.028 -15.780  -5.267
  184    H6     C 706           H6         C 706   2.725 -18.066  -4.721
  185    H3T    C 706           H3T        C 706   1.810 -22.406  -7.267
  Start of MODEL   10
    1   1H5*    G 690          1H5*        G 690 -10.455  -9.855  -0.805
    2   2H5*    G 690          2H5*        G 690  -9.716 -10.036   0.799
    3    H4*    G 690           H4*        G 690 -10.475 -12.215  -0.008
    4    H3*    G 690           H3*        G 690  -7.508 -11.695   0.242
    5    H2*    G 690           H2*        G 690  -6.975 -13.804  -0.662
    6   2HO*    G 690          2HO*        G 690  -8.818 -14.733   0.719
    7    H1*    G 690           H1*        G 690  -8.909 -13.961  -2.596
    8    H8     G 690           H8         G 690  -7.671 -10.450  -2.689
    9    H1     G 690           H1         G 690  -3.443 -14.517  -5.188
   10   1H2     G 690          1H2         G 690  -4.029 -16.604  -4.718
   11   2H2     G 690          2H2         G 690  -5.461 -16.992  -3.791
   12    H5T    G 690           H5T        G 690  -7.719  -9.814  -0.091
   13   1H5*    C 691          1H5*        C 691  -7.586 -14.402   4.267
   14   2H5*    C 691          2H5*        C 691  -6.461 -13.307   5.096
   15    H4*    C 691           H4*        C 691  -5.666 -15.728   4.583
   16    H3*    C 691           H3*        C 691  -4.143 -13.162   4.054
   17    H2*    C 691           H2*        C 691  -2.381 -14.351   3.047
   18   2HO*    C 691          2HO*        C 691  -2.830 -16.906   3.342
   19    H1*    C 691           H1*        C 691  -3.856 -16.321   1.781
   20   1H4     C 691          1H4         C 691  -2.213 -11.844  -2.481
   21   2H4     C 691          2H4         C 691  -3.746 -11.050  -2.198
   22    H5     C 691           H5         C 691  -5.290 -11.735  -0.483
   23    H6     C 691           H6         C 691  -5.702 -13.331   1.333
   24   1H5*    G 692          1H5*        G 692  -1.173 -14.376   7.908
   25   2H5*    G 692          2H5*        G 692  -1.452 -12.726   8.502
   26    H4*    G 692           H4*        G 692   0.974 -13.287   8.117
   27    H3*    G 692           H3*        G 692  -0.442 -10.983   6.761
   28    H2*    G 692           H2*        G 692   1.477 -10.444   5.499
   29   2HO*    G 692          2HO*        G 692   3.530 -11.111   6.072
   30    H1*    G 692           H1*        G 692   2.329 -12.969   4.897
   31    H8     G 692           H8         G 692  -1.446 -12.768   4.724
   32    H1     G 692           H1         G 692   1.409 -10.434  -0.478
   33   1H2     G 692          1H2         G 692   3.594 -10.274  -0.137
   34   2H2     G 692          2H2         G 692   4.347 -10.742   1.371
   35   1H5*    A 693          1H5*        A 693   3.089  -9.434   8.788
   36   2H5*    A 693          2H5*        A 693   3.044  -7.691   9.120
   37    H4*    A 693           H4*        A 693   4.718  -8.505   7.339
   38    H3*    A 693           H3*        A 693   2.705  -6.265   6.972
   39    H2*    A 693           H2*        A 693   3.424  -5.942   4.751
   40   2HO*    A 693          2HO*        A 693   5.763  -7.244   5.678
   41    H1*    A 693           H1*        A 693   3.880  -8.587   4.076
   42    H8     A 693           H8         A 693   0.610  -8.307   5.907
   43   1H6     A 693          1H6         A 693  -1.949  -6.502   0.603
   44   2H6     A 693          2H6         A 693  -2.263  -7.010   2.248
   45    H2     A 693           H2         A 693   2.512  -6.548   0.054
   46   1H5*    G 694          1H5*        G 694   6.874  -4.875   6.392
   47   2H5*    G 694          2H5*        G 694   7.134  -3.129   6.572
   48    H4*    G 694           H4*        G 694   7.581  -4.169   4.248
   49    H3*    G 694           H3*        G 694   5.896  -1.713   4.809
   50    H2*    G 694           H2*        G 694   5.366  -1.505   2.523
   51   2HO*    G 694          2HO*        G 694   6.653  -2.254   0.929
