HEADER    DEOXYRIBONUCLEIC ACID                   14-JAN-99   442D
TITLE     5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE
TITLE    2 DERIVATIVE COMPLEX
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-
COMPND   3 3');
COMPND   4 CHAIN: A, B;
COMPND   5 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 SYNTHETIC: YES
KEYWDS    B-DNA, MINOR GROOVE BINDING
EXPDTA    X-RAY DIFFRACTION
AUTHOR    G.R.CLARK,C.J.SQUIRE,R.F.MARTIN,J.WHITE
REVDAT   3   27-NOV-00 442D    5
REVDAT   2   06-MAR-00 442D    1       JRNL
REVDAT   1   02-FEB-00 442D    0
JRNL        AUTH   C.J.SQUIRE,L.J.BAKER,G.R.CLARK,R.F.MARTIN,J.WHITE
JRNL        TITL   STRUCTURES OF M-IODO HOECHST-DNA COMPLEXES IN
JRNL        TITL 2 CRYSTALS WITH REDUCED SOLVENT CONTENT:
JRNL        TITL 3 IMPLICATIONS FOR MINOR GOOVE BINDER DRUG DESIGN
JRNL        REF    NUCLEIC ACIDS RES.            V.  28  1252 2000
JRNL        REFN   ASTM NARHAD  UK ISSN 0305-1048
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   G.R.CLARK,C.J.SQUIRE,L.J.BAKER,R.F.MARTIN,J.WHITE
REMARK   1  TITL   INTERMOLECULAR INTERACTIONS AND WATER STRUCTURE IN
REMARK   1  TITL 2 A CONDENSED PHASE B-DNA CRYSTAL
REMARK   1  REF    NUCLEIC ACIDS RES.            V.  28  1259 2000
REMARK   1  REFN   ASTM NARHAD  UK ISSN 0305-1048
REMARK   2
REMARK   2 RESOLUTION. 1.6 ANGSTROMS.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : SHELXL-97
REMARK   3   AUTHORS     : G.M.SHELDRICK
REMARK   3
REMARK   3  DATA USED IN REFINEMENT.
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 8.00
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 4.000
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM
REMARK   3
REMARK   3  FIT TO DATA USED IN REFINEMENT (NO CUTOFF).
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : 0.149
REMARK   3   FREE R VALUE                  (NO CUTOFF) : NULL
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : NULL
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : 12649
REMARK   3
REMARK   3  FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).
REMARK   3   R VALUE   (WORKING + TEST SET, F>4SIG(F)) : NULL
REMARK   3   R VALUE          (WORKING SET, F>4SIG(F)) : 0.149
REMARK   3   FREE R VALUE                  (F>4SIG(F)) : 0.167
REMARK   3   FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 10.000
REMARK   3   FREE R VALUE TEST SET COUNT   (F>4SIG(F)) : 1016
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (F>4SIG(F)) : 10031
REMARK   3
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK   3   PROTEIN ATOMS      : 0
REMARK   3   NUCLEIC ACID ATOMS : 486
REMARK   3   HETEROGEN ATOMS    : 43
REMARK   3   SOLVENT ATOMS      : 42
REMARK   3
REMARK   3  MODEL REFINEMENT.
REMARK   3   OCCUPANCY SUM OF NON-HYDROGEN ATOMS      : NULL
REMARK   3   OCCUPANCY SUM OF HYDROGEN ATOMS          : NULL
REMARK   3   NUMBER OF DISCRETELY DISORDERED RESIDUES : NULL
REMARK   3   NUMBER OF LEAST-SQUARES PARAMETERS       : NULL
REMARK   3   NUMBER OF RESTRAINTS                     : NULL
REMARK   3
REMARK   3  RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.
REMARK   3   BOND LENGTHS                         (A) : 0.007
REMARK   3   ANGLE DISTANCES                      (A) : 0.017
REMARK   3   SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL
REMARK   3   DISTANCES FROM RESTRAINT PLANES      (A) : NULL
REMARK   3   ZERO CHIRAL VOLUMES               (A**3) : NULL
REMARK   3   NON-ZERO CHIRAL VOLUMES           (A**3) : NULL
REMARK   3   ANTI-BUMPING DISTANCE RESTRAINTS     (A) : NULL
REMARK   3   RIGID-BOND ADP COMPONENTS         (A**2) : NULL
REMARK   3   SIMILAR ADP COMPONENTS            (A**2) : NULL
REMARK   3   APPROXIMATELY ISOTROPIC ADPS      (A**2) : NULL
REMARK   3
REMARK   3  BULK SOLVENT MODELING.
REMARK   3   METHOD USED: NULL
REMARK   3
REMARK   3  STEREOCHEMISTRY TARGET VALUES : NULL
REMARK   3   SPECIAL CASE: NULL
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: NULL
REMARK   4
REMARK   4 442D COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY THE NUCLEIC ACID DATABASE
REMARK 100 ON 15-JAN-1999.
REMARK 100 THE NDB ID CODE IS DD0003.
REMARK 105
REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS
REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY
REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS.  THE RING
REMARK 105 OXYGEN ATOM IS LABELLED O4* INSTEAD OF O1*.
