*HEADER    RNA                                     11-AUG-00   1FL8
*TITLE     HYPERMODIFIED NUCLEOSIDES IN THE ANTICODON OF TRNALYS
*TITLE    2 STABILIZE A CANONICAL U-TURN STRUCTURE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ANTICODON DOMAIN OF TRNA(LYS);
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: 17-MER TRNA(LYS) ANTICODON DOMAIN;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 MUTATION: YES;
*COMPND   7 OTHER_DETAILS: RESIDUES 30-40 (TRNA NUMBERING) ARE
*COMPND   8 IDENTICAL TO THOSE FOUND IN THE ANTICODON DOMAIN OF E.
*COMPND   9 COLI TRNA(LYS) INCLUDING MODIFIED NUCLEOSIDES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES
*KEYWDS    TRNA, ANTICODON, PSEUDOURIDINE, MNM5S2U, T6A
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    M.SUNDARAM, P.C.DURANT, D.R.DAVIS
*REVDAT   1   16-OCT-00 1FL8    0


!BIOSYM restraint 1


!
#chiral
1:U_27:C4*         R
1:U_27:C3*         S
1:U_27:C2*         R
1:U_27:C1*         R
1:C_28:C4*         R
1:C_28:C3*         S
1:C_28:C2*         R
1:C_28:C1*         R
1:A_29:C4*         R
1:A_29:C3*         S
1:A_29:C2*         R
1:A_29:C1*         R
1:G_30:C4*         R
1:G_30:C3*         S
1:G_30:C2*         R
1:G_30:C1*         R
1:A_31:C4*         R
1:A_31:C3*         S
1:A_31:C2*         R
1:A_31:C1*         R
1:C_32:C4*         R
1:C_32:C3*         S
1:C_32:C2*         R
1:C_32:C1*         R
1:U_33:C4*         R
1:U_33:C3*         S
1:U_33:C2*         R
1:U_33:C1*         R
1:U8U_34:C4*         R
1:U8U_34:C3*         S
1:U8U_34:C2*         R
1:U8U_34:C1*         R
1:U_35:C4*         R
1:U_35:C3*         S
1:U_35:C2*         R
1:U_35:C1*         R
1:U_36:C4*         R
1:U_36:C3*         S
1:U_36:C2*         R
1:U_36:C1*         R
1:T6A_37:C4*         R
1:T6A_37:C3*         S
1:T6A_37:C2*         R
1:T6A_37:C1*         R
1:A_38:C4*         R
1:A_38:C3*         S
1:A_38:C2*         R
1:A_38:C1*         R
1:PSU_39:C4*         R
1:PSU_39:C3*         S
1:PSU_39:C2*         S
1:PSU_39:C1*         S
1:C_40:C4*         R
1:C_40:C3*         S
1:C_40:C2*         R
1:C_40:C1*         R
1:U_41:C4*         R
1:U_41:C3*         S
1:U_41:C2*         R
1:U_41:C1*         R
1:G_42:C4*         R
1:G_42:C3*         S
1:G_42:C2*         R
1:G_42:C1*         R
1:A_43:C4*         R
1:A_43:C3*         S
1:A_43:C2*         R
1:A_43:C1*         R
!

#distance
!Watson-Crick Base pairing.
!looser restraints for weak imino protons (27-43 and 31-39 base pairs)

!U27-A43
1:U_27:H3          1:A_43:N1           1.800  2.400 50.00 50.00 10000.000
1:U_27:O4          1:A_43:H61          1.800  2.400 50.00 50.00 10000.000
1:U_27:O2          1:A_43:H2           2.800  3.400 50.00 50.00 10000.000

!C28-G42
1:C_28:O2          1:G_42:H22          1.600  2.000 50.00 50.00 10000.000
1:C_28:N3          1:G_42:H1           1.600  2.000 50.00 50.00 10000.000
1:C_28:H42         1:G_42:O6           1.600  2.000 50.00 50.00 10000.000

!A29-U41
1:A_29:N1          1:U_41:H3           1.600  2.000 50.00 50.00 10000.000
1:A_29:H61         1:U_41:O4           1.600  2.000 50.00 50.00 10000.000
1:A_29:H2          1:U_41:O2           2.600  3.000 50.00 50.00 10000.000

!G30-C40
1:G_30:H22         1:C_40:O2           1.600  2.000 50.00 50.00 10000.000
1:G_30:H1          1:C_40:N3           1.600  2.000 50.00 50.00 10000.000
1:G_30:O6          1:C_40:H42          1.600  2.000 50.00 50.00 10000.000

!A31-PSU39

1:PSU_39:HN3         1:A_31:N1           1.800  2.400 50.00 50.00 10000.000
1:PSU_39:O2          1:A_31:H61          1.800  2.400 50.00 50.00 10000.000
1:PSU_39:O4          1:A_31:H2           2.800  3.400 50.00 50.00 10000.000

!NOE Distance restraints not involved in Watson-Crick base pairs.
!Used a distance of 2.45 angstroms for an average volume of 4.096 (not
!including the U27 H5-H6 crosspeak) (using the 180ms wetnoesy)


!U27

1:U_27:H6          1:U_27:H1*          3.300  4.300 50.00 50.00 1000.000

1:U_27:H6          1:U_27:H2*          2.600  4.500 50.00 50.00 1000.000
1:U_27:H6          1:U_27:H3*          2.600  4.500 50.00 50.00 1000.000

1:U_27:H6          1:U_27:H5*1         2.800  4.500 50.00 50.00 1000.000
1:U_27:H6          1:U_27:H5*2         2.800  4.500 50.00 50.00 1000.000


!C28

1:C_28:H6          1:C_28:H1*          3.200  4.200 50.00 50.00 1000.000
1:C_28:H6          1:C_28:H3*          2.300  3.300 50.00 50.00 1000.000
1:C_28:H6          1:C_28:H5*1         3.300  19.00 50.00 50.00 1000.000
1:C_28:H6          1:C_28:H5*2         3.300  19.00 50.00 50.00 1000.000

1:C_28:H6          1:U_27:H1*          4.500  19.00 50.00 50.00 1000.000

1:C_28:H6          1:U_27:H2*          2.300  4.500 50.00 50.00 1000.000
1:C_28:H6          1:U_27:H3*          2.900  4.500 50.00 50.00 1000.000

1:C_28:H1*         1:C_28:H2*          2.500  3.500 50.00 50.00 1000.000

1:C_28:H1*         1:C_28:H4*          3.000  19.00 50.00 50.00 1000.000
1:C_28:H1*         1:U_27:H2*          3.000  19.00 50.00 50.00 1000.000


!A29

1:A_29:H8          1:A_29:H1*          3.500  4.500 50.00 50.00 1000.000

1:A_29:H8          1:A_29:H2*          2.900  19.00 50.00 50.00 1000.000

1:A_29:H8          1:A_29:H3*          2.500  3.500 50.00 50.00 1000.000
1:A_29:H8          1:A_29:H5*1         3.000  19.00 50.00 50.00 1000.000
1:A_29:H8          1:A_29:H5*2         3.000  19.00 50.00 50.00 1000.000

1:A_29:H8          1:C_28:H1*          3.900  19.00 50.00 50.00 1000.000

1:A_29:H8          1:C_28:H2*          2.200  3.200 50.00 50.00 1000.000

1:A_29:H8          1:C_28:H3*          2.900  19.00 50.00 50.00 1000.000

1:A_29:H2          1:G_30:H1*          2.900  3.900 50.00 50.00 1000.000
1:A_29:H2          1:G_42:H1*          3.100  4.100 50.00 50.00 1000.000

1:A_29:H8          1:G_30:H8           3.900  4.900 50.00 50.00 1000.000


!G30

1:G_30:H8          1:G_30:H1*          3.800  4.800 50.00 50.00 1000.000

1:G_30:H8          1:G_30:H2*          2.600  4.500 50.00 50.00 1000.000
1:G_30:H8          1:G_30:H3*          2.600  4.500 50.00 50.00 1000.000

1:G_30:H8          1:G_30:H5*1         2.900  19.00 50.00 50.00 1000.000
1:G_30:H8          1:G_30:H5*2         2.900  19.00 50.00 50.00 1000.000

1:G_30:H8          1:A_29:H1*          4.000  19.00 50.00 50.00 1000.000

1:G_30:H8          1:A_29:H2*          2.400  3.400 50.00 50.00 1000.000
1:G_30:H8          1:A_29:H3*          3.000  4.000 50.00 50.00 1000.000

1:G_30:H1*         1:A_29:H2*          3.200  4.200 50.00 50.00 1000.000

1:G_30:H8          1:A_31:H8           3.700  4.700 50.00 50.00 1000.000


!A31

1:A_31:H8          1:A_31:H1*          3.600  4.600 50.00 50.00 1000.000

1:A_31:H8          1:A_31:H3*          2.600  4.500 50.00 50.00 1000.000
1:A_31:H8          1:G_30:H3*          2.600  19.00 50.00 50.00 1000.000

1:A_31:H8          1:A_31:H2*          3.100  4.100 50.00 50.00 1000.000
1:A_31:H8          1:A_31:H5*1         3.100  19.00 50.00 50.00 1000.000
1:A_31:H8          1:A_31:H5*2         3.100  19.00 50.00 50.00 1000.000

1:A_31:H8          1:G_30:H1*          4.100  19.00 50.00 50.00 1000.000

1:A_31:H8          1:G_30:H2*          2.400  3.400 50.00 50.00 1000.000

1:A_31:H2          1:C_32:H1*          3.100  4.100 50.00 50.00 1000.000
1:A_31:H2          1:C_40:H1*          3.200  4.200 50.00 50.00 1000.000

1:A_31:H1*         1:G_30:H2*          3.600  4.600 50.00 50.00 1000.000

1:A_31:H8          1:C_32:H5           3.500  4.500 50.00 50.00 1000.000

!C32

1:C_32:H6          1:C_32:H2*          3.100  4.100 50.00 50.00 1000.000
1:C_32:H6          1:C_32:H3*          2.400  3.400 50.00 50.00 1000.000
1:C_32:H6          1:C_32:H5*1         3.200  19.00 50.00 50.00 1000.000
1:C_32:H6          1:C_32:H5*2         3.200  19.00 50.00 50.00 1000.000

1:C_32:H6          1:A_31:H1*          4.100  19.00 50.00 50.00 1000.000

1:C_32:H6          1:A_31:H2*          2.500  3.500 50.00 50.00 1000.000
1:C_32:H5          1:A_31:H2*          3.300  4.300 50.00 50.00 1000.000
1:C_32:H6          1:A_31:H3*          2.500  3.500 50.00 50.00 1000.000
1:C_32:H5          1:A_31:H3*          3.000  4.000 50.00 50.00 1000.000

1:C_32:H1*         1:A_31:H2*          3.800  4.800 50.00 50.00 1000.000

1:C_32:H6          1:U_33:H5           3.300  4.300 50.00 50.00 1000.000
1:C_32:H6          1:U_33:H6           3.100  4.100 50.00 50.00 1000.000
1:C_32:H5          1:U_33:H5           3.000  4.000 50.00 50.00 1000.000

!U33

1:U_33:H6          1:U_33:H1*          3.100  4.100 50.00 50.00 1000.000

1:U_33:H6          1:U_33:H2*          2.400  3.400 50.00 50.00 1000.000
1:U_33:H6          1:U_33:H3*          2.600  3.600 50.00 50.00 1000.000

1:U_33:H6          1:U_33:H5*1         3.300  19.00 50.00 50.00 1000.000
1:U_33:H6          1:U_33:H5*2         3.300  19.00 50.00 50.00 1000.000

1:U_33:H6          1:C_32:H1*          4.300  19.00 50.00 50.00 1000.000
1:U_33:H6          1:C_32:H2*          2.700  3.700 50.00 50.00 1000.000

1:U_33:H6          1:C_32:H3*          3.000  4.500 50.00 50.00 1000.000

1:U_33:H1*         1:C_32:H2*          3.600  4.600 50.00 50.00 1000.000

1:U_33:H1*         1:U8U_34:H2*          4.000  5.500 50.00 50.00 1000.000
1:U_33:H1*         1:U8U_34:H3*          4.000  5.500 50.00 50.00 1000.000

1:U_33:H5          1:C_32:H2*          3.800  4.800 50.00 50.00 1000.000
1:U_33:H5          1:C_32:H3*          3.300  4.300 50.00 50.00 1000.000


!U8U34

1:U8U_34:H6          1:U8U_34:H1*          3.300  4.300 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:H2*          2.600  3.600 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:H3*          2.700  3.700 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:H5*1         3.400  19.00 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:H5*2         3.400  19.00 50.00 50.00 1000.000

1:U8U_34:H6          1:U_33:H2*          4.000  5.500 50.00 50.00 1000.000

1:U8U_34:H6          1:U8U_34:CA           3.700  5.600 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:HA1          3.500  19.00 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:HA2          3.500  19.00 50.00 50.00 1000.000
1:U8U_34:H6          1:U8U_34:HA3          3.500  19.00 50.00 50.00 1000.000

1:U8U_34:HA2         1:U_33:H2*          4.400  19.00 50.00 50.00 1000.000
1:U8U_34:HA1         1:U_33:H2*          4.400  19.00 50.00 50.00 1000.000
1:U8U_34:HA3         1:U_33:H2*          4.400  19.00 50.00 50.00 1000.000

1:U_33:H1*         1:U8U_34:CA           4.000  5.900 50.00 50.00 1000.000
1:U_33:H1*         1:U8U_34:HA1          3.800  19.00 50.00 50.00 1000.000
1:U_33:H1*         1:U8U_34:HA3          3.800  19.00 50.00 50.00 1000.000
1:U_33:H1*         1:U8U_34:HA2          3.800  19.00 50.00 50.00 1000.000

1:U_33:H5*1        1:U8U_34:CA           3.700  5.600 50.00 50.00 1000.000
1:U_33:H5*1        1:U8U_34:HA2          3.500  19.00 50.00 50.00 1000.000
1:U_33:H5*1        1:U8U_34:HA1          3.500  19.00 50.00 50.00 1000.000
1:U_33:H5*1        1:U8U_34:HA3          3.500  19.00 50.00 50.00 1000.000

1:U_35:H5          1:U8U_34:CA           3.600  5.500 50.00 50.00 1000.000
1:U_35:H5          1:U8U_34:HA2          3.400  19.00 50.00 50.00 1000.000
1:U_35:H5          1:U8U_34:HA1          3.400  19.00 50.00 50.00 1000.000
1:U_35:H5          1:U8U_34:HA3          3.400  19.00 50.00 50.00 1000.000

1:U_35:H5          1:U8U_34:HC2          4.000  19.00 50.00 50.00 1000.000
1:U_35:H5          1:U8U_34:HC1          4.000  19.00 50.00 50.00 1000.000

1:U_35:H6          1:U8U_34:HC2          3.900  19.00 50.00 50.00 1000.000
1:U_35:H6          1:U8U_34:HC1          3.900  19.00 50.00 50.00 1000.000

1:U_35:H6          1:U8U_34:HA3          4.500  19.00 50.00 50.00 1000.000
1:U_35:H6          1:U8U_34:HA2          4.500  19.00 50.00 50.00 1000.000
1:U_35:H6          1:U8U_34:HA1          4.500  19.00 50.00 50.00 1000.000

1:U_33:H4*         1:U8U_34:CA           3.600  5.500 50.00 50.00 1000.000
1:U_33:H4*         1:U8U_34:HA1          3.400  19.00 50.00 50.00 1000.000
1:U_33:H4*         1:U8U_34:HA3          3.400  19.00 50.00 50.00 1000.000
1:U_33:H4*         1:U8U_34:HA2          3.400  19.00 50.00 50.00 1000.000

1:U_33:H4*         1:U8U_34:HC2          4.500  19.00 50.00 50.00 1000.000
1:U_33:H4*         1:U8U_34:HC1          4.500  19.00 50.00 50.00 1000.000
1:U_33:H3*         1:U8U_34:HC2          4.500  19.00 50.00 50.00 1000.000
1:U_33:H3*         1:U8U_34:HC1          4.500  19.00 50.00 50.00 1000.000
1:U_33:H2*         1:U8U_34:HC2          4.500  19.00 50.00 50.00 1000.000
1:U_33:H2*         1:U8U_34:HC1          4.500  19.00 50.00 50.00 1000.000

1:U_33:H1*         1:U8U_34:HC1          3.600  19.00 50.00 50.00 1000.000
1:U_33:H1*         1:U8U_34:HC2          3.600  19.00 50.00 50.00 1000.000
1:U_33:H1*         1:U8U_34:C            3.800  5.700 50.00 50.00 1000.000

1:U8U_34:H6          1:U_35:H5           3.700  4.700 50.00 50.00 1000.000
1:U8U_34:H6          1:U_35:H6           3.700  4.700 50.00 50.00 1000.000

!1:A_37:HA          1:U_34:CA           5.600  6.600 50.00 50.00 1000.000
!1:C_32:H1*         1:U_34:CA           5.600  6.600 50.00 50.00 1000.000
!1:C_32:H2*         1:U_34:CA           5.600  6.600 50.00 50.00 1000.000

!U35

1:U_35:H6          1:U_35:H1*          3.100  4.100 50.00 50.00 1000.000

1:U_35:H6          1:U_35:H2*          2.400  3.400 50.00 50.00 1000.000
1:U_35:H6          1:U_35:H3*          2.600  3.600 50.00 50.00 1000.000

1:U_35:H6          1:U_35:H5*1         3.300  19.00 50.00 50.00 1000.000
1:U_35:H6          1:U_35:H5*2         3.300  19.00 50.00 50.00 1000.000

1:U_35:H6          1:U8U_34:H2*          2.600  3.600 50.00 50.00 1000.000
1:U_35:H6          1:U8U_34:H3*          2.900  3.900 50.00 50.00 1000.000
1:U_35:H5          1:U8U_34:H2*          3.400  4.400 50.00 50.00 1000.000

1:U_35:H6          1:U_33:H1*          3.700  19.00 50.00 50.00 1000.000

1:U_35:H5          1:U_33:H1*          3.300  4.300 50.00 50.00 1000.000

1:U_35:H1*         1:U8U_34:H2*          3.600  4.600 50.00 50.00 1000.000


!U36

1:U_36:H6          1:U_36:H2*          2.600  3.600 50.00 50.00 1000.000
1:U_36:H6          1:U_36:H3*          2.700  3.700 50.00 50.00 1000.000
1:U_36:H6          1:U_36:H5*1         3.000  19.00 50.00 50.00 1000.000
1:U_36:H6          1:U_36:H5*2         3.000  19.00 50.00 50.00 1000.000

1:U_36:H6          1:U_35:H2*          2.500  3.500 50.00 50.00 1000.000
1:U_36:H5          1:U_35:H2*          3.100  4.100 50.00 50.00 1000.000
1:U_36:H6          1:U_35:H3*          3.100  4.100 50.00 50.00 1000.000
1:U_36:H5          1:U_35:H3*          3.500  4.500 50.00 50.00 1000.000

1:U_36:H6          1:U_33:H1*          4.500  19.00 50.00 50.00 1000.000

1:U_36:H5          1:U_33:H1*          3.400  4.400 50.00 50.00 1000.000
1:U_36:H5          1:U_33:H2*          4.500  19.00 50.00 50.00 1000.000

1:U_36:H6          1:U_35:H5           4.500  19.00 50.00 50.00 1000.000
1:U_36:H6          1:T6A_37:H8           4.500  19.00 50.00 50.00 1000.000
1:U_36:H5          1:U_35:H6           4.200  19.00 50.00 50.00 1000.000

1:U_36:H1*         1:U_35:H2*          3.400  4.500 50.00 50.00 1000.000


!T6A37

1:T6A_37:H8          1:T6A_37:H1*          3.200  4.200 50.00 50.00 1000.000
1:T6A_37:H8          1:T6A_37:H2*          3.300  4.300 50.00 50.00 1000.000
1:T6A_37:H8          1:T6A_37:H3*          3.000  4.000 50.00 50.00 1000.000

1:T6A_37:H8          1:T6A_37:H5*1         3.000  19.00 50.00 50.00 1000.000
1:T6A_37:H8          1:T6A_37:H5*2         3.000  19.00 50.00 50.00 1000.000

1:T6A_37:H8          1:U_36:H1*          4.500  19.00 50.00 50.00 1000.000
1:T6A_37:H8          1:U_36:H2*          2.900  3.900 50.00 50.00 1000.000
1:T6A_37:H8          1:U_36:H3*          2.900  3.900 50.00 50.00 1000.000

1:T6A_37:H1*         1:U_36:H2*          3.600  4.600 50.00 50.00 1000.000

1:T6A_37:HN1         1:T6A_37:H2           3.000  4.000 100.00 100.00 1000.000

1:T6A_37:H12         1:A_38:H1*          4.500  19.00 50.00 50.00 1000.000
1:T6A_37:H14         1:A_38:H1*          4.500  19.00 50.00 50.00 1000.000

1:T6A_37:H12         1:A_38:H2           3.100  4.100 50.00 50.00 1000.000
1:T6A_37:H14         1:A_38:H2           3.200  4.700 50.00 50.00 1000.000

1:T6A_37:H12         1:T6A_37:H2           4.500  19.00 50.00 50.00 1000.000
1:T6A_37:H14         1:T6A_37:H2           4.500  19.00 50.00 50.00 1000.000

1:T6A_37:HN1         1:T6A_37:H12          2.500  3.500 50.00 50.00 1000.000

1:T6A_37:HN1         1:T6A_37:H14          3.150  4.150 50.00 50.00 1000.000

1:T6A_37:C15         1:A_38:H1*          4.400  6.300 50.00 50.00 1000.000
1:T6A_37:H115        1:A_38:H1*          4.200  19.00 50.00 50.00 1000.000
1:T6A_37:H215        1:A_38:H1*          4.200  19.00 50.00 50.00 1000.000
1:T6A_37:H315        1:A_38:H1*          4.200  19.00 50.00 50.00 1000.000

1:T6A_37:H315        1:A_38:H2           2.400  19.00 50.00 50.00 1000.000
1:T6A_37:H215        1:A_38:H2           2.400  19.00 50.00 50.00 1000.000
1:T6A_37:H115        1:A_38:H2           2.400  19.00 50.00 50.00 1000.000
1:T6A_37:C15         1:A_38:H2           2.600  4.500 50.00 50.00 1000.000

1:T6A_37:C15         1:T6A_37:H2           4.300  6.200 50.00 50.00 1000.000
1:T6A_37:H315        1:T6A_37:H2           4.100  19.00 50.00 50.00 1000.000
1:T6A_37:H115        1:T6A_37:H2           4.100  19.00 50.00 50.00 1000.000
1:T6A_37:H215        1:T6A_37:H2           4.100  19.00 50.00 50.00 1000.000

1:T6A_37:H315        1:T6A_37:HN1          2.800  19.00 50.00 50.00 1000.000
1:T6A_37:H215        1:T6A_37:HN1          2.800  19.00 50.00 50.00 1000.000
1:T6A_37:H115        1:T6A_37:HN1          2.800  19.00 50.00 50.00 1000.000
1:T6A_37:C15         1:T6A_37:HN1          3.200  5.100 50.00 50.00 1000.000

1:T6A_37:H2          1:A_38:H2           4.500  19.00 50.00 50.00 1000.000

1:T6A_37:H2          1:A_38:H1*          3.200  4.200 50.00 50.00 1000.000

1:T6A_37:H8          1:U_36:H5           4.500  19.00 50.00 50.00 1000.000
1:T6A_37:H8          1:A_38:H8           3.800  4.800 50.00 50.00 1000.000

1:T6A_37:HN6         1:U_33:H1*          4.000  19.01 50.00 50.00 1000.000
1:T6A_37:HN6         1:U_35:H2*          4.000  19.01 50.00 50.00 1000.000
1:T6A_37:HN6         1:U_35:H5           4.000  19.01 50.00 50.00 1000.000

1:T6A_37:HN1         1:A_38:H2           3.800  4.800 50.00 50.00 1000.000

1:T6A_37:HN1         1:A_38:H1*          4.500  5.500 50.00 50.00 1000.000


!A38

1:A_38:H8          1:A_38:H1*          3.900  4.900 50.00 50.00 1000.000
1:A_38:H8          1:A_38:H3*          2.300  3.300 50.00 50.00 1000.000
1:A_38:H8          1:A_38:H5*1         3.300  19.00 50.00 50.00 1000.000
1:A_38:H8          1:A_38:H5*2         3.300  19.00 50.00 50.00 1000.000

1:A_38:H8          1:T6A_37:H1*          4.500  19.00 50.00 50.00 1000.000
1:A_38:H8          1:T6A_37:H2*          2.700  3.700 50.00 50.00 1000.000
1:A_38:H8          1:T6A_37:H3*          2.600  3.600 50.00 50.00 1000.000

1:A_38:H2          1:PSU_39:H1*          2.800  3.800 50.00 50.00 1000.000
1:A_38:H8          1:PSU_39:H6           3.400  4.400 50.00 50.00 1000.000

1:A_38:H1*         1:T6A_37:H2*          4.500  19.00 50.00 50.00 1000.000


!PSU39

1:PSU_39:H6          1:PSU_39:H1*          3.500  4.500 50.00 50.00 1000.000
1:PSU_39:H6          1:PSU_39:H2*          3.400  4.400 50.00 50.00 1000.000
1:PSU_39:H6          1:PSU_39:H3*          2.500  3.500 50.00 50.00 1000.000

1:PSU_39:H6          1:A_38:H2*          2.500  3.500 50.00 50.00 1000.000
1:PSU_39:H6          1:A_38:H3*          2.500  3.500 50.00 50.00 1000.000

1:PSU_39:H6          1:PSU_39:H5*1         3.400  19.00 50.00 50.00 1000.000
1:PSU_39:H6          1:PSU_39:H5*2         3.400  19.00 50.00 50.00 1000.000

1:PSU_39:H6          1:C_40:H5           3.400  4.400 50.00 50.00 1000.000
1:PSU_39:H6          1:C_40:H6           4.500  19.00 50.00 50.00 1000.000

1:PSU_39:H6          1:A_38:H1*          4.300  19.00 50.00 50.00 1000.000


!C40  

1:C_40:H6          1:C_40:H1*          3.100  4.100 50.00 50.00 1000.000

1:C_40:H6          1:C_40:H2*          3.000  4.000 50.00 50.00 1000.000

1:C_40:H6          1:C_40:H3*          2.400  3.400 50.00 50.00 1000.000
1:C_40:H6          1:C_40:H5*1         3.300  19.00 50.00 50.00 1000.000
1:C_40:H6          1:C_40:H5*2         3.300  19.00 50.00 50.00 1000.000

1:C_40:H6          1:PSU_39:H1*          3.500  19.00 50.00 50.00 1000.000

1:C_40:H6          1:PSU_39:H2*          2.200  3.200 50.00 50.00 1000.000
1:C_40:H6          1:PSU_39:H3*          2.700  3.700 50.00 50.00 1000.000

1:C_40:H5          1:PSU_39:H1*          4.500  19.00 50.00 50.00 1000.000
1:C_40:H5          1:PSU_39:H2*          3.100  4.100 50.00 50.00 1000.000

1:C_40:H5          1:PSU_39:H3*          3.100  4.100 50.00 50.00 1000.000

1:C_40:H6          1:U_41:H5           4.000  19.000 50.00 50.00 1000.000

1:C_40:H5          1:U_41:H5           4.100  5.100 50.00 50.00 1000.000

1:C_40:H1*         1:PSU_39:H2*          4.000  19.00 50.00 50.00 1000.000


!U41

1:U_41:H6          1:U_41:H1*          3.300  4.300 50.00 50.00 1000.000
1:U_41:H6          1:U_41:H2*          2.900  3.900 50.00 50.00 1000.000
1:U_41:H6          1:U_41:H3*          2.400  3.400 50.00 50.00 1000.000
1:U_41:H6          1:U_41:H5*1         3.200  19.00 50.00 50.00 1000.000
1:U_41:H6          1:U_41:H5*2         3.200  19.00 50.00 50.00 1000.000

1:U_41:H6          1:C_40:H1*          3.600  19.00 50.00 50.00 1000.000

1:U_41:H6          1:C_40:H2*          2.100  3.100 50.00 50.00 1000.000
1:U_41:H6          1:C_40:H3*          2.700  3.700 50.00 50.00 1000.000

1:U_41:H5          1:C_40:H2*          3.100  4.100 50.00 50.00 1000.000
1:U_41:H5          1:C_40:H3*          3.000  4.000 50.00 50.00 1000.000

1:U_41:H6          1:C_40:H5           4.500  19.00 50.00 50.00 1000.000

1:U_41:H1*         1:C_40:H2*          4.000  5.000 50.00 50.00 1000.000


!G42

1:G_42:H8          1:G_42:H2*          3.200  4.200 50.00 50.00 1000.000

1:G_42:H8          1:G_42:H5*1         2.900  19.00 50.00 50.00 1000.000
1:G_42:H8          1:G_42:H5*2         2.900  19.00 50.00 50.00 1000.000

1:G_42:H8          1:G_42:H3*          2.400  4.500 50.00 50.00 1000.000
1:G_42:H8          1:U_41:H2*          2.400  4.500 50.00 50.00 1000.000

1:G_42:H8          1:U_41:H1*          4.100  19.00 50.00 50.00 1000.000

1:G_42:H8          1:U_41:H3*          2.700  4.500 50.00 50.00 1000.000

1:G_42:H8          1:U_41:H5           4.500  19.00 50.00 50.00 1000.000

1:G_42:H1*         1:U_41:H2*          3.700  4.700 50.00 50.00 1000.000


!A43

1:A_43:H8          1:A_43:H1*          3.300  4.300 50.00 50.00 1000.000
1:A_43:H8          1:A_43:H2*          2.800  3.800 50.00 50.00 1000.000
1:A_43:H8          1:A_43:H3*          2.400  3.400 50.00 50.00 1000.000

1:A_43:H8          1:G_42:H1*          3.900  19.00 50.00 50.00 1000.000

1:A_43:H8          1:G_42:H2*          2.400  3.400 50.00 50.00 1000.000
1:A_43:H8          1:G_42:H3*          2.800  3.800 50.00 50.00 1000.000

1:A_43:H2          1:C_28:H1*          3.100  4.100 50.00 50.00 1000.000

1:A_43:H2          1:U_27:H2*          3.500  19.00 50.00 50.00 1000.000

1:A_43:H2          1:C_28:H5           4.500  19.00 50.00 50.00 1000.000
1:A_43:H2          1:C_28:H6           4.500  19.00 50.00 50.00 1000.000

1:A_43:H1*         1:G_42:H2*          3.700  4.700 50.00 50.00 1000.000
1:A_43:H8          1:G_42:H8           3.500  4.500 50.00 50.00 1000.000

#NMR_dihedral

!alpha (-68) (-46)
!backbone, do not constrain turn residue 33
1:U_27:O3*         1:C_28:P           1:C_28:O5*         1:C_28:C5*         -98.000 -38.000 100.00 100.00 1000.000
1:C_28:O3*         1:A_29:P           1:A_29:O5*         1:A_29:C5*         -98.000 -38.000 100.00 100.00 1000.000
1:A_29:O3*         1:G_30:P           1:G_30:O5*         1:G_30:C5*         -98.000 -38.000 100.00 100.00 1000.000
1:G_30:O3*         1:A_31:P           1:A_31:O5*         1:A_31:C5*         -98.000 -38.000 100.00 100.00 1000.000
1:A_31:O3*         1:C_32:P           1:C_32:O5*         1:C_32:C5*        -138.000 -16.000 100.00 100.00 1000.000
1:C_32:O3*         1:U_33:P           1:U_33:O5*         1:U_33:C5*        -138.000 -16.000 100.00 100.00 1000.000 

1:U8U_34:O3*       1:U_35:P           1:U_35:O5*         1:U_35:C5*        -138.000 -16.000 100.00 100.00 1000.000
1:U_35:O3*         1:U_36:P           1:U_36:O5*         1:U_36:C5*        -138.000 -16.000 100.00 100.00 1000.000
1:U_36:O3*         1:T6A_37:P         1:T6A_37:O5*       1:T6A_37:C5*      -138.000 -16.000 100.00 100.00 1000.000
1:T6A_37:O3*       1:A_38:P           1:A_38:O5*         1:A_38:C5*        -138.000 -16.000 100.00 100.00 1000.000
1:A_38:O3*         1:PSU_39:P         1:PSU_39:O5*       1:PSU_39:C5*      -138.000 -16.000 100.00 100.00 1000.000
1:PSU_39:O3*       1:C_40:P           1:C_40:O5*         1:C_40:C5*        -138.000 -16.000 100.00 100.00 1000.000
1:C_40:O3*         1:U_41:P           1:U_41:O5*         1:U_41:C5*         -98.000 -38.000 100.00 100.00 1000.000
1:U_41:O3*         1:G_42:P           1:G_42:O5*         1:G_42:C5*         -98.000 -38.000 100.00 100.00 1000.000
1:G_42:O3*         1:A_43:P           1:A_43:O5*         1:A_43:C5*         -98.000 -38.000 100.00 100.00 1000.000

!beta (178) (-147)
1:C_28:P           1:C_28:O5*         1:C_28:C5*         1:C_28:C4*         148.000 -158.000 100.00 100.00 1000.000
1:A_29:P           1:A_29:O5*         1:A_29:C5*         1:A_29:C4*         148.000 -158.000 100.00 100.00 1000.000
1:G_30:P           1:G_30:O5*         1:G_30:C5*         1:G_30:C4*         148.000 -158.000 100.00 100.00 1000.000
1:A_31:P           1:A_31:O5*         1:A_31:C5*         1:A_31:C4*         148.000 -158.000 100.00 100.00 1000.000 
1:C_32:P           1:C_32:O5*         1:C_32:C5*         1:C_32:C4*         100.000 -117.000 100.00 100.00 1000.000 
1:U_33:P           1:U_33:O5*         1:U_33:C5*         1:U_33:C4*         100.000 -117.000 100.00 100.00 1000.000 

1:U_35:P           1:U_35:O5*         1:U_35:C5*         1:U_35:C4*         100.000 -117.000 100.00 100.00 1000.000
1:U_36:P           1:U_36:O5*         1:U_36:C5*         1:U_36:C4*         100.000 -117.000 100.00 100.00 1000.000
1:T6A_37:P         1:T6A_37:O5*       1:T6A_37:C5*       1:T6A_37:C4*       100.000 -117.000 100.00 100.00 1000.000
1:A_38:P           1:A_38:O5*         1:A_38:C5*         1:A_38:C4*         100.000 -117.000 100.00 100.00 1000.000

1:C_40:P           1:C_40:O5*         1:C_40:C5*         1:C_40:C4*         148.000 -158.000 100.00 100.00 1000.000
1:U_41:P           1:U_41:O5*         1:U_41:C5*         1:U_41:C4*         148.000 -158.000 100.00 100.00 1000.000
1:G_42:P           1:G_42:O5*         1:G_42:C5*         1:G_42:C4*         148.000 -158.000 100.00 100.00 1000.000
1:A_43:P           1:A_43:O5*         1:A_43:C5*         1:A_43:C4*         148.000 -158.000 100.00 100.00 1000.000

!gamma (54) (36)
1:U_27:O5*         1:U_27:C5*         1:U_27:C4*         1:U_27:C3*         24.000 84.000 100.00 100.00 1000.000
1:C_28:O5*         1:C_28:C5*         1:C_28:C4*         1:C_28:C3*         24.000 84.000 100.00 100.00 1000.000
1:A_29:O5*         1:A_29:C5*         1:A_29:C4*         1:A_29:C3*         24.000 84.000 100.00 100.00 1000.000
1:G_30:O5*         1:G_30:C5*         1:G_30:C4*         1:G_30:C3*         24.000 84.000 100.00 100.00 1000.000
1:A_31:O5*         1:A_31:C5*         1:A_31:C4*         1:A_31:C3*         24.000 84.000 100.00 100.00 1000.000
1:C_32:O5*         1:C_32:C5*         1:C_32:C4*         1:C_32:C3*          0.000 103.000 100.00 100.00 1000.000
1:U_33:O5*         1:U_33:C5*         1:U_33:C4*         1:U_33:C3*          0.000 103.000 100.00 100.00 1000.000

1:U_35:O5*         1:U_35:C5*         1:U_35:C4*         1:U_35:C3*          0.000 103.000 100.00 100.00 1000.000
1:U_36:O5*         1:U_36:C5*         1:U_36:C4*         1:U_36:C3*          0.000 103.000 100.00 100.00 1000.000
1:T6A_37:O5*       1:T6A_37:C5*       1:T6A_37:C4*       1:T6A_37:C3*        0.000 103.000 100.00 100.00 1000.000
1:A_38:O5*         1:A_38:C5*         1:A_38:C4*         1:A_38:C3*          0.000 103.000 100.00 100.00 1000.000

1:C_40:O5*         1:C_40:C5*         1:C_40:C4*         1:C_40:C3*         24.000 84.000 100.00 100.00 1000.000
1:U_41:O5*         1:U_41:C5*         1:U_41:C4*         1:U_41:C3*         24.000 84.000 100.00 100.00 1000.000
1:G_42:O5*         1:G_42:C5*         1:G_42:C4*         1:G_42:C3*         24.000 84.000 100.00 100.00 1000.000
1:A_43:O5*         1:A_43:C5*         1:A_43:C4*         1:A_43:C3*         24.000 84.000 100.00 100.00 1000.000

!delta (H3*-H4* coupling)
1:U_27:C5*         1:U_27:C4*         1:U_27:C3*         1:U_27:O3*         60.000 100.000 100.00 100.00 1000.000
1:C_28:C5*         1:C_28:C4*         1:C_28:C3*         1:C_28:O3*         60.000 100.000 100.00 100.00 1000.000
1:A_29:C5*         1:A_29:C4*         1:A_29:C3*         1:A_29:O3*         60.000 100.000 100.00 100.00 1000.000
1:G_30:C5*         1:G_30:C4*         1:G_30:C3*         1:G_30:O3*         60.000 100.000 100.00 100.00 1000.000
1:A_31:C5*         1:A_31:C4*         1:A_31:C3*         1:A_31:O3*         60.000 100.000 100.00 100.00 1000.000
1:C_32:C5*         1:C_32:C4*         1:C_32:C3*         1:C_32:O3*         60.000 100.000 100.00 100.00 1000.000

1:T6A_37:C5*       1:T6A_37:C4*       1:T6A_37:C3*       1:T6A_37:O3*       60.000 100.000 100.00 100.00 1000.000
1:A_38:C5*         1:A_38:C4*         1:A_38:C3*         1:A_38:O3*         60.000 100.000 100.00 100.00 1000.000
1:PSU_39:C5*       1:PSU_39:C4*       1:PSU_39:C3*       1:PSU_39:O3*       60.000 100.000 100.00 100.00 1000.000
1:C_40:C5*         1:C_40:C4*         1:C_40:C3*         1:C_40:O3*         60.000 100.000 100.00 100.00 1000.000
1:U_41:C5*         1:U_41:C4*         1:U_41:C3*         1:U_41:O3*         60.000 100.000 100.00 100.00 1000.000
1:G_42:C5*         1:G_42:C4*         1:G_42:C3*         1:G_42:O3*         60.000 100.000 100.00 100.00 1000.000
1:A_43:C5*         1:A_43:C4*         1:A_43:C3*         1:A_43:O3*         60.000 100.000 100.00 100.00 1000.000

!epsilon (-153) (155)
1:U_27:C4*         1:U_27:C3*         1:U_27:O3*         1:C_28:P           177.000 -123.000 100.00 100.00 1000.000
1:C_28:C4*         1:C_28:C3*         1:C_28:O3*         1:A_29:P           177.000 -123.000 100.00 100.00 1000.000
1:A_29:C4*         1:A_29:C3*         1:A_29:O3*         1:G_30:P           177.000 -123.000 100.00 100.00 1000.000
1:G_30:C4*         1:G_30:C3*         1:G_30:O3*         1:A_31:P           177.000 -123.000 100.00 100.00 1000.000
1:A_31:C4*         1:A_31:C3*         1:A_31:O3*         1:C_32:P           125.000 -89.000 100.00 100.00 1000.000 
1:C_32:C4*         1:C_32:C3*         1:C_32:O3*         1:U_33:P           125.000 -89.000 100.00 100.00 1000.000
1:U_33:C4*         1:U_33:C3*         1:U_33:O3*         1:U8U_34:P         125.000 -89.000 100.00 100.00 1000.000
1:U8U_34:C4*       1:U8U_34:C3*       1:U8U_34:O3*       1:U_35:P           125.000 -89.000 100.00 100.00 1000.000
1:U_35:C4*         1:U_35:C3*         1:U_35:O3*         1:U_36:P           125.000 -89.000 100.00 100.00 1000.000 
1:U_36:C4*         1:U_36:C3*         1:U_36:O3*         1:T6A_37:P         125.000 -89.000 100.00 100.00 1000.000 
1:T6A_37:C4*       1:T6A_37:C3*       1:T6A_37:O3*       1:A_38:P           125.000 -89.000 100.00 100.00 1000.000 
1:A_38:C4*         1:A_38:C3*         1:A_38:O3*         1:PSU_39:P         125.000 -89.000 100.00 100.00 1000.000 
1:PSU_39:C4*       1:PSU_39:C3*       1:PSU_39:O3*       1:C_40:P           177.000 -123.000 100.00 100.00 1000.000
1:C_40:C4*         1:C_40:C3*         1:C_40:O3*         1:U_41:P           177.000 -123.000 100.00 100.00 1000.000
1:U_41:C4*         1:U_41:C3*         1:U_41:O3*         1:G_42:P           177.000 -123.000 100.00 100.00 1000.000
1:G_42:C4*         1:G_42:C3*         1:G_42:O3*         1:A_43:P           177.000 -123.000 100.00 100.00 1000.000

!zeta (-71) (-96)
1:U_27:C3*         1:U_27:O3*         1:C_28:P           1:C_28:O5*         -101.000 -41.000 100.00 100.00 1000.000
1:C_28:C3*         1:C_28:O3*         1:A_29:P           1:A_29:O5*         -101.000 -41.000 100.00 100.00 1000.000
1:A_29:C3*         1:A_29:O3*         1:G_30:P           1:G_30:O5*         -101.000 -41.000 100.00 100.00 1000.000
1:G_30:C3*         1:G_30:O3*         1:A_31:P           1:A_31:O5*         -101.000 -41.000 100.00 100.00 1000.000
1:A_31:C3*         1:A_31:O3*         1:C_32:P           1:C_32:O5*         -126.000 -26.000 100.00 100.00 1000.000
1:C_32:C3*         1:C_32:O3*         1:U_33:P           1:U_33:O5*         -126.000 -26.000 100.00 100.00 1000.000

1:U8U_34:C3*       1:U8U_34:O3*       1:U_35:P           1:U_35:O5*         -126.000 -26.000 100.00 100.00 1000.000
1:U_35:C3*         1:U_35:O3*         1:U_36:P           1:U_36:O5*         -126.000 -26.000 100.00 100.00 1000.000
1:U_36:C3*         1:U_36:O3*         1:T6A_37:P         1:T6A_37:O5*       -126.000 -26.000 100.00 100.00 1000.000
1:T6A_37:C3*       1:T6A_37:O3*       1:A_38:P           1:A_38:O5*         -126.000 -26.000 100.00 100.00 1000.000
1:A_38:C3*         1:A_38:O3*         1:PSU_39:P         1:PSU_39:O5*       -126.000 -26.000 100.00 100.00 1000.000
1:PSU_39:C3*       1:PSU_39:O3*       1:C_40:P           1:C_40:O5*         -126.000 -26.000 100.00 100.00 1000.000
1:C_40:C3*         1:C_40:O3*         1:U_41:P           1:U_41:O5*         -101.000 -41.000 100.00 100.00 1000.000
1:U_41:C3*         1:U_41:O3*         1:G_42:P           1:G_42:O5*         -101.000 -41.000 100.00 100.00 1000.000
1:G_42:C3*         1:G_42:O3*         1:A_43:P           1:A_43:O5*         -101.000 -41.000 100.00 100.00 1000.000

!chi (-158) (-98)
1:U_27:O4*         1:U_27:C1*         1:U_27:N1          1:U_27:C2           90.000 -90.000 100.00 100.00 1000.000
1:C_28:O4*         1:C_28:C1*         1:C_28:N1          1:C_28:C2           90.000 -90.000 100.00 100.00 1000.000
1:A_29:O4*         1:A_29:C1*         1:A_29:N9          1:A_29:C4           90.000 -90.000 100.00 100.00 1000.000
1:G_30:O4*         1:G_30:C1*         1:G_30:N9          1:G_30:C4           90.000 -90.000 100.00 100.00 1000.000
1:A_31:O4*         1:A_31:C1*         1:A_31:N9          1:A_31:C4           90.000 -90.000 100.00 100.00 1000.000
1:C_32:O4*         1:C_32:C1*         1:C_32:N1          1:C_32:C2           90.000 -90.000 100.00 100.00 1000.000
1:U_33:O4*         1:U_33:C1*         1:U_33:N1          1:U_33:C2           90.000 -90.000 100.00 100.00 1000.000
1:U8U_34:O4*       1:U8U_34:C1*       1:U8U_34:N1        1:U8U_34:C2         90.000 -90.000 100.00 100.00 1000.000
1:U_35:O4*         1:U_35:C1*         1:U_35:N1          1:U_35:C2           90.000 -90.000 100.00 100.00 1000.000
1:U_36:O4*         1:U_36:C1*         1:U_36:N1          1:U_36:C2           90.000 -90.000 100.00 100.00 1000.000
1:T6A_37:O4*       1:T6A_37:C1*       1:T6A_37:N9        1:T6A_37:C4         90.000 -90.000 100.00 100.00 1000.000
1:A_38:O4*         1:A_38:C1*         1:A_38:N9          1:A_38:C4           90.000 -90.000 100.00 100.00 1000.000
1:PSU_39:O4*       1:PSU_39:C1*       1:PSU_39:C5        1:PSU_39:C4         90.000 -90.000 100.00 100.00 1000.000
1:C_40:O4*         1:C_40:C1*         1:C_40:N1          1:C_40:C2           90.000 -90.000 100.00 100.00 1000.000
1:U_41:O4*         1:U_41:C1*         1:U_41:N1          1:U_41:C2           90.000 -90.000 100.00 100.00 1000.000
1:G_42:O4*         1:G_42:C1*         1:G_42:N9          1:G_42:C4           90.000 -90.000 100.00 100.00 1000.000
1:A_43:O4*         1:A_43:C1*         1:A_43:N9          1:A_43:C4           90.000 -90.000 100.00 100.00 1000.000