   52    H1*    G 694           H1*        G 694   5.127  -4.184   1.902
   53    H8     G 694           H8         G 694   3.364  -3.641   5.145
   54    H1     G 694           H1         G 694   0.039  -1.340   0.215
   55   1H2     G 694          1H2         G 694   1.307  -1.303  -1.604
   56   2H2     G 694          2H2         G 694   2.970  -1.846  -1.603
   57   1H5*    U 695          1H5*        U 695   9.047  -0.186   1.848
   58   2H5*    U 695          2H5*        U 695   9.337   1.490   2.356
   59    H4*    U 695           H4*        U 695   8.471   1.147  -0.037
   60    H3*    U 695           H3*        U 695   7.219   2.994   2.018
   61    H2*    U 695           H2*        U 695   5.531   3.593   0.499
   62   2HO*    U 695          2HO*        U 695   5.937   3.820  -1.580
   63    H1*    U 695           H1*        U 695   5.299   1.152  -0.850
   64    H3     U 695           H3         U 695   1.225   2.057   0.968
   65    H5     U 695           H5         U 695   3.585   0.796   4.225
   66    H6     U 695           H6         U 695   5.514   0.818   2.753
   67   1H5*    U 696          1H5*        U 696   8.062   5.257  -1.190
   68   2H5*    U 696          2H5*        U 696   8.703   6.906  -1.042
   69    H4*    U 696           H4*        U 696   6.443   6.903  -2.044
   70    H3*    U 696           H3*        U 696   6.924   8.185   0.656
   71    H2*    U 696           H2*        U 696   4.641   8.711   0.891
   72   2HO*    U 696          2HO*        U 696   4.769   8.753  -1.862
   73    H1*    U 696           H1*        U 696   3.551   6.446  -0.234
   74    H3     U 696           H3         U 696   2.570   6.639   4.242
   75    H5     U 696           H5         U 696   6.402   4.899   4.003
   76    H6     U 696           H6         U 696   6.428   5.439   1.638
   77   1H5*    G 697          1H5*        G 697   8.192  11.229   1.843
   78   2H5*    G 697          2H5*        G 697   6.845  10.098   2.092
   79    H4*    G 697           H4*        G 697   6.846  12.259   3.497
   80    H3*    G 697           H3*        G 697   4.550  11.111   1.922
   81    H2*    G 697           H2*        G 697   3.187  12.999   2.274
   82   2HO*    G 697          2HO*        G 697   3.396  13.357   4.439
   83    H1*    G 697           H1*        G 697   5.040  14.973   2.007
   84    H8     G 697           H8         G 697   5.784  12.236  -0.484
   85    H1     G 697           H1         G 697   1.034  16.054  -2.357
   86   1H2     G 697          1H2         G 697   0.428  17.384  -0.690
   87   2H2     G 697          2H2         G 697   1.193  17.330   0.883
   88   1H5*    A 698          1H5*        A 698   0.442  11.020   5.373
   89   2H5*    A 698          2H5*        A 698   0.925  10.725   3.691
   90    H4*    A 698           H4*        A 698   0.612  13.438   5.024
   91    H3*    A 698           H3*        A 698  -1.139  11.767   3.230
   92    H2*    A 698           H2*        A 698  -1.633  13.578   1.810
   93   2HO*    A 698          2HO*        A 698  -0.389  15.602   3.214
   94    H1*    A 698           H1*        A 698   0.805  14.793   1.735
   95    H8     A 698           H8         A 698   1.793  11.269   1.556
   96   1H6     A 698          1H6         A 698  -0.294  11.017  -4.233
   97   2H6     A 698          2H6         A 698   0.655  10.197  -3.014
   98    H2     A 698           H2         A 698  -1.800  14.822  -2.372
   99   1H5*    C 699          1H5*        C 699  -4.114  14.133   2.547
  100   2H5*    C 699          2H5*        C 699  -5.465  13.037   2.901
  101    H4*    C 699           H4*        C 699  -4.930  13.515   0.413
  102    H3*    C 699           H3*        C 699  -5.305  10.781   1.661
  103    H2*    C 699           H2*        C 699  -4.750   9.730  -0.345
  104   2HO*    C 699          2HO*        C 699  -6.077  10.445  -1.853