REMARK 106
REMARK 106 ALL HYDROGEN BONDS BETWEEN BASE PAIRS NOT MENTIONED IN
REMARK 106 REMARKS 102 AND 103 FOLLOW THE CONVENTIONAL WATSON-CRICK
REMARK 106 HYDROGEN BONDING PATTERN. THEY HAVE NOT BEEN PRESENTED ON
REMARK 106 *CONECT* RECORDS IN THIS ENTRY.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : 27-SEP-1997
REMARK 200  TEMPERATURE           (KELVIN) : 293.0
REMARK 200  PH                             : 7.00
REMARK 200  NUMBER OF CRYSTALS USED        : 1
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : N
REMARK 200  RADIATION SOURCE               : SEALED TUBE
REMARK 200  BEAMLINE                       : NULL
REMARK 200  X-RAY GENERATOR MODEL          : SIEMENS
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.71073
REMARK 200  MONOCHROMATOR                  : GRAPHITE
REMARK 200  OPTICS                         : NULL
REMARK 200
REMARK 200  DETECTOR TYPE                  : CCD
REMARK 200  DETECTOR MANUFACTURER          : SIEMENS SMART
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : SAINT
REMARK 200  DATA SCALING SOFTWARE          : SAINT & SADABS
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10398
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.600
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.5
REMARK 200  DATA REDUNDANCY                : 5.040
REMARK 200  R MERGE                    (I) : 0.07600
REMARK 200  R SYM                      (I) : NULL
REMARK 200   FOR THE DATA SET  : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.66
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL
REMARK 200  R MERGE FOR SHELL          (I) : 0.25200
REMARK 200  R SYM FOR SHELL            (I) : NULL
REMARK 200   FOR SHELL         : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS   (%): NULL
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: MGCL2, SPERMINE, MPD,
REMARK 280  METHANOL, SODIUM CACODYLATE
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290      SYMOP   SYMMETRY
REMARK 290     NNNMMM   OPERATOR
REMARK 290       1555   X,Y,Z
REMARK 290       2555   1/2-X,-Y,1/2+Z
REMARK 290       3555   -X,1/2+Y,1/2-Z
REMARK 290       4555   1/2+X,1/2-Y,-Z
REMARK 290
REMARK 290     WHERE NNN -> OPERATOR NUMBER
REMARK 290           MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       12.28000
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       30.57500
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       16.92500
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       30.57500
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       12.28000
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       16.92500
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
REMARK 300 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
REMARK 350
REMARK 350 GENERATING THE BIOMOLECULE
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
SEQRES   1 A   12    C   G   C   G   A   A   T   T   C   G   C   G
SEQRES   1 B   12    C   G   C   G   A   A   T   T   C   G   C   G
HET     IB     25      34
HET    MO4     26       5
HET    MO3     27       4
HETNAM      IB 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)
HETNAM   2  IB  -2,5'-BI-BENZIMIDAZOLE
HETNAM     MO4 MAGNESIUM ION, 4 WATERS COORDINATED
HETNAM     MO3 MAGNESIUM ION, 3 WATERS COORDINATED
FORMUL   3   IB    C26 H26 N6 O1 I1 1+
FORMUL   4  MO4    H8 O4 MG1 2+
FORMUL   5  MO3    H6 O3 MG1 2+
FORMUL   6  HOH   *42(H2 O1)
CRYST1   24.560   33.850   61.150  90.00  90.00  90.00 P 21 21 21    8
ORIGX1      1.000000  0.000000  0.000000        0.00000
ORIGX2      0.000000  1.000000  0.000000        0.00000
ORIGX3      0.000000  0.000000  1.000000        0.00000
SCALE1      0.040717  0.000000  0.000000        0.00000
SCALE2      0.000000  0.029542  0.000000        0.00000
SCALE3      0.000000  0.000000  0.016353        0.00000
ATOM      1  O5*   C A   1       3.446  15.995   6.911  1.00 30.11           O
ATOM      2  C5*   C A   1       4.116  14.746   7.052  1.00 20.27           C
ATOM      3  C4*   C A   1       2.927  13.754   7.311  1.00 16.59           C
ATOM      4  O4*   C A   1       3.183  12.500   6.629  1.00 16.13           O
ATOM      5  C3*   C A   1       2.681  13.405   8.735  1.00 14.69           C
ATOM      6  O3*   C A   1       1.283  13.162   8.914  1.00 13.83           O
ATOM      7  C2*   C A   1       3.492  12.171   8.957  1.00 12.88           C
ATOM      8  C1*   C A   1       3.427  11.474   7.619  1.00 13.29           C
ATOM      9  N1    C A   1       4.629  10.830   7.078  1.00 10.51           N
ATOM     10  C2    C A   1       4.464   9.669   6.320  1.00 14.89           C
ATOM     11  O2    C A   1       3.310   9.214   6.132  1.00 10.26           O
ATOM     12  N3    C A   1       5.561   9.058   5.806  1.00  8.39           N
ATOM     13  C4    C A   1       6.779   9.547   6.014  1.00  9.19           C