!v1 (H1*-H2* coupling)
1:U_27:O4*         1:U_27:C1*         1:U_27:C2*         1:U_27:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:C_28:O4*         1:C_28:C1*         1:C_28:C2*         1:C_28:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:A_29:O4*         1:A_29:C1*         1:A_29:C2*         1:A_29:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:G_30:O4*         1:G_30:C1*         1:G_30:C2*         1:G_30:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:A_31:O4*         1:A_31:C1*         1:A_31:C2*         1:A_31:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:C_32:O4*         1:C_32:C1*         1:C_32:C2*         1:C_32:C3*         -46.000 -6.000 100.00 100.00 1000.000

1:T6A_37:O4*       1:T6A_37:C1*       1:T6A_37:C2*       1:T6A_37:C3*       -46.000 -6.000 100.00 100.00 1000.000
1:A_38:O4*         1:A_38:C1*         1:A_38:C2*         1:A_38:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:PSU_39:O4*       1:PSU_39:C1*       1:PSU_39:C2*       1:PSU_39:C3*       -46.000 -6.000 100.00 100.00 1000.000
1:C_40:O4*         1:C_40:C1*         1:C_40:C2*         1:C_40:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:U_41:O4*         1:U_41:C1*         1:U_41:C2*         1:U_41:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:G_42:O4*         1:G_42:C1*         1:G_42:C2*         1:G_42:C3*         -46.000 -6.000 100.00 100.00 1000.000
1:A_43:O4*         1:A_43:C1*         1:A_43:C2*         1:A_43:C3*         -46.000 -6.000 100.00 100.00 1000.000

!v0
1:U_27:C4*         1:U_27:O4*         1:U_27:C1*         1:U_27:C2*         -14.000 26.000 100.00 100.00 1000.000
1:C_28:C4*         1:C_28:O4*         1:C_28:C1*         1:C_28:C2*         -14.000 26.000 100.00 100.00 1000.000
1:A_29:C4*         1:A_29:O4*         1:A_29:C1*         1:A_29:C2*         -14.000 26.000 100.00 100.00 1000.000
1:G_30:C4*         1:G_30:O4*         1:G_30:C1*         1:G_30:C2*         -14.000 26.000 100.00 100.00 1000.000
1:A_31:C4*         1:A_31:O4*         1:A_31:C1*         1:A_31:C2*         -14.000 26.000 100.00 100.00 1000.000
1:C_32:C4*         1:C_32:O4*         1:C_32:C1*         1:C_32:C2*         -14.000 26.000 100.00 100.00 1000.000

1:T6A_37:C4*       1:T6A_37:O4*       1:T6A_37:C1*       1:T6A_37:C2*       -14.000 26.000 100.00 100.00 1000.000
1:A_38:C4*         1:A_38:O4*         1:A_38:C1*         1:A_38:C2*         -14.000 26.000 100.00 100.00 1000.000
1:PSU_39:C4*       1:PSU_39:O4*       1:PSU_39:C1*       1:PSU_39:C2*       -14.000 26.000 100.00 100.00 1000.000
1:C_40:C4*         1:C_40:O4*         1:C_40:C1*         1:C_40:C2*         -14.000 26.000 100.00 100.00 1000.000
1:U_41:C4*         1:U_41:O4*         1:U_41:C1*         1:U_41:C2*         -14.000 26.000 100.00 100.00 1000.000
1:G_42:C4*         1:G_42:O4*         1:G_42:C1*         1:G_42:C2*         -14.000 26.000 100.00 100.00 1000.000
1:A_43:C4*         1:A_43:O4*         1:A_43:C1*         1:A_43:C2*         -14.000 26.000 100.00 100.00 1000.000

!v2
1:U_27:C1*         1:U_27:C2*         1:U_27:C3*         1:U_27:C4*          17.000 57.000 100.00 100.00 1000.000
1:C_28:C1*         1:C_28:C2*         1:C_28:C3*         1:C_28:C4*          17.000 57.000 100.00 100.00 1000.000
1:A_29:C1*         1:A_29:C2*         1:A_29:C3*         1:A_29:C4*          17.000 57.000 100.00 100.00 1000.000
1:G_30:C1*         1:G_30:C2*         1:G_30:C3*         1:G_30:C4*          17.000 57.000 100.00 100.00 1000.000
1:A_31:C1*         1:A_31:C2*         1:A_31:C3*         1:A_31:C4*          17.000 57.000 100.00 100.00 1000.000
1:C_32:C1*         1:C_32:C2*         1:C_32:C3*         1:C_32:C4*          17.000 57.000 100.00 100.00 1000.000

1:T6A_37:C1*       1:T6A_37:C2*       1:T6A_37:C3*       1:T6A_37:C4*        17.000 57.000 100.00 100.00 1000.000
1:A_38:C1*         1:A_38:C2*         1:A_38:C3*         1:A_38:C4*          17.000 57.000 100.00 100.00 1000.000
1:PSU_39:C1*       1:PSU_39:C2*       1:PSU_39:C3*       1:PSU_39:C4*        17.000 57.000 100.00 100.00 1000.000
1:C_40:C1*         1:C_40:C2*         1:C_40:C3*         1:C_40:C4*          17.000 57.000 100.00 100.00 1000.000
1:U_41:C1*         1:U_41:C2*         1:U_41:C3*         1:U_41:C4*          17.000 57.000 100.00 100.00 1000.000
1:G_42:C1*         1:G_42:C2*         1:G_42:C3*         1:G_42:C4*          17.000 57.000 100.00 100.00 1000.000
1:A_43:C1*         1:A_43:C2*         1:A_43:C3*         1:A_43:C4*          17.000 57.000 100.00 100.00 1000.000

!v4
1:U_27:C3*         1:U_27:C4*         1:U_27:O4*         1:U_27:C1*          -3.000 37.000 100.00 100.00 1000.000
1:C_28:C3*         1:C_28:C4*         1:C_28:O4*         1:C_28:C1*          -3.000 37.000 100.00 100.00 1000.000
1:A_29:C3*         1:A_29:C4*         1:A_29:O4*         1:A_29:C1*          -3.000 37.000 100.00 100.00 1000.000
1:G_30:C3*         1:G_30:C4*         1:G_30:O4*         1:G_30:C1*          -3.000 37.000 100.00 100.00 1000.000
1:A_31:C3*         1:A_31:C4*         1:A_31:O4*         1:A_31:C1*          -3.000 37.000 100.00 100.00 1000.000
1:C_32:C3*         1:C_32:C4*         1:C_32:O4*         1:C_32:C1*          -3.000 37.000 100.00 100.00 1000.000

1:T6A_37:C3*       1:T6A_37:C4*       1:T6A_37:O4*       1:T6A_37:C1*        -3.000 37.000 100.00 100.00 1000.000
1:A_38:C3*         1:A_38:C4*         1:A_38:O4*         1:A_38:C1*          -3.000 37.000 100.00 100.00 1000.000
1:PSU_39:C3*       1:PSU_39:C4*       1:PSU_39:O4*       1:PSU_39:C1*        -3.000 37.000 100.00 100.00 1000.000
1:C_40:C3*         1:C_40:C4*         1:C_40:O4*         1:C_40:C1*          -3.000 37.000 100.00 100.00 1000.000
1:U_41:C3*         1:U_41:C4*         1:U_41:O4*         1:U_41:C1*          -3.000 37.000 100.00 100.00 1000.000
1:G_42:C3*         1:G_42:C4*         1:G_42:O4*         1:G_42:C1*          -3.000 37.000 100.00 100.00 1000.000
1:A_43:C3*         1:A_43:C4*         1:A_43:O4*         1:A_43:C1*          -3.000 37.000 100.00 100.00 1000.000


!T6A side chain restraints for planarity
1:T6A_37:C6        1:T6A_37:N6        1:T6A_37:C10       1:T6A_37:N11        -0.250  0.250 1000.00 1000.00 1000.000
1:T6A_37:C5        1:T6A_37:C6        1:T6A_37:N6        1:T6A_37:HN6        -0.250  0.250 1000.00 1000.00 1000.000
1:T6A_37:C10       1:T6A_37:N6        1:T6A_37:C6        1:T6A_37:N1         -0.250  0.250 1000.00 1000.00 1000.000