  105    H1*    C 699           H1*        C 699  -3.173  11.823  -1.484
  106   1H4     C 699          1H4         C 699   0.720   6.847  -0.698
  107   2H4     C 699          2H4         C 699   0.632   7.012   1.041
  108    H5     C 699           H5         C 699  -0.781   8.620   2.145
  109    H6     C 699           H6         C 699  -2.414  10.419   1.820
  110   1H5*    U 700          1H5*        U 700  -6.918   9.192   0.306
  111   2H5*    U 700          2H5*        U 700  -7.933   8.206   1.378
  112    H4*    U 700           H4*        U 700  -5.270   7.760   0.986
  113    H3*    U 700           H3*        U 700  -7.154   7.141   3.257
  114    H2*    U 700           H2*        U 700  -5.412   6.639   4.754
  115   2HO*    U 700          2HO*        U 700  -3.467   5.901   4.107
  116    H1*    U 700           H1*        U 700  -3.602   8.549   4.051
  117    H3     U 700           H3         U 700  -5.578   9.223   8.191
  118    H5     U 700           H5         U 700  -7.846  11.408   5.389
  119    H6     U 700           H6         U 700  -6.616  10.291   3.621
  120   1H5*    A 701          1H5*        A 701  -7.773   6.173  -0.974
  121   2H5*    A 701          2H5*        A 701  -8.144   4.591  -1.689
  122    H4*    A 701           H4*        A 701  -6.531   5.782  -3.092
  123    H3*    A 701           H3*        A 701  -5.606   3.316  -1.594
  124    H2*    A 701           H2*        A 701  -3.420   3.568  -2.433
  125   2HO*    A 701          2HO*        A 701  -2.970   4.613  -4.312
  126    H1*    A 701           H1*        A 701  -3.259   6.326  -2.377
  127    H8     A 701           H8         A 701  -4.720   5.467   0.893
  128   1H6     A 701          1H6         A 701   0.818   3.529   2.767
  129   2H6     A 701          2H6         A 701  -0.803   3.946   3.275
  130    H2     A 701           H2         A 701   0.979   4.113  -1.687
  131   1H5*    C 702          1H5*        C 702  -5.331   2.075  -5.907
  132   2H5*    C 702          2H5*        C 702  -5.398   0.304  -6.023
  133    H4*    C 702           H4*        C 702  -3.126   1.474  -6.479
  134    H3*    C 702           H3*        C 702  -3.614  -0.927  -4.700
  135    H2*    C 702           H2*        C 702  -1.359  -0.967  -4.023
  136   2HO*    C 702          2HO*        C 702  -0.988   0.053  -6.518
  137    H1*    C 702           H1*        C 702  -0.905   1.740  -3.859
  138   1H4     C 702          1H4         C 702  -2.164  -0.558   1.977
  139   2H4     C 702          2H4         C 702  -3.834  -0.076   1.774
  140    H5     C 702           H5         C 702  -4.717   0.781  -0.298
  141    H6     C 702           H6         C 702  -4.190   1.359  -2.621
  142   1H5*    U 703          1H5*        U 703  -0.150  -1.685  -7.567
  143   2H5*    U 703          2H5*        U 703  -0.221  -3.394  -8.044
  144    H4*    U 703           H4*        U 703   2.008  -2.555  -7.084
  145    H3*    U 703           H3*        U 703   0.490  -5.001  -6.147
  146    H2*    U 703           H2*        U 703   2.078  -5.409  -4.450
  147   2HO*    U 703          2HO*        U 703   3.879  -4.968  -5.975
  148    H1*    U 703           H1*        U 703   2.533  -2.824  -3.663
  149    H3     U 703           H3         U 703   0.309  -4.996  -0.315
  150    H5     U 703           H5         U 703  -2.683  -3.895  -3.071
  151    H6     U 703           H6         U 703  -0.929  -3.197  -4.596
  152   1H5*    C 704          1H5*        C 704   4.404  -6.563  -7.950
  153   2H5*    C 704          2H5*        C 704   4.238  -8.282  -8.362
  154    H4*    C 704           H4*        C 704   5.802  -7.628  -6.386
  155    H3*    C 704           H3*        C 704   3.694  -9.809  -6.391
  156    H2*    C 704           H2*        C 704   4.156 -10.311  -4.140
  157   2HO*    C 704          2HO*        C 704   6.375  -8.672  -3.820