ATOM     14  N4    C A   1       7.819   8.899   5.481  1.00 11.68           N
ATOM     15  C5    C A   1       6.973  10.738   6.785  1.00 12.51           C
ATOM     16  C6    C A   1       5.883  11.342   7.291  1.00 13.14           C
ATOM     17  P     G A   2       0.598  12.884  10.333  1.00 16.95           P
ATOM     18  O1P   G A   2      -0.795  13.196  10.139  1.00 22.72           O
ATOM     19  O2P   G A   2       1.485  13.433  11.331  1.00 15.87           O
ATOM     20  O5*   G A   2       0.682  11.226  10.522  1.00 15.98           O
ATOM     21  C5*   G A   2      -0.162  10.378   9.728  1.00 12.58           C
ATOM     22  C4*   G A   2       0.318   8.962  10.197  1.00 14.30           C
ATOM     23  O4*   G A   2       1.618   8.695   9.591  1.00 13.07           O
ATOM     24  C3*   G A   2       0.473   8.787  11.659  1.00 12.76           C
ATOM     25  O3*   G A   2      -0.092   7.527  12.040  1.00 12.71           O
ATOM     26  C2*   G A   2       1.954   8.806  11.908  1.00 11.13           C
ATOM     27  C1*   G A   2       2.438   8.147  10.614  1.00  9.26           C
ATOM     28  N9    G A   2       3.863   8.388  10.294  1.00  7.26           N
ATOM     29  C8    G A   2       4.653   9.436  10.680  1.00  9.39           C
ATOM     30  N7    G A   2       5.871   9.331  10.219  1.00  9.92           N
ATOM     31  C5    G A   2       5.888   8.163   9.495  1.00  5.46           C
ATOM     32  C6    G A   2       6.932   7.538   8.770  1.00  8.48           C
ATOM     33  O6    G A   2       8.094   7.930   8.631  1.00  9.17           O
ATOM     34  N1    G A   2       6.517   6.352   8.178  1.00  7.78           N
ATOM     35  C2    G A   2       5.237   5.838   8.279  1.00  9.13           C
ATOM     36  N2    G A   2       5.025   4.686   7.641  1.00  7.55           N
ATOM     37  N3    G A   2       4.254   6.416   8.955  1.00  6.39           N
ATOM     38  C4    G A   2       4.647   7.562   9.531  1.00  6.44           C
ATOM     39  P     C A   3      -0.491   7.206  13.545  1.00 15.71           P
ATOM     40  O1P   C A   3      -1.779   7.765  13.792  1.00 20.48           O
ATOM     41  O2P   C A   3       0.688   7.410  14.355  1.00 19.94           O
ATOM     42  O5*   C A   3      -0.643   5.620  13.138  1.00 17.72           O
ATOM     43  C5*   C A   3       0.132   4.719  13.920  1.00 25.81           C
ATOM     44  C4*   C A   3       0.841   3.881  12.795  1.00 17.57           C
ATOM     45  O4*   C A   3       1.744   4.742  12.072  1.00 14.23           O
ATOM     46  C3*   C A   3       1.633   2.732  13.281  1.00 17.33           C
ATOM     47  O3*   C A   3       0.812   1.575  13.059  1.00 14.33           O
ATOM     48  C2*   C A   3       2.868   2.682  12.464  1.00 17.61           C
ATOM     49  C1*   C A   3       2.913   3.995  11.733  1.00 12.42           C
ATOM     50  N1    C A   3       3.997   4.933  12.091  1.00 12.11           N
ATOM     51  C2    C A   3       5.250   4.594  11.554  1.00 13.15           C
ATOM     52  O2    C A   3       5.231   3.559  10.874  1.00 13.46           O
ATOM     53  N3    C A   3       6.328   5.364  11.796  1.00  9.33           N
ATOM     54  C4    C A   3       6.214   6.462  12.549  1.00 12.56           C
ATOM     55  N4    C A   3       7.298   7.209  12.775  1.00 12.47           N
ATOM     56  C5    C A   3       4.959   6.828  13.101  1.00 12.42           C
ATOM     57  C6    C A   3       3.894   6.048  12.849  1.00 12.70           C
ATOM     58  P     G A   4       0.649   0.459  14.185  1.00 15.94           P
ATOM     59  O1P   G A   4      -0.486  -0.331  13.794  1.00 22.28           O
ATOM     60  O2P   G A   4       0.994   1.044  15.439  1.00 17.04           O
ATOM     61  O5*   G A   4       1.975  -0.537  13.831  1.00 16.22           O
ATOM     62  C5*   G A   4       2.007  -1.078  12.516  1.00 12.05           C
ATOM     63  C4*   G A   4       3.378  -1.822  12.429  1.00 10.00           C
ATOM     64  O4*   G A   4       4.466  -0.855  12.443  1.00 11.22           O
ATOM     65  C3*   G A   4       3.714  -2.766  13.532  1.00 14.49           C
ATOM     66  O3*   G A   4       4.542  -3.800  12.981  1.00 10.34           O
ATOM     67  C2*   G A   4       4.434  -1.936  14.549  1.00 10.55           C
ATOM     68  C1*   G A   4       5.235  -1.015  13.660  1.00 12.57           C
ATOM     69  N9    G A   4       5.471   0.376  14.101  1.00 10.08           N
ATOM     70  C8    G A   4       4.630   1.195  14.813  1.00  9.37           C
ATOM     71  N7    G A   4       5.121   2.377  15.051  1.00  8.57           N
ATOM     72  C5    G A   4       6.379   2.357  14.463  1.00  7.22           C
ATOM     73  C6    G A   4       7.401   3.335  14.378  1.00  9.85           C
ATOM     74  O6    G A   4       7.399   4.494  14.837  1.00 10.47           O