!T6A side chain restraint to account for very weak HA-HB coupling 
1:T6A_37:H12       1:T6A_37:C12       1:T6A_37:C14       1:T6A_37:H14       -93.000 -87.00 1000.00 1000.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    U  27          1H5*        U  27   1.084  -6.676   3.982
    2   2H5*    U  27          2H5*        U  27   1.508  -7.154   5.641
    3    H4*    U  27           H4*        U  27   3.387  -5.981   4.503
    4    H3*    U  27           H3*        U  27   2.119  -4.399   6.773
    5   2HO*    U  27          2HO*        U  27   5.754  -3.663   5.141
    6    H1*    U  27           H1*        U  27   4.062  -3.314   3.707
    7    H3     U  27           H3         U  27   3.488   1.203   4.412
    8    H5     U  27           H5         U  27  -0.140  -0.497   5.674
    9    H6     U  27           H6         U  27   0.814  -2.655   5.375
   10    H5T    U  27           H5T        U  27   0.042  -4.844   4.881
   11   1H2*    U  27          1H2*        U  27   4.028  -2.964   6.518
   12   1H5*    C  28          1H5*        C  28   6.531  -5.606   7.345
   13   2H5*    C  28          2H5*        C  28   6.808  -5.772   9.090
   14    H4*    C  28           H4*        C  28   8.508  -4.323   7.885
   15    H3*    C  28           H3*        C  28   6.796  -3.043  10.048
   16   2HO*    C  28          2HO*        C  28  10.175  -2.754   9.522
   17    H1*    C  28           H1*        C  28   8.419  -1.392   7.056
   18   1H4     C  28          1H4         C  28   3.095   2.215   8.910
   19   2H4     C  28          2H4         C  28   4.362   3.370   8.564
   20    H5     C  28           H5         C  28   3.479  -0.214   8.928
   21    H6     C  28           H6         C  28   5.079  -1.933   8.566
   22   1H2*    C  28          1H2*        C  28   8.354  -1.178   9.849
   23   1H5*    A  29          1H5*        A  29  10.959  -2.266  11.343
   24   2H5*    A  29          2H5*        A  29  10.920  -2.384  13.113
   25    H4*    A  29           H4*        A  29  11.737  -0.161  12.241
   26    H3*    A  29           H3*        A  29   9.188  -0.200  13.891
   27   2HO*    A  29          2HO*        A  29  11.896   1.855  12.599
   28    H1*    A  29           H1*        A  29  10.081   2.354  11.227
   29    H8     A  29           H8         A  29   7.345  -0.243  11.977
   30   1H6     A  29          1H6         A  29   3.346   4.451  11.450
   31   2H6     A  29          2H6         A  29   3.511   2.717  11.617
   32    H2     A  29           H2         A  29   7.490   6.126  11.364
   33   1H2*    A  29          1H2*        A  29   9.386   2.215  13.903
   34   1H5*    G  30          1H5*        G  30  12.073   2.606  15.748
   35   2H5*    G  30          2H5*        G  30  11.839   2.530  17.504
   36    H4*    G  30           H4*        G  30  11.571   4.845  16.492
   37    H3*    G  30           H3*        G  30   9.216   3.581  17.926
   38   2HO*    G  30          2HO*        G  30  10.670   6.678  16.678
   39    H1*    G  30           H1*        G  30   8.994   6.150  15.150
   40    H8     G  30           H8         G  30   7.855   2.557  15.897
   41    H1     G  30           H1         G  30   3.073   6.673  14.812
   42   1H2     G  30          1H2         G  30   5.546   9.120  14.935
   43   2H2     G  30          2H2         G  30   3.846   8.753  14.746
   44   1H2*    G  30          1H2*        G  30   8.197   5.780  17.775
   45   1H5*    A  31          1H5*        A  31  10.123   7.498  19.781
   46   2H5*    A  31          2H5*        A  31   9.872   7.331  21.529
   47    H4*    A  31           H4*        A  31   8.551   9.213  20.453
   48    H3*    A  31           H3*        A  31   7.044   6.952  21.813
   49   2HO*    A  31          2HO*        A  31   5.440  10.515  20.687
   50    H1*    A  31           H1*        A  31   5.757   9.104  18.961
   51    H8     A  31           H8         A  31   6.496   5.405  19.615
   52   1H6     A  31          1H6         A  31   0.517   4.384  18.402
   53   2H6     A  31          2H6         A  31   2.072   3.638  18.698
   54    H2     A  31           H2         A  31   1.165   8.804  18.609
   55   1H2*    A  31          1H2*        A  31   5.095   8.394  21.549
   56   1H5*    C  32          1H5*        C  32   5.467  10.402  23.609
   57   2H5*    C  32          2H5*        C  32   5.414  10.170  25.366
   58    H4*    C  32           H4*        C  32   3.165  10.719  24.374
   59    H3*    C  32           H3*        C  32   3.464   7.965  25.643
   60   2HO*    C  32          2HO*        C  32   0.656   9.993  25.995
   61    H1*    C  32           H1*        C  32   1.130   8.986  22.825
   62   1H4     C  32          1H4         C  32   0.689   2.625  22.131
   63   2H4     C  32          2H4         C  32   2.433   2.492  22.147
   64    H5     C  32           H5         C  32   3.907   4.396  22.652
   65    H6     C  32           H6         C  32   3.989   6.706  23.168
   66   1H2*    C  32          1H2*        C  32   1.085   7.805  25.361
   67   1H5*    U  33          1H5*        U  33   1.004   8.608  28.420
   68   2H5*    U  33          2H5*        U  33   1.765   8.632  30.026
   69    H4*    U  33           H4*        U  33   0.087   6.806  29.837
   70    H3*    U  33           H3*        U  33   2.973   5.839  30.003
   71   2HO*    U  33          2HO*        U  33  -0.218   3.449  30.639
   72    H1*    U  33           H1*        U  33  -0.185   4.288  28.523
   73    H3     U  33           H3         U  33   1.858   0.571  26.755
   74    H5     U  33           H5         U  33   4.320   3.790  25.640
   75    H6     U  33           H6         U  33   3.074   5.197  27.074
   76   1H2*    U  33          1H2*        U  33   2.047   3.669  30.191
   77    HN3  U8U  34           HN3      U8U  34  -5.215   0.696  33.471
   78    H6   U8U  34           H6       U8U  34  -1.424   3.566  32.868
   79   1HC   U8U  34          1HC       U8U  34  -4.686   5.201  32.481
   80   2HC   U8U  34          2HC       U8U  34  -3.000   5.510  32.903
   81   1HN   U8U  34          1HN       U8U  34  -3.913   4.322  30.379
   82   1HA   U8U  34          1HA       U8U  34  -2.898   7.029  30.887
   83   2HA   U8U  34          2HA       U8U  34  -3.201   6.313  29.289
   84   3HA   U8U  34          3HA       U8U  34  -4.555   6.607  30.397
   85    H1*  U8U  34           H1*      U8U  34  -0.796   0.400  34.704
   86    H2*  U8U  34           H2*      U8U  34  -0.635   0.577  31.778
   87   2HO*  U8U  34          2HO*      U8U  34   0.907  -1.221  32.424
   88    H3*  U8U  34           H3*      U8U  34   1.199   1.976  31.784
   89    H4*  U8U  34           H4*      U8U  34   1.823   1.146  34.634
   90   1H5*  U8U  34          1H5*      U8U  34   2.324   3.540  34.936
   91   2H5*  U8U  34          2H5*      U8U  34   3.324   2.839  33.640
   92    2HN  U8U  34           2HN      U8U  34  -2.361   4.688  30.771
   93   1H5*    U  35          1H5*        U  35   1.064  -2.726  31.337
   94   2H5*    U  35          2H5*        U  35   1.648  -2.657  29.663
   95    H4*    U  35           H4*        U  35  -0.602  -3.729  29.867
   96    H3*    U  35           H3*        U  35  -0.458  -1.116  28.325
   97   2HO*    U  35          2HO*        U  35  -2.124  -4.274  28.546
   98    H1*    U  35           H1*        U  35  -3.173  -3.089  30.084
   99    H3     U  35           H3         U  35  -6.685  -0.086  30.196
  100    H5     U  35           H5         U  35  -3.289   2.365  29.869
  101    H6     U  35           H6         U  35  -1.946   0.390  29.702
  102   1H2*    U  35          1H2*        U  35  -2.679  -1.621  27.647
  103   1H5*    U  36          1H5*        U  36  -1.745  -4.461  25.572
  104   2H5*    U  36          2H5*        U  36  -1.142  -4.054  23.954
  105    H4*    U  36           H4*        U  36  -3.650  -4.463  24.078
  106    H3*    U  36           H3*        U  36  -2.639  -1.737  23.198
  107   2HO*    U  36          2HO*        U  36  -5.429  -4.027  23.126
  108    H1*    U  36           H1*        U  36  -5.931  -2.650  24.875
  109    H3     U  36           H3         U  36  -7.184   1.748  25.423
  110    H5     U  36           H5         U  36  -3.030   1.787  26.045
  111    H6     U  36           H6         U  36  -2.952  -0.496  25.389
  112   1H2*    U  36          1H2*        U  36  -4.936  -1.259  22.640
  113   1H5*  T6A  37          1H5*      T6A  37  -4.765  -2.777  18.463
  114   2H5*  T6A  37          2H5*      T6A  37  -5.339  -3.418  20.020
  115    H4*  T6A  37           H4*      T6A  37  -7.209  -2.227  19.120
  116    H3*  T6A  37           H3*      T6A  37  -5.145  -0.133  18.415
  117    H2*  T6A  37           H2*      T6A  37  -6.727   1.577  18.820
  118   *HO2  T6A  37          *HO2      T6A  37  -8.743  -0.469  18.576
  119    H1*  T6A  37           H1*      T6A  37  -8.233   0.194  20.784
  120    H8   T6A  37           H8       T6A  37  -4.431   0.645  21.031
  121    H2   T6A  37           H2       T6A  37  -9.669   4.248  22.414
  122    HN6  T6A  37           HN6      T6A  37  -4.363   4.891  23.280
  123    HN1  T6A  37           HN1      T6A  37  -7.574   6.460  23.728
  124    H12  T6A  37           H12      T6A  37  -6.286   9.004  24.110
  125    H14  T6A  37           H14      T6A  37  -8.548   9.539  25.352
  126    HO4  T6A  37           HO4      T6A  37 -10.114   7.957  24.890
  127   1H15  T6A  37          1H15      T6A  37  -8.527   8.525  22.467
  128   2H15  T6A  37          2H15      T6A  37  -9.810   9.516  23.192
  129   3H15  T6A  37          3H15      T6A  37  -8.184  10.196  22.985
  130   1H5*    A  38          1H5*        A  38  -8.864   1.194  16.031
  131   2H5*    A  38          2H5*        A  38  -8.030   1.937  14.656
  132    H4*    A  38           H4*        A  38  -9.549   3.477  16.075
  133    H3*    A  38           H3*        A  38  -6.635   4.156  15.556
  134   2HO*    A  38          2HO*        A  38  -9.367   6.287  15.461
  135    H1*    A  38           H1*        A  38  -8.625   5.239  18.590
  136    H8     A  38           H8         A  38  -5.426   3.294  17.618
  137   1H6     A  38          1H6         A  38  -2.264   5.831  20.272
  138   2H6     A  38          2H6         A  38  -2.382   7.318  21.186
  139    H2     A  38           H2         A  38  -6.613   8.708  20.815
  140   1H2*    A  38          1H2*        A  38  -7.206   6.327  16.508
  141    HN1  PSU  39           HN1      PSU  39  -2.343   5.079  15.266
  142    HN3  PSU  39           HN3      PSU  39  -0.486   7.604  17.926
  143    H6   PSU  39           H6       PSU  39  -4.178   6.655  15.023
  144    H1*  PSU  39           H1*      PSU  39  -4.646   9.637  17.146
  145    H2*  PSU  39           H2*      PSU  39  -3.204   9.742  14.698
  146   *HO2  PSU  39          *HO2      PSU  39  -3.814  11.495  16.118
  147    H3*  PSU  39           H3*      PSU  39  -4.865   8.651  13.390
  148    H4*  PSU  39           H4*      PSU  39  -7.001   9.828  15.179
  149   1H5*  PSU  39          1H5*      PSU  39  -8.188   7.802  14.708
  150   2H5*  PSU  39          2H5*      PSU  39  -7.547   8.348  13.141
  151   1H5*    C  40          1H5*        C  40  -3.643  13.062  13.812
  152   2H5*    C  40          2H5*        C  40  -3.001  13.314  12.179
  153    H4*    C  40           H4*        C  40  -1.337  13.694  14.100
  154    H3*    C  40           H3*        C  40  -0.796  11.721  11.860
  155   2HO*    C  40          2HO*        C  40   0.712  13.789  14.391
  156    H1*    C  40           H1*        C  40   0.530  11.753  15.428
  157   1H4     C  40          1H4         C  40   0.452   5.347  13.479
  158   2H4     C  40          2H4         C  40   1.907   5.548  14.430
  159    H5     C  40           H5         C  40  -1.001   7.231  12.858
  160    H6     C  40           H6         C  40  -1.351   9.574  13.080
  161   1H2*    C  40          1H2*        C  40   1.436  11.562  12.758
  162   1H5*    U  41          1H5*        U  41   2.619  14.578  11.945
  163   2H5*    U  41          2H5*        U  41   2.974  14.946  10.245
  164    H4*    U  41           H4*        U  41   4.982  14.114  11.502
  165    H3*    U  41           H3*        U  41   3.947  12.342   9.252
  166   2HO*    U  41          2HO*        U  41   7.571  11.987  11.039
  167    H1*    U  41           H1*        U  41   5.873  11.320  12.350
  168    H3     U  41           H3         U  41   5.391   6.866  11.310
  169    H5     U  41           H5         U  41   1.695   8.579  10.279
  170    H6     U  41           H6         U  41   2.620  10.720  10.679
  171   1H2*    U  41          1H2*        U  41   6.011  11.120   9.565
  172   1H5*    G  42          1H5*        G  42   8.163  13.141   8.397
  173   2H5*    G  42          2H5*        G  42   8.284  13.345   6.637
  174    H4*    G  42           H4*        G  42   9.789  11.552   7.508
  175    H3*    G  42           H3*        G  42   7.530  10.644   5.685
  176   2HO*    G  42          2HO*        G  42  10.747   9.775   7.141
  177    H1*    G  42           H1*        G  42   9.170   8.555   8.385
  178    H8     G  42           H8         G  42   5.729   9.951   7.330
  179    H1     G  42           H1         G  42   5.934   3.592   8.051
  180   1H2     G  42          1H2         G  42   9.367   4.041   8.413
  181   2H2     G  42          2H2         G  42   8.026   2.919   8.366
  182   1H2*    G  42          1H2*        G  42   8.659   8.513   5.666
  183   1H5*    A  43          1H5*        A  43  11.301   9.170   3.955
  184   2H5*    A  43          2H5*        A  43  11.130   9.332   2.196
  185    H4*    A  43           H4*        A  43  11.707   7.003   2.893
  186    H3*    A  43           H3*        A  43   8.955   7.375   1.639
  187   2HO*    A  43          2HO*        A  43  11.121   4.731   0.919
  188    H1*    A  43           H1*        A  43   9.976   4.677   4.106
  189    H8     A  43           H8         A  43   7.433   7.554   3.666
  190   1H6     A  43          1H6         A  43   3.106   3.338   5.011
  191   2H6     A  43          2H6         A  43   3.417   5.035   4.718
  192    H2     A  43           H2         A  43   7.037   1.241   4.645
  193    H3T    A  43           H3T        A  43  10.824   7.965   0.379
  194   1H2*    A  43          1H2*        A  43   8.909   4.965   1.565
  Start of MODEL    2
    1   1H5*    U  27          1H5*        U  27   2.352  -7.330   3.538
    2   2H5*    U  27          2H5*        U  27   2.371  -7.806   5.251
    3    H4*    U  27           H4*        U  27   4.325  -6.371   4.648
    4    H3*    U  27           H3*        U  27   2.310  -5.080   6.527
    5   2HO*    U  27          2HO*        U  27   5.759  -5.179   5.591
    6    H1*    U  27           H1*        U  27   4.911  -3.743   4.096
    7    H3     U  27           H3         U  27   3.849   0.744   4.197
    8    H5     U  27           H5         U  27   0.156  -1.179   4.760
    9    H6     U  27           H6         U  27   1.310  -3.265   4.860
   10    H5*    U  27           H5*        U  27   0.316  -7.073   4.550
   11   1H2*    U  27          1H2*        U  27   3.906  -3.346   6.757
   12   1H5*    C  28          1H5*        C  28   6.615  -5.877   8.144
   13   2H5*    C  28          2H5*        C  28   6.501  -5.996   9.910
   14    H4*    C  28           H4*        C  28   8.303  -4.401   9.063
   15    H3*    C  28           H3*        C  28   6.054  -3.300  10.782
   16   2HO*    C  28          2HO*        C  28   9.522  -1.363   9.922
   17    H1*    C  28           H1*        C  28   8.151  -1.524   8.167
   18   1H4     C  28          1H4         C  28   2.262   1.633   8.643
   19   2H4     C  28          2H4         C  28   3.473   2.888   8.501
   20    H5     C  28           H5         C  28   2.835  -0.746   8.876
   21    H6     C  28           H6         C  28   4.615  -2.322   8.952
   22   1H2*    C  28          1H2*        C  28   7.410  -1.280  10.861
   23   1H5*    A  29          1H5*        A  29  10.164  -2.622  12.564
   24   2H5*    A  29          2H5*        A  29   9.993  -2.547  14.328
   25    H4*    A  29           H4*        A  29  11.123  -0.526  13.268
   26    H3*    A  29           H3*        A  29   8.544  -0.143  14.820
   27   2HO*    A  29          2HO*        A  29  11.488   1.487  13.427
   28    H1*    A  29           H1*        A  29   9.762   2.051  11.978
   29    H8     A  29           H8         A  29   6.737  -0.125  13.009
   30   1H6     A  29          1H6         A  29   3.309   4.898  11.877
   31   2H6     A  29          2H6         A  29   3.274   3.190  12.257
   32    H2     A  29           H2         A  29   7.620   6.050  11.582
   33   1H2*    A  29          1H2*        A  29   9.013   2.233  14.632
   34   1H5*    G  30          1H5*        G  30  11.654   2.525  16.510
   35   2H5*    G  30          2H5*        G  30  11.368   2.646  18.255
   36    H4*    G  30           H4*        G  30  11.376   4.864  17.012
   37    H3*    G  30           H3*        G  30   8.863   4.004  18.486
   38   2HO*    G  30          2HO*        G  30  10.491   7.003  18.383
   39    H1*    G  30           H1*        G  30   8.965   6.294  15.478
   40    H8     G  30           H8         G  30   7.456   2.921  16.508
   41    H1     G  30           H1         G  30   3.126   7.401  15.032
   42   1H2     G  30          1H2         G  30   5.835   9.587  14.994
   43   2H2     G  30          2H2         G  30   4.109   9.377  14.804
   44   1H2*    G  30          1H2*        G  30   8.130   6.306  18.113
   45   1H5*    A  31          1H5*        A  31   9.852   7.995  20.048
   46   2H5*    A  31          2H5*        A  31   9.614   7.895  21.804
   47    H4*    A  31           H4*        A  31   8.313   9.753  20.715
   48    H3*    A  31           H3*        A  31   6.737   7.521  22.053
   49   2HO*    A  31          2HO*        A  31   5.219  11.107  20.894
   50    H1*    A  31           H1*        A  31   5.547   9.684  19.165
   51    H8     A  31           H8         A  31   6.257   5.988  19.809
   52   1H6     A  31          1H6         A  31   0.286   4.989  18.530
   53   2H6     A  31          2H6         A  31   1.836   4.237  18.837
   54    H2     A  31           H2         A  31   0.943   9.406  18.776
   55   1H2*    A  31          1H2*        A  31   4.825   8.988  21.741
   56   1H5*    C  32          1H5*        C  32   5.040  10.811  23.792
   57   2H5*    C  32          2H5*        C  32   5.019  10.602  25.551
   58    H4*    C  32           H4*        C  32   2.739  11.006  24.640
   59    H3*    C  32           H3*        C  32   3.186   8.204  25.766
   60   2HO*    C  32          2HO*        C  32   0.714  10.675  24.916
   61    H1*    C  32           H1*        C  32   0.784   9.299  23.020
   62   1H4     C  32          1H4         C  32   0.566   3.013  21.767
   63   2H4     C  32          2H4         C  32   2.314   2.949  21.739
   64    H5     C  32           H5         C  32   3.724   4.857  22.383
   65    H6     C  32           H6         C  32   3.731   7.115  23.104
   66   1H2*    C  32          1H2*        C  32   0.862   7.873  25.445
   67   1H5*    U  33          1H5*        U  33   0.800   8.392  28.633
   68   2H5*    U  33          2H5*        U  33   1.628   8.334  30.206
   69    H4*    U  33           H4*        U  33   0.170   6.347  29.867
   70    H3*    U  33           H3*        U  33   3.153   5.722  29.810
   71   2HO*    U  33          2HO*        U  33  -0.069   4.384  30.556
   72    H1*    U  33           H1*        U  33   0.093   4.002  28.307
   73    H3     U  33           H3         U  33   2.379   0.714  26.030
   74    H5     U  33           H5         U  33   4.487   4.255  25.204
   75    H6     U  33           H6         U  33   3.176   5.373  26.826
   76   1H2*    U  33          1H2*        U  33   2.511   3.459  29.747
   77    HN3  U8U  34           HN3      U8U  34  -4.136  -0.690  33.189
   78    H6   U8U  34           H6       U8U  34  -0.730   2.646  32.699
   79   1HC   U8U  34          1HC       U8U  34  -4.159   3.943  32.853
   80   2HC   U8U  34          2HC       U8U  34  -2.482   4.367  33.210
   81   1HN   U8U  34          1HN       U8U  34  -3.484   3.498  30.592
   82   1HA   U8U  34          1HA       U8U  34  -4.313   5.682  31.038
   83   2HA   U8U  34          2HA       U8U  34  -2.657   6.179  31.457
   84   3HA   U8U  34          3HA       U8U  34  -3.049   5.690  29.793
   85    H1*  U8U  34           H1*      U8U  34   0.400  -0.664  33.948
   86    H2*  U8U  34           H2*      U8U  34   0.241   0.005  31.086
   87   2HO*  U8U  34          2HO*      U8U  34   1.865  -1.753  32.688
   88    H3*  U8U  34           H3*      U8U  34   1.972   1.506  31.150
   89    H4*  U8U  34           H4*      U8U  34   2.911   0.397  33.807
   90   1H5*  U8U  34          1H5*      U8U  34   3.178   2.773  34.392
   91   2H5*  U8U  34          2H5*      U8U  34   4.107   2.381  32.924
   92   2HN   U8U  34          2HN       U8U  34  -1.942   3.949  30.934
   93   1H5*    U  35          1H5*        U  35   2.209  -3.008  30.034
   94   2H5*    U  35          2H5*        U  35   2.624  -2.673  28.342
   95    H4*    U  35           H4*        U  35   0.495  -3.957  28.567
   96    H3*    U  35           H3*        U  35   0.244  -1.146  27.444
   97   2HO*    U  35          2HO*        U  35  -2.530  -4.054  26.943
   98    H1*    U  35           H1*        U  35  -2.056  -3.649  29.123
   99    H3     U  35           H3         U  35  -5.827  -1.136  30.041
  100    H5     U  35           H5         U  35  -2.776   1.734  29.703
  101    H6     U  35           H6         U  35  -1.258  -0.028  29.133
  102   1H2*    U  35          1H2*        U  35  -1.987  -1.800  26.905
  103   1H5*    U  36          1H5*        U  36  -0.989  -4.259  24.366
  104   2H5*    U  36          2H5*        U  36  -0.647  -3.568  22.768
  105    H4*    U  36           H4*        U  36  -3.061  -4.329  23.112
  106    H3*    U  36           H3*        U  36  -2.500  -1.406  22.501
  107   2HO*    U  36          2HO*        U  36  -6.144  -3.197  22.299
  108    H1*    U  36           H1*        U  36  -5.420  -2.933  24.393
  109    H3     U  36           H3         U  36  -7.106   1.190  25.546
  110    H5     U  36           H5         U  36  -2.941   1.678  25.798
  111    H6     U  36           H6         U  36  -2.672  -0.484  24.855
  112   1H2*    U  36          1H2*        U  36  -4.915  -1.238  22.219
  113   1H5*  T6A  37          1H5*      T6A  37  -4.953  -2.088  17.944
  114   2H5*  T6A  37          2H5*      T6A  37  -5.354  -2.876  19.487
  115    H4*  T6A  37           H4*      T6A  37  -7.347  -1.721  18.830
  116    H3*  T6A  37           H3*      T6A  37  -5.471   0.575  18.209
  117    H2*  T6A  37           H2*      T6A  37  -7.232   2.090  18.791
  118   *HO2  T6A  37          *HO2      T6A  37  -8.985  -0.188  18.580
  119    H1*  T6A  37           H1*      T6A  37  -8.374   0.474  20.792
  120    H8   T6A  37           H8       T6A  37  -4.611   1.012  20.935
  121    H2   T6A  37           H2       T6A  37  -9.837   4.624  22.336
  122    HN6  T6A  37           HN6      T6A  37  -4.529   5.239  23.212
  123    HN1  T6A  37           HN1      T6A  37  -7.732   6.826  23.659
  124    H12  T6A  37           H12      T6A  37  -6.424   9.358  24.079
  125    H14  T6A  37           H14      T6A  37  -8.693   9.895  25.308
  126    HO4  T6A  37           HO4      T6A  37  -9.210   7.362  24.162
  127   1H15  T6A  37          1H15      T6A  37  -8.299  10.596  22.965
  128   2H15  T6A  37          2H15      T6A  37  -8.626   8.937  22.404
  129   3H15  T6A  37          3H15      T6A  37  -9.927   9.910  23.125
  130   1H5*    A  38          1H5*        A  38  -9.216   1.959  16.246
  131   2H5*    A  38          2H5*        A  38  -8.545   2.730  14.797
  132    H4*    A  38           H4*        A  38  -9.875   4.280  16.328
  133    H3*    A  38           H3*        A  38  -6.960   4.873  15.713
  134   2HO*    A  38          2HO*        A  38  -9.598   7.478  17.389
  135    H1*    A  38           H1*        A  38  -8.827   5.929  18.841
  136    H8     A  38           H8         A  38  -5.753   3.836  17.860
  137   1H6     A  38          1H6         A  38  -2.449   7.760  21.310
  138   2H6     A  38          2H6         A  38  -2.422   6.251  20.426
  139    H2     A  38           H2         A  38  -6.599   9.380  20.941
  140   1H2*    A  38          1H2*        A  38  -7.416   7.032  16.751
  141    HN1  PSU  39           HN1      PSU  39  -2.760   5.647  15.575
  142    HN3  PSU  39           HN3      PSU  39  -0.753   8.200  18.096
  143    H6   PSU  39           H6       PSU  39  -4.532   7.287  15.294
  144    H1*  PSU  39           H1*      PSU  39  -4.841  10.369  17.301
  145    H2*  PSU  39           H2*      PSU  39  -3.417  10.338  14.844
  146   *HO2  PSU  39          *HO2      PSU  39  -5.502  12.074  15.816
  147    H3*  PSU  39           H3*      PSU  39  -5.125   9.252  13.590
  148    H4*  PSU  39           H4*      PSU  39  -7.202  10.589  15.340
  149   1H5*  PSU  39          1H5*      PSU  39  -8.443   8.537  14.987
  150   2H5*  PSU  39          2H5*      PSU  39  -7.887   9.097  13.392
  151   1H5*    C  40          1H5*        C  40  -3.628  13.548  13.806
  152   2H5*    C  40          2H5*        C  40  -3.063  13.719  12.134
  153    H4*    C  40           H4*        C  40  -1.267  14.076  13.906
  154    H3*    C  40           H3*        C  40  -0.953  11.906  11.803
  155   2HO*    C  40          2HO*        C  40   2.032  13.350  14.150
  156    H1*    C  40           H1*        C  40   0.547  12.101  15.285
  157   1H4     C  40          1H4         C  40   0.051   5.632  13.672
  158   2H4     C  40          2H4         C  40   1.600   5.816  14.465
  159    H5     C  40           H5         C  40  -1.383   7.546  13.096
  160    H6     C  40           H6         C  40  -1.615   9.910  13.218
  161   1H2*    C  40          1H2*        C  40   1.335  11.770  12.606
  162   1H5*    U  41          1H5*        U  41   2.563  14.489  11.482
  163   2H5*    U  41          2H5*        U  41   2.877  14.713   9.749
  164    H4*    U  41           H4*        U  41   4.863  13.816  10.987
  165    H3*    U  41           H3*        U  41   3.607  11.951   8.935
  166   2HO*    U  41          2HO*        U  41   7.263  11.466  10.623
  167    H1*    U  41           H1*        U  41   5.565  11.018  12.029
  168    H3     U  41           H3         U  41   4.721   6.562  11.232
  169    H5     U  41           H5         U  41   1.114   8.494  10.275
  170    H6     U  41           H6         U  41   2.203  10.576  10.540
  171   1H2*    U  41          1H2*        U  41   5.594  10.612   9.267
  172   1H5*    G  42          1H5*        G  42   7.955  12.739   8.020
  173   2H5*    G  42          2H5*        G  42   8.091  12.754   6.251
  174    H4*    G  42           H4*        G  42   9.703  11.179   7.367
  175    H3*    G  42           H3*        G  42   7.595   9.975   5.538
  176   2HO*    G  42          2HO*        G  42  10.791   9.446   7.174
  177    H1*    G  42           H1*        G  42   9.258   8.248   8.485
  178    H8     G  42           H8         G  42   5.774   9.254   7.135
  179    H1     G  42           H1         G  42   6.368   3.071   8.697
  180   1H2     G  42          1H2         G  42   9.740   3.815   9.149
  181   2H2     G  42          2H2         G  42   8.479   2.602   9.196
  182   1H2*    G  42          1H2*        G  42   8.840   7.918   5.764
  183   1H5*    A  43          1H5*        A  43  11.547   8.619   4.108
  184   2H5*    A  43          2H5*        A  43  11.474   8.669   2.336
  185    H4*    A  43           H4*        A  43  12.167   6.430   3.223
  186    H3*    A  43           H3*        A  43   9.510   6.546   1.738
  187   2HO*    A  43          2HO*        A  43  11.549   3.157   2.634
  188    H1*    A  43           H1*        A  43  10.456   4.052   4.432
  189    H8     A  43           H8         A  43   7.845   6.788   3.724
  190   1H6     A  43          1H6         A  43   3.588   2.383   4.606
  191   2H6     A  43          2H6         A  43   3.855   4.094   4.359
  192    H2     A  43           H2         A  43   7.622   0.453   4.613
  193    H3T    A  43           H3T        A  43  11.437   7.191   0.597
  194   1H2*    A  43          1H2*        A  43   9.626   4.134   1.796
  Start of MODEL    3
    1   1H5*    U  27          1H5*        U  27   1.973  -7.130   3.956
    2   2H5*    U  27          2H5*        U  27   2.231  -7.670   5.629
    3    H4*    U  27           H4*        U  27   3.998  -6.081   4.867
    4    H3*    U  27           H3*        U  27   2.151  -4.976   7.014
    5   2HO*    U  27          2HO*        U  27   5.561  -4.350   7.266
    6    H1*    U  27           H1*        U  27   4.375  -3.451   4.338
    7    H3     U  27           H3         U  27   3.159   0.990   4.655
    8    H5     U  27           H5         U  27  -0.356  -1.090   5.643
    9    H6     U  27           H6         U  27   0.879  -3.131   5.543
   10    H5*    U  27           H5*        U  27   0.656  -6.208   6.292
   11   1H2*    U  27          1H2*        U  27   3.643  -3.148   7.106
   12   1H5*    C  28          1H5*        C  28   6.707  -5.853   8.127
   13   2H5*    C  28          2H5*        C  28   6.769  -5.988   9.899
   14    H4*    C  28           H4*        C  28   8.551  -4.481   8.906
   15    H3*    C  28           H3*        C  28   6.507  -3.245  10.784
   16   2HO*    C  28          2HO*        C  28   9.788  -2.882   9.312
   17    H1*    C  28           H1*        C  28   8.472  -1.614   7.967
   18   1H4     C  28          1H4         C  28   2.749   1.798   8.691
   19   2H4     C  28          2H4         C  28   3.992   2.992   8.390
   20    H5     C  28           H5         C  28   3.251  -0.588   9.018
   21    H6     C  28           H6         C  28   4.975  -2.229   9.048
   22   1H2*    C  28          1H2*        C  28   7.886  -1.269  10.699
   23   1H5*    A  29          1H5*        A  29  10.625  -2.440  12.338
   24   2H5*    A  29          2H5*        A  29  10.516  -2.406  14.108
   25    H4*    A  29           H4*        A  29  11.461  -0.289  13.060
   26    H3*    A  29           H3*        A  29   8.893  -0.105  14.675
   27   2HO*    A  29          2HO*        A  29  11.173   3.050  13.497
   28    H1*    A  29           H1*        A  29   9.907   2.201  11.845
   29    H8     A  29           H8         A  29   7.061  -0.203  12.841
   30   1H6     A  29          1H6         A  29   3.274   4.609  11.960
   31   2H6     A  29          2H6         A  29   3.363   2.890  12.271
   32    H2     A  29           H2         A  29   7.488   6.075  11.676
   33   1H2*    A  29          1H2*        A  29   9.234   2.305  14.520
   34   1H5*    G  30          1H5*        G  30  11.847   2.731  16.343
   35   2H5*    G  30          2H5*        G  30  11.603   2.780  18.099
   36    H4*    G  30           H4*        G  30  11.425   5.032  16.951
   37    H3*    G  30           H3*        G  30   9.000   3.944  18.416
   38   2HO*    G  30          2HO*        G  30  10.591   6.905  17.021
   39    H1*    G  30           H1*        G  30   8.919   6.346  15.485
   40    H8     G  30           H8         G  30   7.645   2.845  16.421
   41    H1     G  30           H1         G  30   3.026   7.039  14.981
   42   1H2     G  30          1H2         G  30   5.576   9.409  15.017
   43   2H2     G  30          2H2         G  30   3.869   9.085  14.810
   44   1H2*    G  30          1H2*        G  30   8.064   6.161  18.111
   45   1H5*    A  31          1H5*        A  31   9.941   7.949  20.055
   46   2H5*    A  31          2H5*        A  31   9.701   7.845  21.810
   47    H4*    A  31           H4*        A  31   8.397   9.709  20.711
   48    H3*    A  31           H3*        A  31   6.842   7.485  22.086
   49   2HO*    A  31          2HO*        A  31   5.302  11.058  20.914
   50    H1*    A  31           H1*        A  31   5.615   9.623  19.196
   51    H8     A  31           H8         A  31   6.304   5.926  19.919
   52   1H6     A  31          1H6         A  31   0.338   4.950  18.606
   53   2H6     A  31          2H6         A  31   1.879   4.192  18.941
   54    H2     A  31           H2         A  31   1.028   9.364  18.765
   55   1H2*    A  31          1H2*        A  31   4.921   8.947  21.786
   56   1H5*    C  32          1H5*        C  32   5.196  10.867  23.822
   57   2H5*    C  32          2H5*        C  32   5.160  10.650  25.580
   58    H4*    C  32           H4*        C  32   2.893  11.117  24.654
   59    H3*    C  32           H3*        C  32   3.256   8.304  25.776
   60   2HO*    C  32          2HO*        C  32   0.407  10.249  26.233
   61    H1*    C  32           H1*        C  32   0.904   9.403  23.013
   62   1H4     C  32          1H4         C  32   0.679   3.063  22.046
   63   2H4     C  32          2H4         C  32   2.427   2.984  22.083
   64    H5     C  32           H5         C  32   3.832   4.908  22.686
   65    H6     C  32           H6         C  32   3.835   7.201  23.292
   66   1H2*    C  32          1H2*        C  32   0.889   8.106  25.489
   67   1H5*    U  33          1H5*        U  33   0.885   8.560  28.647
   68   2H5*    U  33          2H5*        U  33   1.719   8.452  30.214
   69    H4*    U  33           H4*        U  33   0.191   6.528  29.878
   70    H3*    U  33           H3*        U  33   3.146   5.788  29.776
   71   2HO*    U  33          2HO*        U  33   0.139   3.115  30.160
   72    H1*    U  33           H1*        U  33   0.157   4.103  28.119
   73    H3     U  33           H3         U  33   2.771   1.252  25.635
   74    H5     U  33           H5         U  33   4.875   4.890  25.596
   75    H6     U  33           H6         U  33   3.349   5.747  27.193
   76   1H2*    U  33          1H2*        U  33   2.384   3.533  29.748
   77    HN3  U8U  34           HN3      U8U  34  -4.482  -0.413  33.047
   78    H6   U8U  34           H6       U8U  34  -0.935   2.755  32.445
   79   1HC   U8U  34          1HC       U8U  34  -4.317   4.184  32.400
   80   2HC   U8U  34          2HC       U8U  34  -2.636   4.568  32.785
   81   1HN   U8U  34          1HN       U8U  34  -3.576   3.552  30.197
   82   1HA   U8U  34          1HA       U8U  34  -3.047   5.682  29.274
   83   2HA   U8U  34          2HA       U8U  34  -4.379   5.768  30.443
   84   3HA   U8U  34          3HA       U8U  34  -2.741   6.271  30.922
   85    H1*  U8U  34           H1*      U8U  34   0.044  -0.537  33.871
   86    H2*  U8U  34           H2*      U8U  34  -0.036   0.054  30.995
   87   2HO*  U8U  34          2HO*      U8U  34   1.550  -1.655  32.685
   88    H3*  U8U  34           H3*      U8U  34   1.687   1.580  31.088
   89    H4*  U8U  34           H4*      U8U  34   2.573   0.419  33.744
   90   1H5*  U8U  34          1H5*      U8U  34   2.926   2.781  34.351
   91   2H5*  U8U  34          2H5*      U8U  34   3.887   2.339  32.920
   92   2HN   U8U  34          2HN       U8U  34  -2.039   3.996  30.565
   93   1H5*    U  35          1H5*        U  35   1.970  -2.998  30.105
   94   2H5*    U  35          2H5*        U  35   2.394  -2.743  28.402
   95    H4*    U  35           H4*        U  35   0.281  -4.061  28.703
   96    H3*    U  35           H3*        U  35   0.065  -1.354  27.343
   97   2HO*    U  35          2HO*        U  35  -1.301  -4.657  27.480
   98    H1*    U  35           H1*        U  35  -2.332  -3.664  29.162
   99    H3     U  35           H3         U  35  -6.045  -0.970  29.724
  100    H5     U  35           H5         U  35  -2.875   1.765  29.360
  101    H6     U  35           H6         U  35  -1.403  -0.078  28.954
  102   1H2*    U  35          1H2*        U  35  -2.155  -2.019  26.798
  103   1H5*    U  36          1H5*        U  36  -1.233  -4.490  24.427
  104   2H5*    U  36          2H5*        U  36  -0.781  -3.908  22.813
  105    H4*    U  36           H4*        U  36  -3.252  -4.432  23.092
  106    H3*    U  36           H3*        U  36  -2.425  -1.588  22.420
  107   2HO*    U  36          2HO*        U  36  -5.125  -3.993  22.349
  108    H1*    U  36           H1*        U  36  -5.526  -2.807  24.252
  109    H3     U  36           H3         U  36  -6.882   1.476  25.279
  110    H5     U  36           H5         U  36  -2.696   1.626  25.600
  111    H6     U  36           H6         U  36  -2.592  -0.589  24.746
  112   1H2*    U  36          1H2*        U  36  -4.779  -1.174  22.089
  113   1H5*  T6A  37          1H5*      T6A  37  -4.873  -2.277  17.783
  114   2H5*  T6A  37          2H5*      T6A  37  -5.306  -3.074  19.312
  115    H4*  T6A  37           H4*      T6A  37  -7.281  -1.912  18.647
  116    H3*  T6A  37           H3*      T6A  37  -5.416   0.400  18.036
  117    H2*  T6A  37           H2*      T6A  37  -7.239   1.881  18.569
  118   *HO2  T6A  37          *HO2      T6A  37  -8.735   0.397  17.281
  119    H1*  T6A  37           H1*      T6A  37  -8.321   0.294  20.608
  120    H8   T6A  37           H8       T6A  37  -4.551   0.893  20.630
  121    H2   T6A  37           H2       T6A  37  -9.802   4.386  22.228
  122    HN6  T6A  37           HN6      T6A  37  -4.480   5.109  22.920
  123    HN1  T6A  37           HN1      T6A  37  -7.696   6.633  23.478
  124    H12  T6A  37           H12      T6A  37  -6.421   9.188  23.874
  125    H14  T6A  37           H14      T6A  37  -8.664   9.673  25.171
  126    HO4  T6A  37           HO4      T6A  37 -10.225   8.090  24.687
  127   1H15  T6A  37          1H15      T6A  37  -8.648   8.746  22.257
  128   2H15  T6A  37          2H15      T6A  37  -9.956   9.679  23.018
  129   3H15  T6A  37          3H15      T6A  37  -8.349  10.406  22.830
  130   1H5*    A  38          1H5*        A  38  -9.116   1.767  16.051
  131   2H5*    A  38          2H5*        A  38  -8.447   2.523  14.592
  132    H4*    A  38           H4*        A  38  -9.779   4.088  16.084
  133    H3*    A  38           H3*        A  38  -6.848   4.684  15.550
  134   2HO*    A  38          2HO*        A  38  -9.533   7.282  17.161
  135    H1*    A  38           H1*        A  38  -8.796   5.733  18.630
  136    H8     A  38           H8         A  38  -5.709   3.629  17.721
  137   1H6     A  38          1H6         A  38  -2.477   7.526  21.271
  138   2H6     A  38          2H6         A  38  -2.434   6.021  20.380
  139    H2     A  38           H2         A  38  -6.610   9.165  20.801
  140   1H2*    A  38          1H2*        A  38  -7.334   6.840  16.579
  141    HN1  PSU  39           HN1      PSU  39  -2.626   5.485  15.498
  142    HN3  PSU  39           HN3      PSU  39  -0.696   8.034  18.081
  143    H6   PSU  39           H6       PSU  39  -4.402   7.116  15.185
  144    H1*  PSU  39           H1*      PSU  39  -4.780  10.182  17.204
  145    H2*  PSU  39           H2*      PSU  39  -3.304  10.173  14.776
  146   *HO2  PSU  39          *HO2      PSU  39  -3.882  11.986  16.135
  147    H3*  PSU  39           H3*      PSU  39  -4.979   9.090  13.482
  148    H4*  PSU  39           H4*      PSU  39  -7.100  10.399  15.198
  149   1H5*  PSU  39          1H5*      PSU  39  -8.322   8.348  14.795
  150   2H5*  PSU  39          2H5*      PSU  39  -7.722   8.915  13.219
  151   1H5*    C  40          1H5*        C  40  -3.584  13.449  13.772
  152   2H5*    C  40          2H5*        C  40  -2.955  13.634  12.125
  153    H4*    C  40           H4*        C  40  -1.252  14.038  13.982
  154    H3*    C  40           H3*        C  40  -0.800  11.918  11.856
  155   2HO*    C  40          2HO*        C  40   0.802  14.083  14.246
  156    H1*    C  40           H1*        C  40   0.567  12.116  15.402
  157   1H4     C  40          1H4         C  40   0.244   5.616  13.832
  158   2H4     C  40          2H4         C  40   1.721   5.823  14.744
  159    H5     C  40           H5         C  40  -1.158   7.509  13.125
  160    H6     C  40           H6         C  40  -1.425   9.873  13.211
  161   1H2*    C  40          1H2*        C  40   1.432  11.743  12.739
  162   1H5*    U  41          1H5*        U  41   2.707  14.624  11.712
  163   2H5*    U  41          2H5*        U  41   3.044  14.881   9.987
  164    H4*    U  41           H4*        U  41   5.041  14.041  11.247
  165    H3*    U  41           H3*        U  41   3.885  12.169   9.141
  166   2HO*    U  41          2HO*        U  41   7.530  11.782  10.877
  167    H1*    U  41           H1*        U  41   5.835  11.273  12.262
  168    H3     U  41           H3         U  41   5.150   6.786  11.508
  169    H5     U  41           H5         U  41   1.505   8.586  10.443
  170    H6     U  41           H6         U  41   2.522  10.706  10.698
  171   1H2*    U  41          1H2*        U  41   5.905  10.886   9.495
  172   1H5*    G  42          1H5*        G  42   8.121  12.768   8.164
  173   2H5*    G  42          2H5*        G  42   8.223  12.814   6.392
  174    H4*    G  42           H4*        G  42   9.684  11.054   7.412
  175    H3*    G  42           H3*        G  42   7.388  10.081   5.673
  176   2HO*    G  42          2HO*        G  42  10.577   9.219   7.179
  177    H1*    G  42           H1*        G  42   8.978   8.174   8.541
  178    H8     G  42           H8         G  42   5.571   9.565   7.356
  179    H1     G  42           H1         G  42   5.565   3.330   8.814
  180   1H2     G  42          1H2         G  42   9.016   3.697   9.101
  181   2H2     G  42          2H2         G  42   7.637   2.624   9.190
  182   1H2*    G  42          1H2*        G  42   8.427   7.911   5.839
  183   1H5*    A  43          1H5*        A  43  11.164   8.376   4.091
  184   2H5*    A  43          2H5*        A  43  11.001   8.380   2.324
  185    H4*    A  43           H4*        A  43  11.552   6.117   3.248
  186    H3*    A  43           H3*        A  43   8.832   6.408   1.909
  187   2HO*    A  43          2HO*        A  43  10.653   2.892   2.786
  188    H1*    A  43           H1*        A  43   9.778   3.927   4.620
  189    H8     A  43           H8         A  43   7.257   6.765   3.906
  190   1H6     A  43          1H6         A  43   2.871   2.653   5.379
  191   2H6     A  43          2H6         A  43   3.198   4.326   4.986
  192    H2     A  43           H2         A  43   6.809   0.535   5.305
  193    H3T    A  43           H3T        A  43  10.730   6.867   0.639
  194   1H2*    A  43          1H2*        A  43   8.761   3.999   2.042
  Start of MODEL    4
    1   1H5*    U  27          1H5*        U  27   2.303  -7.260   3.679
    2   2H5*    U  27          2H5*        U  27   2.483  -7.777   5.371
    3    H4*    U  27           H4*        U  27   4.315  -6.237   4.656
    4    H3*    U  27           H3*        U  27   2.402  -5.085   6.724
    5   2HO*    U  27          2HO*        U  27   5.766  -5.005   5.522
    6    H1*    U  27           H1*        U  27   4.739  -3.573   4.132
    7    H3     U  27           H3         U  27   3.429   0.849   4.353
    8    H5     U  27           H5         U  27  -0.054  -1.279   5.354
    9    H6     U  27           H6         U  27   1.219  -3.299   5.285
   10    H5*    U  27           H5*        U  27   0.346  -7.124   4.859
   11   1H2*    U  27          1H2*        U  27   3.929  -3.285   6.871
   12   1H5*    C  28          1H5*        C  28   6.887  -5.792   7.901
   13   2H5*    C  28          2H5*        C  28   6.938  -5.945   9.669
   14    H4*    C  28           H4*        C  28   8.652  -4.338   8.703
   15    H3*    C  28           H3*        C  28   6.553  -3.268  10.620
   16   2HO*    C  28          2HO*        C  28   9.813  -2.696   9.181
   17    H1*    C  28           H1*        C  28   8.441  -1.462   7.853
   18   1H4     C  28          1H4         C  28   2.564   1.667   8.647
   19   2H4     C  28          2H4         C  28   3.748   2.922   8.359
   20    H5     C  28           H5         C  28   3.178  -0.698   8.932
   21    H6     C  28           H6         C  28   4.977  -2.258   8.927
   22   1H2*    C  28          1H2*        C  28   7.821  -1.218  10.592
   23   1H5*    A  29          1H5*        A  29  10.691  -2.372  12.169
   24   2H5*    A  29          2H5*        A  29  10.593  -2.382  13.940
   25    H4*    A  29           H4*        A  29  11.495  -0.229  12.938
   26    H3*    A  29           H3*        A  29   8.942  -0.132  14.578
   27   2HO*    A  29          2HO*        A  29  11.691   1.799  13.182
   28    H1*    A  29           H1*        A  29   9.881   2.265  11.792
   29    H8     A  29           H8         A  29   7.088  -0.211  12.794
   30   1H6     A  29          1H6         A  29   3.202   4.524  11.916
   31   2H6     A  29          2H6         A  29   3.326   2.807  12.232
   32    H2     A  29           H2         A  29   7.385   6.069  11.602
   33   1H2*    A  29          1H2*        A  29   9.193   2.279  14.471
   34   1H5*    G  30          1H5*        G  30  11.875   2.734  16.289
   35   2H5*    G  30          2H5*        G  30  11.617   2.765  18.042
   36    H4*    G  30           H4*        G  30  11.408   5.025  16.903
   37    H3*    G  30           H3*        G  30   8.991   3.889  18.349
   38   2HO*    G  30          2HO*        G  30   9.405   7.739  17.105
   39    H1*    G  30           H1*        G  30   8.892   6.306  15.436
   40    H8     G  30           H8         G  30   7.653   2.797  16.418
   41    H1     G  30           H1         G  30   3.006   6.922  14.867
   42   1H2     G  30          1H2         G  30   5.537   9.313  14.864
   43   2H2     G  30          2H2         G  30   3.835   8.971  14.654
   44   1H2*    G  30          1H2*        G  30   8.052   6.123  18.061
   45   1H5*    A  31          1H5*        A  31   9.917   7.883  20.007
   46   2H5*    A  31          2H5*        A  31   9.664   7.788  21.761
   47    H4*    A  31           H4*        A  31   8.371   9.648  20.636
   48    H3*    A  31           H3*        A  31   6.806   7.439  22.021
   49   2HO*    A  31          2HO*        A  31   5.277  11.003  20.807
   50    H1*    A  31           H1*        A  31   5.596   9.549  19.106
   51    H8     A  31           H8         A  31   6.280   5.859  19.856
   52   1H6     A  31          1H6         A  31   0.306   4.877  18.588
   53   2H6     A  31          2H6         A  31   1.848   4.121  18.922
   54    H2     A  31           H2         A  31   1.004   9.293  18.697
   55   1H2*    A  31          1H2*        A  31   4.889   8.902  21.698
   56   1H5*    C  32          1H5*        C  32   5.140  10.823  23.712
   57   2H5*    C  32          2H5*        C  32   5.098  10.626  25.473
   58    H4*    C  32           H4*        C  32   2.833  11.071  24.532
   59    H3*    C  32           H3*        C  32   3.207   8.275  25.693
   60   2HO*    C  32          2HO*        C  32   0.347  10.213  26.114
   61    H1*    C  32           H1*        C  32   0.857   9.324  22.908
   62   1H4     C  32          1H4         C  32   0.670   2.969  22.033