  158    H1*    C 704           H1*        C 704   4.662  -7.739  -3.232
  159   1H4     C 704          1H4         C 704  -1.242  -9.421  -1.461
  160   2H4     C 704          2H4         C 704  -1.864  -8.760  -2.957
  161    H5     C 704           H5         C 704  -0.449  -7.942  -4.727
  162    H6     C 704           H6         C 704   1.865  -7.576  -5.445
  163   1H5*    G 705          1H5*        G 705   7.270 -13.346  -6.875
  164   2H5*    G 705          2H5*        G 705   6.241 -13.879  -8.220
  165    H4*    G 705           H4*        G 705   6.586 -15.619  -6.428
  166    H3*    G 705           H3*        G 705   3.855 -14.607  -7.256
  167    H2*    G 705           H2*        G 705   2.798 -15.954  -5.637
  168   2HO*    G 705          2HO*        G 705   3.700 -17.925  -5.828
  169    H1*    G 705           H1*        G 705   4.604 -15.663  -3.592
  170    H8     G 705           H8         G 705   3.989 -12.412  -5.456
  171    H1     G 705           H1         G 705  -0.486 -13.701  -1.100
  172   1H2     G 705          1H2         G 705  -0.207 -15.754  -0.310
  173   2H2     G 705          2H2         G 705   1.081 -16.804  -0.857
  174   1H5*    C 706          1H5*        C 706   3.726 -18.762  -7.777
  175   2H5*    C 706          2H5*        C 706   2.974 -19.376  -9.263
  176    H4*    C 706           H4*        C 706   1.789 -20.166  -7.233
  177    H3*    C 706           H3*        C 706   0.389 -18.280  -9.147
  178    H2*    C 706           H2*        C 706  -1.569 -18.395  -7.859
  179   2HO*    C 706          2HO*        C 706  -1.201 -20.806  -7.556
  180    H1*    C 706           H1*        C 706  -0.362 -18.317  -5.386
  181   1H4     C 706          1H4         C 706  -2.243 -12.399  -6.893
  182   2H4     C 706          2H4         C 706  -0.699 -12.116  -7.666
  183    H5     C 706           H5         C 706   0.965 -13.832  -7.959
  184    H6     C 706           H6         C 706   1.510 -16.191  -7.576
  185    H3T    C 706           H3T        C 706  -0.249 -20.148 -10.001
  Start of MODEL   11
    1   1H5*    G 690          1H5*        G 690 -10.649 -13.426  -2.318
    2   2H5*    G 690          2H5*        G 690 -10.372 -12.993  -0.619
    3    H4*    G 690           H4*        G 690 -10.128 -15.373  -0.768
    4    H3*    G 690           H3*        G 690  -7.563 -13.794  -0.502
    5    H2*    G 690           H2*        G 690  -6.246 -15.738  -0.711
    6   2HO*    G 690          2HO*        G 690  -7.255 -17.854  -0.569
    7    H1*    G 690           H1*        G 690  -7.686 -17.040  -2.640
    8    H8     G 690           H8         G 690  -7.394 -13.263  -3.150
    9    H1     G 690           H1         G 690  -2.459 -16.559  -5.485
   10   1H2     G 690          1H2         G 690  -2.611 -18.687  -4.872
   11   2H2     G 690          2H2         G 690  -3.928 -19.290  -3.891
   12    H5T    G 690           H5T        G 690  -8.565 -12.016  -1.137
   13   1H5*    C 691          1H5*        C 691  -7.433 -15.540   3.940
   14   2H5*    C 691          2H5*        C 691  -6.712 -14.103   4.693
   15    H4*    C 691           H4*        C 691  -5.297 -16.273   4.624
   16    H3*    C 691           H3*        C 691  -4.395 -13.497   3.820
   17    H2*    C 691           H2*        C 691  -2.292 -14.309   3.135
   18   2HO*    C 691          2HO*        C 691  -1.411 -15.738   4.420
   19    H1*    C 691           H1*        C 691  -3.096 -16.676   1.994
   20   1H4     C 691          1H4         C 691  -2.424 -12.336  -2.646
   21   2H4     C 691          2H4         C 691  -4.095 -11.863  -2.433
   22    H5     C 691           H5         C 691  -5.497 -12.723  -0.674
   23    H6     C 691           H6         C 691  -5.602 -14.223   1.262
   24   1H5*    G 692          1H5*        G 692  -2.005 -13.853   7.982
   25   2H5*    G 692          2H5*        G 692  -1.949 -12.133   8.417