ATOM     75  N1    G A   4       8.519   2.883  13.685  1.00  8.55           N
ATOM     76  C2    G A   4       8.625   1.625  13.138  1.00 10.37           C
ATOM     77  N2    G A   4       9.761   1.327  12.497  1.00  8.80           N
ATOM     78  N3    G A   4       7.683   0.702  13.210  1.00  6.90           N
ATOM     79  C4    G A   4       6.601   1.129  13.876  1.00  7.45           C
ATOM     80  P     A A   5       5.117  -5.059  13.741  1.00 12.12           P
ATOM     81  O1P   A A   5       5.232  -6.126  12.798  1.00 13.38           O
ATOM     82  O2P   A A   5       4.465  -5.175  15.045  1.00 10.28           O
ATOM     83  O5*   A A   5       6.681  -4.598  14.143  1.00 14.26           O
ATOM     84  C5*   A A   5       7.616  -4.685  13.077  1.00 15.40           C
ATOM     85  C4*   A A   5       8.981  -4.214  13.667  1.00 10.83           C
ATOM     86  O4*   A A   5       8.853  -2.801  14.033  1.00 11.55           O
ATOM     87  C3*   A A   5       9.504  -4.895  14.889  1.00  7.11           C
ATOM     88  O3*   A A   5      10.852  -5.266  14.591  1.00  9.67           O
ATOM     89  C2*   A A   5       9.465  -3.916  16.008  1.00  6.26           C
ATOM     90  C1*   A A   5       9.552  -2.598  15.258  1.00  9.04           C
ATOM     91  N9    A A   5       8.925  -1.449  15.934  1.00  7.49           N
ATOM     92  C8    A A   5       7.694  -1.433  16.542  1.00  8.39           C
ATOM     93  N7    A A   5       7.384  -0.269  17.068  1.00  5.80           N
ATOM     94  C5    A A   5       8.474   0.540  16.793  1.00  5.21           C
ATOM     95  C6    A A   5       8.779   1.884  17.076  1.00 10.68           C
ATOM     96  N6    A A   5       7.982   2.729  17.737  1.00  8.83           N
ATOM     97  N1    A A   5       9.972   2.369  16.646  1.00  6.40           N
ATOM     98  C2    A A   5      10.791   1.545  15.980  1.00  5.93           C
ATOM     99  N3    A A   5      10.620   0.270  15.654  1.00  5.22           N
ATOM    100  C4    A A   5       9.429  -0.176  16.095  1.00  7.26           C
ATOM    101  P     A A   6      12.055  -5.860  15.459  1.00 10.04           P
ATOM    102  O1P   A A   6      12.758  -6.766  14.562  1.00 11.67           O
ATOM    103  O2P   A A   6      11.544  -6.185  16.752  1.00 10.43           O
ATOM    104  O5*   A A   6      13.121  -4.593  15.692  1.00 10.18           O
ATOM    105  C5*   A A   6      13.724  -3.996  14.543  1.00  9.65           C
ATOM    106  C4*   A A   6      14.696  -2.926  15.148  1.00  8.80           C
ATOM    107  O4*   A A   6      13.927  -1.832  15.737  1.00  6.20           O
ATOM    108  C3*   A A   6      15.614  -3.412  16.215  1.00 12.04           C
ATOM    109  O3*   A A   6      16.902  -2.866  15.912  1.00 11.69           O
ATOM    110  C2*   A A   6      15.077  -2.896  17.504  1.00  7.99           C
ATOM    111  C1*   A A   6      14.370  -1.629  17.091  1.00  8.12           C
ATOM    112  N9    A A   6      13.135  -1.266  17.814  1.00  6.83           N
ATOM    113  C8    A A   6      12.097  -2.151  18.044  1.00  6.58           C
ATOM    114  N7    A A   6      11.095  -1.636  18.700  1.00  7.60           N
ATOM    115  C5    A A   6      11.478  -0.325  18.925  1.00  6.03           C
ATOM    116  C6    A A   6      10.844   0.744  19.571  1.00  4.34           C
ATOM    117  N6    A A   6       9.630   0.674  20.147  1.00  7.29           N
ATOM    118  N1    A A   6      11.514   1.903  19.608  1.00  6.37           N
ATOM    119  C2    A A   6      12.727   2.018  19.049  1.00  7.05           C
ATOM    120  N3    A A   6      13.424   1.064  18.405  1.00  7.79           N
ATOM    121  C4    A A   6      12.728  -0.084  18.386  1.00  7.02           C
ATOM    122  P     T A   7      18.297  -3.190  16.667  1.00 10.55           P
ATOM    123  O1P   T A   7      19.309  -2.834  15.696  1.00 11.51           O
ATOM    124  O2P   T A   7      18.093  -4.441  17.320  1.00 11.98           O
ATOM    125  O5*   T A   7      18.206  -1.955  17.774  1.00  9.77           O
ATOM    126  C5*   T A   7      18.234  -0.611  17.284  1.00  9.32           C
ATOM    127  C4*   T A   7      18.145   0.289  18.564  1.00  3.74           C
ATOM    128  O4*   T A   7      16.813   0.133  19.134  1.00  8.21           O
ATOM    129  C3*   T A   7      19.087   0.011  19.683  1.00  9.21           C
ATOM    130  O3*   T A   7      19.988   1.129  19.769  1.00 12.25           O
ATOM    131  C2*   T A   7      18.263  -0.129  20.928  1.00  7.31           C
ATOM    132  C1*   T A   7      16.951   0.508  20.540  1.00  8.83           C
ATOM    133  N1    T A   7      15.646   0.077  21.075  1.00  6.35           N
ATOM    134  C2    T A   7      14.825   0.998  21.691  1.00  9.07           C
ATOM    135  O2    T A   7      15.175   2.163  21.791  1.00 10.16           O