   63   2H4     C  32          2H4         C  32   2.417   2.900  22.073
   64    H5     C  32           H5         C  32   3.811   4.842  22.648
   65    H6     C  32           H6         C  32   3.800   7.143  23.221
   66   1H2*    C  32          1H2*        C  32   0.841   8.062  25.403
   67   1H5*    U  33          1H5*        U  33   0.821   8.569  28.554
   68   2H5*    U  33          2H5*        U  33   1.651   8.494  30.125
   69    H4*    U  33           H4*        U  33   0.128   6.562  29.827
   70    H3*    U  33           H3*        U  33   3.084   5.823  29.742
   71   2HO*    U  33          2HO*        U  33   0.070   3.163  30.173
   72    H1*    U  33           H1*        U  33   0.113   4.092  28.104
   73    H3     U  33           H3         U  33   2.827   1.180  25.792
   74    H5     U  33           H5         U  33   4.845   4.861  25.608
   75    H6     U  33           H6         U  33   3.281   5.755  27.144
   76   1H2*    U  33          1H2*        U  33   2.320   3.567  29.769
   77    HN3  U8U  34           HN3      U8U  34  -4.491  -0.327  33.201
   78    H6   U8U  34           H6       U8U  34  -0.969   2.859  32.552
   79   1HC   U8U  34          1HC       U8U  34  -4.358   4.269  32.538
   80   2HC   U8U  34          2HC       U8U  34  -2.677   4.663  32.913
   81   1HN   U8U  34          1HN       U8U  34  -3.634   3.645  30.332
   82   1HA   U8U  34          1HA       U8U  34  -4.424   5.866  30.591
   83   2HA   U8U  34          2HA       U8U  34  -2.776   6.360  31.045
   84   3HA   U8U  34          3HA       U8U  34  -3.109   5.770  29.402
   85    H1*  U8U  34           H1*      U8U  34   0.039  -0.413  34.000
   86    H2*  U8U  34           H2*      U8U  34  -0.065   0.131  31.113
   87   2HO*  U8U  34          2HO*      U8U  34   0.114  -1.945  32.179
   88    H3*  U8U  34           H3*      U8U  34   1.674   1.634  31.158
   89    H4*  U8U  34           H4*      U8U  34   2.567   0.550  33.841
   90   1H5*  U8U  34          1H5*      U8U  34   2.916   2.928  34.381
   91   2H5*  U8U  34          2H5*      U8U  34   3.863   2.456  32.950
   92   2HN   U8U  34          2HN       U8U  34  -2.092   4.082  30.687
   93   1H5*    U  35          1H5*        U  35   1.909  -2.948  30.249
   94   2H5*    U  35          2H5*        U  35   2.319  -2.716  28.539
   95    H4*    U  35           H4*        U  35   0.193  -4.001  28.869
   96    H3*    U  35           H3*        U  35  -0.028  -1.292  27.513
   97   2HO*    U  35          2HO*        U  35  -1.407  -4.590  27.665
   98    H1*    U  35           H1*        U  35  -2.386  -3.608  29.374
   99    H3     U  35           H3         U  35  -6.100  -0.943  30.063
  100    H5     U  35           H5         U  35  -2.974   1.819  29.553
  101    H6     U  35           H6         U  35  -1.499  -0.016  29.118
  102   1H2*    U  35          1H2*        U  35  -2.264  -1.944  27.018
  103   1H5*    U  36          1H5*        U  36  -1.346  -4.496  24.647
  104   2H5*    U  36          2H5*        U  36  -0.949  -3.932  23.013
  105    H4*    U  36           H4*        U  36  -3.398  -4.522  23.376
  106    H3*    U  36           H3*        U  36  -2.681  -1.668  22.614
  107   2HO*    U  36          2HO*        U  36  -5.185  -3.659  21.366
  108    H1*    U  36           H1*        U  36  -5.692  -2.889  24.554
  109    H3     U  36           H3         U  36  -7.103   1.430  25.283
  110    H5     U  36           H5         U  36  -2.925   1.629  25.672
  111    H6     U  36           H6         U  36  -2.789  -0.619  24.922
  112   1H2*    U  36          1H2*        U  36  -5.082  -1.408  22.260
  113   1H5*  T6A  37          1H5*      T6A  37  -5.010  -2.300  17.946
  114   2H5*  T6A  37          2H5*      T6A  37  -5.546  -3.108  19.436
  115    H4*  T6A  37           H4*      T6A  37  -7.437  -1.848  18.732
  116    H3*  T6A  37           H3*      T6A  37  -5.431   0.353  18.185
  117    H2*  T6A  37           H2*      T6A  37  -7.117   1.956  18.716
  118   *HO2  T6A  37          *HO2      T6A  37  -9.360   1.292  18.780
  119    H1*  T6A  37           H1*      T6A  37  -8.439   0.389  20.652
  120    H8   T6A  37           H8       T6A  37  -4.655   0.791  20.902
  121    H2   T6A  37           H2       T6A  37  -9.809   4.508  22.295
  122    HN6  T6A  37           HN6      T6A  37  -4.503   4.971  23.268
  123    HN1  T6A  37           HN1      T6A  37  -7.674   6.622  23.702
  124    H12  T6A  37           H12      T6A  37  -6.319   9.115  24.180
  125    H14  T6A  37           H14      T6A  37  -8.589   9.684  25.390
  126    HO4  T6A  37           HO4      T6A  37  -9.087   7.501  25.758
  127   1H15  T6A  37          1H15      T6A  37  -9.803   9.755  23.202
  128   2H15  T6A  37          2H15      T6A  37  -8.157  10.398  23.055
  129   3H15  T6A  37          3H15      T6A  37  -8.528   8.753  22.478
  130   1H5*    A  38          1H5*        A  38  -9.127   1.831  16.046
  131   2H5*    A  38          2H5*        A  38  -8.368   2.610  14.646
  132    H4*    A  38           H4*        A  38  -9.773   4.143  16.149
  133    H3*    A  38           H3*        A  38  -6.848   4.744  15.604
  134   2HO*    A  38          2HO*        A  38  -9.529   7.338  17.230
  135    H1*    A  38           H1*        A  38  -8.784   5.788  18.693
  136    H8     A  38           H8         A  38  -5.677   3.717  17.756
  137   1H6     A  38          1H6         A  38  -2.469   7.620  21.317
  138   2H6     A  38          2H6         A  38  -2.416   6.121  20.417
  139    H2     A  38           H2         A  38  -6.618   9.223  20.877
  140   1H2*    A  38          1H2*        A  38  -7.333   6.902  16.637
  141    HN1  PSU  39           HN1      PSU  39  -2.633   5.558  15.523
  142    HN3  PSU  39           HN3      PSU  39  -0.692   8.101  18.104
  143    H6   PSU  39           H6       PSU  39  -4.413   7.186  15.229
  144    H1*  PSU  39           H1*      PSU  39  -4.785  10.243  17.262
  145    H2*  PSU  39           H2*      PSU  39  -3.316  10.254  14.833
  146   *HO2  PSU  39          *HO2      PSU  39  -3.914  12.059  16.196
  147    H3*  PSU  39           H3*      PSU  39  -4.988   9.153  13.540
  148    H4*  PSU  39           H4*      PSU  39  -7.110  10.464  15.255
  149   1H5*  PSU  39          1H5*      PSU  39  -8.332   8.410  14.860
  150   2H5*  PSU  39          2H5*      PSU  39  -7.741   8.981  13.281
  151   1H5*    C  40          1H5*        C  40  -3.559  13.472  13.817
  152   2H5*    C  40          2H5*        C  40  -2.958  13.666  12.160
  153    H4*    C  40           H4*        C  40  -1.212  14.043  13.978
  154    H3*    C  40           H3*        C  40  -0.806  11.896  11.867
  155   2HO*    C  40          2HO*        C  40   2.094  13.385  14.291
  156    H1*    C  40           H1*        C  40   0.612  12.086  15.379
  157   1H4     C  40          1H4         C  40   0.286   5.631  13.670
  158   2H4     C  40          2H4         C  40   1.818   5.838  14.488
  159    H5     C  40           H5         C  40  -1.181   7.521  13.097
  160    H6     C  40           H6         C  40  -1.468   9.876  13.248
  161   1H2*    C  40          1H2*        C  40   1.468  11.806  12.718
  162   1H5*    U  41          1H5*        U  41   2.655  14.614  11.668
  163   2H5*    U  41          2H5*        U  41   2.986  14.870   9.942
  164    H4*    U  41           H4*        U  41   4.996  14.061  11.196
  165    H3*    U  41           H3*        U  41   3.857  12.151   9.115
  166   2HO*    U  41          2HO*        U  41   7.512  11.830  10.843
  167    H1*    U  41           H1*        U  41   5.826  11.308  12.236
  168    H3     U  41           H3         U  41   5.193   6.810  11.505
  169    H5     U  41           H5         U  41   1.519   8.561  10.457
  170    H6     U  41           H6         U  41   2.512  10.694  10.694
  171   1H2*    U  41          1H2*        U  41   5.895  10.901   9.472
  172   1H5*    G  42          1H5*        G  42   8.091  12.823   8.128
  173   2H5*    G  42          2H5*        G  42   8.187  12.861   6.355
  174    H4*    G  42           H4*        G  42   9.697  11.147   7.380
  175    H3*    G  42           H3*        G  42   7.422  10.106   5.652
  176   2HO*    G  42          2HO*        G  42  10.639   9.337   7.144
  177    H1*    G  42           H1*        G  42   9.075   8.255   8.522
  178    H8     G  42           H8         G  42   5.627   9.547   7.344
  179    H1     G  42           H1         G  42   5.790   3.327   8.861
  180   1H2     G  42          1H2         G  42   9.230   3.789   9.139
  181   2H2     G  42          2H2         G  42   7.879   2.683   9.247
  182   1H2*    G  42          1H2*        G  42   8.517   7.966   5.823
  183   1H5*    A  43          1H5*        A  43  11.224   8.499   4.055
  184   2H5*    A  43          2H5*        A  43  11.073   8.538   2.288
  185    H4*    A  43           H4*        A  43  11.676   6.272   3.175
  186    H3*    A  43           H3*        A  43   8.980   6.540   1.787
  187   2HO*    A  43          2HO*        A  43  11.604   4.254   2.762
  188    H1*    A  43           H1*        A  43   9.958   4.007   4.458
  189    H8     A  43           H8         A  43   7.348   6.788   3.908
  190   1H6     A  43          1H6         A  43   3.097   2.480   5.204
  191   2H6     A  43          2H6         A  43   3.373   4.181   4.901
  192    H2     A  43           H2         A  43   7.089   0.481   4.962
  193    H3T    A  43           H3T        A  43  11.577   5.668   0.971
  194   1H2*    A  43          1H2*        A  43   8.891   4.150   1.888
  Start of MODEL    5
    1   1H5*    U  27          1H5*        U  27   1.144  -7.192   4.681
    2   2H5*    U  27          2H5*        U  27   1.318  -7.616   6.400
    3    H4*    U  27           H4*        U  27   3.288  -6.346   5.535
    4    H3*    U  27           H3*        U  27   1.586  -4.853   7.569
    5   2HO*    U  27          2HO*        U  27   4.897  -5.234   6.274
    6    H1*    U  27           H1*        U  27   3.989  -3.782   4.822
    7    H3     U  27           H3         U  27   3.233   0.771   4.864
    8    H5     U  27           H5         U  27  -0.475  -0.875   5.956
    9    H6     U  27           H6         U  27   0.544  -3.033   5.987
   10    H5*    U  27           H5*        U  27  -0.746  -6.757   5.897
   11   1H2*    U  27          1H2*        U  27   3.312  -3.235   7.557
   12   1H5*    C  28          1H5*        C  28   5.986  -5.936   8.725
   13   2H5*    C  28          2H5*        C  28   6.072  -5.963  10.498
   14    H4*    C  28           H4*        C  28   7.882  -4.572   9.362
   15    H3*    C  28           H3*        C  28   5.946  -3.220  11.270
   16   2HO*    C  28          2HO*        C  28   9.184  -3.001   9.690
   17    H1*    C  28           H1*        C  28   7.863  -1.754   8.326
   18   1H4     C  28          1H4         C  28   2.293   1.898   9.126
   19   2H4     C  28          2H4         C  28   3.558   3.029   8.702
   20    H5     C  28           H5         C  28   2.727  -0.485   9.547
   21    H6     C  28           H6         C  28   4.392  -2.185   9.579
   22   1H2*    C  28          1H2*        C  28   7.367  -1.281  11.061
   23   1H5*    A  29          1H5*        A  29  10.208  -2.583  12.610
   24   2H5*    A  29          2H5*        A  29  10.187  -2.455  14.379
   25    H4*    A  29           H4*        A  29  11.234  -0.476  13.181
   26    H3*    A  29           H3*        A  29   8.762  -0.003  14.886
   27   2HO*    A  29          2HO*        A  29  11.691   1.732  14.649
   28    H1*    A  29           H1*        A  29   9.801   2.071  11.898
   29    H8     A  29           H8         A  29   6.855  -0.054  13.210
   30   1H6     A  29          1H6         A  29   3.373   4.964  12.234
   31   2H6     A  29          2H6         A  29   3.359   3.264  12.647
   32    H2     A  29           H2         A  29   7.654   6.092  11.619
   33   1H2*    A  29          1H2*        A  29   9.292   2.363  14.591
   34   1H5*    G  30          1H5*        G  30  11.752   2.831  16.368
   35   2H5*    G  30          2H5*        G  30  11.569   2.880  18.132
   36    H4*    G  30           H4*        G  30  11.330   5.125  17.022
   37    H3*    G  30           H3*        G  30   8.889   4.017  18.454
   38   2HO*    G  30          2HO*        G  30   9.357   7.858  17.207
   39    H1*    G  30           H1*        G  30   8.825   6.426  15.538
   40    H8     G  30           H8         G  30   7.608   2.901  16.412
   41    H1     G  30           H1         G  30   2.906   7.060  15.152
   42   1H2     G  30          1H2         G  30   5.423   9.466  15.208
   43   2H2     G  30          2H2         G  30   3.719   9.122  15.013
   44   1H2*    G  30          1H2*        G  30   7.982   6.259  18.159
   45   1H5*    A  31          1H5*        A  31   9.814   7.997  20.114
   46   2H5*    A  31          2H5*        A  31   9.566   7.893  21.867
   47    H4*    A  31           H4*        A  31   8.281   9.761  20.759
   48    H3*    A  31           H3*        A  31   6.725   7.553  22.151
   49   2HO*    A  31          2HO*        A  31   6.609  10.952  20.883
   50    H1*    A  31           H1*        A  31   5.487   9.679  19.249
   51    H8     A  31           H8         A  31   6.185   5.980  19.924
   52   1H6     A  31          1H6         A  31   0.205   5.001  18.680
   53   2H6     A  31          2H6         A  31   1.752   4.245  18.987
   54    H2     A  31           H2         A  31   0.885   9.416  18.875
   55   1H2*    A  31          1H2*        A  31   4.791   8.971  21.837
   56   1H5*    C  32          1H5*        C  32   5.093  10.970  23.903
   57   2H5*    C  32          2H5*        C  32   5.061  10.738  25.659
   58    H4*    C  32           H4*        C  32   2.796  11.227  24.739
   59    H3*    C  32           H3*        C  32   3.155   8.407  25.853
   60   2HO*    C  32          2HO*        C  32   0.762  10.963  25.037
   61    H1*    C  32           H1*        C  32   0.796   9.626  23.120
   62   1H4     C  32          1H4         C  32   0.344   3.383  21.690
   63   2H4     C  32          2H4         C  32   2.083   3.219  21.780
   64    H5     C  32           H5         C  32   3.550   5.031  22.564
   65    H6     C  32           H6         C  32   3.630   7.276  23.327
   66   1H2*    C  32          1H2*        C  32   0.823   8.149  25.523
   67   1H5*    U  33          1H5*        U  33   0.767   8.655  28.749
   68   2H5*    U  33          2H5*        U  33   1.613   8.506  30.306
   69    H4*    U  33           H4*        U  33   0.071   6.596  29.917
   70    H3*    U  33           H3*        U  33   3.025   5.852  29.794
   71   2HO*    U  33          2HO*        U  33  -0.242   4.614  30.510
   72    H1*    U  33           H1*        U  33  -0.109   4.311  28.251
   73    H3     U  33           H3         U  33   1.901   1.293  25.427
   74    H5     U  33           H5         U  33   4.457   4.629  25.350
   75    H6     U  33           H6         U  33   3.170   5.604  27.091
   76   1H2*    U  33          1H2*        U  33   2.289   3.613  29.646
   77    HN3  U8U  34           HN3      U8U  34  -4.310  -0.746  33.023
   78    H6   U8U  34           H6       U8U  34  -0.903   2.546  32.295
   79   1HC   U8U  34          1HC       U8U  34  -4.331   3.852  32.396
   80   2HC   U8U  34          2HC       U8U  34  -2.638   4.311  32.590
   81   1HN   U8U  34          1HN       U8U  34  -3.817   3.182  30.149
   82   1HA   U8U  34          1HA       U8U  34  -2.953   5.937  30.680
   83   2HA   U8U  34          2HA       U8U  34  -3.461   5.286  29.106
   84   3HA   U8U  34          3HA       U8U  34  -4.631   5.398  30.434
   85    H1*  U8U  34           H1*      U8U  34   0.247  -0.707  33.682
   86    H2*  U8U  34           H2*      U8U  34   0.073  -0.035  30.830
   87   2HO*  U8U  34          2HO*      U8U  34   1.789  -1.697  32.441
   88    H3*  U8U  34           H3*      U8U  34   1.707   1.595  30.952
   89    H4*  U8U  34           H4*      U8U  34   2.712   0.367  33.533
   90   1H5*  U8U  34          1H5*      U8U  34   2.974   2.714  34.235
   91   2H5*  U8U  34          2H5*      U8U  34   3.927   2.374  32.770
   92   2HN   U8U  34          2HN       U8U  34  -2.259   3.667  30.330
   93   1H5*    U  35          1H5*        U  35   2.311  -2.956  29.884
   94   2H5*    U  35          2H5*        U  35   2.686  -2.677  28.174
   95    H4*    U  35           H4*        U  35   0.671  -4.167  28.562
   96    H3*    U  35           H3*        U  35   0.328  -1.551  27.057
   97   2HO*    U  35          2HO*        U  35  -2.319  -4.619  26.920
   98    H1*    U  35           H1*        U  35  -2.036  -3.810  29.004
   99    H3     U  35           H3         U  35  -5.771  -1.107  29.218
  100    H5     U  35           H5         U  35  -2.582   1.616  28.953
  101    H6     U  35           H6         U  35  -1.094  -0.232  28.674
  102   1H2*    U  35          1H2*        U  35  -1.861  -2.381  26.524
  103   1H5*    U  36          1H5*        U  36  -0.980  -4.604  24.273
  104   2H5*    U  36          2H5*        U  36  -0.480  -4.101  22.647
  105    H4*    U  36           H4*        U  36  -2.975  -4.435  22.900
  106    H3*    U  36           H3*        U  36  -1.991  -1.635  22.244
  107   2HO*    U  36          2HO*        U  36  -5.835  -2.916  21.939
  108    H1*    U  36           H1*        U  36  -5.157  -2.653  24.059
  109    H3     U  36           H3         U  36  -6.202   1.769  24.835
  110    H5     U  36           H5         U  36  -2.036   1.589  25.341
  111    H6     U  36           H6         U  36  -2.079  -0.660  24.584
  112   1H2*    U  36          1H2*        U  36  -4.341  -1.153  21.846
  113   1H5*  T6A  37          1H5*      T6A  37  -4.448  -2.332  17.588
  114   2H5*  T6A  37          2H5*      T6A  37  -4.895  -3.103  19.128
  115    H4*  T6A  37           H4*      T6A  37  -6.862  -1.939  18.415
  116    H3*  T6A  37           H3*      T6A  37  -4.951   0.327  17.802
  117    H2*  T6A  37           H2*      T6A  37  -6.667   1.880  18.369
  118   *HO2  T6A  37          *HO2      T6A  37  -8.889   1.158  18.479
  119    H1*  T6A  37           H1*      T6A  37  -7.905   0.286  20.337
  120    H8   T6A  37           H8       T6A  37  -4.122   0.905  20.373
  121    H2   T6A  37           H2       T6A  37  -9.412   4.194  22.253
  122    HN6  T6A  37           HN6      T6A  37  -4.094   5.024  22.848
  123    HN1  T6A  37           HN1      T6A  37  -7.334   6.425  23.563
  124    H12  T6A  37           H12      T6A  37  -6.129   8.999  24.016
  125    H14  T6A  37           H14      T6A  37  -8.336   9.367  25.408
  126    HO4  T6A  37           HO4      T6A  37  -9.861   7.746  24.938
  127   1H15  T6A  37          1H15      T6A  37  -8.430   8.519  22.471
  128   2H15  T6A  37          2H15      T6A  37  -9.715   9.406  23.319
  129   3H15  T6A  37          3H15      T6A  37  -8.134  10.171  23.070
  130   1H5*    A  38          1H5*        A  38  -8.762   1.641  15.720
  131   2H5*    A  38          2H5*        A  38  -8.055   2.465  14.319
  132    H4*    A  38           H4*        A  38  -9.514   3.917  15.840
  133    H3*    A  38           H3*        A  38  -6.623   4.660  15.298
  134   2HO*    A  38          2HO*        A  38  -9.866   5.835  16.475
  135    H1*    A  38           H1*        A  38  -8.580   5.576  18.413
  136    H8     A  38           H8         A  38  -5.368   3.711  17.346
  137   1H6     A  38          1H6         A  38  -2.350   7.605  21.078
  138   2H6     A  38          2H6         A  38  -2.220   6.161  20.099
  139    H2     A  38           H2         A  38  -6.596   8.969  20.778
  140   1H2*    A  38          1H2*        A  38  -7.175   6.771  16.364
  141    HN1  PSU  39           HN1      PSU  39  -2.532   5.663  15.424
  142    HN3  PSU  39           HN3      PSU  39  -0.752   8.238  18.087
  143    H6   PSU  39           H6       PSU  39  -4.353   7.238  15.090
  144    H1*  PSU  39           H1*      PSU  39  -4.883  10.261  17.138
  145    H2*  PSU  39           H2*      PSU  39  -3.342  10.343  14.762
  146   *HO2  PSU  39          *HO2      PSU  39  -5.566  11.955  15.635
  147    H3*  PSU  39           H3*      PSU  39  -4.926   9.182  13.407
  148    H4*  PSU  39           H4*      PSU  39  -7.150  10.416  15.049
  149   1H5*  PSU  39          1H5*      PSU  39  -8.283   8.313  14.627
  150   2H5*  PSU  39          2H5*      PSU  39  -7.689   8.926  13.066
  151   1H5*    C  40          1H5*        C  40  -3.649  13.514  13.717
  152   2H5*    C  40          2H5*        C  40  -2.963  13.729  12.096
  153    H4*    C  40           H4*        C  40  -1.333  14.128  14.023
  154    H3*    C  40           H3*        C  40  -0.756  12.013  11.921
  155   2HO*    C  40          2HO*        C  40   1.469  14.323  13.194
  156    H1*    C  40           H1*        C  40   0.435  12.188  15.517
  157   1H4     C  40          1H4         C  40   0.274   5.729  13.828
  158   2H4     C  40          2H4         C  40   1.736   5.949  14.763
  159    H5     C  40           H5         C  40  -1.149   7.606  13.125
  160    H6     C  40           H6         C  40  -1.455   9.962  13.229
  161   1H2*    C  40          1H2*        C  40   1.467  11.953  12.912
  162   1H5*    U  41          1H5*        U  41   2.787  14.709  11.671
  163   2H5*    U  41          2H5*        U  41   3.076  14.888   9.929
  164    H4*    U  41           H4*        U  41   5.076  14.032  11.180
  165    H3*    U  41           H3*        U  41   3.820  12.143   9.152
  166   2HO*    U  41          2HO*        U  41   7.492  11.700  10.823
  167    H1*    U  41           H1*        U  41   5.808  11.250  12.242
  168    H3     U  41           H3         U  41   5.007   6.780  11.476
  169    H5     U  41           H5         U  41   1.379   8.667  10.515
  170    H6     U  41           H6         U  41   2.443  10.763  10.774
  171   1H2*    U  41          1H2*        U  41   5.823  10.820   9.484
  172   1H5*    G  42          1H5*        G  42   8.095  12.770   8.125
  173   2H5*    G  42          2H5*        G  42   8.197  12.778   6.353
  174    H4*    G  42           H4*        G  42   9.722  11.101   7.432
  175    H3*    G  42           H3*        G  42   7.487  10.001   5.685
  176   2HO*    G  42          2HO*        G  42  10.800   9.021   5.785
  177    H1*    G  42           H1*        G  42   9.108   8.201   8.587
  178    H8     G  42           H8         G  42   5.668   9.453   7.357
  179    H1     G  42           H1         G  42   5.929   3.191   8.673
  180   1H2     G  42          1H2         G  42   9.352   3.713   9.045
  181   2H2     G  42          2H2         G  42   8.022   2.578   9.088
  182   1H2*    G  42          1H2*        G  42   8.682   7.891   5.875
  183   1H5*    A  43          1H5*        A  43  11.237   8.347   3.902
  184   2H5*    A  43          2H5*        A  43  10.947   8.417   2.153
  185    H4*    A  43           H4*        A  43  11.525   6.123   2.959
  186    H3*    A  43           H3*        A  43   8.734   6.512   1.809
  187   2HO*    A  43          2HO*        A  43  11.335   4.110   2.562
  188    H1*    A  43           H1*        A  43   9.799   3.906   4.370
  189    H8     A  43           H8         A  43   7.323   6.836   4.009
  190   1H6     A  43          1H6         A  43   2.931   2.775   5.605
  191   2H6     A  43          2H6         A  43   3.282   4.458   5.282
  192    H2     A  43           H2         A  43   6.774   0.551   5.088
  193    H3T    A  43           H3T        A  43  10.569   6.948   0.442
  194   1H2*    A  43          1H2*        A  43   8.563   4.123   1.888
  Start of MODEL    6
    1   1H5*    U  27          1H5*        U  27   2.956  -7.425   2.866
    2   2H5*    U  27          2H5*        U  27   3.121  -7.957   4.554
    3    H4*    U  27           H4*        U  27   5.050  -6.572   3.823
    4    H3*    U  27           H3*        U  27   3.263  -5.198   5.868
    5   2HO*    U  27          2HO*        U  27   7.047  -4.095   4.925
    6    H1*    U  27           H1*        U  27   5.594  -3.794   3.242
    7    H3     U  27           H3         U  27   4.436   0.593   4.032
    8    H5     U  27           H5         U  27   0.838  -1.520   4.523
    9    H6     U  27           H6         U  27   2.052  -3.554   4.314
   10    H5*    U  27           H5*        U  27   1.686  -6.330   5.153
   11   1H2*    U  27          1H2*        U  27   5.062  -3.607   6.012
   12   1H5*    C  28          1H5*        C  28   7.522  -5.791   7.355
   13   2H5*    C  28          2H5*        C  28   7.418  -6.039   9.110
   14    H4*    C  28           H4*        C  28   9.034  -4.210   8.408
   15    H3*    C  28           H3*        C  28   6.646  -3.444  10.124
   16   2HO*    C  28          2HO*        C  28   9.911  -1.120   9.463
   17    H1*    C  28           H1*        C  28   8.591  -1.314   7.668
   18   1H4     C  28          1H4         C  28   2.389   1.159   8.175
   19   2H4     C  28          2H4         C  28   3.461   2.542   8.156
   20    H5     C  28           H5         C  28   3.210  -1.157   8.271
   21    H6     C  28           H6         C  28   5.148  -2.537   8.299
   22   1H2*    C  28          1H2*        C  28   7.784  -1.310  10.353
   23   1H5*    A  29          1H5*        A  29  10.610  -2.441  12.061
   24   2H5*    A  29          2H5*        A  29  10.390  -2.519  13.820
   25    H4*    A  29           H4*        A  29  11.320  -0.311  12.963
   26    H3*    A  29           H3*        A  29   8.649  -0.310  14.412
   27   2HO*    A  29          2HO*        A  29  10.875   2.986  13.560
   28    H1*    A  29           H1*        A  29   9.751   2.190  11.788
   29    H8     A  29           H8         A  29   6.937  -0.352  12.536
   30   1H6     A  29          1H6         A  29   3.049   4.356  11.524
   31   2H6     A  29          2H6         A  29   3.176   2.633  11.804
   32    H2     A  29           H2         A  29   7.223   5.960  11.528
   33   1H2*    A  29          1H2*        A  29   8.906   2.116  14.414
   34   1H5*    G  30          1H5*        G  30  11.482   2.487  16.405
   35   2H5*    G  30          2H5*        G  30  11.107   2.486  18.137
   36    H4*    G  30           H4*        G  30  11.013   4.771  17.032
   37    H3*    G  30           H3*        G  30   8.489   3.654  18.294
   38   2HO*    G  30          2HO*        G  30   9.058   7.519  17.162
   39    H1*    G  30           H1*        G  30   8.607   6.128  15.440
   40    H8     G  30           H8         G  30   7.261   2.625  16.280
   41    H1     G  30           H1         G  30   2.762   6.859  14.600
   42   1H2     G  30          1H2         G  30   5.324   9.209  14.788
   43   2H2     G  30          2H2         G  30   3.628   8.900  14.489
   44   1H2*    G  30          1H2*        G  30   7.619   5.918  18.009
   45   1H5*    A  31          1H5*        A  31   9.603   7.605  20.083
   46   2H5*    A  31          2H5*        A  31   9.310   7.482  21.828
   47    H4*    A  31           H4*        A  31   8.242   9.506  20.729
   48    H3*    A  31           H3*        A  31   6.445   7.448  22.064
   49   2HO*    A  31          2HO*        A  31   5.344  11.217  21.014
   50    H1*    A  31           H1*        A  31   5.578   9.849  19.239
   51    H8     A  31           H8         A  31   5.595   6.067  19.523
   52   1H6     A  31          1H6         A  31   0.855   5.237  18.763
   53   2H6     A  31          2H6         A  31  -0.542   6.284  18.731
   54    H2     A  31           H2         A  31   0.940  10.455  19.280
   55   1H2*    A  31          1H2*        A  31   4.711   9.126  21.788
   56   1H5*    C  32          1H5*        C  32   5.066  10.797  23.879
   57   2H5*    C  32          2H5*        C  32   5.088  10.568  25.636
   58    H4*    C  32           H4*        C  32   2.809  11.148  24.820
   59    H3*    C  32           H3*        C  32   3.081   8.294  25.870
   60   2HO*    C  32          2HO*        C  32   0.345  10.320  26.508
   61    H1*    C  32           H1*        C  32   0.679   9.643  23.246
   62   1H4     C  32          1H4         C  32  -0.124   3.450  21.842
   63   2H4     C  32          2H4         C  32   1.609   3.248  21.714
   64    H5     C  32           H5         C  32   3.204   5.012  22.344
   65    H6     C  32           H6         C  32   3.433   7.228  23.150
   66   1H2*    C  32          1H2*        C  32   0.709   8.196  25.651
   67   1H5*    U  33          1H5*        U  33   0.852   8.644  28.906
   68   2H5*    U  33          2H5*        U  33   1.783   8.459  30.410
   69    H4*    U  33           H4*        U  33   0.128   6.630  30.144
   70    H3*    U  33           H3*        U  33   3.023   5.735  29.814
   71   2HO*    U  33          2HO*        U  33   1.008   3.702  31.601
   72    H1*    U  33           H1*        U  33  -0.413   4.485  28.722
   73    H3     U  33           H3         U  33   0.383   1.227  25.582
   74    H5     U  33           H5         U  33   3.477   4.009  24.979
   75    H6     U  33           H6         U  33   2.756   5.171  26.922
   76   1H2*    U  33          1H2*        U  33   2.206   3.565  29.622
   77    HN3  U8U  34           HN3      U8U  34  -3.906  -0.821  33.431
   78    H6   U8U  34           H6       U8U  34  -0.589   2.581  32.797
   79   1HC   U8U  34          1HC       U8U  34  -4.007   3.816  33.271
   80   2HC   U8U  34          2HC       U8U  34  -2.310   4.282  33.375
   81   1HN   U8U  34          1HN       U8U  34  -3.685   3.388  30.940
   82   1HA   U8U  34          1HA       U8U  34  -2.727   6.074  31.644
   83   2HA   U8U  34          2HA       U8U  34  -3.410   5.578  30.080
   84   3HA   U8U  34          3HA       U8U  34  -4.432   5.578  31.528
   85    H1*  U8U  34           H1*      U8U  34   0.668  -0.734  33.901
   86    H2*  U8U  34           H2*      U8U  34   0.318   0.001  31.079
   87   2HO*  U8U  34          2HO*      U8U  34   2.107  -1.724  32.536
   88    H3*  U8U  34           H3*      U8U  34   1.988   1.581  31.090
   89    H4*  U8U  34           H4*      U8U  34   3.144   0.383  33.623
   90   1H5*  U8U  34          1H5*      U8U  34   3.402   2.741  34.289
   91   2H5*  U8U  34          2H5*      U8U  34   4.244   2.422  32.753
   92   2HN   U8U  34          2HN       U8U  34  -2.111   3.845  31.035
   93   1H5*    U  35          1H5*        U  35   2.336  -2.910  29.851
   94   2H5*    U  35          2H5*        U  35   2.622  -2.539  28.141
   95    H4*    U  35           H4*        U  35   0.557  -3.922  28.522
   96    H3*    U  35           H3*        U  35   0.183  -1.144  27.353
   97   2HO*    U  35          2HO*        U  35  -2.527  -4.143  27.071
   98    H1*    U  35           H1*        U  35  -2.014  -3.613  29.204
   99    H3     U  35           H3         U  35  -5.743  -1.057  30.139
  100    H5     U  35           H5         U  35  -2.665   1.778  29.754
  101    H6     U  35           H6         U  35  -1.184   0.005  29.133
  102   1H2*    U  35          1H2*        U  35  -2.052  -1.881  26.906
  103   1H5*    U  36          1H5*        U  36  -1.137  -4.167  24.396
  104   2H5*    U  36          2H5*        U  36  -0.917  -3.506  22.766
  105    H4*    U  36           H4*        U  36  -3.299  -4.212  23.338
  106    H3*    U  36           H3*        U  36  -2.756  -1.306  22.630
  107   2HO*    U  36          2HO*        U  36  -5.167  -3.453  21.627
  108    H1*    U  36           H1*        U  36  -5.520  -2.721  24.805
  109    H3     U  36           H3         U  36  -6.995   1.496  25.902
  110    H5     U  36           H5         U  36  -2.810   1.848  25.859
  111    H6     U  36           H6         U  36  -2.674  -0.354  24.981
  112   1H2*    U  36          1H2*        U  36  -5.189  -1.119  22.533
  113   1H5*  T6A  37          1H5*      T6A  37  -5.621  -1.920  18.338
  114   2H5*  T6A  37          2H5*      T6A  37  -5.957  -2.653  19.924
  115    H4*  T6A  37           H4*      T6A  37  -7.916  -1.397  19.396
  116    H3*  T6A  37           H3*      T6A  37  -5.970   0.765  18.554
  117    H2*  T6A  37           H2*      T6A  37  -7.578   2.399  19.236
  118   *HO2  T6A  37          *HO2      T6A  37  -9.483   0.237  19.221
  119    H1*  T6A  37           H1*      T6A  37  -8.662   0.902  21.361
  120    H8   T6A  37           H8       T6A  37  -4.879   1.197  21.244
  121    H2   T6A  37           H2       T6A  37  -9.752   5.202  22.834
  122    HN6  T6A  37           HN6      T6A  37  -4.371   5.469  23.378
  123    HN1  T6A  37           HN1      T6A  37  -7.426   7.287  23.964
  124    H12  T6A  37           H12      T6A  37  -5.925   9.731  24.238
  125    H14  T6A  37           H14      T6A  37  -8.077  10.453  25.578
  126    HO4  T6A  37           HO4      T6A  37  -8.654   8.312  26.058
  127   1H15  T6A  37          1H15      T6A  37  -9.430  10.500  23.466
  128   2H15  T6A  37          2H15      T6A  37  -7.773  11.073  23.201
  129   3H15  T6A  37          3H15      T6A  37  -8.238   9.427  22.702
  130   1H5*    A  38          1H5*        A  38  -9.769   2.346  16.858
  131   2H5*    A  38          2H5*        A  38  -9.163   3.033  15.339
  132    H4*    A  38           H4*        A  38 -10.248   4.715  16.933
  133    H3*    A  38           H3*        A  38  -7.364   5.070  16.051
  134   2HO*    A  38          2HO*        A  38  -9.634   7.910  17.874
  135    H1*    A  38           H1*        A  38  -8.882   6.328  19.301
  136    H8     A  38           H8         A  38  -6.051   3.997  18.136
  137   1H6     A  38          1H6         A  38  -2.363   6.211  20.375
  138   2H6     A  38          2H6         A  38  -2.212   7.735  21.219
  139    H2     A  38           H2         A  38  -6.252   9.646  21.134
  140   1H2*    A  38          1H2*        A  38  -7.553   7.267  17.082
  141    HN1  PSU  39           HN1      PSU  39  -3.150   5.400  15.349
  142    HN3  PSU  39           HN3      PSU  39  -0.645   7.726  17.633
  143    H6   PSU  39           H6       PSU  39  -4.779   7.202  15.273
  144    H1*  PSU  39           H1*      PSU  39  -4.586  10.267  17.319
  145    H2*  PSU  39           H2*      PSU  39  -3.422  10.153  14.744
  146   *HO2  PSU  39          *HO2      PSU  39  -5.278  12.032  15.896
  147    H3*  PSU  39           H3*      PSU  39  -5.320   9.178  13.677
  148    H4*  PSU  39           H4*      PSU  39  -7.095  10.732  15.576
  149   1H5*  PSU  39          1H5*      PSU  39  -8.569   8.820  15.365
  150   2H5*  PSU  39          2H5*      PSU  39  -8.106   9.309  13.718
  151   1H5*    C  40          1H5*        C  40  -3.677  13.483  13.730
  152   2H5*    C  40          2H5*        C  40  -3.122  13.609  12.051
  153    H4*    C  40           H4*        C  40  -1.321  13.982  13.844
  154    H3*    C  40           H3*        C  40  -1.038  11.844  11.709
  155   2HO*    C  40          2HO*        C  40   0.745  13.948  14.019
  156    H1*    C  40           H1*        C  40   0.475  12.011  15.204
  157   1H4     C  40          1H4         C  40  -0.174   5.503  13.770
  158   2H4     C  40          2H4         C  40   1.326   5.660  14.657
  159    H5     C  40           H5         C  40  -1.497   7.445  13.044
  160    H6     C  40           H6         C  40  -1.652   9.820  13.084
  161   1H2*    C  40          1H2*        C  40   1.220  11.571  12.513
  162   1H5*    U  41          1H5*        U  41   2.559  14.411  11.423
  163   2H5*    U  41          2H5*        U  41   2.914  14.581   9.692
  164    H4*    U  41           H4*        U  41   4.844  13.648  11.029
  165    H3*    U  41           H3*        U  41   3.609  11.842   8.916
  166   2HO*    U  41          2HO*        U  41   7.180  11.215  10.738
  167    H1*    U  41           H1*        U  41   5.431  10.866  12.093
  168    H3     U  41           H3         U  41   4.479   6.410  11.457
  169    H5     U  41           H5         U  41   0.998   8.398  10.198
  170    H6     U  41           H6         U  41   2.137  10.459  10.433
  171   1H2*    U  41          1H2*        U  41   5.524  10.419   9.331
  172   1H5*    G  42          1H5*        G  42   8.058  12.588   8.239
  173   2H5*    G  42          2H5*        G  42   8.277  12.612   6.478
  174    H4*    G  42           H4*        G  42   9.851  11.044   7.663
  175    H3*    G  42           H3*        G  42   7.841   9.820   5.736
  176   2HO*    G  42          2HO*        G  42  11.099   7.931   7.256
  177    H1*    G  42           H1*        G  42   9.407   8.116   8.740
  178    H8     G  42           H8         G  42   5.967   9.050   7.245
  179    H1     G  42           H1         G  42   6.667   2.853   8.706
  180   1H2     G  42          1H2         G  42   9.992   3.680   9.325
  181   2H2     G  42          2H2         G  42   8.766   2.433   9.291
  182   1H2*    G  42          1H2*        G  42   9.159   7.796   6.002
  183   1H5*    A  43          1H5*        A  43  11.880   8.584   4.484
  184   2H5*    A  43          2H5*        A  43  11.893   8.634   2.710
  185    H4*    A  43           H4*        A  43  12.607   6.416   3.623
  186    H3*    A  43           H3*        A  43  10.012   6.450   2.030
  187   2HO*    A  43          2HO*        A  43  12.110   3.125   3.019
  188    H1*    A  43           H1*        A  43  10.919   3.989   4.767
  189    H8     A  43           H8         A  43   8.261   6.646   3.929
  190   1H6     A  43          1H6         A  43   4.099   2.135   4.711
  191   2H6     A  43          2H6         A  43   4.328   3.850   4.450
  192    H2     A  43           H2         A  43   8.182   0.320   4.893
  193    H3T    A  43           H3T        A  43  11.965   7.150   0.968
  194   1H2*    A  43          1H2*        A  43  10.195   4.043   2.100
  Start of MODEL    7
    1   1H5*    U  27          1H5*        U  27   1.140  -7.216   4.290
    2   2H5*    U  27          2H5*        U  27   1.375  -7.656   5.996
    3    H4*    U  27           H4*        U  27   3.355  -6.468   5.060
    4    H3*    U  27           H3*        U  27   1.805  -4.869   7.135
    5   2HO*    U  27          2HO*        U  27   5.593  -4.097   5.920
    6    H1*    U  27           H1*        U  27   4.073  -3.805   4.294
    7    H3     U  27           H3         U  27   3.334   0.713   4.809
    8    H5     U  27           H5         U  27  -0.374  -1.036   5.722
    9    H6     U  27           H6         U  27   0.649  -3.180   5.581
   10    H5*    U  27           H5*        U  27  -0.673  -6.710   5.593
   11   1H2*    U  27          1H2*        U  27   3.709  -3.404   7.076
   12   1H5*    C  28          1H5*        C  28   6.137  -5.900   8.288
   13   2H5*    C  28          2H5*        C  28   6.185  -6.026  10.058
   14    H4*    C  28           H4*        C  28   7.958  -4.495   9.063
   15    H3*    C  28           H3*        C  28   5.903  -3.302  10.958
   16   2HO*    C  28          2HO*        C  28   9.362  -1.509   9.802
   17    H1*    C  28           H1*        C  28   7.840  -1.615   8.167
   18   1H4     C  28          1H4         C  28   2.132   1.759   9.109
   19   2H4     C  28          2H4         C  28   3.374   2.967   8.866
   20    H5     C  28           H5         C  28   2.633  -0.641   9.306
   21    H6     C  28           H6         C  28   4.353  -2.282   9.244
   22   1H2*    C  28          1H2*        C  28   7.340  -1.339  10.913
   23   1H5*    A  29          1H5*        A  29  10.053  -2.579  12.481
   24   2H5*    A  29          2H5*        A  29   9.971  -2.578  14.254
   25    H4*    A  29           H4*        A  29  10.963  -0.468  13.248
   26    H3*    A  29           H3*        A  29   8.406  -0.234  14.873
   27   2HO*    A  29          2HO*        A  29  10.771   2.873  13.742
   28    H1*    A  29           H1*        A  29   9.485   2.084  12.074
   29    H8     A  29           H8         A  29   6.572  -0.246  13.064
   30   1H6     A  29          1H6         A  29   2.923   4.671  12.173
   31   2H6     A  29          2H6         A  29   2.963   2.951  12.488
   32    H2     A  29           H2         A  29   7.177   6.016  11.885
   33   1H2*    A  29          1H2*        A  29   8.810   2.164  14.749
   34   1H5*    G  30          1H5*        G  30  11.487   2.481  16.570
   35   2H5*    G  30          2H5*        G  30  11.228   2.538  18.324
   36    H4*    G  30           H4*        G  30  11.153   4.796  17.180
   37    H3*    G  30           H3*        G  30   8.667   3.809  18.611
   38   2HO*    G  30          2HO*        G  30  10.392   6.702  17.236
   39    H1*    G  30           H1*        G  30   8.721   6.208  15.674
   40    H8     G  30           H8         G  30   7.282   2.776  16.680
   41    H1     G  30           H1         G  30   2.897   7.100  14.925
   42   1H2     G  30          1H2         G  30   5.548   9.357  14.939
   43   2H2     G  30          2H2         G  30   3.835   9.098  14.693
   44   1H2*    G  30          1H2*        G  30   7.820   6.059  18.287
   45   1H5*    A  31          1H5*        A  31   9.788   7.781  20.250
   46   2H5*    A  31          2H5*        A  31   9.500   7.714  21.999
   47    H4*    A  31           H4*        A  31   8.333   9.629  20.831
   48    H3*    A  31           H3*        A  31   6.645   7.530  22.236
   49   2HO*    A  31          2HO*        A  31   6.724  10.905  20.894
   50    H1*    A  31           H1*        A  31   5.562   9.656  19.275
   51    H8     A  31           H8         A  31   6.042   5.942  20.088
   52   1H6     A  31          1H6         A  31   0.044   5.252  18.752
   53   2H6     A  31          2H6         A  31   1.540   4.423  19.120
   54    H2     A  31           H2         A  31   0.971   9.627  18.789
   55   1H2*    A  31          1H2*        A  31   4.793   9.045  21.865
   56   1H5*    C  32          1H5*        C  32   5.054  10.946  23.870
   57   2H5*    C  32          2H5*        C  32   5.007  10.774  25.633
   58    H4*    C  32           H4*        C  32   2.744  11.228  24.692
   59    H3*    C  32           H3*        C  32   3.080   8.425  25.851
   60   2HO*    C  32          2HO*        C  32  -0.463  10.130  24.908
   61    H1*    C  32           H1*        C  32   0.759   9.596  23.075
   62   1H4     C  32          1H4         C  32   0.212   3.317  21.922
   63   2H4     C  32          2H4         C  32   1.955   3.163  21.894
   64    H5     C  32           H5         C  32   3.461   5.004  22.516
   65    H6     C  32           H6         C  32   3.584   7.266  23.212
   66   1H2*    C  32          1H2*        C  32   0.722   8.235  25.533
   67   1H5*    U  33          1H5*        U  33   0.715   8.731  28.729
   68   2H5*    U  33          2H5*        U  33   1.545   8.617  30.299
   69    H4*    U  33           H4*        U  33   0.002   6.690  29.912
   70    H3*    U  33           H3*        U  33   2.966   5.978  29.902
   71   2HO*    U  33          2HO*        U  33   0.751   3.913  31.478
   72    H1*    U  33           H1*        U  33  -0.135   4.388  28.326
   73    H3     U  33           H3         U  33   1.936   1.122  25.838
   74    H5     U  33           H5         U  33   4.318   4.541  25.281
   75    H6     U  33           H6         U  33   3.057   5.646  26.955
   76   1H2*    U  33          1H2*        U  33   2.280   3.737  29.740
   77    HN3  U8U  34           HN3      U8U  34  -4.235  -0.799  32.988
   78    H6   U8U  34           H6       U8U  34  -0.916   2.600  32.353
   79   1HC   U8U  34          1HC       U8U  34  -4.382   3.799  32.376
   80   2HC   U8U  34          2HC       U8U  34  -2.709   4.310  32.600
   81   1HN   U8U  34          1HN       U8U  34  -3.814   3.154  30.138
   82   1HA   U8U  34          1HA       U8U  34  -3.010   5.925  30.680
   83   2HA   U8U  34          2HA       U8U  34  -3.493   5.264  29.103
   84   3HA   U8U  34          3HA       U8U  34  -4.676   5.356  30.421
   85    H1*  U8U  34           H1*      U8U  34   0.300  -0.618  33.769
   86    H2*  U8U  34           H2*      U8U  34   0.180   0.061  30.915
   87   2HO*  U8U  34          2HO*      U8U  34   0.551  -2.037  31.884
   88    H3*  U8U  34           H3*      U8U  34   1.756   1.733  31.076
   89    H4*  U8U  34           H4*      U8U  34   2.736   0.556  33.689
   90   1H5*  U8U  34          1H5*      U8U  34   2.878   2.918  34.386
   91   2H5*  U8U  34          2H5*      U8U  34   3.887   2.608  32.953
   92   2HN   U8U  34          2HN       U8U  34  -2.270   3.671  30.346
   93   1H5*    U  35          1H5*        U  35   2.506  -2.775  29.983
   94   2H5*    U  35          2H5*        U  35   2.921  -2.458  28.289
   95    H4*    U  35           H4*        U  35   0.946  -4.001  28.585
   96    H3*    U  35           H3*        U  35   0.519  -1.356  27.151
   97   2HO*    U  35          2HO*        U  35  -0.266  -4.474  26.269
   98    H1*    U  35           H1*        U  35  -1.779  -3.758  28.981
   99    H3     U  35           H3         U  35  -5.638  -1.235  29.031
  100    H5     U  35           H5         U  35  -2.568   1.632  29.013
  101    H6     U  35           H6         U  35  -0.985  -0.137  28.764
  102   1H2*    U  35          1H2*        U  35  -1.598  -2.334  26.505
  103   1H5*    U  36          1H5*        U  36  -0.610  -4.454  24.257
  104   2H5*    U  36          2H5*        U  36  -0.126  -3.860  22.656
  105    H4*    U  36           H4*        U  36  -2.599  -4.388  22.882
  106    H3*    U  36           H3*        U  36  -1.795  -1.520  22.280
  107   2HO*    U  36          2HO*        U  36  -5.546  -3.042  21.917
  108    H1*    U  36           H1*        U  36  -4.905  -2.788  24.046
  109    H3     U  36           H3         U  36  -6.280   1.518  24.939
  110    H5     U  36           H5         U  36  -2.113   1.641  25.451
  111    H6     U  36           H6         U  36  -1.985  -0.583  24.631
  112   1H2*    U  36          1H2*        U  36  -4.171  -1.183  21.875
  113   1H5*  T6A  37          1H5*      T6A  37  -4.161  -2.201  17.602
  114   2H5*  T6A  37          2H5*      T6A  37  -4.593  -3.022  19.120
  115    H4*  T6A  37           H4*      T6A  37  -6.588  -1.895  18.442
  116    H3*  T6A  37           H3*      T6A  37  -4.743   0.434  17.862
  117    H2*  T6A  37           H2*      T6A  37  -6.515   1.924  18.443
  118   *HO2  T6A  37          *HO2      T6A  37  -8.708   1.120  18.554
  119    H1*  T6A  37           H1*      T6A  37  -7.688   0.270  20.400
  120    H8   T6A  37           H8       T6A  37  -3.926   0.952  20.498
  121    H2   T6A  37           H2       T6A  37  -9.288   4.206  22.226
  122    HN6  T6A  37           HN6      T6A  37  -3.993   5.080  22.953
  123    HN1  T6A  37           HN1      T6A  37  -7.261   6.461  23.577
  124    H12  T6A  37           H12      T6A  37  -6.086   9.045  24.046
  125    H14  T6A  37           H14      T6A  37  -8.332   9.408  25.374
  126    HO4  T6A  37           HO4      T6A  37  -8.636   7.186  25.718
  127   1H15  T6A  37          1H15      T6A  37  -9.653   9.420  23.247