   26    H4*    G 692           H4*        G 692   0.290 -13.319   7.871
   27    H3*    G 692           H3*        G 692  -0.667 -10.658   6.793
   28    H2*    G 692           H2*        G 692   1.216 -10.463   5.394
   29   2HO*    G 692          2HO*        G 692   3.091 -11.089   6.136
   30    H1*    G 692           H1*        G 692   1.458 -13.082   4.611
   31    H8     G 692           H8         G 692  -2.187 -12.216   4.580
   32    H1     G 692           H1         G 692   0.920  -9.749  -0.412
   33   1H2     G 692          1H2         G 692   3.108  -9.948  -0.118
   34   2H2     G 692          2H2         G 692   3.802 -10.688   1.307
   35   1H5*    A 693          1H5*        A 693   3.328 -10.050   8.186
   36   2H5*    A 693          2H5*        A 693   3.544  -8.497   9.020
   37    H4*    A 693           H4*        A 693   5.042  -8.726   7.047
   38    H3*    A 693           H3*        A 693   2.915  -6.570   7.154
   39    H2*    A 693           H2*        A 693   3.502  -5.813   5.005
   40   2HO*    A 693          2HO*        A 693   5.840  -7.436   4.989
   41    H1*    A 693           H1*        A 693   4.067  -8.250   3.831
   42    H8     A 693           H8         A 693   0.900  -8.229   5.949
   43   1H6     A 693          1H6         A 693  -2.055  -6.234   0.926
   44   2H6     A 693          2H6         A 693  -2.244  -6.810   2.567
   45    H2     A 693           H2         A 693   2.352  -6.216   0.050
   46   1H5*    G 694          1H5*        G 694   6.968  -5.358   5.942
   47   2H5*    G 694          2H5*        G 694   7.391  -3.700   6.414
   48    H4*    G 694           H4*        G 694   7.671  -4.288   3.934
   49    H3*    G 694           H3*        G 694   6.092  -1.922   4.990
   50    H2*    G 694           H2*        G 694   5.504  -1.297   2.800
   51   2HO*    G 694          2HO*        G 694   7.723  -2.915   2.037
   52    H1*    G 694           H1*        G 694   5.234  -3.834   1.701
   53    H8     G 694           H8         G 694   3.532  -3.475   5.070
   54    H1     G 694           H1         G 694   0.041  -1.207   0.240
   55   1H2     G 694          1H2         G 694   1.259  -1.151  -1.615
   56   2H2     G 694          2H2         G 694   2.928  -1.672  -1.658
   57   1H5*    U 695          1H5*        U 695   9.162  -0.430   2.112
   58   2H5*    U 695          2H5*        U 695   9.600   1.249   2.491
   59    H4*    U 695           H4*        U 695   8.540   0.820   0.188
   60    H3*    U 695           H3*        U 695   7.574   2.880   2.195
   61    H2*    U 695           H2*        U 695   5.832   3.513   0.753
   62   2HO*    U 695          2HO*        U 695   6.279   3.722  -1.299
   63    H1*    U 695           H1*        U 695   5.315   1.016  -0.392
   64    H3     U 695           H3         U 695   1.462   2.283   1.650
   65    H5     U 695           H5         U 695   4.022   1.216   4.824
   66    H6     U 695           H6         U 695   5.819   0.982   3.211
   67   1H5*    U 696          1H5*        U 696   7.640   5.030  -1.355
   68   2H5*    U 696          2H5*        U 696   8.639   6.486  -1.173
   69    H4*    U 696           H4*        U 696   6.415   7.091  -2.004
   70    H3*    U 696           H3*        U 696   7.236   7.942   0.779
   71    H2*    U 696           H2*        U 696   5.125   8.903   1.194
   72   2HO*    U 696          2HO*        U 696   3.731   8.728  -1.025
   73    H1*    U 696           H1*        U 696   3.542   7.030  -0.033
   74    H3     U 696           H3         U 696   2.738   6.561   4.409
   75    H5     U 696           H5         U 696   6.535   4.815   3.861
   76    H6     U 696           H6         U 696   6.495   5.607   1.568
   77   1H5*    G 697          1H5*        G 697   8.148  11.511   2.181
   78   2H5*    G 697          2H5*        G 697   6.792  10.399   2.460