ATOM    136  N3    T A   7      13.633   0.513  22.158  1.00 10.78           N
ATOM    137  C4    T A   7      13.173  -0.803  22.073  1.00  7.86           C
ATOM    138  O4    T A   7      12.078  -1.108  22.537  1.00 11.90           O
ATOM    139  C5    T A   7      14.084  -1.710  21.420  1.00 10.00           C
ATOM    140  C5M   T A   7      13.727  -3.159  21.259  1.00  8.45           C
ATOM    141  C6    T A   7      15.253  -1.237  20.960  1.00  6.60           C
ATOM    142  P     T A   8      21.222   1.312  20.775  1.00 12.42           P
ATOM    143  O1P   T A   8      22.014   2.421  20.261  1.00 15.42           O
ATOM    144  O2P   T A   8      21.756  -0.023  20.962  1.00 10.73           O
ATOM    145  O5*   T A   8      20.654   1.846  22.232  1.00 10.11           O
ATOM    146  C5*   T A   8      20.138   3.183  22.193  1.00 11.35           C
ATOM    147  C4*   T A   8      19.481   3.245  23.610  1.00  9.79           C
ATOM    148  O4*   T A   8      18.283   2.433  23.653  1.00 11.09           O
ATOM    149  C3*   T A   8      20.336   2.741  24.721  1.00 12.88           C
ATOM    150  O3*   T A   8      20.864   3.885  25.395  1.00 15.28           O
ATOM    151  C2*   T A   8      19.455   1.944  25.622  1.00 14.11           C
ATOM    152  C1*   T A   8      18.073   2.199  25.077  1.00 14.60           C
ATOM    153  N1    T A   8      17.043   1.145  25.069  1.00 12.35           N
ATOM    154  C2    T A   8      15.797   1.439  25.563  1.00 14.97           C
ATOM    155  O2    T A   8      15.502   2.544  26.011  1.00 15.72           O
ATOM    156  N3    T A   8      14.874   0.422  25.530  1.00 10.47           N
ATOM    157  C4    T A   8      15.123  -0.852  25.037  1.00  8.87           C
ATOM    158  O4    T A   8      14.197  -1.649  25.077  1.00  9.60           O
ATOM    159  C5    T A   8      16.451  -1.091  24.538  1.00 10.76           C
ATOM    160  C5M   T A   8      16.763  -2.460  23.996  1.00 11.39           C
ATOM    161  C6    T A   8      17.376  -0.105  24.558  1.00  5.81           C
ATOM    162  P     C A   9      21.781   3.864  26.701  1.00 20.45           P
ATOM    163  O1P   C A   9      22.238   5.233  26.825  1.00 31.02           O
ATOM    164  O2P   C A   9      22.632   2.711  26.614  1.00 24.38           O
ATOM    165  O5*   C A   9      20.872   3.604  28.097  1.00 15.01           O
ATOM    166  C5*   C A   9      19.852   4.574  28.345  1.00 12.01           C
ATOM    167  C4*   C A   9      19.087   3.976  29.578  1.00  9.17           C
ATOM    168  O4*   C A   9      18.203   2.920  29.077  1.00 15.59           O
ATOM    169  C3*   C A   9      19.886   3.358  30.658  1.00 12.26           C
ATOM    170  O3*   C A   9      19.390   3.796  31.926  1.00 12.19           O
ATOM    171  C2*   C A   9      19.686   1.874  30.542  1.00 10.41           C
ATOM    172  C1*   C A   9      18.233   1.864  30.015  1.00  9.88           C
ATOM    173  N1    C A   9      17.833   0.608  29.378  1.00 14.84           N
ATOM    174  C2    C A   9      16.498   0.211  29.438  1.00 12.95           C
ATOM    175  O2    C A   9      15.666   0.921  30.024  1.00  9.93           O
ATOM    176  N3    C A   9      16.117  -0.955  28.856  1.00 10.59           N
ATOM    177  C4    C A   9      17.023  -1.699  28.233  1.00 14.04           C
ATOM    178  N4    C A   9      16.597  -2.839  27.673  1.00 10.87           N
ATOM    179  C5    C A   9      18.397  -1.329  28.151  1.00 14.46           C
ATOM    180  C6    C A   9      18.762  -0.173  28.734  1.00 13.92           C
ATOM    181  P     G A  10      20.273   4.756  32.857  1.00 13.99           P
ATOM    182  O1P   G A  10      20.688   5.837  32.043  1.00 13.70           O
ATOM    183  O2P   G A  10      21.147   3.910  33.641  1.00 14.26           O
ATOM    184  O5*   G A  10      18.989   5.182  33.804  1.00 11.18           O
ATOM    185  C5*   G A  10      17.774   5.780  33.372  1.00 11.95           C
ATOM    186  C4*   G A  10      16.624   5.026  34.116  1.00 18.84           C
ATOM    187  O4*   G A  10      16.450   3.711  33.478  1.00 17.18           O
ATOM    188  C3*   G A  10      16.783   4.714  35.551  1.00 22.16           C
ATOM    189  O3*   G A  10      15.500   4.756  36.175  1.00 19.72           O
ATOM    190  C2*   G A  10      17.294   3.313  35.639  1.00 16.36           C
ATOM    191  C1*   G A  10      16.454   2.725  34.526  1.00 13.35           C
ATOM    192  N9    G A  10      16.948   1.500  33.885  1.00 14.86           N
ATOM    193  C8    G A  10      18.252   1.150  33.646  1.00 11.25           C
ATOM    194  N7    G A  10      18.356  -0.010  33.058  1.00 13.47           N
ATOM    195  C5    G A  10      17.037  -0.435  32.908  1.00 17.05           C
ATOM    196  C6    G A  10      16.500  -1.617  32.342  1.00 16.76           C