  128   2H15  T6A  37          2H15      T6A  37  -8.072  10.196  23.036
  129   3H15  T6A  37          3H15      T6A  37  -8.338   8.537  22.443
  130   1H5*    A  38          1H5*        A  38  -8.582   1.665  15.809
  131   2H5*    A  38          2H5*        A  38  -7.910   2.512  14.405
  132    H4*    A  38           H4*        A  38  -9.397   3.916  15.949
  133    H3*    A  38           H3*        A  38  -6.538   4.741  15.358
  134   2HO*    A  38          2HO*        A  38  -9.793   5.828  16.578
  135    H1*    A  38           H1*        A  38  -8.478   5.606  18.501
  136    H8     A  38           H8         A  38  -5.240   3.793  17.456
  137   1H6     A  38          1H6         A  38  -2.270   7.837  21.065
  138   2H6     A  38          2H6         A  38  -2.120   6.371  20.123
  139    H2     A  38           H2         A  38  -6.540   9.121  20.752
  140   1H2*    A  38          1H2*        A  38  -7.130   6.837  16.433
  141    HN1  PSU  39           HN1      PSU  39  -2.456   5.766  15.352
  142    HN3  PSU  39           HN3      PSU  39  -0.621   8.400  17.920
  143    H6   PSU  39           H6       PSU  39  -4.314   7.307  15.069
  144    H1*  PSU  39           H1*      PSU  39  -4.821  10.343  17.105
  145    H2*  PSU  39           H2*      PSU  39  -3.354  10.429  14.682
  146   *HO2  PSU  39          *HO2      PSU  39  -4.042  12.202  16.041
  147    H3*  PSU  39           H3*      PSU  39  -4.967   9.254  13.375
  148    H4*  PSU  39           H4*      PSU  39  -7.154  10.454  15.092
  149   1H5*  PSU  39          1H5*      PSU  39  -8.264   8.328  14.711
  150   2H5*  PSU  39          2H5*      PSU  39  -7.733   8.950  13.130
  151   1H5*    C  40          1H5*        C  40  -3.654  13.549  13.628
  152   2H5*    C  40          2H5*        C  40  -3.055  13.759  11.971
  153    H4*    C  40           H4*        C  40  -1.307  14.133  13.789
  154    H3*    C  40           H3*        C  40  -0.885  11.980  11.687
  155   2HO*    C  40          2HO*        C  40   1.993  13.464  14.140
  156    H1*    C  40           H1*        C  40   0.496  12.180  15.217
  157   1H4     C  40          1H4         C  40   0.156   5.712  13.561
  158   2H4     C  40          2H4         C  40   1.672   5.917  14.410
  159    H5     C  40           H5         C  40  -1.284   7.607  12.940
  160    H6     C  40           H6         C  40  -1.557   9.967  13.062
  161   1H2*    C  40          1H2*        C  40   1.378  11.881  12.566
  162   1H5*    U  41          1H5*        U  41   2.587  14.688  11.523
  163   2H5*    U  41          2H5*        U  41   2.995  14.883   9.806
  164    H4*    U  41           H4*        U  41   4.923  14.067  11.197
  165    H3*    U  41           H3*        U  41   3.856  12.178   9.064
  166   2HO*    U  41          2HO*        U  41   6.688  13.003  11.158
  167    H1*    U  41           H1*        U  41   5.641  11.325  12.305
  168    H3     U  41           H3         U  41   4.903   6.815  11.752
  169    H5     U  41           H5         U  41   1.382   8.615  10.334
  170    H6     U  41           H6         U  41   2.419  10.731  10.561
  171   1H2*    U  41          1H2*        U  41   5.786  10.829   9.546
  172   1H5*    G  42          1H5*        G  42   8.182  12.718   8.302
  173   2H5*    G  42          2H5*        G  42   8.373  12.728   6.538
  174    H4*    G  42           H4*        G  42   9.770  10.983   7.682
  175    H3*    G  42           H3*        G  42   7.580   9.987   5.820
  176   2HO*    G  42          2HO*        G  42  10.837   8.828   6.065
  177    H1*    G  42           H1*        G  42   8.978   8.112   8.790
  178    H8     G  42           H8         G  42   5.659   9.506   7.390
  179    H1     G  42           H1         G  42   5.582   3.249   8.749
  180   1H2     G  42          1H2         G  42   9.003   3.623   9.278
  181   2H2     G  42          2H2         G  42   7.623   2.548   9.266
  182   1H2*    G  42          1H2*        G  42   8.670   7.827   6.059
  183   1H5*    A  43          1H5*        A  43  11.363   8.208   4.184
  184   2H5*    A  43          2H5*        A  43  11.149   8.311   2.426
  185    H4*    A  43           H4*        A  43  11.615   5.986   3.207
  186    H3*    A  43           H3*        A  43   8.863   6.468   1.994
  187   2HO*    A  43          2HO*        A  43  10.548   2.833   2.620
  188    H1*    A  43           H1*        A  43   9.783   3.807   4.537
  189    H8     A  43           H8         A  43   7.410   6.812   4.105
  190   1H6     A  43          1H6         A  43   2.844   2.866   5.481
  191   2H6     A  43          2H6         A  43   3.255   4.542   5.191
  192    H2     A  43           H2         A  43   6.636   0.534   5.078
  193    H3T    A  43           H3T        A  43  11.355   5.493   0.986
  194   1H2*    A  43          1H2*        A  43   8.684   4.061   2.006
  Start of MODEL    8
    1   1H5*    U  27          1H5*        U  27   1.677  -6.945   3.644
    2   2H5*    U  27          2H5*        U  27   1.931  -7.473   5.322
    3    H4*    U  27           H4*        U  27   3.875  -6.193   4.446
    4    H3*    U  27           H3*        U  27   2.306  -4.714   6.594
    5   2HO*    U  27          2HO*        U  27   6.071  -3.819   5.399
    6    H1*    U  27           H1*        U  27   4.537  -3.489   3.792
    7    H3     U  27           H3         U  27   3.714   0.989   4.499
    8    H5     U  27           H5         U  27   0.044  -0.869   5.354
    9    H6     U  27           H6         U  27   1.109  -2.985   5.121
   10    H5*    U  27           H5*        U  27   0.627  -5.768   6.001
   11   1H2*    U  27          1H2*        U  27   4.179  -3.214   6.590
   12   1H5*    C  28          1H5*        C  28   6.662  -5.717   7.682
   13   2H5*    C  28          2H5*        C  28   6.734  -5.878   9.448
   14    H4*    C  28           H4*        C  28   8.456  -4.287   8.455
   15    H3*    C  28           H3*        C  28   6.409  -3.211  10.422
   16   2HO*    C  28          2HO*        C  28   9.652  -2.670   8.936
   17    H1*    C  28           H1*        C  28   8.278  -1.415   7.636
   18   1H4     C  28          1H4         C  28   2.489   1.843   8.575
   19   2H4     C  28          2H4         C  28   3.693   3.072   8.259
   20    H5     C  28           H5         C  28   3.056  -0.536   8.837
   21    H6     C  28           H6         C  28   4.818  -2.136   8.783
   22   1H2*    C  28          1H2*        C  28   7.702  -1.177  10.388
   23   1H5*    A  29          1H5*        A  29  10.637  -2.470  11.865
   24   2H5*    A  29          2H5*        A  29  10.598  -2.458  13.638
   25    H4*    A  29           H4*        A  29  11.566  -0.361  12.573
   26    H3*    A  29           H3*        A  29   9.077  -0.114  14.300
   27   2HO*    A  29          2HO*        A  29  11.934   1.713  14.149
   28    H1*    A  29           H1*        A  29  10.022   2.197  11.455
   29    H8     A  29           H8         A  29   7.169  -0.133  12.626
   30   1H6     A  29          1H6         A  29   3.475   4.782  11.958
   31   2H6     A  29          2H6         A  29   3.535   3.062  12.268
   32    H2     A  29           H2         A  29   7.702   6.125  11.397
   33   1H2*    A  29          1H2*        A  29   9.492   2.288  14.158
   34   1H5*    G  30          1H5*        G  30  12.000   2.728  15.918
   35   2H5*    G  30          2H5*        G  30  11.836   2.690  17.684
   36    H4*    G  30           H4*        G  30  11.538   4.979  16.678
   37    H3*    G  30           H3*        G  30   9.149   3.754  18.099
   38   2HO*    G  30          2HO*        G  30   9.508   7.657  17.020
   39    H1*    G  30           H1*        G  30   8.987   6.294  15.296
   40    H8     G  30           H8         G  30   7.844   2.712  16.045
   41    H1     G  30           H1         G  30   3.062   6.825  14.931
   42   1H2     G  30          1H2         G  30   5.536   9.273  15.063
   43   2H2     G  30          2H2         G  30   3.838   8.904  14.857
   44   1H2*    G  30          1H2*        G  30   8.185   5.986  17.919
   45   1H5*    A  31          1H5*        A  31  10.087   7.666  19.920
   46   2H5*    A  31          2H5*        A  31   9.836   7.515  21.669
   47    H4*    A  31           H4*        A  31   8.544   9.406  20.588
   48    H3*    A  31           H3*        A  31   7.010   7.171  21.958
   49   2HO*    A  31          2HO*        A  31   6.865  10.584  20.726
   50    H1*    A  31           H1*        A  31   5.743   9.327  19.092
   51    H8     A  31           H8         A  31   6.451   5.619  19.729
   52   1H6     A  31          1H6         A  31   0.472   4.644  18.492
   53   2H6     A  31          2H6         A  31   2.020   3.888  18.792
   54    H2     A  31           H2         A  31   1.149   9.060  18.714
   55   1H2*    A  31          1H2*        A  31   5.064   8.586  21.675
   56   1H5*    C  32          1H5*        C  32   5.446  10.667  23.762
   57   2H5*    C  32          2H5*        C  32   5.387  10.407  25.515
   58    H4*    C  32           H4*        C  32   3.151  10.999  24.544
   59    H3*    C  32           H3*        C  32   3.416   8.204  25.733
   60   2HO*    C  32          2HO*        C  32   1.105  10.800  24.816
   61    H1*    C  32           H1*        C  32   1.104   9.385  22.942
   62   1H4     C  32          1H4         C  32   0.580   3.098  21.742
   63   2H4     C  32          2H4         C  32   2.315   2.912  21.867
   64    H5     C  32           H5         C  32   3.797   4.730  22.605
   65    H6     C  32           H6         C  32   3.900   7.002  23.281
   66   1H2*    C  32          1H2*        C  32   1.072   8.003  25.395
   67   1H5*    U  33          1H5*        U  33   0.939   8.697  28.529
   68   2H5*    U  33          2H5*        U  33   1.709   8.638  30.131
   69    H4*    U  33           H4*        U  33   0.069   6.788  29.828
   70    H3*    U  33           H3*        U  33   2.978   5.885  29.932
   71   2HO*    U  33          2HO*        U  33   0.573   4.120  31.611
   72    H1*    U  33           H1*        U  33  -0.182   4.390  28.395
   73    H3     U  33           H3         U  33   1.754   0.824  26.235
   74    H5     U  33           H5         U  33   4.326   4.057  25.459
   75    H6     U  33           H6         U  33   3.105   5.356  27.018
   76   1H2*    U  33          1H2*        U  33   2.129   3.688  29.944
   77    HN3  U8U  34           HN3      U8U  34  -4.878   0.117  33.321
   78    H6   U8U  34           H6       U8U  34  -1.226   3.137  32.604
   79   1HC   U8U  34          1HC       U8U  34  -4.557   4.669  32.477
   80   2HC   U8U  34          2HC       U8U  34  -2.850   5.025  32.744
   81   1HN   U8U  34          1HN       U8U  34  -3.968   3.859  30.293
   82   1HA   U8U  34          1HA       U8U  34  -2.968   6.579  30.756
   83   2HA   U8U  34          2HA       U8U  34  -3.419   5.887  29.182
   84   3HA   U8U  34          3HA       U8U  34  -4.657   6.129  30.429
   85    H1*  U8U  34           H1*      U8U  34  -0.379  -0.084  34.259
   86    H2*  U8U  34           H2*      U8U  34  -0.360   0.353  31.356
   87   2HO*  U8U  34          2HO*      U8U  34   1.145  -1.288  33.184
   88    H3*  U8U  34           H3*      U8U  34   1.387   1.853  31.420
   89    H4*  U8U  34           H4*      U8U  34   2.180   0.820  34.157
   90   1H5*  U8U  34          1H5*      U8U  34   2.557   3.205  34.649
   91   2H5*  U8U  34          2H5*      U8U  34   3.545   2.676  33.266
   92   2HN   U8U  34          2HN       U8U  34  -2.395   4.256  30.541
   93   1H5*    U  35          1H5*        U  35   1.635  -2.776  30.706
   94   2H5*    U  35          2H5*        U  35   2.096  -2.632  29.000
   95    H4*    U  35           H4*        U  35  -0.045  -3.905  29.351
   96    H3*    U  35           H3*        U  35  -0.178  -1.302  27.792
   97   2HO*    U  35          2HO*        U  35  -1.618  -4.560  28.149
   98    H1*    U  35           H1*        U  35  -2.667  -3.422  29.722
   99    H3     U  35           H3         U  35  -6.325  -0.612  29.996
  100    H5     U  35           H5         U  35  -3.083   2.018  29.515
  101    H6     U  35           H6         U  35  -1.648   0.118  29.275
  102   1H2*    U  35          1H2*        U  35  -2.403  -1.966  27.248
  103   1H5*    U  36          1H5*        U  36  -1.497  -4.531  25.068
  104   2H5*    U  36          2H5*        U  36  -1.021  -4.075  23.421
  105    H4*    U  36           H4*        U  36  -3.511  -4.473  23.739
  106    H3*    U  36           H3*        U  36  -2.587  -1.706  22.889
  107   2HO*    U  36          2HO*        U  36  -5.234  -3.530  21.631
  108    H1*    U  36           H1*        U  36  -5.715  -2.645  24.800
  109    H3     U  36           H3         U  36  -6.840   1.793  25.289
  110    H5     U  36           H5         U  36  -2.669   1.726  25.776
  111    H6     U  36           H6         U  36  -2.671  -0.564  25.152
  112   1H2*    U  36          1H2*        U  36  -4.956  -1.300  22.468
  113   1H5*  T6A  37          1H5*      T6A  37  -4.908  -2.417  18.151
  114   2H5*  T6A  37          2H5*      T6A  37  -5.438  -3.265  19.620
  115    H4*  T6A  37           H4*      T6A  37  -7.360  -2.057  18.967
  116    H3*  T6A  37           H3*      T6A  37  -5.454   0.222  18.358
  117    H2*  T6A  37           H2*      T6A  37  -7.265   1.732  18.846
  118   *HO2  T6A  37          *HO2      T6A  37  -8.761   0.245  17.557
  119    H1*  T6A  37           H1*      T6A  37  -8.397   0.187  20.889
  120    H8   T6A  37           H8       T6A  37  -4.621   0.724  20.969
  121    H2   T6A  37           H2       T6A  37  -9.838   4.333  22.409
  122    HN6  T6A  37           HN6      T6A  37  -4.518   4.985  23.175
  123    HN1  T6A  37           HN1      T6A  37  -7.718   6.570  23.649
  124    H12  T6A  37           H12      T6A  37  -6.410   9.113  24.011
  125    H14  T6A  37           H14      T6A  37  -8.665   9.660  25.263
  126    HO4  T6A  37           HO4      T6A  37 -10.242   8.090  24.788
  127   1H15  T6A  37          1H15      T6A  37  -8.303  10.337  22.911
  128   2H15  T6A  37          2H15      T6A  37  -8.621   8.669  22.370
  129   3H15  T6A  37          3H15      T6A  37  -9.924   9.639  23.092
  130   1H5*    A  38          1H5*        A  38  -9.132   1.591  16.299
  131   2H5*    A  38          2H5*        A  38  -8.438   2.326  14.842
  132    H4*    A  38           H4*        A  38  -9.785   3.912  16.316
  133    H3*    A  38           H3*        A  38  -6.858   4.490  15.756
  134   2HO*    A  38          2HO*        A  38  -9.520   7.123  17.348
  135    H1*    A  38           H1*        A  38  -8.793   5.590  18.833
  136    H8     A  38           H8         A  38  -5.716   3.455  17.979
  137   1H6     A  38          1H6         A  38  -2.464   7.426  21.426
  138   2H6     A  38          2H6         A  38  -2.429   5.897  20.577
  139    H2     A  38           H2         A  38  -6.586   9.077  20.908
  140   1H2*    A  38          1H2*        A  38  -7.325   6.660  16.766
  141    HN1  PSU  39           HN1      PSU  39  -2.602   5.222  15.523
  142    HN3  PSU  39           HN3      PSU  39  -0.579   7.754  18.052
  143    H6   PSU  39           H6       PSU  39  -4.375   6.864  15.267
  144    H1*  PSU  39           H1*      PSU  39  -4.675   9.928  17.301
  145    H2*  PSU  39           H2*      PSU  39  -3.264   9.915  14.831
  146   *HO2  PSU  39          *HO2      PSU  39  -3.781  11.725  16.220
  147    H3*  PSU  39           H3*      PSU  39  -4.987   8.861  13.579
  148    H4*  PSU  39           H4*      PSU  39  -7.047  10.175  15.362
  149   1H5*  PSU  39          1H5*      PSU  39  -8.302   8.149  14.966
  150   2H5*  PSU  39          2H5*      PSU  39  -7.714   8.699  13.379
  151   1H5*    C  40          1H5*        C  40  -3.607  13.267  13.895
  152   2H5*    C  40          2H5*        C  40  -3.006  13.464  12.239
  153    H4*    C  40           H4*        C  40  -1.281  13.881  14.083
  154    H3*    C  40           H3*        C  40  -0.839  11.811  11.909
  155   2HO*    C  40          2HO*        C  40   0.779  13.961  14.297
  156    H1*    C  40           H1*        C  40   0.602  11.971  15.429
  157   1H4     C  40          1H4         C  40   0.373   5.491  13.758
  158   2H4     C  40          2H4         C  40   1.864   5.712  14.645
  159    H5     C  40           H5         C  40  -1.080   7.369  13.112
  160    H6     C  40           H6         C  40  -1.389   9.726  13.242
  161   1H2*    C  40          1H2*        C  40   1.415  11.655  12.739
  162   1H5*    U  41          1H5*        U  41   2.617  14.575  11.735
  163   2H5*    U  41          2H5*        U  41   2.919  14.863  10.008
  164    H4*    U  41           H4*        U  41   4.942  14.024  11.225
  165    H3*    U  41           H3*        U  41   3.772  12.193   9.095
  166   2HO*    U  41          2HO*        U  41   6.718  12.999  11.038
  167    H1*    U  41           H1*        U  41   5.780  11.237  12.165
  168    H3     U  41           H3         U  41   5.089   6.754  11.382
  169    H5     U  41           H5         U  41   1.434   8.557  10.361
  170    H6     U  41           H6         U  41   2.448  10.677  10.636
  171   1H2*    U  41          1H2*        U  41   5.762  10.881   9.384
  172   1H5*    G  42          1H5*        G  42   8.063  12.986   8.120
  173   2H5*    G  42          2H5*        G  42   8.146  13.082   6.349
  174    H4*    G  42           H4*        G  42   9.730  11.392   7.327
  175    H3*    G  42           H3*        G  42   7.503  10.327   5.549
  176   2HO*    G  42          2HO*        G  42  10.779   8.236   6.723
  177    H1*    G  42           H1*        G  42   9.230   8.450   8.353
  178    H8     G  42           H8         G  42   5.728   9.608   7.195
  179    H1     G  42           H1         G  42   6.220   3.337   8.401
  180   1H2     G  42          1H2         G  42   9.626   3.972   8.747
  181   2H2     G  42          2H2         G  42   8.337   2.790   8.782
  182   1H2*    G  42          1H2*        G  42   8.735   8.236   5.641
  183   1H5*    A  43          1H5*        A  43  11.364   8.944   3.920
  184   2H5*    A  43          2H5*        A  43  11.207   8.996   2.153
  185    H4*    A  43           H4*        A  43  11.896   6.743   3.000
  186    H3*    A  43           H3*        A  43   9.163   6.908   1.665
  187   2HO*    A  43          2HO*        A  43  11.469   4.329   1.163
  188    H1*    A  43           H1*        A  43  10.221   4.405   4.315
  189    H8     A  43           H8         A  43   7.598   7.161   3.648
  190   1H6     A  43          1H6         A  43   3.373   2.871   5.074
  191   2H6     A  43          2H6         A  43   3.637   4.561   4.705
  192    H2     A  43           H2         A  43   7.382   0.896   4.937
  193    H3T    A  43           H3T        A  43  11.036   7.507   0.416
  194   1H2*    A  43          1H2*        A  43   9.230   4.495   1.733
  Start of MODEL    9
    1   1H5*    U  27          1H5*        U  27   0.702  -6.719   4.512
    2   2H5*    U  27          2H5*        U  27   1.009  -7.170   6.205
    3    H4*    U  27           H4*        U  27   2.993  -6.088   5.155
    4    H3*    U  27           H3*        U  27   1.647  -4.410   7.309
    5   2HO*    U  27          2HO*        U  27   5.395  -3.835   5.882
    6    H1*    U  27           H1*        U  27   3.803  -3.460   4.342
    7    H3     U  27           H3         U  27   3.332   1.087   4.914
    8    H5     U  27           H5         U  27  -0.416  -0.472   5.994
    9    H6     U  27           H6         U  27   0.485  -2.665   5.800
   10    H5*    U  27           H5*        U  27  -0.329  -4.831   5.305
   11   1H2*    U  27          1H2*        U  27   3.617  -3.046   7.138
   12   1H5*    C  28          1H5*        C  28   5.986  -5.695   8.198
   13   2H5*    C  28          2H5*        C  28   6.139  -5.804   9.963
   14    H4*    C  28           H4*        C  28   7.934  -4.403   8.831
   15    H3*    C  28           H3*        C  28   6.088  -3.080  10.848
   16   2HO*    C  28          2HO*        C  28   9.281  -2.875   9.166
   17    H1*    C  28           H1*        C  28   7.945  -1.538   7.909
   18   1H4     C  28          1H4         C  28   2.485   2.186   9.041
   19   2H4     C  28          2H4         C  28   3.766   3.310   8.646
   20    H5     C  28           H5         C  28   2.876  -0.225   9.332
   21    H6     C  28           H6         C  28   4.502  -1.960   9.237
   22   1H2*    C  28          1H2*        C  28   7.558  -1.174  10.675
   23   1H5*    A  29          1H5*        A  29  10.313  -2.450  12.151
   24   2H5*    A  29          2H5*        A  29  10.304  -2.437  13.925
   25    H4*    A  29           H4*        A  29  11.269  -0.346  12.867
   26    H3*    A  29           H3*        A  29   8.786  -0.087  14.596
   27   2HO*    A  29          2HO*        A  29  11.585   1.671  13.089
   28    H1*    A  29           H1*        A  29   9.757   2.211  11.734
   29    H8     A  29           H8         A  29   6.870  -0.095  12.856
   30   1H6     A  29          1H6         A  29   3.211   4.819  11.985
   31   2H6     A  29          2H6         A  29   3.253   3.105  12.330
   32    H2     A  29           H2         A  29   7.457   6.143  11.552
   33   1H2*    A  29          1H2*        A  29   9.148   2.301  14.431
   34   1H5*    G  30          1H5*        G  30  11.835   2.701  16.180
   35   2H5*    G  30          2H5*        G  30  11.635   2.731  17.942
   36    H4*    G  30           H4*        G  30  11.432   4.995  16.833
   37    H3*    G  30           H3*        G  30   9.025   3.895  18.319
   38   2HO*    G  30          2HO*        G  30  10.603   6.869  16.934
   39    H1*    G  30           H1*        G  30   8.904   6.330  15.416
   40    H8     G  30           H8         G  30   7.636   2.828  16.395
   41    H1     G  30           H1         G  30   3.020   7.010  14.912
   42   1H2     G  30          1H2         G  30   5.576   9.374  14.894
   43   2H2     G  30          2H2         G  30   3.867   9.052  14.704
   44   1H2*    G  30          1H2*        G  30   8.091   6.117  18.052
   45   1H5*    A  31          1H5*        A  31   9.982   7.872  19.993
   46   2H5*    A  31          2H5*        A  31   9.721   7.764  21.745
   47    H4*    A  31           H4*        A  31   8.421   9.622  20.635
   48    H3*    A  31           H3*        A  31   6.850   7.385  21.971
   49   2HO*    A  31          2HO*        A  31   5.319  10.959  20.787
   50    H1*    A  31           H1*        A  31   5.664   9.525  19.070
   51    H8     A  31           H8         A  31   6.341   5.832  19.862
   52   1H6     A  31          1H6         A  31   0.403   4.839  18.440
   53   2H6     A  31          2H6         A  31   1.935   4.085  18.821
   54    H2     A  31           H2         A  31   1.101   9.255  18.517
   55   1H2*    A  31          1H2*        A  31   4.932   8.842  21.646
   56   1H5*    C  32          1H5*        C  32   5.089  10.682  23.670
   57   2H5*    C  32          2H5*        C  32   5.031  10.464  25.428
   58    H4*    C  32           H4*        C  32   2.764  10.852  24.459
   59    H3*    C  32           H3*        C  32   3.215   8.068  25.619
   60   2HO*    C  32          2HO*        C  32   0.287   9.902  26.011
   61    H1*    C  32           H1*        C  32   0.861   9.053  22.806
   62   1H4     C  32          1H4         C  32   0.885   2.718  21.831
   63   2H4     C  32          2H4         C  32   2.634   2.707  21.874
   64    H5     C  32           H5         C  32   3.960   4.683  22.492
   65    H6     C  32           H6         C  32   3.870   6.969  23.116
   66   1H2*    C  32          1H2*        C  32   0.862   7.773  25.293
   67   1H5*    U  33          1H5*        U  33   0.758   8.387  28.440
   68   2H5*    U  33          2H5*        U  33   1.545   8.369  30.035
   69    H4*    U  33           H4*        U  33   0.030   6.423  29.755
   70    H3*    U  33           H3*        U  33   2.988   5.686  29.774
   71   2HO*    U  33          2HO*        U  33  -0.283   4.509  30.556
   72    H1*    U  33           H1*        U  33  -0.143   4.046  28.337
   73    H3     U  33           H3         U  33   1.777   0.643  25.918
   74    H5     U  33           H5         U  33   4.305   3.938  25.279
   75    H6     U  33           H6         U  33   3.099   5.140  26.925
   76   1H2*    U  33          1H2*        U  33   2.256   3.443  29.802
   77    HN3  U8U  34           HN3      U8U  34  -4.492  -0.424  33.414
   78    H6   U8U  34           H6       U8U  34  -1.017   2.780  32.617
   79   1HC   U8U  34          1HC       U8U  34  -4.424   4.142  32.580
   80   2HC   U8U  34          2HC       U8U  34  -2.733   4.581  32.825
   81   1HN   U8U  34          1HN       U8U  34  -3.827   3.380  30.380
   82   1HA   U8U  34          1HA       U8U  34  -3.398   5.444  29.280
   83   2HA   U8U  34          2HA       U8U  34  -4.631   5.610  30.546
   84   3HA   U8U  34          3HA       U8U  34  -2.963   6.145  30.854
   85    H1*  U8U  34           H1*      U8U  34   0.034  -0.398  34.237
   86    H2*  U8U  34           H2*      U8U  34  -0.049   0.028  31.333
   87   2HO*  U8U  34          2HO*      U8U  34   0.193  -1.993  32.488
   88    H3*  U8U  34           H3*      U8U  34   1.634   1.601  31.339
   89    H4*  U8U  34           H4*      U8U  34   2.542   0.622  34.061
   90   1H5*  U8U  34          1H5*      U8U  34   2.822   3.026  34.530
   91   2H5*  U8U  34          2H5*      U8U  34   3.797   2.531  33.125
   92   2HN   U8U  34          2HN       U8U  34  -2.273   3.857  30.609
   93   1H5*    U  35          1H5*        U  35   2.023  -3.014  30.608
   94   2H5*    U  35          2H5*        U  35   2.457  -2.831  28.898
   95    H4*    U  35           H4*        U  35   0.385  -4.181  29.215
   96    H3*    U  35           H3*        U  35   0.062  -1.513  27.796
   97   2HO*    U  35          2HO*        U  35  -1.155  -4.875  27.996
   98    H1*    U  35           H1*        U  35  -2.221  -3.894  29.654
   99    H3     U  35           H3         U  35  -6.072  -1.389  30.158
  100    H5     U  35           H5         U  35  -3.053   1.501  29.724
  101    H6     U  35           H6         U  35  -1.485  -0.270  29.358
  102   1H2*    U  35          1H2*        U  35  -2.115  -2.290  27.253
  103   1H5*    U  36          1H5*        U  36  -1.134  -4.531  24.889
  104   2H5*    U  36          2H5*        U  36  -0.579  -3.997  23.291
  105    H4*    U  36           H4*        U  36  -3.074  -4.416  23.436
  106    H3*    U  36           H3*        U  36  -2.139  -1.590  22.821
  107   2HO*    U  36          2HO*        U  36  -5.930  -2.974  22.342
  108    H1*    U  36           H1*        U  36  -5.357  -2.700  24.490
  109    H3     U  36           H3         U  36  -6.572   1.676  25.259
  110    H5     U  36           H5         U  36  -2.430   1.618  25.950
  111    H6     U  36           H6         U  36  -2.367  -0.617  25.156
  112   1H2*    U  36          1H2*        U  36  -4.481  -1.171  22.318
  113   1H5*  T6A  37          1H5*      T6A  37  -4.349  -2.374  18.055
  114   2H5*  T6A  37          2H5*      T6A  37  -4.855  -3.137  19.580
  115    H4*  T6A  37           H4*      T6A  37  -6.811  -2.026  18.784
  116    H3*  T6A  37           H3*      T6A  37  -4.930   0.267  18.170
  117    H2*  T6A  37           H2*      T6A  37  -6.721   1.786  18.609
  118   *HO2  T6A  37          *HO2      T6A  37  -8.919   0.988  18.672
  119    H1*  T6A  37           H1*      T6A  37  -7.972   0.230  20.596
  120    H8   T6A  37           H8       T6A  37  -4.216   0.888  20.829
  121    H2   T6A  37           H2       T6A  37  -9.612   4.292  22.103
  122    HN6  T6A  37           HN6      T6A  37  -4.348   5.154  23.034
  123    HN1  T6A  37           HN1      T6A  37  -7.623   6.604  23.414
  124    H12  T6A  37           H12      T6A  37  -6.436   9.199  23.794
  125    H14  T6A  37           H14      T6A  37  -8.740   9.659  24.988
  126    HO4  T6A  37           HO4      T6A  37  -9.093   7.463  25.433
  127   1H15  T6A  37          1H15      T6A  37  -8.354  10.319  22.630
  128   2H15  T6A  37          2H15      T6A  37  -8.610   8.634  22.110
  129   3H15  T6A  37          3H15      T6A  37  -9.953   9.571  22.799
  130   1H5*    A  38          1H5*        A  38  -8.649   1.440  15.921
  131   2H5*    A  38          2H5*        A  38  -7.917   2.223  14.510
  132    H4*    A  38           H4*        A  38  -9.438   3.702  15.957
  133    H3*    A  38           H3*        A  38  -6.556   4.476  15.411
  134   2HO*    A  38          2HO*        A  38  -9.827   5.644  16.498
  135    H1*    A  38           H1*        A  38  -8.570   5.473  18.472
  136    H8     A  38           H8         A  38  -5.333   3.569  17.617
  137   1H6     A  38          1H6         A  38  -2.401   7.755  21.093
  138   2H6     A  38          2H6         A  38  -2.249   6.237  20.236
  139    H2     A  38           H2         A  38  -6.637   9.087  20.582
  140   1H2*    A  38          1H2*        A  38  -7.145   6.611  16.406
  141    HN1  PSU  39           HN1      PSU  39  -2.372   5.421  15.248
  142    HN3  PSU  39           HN3      PSU  39  -0.528   8.047  17.818
  143    H6   PSU  39           H6       PSU  39  -4.215   6.978  14.951
  144    H1*  PSU  39           H1*      PSU  39  -4.701  10.028  16.972
  145    H2*  PSU  39           H2*      PSU  39  -3.249  10.064  14.529
  146   *HO2  PSU  39          *HO2      PSU  39  -3.879  11.859  15.888
  147    H3*  PSU  39           H3*      PSU  39  -4.897   8.918  13.251
  148    H4*  PSU  39           H4*      PSU  39  -7.049  10.144  14.988
  149   1H5*  PSU  39          1H5*      PSU  39  -8.194   8.051  14.601
  150   2H5*  PSU  39          2H5*      PSU  39  -7.621   8.622  13.016
  151   1H5*    C  40          1H5*        C  40  -3.670  13.327  13.520
  152   2H5*    C  40          2H5*        C  40  -3.036  13.527  11.876
  153    H4*    C  40           H4*        C  40  -1.361  13.976  13.764
  154    H3*    C  40           H3*        C  40  -0.829  11.903  11.613
  155   2HO*    C  40          2HO*        C  40   0.689  14.079  14.046
  156    H1*    C  40           H1*        C  40   0.505  12.092  15.175
  157   1H4     C  40          1H4         C  40   0.400   5.605  13.524
  158   2H4     C  40          2H4         C  40   1.858   5.845  14.459
  159    H5     C  40           H5         C  40  -1.050   7.463  12.821
  160    H6     C  40           H6         C  40  -1.390   9.817  12.932
  161   1H2*    C  40          1H2*        C  40   1.403  11.779  12.514
  162   1H5*    U  41          1H5*        U  41   2.597  14.715  11.542
  163   2H5*    U  41          2H5*        U  41   2.966  14.988   9.827
  164    H4*    U  41           H4*        U  41   4.950  14.175  11.140
  165    H3*    U  41           H3*        U  41   3.889  12.319   8.972
  166   2HO*    U  41          2HO*        U  41   7.489  11.966  10.810
  167    H1*    U  41           H1*        U  41   5.767  11.410  12.136
  168    H3     U  41           H3         U  41   5.188   6.919  11.329
  169    H5     U  41           H5         U  41   1.546   8.660  10.161
  170    H6     U  41           H6         U  41   2.517  10.797  10.460
  171   1H2*    U  41          1H2*        U  41   5.921  11.063   9.366
  172   1H5*    G  42          1H5*        G  42   8.147  13.008   8.136
  173   2H5*    G  42          2H5*        G  42   8.303  13.080   6.370
  174    H4*    G  42           H4*        G  42   9.760  11.330   7.415
  175    H3*    G  42           H3*        G  42   7.542  10.350   5.580
  176   2HO*    G  42          2HO*        G  42  10.692   9.514   7.181
  177    H1*    G  42           H1*        G  42   9.062   8.418   8.470
  178    H8     G  42           H8         G  42   5.676   9.776   7.193
  179    H1     G  42           H1         G  42   5.733   3.506   8.492
  180   1H2     G  42          1H2         G  42   9.161   3.928   8.929
  181   2H2     G  42          2H2         G  42   7.799   2.830   8.938
  182   1H2*    G  42          1H2*        G  42   8.611   8.195   5.745
  183   1H5*    A  43          1H5*        A  43  11.372   8.709   4.090
  184   2H5*    A  43          2H5*        A  43  11.256   8.729   2.319
  185    H4*    A  43           H4*        A  43  11.786   6.462   3.235
  186    H3*    A  43           H3*        A  43   9.110   6.775   1.817
  187   2HO*    A  43          2HO*        A  43  11.651   4.435   2.886
  188    H1*    A  43           H1*        A  43   9.947   4.261   4.549
  189    H8     A  43           H8         A  43   7.485   7.135   3.738
  190   1H6     A  43          1H6         A  43   3.027   3.169   5.381
  191   2H6     A  43          2H6         A  43   3.383   4.818   4.917
  192    H2     A  43           H2         A  43   6.921   0.974   5.380
  193    H3T    A  43           H3T        A  43  10.403   5.843   0.132
  194   1H2*    A  43          1H2*        A  43   8.955   4.389   1.957
  Start of MODEL   10
    1   1H5*    U  27          1H5*        U  27   1.433  -7.353   4.437
    2   2H5*    U  27          2H5*        U  27   1.555  -7.806   6.153
    3    H4*    U  27           H4*        U  27   3.475  -6.390   5.414
    4    H3*    U  27           H3*        U  27   1.584  -5.061   7.393
    5   2HO*    U  27          2HO*        U  27   4.970  -5.198   6.268
    6    H1*    U  27           H1*        U  27   4.047  -3.783   4.791
    7    H3     U  27           H3         U  27   2.976   0.708   4.786
    8    H5     U  27           H5         U  27  -0.638  -1.181   5.799
    9    H6     U  27           H6         U  27   0.525  -3.268   5.851
   10    H5*    U  27           H5*        U  27   0.011  -5.676   5.082
   11   1H2*    U  27          1H2*        U  27   3.192  -3.332   7.497
   12   1H5*    C  28          1H5*        C  28   6.002  -5.990   8.650
   13   2H5*    C  28          2H5*        C  28   6.038  -6.084  10.422
   14    H4*    C  28           H4*        C  28   7.866  -4.636   9.415
   15    H3*    C  28           H3*        C  28   5.838  -3.321  11.257
   16   2HO*    C  28          2HO*        C  28   9.368  -1.683  10.086
   17    H1*    C  28           H1*        C  28   7.856  -1.772   8.444
   18   1H4     C  28          1H4         C  28   2.254   1.806   9.253
   19   2H4     C  28          2H4         C  28   3.538   2.968   9.001
   20    H5     C  28           H5         C  28   2.674  -0.604   9.504
   21    H6     C  28           H6         C  28   4.340  -2.301   9.496
   22   1H2*    C  28          1H2*        C  28   7.346  -1.413  11.178
   23   1H5*    A  29          1H5*        A  29   9.947  -2.643  12.826
   24   2H5*    A  29          2H5*        A  29   9.839  -2.596  14.596
   25    H4*    A  29           H4*        A  29  10.858  -0.522  13.541
   26    H3*    A  29           H3*        A  29   8.303  -0.251  15.158
   27   2HO*    A  29          2HO*        A  29  11.157   1.501  13.759
   28    H1*    A  29           H1*        A  29   9.398   2.012  12.306
   29    H8     A  29           H8         A  29   6.458  -0.290  13.268
   30   1H6     A  29          1H6         A  29   2.844   4.618  12.203
   31   2H6     A  29          2H6         A  29   2.872   2.904  12.549
   32    H2     A  29           H2         A  29   7.107   5.949  11.998
   33   1H2*    A  29          1H2*        A  29   8.654   2.138  14.972
   34   1H5*    G  30          1H5*        G  30  11.381   2.515  16.812
   35   2H5*    G  30          2H5*        G  30  11.102   2.622  18.560
   36    H4*    G  30           H4*        G  30  11.018   4.848  17.340
   37    H3*    G  30           H3*        G  30   8.527   3.884  18.785
   38   2HO*    G  30          2HO*        G  30   9.141   7.658  17.401
   39    H1*    G  30           H1*        G  30   8.587   6.189  15.781
   40    H8     G  30           H8         G  30   7.161   2.791  16.918
   41    H1     G  30           H1         G  30   2.763   7.026  14.992
   42   1H2     G  30          1H2         G  30   5.406   9.291  14.917
   43   2H2     G  30          2H2         G  30   3.694   9.017  14.681
   44   1H2*    G  30          1H2*        G  30   7.699   6.146  18.395
   45   1H5*    A  31          1H5*        A  31   9.668   7.898  20.298
   46   2H5*    A  31          2H5*        A  31   9.397   7.888  22.051
   47    H4*    A  31           H4*        A  31   8.247   9.786  20.840
   48    H3*    A  31           H3*        A  31   6.524   7.752  22.304
   49   2HO*    A  31          2HO*        A  31   6.181  11.198  22.300
   50    H1*    A  31           H1*        A  31   5.462   9.812  19.303
   51    H8     A  31           H8         A  31   5.906   6.120  20.187
   52   1H6     A  31          1H6         A  31  -0.135   5.487  19.022
   53   2H6     A  31          2H6         A  31   1.359   4.644  19.366
   54    H2     A  31           H2         A  31   0.847   9.849  18.966
   55   1H2*    A  31          1H2*        A  31   4.719   9.342  21.924
   56   1H5*    C  32          1H5*        C  32   4.941  11.129  23.942
   57   2H5*    C  32          2H5*        C  32   4.928  10.951  25.706
   58    H4*    C  32           H4*        C  32   2.645  11.355  24.822
   59    H3*    C  32           H3*        C  32   3.048   8.526  25.899
   60   2HO*    C  32          2HO*        C  32  -0.533  10.203  25.056
   61    H1*    C  32           H1*        C  32   0.667   9.726  23.193
   62   1H4     C  32          1H4         C  32   0.230   3.459  21.921
   63   2H4     C  32          2H4         C  32   1.974   3.341  21.864
   64    H5     C  32           H5         C  32   3.452   5.201  22.497
   65    H6     C  32           H6         C  32   3.541   7.452  23.233
   66   1H2*    C  32          1H2*        C  32   0.688   8.312  25.619
   67   1H5*    U  33          1H5*        U  33   0.770   8.692  28.870
   68   2H5*    U  33          2H5*        U  33   1.667   8.518  30.397
   69    H4*    U  33           H4*        U  33   0.154   6.582  29.993
   70    H3*    U  33           H3*        U  33   3.123   5.922  29.782
   71   2HO*    U  33          2HO*        U  33  -0.092   4.570  30.515
   72    H1*    U  33           H1*        U  33   0.011   4.329  28.234
   73    H3     U  33           H3         U  33   2.124   1.469  25.327
   74    H5     U  33           H5         U  33   4.485   4.946  25.249
   75    H6     U  33           H6         U  33   3.192   5.815  27.039
   76   1H2*    U  33          1H2*        U  33   2.448   3.669  29.571
   77    HN3  U8U  34           HN3      U8U  34  -3.896  -1.115  32.616
   78    H6   U8U  34           H6       U8U  34  -0.655   2.393  32.214
   79   1HC   U8U  34          1HC       U8U  34  -4.145   3.510  32.336
   80   2HC   U8U  34          2HC       U8U  34  -2.482   4.043  32.582
   81   1HN   U8U  34          1HN       U8U  34  -3.580   3.030  30.055
   82   1HA   U8U  34          1HA       U8U  34  -2.850   5.778  30.783
   83   2HA   U8U  34          2HA       U8U  34  -3.322   5.215  29.165
   84   3HA   U8U  34          3HA       U8U  34  -4.501   5.182  30.489
   85    H1*  U8U  34           H1*      U8U  34   0.622  -0.871  33.444
   86    H2*  U8U  34           H2*      U8U  34   0.483  -0.144  30.605
   87   2HO*  U8U  34          2HO*      U8U  34   2.391  -1.693  30.830
   88    H3*  U8U  34           H3*      U8U  34   2.032   1.566  30.797
   89    H4*  U8U  34           H4*      U8U  34   3.054   0.309  33.359
   90   1H5*  U8U  34          1H5*      U8U  34   3.205   2.644  34.133
   91   2H5*  U8U  34          2H5*      U8U  34   4.193   2.384  32.676
   92   2HN   U8U  34          2HN       U8U  34  -2.049   3.574  30.287
   93   1H5*    U  35          1H5*        U  35   2.742  -2.949  29.521
   94   2H5*    U  35          2H5*        U  35   3.132  -2.536  27.840
   95    H4*    U  35           H4*        U  35   1.136  -4.078  28.107
   96    H3*    U  35           H3*        U  35   0.776  -1.370  26.781
   97   2HO*    U  35          2HO*        U  35  -0.420  -4.741  26.886
   98    H1*    U  35           H1*        U  35  -1.566  -3.803  28.540
   99    H3     U  35           H3         U  35  -5.357  -1.208  29.013
  100    H5     U  35           H5         U  35  -2.236   1.603  28.873
  101    H6     U  35           H6         U  35  -0.711  -0.190  28.451
  102   1H2*    U  35          1H2*        U  35  -1.407  -2.153  26.193
  103   1H5*    U  36          1H5*        U  36  -0.412  -4.399  23.791
  104   2H5*    U  36          2H5*        U  36   0.037  -3.765  22.196
  105    H4*    U  36           H4*        U  36  -2.436  -4.287  22.462
  106    H3*    U  36           H3*        U  36  -1.624  -1.412  21.909
  107   2HO*    U  36          2HO*        U  36  -5.392  -2.901  21.584
  108    H1*    U  36           H1*        U  36  -4.706  -2.697  23.706
  109    H3     U  36           H3         U  36  -6.035   1.596  24.719
  110    H5     U  36           H5         U  36  -1.859   1.683  25.154
  111    H6     U  36           H6         U  36  -1.760  -0.522  24.280
  112   1H2*    U  36          1H2*        U  36  -4.005  -1.051  21.555
  113   1H5*  T6A  37          1H5*      T6A  37  -4.093  -2.052  17.253
  114   2H5*  T6A  37          2H5*      T6A  37  -4.479  -2.909  18.764
  115    H4*  T6A  37           H4*      T6A  37  -6.513  -1.824  18.135
  116    H3*  T6A  37           H3*      T6A  37  -4.742   0.567  17.568
  117    H2*  T6A  37           H2*      T6A  37  -6.556   1.992  18.196
  118   *HO2  T6A  37          *HO2      T6A  37  -8.718   1.110  18.329
  119    H1*  T6A  37           H1*      T6A  37  -7.638   0.279  20.149
  120    H8   T6A  37           H8       T6A  37  -3.895   1.074  20.168
  121    H2   T6A  37           H2       T6A  37  -9.311   4.126  22.084
  122    HN6  T6A  37           HN6      T6A  37  -4.030   5.158  22.694
  123    HN1  T6A  37           HN1      T6A  37  -7.323   6.426  23.417
  124    H12  T6A  37           H12      T6A  37  -6.215   9.038  23.911
  125    H14  T6A  37           H14      T6A  37  -8.441   9.301  25.297
  126    HO4  T6A  37           HO4      T6A  37  -9.904   7.635  24.786
  127   1H15  T6A  37          1H15      T6A  37  -8.474   8.508  22.344
  128   2H15  T6A  37          2H15      T6A  37  -9.806   9.321  23.194
  129   3H15  T6A  37          3H15      T6A  37  -8.256  10.158  22.980
  130   1H5*    A  38          1H5*        A  38  -8.598   1.778  15.614
  131   2H5*    A  38          2H5*        A  38  -7.963   2.647  14.205
  132    H4*    A  38           H4*        A  38  -9.414   4.044  15.772
  133    H3*    A  38           H3*        A  38  -6.539   4.859  15.231
  134   2HO*    A  38          2HO*        A  38  -9.376   7.209  16.957
  135    H1*    A  38           H1*        A  38  -8.510   5.664  18.364
  136    H8     A  38           H8         A  38  -5.268   3.881  17.269
  137   1H6     A  38          1H6         A  38  -2.314   7.801  21.027
  138   2H6     A  38          2H6         A  38  -2.158   6.369  20.034
  139    H2     A  38           H2         A  38  -6.586   9.086  20.749
  140   1H2*    A  38          1H2*        A  38  -7.162   6.943  16.333
  141    HN1  PSU  39           HN1      PSU  39  -2.513   5.909  15.444
  142    HN3  PSU  39           HN3      PSU  39  -0.755   8.529  18.079
  143    H6   PSU  39           H6       PSU  39  -4.360   7.453  15.111
  144    H1*  PSU  39           H1*      PSU  39  -4.925  10.480  17.144
  145    H2*  PSU  39           H2*      PSU  39  -3.388  10.579  14.761
  146   *HO2  PSU  39          *HO2      PSU  39  -5.611  12.179  15.657
  147    H3*  PSU  39           H3*      PSU  39  -4.968   9.435  13.394
  148    H4*  PSU  39           H4*      PSU  39  -7.204  10.601  15.071
  149   1H5*  PSU  39          1H5*      PSU  39  -8.287   8.466  14.640
  150   2H5*  PSU  39          2H5*      PSU  39  -7.729   9.121  13.082
  151   1H5*    C  40          1H5*        C  40  -3.593  13.684  13.732
  152   2H5*    C  40          2H5*        C  40  -2.985  13.907  12.080
  153    H4*    C  40           H4*        C  40  -1.230  14.217  13.892
  154    H3*    C  40           H3*        C  40  -0.856  12.059  11.785
  155   2HO*    C  40          2HO*        C  40   2.051  13.465  14.246
  156    H1*    C  40           H1*        C  40   0.521  12.216  15.318
  157   1H4     C  40          1H4         C  40   0.006   5.764  13.644
  158   2H4     C  40          2H4         C  40   1.527   5.924  14.493
  159    H5     C  40           H5         C  40  -1.382   7.699  13.027
  160    H6     C  40           H6         C  40  -1.591  10.064  13.156
  161   1H2*    C  40          1H2*        C  40   1.399  11.901  12.668
  162   1H5*    U  41          1H5*        U  41   2.690  14.675  11.636
  163   2H5*    U  41          2H5*        U  41   3.086  14.875   9.916
  164    H4*    U  41           H4*        U  41   5.013  14.012  11.274
  165    H3*    U  41           H3*        U  41   3.877  12.150   9.151
  166   2HO*    U  41          2HO*        U  41   6.757  12.915  11.194
  167    H1*    U  41           H1*        U  41   5.692  11.256  12.367
  168    H3     U  41           H3         U  41   4.847   6.762  11.834
  169    H5     U  41           H5         U  41   1.347   8.637  10.459
  170    H6     U  41           H6         U  41   2.433  10.731  10.670
  171   1H2*    U  41          1H2*        U  41   5.779  10.757   9.604
  172   1H5*    G  42          1H5*        G  42   8.197  12.560   8.313
  173   2H5*    G  42          2H5*        G  42   8.349  12.556   6.544
  174    H4*    G  42           H4*        G  42   9.701  10.759   7.660
  175    H3*    G  42           H3*        G  42   7.433   9.863   5.846
  176   2HO*    G  42          2HO*        G  42  10.519   8.881   7.480
  177    H1*    G  42           H1*        G  42   8.828   7.939   8.809
  178    H8     G  42           H8         G  42   5.529   9.442   7.451
  179    H1     G  42           H1         G  42   5.182   3.271   9.128
  180   1H2     G  42          1H2         G  42   8.631   3.497   9.548
  181   2H2     G  42          2H2         G  42   7.201   2.492   9.624
  182   1H2*    G  42          1H2*        G  42   8.354   7.647   6.092
  183   1H5*    A  43          1H5*        A  43  11.206   7.970   4.448
  184   2H5*    A  43          2H5*        A  43  11.128   7.981   2.675
  185    H4*    A  43           H4*        A  43  11.556   5.699   3.614
  186    H3*    A  43           H3*        A  43   8.908   6.085   2.156
  187   2HO*    A  43          2HO*        A  43  10.576   2.508   3.085
  188    H1*    A  43           H1*        A  43   9.676   3.567   4.892
  189    H8     A  43           H8         A  43   7.247   6.468   4.144
  190   1H6     A  43          1H6         A  43   2.721   2.433   5.388
  191   2H6     A  43          2H6         A  43   3.100   4.106   5.044
  192    H2     A  43           H2         A  43   6.607   0.220   5.378
  193    H3T    A  43           H3T        A  43  10.209   5.149   0.476