   79    H4*    G 697           H4*        G 697   6.594  12.740   3.493
   80    H3*    G 697           H3*        G 697   4.524  11.333   1.813
   81    H2*    G 697           H2*        G 697   3.130  13.229   1.714
   82   2HO*    G 697          2HO*        G 697   3.568  15.067   3.128
   83    H1*    G 697           H1*        G 697   5.007  15.172   1.403
   84    H8     G 697           H8         G 697   6.234  12.302  -0.634
   85    H1     G 697           H1         G 697   1.291  15.225  -3.403
   86   1H2     G 697          1H2         G 697   0.340  16.628  -1.973
   87   2H2     G 697          2H2         G 697   0.924  16.843  -0.338
   88   1H5*    A 698          1H5*        A 698   2.157  12.744   5.050
   89   2H5*    A 698          2H5*        A 698   0.708  11.733   5.220
   90    H4*    A 698           H4*        A 698   0.359  14.076   4.242
   91    H3*    A 698           H3*        A 698  -0.616  11.488   3.030
   92    H2*    A 698           H2*        A 698  -1.446  12.592   1.119
   93   2HO*    A 698          2HO*        A 698  -1.047  15.187   1.592
   94    H1*    A 698           H1*        A 698   0.569  14.400   0.748
   95    H8     A 698           H8         A 698   1.976  11.053   1.824
   96   1H6     A 698          1H6         A 698   1.638   9.320  -4.076
   97   2H6     A 698          2H6         A 698   2.226   8.889  -2.486
   98    H2     A 698           H2         A 698  -0.464  13.271  -3.662
   99   1H5*    C 699          1H5*        C 699  -4.326  13.768   1.894
  100   2H5*    C 699          2H5*        C 699  -5.466  12.562   2.527
  101    H4*    C 699           H4*        C 699  -5.572  12.954   0.016
  102    H3*    C 699           H3*        C 699  -5.179  10.260   1.326
  103    H2*    C 699           H2*        C 699  -4.908   9.190  -0.753
  104   2HO*    C 699          2HO*        C 699  -5.700  10.024  -2.652
  105    H1*    C 699           H1*        C 699  -3.500  11.142  -2.085
  106   1H4     C 699          1H4         C 699   0.864   7.000   0.002
  107   2H4     C 699          2H4         C 699   0.676   7.578   1.643
  108    H5     C 699           H5         C 699  -0.946   9.238   2.279
  109    H6     C 699           H6         C 699  -2.747  10.699   1.486
  110   1H5*    U 700          1H5*        U 700  -7.208   8.868   0.572
  111   2H5*    U 700          2H5*        U 700  -8.179   7.809   1.613
  112    H4*    U 700           H4*        U 700  -5.522   7.480   1.303
  113    H3*    U 700           H3*        U 700  -7.333   6.978   3.674
  114    H2*    U 700           H2*        U 700  -5.498   6.518   5.075
  115   2HO*    U 700          2HO*        U 700  -3.755   5.550   4.332
  116    H1*    U 700           H1*        U 700  -3.733   8.396   4.122
  117    H3     U 700           H3         U 700  -5.202   9.144   8.459
  118    H5     U 700           H5         U 700  -7.764  11.309   5.906
  119    H6     U 700           H6         U 700  -6.761  10.150   4.025
  120   1H5*    A 701          1H5*        A 701  -7.620   6.512  -0.494
  121   2H5*    A 701          2H5*        A 701  -8.288   5.154  -1.422
  122    H4*    A 701           H4*        A 701  -6.489   6.043  -2.726
  123    H3*    A 701           H3*        A 701  -5.866   3.465  -1.264
  124    H2*    A 701           H2*        A 701  -3.648   3.493  -2.050
  125   2HO*    A 701          2HO*        A 701  -3.075   5.046  -3.779
  126    H1*    A 701           H1*        A 701  -3.188   6.215  -1.938
  127    H8     A 701           H8         A 701  -4.904   5.199   1.229
  128   1H6     A 701          1H6         A 701   0.531   3.173   3.296
  129   2H6     A 701          2H6         A 701  -1.126   3.533   3.730
  130    H2     A 701           H2         A 701   0.964   4.100  -1.081
  131   1H5*    C 702          1H5*        C 702  -5.478   2.460  -5.620
  132   2H5*    C 702          2H5*        C 702  -5.639   0.710  -5.872