ATOM    197  O6    G A  10      17.140  -2.552  31.840  1.00 16.16           O
ATOM    198  N1    G A  10      15.098  -1.649  32.395  1.00  8.78           N
ATOM    199  C2    G A  10      14.323  -0.658  32.931  1.00  9.55           C
ATOM    200  N2    G A  10      12.988  -0.837  32.907  1.00  9.58           N
ATOM    201  N3    G A  10      14.805   0.458  33.468  1.00 11.76           N
ATOM    202  C4    G A  10      16.156   0.487  33.415  1.00 14.97           C
ATOM    203  P     C A  11      15.153   5.808  37.307  1.00 20.12           P
ATOM    204  O1P   C A  11      15.068   7.096  36.707  1.00 32.09           O
ATOM    205  O2P   C A  11      15.799   5.364  38.502  1.00 26.90           O
ATOM    206  O5*   C A  11      13.605   5.194  37.341  1.00 15.83           O
ATOM    207  C5*   C A  11      12.772   5.498  36.214  1.00 10.07           C
ATOM    208  C4*   C A  11      11.698   4.364  36.320  1.00 10.85           C
ATOM    209  O4*   C A  11      12.299   3.107  35.899  1.00 12.48           O
ATOM    210  C3*   C A  11      11.139   4.124  37.671  1.00  9.25           C
ATOM    211  O3*   C A  11       9.730   3.946  37.520  1.00 10.50           O
ATOM    212  C2*   C A  11      11.773   2.875  38.178  1.00 11.26           C
ATOM    213  C1*   C A  11      11.964   2.108  36.881  1.00 10.98           C
ATOM    214  N1    C A  11      13.063   1.163  36.793  1.00  7.62           N
ATOM    215  C2    C A  11      12.875  -0.126  36.293  1.00  8.59           C
ATOM    216  O2    C A  11      11.771  -0.535  35.896  1.00 10.75           O
ATOM    217  N3    C A  11      13.934  -0.961  36.234  1.00  7.16           N
ATOM    218  C4    C A  11      15.146  -0.571  36.646  1.00 10.37           C
ATOM    219  N4    C A  11      16.153  -1.438  36.565  1.00  6.61           N
ATOM    220  C5    C A  11      15.372   0.740  37.166  1.00  9.05           C
ATOM    221  C6    C A  11      14.317   1.552  37.216  1.00 13.98           C
ATOM    222  P     G A  12       8.700   3.585  38.660  1.00  9.74           P
ATOM    223  O1P   G A  12       7.443   4.220  38.301  1.00 11.80           O
ATOM    224  O2P   G A  12       9.287   3.708  39.968  1.00  8.57           O
ATOM    225  O5*   G A  12       8.484   1.962  38.389  1.00  8.34           O
ATOM    226  C5*   G A  12       7.786   1.547  37.216  1.00 10.04           C
ATOM    227  C4*   G A  12       7.078   0.226  37.652  1.00 14.32           C
ATOM    228  O4*   G A  12       8.014  -0.885  37.760  1.00 11.67           O
ATOM    229  C3*   G A  12       6.387   0.313  38.977  1.00 11.49           C
ATOM    230  O3*   G A  12       5.197  -0.487  38.876  1.00  9.76           O
ATOM    231  C2*   G A  12       7.399  -0.197  39.938  1.00  7.26           C
ATOM    232  C1*   G A  12       8.175  -1.212  39.151  1.00  7.66           C
ATOM    233  N9    G A  12       9.656  -1.239  39.282  1.00  7.54           N
ATOM    234  C8    G A  12      10.443  -0.137  39.560  1.00 11.62           C
ATOM    235  N7    G A  12      11.715  -0.415  39.625  1.00  6.49           N
ATOM    236  C5    G A  12      11.756  -1.784  39.372  1.00  4.37           C
ATOM    237  C6    G A  12      12.862  -2.663  39.310  1.00  8.13           C
ATOM    238  O6    G A  12      14.059  -2.372  39.474  1.00 10.28           O
ATOM    239  N1    G A  12      12.471  -3.963  39.033  1.00  7.18           N
ATOM    240  C2    G A  12      11.178  -4.393  38.833  1.00  8.42           C
ATOM    241  N2    G A  12      11.031  -5.703  38.576  1.00  7.73           N
ATOM    242  N3    G A  12      10.134  -3.580  38.889  1.00  6.28           N
ATOM    243  C4    G A  12      10.493  -2.304  39.159  1.00  4.09           C
TER     244        G A  12
ATOM    245  O5*   C B  13      18.571 -10.832  39.109  1.00 37.89           O
ATOM    246  C5*   C B  13      17.425 -11.501  39.628  1.00 16.99           C
ATOM    247  C4*   C B  13      16.075 -11.241  38.969  1.00 16.48           C
ATOM    248  O4*   C B  13      15.921  -9.835  39.271  1.00 14.08           O
ATOM    249  C3*   C B  13      16.087 -11.523  37.547  1.00 14.31           C
ATOM    250  O3*   C B  13      14.870 -12.264  37.417  1.00 13.79           O
ATOM    251  C2*   C B  13      15.958 -10.139  36.930  1.00 14.64           C
ATOM    252  C1*   C B  13      15.241  -9.363  38.023  1.00 13.26           C
ATOM    253  N1    C B  13      15.540  -7.921  38.076  1.00 10.94           N
ATOM    254  C2    C B  13      14.478  -7.017  38.196  1.00 10.64           C
ATOM    255  O2    C B  13      13.321  -7.454  38.237  1.00 11.29           O
ATOM    256  N3    C B  13      14.741  -5.694  38.268  1.00 11.80           N
ATOM    257  C4    C B  13      16.004  -5.261  38.220  1.00 11.54           C