  194   1H2*    A  43          1H2*        A  43   8.752   3.681   2.277
  Start of MODEL   11
    1   1H5*    U  27          1H5*        U  27   1.671  -7.788   4.687
    2   2H5*    U  27          2H5*        U  27   1.925  -8.230   6.390
    3    H4*    U  27           H4*        U  27   3.802  -6.859   5.498
    4    H3*    U  27           H3*        U  27   2.090  -5.429   7.570
    5   2HO*    U  27          2HO*        U  27   5.813  -4.316   6.421
    6    H1*    U  27           H1*        U  27   4.297  -4.139   4.775
    7    H3     U  27           H3         U  27   3.154   0.294   5.294
    8    H5     U  27           H5         U  27  -0.386  -1.780   6.195
    9    H6     U  27           H6         U  27   0.824  -3.825   6.046
   10    H5*    U  27           H5*        U  27   0.335  -6.080   5.431
   11   1H2*    U  27          1H2*        U  27   3.861  -3.804   7.557
   12   1H5*    C  28          1H5*        C  28   6.464  -5.953   8.851
   13   2H5*    C  28          2H5*        C  28   6.451  -6.040  10.624
   14    H4*    C  28           H4*        C  28   8.029  -4.289   9.690
   15    H3*    C  28           H3*        C  28   5.710  -3.350  11.415
   16   2HO*    C  28          2HO*        C  28   9.021  -2.560  10.281
   17    H1*    C  28           H1*        C  28   7.718  -1.592   8.700
   18   1H4     C  28          1H4         C  28   1.693   1.388   8.746
   19   2H4     C  28          2H4         C  28   2.853   2.638   8.357
   20    H5     C  28           H5         C  28   2.359  -0.902   9.349
   21    H6     C  28           H6         C  28   4.206  -2.387   9.625
   22   1H2*    C  28          1H2*        C  28   6.749  -1.200  11.346
   23   1H5*    A  29          1H5*        A  29   9.980  -2.433  13.006
   24   2H5*    A  29          2H5*        A  29   9.859  -2.331  14.773
   25    H4*    A  29           H4*        A  29  11.030  -0.358  13.683
   26    H3*    A  29           H3*        A  29   8.471   0.144  15.243
   27   2HO*    A  29          2HO*        A  29  11.084   3.006  14.010
   28    H1*    A  29           H1*        A  29   9.765   2.236  12.356
   29    H8     A  29           H8         A  29   6.673   0.192  13.451
   30   1H6     A  29          1H6         A  29   3.419   5.312  12.228
   31   2H6     A  29          2H6         A  29   3.324   3.615  12.643
   32    H2     A  29           H2         A  29   7.767   6.305  11.911
   33   1H2*    A  29          1H2*        A  29   9.056   2.498  15.009
   34   1H5*    G  30          1H5*        G  30  11.565   2.798  16.890
   35   2H5*    G  30          2H5*        G  30  11.291   2.889  18.640
   36    H4*    G  30           H4*        G  30  11.270   5.134  17.485
   37    H3*    G  30           H3*        G  30   8.708   4.212  18.835
   38   2HO*    G  30          2HO*        G  30   9.472   7.995  17.562
   39    H1*    G  30           H1*        G  30   8.927   6.579  15.884
   40    H8     G  30           H8         G  30   7.405   3.174  16.811
   41    H1     G  30           H1         G  30   3.128   7.598  15.034
   42   1H2     G  30          1H2         G  30   5.813   9.812  15.151
   43   2H2     G  30          2H2         G  30   4.105   9.582  14.851
   44   1H2*    G  30          1H2*        G  30   7.957   6.500  18.469
   45   1H5*    A  31          1H5*        A  31   9.730   8.142  20.485
   46   2H5*    A  31          2H5*        A  31   9.416   8.065  22.230
   47    H4*    A  31           H4*        A  31   8.221   9.956  21.069
   48    H3*    A  31           H3*        A  31   6.541   7.794  22.389
   49   2HO*    A  31          2HO*        A  31   6.576  11.191  21.127
   50    H1*    A  31           H1*        A  31   5.504   9.943  19.423
   51    H8     A  31           H8         A  31   6.073   6.230  20.145
   52   1H6     A  31          1H6         A  31   0.131   5.395  18.646
   53   2H6     A  31          2H6         A  31   1.643   4.602  19.024
   54    H2     A  31           H2         A  31   0.919   9.794  18.839
   55   1H2*    A  31          1H2*        A  31   4.664   9.249  21.971
   56   1H5*    C  32          1H5*        C  32   4.724  11.034  24.006
   57   2H5*    C  32          2H5*        C  32   4.646  10.835  25.765
   58    H4*    C  32           H4*        C  32   2.387  11.142  24.798
   59    H3*    C  32           H3*        C  32   2.889   8.322  25.862
   60   2HO*    C  32          2HO*        C  32   0.366  10.744  25.041
   61    H1*    C  32           H1*        C  32   0.548   9.485  23.088
   62   1H4     C  32          1H4         C  32   0.367   3.273  21.509
   63   2H4     C  32          2H4         C  32   2.116   3.215  21.507
   64    H5     C  32           H5         C  32   3.509   5.090  22.275
   65    H6     C  32           H6         C  32   3.495   7.306  23.114
   66   1H2*    C  32          1H2*        C  32   0.598   7.927  25.445
   67   1H5*    U  33          1H5*        U  33   0.468   8.259  28.670
   68   2H5*    U  33          2H5*        U  33   1.279   8.161  30.250
   69    H4*    U  33           H4*        U  33  -0.039   6.106  29.780
   70    H3*    U  33           H3*        U  33   2.979   5.681  29.717
   71   2HO*    U  33          2HO*        U  33   0.355   2.632  29.987
   72    H1*    U  33           H1*        U  33   0.038   3.866  28.088
   73    H3     U  33           H3         U  33   2.443   0.928  25.491
   74    H5     U  33           H5         U  33   4.453   4.595  25.074
   75    H6     U  33           H6         U  33   3.088   5.497  26.788
   76   1H2*    U  33          1H2*        U  33   2.495   3.393  29.496
   77    HN3  U8U  34           HN3      U8U  34  -3.800  -1.492  32.504
   78    H6   U8U  34           H6       U8U  34  -0.694   2.155  32.392
   79   1HC   U8U  34          1HC       U8U  34  -4.222   3.136  32.612
   80   2HC   U8U  34          2HC       U8U  34  -2.592   3.659  33.048
   81   1HN   U8U  34          1HN       U8U  34  -3.488   2.983  30.337
   82   1HA   U8U  34          1HA       U8U  34  -2.849   5.615  31.470
   83   2HA   U8U  34          2HA       U8U  34  -3.210   5.265  29.766
   84   3HA   U8U  34          3HA       U8U  34  -4.470   5.053  30.997
   85    H1*  U8U  34           H1*      U8U  34   0.696  -1.139  33.386
   86    H2*  U8U  34           H2*      U8U  34   0.539  -0.275  30.572
   87   2HO*  U8U  34          2HO*      U8U  34   2.243  -2.040  32.083
   88    H3*  U8U  34           H3*      U8U  34   2.175   1.315  30.775
   89    H4*  U8U  34           H4*      U8U  34   3.114   0.126  33.394
   90   1H5*  U8U  34          1H5*      U8U  34   3.175   2.476  34.119
   91   2H5*  U8U  34          2H5*      U8U  34   4.165   2.249  32.656
   92   2HN   U8U  34          2HN       U8U  34  -1.987   3.502  30.750
   93   1H5*    U  35          1H5*        U  35   2.709  -3.079  29.345
   94   2H5*    U  35          2H5*        U  35   3.180  -2.575  27.709
   95    H4*    U  35           H4*        U  35   1.107  -3.967  27.715
   96    H3*    U  35           H3*        U  35   0.798  -1.075  26.836
   97   2HO*    U  35          2HO*        U  35  -1.005  -3.408  24.945
   98    H1*    U  35           H1*        U  35  -1.466  -3.826  28.159
   99    H3     U  35           H3         U  35  -5.353  -1.616  29.371
  100    H5     U  35           H5         U  35  -2.467   1.437  29.252
  101    H6     U  35           H6         U  35  -0.857  -0.193  28.537
  102   1H2*    U  35          1H2*        U  35  -1.397  -1.652  26.239
  103   1H5*    U  36          1H5*        U  36   0.048  -4.093  23.344
  104   2H5*    U  36          2H5*        U  36   0.309  -3.191  21.840
  105    H4*    U  36           H4*        U  36  -1.984  -4.323  22.071
  106    H3*    U  36           H3*        U  36  -1.813  -1.314  21.681
  107   2HO*    U  36          2HO*        U  36  -3.796  -3.627  20.221
  108    H1*    U  36           H1*        U  36  -4.526  -3.342  23.404
  109    H3     U  36           H3         U  36  -6.755   0.411  24.848
  110    H5     U  36           H5         U  36  -2.694   1.434  25.191
  111    H6     U  36           H6         U  36  -2.135  -0.586  24.077
  112   1H2*    U  36          1H2*        U  36  -4.229  -1.450  21.354
  113   1H5*  T6A  37          1H5*      T6A  37  -4.166  -1.749  17.112
  114   2H5*  T6A  37          2H5*      T6A  37  -4.552  -2.686  18.574
  115    H4*  T6A  37           H4*      T6A  37  -6.583  -1.579  17.983
  116    H3*  T6A  37           H3*      T6A  37  -4.833   0.866  17.610
  117    H2*  T6A  37           H2*      T6A  37  -6.714   2.210  18.261
  118   *HO2  T6A  37          *HO2      T6A  37  -8.842   1.243  18.318
  119    H1*  T6A  37           H1*      T6A  37  -7.756   0.376  20.115
  120    H8   T6A  37           H8       T6A  37  -4.036   1.069  20.385
  121    H2   T6A  37           H2       T6A  37  -9.442   4.368  21.874
  122    HN6  T6A  37           HN6      T6A  37  -4.188   5.141  22.933
  123    HN1  T6A  37           HN1      T6A  37  -7.467   6.556  23.400
  124    H12  T6A  37           H12      T6A  37  -6.286   9.109  24.011
  125    H14  T6A  37           H14      T6A  37  -8.602   9.468  25.215
  126    HO4  T6A  37           HO4      T6A  37  -8.979   6.987  23.914
  127   1H15  T6A  37          1H15      T6A  37  -8.442   8.684  22.263
  128   2H15  T6A  37          2H15      T6A  37  -9.793   9.561  23.012
  129   3H15  T6A  37          3H15      T6A  37  -8.193  10.321  22.922
  130   1H5*    A  38          1H5*        A  38  -8.642   2.149  15.685
  131   2H5*    A  38          2H5*        A  38  -8.014   3.054  14.296
  132    H4*    A  38           H4*        A  38  -9.478   4.400  15.890
  133    H3*    A  38           H3*        A  38  -6.619   5.243  15.325
  134   2HO*    A  38          2HO*        A  38  -9.868   6.309  16.547
  135    H1*    A  38           H1*        A  38  -8.575   5.997  18.495
  136    H8     A  38           H8         A  38  -5.365   4.139  17.517
  137   1H6     A  38          1H6         A  38  -2.368   8.136  21.158
  138   2H6     A  38          2H6         A  38  -2.235   6.660  20.228
  139    H2     A  38           H2         A  38  -6.595   9.528  20.741
  140   1H2*    A  38          1H2*        A  38  -7.192   7.293  16.484
  141    HN1  PSU  39           HN1      PSU  39  -2.591   6.110  15.443
  142    HN3  PSU  39           HN3      PSU  39  -0.695   8.641  18.069
  143    H6   PSU  39           H6       PSU  39  -4.391   7.718  15.162
  144    H1*  PSU  39           H1*      PSU  39  -4.812  10.743  17.234
  145    H2*  PSU  39           H2*      PSU  39  -3.316  10.812  14.830
  146   *HO2  PSU  39          *HO2      PSU  39  -3.966  12.592  16.199
  147    H3*  PSU  39           H3*      PSU  39  -4.944   9.703  13.491
  148    H4*  PSU  39           H4*      PSU  39  -7.117  10.954  15.193
  149   1H5*  PSU  39          1H5*      PSU  39  -8.280   8.849  14.795
  150   2H5*  PSU  39          2H5*      PSU  39  -7.751   9.503  13.225
  151   1H5*    C  40          1H5*        C  40  -3.451  13.923  13.807
  152   2H5*    C  40          2H5*        C  40  -2.874  14.137  12.143
  153    H4*    C  40           H4*        C  40  -1.075  14.434  13.898
  154    H3*    C  40           H3*        C  40  -0.780  12.238  11.817
  155   2HO*    C  40          2HO*        C  40   2.207  13.642  14.180
  156    H1*    C  40           H1*        C  40   0.680  12.440  15.317
  157   1H4     C  40          1H4         C  40   0.029   5.963  13.800
  158   2H4     C  40          2H4         C  40   1.569   6.117  14.615
  159    H5     C  40           H5         C  40  -1.341   7.905  13.168
  160    H6     C  40           H6         C  40  -1.508  10.278  13.244
  161   1H2*    C  40          1H2*        C  40   1.488  12.058  12.651
  162   1H5*    U  41          1H5*        U  41   2.807  14.687  11.494
  163   2H5*    U  41          2H5*        U  41   3.134  14.880   9.759
  164    H4*    U  41           H4*        U  41   5.083  13.921  11.001
  165    H3*    U  41           H3*        U  41   3.748  12.068   8.985
  166   2HO*    U  41          2HO*        U  41   7.385  11.469  10.677
  167    H1*    U  41           H1*        U  41   5.678  11.128  12.101
  168    H3     U  41           H3         U  41   4.650   6.689  11.441
  169    H5     U  41           H5         U  41   1.131   8.735  10.401
  170    H6     U  41           H6         U  41   2.301  10.779  10.615
  171   1H2*    U  41          1H2*        U  41   5.675  10.653   9.348
  172   1H5*    G  42          1H5*        G  42   8.050  12.390   7.955
  173   2H5*    G  42          2H5*        G  42   8.126  12.345   6.182
  174    H4*    G  42           H4*        G  42   9.539  10.580   7.255
  175    H3*    G  42           H3*        G  42   7.155   9.579   5.647
  176   2HO*    G  42          2HO*        G  42  10.288   7.312   6.878
  177    H1*    G  42           H1*        G  42   8.874   7.846   8.550
  178    H8     G  42           H8         G  42   5.391   9.070   7.386
  179    H1     G  42           H1         G  42   5.574   2.983   9.371
  180   1H2     G  42          1H2         G  42   9.021   3.451   9.534
  181   2H2     G  42          2H2         G  42   7.670   2.364   9.761
  182   1H2*    G  42          1H2*        G  42   8.198   7.406   5.891
  183   1H5*    A  43          1H5*        A  43  10.898   7.795   4.020
  184   2H5*    A  43          2H5*        A  43  10.674   7.707   2.261
  185    H4*    A  43           H4*        A  43  11.294   5.502   3.273
  186    H3*    A  43           H3*        A  43   8.521   5.685   2.027
  187   2HO*    A  43          2HO*        A  43  10.422   2.244   3.020
  188    H1*    A  43           H1*        A  43   9.589   3.361   4.829
  189    H8     A  43           H8         A  43   7.029   6.144   4.032
  190   1H6     A  43          1H6         A  43   2.726   2.123   5.934
  191   2H6     A  43          2H6         A  43   3.029   3.768   5.421
  192    H2     A  43           H2         A  43   6.669   0.016   5.843
  193    H3T    A  43           H3T        A  43   9.724   4.704   0.300
  194   1H2*    A  43          1H2*        A  43   8.489   3.286   2.289
  Start of MODEL   12
    1   1H5*    U  27          1H5*        U  27   2.461  -7.073   3.129
    2   2H5*    U  27          2H5*        U  27   2.648  -7.632   4.807
    3    H4*    U  27           H4*        U  27   4.491  -6.095   4.109
    4    H3*    U  27           H3*        U  27   2.613  -4.981   6.227
    5   2HO*    U  27          2HO*        U  27   5.965  -4.900   4.991
    6    H1*    U  27           H1*        U  27   4.938  -3.429   3.650
    7    H3     U  27           H3         U  27   3.815   1.012   4.175
    8    H5     U  27           H5         U  27   0.191  -1.029   4.767
    9    H6     U  27           H6         U  27   1.385  -3.090   4.658
   10    H5*    U  27           H5*        U  27   0.996  -5.498   3.920
   11   1H2*    U  27          1H2*        U  27   4.159  -3.199   6.406
   12   1H5*    C  28          1H5*        C  28   7.077  -5.681   7.418
   13   2H5*    C  28          2H5*        C  28   7.116  -5.904   9.178
   14    H4*    C  28           H4*        C  28   8.786  -4.198   8.288
   15    H3*    C  28           H3*        C  28   6.647  -3.271  10.236
   16   2HO*    C  28          2HO*        C  28   9.973  -1.170   9.213
   17    H1*    C  28           H1*        C  28   8.465  -1.279   7.569
   18   1H4     C  28          1H4         C  28   2.529   1.614   8.682
   19   2H4     C  28          2H4         C  28   3.683   2.920   8.528
   20    H5     C  28           H5         C  28   3.200  -0.752   8.731
   21    H6     C  28           H6         C  28   5.034  -2.259   8.578
   22   1H2*    C  28          1H2*        C  28   7.944  -1.211  10.323
   23   1H5*    A  29          1H5*        A  29  10.732  -2.363  11.825
   24   2H5*    A  29          2H5*        A  29  10.644  -2.422  13.595
   25    H4*    A  29           H4*        A  29  11.488  -0.220  12.649
   26    H3*    A  29           H3*        A  29   8.924  -0.211  14.279
   27   2HO*    A  29          2HO*        A  29  11.070   3.081  13.233
   28    H1*    A  29           H1*        A  29   9.821   2.259  11.555
   29    H8     A  29           H8         A  29   7.091  -0.299  12.523
   30   1H6     A  29          1H6         A  29   3.095   4.368  11.806
   31   2H6     A  29          2H6         A  29   3.260   2.648  12.076
   32    H2     A  29           H2         A  29   7.239   6.014  11.486
   33   1H2*    A  29          1H2*        A  29   9.172   2.216  14.235
   34   1H5*    G  30          1H5*        G  30  11.846   2.630  16.044
   35   2H5*    G  30          2H5*        G  30  11.598   2.631  17.800
   36    H4*    G  30           H4*        G  30  11.395   4.912  16.702
   37    H3*    G  30           H3*        G  30   8.980   3.764  18.142
   38   2HO*    G  30          2HO*        G  30   9.411   7.634  16.967
   39    H1*    G  30           H1*        G  30   8.878   6.234  15.274
   40    H8     G  30           H8         G  30   7.628   2.713  16.184
   41    H1     G  30           H1         G  30   2.986   6.898  14.786
   42   1H2     G  30          1H2         G  30   5.529   9.276  14.818
   43   2H2     G  30          2H2         G  30   3.823   8.948  14.616
   44   1H2*    G  30          1H2*        G  30   8.054   6.010  17.901
   45   1H5*    A  31          1H5*        A  31   9.942   7.705  19.873
   46   2H5*    A  31          2H5*        A  31   9.672   7.599  21.623
   47    H4*    A  31           H4*        A  31   8.401   9.469  20.487
   48    H3*    A  31           H3*        A  31   6.830   7.270  21.875
   49   2HO*    A  31          2HO*        A  31   6.726  10.657  20.564
   50    H1*    A  31           H1*        A  31   5.625   9.371  18.944
   51    H8     A  31           H8         A  31   6.297   5.675  19.697
   52   1H6     A  31          1H6         A  31   0.336   4.708  18.363
   53   2H6     A  31          2H6         A  31   1.872   3.949  18.712
   54    H2     A  31           H2         A  31   1.044   9.123  18.478
   55   1H2*    A  31          1H2*        A  31   4.899   8.690  21.530
   56   1H5*    C  32          1H5*        C  32   5.171  10.727  23.563
   57   2H5*    C  32          2H5*        C  32   5.093  10.507  25.319
   58    H4*    C  32           H4*        C  32   2.856  11.002  24.314
   59    H3*    C  32           H3*        C  32   3.185   8.228  25.537
   60   2HO*    C  32          2HO*        C  32   0.812  10.743  24.565
   61    H1*    C  32           H1*        C  32   0.886   9.326  22.699
   62   1H4     C  32          1H4         C  32   0.518   3.030  21.510
   63   2H4     C  32          2H4         C  32   2.258   2.889  21.632
   64    H5     C  32           H5         C  32   3.693   4.745  22.369
   65    H6     C  32           H6         C  32   3.738   7.017  23.050
   66   1H2*    C  32          1H2*        C  32   0.858   7.950  25.158
   67   1H5*    U  33          1H5*        U  33   0.666   8.656  28.334
   68   2H5*    U  33          2H5*        U  33   1.453   8.644  29.928
   69    H4*    U  33           H4*        U  33  -0.107   6.730  29.680
   70    H3*    U  33           H3*        U  33   2.833   5.924  29.702
   71   2HO*    U  33          2HO*        U  33   0.595   4.077  31.488
   72    H1*    U  33           H1*        U  33  -0.369   4.365  28.332
   73    H3     U  33           H3         U  33   1.328   0.813  25.964
   74    H5     U  33           H5         U  33   3.997   3.965  25.180
   75    H6     U  33           H6         U  33   2.885   5.266  26.820
   76   1H2*    U  33          1H2*        U  33   2.069   3.710  29.737
   77    HN3  U8U  34           HN3      U8U  34  -4.563  -0.063  33.676
   78    H6   U8U  34           H6       U8U  34  -1.069   3.049  32.634
   79   1HC   U8U  34          1HC       U8U  34  -4.445   4.482  32.738
   80   2HC   U8U  34          2HC       U8U  34  -2.734   4.891  32.873
   81   1HN   U8U  34          1HN       U8U  34  -3.995   3.655  30.528
   82   1HA   U8U  34          1HA       U8U  34  -3.587   5.679  29.352
   83   2HA   U8U  34          2HA       U8U  34  -4.734   5.909  30.685
   84   3HA   U8U  34          3HA       U8U  34  -3.037   6.408  30.876
   85    H1*  U8U  34           H1*      U8U  34   0.003  -0.125  34.252
   86    H2*  U8U  34           H2*      U8U  34  -0.216   0.298  31.360
   87   2HO*  U8U  34          2HO*      U8U  34   1.504  -1.260  33.064
   88    H3*  U8U  34           H3*      U8U  34   1.458   1.879  31.281
   89    H4*  U8U  34           H4*      U8U  34   2.520   0.890  33.943
   90   1H5*  U8U  34          1H5*      U8U  34   2.823   3.291  34.407
   91   2H5*  U8U  34          2H5*      U8U  34   3.717   2.808  32.945
   92   2HN   U8U  34          2HN       U8U  34  -2.419   4.098  30.654
   93   1H5*    U  35          1H5*        U  35   1.824  -2.743  30.547
   94   2H5*    U  35          2H5*        U  35   2.168  -2.578  28.815
   95    H4*    U  35           H4*        U  35   0.115  -3.936  29.289
   96    H3*    U  35           H3*        U  35  -0.267  -1.328  27.784
   97   2HO*    U  35          2HO*        U  35  -1.562  -4.366  26.819
   98    H1*    U  35           H1*        U  35  -2.516  -3.559  29.836
   99    H3     U  35           H3         U  35  -6.300  -0.930  30.051
  100    H5     U  35           H5         U  35  -3.172   1.847  29.660
  101    H6     U  35           H6         U  35  -1.655   0.024  29.394
  102   1H2*    U  35          1H2*        U  35  -2.454  -2.222  27.300
  103   1H5*    U  36          1H5*        U  36  -1.319  -4.613  24.821
  104   2H5*    U  36          2H5*        U  36  -0.971  -3.928  23.224
  105    H4*    U  36           H4*        U  36  -3.390  -4.666  23.611
  106    H3*    U  36           H3*        U  36  -2.802  -1.767  22.917
  107   2HO*    U  36          2HO*        U  36  -5.130  -3.921  21.726
  108    H1*    U  36           H1*        U  36  -5.731  -3.168  24.872
  109    H3     U  36           H3         U  36  -7.312   1.074  25.723
  110    H5     U  36           H5         U  36  -3.141   1.448  26.038
  111    H6     U  36           H6         U  36  -2.922  -0.785  25.257
  112   1H2*    U  36          1H2*        U  36  -5.217  -1.593  22.615
  113   1H5*  T6A  37          1H5*      T6A  37  -5.291  -2.354  18.430
  114   2H5*  T6A  37          2H5*      T6A  37  -5.773  -3.054  19.993
  115    H4*  T6A  37           H4*      T6A  37  -7.639  -1.732  19.292
  116    H3*  T6A  37           H3*      T6A  37  -5.543   0.342  18.615
  117    H2*  T6A  37           H2*      T6A  37  -7.100   2.052  19.175
  118   *HO2  T6A  37          *HO2      T6A  37  -9.376   1.542  19.327
  119    H1*  T6A  37           H1*      T6A  37  -8.454   0.600  21.185
  120    H8   T6A  37           H8       T6A  37  -4.651   0.791  21.325
  121    H2   T6A  37           H2       T6A  37  -9.546   4.818  22.788
  122    HN6  T6A  37           HN6      T6A  37  -4.194   5.004  23.592
  123    HN1  T6A  37           HN1      T6A  37  -7.256   6.830  24.101
  124    H12  T6A  37           H12      T6A  37  -5.758   9.255  24.474
  125    H14  T6A  37           H14      T6A  37  -7.945   9.971  25.755
  126    HO4  T6A  37           HO4      T6A  37  -9.644   8.523  25.325
  127   1H15  T6A  37          1H15      T6A  37  -9.246  10.057  23.623
  128   2H15  T6A  37          2H15      T6A  37  -7.573  10.592  23.377
  129   3H15  T6A  37          3H15      T6A  37  -8.070   8.956  22.874
  130   1H5*    A  38          1H5*        A  38  -9.318   1.898  16.552
  131   2H5*    A  38          2H5*        A  38  -8.575   2.625  15.116
  132    H4*    A  38           H4*        A  38  -9.917   4.210  16.636
  133    H3*    A  38           H3*        A  38  -7.023   4.755  15.911
  134   2HO*    A  38          2HO*        A  38 -10.127   6.179  17.174
  135    H1*    A  38           H1*        A  38  -8.766   5.933  19.070
  136    H8     A  38           H8         A  38  -5.742   3.780  18.049
  137   1H6     A  38          1H6         A  38  -2.308   6.230  20.434
  138   2H6     A  38          2H6         A  38  -2.290   7.764  21.274
  139    H2     A  38           H2         A  38  -6.433   9.417  20.997
  140   1H2*    A  38          1H2*        A  38  -7.392   6.942  16.902
  141    HN1  PSU  39           HN1      PSU  39  -2.810   5.422  15.554
  142    HN3  PSU  39           HN3      PSU  39  -0.678   7.949  17.997
  143    H6   PSU  39           H6       PSU  39  -4.548   7.102  15.303
  144    H1*  PSU  39           H1*      PSU  39  -4.728  10.213  17.283
  145    H2*  PSU  39           H2*      PSU  39  -3.382  10.118  14.791
  146   *HO2  PSU  39          *HO2      PSU  39  -5.430  11.890  15.774
  147    H3*  PSU  39           H3*      PSU  39  -5.137   9.003  13.621
  148    H4*  PSU  39           H4*      PSU  39  -7.138  10.449  15.374
  149   1H5*  PSU  39          1H5*      PSU  39  -8.442   8.421  15.125
  150   2H5*  PSU  39          2H5*      PSU  39  -7.928   8.925  13.497
  151   1H5*    C  40          1H5*        C  40  -3.687  13.347  13.685
  152   2H5*    C  40          2H5*        C  40  -3.102  13.478  12.016
  153    H4*    C  40           H4*        C  40  -1.348  13.930  13.824
  154    H3*    C  40           H3*        C  40  -0.939  11.746  11.755
  155   2HO*    C  40          2HO*        C  40   1.965  13.310  14.129
  156    H1*    C  40           H1*        C  40   0.509  12.016  15.249
  157   1H4     C  40          1H4         C  40   0.243   5.527  13.662
  158   2H4     C  40          2H4         C  40   1.779   5.766  14.465
  159    H5     C  40           H5         C  40  -1.250   7.391  13.066
  160    H6     C  40           H6         C  40  -1.562   9.743  13.176
  161   1H2*    C  40          1H2*        C  40   1.347  11.697  12.588
  162   1H5*    U  41          1H5*        U  41   2.463  14.543  11.485
  163   2H5*    U  41          2H5*        U  41   2.836  14.738   9.760
  164    H4*    U  41           H4*        U  41   4.817  13.999  11.122
  165    H3*    U  41           H3*        U  41   3.781  12.039   9.036
  166   2HO*    U  41          2HO*        U  41   7.370  11.793  10.913
  167    H1*    U  41           H1*        U  41   5.641  11.282  12.246
  168    H3     U  41           H3         U  41   5.096   6.758  11.620
  169    H5     U  41           H5         U  41   1.449   8.426  10.366
  170    H6     U  41           H6         U  41   2.405  10.579  10.579
  171   1H2*    U  41          1H2*        U  41   5.822  10.817   9.497
  172   1H5*    G  42          1H5*        G  42   8.082  12.912   8.265
  173   2H5*    G  42          2H5*        G  42   8.283  12.925   6.502
  174    H4*    G  42           H4*        G  42   9.850  11.354   7.675
  175    H3*    G  42           H3*        G  42   7.797  10.111   5.805
  176   2HO*    G  42          2HO*        G  42  11.160   9.372   6.101
  177    H1*    G  42           H1*        G  42   9.362   8.413   8.794
  178    H8     G  42           H8         G  42   5.926   9.443   7.372
  179    H1     G  42           H1         G  42   6.532   3.201   8.669
  180   1H2     G  42          1H2         G  42   9.887   3.943   9.222
  181   2H2     G  42          2H2         G  42   8.635   2.722   9.184
  182   1H2*    G  42          1H2*        G  42   9.124   8.087   6.061
  183   1H5*    A  43          1H5*        A  43  11.691   8.696   4.243
  184   2H5*    A  43          2H5*        A  43  11.548   8.829   2.480
  185    H4*    A  43           H4*        A  43  12.178   6.531   3.234
  186    H3*    A  43           H3*        A  43   9.463   6.819   1.884
  187   2HO*    A  43          2HO*        A  43  11.409   3.317   2.520
  188    H1*    A  43           H1*        A  43  10.443   4.167   4.411
  189    H8     A  43           H8         A  43   7.917   7.023   4.099
  190   1H6     A  43          1H6         A  43   3.518   2.705   4.678
  191   2H6     A  43          2H6         A  43   3.846   4.422   4.620
  192    H2     A  43           H2         A  43   7.463   0.641   4.258
  193    H3T    A  43           H3T        A  43  11.358   7.447   0.681
  194   1H2*    A  43          1H2*        A  43   9.488   4.404   1.825
  Start of MODEL   13
    1   1H5*    U  27          1H5*        U  27   1.952  -7.722   4.583
    2   2H5*    U  27          2H5*        U  27   2.181  -8.163   6.290
    3    H4*    U  27           H4*        U  27   3.997  -6.676   5.451
    4    H3*    U  27           H3*        U  27   2.159  -5.379   7.501
    5   2HO*    U  27          2HO*        U  27   5.486  -5.412   6.185
    6    H1*    U  27           H1*        U  27   4.426  -4.043   4.761
    7    H3     U  27           H3         U  27   3.169   0.398   4.828
    8    H5     U  27           H5         U  27  -0.314  -1.647   5.985
    9    H6     U  27           H6         U  27   0.937  -3.681   5.983
   10    H5*    U  27           H5*        U  27   0.641  -6.619   6.843
   11   1H2*    U  27          1H2*        U  27   3.718  -3.602   7.507
   12   1H5*    C  28          1H5*        C  28   6.662  -6.002   8.648
   13   2H5*    C  28          2H5*        C  28   6.740  -5.991  10.421
   14    H4*    C  28           H4*        C  28   8.401  -4.434   9.298
   15    H3*    C  28           H3*        C  28   6.278  -3.219  11.099
   16   2HO*    C  28          2HO*        C  28   9.560  -2.760   9.721
   17    H1*    C  28           H1*        C  28   8.248  -1.777   8.173
   18   1H4     C  28          1H4         C  28   2.484   1.677   8.345
   19   2H4     C  28          2H4         C  28   3.711   2.799   7.802
   20    H5     C  28           H5         C  28   3.008  -0.613   9.076
   21    H6     C  28           H6         C  28   4.750  -2.221   9.354
   22   1H2*    C  28          1H2*        C  28   7.479  -1.162  10.843
   23   1H5*    A  29          1H5*        A  29  10.596  -2.373  12.477
   24   2H5*    A  29          2H5*        A  29  10.536  -2.208  14.242
   25    H4*    A  29           H4*        A  29  11.654  -0.278  13.036
   26    H3*    A  29           H3*        A  29   9.152   0.279  14.670
   27   2HO*    A  29          2HO*        A  29  12.129   1.957  14.495
   28    H1*    A  29           H1*        A  29  10.312   2.286  11.686
   29    H8     A  29           H8         A  29   7.292   0.239  12.939
   30   1H6     A  29          1H6         A  29   3.947   5.340  11.924
   31   2H6     A  29          2H6         A  29   3.887   3.640  12.331
   32    H2     A  29           H2         A  29   8.264   6.366  11.374
   33   1H2*    A  29          1H2*        A  29   9.754   2.626  14.363
   34   1H5*    G  30          1H5*        G  30  12.053   3.092  16.192
   35   2H5*    G  30          2H5*        G  30  11.862   3.123  17.955
   36    H4*    G  30           H4*        G  30  11.610   5.373  16.878
   37    H3*    G  30           H3*        G  30   9.169   4.224  18.272
   38   2HO*    G  30          2HO*        G  30  10.747   7.231  16.948
   39    H1*    G  30           H1*        G  30   9.101   6.672  15.381
   40    H8     G  30           H8         G  30   7.946   3.105  16.082
   41    H1     G  30           H1         G  30   3.155   7.223  15.037
   42   1H2     G  30          1H2         G  30   5.616   9.677  15.243
   43   2H2     G  30          2H2         G  30   3.922   9.306  15.015
   44   1H2*    G  30          1H2*        G  30   8.217   6.435  17.990
   45   1H5*    A  31          1H5*        A  31   9.958   8.172  20.011
   46   2H5*    A  31          2H5*        A  31   9.704   8.028  21.761
   47    H4*    A  31           H4*        A  31   8.351   9.862  20.680
   48    H3*    A  31           H3*        A  31   6.871   7.565  22.010
   49   2HO*    A  31          2HO*        A  31   6.630  10.979  20.804
   50    H1*    A  31           H1*        A  31   5.581   9.695  19.134
   51    H8     A  31           H8         A  31   6.425   6.014  19.728
   52   1H6     A  31          1H6         A  31   0.500   4.826  18.402
   53   2H6     A  31          2H6         A  31   2.075   4.124  18.699
   54    H2     A  31           H2         A  31   0.996   9.257  18.733
   55   1H2*    A  31          1H2*        A  31   4.885   8.907  21.699
   56   1H5*    C  32          1H5*        C  32   5.077  10.881  23.802
   57   2H5*    C  32          2H5*        C  32   5.013  10.605  25.552
   58    H4*    C  32           H4*        C  32   2.746  11.020  24.570
   59    H3*    C  32           H3*        C  32   3.207   8.217  25.682
   60   2HO*    C  32          2HO*        C  32   0.269  10.013  26.116
   61    H1*    C  32           H1*        C  32   0.857   9.287  22.893
   62   1H4     C  32          1H4         C  32   2.547   2.945  21.755
   63   2H4     C  32          2H4         C  32   0.800   2.991  21.671
   64    H5     C  32           H5         C  32   3.893   4.871  22.478
   65    H6     C  32           H6         C  32   3.830   7.136  23.181
   66   1H2*    C  32          1H2*        C  32   0.862   7.910  25.335
   67   1H5*    U  33          1H5*        U  33   0.718   8.441  28.455
   68   2H5*    U  33          2H5*        U  33   1.476   8.359  30.062
   69    H4*    U  33           H4*        U  33  -0.021   6.416  29.666
   70    H3*    U  33           H3*        U  33   2.943   5.708  29.725
   71   2HO*    U  33          2HO*        U  33   0.041   2.936  30.101
   72    H1*    U  33           H1*        U  33  -0.135   4.098  28.141
   73    H3     U  33           H3         U  33   1.837   0.901  25.486
   74    H5     U  33           H5         U  33   4.441   4.199  25.255
   75    H6     U  33           H6         U  33   3.171   5.276  26.943
   76   1H2*    U  33          1H2*        U  33   2.248   3.461  29.620
   77    HN3  U8U  34           HN3      U8U  34  -4.512  -0.705  32.806
   78    H6   U8U  34           H6       U8U  34  -1.094   2.625  32.363
   79   1HC   U8U  34          1HC       U8U  34  -4.530   3.909  32.290
   80   2HC   U8U  34          2HC       U8U  34  -2.866   4.363  32.665
   81   1HN   U8U  34          1HN       U8U  34  -3.797   3.346  30.074
   82   1HA   U8U  34          1HA       U8U  34  -4.655   5.542  30.378
   83   2HA   U8U  34          2HA       U8U  34  -3.015   6.077  30.815
   84   3HA   U8U  34          3HA       U8U  34  -3.356   5.499  29.170
   85    H1*  U8U  34           H1*      U8U  34  -0.020  -0.633  33.795
   86    H2*  U8U  34           H2*      U8U  34  -0.024  -0.035  30.918
   87   2HO*  U8U  34          2HO*      U8U  34   1.566  -1.694  32.653
   88    H3*  U8U  34           H3*      U8U  34   1.639   1.543  31.059
   89    H4*  U8U  34           H4*      U8U  34   2.476   0.444  33.759
   90   1H5*  U8U  34          1H5*      U8U  34   2.688   2.829  34.356
   91   2H5*  U8U  34          2H5*      U8U  34   3.717   2.423  32.960
   92   2HN   U8U  34          2HN       U8U  34  -2.268   3.828  30.427
   93   1H5*    U  35          1H5*        U  35   2.067  -3.000  30.037
   94   2H5*    U  35          2H5*        U  35   2.564  -2.684  28.364
   95    H4*    U  35           H4*        U  35   0.491  -4.042  28.469
   96    H3*    U  35           H3*        U  35   0.145  -1.244  27.337
   97   2HO*    U  35          2HO*        U  35  -2.377  -4.341  26.675
   98    H1*    U  35           H1*        U  35  -2.100  -3.864  28.874
   99    H3     U  35           H3         U  35  -6.057  -1.553  29.454
  100    H5     U  35           H5         U  35  -3.134   1.466  29.429
  101    H6     U  35           H6         U  35  -1.489  -0.206  28.954
  102   1H2*    U  35          1H2*        U  35  -1.987  -2.057  26.628
  103   1H5*    U  36          1H5*        U  36  -0.722  -4.215  24.160
  104   2H5*    U  36          2H5*        U  36  -0.307  -3.493  22.594
  105    H4*    U  36           H4*        U  36  -2.720  -4.282  22.793
  106    H3*    U  36           H3*        U  36  -2.188  -1.331  22.304
  107   2HO*    U  36          2HO*        U  36  -5.782  -3.184  21.869
  108    H1*    U  36           H1*        U  36  -5.166  -2.957  24.007
  109    H3     U  36           H3         U  36  -6.955   1.146  25.094
  110    H5     U  36           H5         U  36  -2.818   1.656  25.614
  111    H6     U  36           H6         U  36  -2.474  -0.500  24.684
  112   1H2*    U  36          1H2*        U  36  -4.588  -1.202  21.904
  113   1H5*  T6A  37          1H5*      T6A  37  -4.442  -1.964  17.606
  114   2H5*  T6A  37          2H5*      T6A  37  -4.856  -2.842  19.096
  115    H4*  T6A  37           H4*      T6A  37  -6.887  -1.779  18.417
  116    H3*  T6A  37           H3*      T6A  37  -5.141   0.651  17.944
  117    H2*  T6A  37           H2*      T6A  37  -7.026   2.025  18.507
  118   *HO2  T6A  37          *HO2      T6A  37  -9.159   1.068  18.569
  119    H1*  T6A  37           H1*      T6A  37  -8.111   0.279  20.422
  120    H8   T6A  37           H8       T6A  37  -4.393   1.040  20.694
  121    H2   T6A  37           H2       T6A  37  -9.868   4.288  22.035
  122    HN6  T6A  37           HN6      T6A  37  -4.636   5.184  23.104
  123    HN1  T6A  37           HN1      T6A  37  -7.938   6.570  23.488
  124    H12  T6A  37           H12      T6A  37  -6.793   9.157  24.038
  125    H14  T6A  37           H14      T6A  37  -9.133   9.520  25.196
  126    HO4  T6A  37           HO4      T6A  37  -9.471   7.296  25.496
  127   1H15  T6A  37          1H15      T6A  37  -8.892   8.680  22.266
  128   2H15  T6A  37          2H15      T6A  37 -10.281   9.541  22.965
  129   3H15  T6A  37          3H15      T6A  37  -8.695  10.333  22.902
  130   1H5*    A  38          1H5*        A  38  -8.877   1.881  15.910
  131   2H5*    A  38          2H5*        A  38  -8.213   2.739  14.507
  132    H4*    A  38           H4*        A  38  -9.671   4.159  16.045
  133    H3*    A  38           H3*        A  38  -6.777   4.937  15.548
  134   2HO*    A  38          2HO*        A  38  -9.519   7.076  15.617
  135    H1*    A  38           H1*        A  38  -8.800   5.769  18.649
  136    H8     A  38           H8         A  38  -5.590   3.871  17.722
  137   1H6     A  38          1H6         A  38  -2.613   7.859  21.390
  138   2H6     A  38          2H6         A  38  -2.478   6.379  20.467
  139    H2     A  38           H2         A  38  -6.826   9.276  20.915
  140   1H2*    A  38          1H2*        A  38  -7.383   7.023  16.651
  141    HN1  PSU  39           HN1      PSU  39  -2.668   5.611  15.571
  142    HN3  PSU  39           HN3      PSU  39  -0.761   8.024  18.298
  143    H6   PSU  39           H6       PSU  39  -4.402   7.289  15.271
  144    H1*  PSU  39           H1*      PSU  39  -4.770  10.290  17.388
  145    H2*  PSU  39           H2*      PSU  39  -3.253  10.320  14.984
  146   *HO2  PSU  39          *HO2      PSU  39  -3.823  12.109  16.378
  147    H3*  PSU  39           H3*      PSU  39  -4.923   9.300  13.635
  148    H4*  PSU  39           H4*      PSU  39  -7.051  10.601  15.349
  149   1H5*  PSU  39          1H5*      PSU  39  -8.299   8.577  14.881
  150   2H5*  PSU  39          2H5*      PSU  39  -7.676   9.183  13.327
  151   1H5*    C  40          1H5*        C  40  -3.436  13.620  14.063
  152   2H5*    C  40          2H5*        C  40  -2.805  13.837  12.419
  153    H4*    C  40           H4*        C  40  -1.087  14.171  14.262
  154    H3*    C  40           H3*        C  40  -0.686  12.060  12.115
  155   2HO*    C  40          2HO*        C  40   0.973  14.177  14.500
  156    H1*    C  40           H1*        C  40   0.690  12.222  15.663
  157   1H4     C  40          1H4         C  40   0.221   5.721  14.122
  158   2H4     C  40          2H4         C  40   1.692   5.896  15.052
  159    H5     C  40           H5         C  40  -1.128   7.645  13.393
  160    H6     C  40           H6         C  40  -1.336  10.017  13.465
  161   1H2*    C  40          1H2*        C  40   1.536  11.818  12.994
  162   1H5*    U  41          1H5*        U  41   2.910  14.576  11.940
  163   2H5*    U  41          2H5*        U  41   3.216  14.856  10.213
  164    H4*    U  41           H4*        U  41   5.194  13.879  11.384
  165    H3*    U  41           H3*        U  41   3.869  12.095   9.302
  166   2HO*    U  41          2HO*        U  41   7.544  11.500  10.909
  167    H1*    U  41           H1*        U  41   5.860  11.036  12.334
  168    H3     U  41           H3         U  41   4.910   6.626  11.411
  169    H5     U  41           H5         U  41   1.327   8.660  10.584
  170    H6     U  41           H6         U  41   2.463  10.711  10.898
  171   1H2*    U  41          1H2*        U  41   5.835  10.713   9.562
  172   1H5*    G  42          1H5*        G  42   8.118  12.547   8.208
  173   2H5*    G  42          2H5*        G  42   8.165  12.639   6.436
  174    H4*    G  42           H4*        G  42   9.623  10.826   7.353
  175    H3*    G  42           H3*        G  42   7.247   9.942   5.673
  176   2HO*    G  42          2HO*        G  42  10.474   8.984   7.034
  177    H1*    G  42           H1*        G  42   8.908   7.931   8.429
  178    H8     G  42           H8         G  42   5.486   9.414   7.412
  179    H1     G  42           H1         G  42   5.417   3.142   8.709
  180   1H2     G  42          1H2         G  42   8.882   3.442   8.881
  181   2H2     G  42          2H2         G  42   7.487   2.393   8.998
  182   1H2*    G  42          1H2*        G  42   8.250   7.752   5.742
  183   1H5*    A  43          1H5*        A  43  10.917   8.207   3.901
  184   2H5*    A  43          2H5*        A  43  10.698   8.294   2.142
  185    H4*    A  43           H4*        A  43  11.225   5.982   2.949
  186    H3*    A  43           H3*        A  43   8.477   6.400   1.705
  187   2HO*    A  43          2HO*        A  43  11.059   3.988   2.438
  188    H1*    A  43           H1*        A  43   9.564   3.770   4.246
  189    H8     A  43           H8         A  43   6.911   6.554   3.955
  190   1H6     A  43          1H6         A  43   2.790   2.208   5.519
  191   2H6     A  43          2H6         A  43   3.036   3.914   5.222
  192    H2     A  43           H2         A  43   6.757   0.230   4.927
  193    H3T    A  43           H3T        A  43   9.651   5.533  -0.098
  194   1H2*    A  43          1H2*        A  43   8.287   4.020   1.764
  Start of MODEL   14
    1   1H5*    U  27          1H5*        U  27   2.100  -7.851   4.541
    2   2H5*    U  27          2H5*        U  27   2.275  -8.231   6.269
    3    H4*    U  27           H4*        U  27   4.115  -6.762   5.438
    4    H3*    U  27           H3*        U  27   2.204  -5.440   7.403
    5   2HO*    U  27          2HO*        U  27   5.571  -5.472   6.215
    6    H1*    U  27           H1*        U  27   4.556  -4.156   4.703
    7    H3     U  27           H3         U  27   3.284   0.282   4.572
    8    H5     U  27           H5         U  27  -0.220  -1.731   5.722
    9    H6     U  27           H6         U  27   1.035  -3.762   5.816
   10    H5*    U  27           H5*        U  27   0.142  -7.612   5.703
   11   1H2*    U  27          1H2*        U  27   3.734  -3.640   7.407
   12   1H5*    C  28          1H5*        C  28   6.691  -6.146   8.582
   13   2H5*    C  28          2H5*        C  28   6.768  -6.168  10.355
   14    H4*    C  28           H4*        C  28   8.531  -4.713   9.260
   15    H3*    C  28           H3*        C  28   6.495  -3.369  11.074
   16   2HO*    C  28          2HO*        C  28   9.961  -1.694   9.772
   17    H1*    C  28           H1*        C  28   8.425  -1.894   8.161
   18   1H4     C  28          1H4         C  28   2.728   1.547   8.889
   19   2H4     C  28          2H4         C  28   3.972   2.734   8.566
   20    H5     C  28           H5         C  28   3.226  -0.835   9.246
   21    H6     C  28           H6         C  28   4.943  -2.479   9.292
   22   1H2*    C  28          1H2*        C  28   7.950  -1.428  10.883
   23   1H5*    A  29          1H5*        A  29  10.571  -2.470  12.559
   24   2H5*    A  29          2H5*        A  29  10.483  -2.384  14.328
   25    H4*    A  29           H4*        A  29  11.406  -0.300  13.222
   26    H3*    A  29           H3*        A  29   8.840  -0.074  14.830
   27   2HO*    A  29          2HO*        A  29  11.632   1.735  13.350
   28    H1*    A  29           H1*        A  29   9.840   2.148  11.925
   29    H8     A  29           H8         A  29   7.007  -0.258  12.921
   30   1H6     A  29          1H6         A  29   3.188   4.513  11.954
   31   2H6     A  29          2H6         A  29   3.288   2.797  12.280
   32    H2     A  29           H2         A  29   7.392   6.014  11.711
   33   1H2*    A  29          1H2*        A  29   9.135   2.323  14.594
   34   1H5*    G  30          1H5*        G  30  11.779   2.835  16.418
   35   2H5*    G  30          2H5*        G  30  11.536   2.918  18.172
   36    H4*    G  30           H4*        G  30  11.346   5.148  16.985
   37    H3*    G  30           H3*        G  30   8.908   4.080  18.449
   38   2HO*    G  30          2HO*        G  30   9.385   7.893  17.124
   39    H1*    G  30           H1*        G  30   8.853   6.428  15.483
   40    H8     G  30           H8         G  30   7.579   2.949  16.495
   41    H1     G  30           H1         G  30   2.958   7.116  14.982
   42   1H2     G  30          1H2         G  30   5.512   9.483  14.957
   43   2H2     G  30          2H2         G  30   3.804   9.157  14.761
   44   1H2*    G  30          1H2*        G  30   8.006   6.320  18.109
   45   1H5*    A  31          1H5*        A  31   9.814   8.079  20.033
   46   2H5*    A  31          2H5*        A  31   9.575   8.006  21.790
   47    H4*    A  31           H4*        A  31   8.258   9.840  20.667
   48    H3*    A  31           H3*        A  31   6.701   7.621  22.048
   49   2HO*    A  31          2HO*        A  31   5.155  11.172  20.822
   50    H1*    A  31           H1*        A  31   5.488   9.713  19.123
   51    H8     A  31           H8         A  31   6.213   6.033  19.875
   52   1H6     A  31          1H6         A  31   0.244   4.987  18.627
   53   2H6     A  31          2H6         A  31   1.796   4.247  18.948
   54    H2     A  31           H2         A  31   0.891   9.409  18.757
   55   1H2*    A  31          1H2*        A  31   4.778   9.068  21.714
   56   1H5*    C  32          1H5*        C  32   4.946  10.940  23.714
   57   2H5*    C  32          2H5*        C  32   4.908  10.744  25.476
   58    H4*    C  32           H4*        C  32   2.628  11.111  24.547
   59    H3*    C  32           H3*        C  32   3.090   8.310  25.667
   60   2HO*    C  32          2HO*        C  32  -0.525   9.871  24.752
   61    H1*    C  32           H1*        C  32   0.706   9.389  22.913
   62   1H4     C  32          1H4         C  32   0.521   3.089  21.745
   63   2H4     C  32          2H4         C  32   2.270   3.033  21.725
   64    H5     C  32           H5         C  32   3.668   4.955  22.354