  133    H4*    C 702           H4*        C 702  -3.302   1.777  -6.222
  134    H3*    C 702           H3*        C 702  -3.932  -0.703  -4.600
  135    H2*    C 702           H2*        C 702  -1.677  -0.911  -3.949
  136   2HO*    C 702          2HO*        C 702  -0.669   1.123  -5.573
  137    H1*    C 702           H1*        C 702  -1.078   1.761  -3.632
  138   1H4     C 702          1H4         C 702  -2.322  -0.739   2.116
  139   2H4     C 702          2H4         C 702  -4.015  -0.354   1.907
  140    H5     C 702           H5         C 702  -4.925   0.529  -0.141
  141    H6     C 702           H6         C 702  -4.411   1.230  -2.432
  142   1H5*    U 703          1H5*        U 703  -0.688  -1.299  -7.451
  143   2H5*    U 703          2H5*        U 703  -0.530  -2.958  -8.064
  144    H4*    U 703           H4*        U 703   1.515  -1.978  -6.866
  145    H3*    U 703           H3*        U 703   0.206  -4.630  -6.208
  146    H2*    U 703           H2*        U 703   1.727  -4.995  -4.445
  147   2HO*    U 703          2HO*        U 703   3.724  -4.561  -5.048
  148    H1*    U 703           H1*        U 703   1.924  -2.403  -3.517
  149    H3     U 703           H3         U 703  -0.061  -4.912  -0.267
  150    H5     U 703           H5         U 703  -3.132  -4.128  -3.046
  151    H6     U 703           H6         U 703  -1.462  -3.171  -4.524
  152   1H5*    C 704          1H5*        C 704   4.336  -5.935  -7.853
  153   2H5*    C 704          2H5*        C 704   4.120  -7.606  -8.410
  154    H4*    C 704           H4*        C 704   5.642  -7.174  -6.339
  155    H3*    C 704           H3*        C 704   3.461  -9.268  -6.587
  156    H2*    C 704           H2*        C 704   3.843  -9.973  -4.374
  157   2HO*    C 704          2HO*        C 704   6.313  -9.657  -4.940
  158    H1*    C 704           H1*        C 704   4.411  -7.503  -3.244
  159   1H4     C 704          1H4         C 704  -1.588  -9.097  -1.738
  160   2H4     C 704          2H4         C 704  -2.149  -8.369  -3.227
  161    H5     C 704           H5         C 704  -0.665  -7.502  -4.914
  162    H6     C 704           H6         C 704   1.679  -7.151  -5.543
  163   1H5*    G 705          1H5*        G 705   7.423 -12.028  -6.844
  164   2H5*    G 705          2H5*        G 705   6.795 -13.376  -7.812
  165    H4*    G 705           H4*        G 705   7.614 -13.922  -5.430
  166    H3*    G 705           H3*        G 705   4.955 -14.723  -6.635
  167    H2*    G 705           H2*        G 705   4.245 -15.690  -4.607
  168   2HO*    G 705          2HO*        G 705   6.832 -16.275  -4.374
  169    H1*    G 705           H1*        G 705   5.286 -13.850  -2.857
  170    H8     G 705           H8         G 705   3.821 -12.013  -5.788
  171    H1     G 705           H1         G 705  -0.646 -14.103  -1.746
  172   1H2     G 705          1H2         G 705   0.256 -15.496  -0.274
  173   2H2     G 705          2H2         G 705   1.957 -15.908  -0.289
  174   1H5*    C 706          1H5*        C 706   6.064 -19.307  -5.758
  175   2H5*    C 706          2H5*        C 706   5.713 -19.717  -7.449
  176    H4*    C 706           H4*        C 706   4.312 -20.918  -5.671
  177    H3*    C 706           H3*        C 706   3.145 -19.322  -7.967
  178    H2*    C 706           H2*        C 706   0.973 -19.892  -7.284
  179   2HO*    C 706          2HO*        C 706   1.730 -22.174  -6.816
  180    H1*    C 706           H1*        C 706   1.385 -19.630  -4.573
  181   1H4     C 706          1H4         C 706  -1.222 -14.213  -6.740
  182   2H4     C 706          2H4         C 706   0.378 -13.583  -7.065
  183    H5     C 706           H5         C 706   2.385 -14.892  -6.826
  184    H6     C 706           H6         C 706   3.295 -17.089  -6.227
  185    H3T    C 706           H3T        C 706   3.080 -21.301  -8.876