ATOM    258  N4    C B  13      16.213  -3.944  38.302  1.00 10.58           N
ATOM    259  C5    C B  13      17.103  -6.160  38.088  1.00 10.48           C
ATOM    260  C6    C B  13      16.828  -7.467  38.020  1.00  9.56           C
ATOM    261  P     G B  14      14.583 -12.999  35.959  1.00 16.81           P
ATOM    262  O1P   G B  14      13.892 -14.198  36.359  1.00 19.84           O
ATOM    263  O2P   G B  14      15.736 -12.865  35.109  1.00 16.61           O
ATOM    264  O5*   G B  14      13.442 -11.979  35.311  1.00 12.37           O
ATOM    265  C5*   G B  14      12.254 -11.806  36.087  1.00 13.44           C
ATOM    266  C4*   G B  14      11.595 -10.593  35.335  1.00 11.13           C
ATOM    267  O4*   G B  14      12.373  -9.395  35.595  1.00 12.65           O
ATOM    268  C3*   G B  14      11.507 -10.703  33.856  1.00 12.35           C
ATOM    269  O3*   G B  14      10.106 -10.814  33.566  1.00 15.59           O
ATOM    270  C2*   G B  14      12.098  -9.465  33.283  1.00 10.85           C
ATOM    271  C1*   G B  14      12.167  -8.533  34.458  1.00  8.23           C
ATOM    272  N9    G B  14      13.276  -7.553  34.531  1.00 10.00           N
ATOM    273  C8    G B  14      14.596  -7.854  34.300  1.00  9.64           C
ATOM    274  N7    G B  14      15.377  -6.803  34.429  1.00  9.73           N
ATOM    275  C5    G B  14      14.507  -5.762  34.763  1.00  7.98           C
ATOM    276  C6    G B  14      14.770  -4.399  35.024  1.00 10.28           C
ATOM    277  O6    G B  14      15.858  -3.824  35.012  1.00 11.91           O
ATOM    278  N1    G B  14      13.620  -3.667  35.326  1.00  8.56           N
ATOM    279  C2    G B  14      12.355  -4.209  35.367  1.00  6.03           C
ATOM    280  N2    G B  14      11.370  -3.351  35.676  1.00  6.55           N
ATOM    281  N3    G B  14      12.104  -5.482  35.125  1.00  8.46           N
ATOM    282  C4    G B  14      13.207  -6.214  34.828  1.00  8.86           C
ATOM    283  P     C B  15       9.445 -10.892  32.118  1.00 17.83           P
ATOM    284  O1P   C B  15       8.094 -11.364  32.325  1.00 19.09           O
ATOM    285  O2P   C B  15      10.422 -11.404  31.208  1.00 13.84           O
ATOM    286  O5*   C B  15       9.288  -9.272  31.758  1.00 16.89           O
ATOM    287  C5*   C B  15       8.435  -8.539  32.635  1.00 12.25           C
ATOM    288  C4*   C B  15       8.760  -7.061  32.277  1.00 12.08           C
ATOM    289  O4*   C B  15      10.178  -6.772  32.522  1.00 11.80           O
ATOM    290  C3*   C B  15       8.589  -6.618  30.864  1.00 12.28           C
ATOM    291  O3*   C B  15       7.186  -6.400  30.636  1.00 20.51           O
ATOM    292  C2*   C B  15       9.399  -5.376  30.779  1.00 12.98           C
ATOM    293  C1*   C B  15      10.366  -5.460  31.948  1.00 15.40           C
ATOM    294  N1    C B  15      11.793  -5.401  31.659  1.00 11.33           N
ATOM    295  C2    C B  15      12.451  -4.181  31.822  1.00  8.00           C
ATOM    296  O2    C B  15      11.777  -3.210  32.211  1.00  9.61           O
ATOM    297  N3    C B  15      13.769  -4.097  31.563  1.00  7.58           N
ATOM    298  C4    C B  15      14.461  -5.155  31.147  1.00  9.42           C
ATOM    299  N4    C B  15      15.756  -4.983  30.912  1.00 12.90           N
ATOM    300  C5    C B  15      13.826  -6.416  30.963  1.00 13.42           C
ATOM    301  C6    C B  15      12.507  -6.494  31.227  1.00 16.44           C
ATOM    302  P     G B  16       6.524  -6.301  29.189  1.00 18.27           P
ATOM    303  O1P   G B  16       5.143  -6.706  29.299  1.00 21.01           O
ATOM    304  O2P   G B  16       7.459  -6.711  28.192  1.00 15.93           O
ATOM    305  O5*   G B  16       6.521  -4.646  29.257  1.00 14.02           O
ATOM    306  C5*   G B  16       5.746  -3.921  30.209  1.00 11.67           C
ATOM    307  C4*   G B  16       6.209  -2.444  29.952  1.00 15.77           C
ATOM    308  O4*   G B  16       7.661  -2.383  30.024  1.00 10.94           O
ATOM    309  C3*   G B  16       5.842  -1.863  28.641  1.00 16.15           C
ATOM    310  O3*   G B  16       5.617  -0.463  28.811  1.00 14.48           O
ATOM    311  C2*   G B  16       7.028  -2.090  27.768  1.00  9.17           C
ATOM    312  C1*   G B  16       8.152  -1.869  28.788  1.00 11.56           C
ATOM    313  N9    G B  16       9.432  -2.549  28.499  1.00  8.18           N
ATOM    314  C8    G B  16       9.606  -3.777  27.901  1.00  7.14           C
ATOM    315  N7    G B  16      10.845  -4.138  27.766  1.00  9.78           N
ATOM    316  C5    G B  16      11.550  -3.071  28.314  1.00  5.82           C
ATOM    317  C6    G B  16      12.942  -2.877  28.457  1.00  5.36           C
ATOM    318  O6    G B  16      13.852  -3.643  28.112  1.00 10.62           O
ATOM    319  N1    G B  16      13.232  -1.664  29.063  1.00  7.19           N