   65    H6     C  32           H6         C  32   3.661   7.220  23.050
   66   1H2*    C  32          1H2*        C  32   0.740   8.023  25.362
   67   1H5*    U  33          1H5*        U  33   0.715   8.465  28.507
   68   2H5*    U  33          2H5*        U  33   1.532   8.378  30.084
   69    H4*    U  33           H4*        U  33   0.088   6.392  29.702
   70    H3*    U  33           H3*        U  33   3.075   5.785  29.641
   71   2HO*    U  33          2HO*        U  33   0.917   3.672  31.252
   72    H1*    U  33           H1*        U  33   0.040   4.070  28.076
   73    H3     U  33           H3         U  33   2.283   1.015  25.468
   74    H5     U  33           H5         U  33   4.541   4.542  25.124
   75    H6     U  33           H6         U  33   3.206   5.521  26.818
   76   1H2*    U  33          1H2*        U  33   2.452   3.519  29.518
   77    HN3  U8U  34           HN3      U8U  34  -4.116  -0.874  32.848
   78    H6   U8U  34           H6       U8U  34  -0.782   2.538  32.387
   79   1HC   U8U  34          1HC       U8U  34  -4.241   3.758  32.508
   80   2HC   U8U  34          2HC       U8U  34  -2.577   4.218  32.880
   81   1HN   U8U  34          1HN       U8U  34  -3.534   3.326  30.254
   82   1HA   U8U  34          1HA       U8U  34  -3.138   5.529  29.459
   83   2HA   U8U  34          2HA       U8U  34  -4.419   5.489  30.687
   84   3HA   U8U  34          3HA       U8U  34  -2.780   6.026  31.127
   85    H1*  U8U  34           H1*      U8U  34   0.418  -0.758  33.618
   86    H2*  U8U  34           H2*      U8U  34   0.254  -0.051  30.771
   87   2HO*  U8U  34          2HO*      U8U  34   1.953  -1.752  32.355
   88    H3*  U8U  34           H3*      U8U  34   1.905   1.539  30.881
   89    H4*  U8U  34           H4*      U8U  34   2.897   0.373  33.496
   90   1H5*  U8U  34          1H5*      U8U  34   3.094   2.740  34.159
   91   2H5*  U8U  34          2H5*      U8U  34   4.051   2.406  32.696
   92   2HN   U8U  34          2HN       U8U  34  -2.007   3.813  30.610
   93   1H5*    U  35          1H5*        U  35   2.336  -2.954  29.674
   94   2H5*    U  35          2H5*        U  35   2.753  -2.573  27.992
   95    H4*    U  35           H4*        U  35   0.684  -3.959  28.176
   96    H3*    U  35           H3*        U  35   0.329  -1.152  27.076
   97   2HO*    U  35          2HO*        U  35  -1.120  -3.911  25.521
   98    H1*    U  35           H1*        U  35  -1.915  -3.732  28.688
   99    H3     U  35           H3         U  35  -5.790  -1.309  29.359
  100    H5     U  35           H5         U  35  -2.778   1.620  29.302
  101    H6     U  35           H6         U  35  -1.194  -0.093  28.785
  102   1H2*    U  35          1H2*        U  35  -1.846  -1.933  26.442
  103   1H5*    U  36          1H5*        U  36  -0.460  -4.156  23.623
  104   2H5*    U  36          2H5*        U  36  -0.146  -3.236  22.142
  105    H4*    U  36           H4*        U  36  -2.509  -4.226  22.366
  106    H3*    U  36           H3*        U  36  -2.098  -1.241  22.015
  107   2HO*    U  36          2HO*        U  36  -4.435  -3.970  21.663
  108    H1*    U  36           H1*        U  36  -4.968  -3.101  23.694
  109    H3     U  36           H3         U  36  -6.950   0.742  25.284
  110    H5     U  36           H5         U  36  -2.834   1.541  25.543
  111    H6     U  36           H6         U  36  -2.408  -0.511  24.420
  112   1H2*    U  36          1H2*        U  36  -4.501  -1.118  21.748
  113   1H5*  T6A  37          1H5*      T6A  37  -4.473  -1.679  17.342
  114   2H5*  T6A  37          2H5*      T6A  37  -4.850  -2.641  18.789
  115    H4*  T6A  37           H4*      T6A  37  -6.908  -1.581  18.219
  116    H3*  T6A  37           H3*      T6A  37  -5.212   0.894  17.793
  117    H2*  T6A  37           H2*      T6A  37  -7.114   2.212  18.438
  118   *HO2  T6A  37          *HO2      T6A  37  -9.224   1.207  18.519
  119    H1*  T6A  37           H1*      T6A  37  -8.113   0.388  20.324
  120    H8   T6A  37           H8       T6A  37  -4.407   1.168  20.570
  121    H2   T6A  37           H2       T6A  37  -9.876   4.379  22.016
  122    HN6  T6A  37           HN6      T6A  37  -4.638   5.259  23.069
  123    HN1  T6A  37           HN1      T6A  37  -7.939   6.634  23.501
  124    H12  T6A  37           H12      T6A  37  -6.792   9.210  24.100
  125    H14  T6A  37           H14      T6A  37  -9.126   9.547  25.278
  126    HO4  T6A  37           HO4      T6A  37  -9.462   7.315  25.530
  127   1H15  T6A  37          1H15      T6A  37  -8.897   8.772  22.328
  128   2H15  T6A  37          2H15      T6A  37 -10.284   9.615  23.051
  129   3H15  T6A  37          3H15      T6A  37  -8.699  10.410  23.000
  130   1H5*    A  38          1H5*        A  38  -8.987   2.155  15.903
  131   2H5*    A  38          2H5*        A  38  -8.369   3.048  14.500
  132    H4*    A  38           H4*        A  38  -9.786   4.430  16.100
  133    H3*    A  38           H3*        A  38  -6.902   5.227  15.565
  134   2HO*    A  38          2HO*        A  38  -9.639   7.371  15.739
  135    H1*    A  38           H1*        A  38  -8.868   5.981  18.722
  136    H8     A  38           H8         A  38  -5.685   4.090  17.711
  137   1H6     A  38          1H6         A  38  -2.627   8.004  21.392
  138   2H6     A  38          2H6         A  38  -2.515   6.538  20.444
  139    H2     A  38           H2         A  38  -6.838   9.453  21.005
  140   1H2*    A  38          1H2*        A  38  -7.490   7.285  16.726
  141    HN1  PSU  39           HN1      PSU  39  -2.824   5.866  15.597
  142    HN3  PSU  39           HN3      PSU  39  -0.861   8.245  18.315
  143    H6   PSU  39           H6       PSU  39  -4.552   7.557  15.337
  144    H1*  PSU  39           H1*      PSU  39  -4.872  10.541  17.485
  145    H2*  PSU  39           H2*      PSU  39  -3.366  10.617  15.086
  146   *HO2  PSU  39          *HO2      PSU  39  -4.695  12.700  14.949
  147    H3*  PSU  39           H3*      PSU  39  -5.029   9.569  13.731
  148    H4*  PSU  39           H4*      PSU  39  -7.154  10.890  15.440
  149   1H5*  PSU  39          1H5*      PSU  39  -8.419   8.867  14.985
  150   2H5*  PSU  39          2H5*      PSU  39  -7.823   9.497  13.430
  151   1H5*    C  40          1H5*        C  40  -3.406  13.790  14.133
  152   2H5*    C  40          2H5*        C  40  -2.830  14.011  12.469
  153    H4*    C  40           H4*        C  40  -1.039  14.277  14.227
  154    H3*    C  40           H3*        C  40  -0.767  12.104  12.120
  155   2HO*    C  40          2HO*        C  40   1.012  14.207  14.452
  156    H1*    C  40           H1*        C  40   0.711  12.256  15.616
  157   1H4     C  40          1H4         C  40  -0.035   5.790  14.051
  158   2H4     C  40          2H4         C  40   1.500   5.914  14.880
  159    H5     C  40           H5         C  40  -1.371   7.759  13.428
  160    H6     C  40           H6         C  40  -1.508  10.133  13.533
  161   1H2*    C  40          1H2*        C  40   1.477  11.834  12.937
  162   1H5*    U  41          1H5*        U  41   2.867  14.609  11.834
  163   2H5*    U  41          2H5*        U  41   3.172  14.819  10.097
  164    H4*    U  41           H4*        U  41   5.152  13.891  11.321
  165    H3*    U  41           H3*        U  41   3.842  12.050   9.280
  166   2HO*    U  41          2HO*        U  41   7.505  11.494  10.932
  167    H1*    U  41           H1*        U  41   5.820  11.103  12.367
  168    H3     U  41           H3         U  41   4.878   6.647  11.712
  169    H5     U  41           H5         U  41   1.310   8.622  10.700
  170    H6     U  41           H6         U  41   2.444  10.689  10.893
  171   1H2*    U  41          1H2*        U  41   5.798  10.666   9.605
  172   1H5*    G  42          1H5*        G  42   8.131  12.509   8.229
  173   2H5*    G  42          2H5*        G  42   8.197  12.542   6.455
  174    H4*    G  42           H4*        G  42   9.670  10.783   7.459
  175    H3*    G  42           H3*        G  42   7.340   9.818   5.761
  176   2HO*    G  42          2HO*        G  42  10.552   8.944   7.212
  177    H1*    G  42           H1*        G  42   8.975   7.908   8.602
  178    H8     G  42           H8         G  42   5.552   9.309   7.477
  179    H1     G  42           H1         G  42   5.550   3.076   8.946
  180   1H2     G  42          1H2         G  42   9.006   3.433   9.176
  181   2H2     G  42          2H2         G  42   7.624   2.366   9.293
  182   1H2*    G  42          1H2*        G  42   8.374   7.644   5.910
  183   1H5*    A  43          1H5*        A  43  11.068   8.093   4.109
  184   2H5*    A  43          2H5*        A  43  10.900   8.152   2.344
  185    H4*    A  43           H4*        A  43  11.443   5.861   3.206
  186    H3*    A  43           H3*        A  43   8.737   6.220   1.855
  187   2HO*    A  43          2HO*        A  43  11.323   3.856   2.734
  188    H1*    A  43           H1*        A  43   9.743   3.637   4.473
  189    H8     A  43           H8         A  43   7.109   6.415   4.090
  190   1H6     A  43          1H6         A  43   2.908   2.052   5.369
  191   2H6     A  43          2H6         A  43   3.172   3.764   5.118
  192    H2     A  43           H2         A  43   6.893   0.073   4.922
  193    H3T    A  43           H3T        A  43  10.655   6.684   0.618
  194   1H2*    A  43          1H2*        A  43   8.584   3.835   1.934
  Start of MODEL   15
    1   1H5*    U  27          1H5*        U  27   1.974  -6.766   2.843
    2   2H5*    U  27          2H5*        U  27   2.184  -7.372   4.502
    3    H4*    U  27           H4*        U  27   4.153  -6.054   3.734
    4    H3*    U  27           H3*        U  27   2.524  -4.709   5.926
    5   2HO*    U  27          2HO*        U  27   6.312  -3.727   4.867
    6    H1*    U  27           H1*        U  27   4.807  -3.280   3.264
    7    H3     U  27           H3         U  27   3.899   1.115   4.298
    8    H5     U  27           H5         U  27   0.228  -0.848   4.863
    9    H6     U  27           H6         U  27   1.331  -2.925   4.509
   10    H5*    U  27           H5*        U  27   0.123  -6.434   4.148
   11   1H2*    U  27          1H2*        U  27   4.399  -3.205   6.062
   12   1H5*    C  28          1H5*        C  28   6.825  -5.606   7.157
   13   2H5*    C  28          2H5*        C  28   6.809  -5.900   8.907
   14    H4*    C  28           H4*        C  28   8.478  -4.137   8.144
   15    H3*    C  28           H3*        C  28   6.256  -3.337  10.054
   16   2HO*    C  28          2HO*        C  28   9.535  -2.490   8.804
   17    H1*    C  28           H1*        C  28   8.150  -1.213   7.532
   18   1H4     C  28          1H4         C  28   2.105   1.564   8.385
   19   2H4     C  28          2H4         C  28   3.237   2.892   8.263
   20    H5     C  28           H5         C  28   2.821  -0.788   8.468
   21    H6     C  28           H6         C  28   4.690  -2.259   8.388
   22   1H2*    C  28          1H2*        C  28   7.421  -1.237  10.254
   23   1H5*    A  29          1H5*        A  29  10.358  -2.493  11.784
   24   2H5*    A  29          2H5*        A  29  10.227  -2.587  13.551
   25    H4*    A  29           H4*        A  29  11.128  -0.374  12.652
   26    H3*    A  29           H3*        A  29   8.559  -0.379  14.273
   27   2HO*    A  29          2HO*        A  29  10.731   2.921  13.305
   28    H1*    A  29           H1*        A  29   9.497   2.143  11.603
   29    H8     A  29           H8         A  29   6.718  -0.388  12.527
   30   1H6     A  29          1H6         A  29   2.805   4.344  11.762
   31   2H6     A  29          2H6         A  29   2.938   2.621  12.033
   32    H2     A  29           H2         A  29   6.979   5.923  11.504
   33   1H2*    A  29          1H2*        A  29   8.819   2.048  14.276
   34   1H5*    G  30          1H5*        G  30  11.543   2.396  16.091
   35   2H5*    G  30          2H5*        G  30  11.278   2.395  17.844
   36    H4*    G  30           H4*        G  30  11.135   4.681  16.738
   37    H3*    G  30           H3*        G  30   8.714   3.582  18.196
   38   2HO*    G  30          2HO*        G  30  10.320   6.560  16.845
   39    H1*    G  30           H1*        G  30   8.625   6.053  15.325
   40    H8     G  30           H8         G  30   7.313   2.556  16.253
   41    H1     G  30           H1         G  30   2.745   6.823  14.864
   42   1H2     G  30          1H2         G  30   5.332   9.153  14.876
   43   2H2     G  30          2H2         G  30   3.618   8.857  14.689
   44   1H2*    G  30          1H2*        G  30   7.801   5.823  17.956
   45   1H5*    A  31          1H5*        A  31   9.827   7.539  19.904
   46   2H5*    A  31          2H5*        A  31   9.585   7.435  21.658
   47    H4*    A  31           H4*        A  31   8.383   9.368  20.552
   48    H3*    A  31           H3*        A  31   6.746   7.244  21.977
   49   2HO*    A  31          2HO*        A  31   6.774  10.638  20.672
   50    H1*    A  31           H1*        A  31   5.559   9.407  19.088
   51    H8     A  31           H8         A  31   6.081   5.684  19.811
   52   1H6     A  31          1H6         A  31   0.030   4.999  18.737
   53   2H6     A  31          2H6         A  31   1.543   4.169  19.023
   54    H2     A  31           H2         A  31   0.948   9.376  18.811
   55   1H2*    A  31          1H2*        A  31   4.881   8.768  21.696
   56   1H5*    C  32          1H5*        C  32   5.309  10.729  23.730
   57   2H5*    C  32          2H5*        C  32   5.313  10.528  25.490
   58    H4*    C  32           H4*        C  32   3.052  11.115  24.610
   59    H3*    C  32           H3*        C  32   3.305   8.316  25.798
   60   2HO*    C  32          2HO*        C  32   1.015  10.958  24.958
   61    H1*    C  32           H1*        C  32   0.928   9.552  23.086
   62   1H4     C  32          1H4         C  32   1.858   3.074  21.875
   63   2H4     C  32          2H4         C  32   0.124   3.300  21.921
   64    H5     C  32           H5         C  32   3.446   4.850  22.484
   65    H6     C  32           H6         C  32   3.667   7.106  23.179
   66   1H2*    C  32          1H2*        C  32   0.951   8.162  25.535
   67   1H5*    U  33          1H5*        U  33   0.992   8.839  28.751
   68   2H5*    U  33          2H5*        U  33   1.861   8.736  30.299
   69    H4*    U  33           H4*        U  33   0.184   6.906  30.047
   70    H3*    U  33           H3*        U  33   3.086   5.979  29.959
   71   2HO*    U  33          2HO*        U  33   0.035   3.421  30.585
   72    H1*    U  33           H1*        U  33  -0.223   4.605  28.638
   73    H3     U  33           H3         U  33   1.311   0.943  26.321
   74    H5     U  33           H5         U  33   3.933   4.052  25.254
   75    H6     U  33           H6         U  33   2.936   5.412  26.918
   76   1H2*    U  33          1H2*        U  33   2.232   3.794  29.928
   77    HN3  U8U  34           HN3      U8U  34  -4.423  -0.002  33.846
   78    H6   U8U  34           H6       U8U  34  -0.888   3.059  32.793
   79   1HC   U8U  34          1HC       U8U  34  -4.233   4.552  32.972
   80   2HC   U8U  34          2HC       U8U  34  -2.512   4.929  33.057
   81   1HN   U8U  34          1HN       U8U  34  -3.877   3.742  30.744
   82   1HA   U8U  34          1HA       U8U  34  -2.814   6.460  31.070
   83   2HA   U8U  34          2HA       U8U  34  -3.457   5.759  29.568
   84   3HA   U8U  34          3HA       U8U  34  -4.535   6.022  30.952
   85    H1*  U8U  34           H1*      U8U  34   0.158  -0.177  34.300
   86    H2*  U8U  34           H2*      U8U  34  -0.101   0.404  31.430
   87   2HO*  U8U  34          2HO*      U8U  34   1.566  -1.318  33.027
   88    H3*  U8U  34           H3*      U8U  34   1.641   1.907  31.404
   89    H4*  U8U  34           H4*      U8U  34   2.668   0.785  34.021
   90   1H5*  U8U  34          1H5*      U8U  34   3.049   3.154  34.574
   91   2H5*  U8U  34          2H5*      U8U  34   3.923   2.701  33.092
   92   2HN   U8U  34          2HN       U8U  34  -2.285   4.136  30.821
   93   1H5*    U  35          1H5*        U  35   1.968  -2.711  30.556
   94   2H5*    U  35          2H5*        U  35   2.338  -2.548  28.830
   95    H4*    U  35           H4*        U  35   0.252  -3.900  29.334
   96    H3*    U  35           H3*        U  35   0.027  -1.373  27.664
   97   2HO*    U  35          2HO*        U  35  -1.236  -4.447  26.991
   98    H1*    U  35           H1*        U  35  -2.479  -3.291  29.770
   99    H3     U  35           H3         U  35  -5.962  -0.287  29.496
  100    H5     U  35           H5         U  35  -2.530   2.131  29.329
  101    H6     U  35           H6         U  35  -1.200   0.155  29.248
  102   1H2*    U  35          1H2*        U  35  -2.197  -2.200  27.154
  103   1H5*    U  36          1H5*        U  36  -1.448  -4.552  24.968
  104   2H5*    U  36          2H5*        U  36  -0.914  -4.087  23.342
  105    H4*    U  36           H4*        U  36  -3.429  -4.332  23.601
  106    H3*    U  36           H3*        U  36  -2.316  -1.607  22.848
  107   2HO*    U  36          2HO*        U  36  -6.215  -2.721  22.565
  108    H1*    U  36           H1*        U  36  -5.536  -2.423  24.677
  109    H3     U  36           H3         U  36  -6.415   2.054  25.324
  110    H5     U  36           H5         U  36  -2.260   1.736  25.843
  111    H6     U  36           H6         U  36  -2.385  -0.530  25.146
  112   1H2*    U  36          1H2*        U  36  -4.642  -1.031  22.420
  113   1H5*  T6A  37          1H5*      T6A  37  -4.808  -2.396  18.207
  114   2H5*  T6A  37          2H5*      T6A  37  -5.266  -3.105  19.773
  115    H4*  T6A  37           H4*      T6A  37  -7.206  -1.911  19.057
  116    H3*  T6A  37           H3*      T6A  37  -5.241   0.260  18.293
  117    H2*  T6A  37           H2*      T6A  37  -6.881   1.898  18.830
  118   *HO2  T6A  37          *HO2      T6A  37  -9.129   1.272  19.010
  119    H1*  T6A  37           H1*      T6A  37  -8.147   0.433  20.885
  120    H8   T6A  37           H8       T6A  37  -4.347   0.937  20.843
  121    H2   T6A  37           H2       T6A  37  -9.505   4.468  22.646
  122    HN6  T6A  37           HN6      T6A  37  -4.156   5.153  23.137
  123    HN1  T6A  37           HN1      T6A  37  -7.340   6.688  23.831
  124    H12  T6A  37           H12      T6A  37  -6.046   9.239  24.158
  125    H14  T6A  37           H14      T6A  37  -8.221   9.737  25.560
  126    HO4  T6A  37           HO4      T6A  37  -9.805   8.151  25.177
  127   1H15  T6A  37          1H15      T6A  37  -8.024  10.436  23.188
  128   2H15  T6A  37          2H15      T6A  37  -8.381   8.771  22.663
  129   3H15  T6A  37          3H15      T6A  37  -9.625   9.735  23.487
  130   1H5*    A  38          1H5*        A  38  -9.065   1.601  16.227
  131   2H5*    A  38          2H5*        A  38  -8.356   2.350  14.786
  132    H4*    A  38           H4*        A  38  -9.742   3.903  16.294
  133    H3*    A  38           H3*        A  38  -6.845   4.543  15.645
  134   2HO*    A  38          2HO*        A  38  -9.523   7.120  17.304
  135    H1*    A  38           H1*        A  38  -8.692   5.620  18.774
  136    H8     A  38           H8         A  38  -5.563   3.636  17.679
  137   1H6     A  38          1H6         A  38  -2.328   7.597  21.149
  138   2H6     A  38          2H6         A  38  -2.266   6.113  20.226
  139    H2     A  38           H2         A  38  -6.548   9.055  20.934
  140   1H2*    A  38          1H2*        A  38  -7.340   6.713  16.646
  141    HN1  PSU  39           HN1      PSU  39  -2.640   5.469  15.396
  142    HN3  PSU  39           HN3      PSU  39  -0.692   8.058  17.925
  143    H6   PSU  39           H6       PSU  39  -4.466   7.055  15.151
  144    H1*  PSU  39           H1*      PSU  39  -4.854  10.107  17.189
  145    H2*  PSU  39           H2*      PSU  39  -3.452  10.127  14.723
  146   *HO2  PSU  39          *HO2      PSU  39  -5.584  11.796  15.712
  147    H3*  PSU  39           H3*      PSU  39  -5.138   8.989  13.477
  148    H4*  PSU  39           H4*      PSU  39  -7.238  10.264  15.244
  149   1H5*  PSU  39          1H5*      PSU  39  -8.430   8.189  14.894
  150   2H5*  PSU  39          2H5*      PSU  39  -7.884   8.747  13.295
  151   1H5*    C  40          1H5*        C  40  -3.804  13.335  13.681
  152   2H5*    C  40          2H5*        C  40  -3.194  13.517  12.026
  153    H4*    C  40           H4*        C  40  -1.473  13.919  13.880
  154    H3*    C  40           H3*        C  40  -1.033  11.813  11.739
  155   2HO*    C  40          2HO*        C  40   0.578  13.957  14.151
  156    H1*    C  40           H1*        C  40   0.355  11.978  15.279
  157   1H4     C  40          1H4         C  40   0.031   5.497  13.636
  158   2H4     C  40          2H4         C  40   1.518   5.697  14.536
  159    H5     C  40           H5         C  40  -1.381   7.395  12.965
  160    H6     C  40           H6         C  40  -1.652   9.757  13.081
  161   1H2*    C  40          1H2*        C  40   1.210  11.639  12.611
  162   1H5*    U  41          1H5*        U  41   2.444  14.550  11.605
  163   2H5*    U  41          2H5*        U  41   2.853  14.765   9.890
  164    H4*    U  41           H4*        U  41   4.780  13.913  11.282
  165    H3*    U  41           H3*        U  41   3.714  12.072   9.106
  166   2HO*    U  41          2HO*        U  41   7.243  11.604  11.053
  167    H1*    U  41           H1*        U  41   5.469  11.152  12.341
  168    H3     U  41           H3         U  41   4.756   6.662  11.651
  169    H5     U  41           H5         U  41   1.231   8.488  10.275
  170    H6     U  41           H6         U  41   2.262  10.599  10.557
  171   1H2*    U  41          1H2*        U  41   5.681  10.740   9.579
  172   1H5*    G  42          1H5*        G  42   8.105  12.803   8.494
  173   2H5*    G  42          2H5*        G  42   8.340  12.863   6.736
  174    H4*    G  42           H4*        G  42   9.835  11.205   7.886
  175    H3*    G  42           H3*        G  42   7.788  10.116   5.922
  176   2HO*    G  42          2HO*        G  42  10.879   9.446   7.708
  177    H1*    G  42           H1*        G  42   9.239   8.254   8.892
  178    H8     G  42           H8         G  42   5.865   9.425   7.417
  179    H1     G  42           H1         G  42   6.205   3.157   8.690
  180   1H2     G  42          1H2         G  42   9.571   3.773   9.334
  181   2H2     G  42          2H2         G  42   8.276   2.599   9.258
  182   1H2*    G  42          1H2*        G  42   8.967   8.020   6.145
  183   1H5*    A  43          1H5*        A  43  11.775   8.696   4.654
  184   2H5*    A  43          2H5*        A  43  11.781   8.761   2.881
  185    H4*    A  43           H4*        A  43  12.373   6.497   3.769
  186    H3*    A  43           H3*        A  43   9.775   6.693   2.191
  187   2HO*    A  43          2HO*        A  43  12.103   4.102   1.884
  188    H1*    A  43           H1*        A  43  10.555   4.161   4.903
  189    H8     A  43           H8         A  43   8.046   6.962   4.035
  190   1H6     A  43          1H6         A  43   3.644   2.711   4.948
  191   2H6     A  43          2H6         A  43   3.967   4.403   4.645
  192    H2     A  43           H2         A  43   7.620   0.675   5.152
  193    H3T    A  43           H3T        A  43  11.233   5.913   0.561
  194   1H2*    A  43          1H2*        A  43   9.821   4.280   2.240
  Start of MODEL   16
    1   1H5*    U  27          1H5*        U  27   1.812  -7.151   4.340
    2   2H5*    U  27          2H5*        U  27   2.136  -7.468   6.059
    3    H4*    U  27           H4*        U  27   4.067  -6.367   4.936
    4    H3*    U  27           H3*        U  27   2.637  -4.611   6.969
    5   2HO*    U  27          2HO*        U  27   6.352  -3.951   5.492
    6    H1*    U  27           H1*        U  27   4.739  -3.739   3.943
    7    H3     U  27           H3         U  27   4.030   0.798   4.306
    8    H5     U  27           H5         U  27   0.346  -0.907   5.385
    9    H6     U  27           H6         U  27   1.364  -3.054   5.315
   10    H5*    U  27           H5*        U  27   0.073  -6.538   5.697
   11   1H2*    U  27          1H2*        U  27   4.542  -3.169   6.706
   12   1H5*    C  28          1H5*        C  28   7.028  -5.600   7.941
   13   2H5*    C  28          2H5*        C  28   7.173  -5.606   9.710
   14    H4*    C  28           H4*        C  28   8.909  -4.179   8.523
   15    H3*    C  28           H3*        C  28   6.974  -2.814  10.427
   16   2HO*    C  28          2HO*        C  28  10.394  -1.175   8.968
   17    H1*    C  28           H1*        C  28   8.786  -1.368   7.426
   18   1H4     C  28          1H4         C  28   3.180   2.160   8.412
   19   2H4     C  28          2H4         C  28   4.423   3.327   8.019
   20    H5     C  28           H5         C  28   3.660  -0.227   8.757
   21    H6     C  28           H6         C  28   5.352  -1.896   8.727
   22   1H2*    C  28          1H2*        C  28   8.436  -0.887  10.166
   23   1H5*    A  29          1H5*        A  29  11.193  -2.043  11.690
   24   2H5*    A  29          2H5*        A  29  11.200  -1.967  13.463
   25    H4*    A  29           H4*        A  29  12.188   0.062  12.336
   26    H3*    A  29           H3*        A  29   9.688   0.458  14.024
   27   2HO*    A  29          2HO*        A  29  12.602   2.243  13.866
   28    H1*    A  29           H1*        A  29  10.718   2.620  11.105
   29    H8     A  29           H8         A  29   7.813   0.378  12.267
   30   1H6     A  29          1H6         A  29   4.226   5.371  11.598
   31   2H6     A  29          2H6         A  29   4.249   3.648  11.901
   32    H2     A  29           H2         A  29   8.483   6.630  11.075
   33   1H2*    A  29          1H2*        A  29  10.200   2.834  13.804
   34   1H5*    G  30          1H5*        G  30  12.493   3.301  15.610
   35   2H5*    G  30          2H5*        G  30  12.341   3.257  17.377
   36    H4*    G  30           H4*        G  30  11.997   5.535  16.389
   37    H3*    G  30           H3*        G  30   9.609   4.265  17.781
   38   2HO*    G  30          2HO*        G  30  10.906   7.424  17.946
   39    H1*    G  30           H1*        G  30   9.396   6.806  15.001
   40    H8     G  30           H8         G  30   8.399   3.179  15.557
   41    H1     G  30           H1         G  30   3.412   7.161  15.024
   42   1H2     G  30          1H2         G  30   5.789   9.694  15.254
   43   2H2     G  30          2H2         G  30   4.100   9.270  15.088
   44   1H2*    G  30          1H2*        G  30   8.630   6.495  17.632
   45   1H5*    A  31          1H5*        A  31  10.213   8.145  19.724
   46   2H5*    A  31          2H5*        A  31   9.963   7.878  21.460
   47    H4*    A  31           H4*        A  31   8.506   9.685  20.474
   48    H3*    A  31           H3*        A  31   7.159   7.231  21.655
   49   2HO*    A  31          2HO*        A  31   6.720  10.689  20.633
   50    H1*    A  31           H1*        A  31   5.770   9.450  18.891
   51    H8     A  31           H8         A  31   6.823   5.798  19.269
   52   1H6     A  31          1H6         A  31   1.000   4.357  17.746
   53   2H6     A  31          2H6         A  31   2.608   3.729  18.032
   54    H2     A  31           H2         A  31   1.230   8.780  18.374
   55   1H2*    A  31          1H2*        A  31   5.097   8.469  21.396
   56   1H5*    C  32          1H5*        C  32   5.239  10.420  23.623
   57   2H5*    C  32          2H5*        C  32   5.175  10.063  25.358
   58    H4*    C  32           H4*        C  32   2.906  10.479  24.358
   59    H3*    C  32           H3*        C  32   3.419   7.669  25.423
   60   2HO*    C  32          2HO*        C  32  -0.223   9.180  24.504
   61    H1*    C  32           H1*        C  32   1.047   8.765  22.668
   62   1H4     C  32          1H4         C  32   1.133   2.505  21.221
   63   2H4     C  32          2H4         C  32   2.863   2.447  21.472
   64    H5     C  32           H5         C  32   4.141   4.349  22.373
   65    H6     C  32           H6         C  32   4.011   6.595  23.124
   66   1H2*    C  32          1H2*        C  32   1.066   7.343  25.091
   67   1H5*    U  33          1H5*        U  33   0.913   8.093  28.343
   68   2H5*    U  33          2H5*        U  33   1.722   8.092  29.925
   69    H4*    U  33           H4*        U  33   0.093   6.240  29.763
   70    H3*    U  33           H3*        U  33   2.986   5.283  29.721
   71   2HO*    U  33          2HO*        U  33  -0.216   2.940  30.503
   72    H1*    U  33           H1*        U  33  -0.235   3.767  28.383
   73    H3     U  33           H3         U  33   1.805   0.103  26.483
   74    H5     U  33           H5         U  33   4.232   3.363  25.408
   75    H6     U  33           H6         U  33   2.990   4.731  26.883
   76   1H2*    U  33          1H2*        U  33   2.035   3.111  29.972
   77    HN3  U8U  34           HN3      U8U  34  -5.199   0.611  33.996
   78    H6   U8U  34           H6       U8U  34  -1.308   3.195  32.921
   79   1HC   U8U  34          1HC       U8U  34  -4.477   5.045  32.821
   80   2HC   U8U  34          2HC       U8U  34  -2.742   5.244  33.080
   81   1HN   U8U  34          1HN       U8U  34  -3.959   4.069  30.682
   82   1HA   U8U  34          1HA       U8U  34  -2.738   6.717  31.026
   83   2HA   U8U  34          2HA       U8U  34  -3.222   5.986  29.479
   84   3HA   U8U  34          3HA       U8U  34  -4.454   6.388  30.691
   85    H1*  U8U  34           H1*      U8U  34  -0.699   0.005  34.726
   86    H2*  U8U  34           H2*      U8U  34  -0.821   0.223  31.793
   87   2HO*  U8U  34          2HO*      U8U  34  -0.931  -1.717  33.099
   88    H3*  U8U  34           H3*      U8U  34   1.138   1.425  31.629
   89    H4*  U8U  34           H4*      U8U  34   1.924   0.568  34.426
   90   1H5*  U8U  34          1H5*      U8U  34   2.633   2.909  34.654
   91   2H5*  U8U  34          2H5*      U8U  34   3.444   2.149  33.263
   92   2HN   U8U  34          2HN       U8U  34  -2.358   4.343  30.922
   93   1H5*    U  35          1H5*        U  35   0.638  -3.218  31.309
   94   2H5*    U  35          2H5*        U  35   1.042  -3.268  29.584
   95    H4*    U  35           H4*        U  35  -1.262  -4.143  30.095
   96    H3*    U  35           H3*        U  35  -1.048  -1.662  28.360
   97   2HO*    U  35          2HO*        U  35  -4.298  -4.077  28.494
   98    H1*    U  35           H1*        U  35  -3.748  -3.225  30.516
   99    H3     U  35           H3         U  35  -6.924   0.128  30.631
  100    H5     U  35           H5         U  35  -3.336   2.181  29.881
  101    H6     U  35           H6         U  35  -2.215   0.072  29.770
  102   1H2*    U  35          1H2*        U  35  -3.373  -2.031  27.923
  103   1H5*    U  36          1H5*        U  36  -2.951  -4.935  25.965
  104   2H5*    U  36          2H5*        U  36  -2.438  -4.707  24.282
  105    H4*    U  36           H4*        U  36  -4.951  -4.772  24.614
  106    H3*    U  36           H3*        U  36  -3.714  -2.218  23.521
  107   2HO*    U  36          2HO*        U  36  -6.522  -3.870  22.438
  108    H1*    U  36           H1*        U  36  -6.925  -2.609  25.484
  109    H3     U  36           H3         U  36  -7.516   1.955  25.588
  110    H5     U  36           H5         U  36  -3.382   1.435  26.121
  111    H6     U  36           H6         U  36  -3.656  -0.881  25.679
  112   1H2*    U  36          1H2*        U  36  -6.016  -1.580  23.047
  113   1H5*  T6A  37          1H5*      T6A  37  -6.027  -2.959  18.894
  114   2H5*  T6A  37          2H5*      T6A  37  -6.735  -3.442  20.453
  115    H4*  T6A  37           H4*      T6A  37  -8.308  -1.908  19.520
  116    H3*  T6A  37           H3*      T6A  37  -5.860  -0.278  18.814
  117    H2*  T6A  37           H2*      T6A  37  -7.072   1.705  19.161
  118   *HO2  T6A  37          *HO2      T6A  37  -9.411   1.684  19.108
  119    H1*  T6A  37           H1*      T6A  37  -8.900   0.634  21.081
  120    H8   T6A  37           H8       T6A  37  -5.097   0.480  21.523
  121    H2   T6A  37           H2       T6A  37  -9.754   4.899  22.577
  122    HN6  T6A  37           HN6      T6A  37  -4.459   4.724  23.696
  123    HN1  T6A  37           HN1      T6A  37  -7.405   6.777  23.970
  124    H12  T6A  37           H12      T6A  37  -5.762   9.102  24.355
  125    H14  T6A  37           H14      T6A  37  -7.957  10.013  25.488
  126    HO4  T6A  37           HO4      T6A  37  -8.720   7.935  25.978
  127   1H15  T6A  37          1H15      T6A  37  -7.418  10.515  23.111
  128   2H15  T6A  37          2H15      T6A  37  -8.016   8.903  22.641
  129   3H15  T6A  37          3H15      T6A  37  -9.137  10.117  23.291
  130   1H5*    A  38          1H5*        A  38  -9.381   1.518  16.290
  131   2H5*    A  38          2H5*        A  38  -8.421   2.144  14.940
  132    H4*    A  38           H4*        A  38  -9.829   3.840  16.334
  133    H3*    A  38           H3*        A  38  -6.876   4.243  15.753
  134   2HO*    A  38          2HO*        A  38  -9.406   7.064  17.243
  135    H1*    A  38           H1*        A  38  -8.694   5.579  18.789
  136    H8     A  38           H8         A  38  -5.725   3.298  17.840
  137   1H6     A  38          1H6         A  38  -2.210   7.158  21.145
  138   2H6     A  38          2H6         A  38  -2.263   5.626  20.302
  139    H2     A  38           H2         A  38  -6.290   8.947  20.791
  140   1H2*    A  38          1H2*        A  38  -7.244   6.488  16.645
  141    HN1  PSU  39           HN1      PSU  39  -2.500   4.972  15.420
  142    HN3  PSU  39           HN3      PSU  39  -0.466   7.565  17.878
  143    H6   PSU  39           H6       PSU  39  -4.270   6.612  15.122
  144    H1*  PSU  39           H1*      PSU  39  -4.555   9.729  17.077
  145    H2*  PSU  39           H2*      PSU  39  -3.155   9.655  14.598
  146   *HO2  PSU  39          *HO2      PSU  39  -3.655  11.495  15.952
  147    H3*  PSU  39           H3*      PSU  39  -4.881   8.582  13.380
  148    H4*  PSU  39           H4*      PSU  39  -6.934   9.932  15.143
  149   1H5*  PSU  39          1H5*      PSU  39  -8.208   7.928  14.791
  150   2H5*  PSU  39          2H5*      PSU  39  -7.591   8.395  13.189
  151   1H5*    C  40          1H5*        C  40  -3.654  13.092  13.646
  152   2H5*    C  40          2H5*        C  40  -2.993  13.268  12.011
  153    H4*    C  40           H4*        C  40  -1.368  13.790  13.944
  154    H3*    C  40           H3*        C  40  -0.763  11.764  11.770
  155   2HO*    C  40          2HO*        C  40   0.685  13.961  14.214
  156    H1*    C  40           H1*        C  40   0.549  11.968  15.344
  157   1H4     C  40          1H4         C  40   0.672   5.480  13.680
  158   2H4     C  40          2H4         C  40   2.099   5.761  14.651
  159    H5     C  40           H5         C  40  -0.820   7.297  12.952
  160    H6     C  40           H6         C  40  -1.231   9.638  13.062
  161   1H2*    C  40          1H2*        C  40   1.468  11.684  12.680
  162   1H5*    U  41          1H5*        U  41   2.613  14.583  11.705
  163   2H5*    U  41          2H5*        U  41   2.907  14.950   9.992
  164    H4*    U  41           H4*        U  41   4.950  14.111  11.170
  165    H3*    U  41           H3*        U  41   3.820  12.344   8.965
  166   2HO*    U  41          2HO*        U  41   6.751  13.142  10.936
  167    H1*    U  41           H1*        U  41   5.862  11.305  11.984
  168    H3     U  41           H3         U  41   5.278   6.846  10.996
  169    H5     U  41           H5         U  41   1.571   8.604  10.088
  170    H6     U  41           H6         U  41   2.536  10.733  10.450
  171   1H2*    U  41          1H2*        U  41   5.845  11.075   9.192
  172   1H5*    G  42          1H5*        G  42   8.055  13.220   7.975
  173   2H5*    G  42          2H5*        G  42   8.122  13.397   6.210
  174    H4*    G  42           H4*        G  42   9.703  11.654   7.091
  175    H3*    G  42           H3*        G  42   7.447  10.680   5.295
  176   2HO*    G  42          2HO*        G  42  10.715   8.515   6.350
  177    H1*    G  42           H1*        G  42   9.179   8.666   7.999
  178    H8     G  42           H8         G  42   5.683   9.929   6.937
  179    H1     G  42           H1         G  42   6.091   3.603   7.835
  180   1H2     G  42          1H2         G  42   9.510   4.169   8.176
  181   2H2     G  42          2H2         G  42   8.203   3.007   8.172
  182   1H2*    G  42          1H2*        G  42   8.662   8.578   5.286
  183   1H5*    A  43          1H5*        A  43  11.290   9.335   3.574
  184   2H5*    A  43          2H5*        A  43  11.108   9.447   1.812
  185    H4*    A  43           H4*        A  43  11.799   7.165   2.565
  186    H3*    A  43           H3*        A  43   9.034   7.375   1.303
  187   2HO*    A  43          2HO*        A  43  11.324   4.825   0.638
  188    H1*    A  43           H1*        A  43  10.195   4.788   3.828
  189    H8     A  43           H8         A  43   7.488   7.503   3.315
  190   1H6     A  43          1H6         A  43   3.416   3.087   4.804
  191   2H6     A  43          2H6         A  43   3.627   4.788   4.456
  192    H2     A  43           H2         A  43   7.463   1.212   4.497
  193    H3T    A  43           H3T        A  43  10.872   8.027   0.028
  194   1H2*    A  43          1H2*        A  43   9.105   4.964   1.285
  Start of MODEL   17
    1   1H5*    U  27          1H5*        U  27   2.580  -6.973   2.776
    2   2H5*    U  27          2H5*        U  27   2.817  -7.611   4.417
    3    H4*    U  27           H4*        U  27   4.666  -6.094   3.735
    4    H3*    U  27           H3*        U  27   2.883  -4.942   5.916
    5   2HO*    U  27          2HO*        U  27   6.591  -3.618   4.967
    6    H1*    U  27           H1*        U  27   5.094  -3.292   3.325
    7    H3     U  27           H3         U  27   3.817   1.015   4.344
    8    H5     U  27           H5         U  27   0.315  -1.241   4.885
    9    H6     U  27           H6         U  27   1.586  -3.221   4.533
   10    H5*    U  27           H5*        U  27   1.334  -6.091   5.166
   11   1H2*    U  27          1H2*        U  27   4.609  -3.285   6.117
   12   1H5*    C  28          1H5*        C  28   7.252  -5.554   7.178
   13   2H5*    C  28          2H5*        C  28   7.241  -5.836   8.930
   14    H4*    C  28           H4*        C  28   8.804  -3.978   8.173
   15    H3*    C  28           H3*        C  28   6.510  -3.288  10.041
   16   2HO*    C  28          2HO*        C  28   9.774  -2.295   8.900
   17    H1*    C  28           H1*        C  28   8.394  -1.145   7.520
   18   1H4     C  28          1H4         C  28   2.272   1.553   8.105
   19   2H4     C  28          2H4         C  28   3.377   2.893   7.899
   20    H5     C  28           H5         C  28   3.034  -0.773   8.351
   21    H6     C  28           H6         C  28   4.937  -2.208   8.382
   22   1H2*    C  28          1H2*        C  28   7.532  -1.124  10.221
   23   1H5*    A  29          1H5*        A  29  10.668  -2.344  11.752
   24   2H5*    A  29          2H5*        A  29  10.543  -2.416  13.520
   25    H4*    A  29           H4*        A  29  11.488  -0.238  12.593
   26    H3*    A  29           H3*        A  29   8.938  -0.178  14.236
   27   2HO*    A  29          2HO*        A  29  11.702   1.779  12.911
   28    H1*    A  29           H1*        A  29   9.896   2.314  11.541
   29    H8     A  29           H8         A  29   7.077  -0.157  12.510
   30   1H6     A  29          1H6         A  29   3.243   4.637  11.751
   31   2H6     A  29          2H6         A  29   3.350   2.914  12.034
   32    H2     A  29           H2         A  29   7.442   6.136  11.414
   33   1H2*    A  29          1H2*        A  29   9.208   2.234  14.218
   34   1H5*    G  30          1H5*        G  30  11.887   2.612  16.047
   35   2H5*    G  30          2H5*        G  30  11.626   2.584  17.800
   36    H4*    G  30           H4*        G  30  11.433   4.883  16.731
   37    H3*    G  30           H3*        G  30   9.016   3.716  18.151
   38   2HO*    G  30          2HO*        G  30   9.451   7.602  17.027
   39    H1*    G  30           H1*        G  30   8.912   6.225  15.319
   40    H8     G  30           H8         G  30   7.664   2.691  16.176
   41    H1     G  30           H1         G  30   3.016   6.903  14.887
   42   1H2     G  30          1H2         G  30   5.561   9.279  14.948
   43   2H2     G  30          2H2         G  30   3.853   8.956  14.751
   44   1H2*    G  30          1H2*        G  30   8.093   5.968  17.944
   45   1H5*    A  31          1H5*        A  31   9.988   7.634  19.932
   46   2H5*    A  31          2H5*        A  31   9.727   7.505  21.682
   47    H4*    A  31           H4*        A  31   8.460   9.397  20.573
   48    H3*    A  31           H3*        A  31   6.897   7.194  21.962
   49   2HO*    A  31          2HO*        A  31   6.792  10.593  20.687
   50    H1*    A  31           H1*        A  31   5.665   9.329  19.064
   51    H8     A  31           H8         A  31   6.334   5.623  19.737
   52   1H6     A  31          1H6         A  31   0.342   4.696  18.520
   53   2H6     A  31          2H6         A  31   1.884   3.926  18.821
   54    H2     A  31           H2         A  31   1.062   9.105  18.705
   55   1H2*    A  31          1H2*        A  31   4.967   8.624  21.653
   56   1H5*    C  32          1H5*        C  32   5.279  10.620  23.706
   57   2H5*    C  32          2H5*        C  32   5.227  10.391  25.463
   58    H4*    C  32           H4*        C  32   2.968  10.884  24.490
   59    H3*    C  32           H3*        C  32   3.319   8.107  25.697
   60   2HO*    C  32          2HO*        C  32  -0.234   9.782  24.720
   61    H1*    C  32           H1*        C  32   0.976   9.162  22.902
   62   1H4     C  32          1H4         C  32   0.656   2.818  21.998
   63   2H4     C  32          2H4         C  32   2.400   2.705  22.072
   64    H5     C  32           H5         C  32   3.830   4.609  22.686
   65    H6     C  32           H6         C  32   3.864   6.907  23.271
   66   1H2*    C  32          1H2*        C  32   0.950   7.906  25.405
   67   1H5*    U  33          1H5*        U  33   0.878   8.578  28.519
   68   2H5*    U  33          2H5*        U  33   1.675   8.523  30.107
   69    H4*    U  33           H4*        U  33   0.064   6.661  29.861
   70    H3*    U  33           H3*        U  33   2.974   5.752  29.817
   71   2HO*    U  33          2HO*        U  33  -0.146   3.268  30.445
   72    H1*    U  33           H1*        U  33  -0.233   4.256  28.400
   73    H3     U  33           H3         U  33   1.603   0.938  25.802
   74    H5     U  33           H5         U  33   4.357   4.101  25.528
   75    H6     U  33           H6         U  33   3.128   5.267  27.189
   76   1H2*    U  33          1H2*        U  33   2.089   3.552  29.908
   77    HN3  U8U  34           HN3      U8U  34  -4.786   0.107  33.641
   78    H6   U8U  34           H6       U8U  34  -1.157   3.111  32.754
   79   1HC   U8U  34          1HC       U8U  34  -4.492   4.639  32.684
   80   2HC   U8U  34          2HC       U8U  34  -2.780   5.001  32.910
   81   1HN   U8U  34          1HN       U8U  34  -3.944   3.786  30.504
   82   1HA   U8U  34          1HA       U8U  34  -4.640   6.054  30.608
   83   2HA   U8U  34          2HA       U8U  34  -2.947   6.519  30.897
   84   3HA   U8U  34          3HA       U8U  34  -3.422   5.795  29.345
   85    H1*  U8U  34           H1*      U8U  34  -0.263  -0.069  34.459
   86    H2*  U8U  34           H2*      U8U  34  -0.333   0.275  31.543
   87   2HO*  U8U  34          2HO*      U8U  34   1.204  -1.329  33.375
   88    H3*  U8U  34           H3*      U8U  34   1.438   1.749  31.501
   89    H4*  U8U  34           H4*      U8U  34   2.289   0.801  34.253
   90   1H5*  U8U  34          1H5*      U8U  34   2.711   3.197  34.651
   91   2H5*  U8U  34          2H5*      U8U  34   3.654   2.603  33.263
   92   2HN   U8U  34          2HN       U8U  34  -2.367   4.194  30.714
   93   1H5*    U  35          1H5*        U  35   1.564  -2.900  30.909
   94   2H5*    U  35          2H5*        U  35   2.004  -2.791  29.194
   95    H4*    U  35           H4*        U  35  -0.137  -4.013  29.548
   96    H3*    U  35           H3*        U  35  -0.327  -1.366  28.067
   97   2HO*    U  35          2HO*        U  35  -1.711  -4.658  28.348
   98    H1*    U  35           H1*        U  35  -2.718  -3.583  29.984
   99    H3     U  35           H3         U  35  -6.442  -0.883  30.425
  100    H5     U  35           H5         U  35  -3.288   1.846  29.918
  101    H6     U  35           H6         U  35  -1.808  -0.008  29.596
  102   1H2*    U  35          1H2*        U  35  -2.540  -2.046  27.543
  103   1H5*    U  36          1H5*        U  36  -1.649  -4.436  25.246
  104   2H5*    U  36          2H5*        U  36  -1.093  -3.966  23.628
  105    H4*    U  36           H4*        U  36  -3.599  -4.305  23.808
  106    H3*    U  36           H3*        U  36  -2.582  -1.532  23.093
  107   2HO*    U  36          2HO*        U  36  -6.419  -2.812  22.692
  108    H1*    U  36           H1*        U  36  -5.818  -2.487  24.824
  109    H3     U  36           H3         U  36  -6.894   1.946  25.461
  110    H5     U  36           H5         U  36  -2.748   1.787  26.115
  111    H6     U  36           H6         U  36  -2.760  -0.475  25.396
  112   1H2*    U  36          1H2*        U  36  -4.916  -1.056  22.596
  113   1H5*  T6A  37          1H5*      T6A  37  -4.863  -2.333  18.379
  114   2H5*  T6A  37          2H5*      T6A  37  -5.376  -3.045  19.927
  115    H4*  T6A  37           H4*      T6A  37  -7.292  -1.852  19.140
  116    H3*  T6A  37           H3*      T6A  37  -5.299   0.321  18.458
  117    H2*  T6A  37           H2*      T6A  37  -6.952   1.959  18.942
  118   *HO2  T6A  37          *HO2      T6A  37  -9.207   1.344  19.027
  119    H1*  T6A  37           H1*      T6A  37  -8.306   0.482  20.934
  120    H8   T6A  37           H8       T6A  37  -4.513   0.972  21.092
  121    H2   T6A  37           H2       T6A  37  -9.739   4.547  22.586
  122    HN6  T6A  37           HN6      T6A  37  -4.421   5.199  23.374
  123    HN1  T6A  37           HN1      T6A  37  -7.629   6.757  23.881
  124    H12  T6A  37           H12      T6A  37  -6.339   9.301  24.268
  125    H14  T6A  37           H14      T6A  37  -8.586   9.821  25.543
  126    HO4  T6A  37           HO4      T6A  37 -10.156   8.241  25.082
  127   1H15  T6A  37          1H15      T6A  37  -9.872   9.813  23.395
  128   2H15  T6A  37          2H15      T6A  37  -8.253  10.504  23.182
  129   3H15  T6A  37          3H15      T6A  37  -8.589   8.838  22.647
  130   1H5*    A  38          1H5*        A  38  -9.053   1.665  16.249
  131   2H5*    A  38          2H5*        A  38  -8.288   2.423  14.842
  132    H4*    A  38           H4*        A  38  -9.740   3.959  16.314
  133    H3*    A  38           H3*        A  38  -6.832   4.621  15.741
  134   2HO*    A  38          2HO*        A  38  -9.538   6.790  15.726
  135    H1*    A  38           H1*        A  38  -8.765   5.682  18.824
  136    H8     A  38           H8         A  38  -5.602   3.702  17.832
  137   1H6     A  38          1H6         A  38  -2.473   7.704  21.352
  138   2H6     A  38          2H6         A  38  -2.382   6.211  20.445
  139    H2     A  38           H2         A  38  -6.686   9.154  21.001
  140   1H2*    A  38          1H2*        A  38  -7.364   6.785  16.732
  141    HN1  PSU  39           HN1      PSU  39  -2.590   5.437  15.466
  142    HN3  PSU  39           HN3      PSU  39  -0.640   7.927  18.092
  143    H6   PSU  39           H6       PSU  39  -4.384   7.060  15.231
  144    H1*  PSU  39           H1*      PSU  39  -4.751  10.067  17.340
  145    H2*  PSU  39           H2*      PSU  39  -3.322  10.132  14.891
  146   *HO2  PSU  39          *HO2      PSU  39  -5.454  11.792  15.891
  147    H3*  PSU  39           H3*      PSU  39  -5.004   9.026  13.608
  148    H4*  PSU  39           H4*      PSU  39  -7.107  10.306  15.369
  149   1H5*  PSU  39          1H5*      PSU  39  -8.345   8.285  14.952
  150   2H5*  PSU  39          2H5*      PSU  39  -7.735   8.828  13.371
  151   1H5*    C  40          1H5*        C  40  -3.644  13.369  13.922
  152   2H5*    C  40          2H5*        C  40  -3.035  13.594  12.272
  153    H4*    C  40           H4*        C  40  -1.318  13.970  14.129
  154    H3*    C  40           H3*        C  40  -0.849  11.892  11.966
  155   2HO*    C  40          2HO*        C  40   1.427  14.198  13.162
  156    H1*    C  40           H1*        C  40   0.538  11.997  15.488
  157   1H4     C  40          1H4         C  40   0.315   5.585  13.643
  158   2H4     C  40          2H4         C  40   1.841   5.796  14.473
  159    H5     C  40           H5         C  40  -1.172   7.466  13.096
  160    H6     C  40           H6         C  40  -1.485   9.816  13.280
  161   1H2*    C  40          1H2*        C  40   1.428  11.833  12.828
  162   1H5*    U  41          1H5*        U  41   2.641  14.691  11.588
  163   2H5*    U  41          2H5*        U  41   2.879  14.852   9.837
  164    H4*    U  41           H4*        U  41   4.927  14.042  11.055
  165    H3*    U  41           H3*        U  41   3.658  12.124   9.064
  166   2HO*    U  41          2HO*        U  41   7.372  11.745  10.658
  167    H1*    U  41           H1*        U  41   5.725  11.281  12.116
  168    H3     U  41           H3         U  41   4.991   6.792  11.387
  169    H5     U  41           H5         U  41   1.312   8.608  10.481
  170    H6     U  41           H6         U  41   2.341  10.724  10.718
  171   1H2*    U  41          1H2*        U  41   5.688  10.832   9.360
  172   1H5*    G  42          1H5*        G  42   7.946  12.897   7.988
  173   2H5*    G  42          2H5*        G  42   8.012  12.909   6.214
  174    H4*    G  42           H4*        G  42   9.648  11.314   7.262
  175    H3*    G  42           H3*        G  42   7.445  10.113   5.543
  176   2HO*    G  42          2HO*        G  42  10.783   8.166   6.789
  177    H1*    G  42           H1*        G  42   9.224   8.392   8.410
  178    H8     G  42           H8         G  42   5.696   9.439   7.241
  179    H1     G  42           H1         G  42   6.335   3.211   8.593
  180   1H2     G  42          1H2         G  42   9.728   3.930   8.898
  181   2H2     G  42          2H2         G  42   8.466   2.721   8.971
  182   1H2*    G  42          1H2*        G  42   8.739   8.064   5.710
  183   1H5*    A  43          1H5*        A  43  11.327   8.780   3.950
  184   2H5*    A  43          2H5*        A  43  11.181   8.796   2.181
  185    H4*    A  43           H4*        A  43  11.932   6.584   3.082
  186    H3*    A  43           H3*        A  43   9.225   6.660   1.692
  187   2HO*    A  43          2HO*        A  43  11.974   4.553   2.737
  188    H1*    A  43           H1*        A  43  10.290   4.215   4.404
  189    H8     A  43           H8         A  43   7.620   6.918   3.746
  190   1H6     A  43          1H6         A  43   3.461   2.535   5.082
  191   2H6     A  43          2H6         A  43   3.699   4.234   4.741
  192    H2     A  43           H2         A  43   7.504   0.630   4.938
  193    H3T    A  43           H3T        A  43  11.872   5.936   0.893
  194   1H2*    A  43          1H2*        A  43   9.289   4.267   1.817
  Start of MODEL   18
    1   1H5*    U  27          1H5*        U  27   0.656  -6.505   4.095
    2   2H5*    U  27          2H5*        U  27   0.936  -6.991   5.782
    3    H4*    U  27           H4*        U  27   2.940  -5.897   4.784
    4    H3*    U  27           H3*        U  27   1.570  -4.256   6.950
    5   2HO*    U  27          2HO*        U  27   5.343  -3.673   5.593
    6    H1*    U  27           H1*        U  27   3.778  -3.269   4.034
    7    H3     U  27           H3         U  27   3.324   1.276   4.639
    8    H5     U  27           H5         U  27  -0.436  -0.273   5.696
    9    H6     U  27           H6         U  27   0.455  -2.469   5.480
   10    H5*    U  27           H5*        U  27  -0.378  -4.628   4.910
   11   1H2*    U  27          1H2*        U  27   3.548  -2.898   6.834
   12   1H5*    C  28          1H5*        C  28   5.884  -5.582   7.883
   13   2H5*    C  28          2H5*        C  28   6.002  -5.749   9.646
   14    H4*    C  28           H4*        C  28   7.833  -4.328   8.603
   15    H3*    C  28           H3*        C  28   5.952  -3.026  10.604
   16   2HO*    C  28          2HO*        C  28   9.481  -1.466   9.325
   17    H1*    C  28           H1*        C  28   7.882  -1.425   7.759
   18   1H4     C  28          1H4         C  28   2.476   2.318   9.032
   19   2H4     C  28          2H4         C  28   3.790   3.441   8.762
   20    H5     C  28           H5         C  28   2.812  -0.116   9.150
   21    H6     C  28           H6         C  28   4.406  -1.871   8.975
   22   1H2*    C  28          1H2*        C  28   7.527  -1.172  10.529
   23   1H5*    A  29          1H5*        A  29  10.145  -2.542  11.999
   24   2H5*    A  29          2H5*        A  29  10.116  -2.570  13.773
   25    H4*    A  29           H4*        A  29  11.152  -0.480  12.782
   26    H3*    A  29           H3*        A  29   8.638  -0.174  14.463
   27   2HO*    A  29          2HO*        A  29  11.093   2.857  13.319
   28    H1*    A  29           H1*        A  29   9.742   2.139  11.669
   29    H8     A  29           H8         A  29   6.773  -0.102  12.694
   30   1H6     A  29          1H6         A  29   3.275   4.946  11.940
   31   2H6     A  29          2H6         A  29   3.263   3.221  12.232
   32    H2     A  29           H2         A  29   7.563   6.154  11.592
   33   1H2*    A  29          1H2*        A  29   9.128   2.208  14.358
   34   1H5*    G  30          1H5*        G  30  11.797   2.410  16.144
   35   2H5*    G  30          2H5*        G  30  11.598   2.432  17.906
   36    H4*    G  30           H4*        G  30  11.539   4.715  16.810
   37    H3*    G  30           H3*        G  30   9.064   3.763  18.296
   38   2HO*    G  30          2HO*        G  30  10.724   6.730  18.281
   39    H1*    G  30           H1*        G  30   9.073   6.212  15.416
   40    H8     G  30           H8         G  30   7.622   2.773  16.314
   41    H1     G  30           H1         G  30   3.217   7.288  15.225
   42   1H2     G  30          1H2         G  30   5.909   9.495  15.198
   43   2H2     G  30          2H2         G  30   4.178   9.280  15.058
   44   1H2*    G  30          1H2*        G  30   8.315   6.078  18.066
   45   1H5*    A  31          1H5*        A  31  10.108   7.654  19.994
   46   2H5*    A  31          2H5*        A  31   9.858   7.536  21.747
   47    H4*    A  31           H4*        A  31   8.584   9.414  20.646
   48    H3*    A  31           H3*        A  31   7.005   7.203  22.005
   49   2HO*    A  31          2HO*        A  31   6.914  10.609  20.746
   50    H1*    A  31           H1*        A  31   5.812   9.357  19.101
   51    H8     A  31           H8         A  31   6.480   5.653  19.772
   52   1H6     A  31          1H6         A  31   0.526   4.707  18.385
   53   2H6     A  31          2H6         A  31   2.061   3.941  18.729
   54    H2     A  31           H2         A  31   1.225   9.118  18.602
   55   1H2*    A  31          1H2*        A  31   5.078   8.632  21.674
   56   1H5*    C  32          1H5*        C  32   5.415  10.672  23.753
   57   2H5*    C  32          2H5*        C  32   5.330  10.438  25.508
   58    H4*    C  32           H4*        C  32   3.100  10.985  24.492
   59    H3*    C  32           H3*        C  32   3.367   8.203  25.709
   60   2HO*    C  32          2HO*        C  32  -0.128   9.954  24.654
   61    H1*    C  32           H1*        C  32   1.100   9.288  22.864
   62   1H4     C  32          1H4         C  32   0.668   2.939  22.048
   63   2H4     C  32          2H4         C  32   2.410   2.800  22.118
   64    H5     C  32           H5         C  32   3.872   4.690  22.701
   65    H6     C  32           H6         C  32   3.944   6.994  23.254
   66   1H2*    C  32          1H2*        C  32   0.996   8.056  25.374
   67   1H5*    U  33          1H5*        U  33   0.883   8.733  28.490
   68   2H5*    U  33          2H5*        U  33   1.645   8.694  30.096
   69    H4*    U  33           H4*        U  33   0.003   6.851  29.828
   70    H3*    U  33           H3*        U  33   2.905   5.927  29.938
   71   2HO*    U  33          2HO*        U  33  -0.281   3.482  30.402
   72    H1*    U  33           H1*        U  33  -0.142   4.324  28.302
   73    H3     U  33           H3         U  33   2.279   0.971  26.305
   74    H5     U  33           H5         U  33   4.598   4.430  25.741
   75    H6     U  33           H6         U  33   3.147   5.599  27.200
   76   1H2*    U  33          1H2*        U  33   1.999   3.727  30.050
   77    HN3  U8U  34           HN3      U8U  34  -5.097   0.263  33.243
   78    H6   U8U  34           H6       U8U  34  -1.424   3.268  32.567
   79   1HC   U8U  34          1HC       U8U  34  -4.751   4.772  32.204
   80   2HC   U8U  34          2HC       U8U  34  -3.063   5.150  32.551
   81   1HN   U8U  34          1HN       U8U  34  -4.031   3.867  30.095
   82   1HA   U8U  34          1HA       U8U  34  -3.433   5.852  28.928
   83   2HA   U8U  34          2HA       U8U  34  -4.751   6.129  30.083
   84   3HA   U8U  34          3HA       U8U  34  -3.091   6.619  30.495
   85    H1*  U8U  34           H1*      U8U  34  -0.650   0.132  34.405
   86    H2*  U8U  34           H2*      U8U  34  -0.509   0.376  31.484
   87   2HO*  U8U  34          2HO*      U8U  34   1.157  -1.330  32.119
   88    H3*  U8U  34           H3*      U8U  34   1.241   1.894  31.533
   89    H4*  U8U  34           H4*      U8U  34   1.908   0.985  34.347
   90   1H5*  U8U  34          1H5*      U8U  34   2.317   3.380  34.743
   91   2H5*  U8U  34          2H5*      U8U  34   3.353   2.763  33.433
   92   2HN   U8U  34          2HN       U8U  34  -2.478   4.295  30.415
   93   1H5*    U  35          1H5*        U  35   1.409  -2.824  31.057
   94   2H5*    U  35          2H5*        U  35   1.973  -2.744  29.377
   95    H4*    U  35           H4*        U  35  -0.216  -3.966  29.667
   96    H3*    U  35           H3*        U  35  -0.155  -1.453  27.963
   97   2HO*    U  35          2HO*        U  35  -1.738  -4.632  28.404
   98    H1*    U  35           H1*        U  35  -2.870  -3.354  29.823
   99    H3     U  35           H3         U  35  -6.381  -0.359  29.612
  100    H5     U  35           H5         U  35  -2.971   2.080  29.332
  101    H6     U  35           H6         U  35  -1.624   0.105  29.306
  102   1H2*    U  35          1H2*        U  35  -2.360  -2.075  27.296
  103   1H5*    U  36          1H5*        U  36  -1.439  -4.778  25.322
  104   2H5*    U  36          2H5*        U  36  -0.809  -4.428  23.701
  105    H4*    U  36           H4*        U  36  -3.332  -4.693  23.815
  106    H3*    U  36           H3*        U  36  -2.186  -2.022  22.930
  107   2HO*    U  36          2HO*        U  36  -5.089  -4.172  22.863
  108    H1*    U  36           H1*        U  36  -5.521  -2.764  24.608
  109    H3     U  36           H3         U  36  -6.537   1.708  25.080
  110    H5     U  36           H5         U  36  -2.389   1.533  25.715
  111    H6     U  36           H6         U  36  -2.435  -0.766  25.119
  112   1H2*    U  36          1H2*        U  36  -4.455  -1.433  22.371
  113   1H5*  T6A  37          1H5*      T6A  37  -4.395  -2.952  18.200
  114   2H5*  T6A  37          2H5*      T6A  37  -4.980  -3.592  19.754
  115    H4*  T6A  37           H4*      T6A  37  -6.815  -2.329  18.884
  116    H3*  T6A  37           H3*      T6A  37  -4.694  -0.292  18.182
  117    H2*  T6A  37           H2*      T6A  37  -6.204   1.458  18.627
  118   *HO2  T6A  37          *HO2      T6A  37  -8.509   1.053  18.625
  119    H1*  T6A  37           H1*      T6A  37  -7.774   0.071  20.557
  120    H8   T6A  37           H8       T6A  37  -3.965   0.510  20.810
  121    H2   T6A  37           H2       T6A  37  -9.208   4.047  22.333
  122    HN6  T6A  37           HN6      T6A  37  -3.898   4.696  23.171
  123    HN1  T6A  37           HN1      T6A  37  -7.114   6.233  23.690
  124    H12  T6A  37           H12      T6A  37  -5.839   8.775  24.121
  125    H14  T6A  37           H14      T6A  37  -8.089   9.265  25.399
  126    HO4  T6A  37           HO4      T6A  37  -8.491   7.069  25.797
  127   1H15  T6A  37          1H15      T6A  37  -9.378   9.285  23.258
  128   2H15  T6A  37          2H15      T6A  37  -7.758   9.974  23.041
  129   3H15  T6A  37          3H15      T6A  37  -8.103   8.313  22.494
  130   1H5*    A  38          1H5*        A  38  -8.471   1.076  15.813
  131   2H5*    A  38          2H5*        A  38  -7.641   1.872  14.467
  132    H4*    A  38           H4*        A  38  -9.202   3.330  15.952
  133    H3*    A  38           H3*        A  38  -6.325   4.107  15.372
  134   2HO*    A  38          2HO*        A  38  -9.147   6.536  17.018
  135    H1*    A  38           H1*        A  38  -8.260   5.064  18.484
  136    H8     A  38           H8         A  38  -5.035   3.234  17.377
  137   1H6     A  38          1H6         A  38  -2.008   7.256  20.960
  138   2H6     A  38          2H6         A  38  -1.874   5.796  20.005
  139    H2     A  38           H2         A  38  -6.286   8.530  20.742
  140   1H2*    A  38          1H2*        A  38  -6.938   6.241  16.387
  141    HN1  PSU  39           HN1      PSU  39  -2.131   5.294  15.154
  142    HN3  PSU  39           HN3      PSU  39  -0.358   7.940  17.753
  143    H6   PSU  39           H6       PSU  39  -4.049   6.771  14.930
  144    H1*  PSU  39           H1*      PSU  39  -4.636   9.745  17.034
  145    H2*  PSU  39           H2*      PSU  39  -3.219   9.923  14.584
  146   *HO2  PSU  39          *HO2      PSU  39  -3.940  11.646  15.991
  147    H3*  PSU  39           H3*      PSU  39  -4.819   8.714  13.290
  148    H4*  PSU  39           H4*      PSU  39  -7.009   9.807  15.069
  149   1H5*  PSU  39          1H5*      PSU  39  -8.079   7.689  14.643
  150   2H5*  PSU  39          2H5*      PSU  39  -7.528   8.300  13.066
  151   1H5*    C  40          1H5*        C  40  -3.747  13.115  13.620
  152   2H5*    C  40          2H5*        C  40  -3.144  13.382  11.974
  153    H4*    C  40           H4*        C  40  -1.445  13.822  13.845
  154    H3*    C  40           H3*        C  40  -0.875  11.792  11.660
  155   2HO*    C  40          2HO*        C  40   1.891  13.347  14.199
  156    H1*    C  40           H1*        C  40   0.467  11.939  15.212
  157   1H4     C  40          1H4         C  40   0.572   5.526  13.320
  158   2H4     C  40          2H4         C  40   2.055   5.796  14.207
  159    H5     C  40           H5         C  40  -0.978   7.346  12.740
  160    H6     C  40           H6         C  40  -1.404   9.677  12.941
  161   1H2*    C  40          1H2*        C  40   1.386  11.793  12.557
  162   1H5*    U  41          1H5*        U  41   2.447  14.656  11.624
  163   2H5*    U  41          2H5*        U  41   2.823  14.974   9.918
  164    H4*    U  41           H4*        U  41   4.810  14.174  11.223
  165    H3*    U  41           H3*        U  41   3.800  12.324   9.025
  166   2HO*    U  41          2HO*        U  41   7.396  12.027  10.882
  167    H1*    U  41           H1*        U  41   5.674  11.391  12.178
  168    H3     U  41           H3         U  41   5.202   6.922  11.187
  169    H5     U  41           H5         U  41   1.518   8.624  10.097
  170    H6     U  41           H6         U  41   2.437  10.767  10.488
  171   1H2*    U  41          1H2*        U  41   5.865  11.116   9.406
  172   1H5*    G  42          1H5*        G  42   8.034  13.140   8.225
  173   2H5*    G  42          2H5*        G  42   8.210  13.244   6.461
  174    H4*    G  42           H4*        G  42   9.708  11.526   7.505
  175    H3*    G  42           H3*        G  42   7.544  10.485   5.635
  176   2HO*    G  42          2HO*        G  42  10.865   9.499   5.786
  177    H1*    G  42           H1*        G  42   9.085   8.571   8.506
  178    H8     G  42           H8         G  42   5.677   9.850   7.221
  179    H1     G  42           H1         G  42   5.961   3.534   8.240
  180   1H2     G  42          1H2         G  42   9.364   4.069   8.749
  181   2H2     G  42          2H2         G  42   8.046   2.921   8.695
  182   1H2*    G  42          1H2*        G  42   8.756   8.382   5.769
  183   1H5*    A  43          1H5*        A  43  11.347   8.950   3.869
  184   2H5*    A  43          2H5*        A  43  11.090   9.096   2.120
  185    H4*    A  43           H4*        A  43  11.657   6.767   2.819
  186    H3*    A  43           H3*        A  43   8.862   7.184   1.683
  187   2HO*    A  43          2HO*        A  43  10.675   3.592   2.188
  188    H1*    A  43           H1*        A  43   9.902   4.489   4.143
  189    H8     A  43           H8         A  43   7.467   7.460   3.788
  190   1H6     A  43          1H6         A  43   3.008   3.422   5.245
  191   2H6     A  43          2H6         A  43   3.381   5.105   4.952
  192    H2     A  43           H2         A  43   6.835   1.164   4.749
  193    H3T    A  43           H3T        A  43  11.360   6.313   0.598
  194   1H2*    A  43          1H2*        A  43   8.761   4.772   1.639
  Start of MODEL   19
    1   1H5*    U  27          1H5*        U  27   1.223  -7.246   4.924
    2   2H5*    U  27          2H5*        U  27   1.376  -7.629   6.654
    3    H4*    U  27           H4*        U  27   3.338  -6.343   5.798
    4    H3*    U  27           H3*        U  27   1.574  -4.836   7.767
    5   2HO*    U  27          2HO*        U  27   4.914  -5.188   6.550
    6    H1*    U  27           H1*        U  27   4.012  -3.791   5.040
    7    H3     U  27           H3         U  27   3.192   0.750   4.952
    8    H5     U  27           H5         U  27  -0.517  -0.922   6.002
    9    H6     U  27           H6         U  27   0.532  -3.063   6.110
   10    H5*    U  27           H5*        U  27  -0.095  -5.472   5.534
   11   1H2*    U  27          1H2*        U  27   3.265  -3.187   7.747
   12   1H5*    C  28          1H5*        C  28   5.974  -5.924   8.942
   13   2H5*    C  28          2H5*        C  28   6.069  -5.927  10.714
   14    H4*    C  28           H4*        C  28   7.923  -4.620   9.566
   15    H3*    C  28           H3*        C  28   6.027  -3.124  11.410
   16   2HO*    C  28          2HO*        C  28   9.577  -1.708  10.025
   17    H1*    C  28           H1*        C  28   8.002  -1.815   8.446
   18   1H4     C  28          1H4         C  28   2.600   2.060   9.259
   19   2H4     C  28          2H4         C  28   3.922   3.144   8.888
   20    H5     C  28           H5         C  28   2.923  -0.349   9.637
   21    H6     C  28           H6         C  28   4.511  -2.120   9.662
   22   1H2*    C  28          1H2*        C  28   7.611  -1.290  11.174
   23   1H5*    A  29          1H5*        A  29  10.212  -2.543  12.794
   24   2H5*    A  29          2H5*        A  29  10.174  -2.421  14.563
   25    H4*    A  29           H4*        A  29  11.246  -0.443  13.397
   26    H3*    A  29           H3*        A  29   8.742   0.038  15.054
   27   2HO*    A  29          2HO*        A  29  11.678   1.762  14.889
   28    H1*    A  29           H1*        A  29   9.866   2.113  12.092
   29    H8     A  29           H8         A  29   6.870  -0.016  13.233
   30   1H6     A  29          1H6         A  29   3.442   5.039  12.259
   31   2H6     A  29          2H6         A  29   3.408   3.330  12.628
   32    H2     A  29           H2         A  29   7.746   6.171  11.848
   33   1H2*    A  29          1H2*        A  29   9.286   2.399  14.776
   34   1H5*    G  30          1H5*        G  30  11.762   2.831  16.626
   35   2H5*    G  30          2H5*        G  30  11.518   2.879  18.382
   36    H4*    G  30           H4*        G  30  11.348   5.130  17.266
   37    H3*    G  30           H3*        G  30   8.852   4.051  18.624
   38   2HO*    G  30          2HO*        G  30   9.400   7.886  17.394
   39    H1*    G  30           H1*        G  30   8.913   6.465  15.708
   40    H8     G  30           H8         G  30   7.599   2.968  16.603
   41    H1     G  30           H1         G  30   3.057   7.159  14.928
   42   1H2     G  30          1H2         G  30   5.609   9.523  15.052
   43   2H2     G  30          2H2         G  30   3.914   9.200  14.766
   44   1H2*    G  30          1H2*        G  30   7.978   6.302  18.300
   45   1H5*    A  31          1H5*        A  31   9.837   8.015  20.314
   46   2H5*    A  31          2H5*        A  31   9.518   7.937  22.057
   47    H4*    A  31           H4*        A  31   8.331   9.830  20.873
   48    H3*    A  31           H3*        A  31   6.645   7.687  22.220
   49   2HO*    A  31          2HO*        A  31   6.196  11.114  22.307
   50    H1*    A  31           H1*        A  31   5.591   9.799  19.255
   51    H8     A  31           H8         A  31   6.149   6.099  20.042
   52   1H6     A  31          1H6         A  31   0.169   5.283  18.693
   53   2H6     A  31          2H6         A  31   1.683   4.485  19.054
   54    H2     A  31           H2         A  31   0.992   9.678  18.785
   55   1H2*    A  31          1H2*        A  31   4.793   9.221  21.838
   56   1H5*    C  32          1H5*        C  32   4.883  10.945  23.881
   57   2H5*    C  32          2H5*        C  32   4.829  10.735  25.640
   58    H4*    C  32           H4*        C  32   2.564  11.080  24.683
   59    H3*    C  32           H3*        C  32   3.051   8.278  25.792
   60   2HO*    C  32          2HO*        C  32   0.542  10.702  24.907
   61    H1*    C  32           H1*        C  32   0.689   9.348  23.001
   62   1H4     C  32          1H4         C  32   0.643   3.075  21.672
   63   2H4     C  32          2H4         C  32   2.392   3.050  21.685
   64    H5     C  32           H5         C  32   3.743   4.982  22.385
   65    H6     C  32           H6         C  32   3.681   7.229  23.134
   66   1H2*    C  32          1H2*        C  32   0.742   7.899  25.413
   67   1H5*    U  33          1H5*        U  33   0.610   8.385  28.628
   68   2H5*    U  33          2H5*        U  33   1.418   8.297  30.210
   69    H4*    U  33           H4*        U  33   0.005   6.292  29.794
   70    H3*    U  33           H3*        U  33   3.001   5.729  29.757
   71   2HO*    U  33          2HO*        U  33  -0.200   4.303  30.414
   72    H1*    U  33           H1*        U  33  -0.001   3.995  28.159
   73    H3     U  33           H3         U  33   2.314   0.915  25.646
   74    H5     U  33           H5         U  33   4.500   4.478  25.214
   75    H6     U  33           H6         U  33   3.141   5.470  26.882
   76   1H2*    U  33          1H2*        U  33   2.408   3.454  29.614
   77    HN3  U8U  34           HN3      U8U  34  -4.107  -1.072  32.885
   78    H6   U8U  34           H6       U8U  34  -0.822   2.386  32.414
   79   1HC   U8U  34          1HC       U8U  34  -4.300   3.555  32.516
   80   2HC   U8U  34          2HC       U8U  34  -2.644   4.043  32.887
   81   1HN   U8U  34          1HN       U8U  34  -3.581   3.115  30.266
   82   1HA   U8U  34          1HA       U8U  34  -3.222   5.320  29.456
   83   2HA   U8U  34          2HA       U8U  34  -4.507   5.264  30.678
   84   3HA   U8U  34          3HA       U8U  34  -2.881   5.835  31.122
   85    H1*  U8U  34           H1*      U8U  34   0.424  -0.887  33.659
   86    H2*  U8U  34           H2*      U8U  34   0.258  -0.180  30.811
   87   2HO*  U8U  34          2HO*      U8U  34   1.971  -1.859  32.405
   88    H3*  U8U  34           H3*      U8U  34   1.890   1.435  30.935
   89    H4*  U8U  34           H4*      U8U  34   2.881   0.270  33.549
   90   1H5*  U8U  34          1H5*      U8U  34   3.056   2.631  34.223
   91   2H5*  U8U  34          2H5*      U8U  34   4.016   2.321  32.756
   92   2HN   U8U  34          2HN       U8U  34  -2.064   3.632  30.621
   93   1H5*    U  35          1H5*        U  35   2.430  -3.063  29.761
   94   2H5*    U  35          2H5*        U  35   2.823  -2.704  28.069
   95    H4*    U  35           H4*        U  35   0.780  -4.145  28.333
   96    H3*    U  35           H3*        U  35   0.423  -1.399  27.086
   97   2HO*    U  35          2HO*        U  35  -0.788  -4.765  27.100
   98    H1*    U  35           H1*        U  35  -1.844  -3.896  28.833
   99    H3     U  35           H3         U  35  -5.672  -1.410  29.561
  100    H5     U  35           H5         U  35  -2.647   1.490  29.248
  101    H6     U  35           H6         U  35  -1.094  -0.263  28.754
  102   1H2*    U  35          1H2*        U  35  -1.775  -2.144  26.542
  103   1H5*    U  36          1H5*        U  36  -0.769  -4.504  24.064
  104   2H5*    U  36          2H5*        U  36  -0.358  -3.844  22.470
  105    H4*    U  36           H4*        U  36  -2.800  -4.503  22.740
  106    H3*    U  36           H3*        U  36  -2.135  -1.593  22.170
  107   2HO*    U  36          2HO*        U  36  -5.822  -3.273  21.852
  108    H1*    U  36           H1*        U  36  -5.150  -3.031  23.971
  109    H3     U  36           H3         U  36  -6.712   1.174  25.012
  110    H5     U  36           H5         U  36  -2.545   1.494  25.428
  111    H6     U  36           H6         U  36  -2.327  -0.695  24.534
  112   1H2*    U  36          1H2*        U  36  -4.531  -1.353  21.816
  113   1H5*  T6A  37          1H5*      T6A  37  -4.501  -2.204  17.535
  114   2H5*  T6A  37          2H5*      T6A  37  -4.940  -3.018  19.055
  115    H4*  T6A  37           H4*      T6A  37  -6.916  -1.849  18.375
  116    H3*  T6A  37           H3*      T6A  37  -5.022   0.448  17.821
  117    H2*  T6A  37           H2*      T6A  37  -6.770   1.966  18.404
  118   *HO2  T6A  37          *HO2      T6A  37  -8.552  -0.281  18.110
  119    H1*  T6A  37           H1*      T6A  37  -7.980   0.318  20.344
  120    H8   T6A  37           H8       T6A  37  -4.212   0.891  20.520
  121    H2   T6A  37           H2       T6A  37  -9.501   4.344  22.079
  122    HN6  T6A  37           HN6      T6A  37  -4.200   5.039  22.943
  123    HN1  T6A  37           HN1      T6A  37  -7.433   6.538  23.468
  124    H12  T6A  37           H12      T6A  37  -6.180   9.084  23.955
  125    H14  T6A  37           H14      T6A  37  -8.447   9.532  25.220
  126    HO4  T6A  37           HO4      T6A  37  -9.992   7.949  24.686
  127   1H15  T6A  37          1H15      T6A  37  -8.097  10.301  22.889
  128   2H15  T6A  37          2H15      T6A  37  -8.403   8.649  22.293
  129   3H15  T6A  37          3H15      T6A  37  -9.709   9.580  23.057
  130   1H5*    A  38          1H5*        A  38  -8.808   1.795  15.774
  131   2H5*    A  38          2H5*        A  38  -8.111   2.621  14.369
  132    H4*    A  38           H4*        A  38  -9.549   4.077  15.908
  133    H3*    A  38           H3*        A  38  -6.656   4.806  15.340
  134   2HO*    A  38          2HO*        A  38  -9.406   6.909  15.401
  135    H1*    A  38           H1*        A  38  -8.590   5.734  18.461
  136    H8     A  38           H8         A  38  -5.419   3.801  17.452
  137   1H6     A  38          1H6         A  38  -2.318   7.777  21.026
  138   2H6     A  38          2H6         A  38  -2.217   6.296  20.101
  139    H2     A  38           H2         A  38  -6.535   9.216  20.673
  140   1H2*    A  38          1H2*        A  38  -7.221   6.932  16.395
  141    HN1  PSU  39           HN1      PSU  39  -2.520   5.716  15.332
  142    HN3  PSU  39           HN3      PSU  39  -0.648   8.278  17.945
  143    H6   PSU  39           H6       PSU  39  -4.328   7.313  15.032
  144    H1*  PSU  39           H1*      PSU  39  -4.770  10.353  17.078
  145    H2*  PSU  39           H2*      PSU  39  -3.284  10.397  14.664
  146   *HO2  PSU  39          *HO2      PSU  39  -3.937  12.190  16.016
  147    H3*  PSU  39           H3*      PSU  39  -4.920   9.254  13.357
  148    H4*  PSU  39           H4*      PSU  39  -7.081  10.533  15.049
  149   1H5*  PSU  39          1H5*      PSU  39  -8.262   8.454  14.660
  150   2H5*  PSU  39          2H5*      PSU  39  -7.687   9.043  13.081
  151   1H5*    C  40          1H5*        C  40  -3.546  13.568  13.616
  152   2H5*    C  40          2H5*        C  40  -2.938  13.767  11.962
  153    H4*    C  40           H4*        C  40  -1.201  14.163  13.780
  154    H3*    C  40           H3*        C  40  -0.767  11.991  11.699
  155   2HO*    C  40          2HO*        C  40   2.104  13.513  14.134
  156    H1*    C  40           H1*        C  40   0.608  12.241  15.229
  157   1H4     C  40          1H4         C  40   0.306   5.750  13.646
  158   2H4     C  40          2H4         C  40   1.817   5.971  14.500
  159    H5     C  40           H5         C  40  -1.142   7.630  12.999
  160    H6     C  40           H6         C  40  -1.429   9.989  13.096
  161   1H2*    C  40          1H2*        C  40   1.493  11.908  12.580
  162   1H5*    U  41          1H5*        U  41   2.713  14.674  11.497
  163   2H5*    U  41          2H5*        U  41   3.053  14.911   9.770
  164    H4*    U  41           H4*        U  41   5.050  14.097  11.033
  165    H3*    U  41           H3*        U  41   3.898  12.169   8.975
  166   2HO*    U  41          2HO*        U  41   7.548  11.844  10.714
  167    H1*    U  41           H1*        U  41   5.855  11.342  12.107
  168    H3     U  41           H3         U  41   5.183   6.845  11.390
  169    H5     U  41           H5         U  41   1.524   8.625  10.342
  170    H6     U  41           H6         U  41   2.534  10.751  10.575
  171   1H2*    U  41          1H2*        U  41   5.929  10.910   9.349
  172   1H5*    G  42          1H5*        G  42   8.111  12.773   7.970
  173   2H5*    G  42          2H5*        G  42   8.221  12.777   6.198
  174    H4*    G  42           H4*        G  42   9.685  11.050   7.273
  175    H3*    G  42           H3*        G  42   7.401  10.007   5.552
  176   2HO*    G  42          2HO*        G  42  10.678   8.896   5.636
  177    H1*    G  42           H1*        G  42   8.977   8.187   8.464
  178    H8     G  42           H8         G  42   5.576   9.546   7.242
  179    H1     G  42           H1         G  42   5.619   3.301   8.652
  180   1H2     G  42          1H2         G  42   9.062   3.701   8.983
  181   2H2     G  42          2H2         G  42   7.691   2.616   9.057
  182   1H2*    G  42          1H2*        G  42   8.523   7.861   5.760
  183   1H5*    A  43          1H5*        A  43  11.125   8.242   3.748
  184   2H5*    A  43          2H5*        A  43  10.799   8.276   2.005
  185    H4*    A  43           H4*        A  43  11.355   5.988   2.843
  186    H3*    A  43           H3*        A  43   8.527   6.382   1.782
  187   2HO*    A  43          2HO*        A  43  10.537   3.606   1.097
  188    H1*    A  43           H1*        A  43   9.650   3.833   4.359
  189    H8     A  43           H8         A  43   7.177   6.764   3.910
  190   1H6     A  43          1H6         A  43   2.803   2.796   5.763
  191   2H6     A  43          2H6         A  43   3.152   4.460   5.353
  192    H2     A  43           H2         A  43   6.638   0.542   5.312
  193    H3T    A  43           H3T        A  43  10.305   6.802   0.336
  194   1H2*    A  43          1H2*        A  43   8.393   3.974   1.893
  Start of MODEL   20
    1   1H5*    U  27          1H5*        U  27   2.984  -7.068   2.539
    2   2H5*    U  27          2H5*        U  27   3.106  -7.715   4.190
    3    H4*    U  27           H4*        U  27   4.935  -6.097   3.674
    4    H3*    U  27           H3*        U  27   2.920  -5.141   5.745
    5   2HO*    U  27          2HO*        U  27   6.328  -4.906   4.669
    6    H1*    U  27           H1*        U  27   5.319  -3.376   3.382
    7    H3     U  27           H3         U  27   3.901   0.977   3.969
    8    H5     U  27           H5         U  27   0.425  -1.302   4.587
    9    H6     U  27           H6         U  27   1.746  -3.282   4.393
   10    H5*    U  27           H5*        U  27   1.437  -5.580   3.340
   11   1H2*    U  27          1H2*        U  27   4.420  -3.341   6.105
   12   1H5*    C  28          1H5*        C  28   7.306  -5.712   7.212
   13   2H5*    C  28          2H5*        C  28   7.229  -5.997   8.962
   14    H4*    C  28           H4*        C  28   8.838  -4.149   8.248
   15    H3*    C  28           H3*        C  28   6.511  -3.475  10.078
   16   2HO*    C  28          2HO*        C  28   9.789  -2.463   8.987
   17    H1*    C  28           H1*        C  28   8.421  -1.283   7.617
   18   1H4     C  28          1H4         C  28   2.256   1.321   8.143
   19   2H4     C  28          2H4         C  28   3.347   2.679   7.991
   20    H5     C  28           H5         C  28   3.044  -1.000   8.350
   21    H6     C  28           H6         C  28   4.965  -2.410   8.389
   22   1H2*    C  28          1H2*        C  28   7.535  -1.309  10.303
   23   1H5*    A  29          1H5*        A  29  10.572  -2.485  11.911
   24   2H5*    A  29          2H5*        A  29  10.399  -2.548  13.675
   25    H4*    A  29           H4*        A  29  11.286  -0.342  12.743
   26    H3*    A  29           H3*        A  29   8.705  -0.371  14.337
   27   2HO*    A  29          2HO*        A  29  11.410   1.686  13.032
   28    H1*    A  29           H1*        A  29   9.609   2.138  11.644
   29    H8     A  29           H8         A  29   6.873  -0.437  12.582
   30   1H6     A  29          1H6         A  29   2.868   4.197  11.708
   31   2H6     A  29          2H6         A  29   3.036   2.481  12.006
   32    H2     A  29           H2         A  29   7.011   5.859  11.454
   33   1H2*    A  29          1H2*        A  29   8.889   2.055  14.312
   34   1H5*    G  30          1H5*        G  30  11.632   2.479  16.145
   35   2H5*    G  30          2H5*        G  30  11.347   2.514  17.894
   36    H4*    G  30           H4*        G  30  11.182   4.775  16.717
   37    H3*    G  30           H3*        G  30   8.777   3.680  18.210
   38   2HO*    G  30          2HO*        G  30   9.220   7.516  16.924
   39    H1*    G  30           H1*        G  30   8.654   6.072  15.281
   40    H8     G  30           H8         G  30   7.387   2.586  16.282
   41    H1     G  30           H1         G  30   2.753   6.803  14.958
   42   1H2     G  30          1H2         G  30   5.319   9.155  14.898
   43   2H2     G  30          2H2         G  30   3.604   8.843  14.750
   44   1H2*    G  30          1H2*        G  30   7.863   5.930  17.924
   45   1H5*    A  31          1H5*        A  31   9.798   7.672  19.816
   46   2H5*    A  31          2H5*        A  31   9.578   7.604  21.575
   47    H4*    A  31           H4*        A  31   8.305   9.474  20.440
   48    H3*    A  31           H3*        A  31   6.752   7.331  21.931
   49   2HO*    A  31          2HO*        A  31   6.654  10.692  20.568
   50    H1*    A  31           H1*        A  31   5.476   9.395  19.000
   51    H8     A  31           H8         A  31   6.124   5.702  19.753
   52   1H6     A  31          1H6         A  31   0.099   4.804  18.683
   53   2H6     A  31          2H6         A  31   1.640   4.026  18.970
   54    H2     A  31           H2         A  31   0.862   9.209  18.754
   55   1H2*    A  31          1H2*        A  31   4.830   8.768  21.622
   56   1H5*    C  32          1H5*        C  32   5.172  10.771  23.613
   57   2H5*    C  32          2H5*        C  32   5.188  10.603  25.377
   58    H4*    C  32           H4*        C  32   2.892  11.042  24.498
   59    H3*    C  32           H3*        C  32   3.299   8.272  25.711
   60   2HO*    C  32          2HO*        C  32   0.457  10.221  26.180
   61    H1*    C  32           H1*        C  32   0.862   9.273  22.978
   62   1H4     C  32          1H4         C  32   0.609   2.911  22.201
   63   2H4     C  32          2H4         C  32   2.357   2.833  22.176
   64    H5     C  32           H5         C  32   3.780   4.775  22.674
   65    H6     C  32           H6         C  32   3.802   7.083  23.222
   66   1H2*    C  32          1H2*        C  32   0.925   8.055  25.495
   67   1H5*    U  33          1H5*        U  33   0.999   8.641  28.633
   68   2H5*    U  33          2H5*        U  33   1.872   8.583  30.181
   69    H4*    U  33           H4*        U  33   0.330   6.653  29.940
   70    H3*    U  33           H3*        U  33   3.285   5.913  29.803
   71   2HO*    U  33          2HO*        U  33   0.022   4.699  30.607
   72    H1*    U  33           H1*        U  33   0.183   4.221  28.351
   73    H3     U  33           H3         U  33   2.408   1.159  25.735
   74    H5     U  33           H5         U  33   4.739   4.645  25.458
   75    H6     U  33           H6         U  33   3.389   5.637  27.134
   76   1H2*    U  33          1H2*        U  33   2.563   3.666  29.811
   77    HN3  U8U  34           HN3      U8U  34  -4.146  -0.231  33.537
   78    H6   U8U  34           H6       U8U  34  -0.647   2.948  32.747
   79   1HC   U8U  34          1HC       U8U  34  -4.028   4.369  32.895
   80   2HC   U8U  34          2HC       U8U  34  -2.328   4.757  33.179
   81   1HN   U8U  34          1HN       U8U  34  -3.433   3.750  30.653
   82   1HA   U8U  34          1HA       U8U  34  -2.944   5.871  29.699
   83   2HA   U8U  34          2HA       U8U  34  -4.185   5.978  30.963
   84   3HA   U8U  34          3HA       U8U  34  -2.508   6.455  31.320
   85    H1*  U8U  34           H1*      U8U  34   0.416  -0.335  34.135
   86    H2*  U8U  34           H2*      U8U  34   0.189   0.238  31.264
   87   2HO*  U8U  34          2HO*      U8U  34   0.446  -1.844  32.301
   88    H3*  U8U  34           H3*      U8U  34   1.905   1.769  31.251
   89    H4*  U8U  34           H4*      U8U  34   2.940   0.654  33.872
   90   1H5*  U8U  34          1H5*      U8U  34   3.284   3.031  34.433
   91   2H5*  U8U  34          2H5*      U8U  34   4.174   2.586  32.956
   92   2HN   U8U  34          2HN       U8U  34  -1.869   4.171  30.922
   93   1H5*    U  35          1H5*        U  35   2.122  -2.803  30.258
   94   2H5*    U  35          2H5*        U  35   2.480  -2.531  28.542
   95    H4*    U  35           H4*        U  35   0.382  -3.835  28.876
   96    H3*    U  35           H3*        U  35   0.060  -1.073  27.651
   97   2HO*    U  35          2HO*        U  35  -2.649  -4.067  27.334
   98    H1*    U  35           H1*        U  35  -2.183  -3.510  29.479
   99    H3     U  35           H3         U  35  -5.949  -0.951  30.256
  100    H5     U  35           H5         U  35  -2.871   1.887  29.893
  101    H6     U  35           H6         U  35  -1.365   0.107  29.364
  102   1H2*    U  35          1H2*        U  35  -2.160  -1.808  27.154
  103   1H5*    U  36          1H5*        U  36  -1.236  -4.161  24.690
  104   2H5*    U  36          2H5*        U  36  -0.857  -3.532  23.075
  105    H4*    U  36           H4*        U  36  -3.291  -4.173  23.402
  106    H3*    U  36           H3*        U  36  -2.637  -1.269  22.792
  107   2HO*    U  36          2HO*        U  36  -6.329  -2.951  22.564
  108    H1*    U  36           H1*        U  36  -5.616  -2.676  24.668
  109    H3     U  36           H3         U  36  -7.128   1.553  25.680
  110    H5     U  36           H5         U  36  -2.953   1.837  26.044
  111    H6     U  36           H6         U  36  -2.767  -0.358  25.160
  112   1H2*    U  36          1H2*        U  36  -5.038  -1.033  22.478
  113   1H5*  T6A  37          1H5*      T6A  37  -5.057  -2.041  18.188
  114   2H5*  T6A  37          2H5*      T6A  37  -5.485  -2.803  19.737
  115    H4*  T6A  37           H4*      T6A  37  -7.478  -1.697  18.995
  116    H3*  T6A  37           H3*      T6A  37  -5.629   0.627  18.398
  117    H2*  T6A  37           H2*      T6A  37  -7.448   2.109  18.892
  118   *HO2  T6A  37          *HO2      T6A  37  -9.623   1.256  19.002
  119    H1*  T6A  37           H1*      T6A  37  -8.605   0.509  20.892
  120    H8   T6A  37           H8       T6A  37  -4.858   1.124  21.121
  121    H2   T6A  37           H2       T6A  37 -10.187   4.661  22.310
  122    HN6  T6A  37           HN6      T6A  37  -4.917   5.392  23.319
  123    HN1  T6A  37           HN1      T6A  37  -8.159   6.930  23.641
  124    H12  T6A  37           H12      T6A  37  -6.907   9.492  24.055
  125    H14  T6A  37           H14      T6A  37  -9.224  10.009  25.200
  126    HO4  T6A  37           HO4      T6A  37 -10.755   8.414  24.660
  127   1H15  T6A  37          1H15      T6A  37 -10.382   9.963  22.974
  128   2H15  T6A  37          2H15      T6A  37  -8.765  10.683  22.864
  129   3H15  T6A  37          3H15      T6A  37  -9.034   9.009  22.316
  130   1H5*    A  38          1H5*        A  38  -9.310   1.914  16.302
  131   2H5*    A  38          2H5*        A  38  -8.613   2.674  14.859
  132    H4*    A  38           H4*        A  38 -10.011   4.220  16.326
  133    H3*    A  38           H3*        A  38  -7.095   4.853  15.774
  134   2HO*    A  38          2HO*        A  38 -10.297   6.183  16.862
  135    H1*    A  38           H1*        A  38  -9.058   5.926  18.846
  136    H8     A  38           H8         A  38  -5.933   3.847  18.011
  137   1H6     A  38          1H6         A  38  -2.785   7.863  21.502
  138   2H6     A  38          2H6         A  38  -2.715   6.338  20.648
  139    H2     A  38           H2         A  38  -6.933   9.439  20.956
  140   1H2*    A  38          1H2*        A  38  -7.566   7.003  16.790
  141    HN1  PSU  39           HN1      PSU  39  -2.890   5.526  15.654
  142    HN3  PSU  39           HN3      PSU  39  -0.886   8.047  18.209
  143    H6   PSU  39           H6       PSU  39  -4.632   7.194  15.346
  144    H1*  PSU  39           H1*      PSU  39  -4.927  10.279  17.348
  145    H2*  PSU  39           H2*      PSU  39  -3.469  10.221  14.911
  146   *HO2  PSU  39          *HO2      PSU  39  -4.007  12.058  16.255
  147    H3*  PSU  39           H3*      PSU  39  -5.175   9.154  13.639
  148    H4*  PSU  39           H4*      PSU  39  -7.255  10.531  15.352
  149   1H5*  PSU  39          1H5*      PSU  39  -8.526   8.502  14.985
  150   2H5*  PSU  39          2H5*      PSU  39  -7.931   9.042  13.397
  151   1H5*    C  40          1H5*        C  40  -3.664  13.463  13.866
  152   2H5*    C  40          2H5*        C  40  -3.052  13.620  12.209
  153    H4*    C  40           H4*        C  40  -1.316  13.995  14.036
  154    H3*    C  40           H3*        C  40  -0.942  11.833  11.938
  155   2HO*    C  40          2HO*        C  40   0.734  13.990  14.295
  156    H1*    C  40           H1*        C  40   0.475  12.034  15.459
  157   1H4     C  40          1H4         C  40  -0.020   5.539  13.922
  158   2H4     C  40          2H4         C  40   1.489   5.719  14.788
  159    H5     C  40           H5         C  40  -1.403   7.459  13.248
  160    H6     C  40           H6         C  40  -1.619   9.827  13.331
  161   1H2*    C  40          1H2*        C  40   1.301  11.631  12.793
  162   1H5*    U  41          1H5*        U  41   2.596  14.485  11.715
  163   2H5*    U  41          2H5*        U  41   2.960  14.683   9.988
  164    H4*    U  41           H4*        U  41   4.919  13.828  11.315
  165    H3*    U  41           H3*        U  41   3.760  11.948   9.221
  166   2HO*    U  41          2HO*        U  41   7.353  11.493  11.046
  167    H1*    U  41           H1*        U  41   5.620  11.076  12.405
  168    H3     U  41           H3         U  41   4.834   6.584  11.804
  169    H5     U  41           H5         U  41   1.275   8.433  10.550
  170    H6     U  41           H6         U  41   2.339  10.535  10.761
  171   1H2*    U  41          1H2*        U  41   5.732  10.613   9.647
  172   1H5*    G  42          1H5*        G  42   8.128  12.644   8.431
  173   2H5*    G  42          2H5*        G  42   8.293  12.685   6.665
  174    H4*    G  42           H4*        G  42   9.838  11.046   7.764
  175    H3*    G  42           H3*        G  42   7.708   9.916   5.915
  176   2HO*    G  42          2HO*        G  42  10.881   9.289   7.574
  177    H1*    G  42           H1*        G  42   9.301   8.108   8.842
  178    H8     G  42           H8         G  42   5.859   9.250   7.512
  179    H1     G  42           H1         G  42   6.287   2.996   8.830
  180   1H2     G  42          1H2         G  42   9.678   3.632   9.302
  181   2H2     G  42          2H2         G  42   8.387   2.451   9.300
  182   1H2*    G  42          1H2*        G  42   8.912   7.832   6.114
  183   1H5*    A  43          1H5*        A  43  11.636   8.502   4.488
  184   2H5*    A  43          2H5*        A  43  11.572   8.555   2.716
  185    H4*    A  43           H4*        A  43  12.217   6.302   3.604
  186    H3*    A  43           H3*        A  43   9.571   6.471   2.107
  187   2HO*    A  43          2HO*        A  43  11.911   3.895   1.739
  188    H1*    A  43           H1*        A  43  10.455   3.957   4.803
  189    H8     A  43           H8         A  43   7.897   6.740   4.065
  190   1H6     A  43          1H6         A  43   3.556   2.415   4.928
  191   2H6     A  43          2H6         A  43   3.856   4.120   4.674
  192    H2     A  43           H2         A  43   7.556   0.417   4.996
  193    H3T    A  43           H3T        A  43  12.241   5.741   1.387
  194   1H2*    A  43          1H2*        A  43   9.640   4.057   2.163