ATOM    320  C2    G B  16      12.299  -0.747  29.480  1.00 10.02           C
ATOM    321  N2    G B  16      12.792   0.376  30.048  1.00  7.58           N
ATOM    322  N3    G B  16      10.999  -0.919  29.352  1.00  6.45           N
ATOM    323  C4    G B  16      10.695  -2.090  28.767  1.00  2.86           C
ATOM    324  P     A B  17       4.437   0.245  28.034  1.00 16.50           P
ATOM    325  O1P   A B  17       3.247   0.012  28.802  1.00 22.35           O
ATOM    326  O2P   A B  17       4.612   0.015  26.624  1.00 19.16           O
ATOM    327  O5*   A B  17       5.015   1.760  28.358  1.00 13.15           O
ATOM    328  C5*   A B  17       5.032   2.180  29.728  1.00 14.34           C
ATOM    329  C4*   A B  17       6.068   3.359  29.679  1.00 14.22           C
ATOM    330  O4*   A B  17       7.384   2.765  29.504  1.00 14.61           O
ATOM    331  C3*   A B  17       5.869   4.356  28.605  1.00 21.04           C
ATOM    332  O3*   A B  17       6.190   5.664  29.084  1.00 14.12           O
ATOM    333  C2*   A B  17       6.835   3.996  27.529  1.00 19.79           C
ATOM    334  C1*   A B  17       7.938   3.317  28.300  1.00 26.11           C
ATOM    335  N9    A B  17       8.561   2.213  27.541  1.00 20.74           N
ATOM    336  C8    A B  17       7.844   1.275  26.841  1.00 15.53           C
ATOM    337  N7    A B  17       8.600   0.388  26.239  1.00  9.46           N
ATOM    338  C5    A B  17       9.892   0.773  26.566  1.00  9.56           C
ATOM    339  C6    A B  17      11.153   0.235  26.232  1.00 16.24           C
ATOM    340  N6    A B  17      11.276  -0.849  25.466  1.00 10.18           N
ATOM    341  N1    A B  17      12.255   0.834  26.703  1.00 13.87           N
ATOM    342  C2    A B  17      12.107   1.929  27.478  1.00 20.99           C
ATOM    343  N3    A B  17      10.969   2.521  27.854  1.00 11.89           N
ATOM    344  C4    A B  17       9.890   1.899  27.369  1.00 14.34           C
ATOM    345  P     A B  18       5.838   6.935  28.174  1.00 21.27           P
ATOM    346  O1P   A B  18       5.495   7.957  29.130  1.00 21.61           O
ATOM    347  O2P   A B  18       5.084   6.485  27.037  1.00 32.68           O
ATOM    348  O5*   A B  18       7.333   7.292  27.562  1.00 11.89           O
ATOM    349  C5*   A B  18       8.342   7.533  28.535  1.00 13.52           C
ATOM    350  C4*   A B  18       9.558   7.855  27.595  1.00  9.70           C
ATOM    351  O4*   A B  18      10.090   6.604  27.091  1.00 13.18           O
ATOM    352  C3*   A B  18       9.265   8.706  26.411  1.00 12.40           C
ATOM    353  O3*   A B  18      10.310   9.683  26.322  1.00 12.67           O
ATOM    354  C2*   A B  18       9.276   7.807  25.223  1.00 10.76           C
ATOM    355  C1*   A B  18      10.226   6.722  25.668  1.00  8.37           C
ATOM    356  N9    A B  18       9.933   5.409  25.081  1.00  8.54           N
ATOM    357  C8    A B  18       8.655   4.913  24.898  1.00 14.87           C
ATOM    358  N7    A B  18       8.629   3.719  24.355  1.00 12.18           N
ATOM    359  C5    A B  18       9.975   3.416  24.170  1.00  8.08           C
ATOM    360  C6    A B  18      10.631   2.299  23.638  1.00 12.55           C
ATOM    361  N6    A B  18      10.021   1.205  23.160  1.00 11.21           N
ATOM    362  N1    A B  18      11.969   2.357  23.615  1.00  9.80           N
ATOM    363  C2    A B  18      12.635   3.412  24.074  1.00 10.25           C
ATOM    364  N3    A B  18      12.130   4.526  24.601  1.00  6.08           N
ATOM    365  C4    A B  18      10.788   4.441  24.607  1.00  4.84           C
ATOM    366  P     T B  19      10.449  10.807  25.190  1.00 15.24           P
ATOM    367  O1P   T B  19      11.166  11.900  25.770  1.00 13.43           O
ATOM    368  O2P   T B  19       9.183  10.872  24.484  1.00 15.43           O
ATOM    369  O5*   T B  19      11.524  10.033  24.137  1.00 12.43           O
ATOM    370  C5*   T B  19      12.846   9.728  24.568  1.00  4.51           C
ATOM    371  C4*   T B  19      13.520   8.953  23.387  1.00  8.84           C
ATOM    372  O4*   T B  19      12.793   7.694  23.191  1.00  8.15           O
ATOM    373  C3*   T B  19      13.555   9.626  22.062  1.00  9.41           C
ATOM    374  O3*   T B  19      14.923   9.924  21.711  1.00  7.81           O
ATOM    375  C2*   T B  19      12.972   8.664  21.079  1.00  7.24           C
ATOM    376  C1*   T B  19      12.949   7.349  21.812  1.00  8.02           C
ATOM    377  N1    T B  19      11.834   6.405  21.552  1.00  6.83           N
ATOM    378  C2    T B  19      12.114   5.150  21.085  1.00  8.87           C
ATOM    379  O2    T B  19      13.256   4.762  20.874  1.00 10.15           O
ATOM    380  N3    T B  19      11.005   4.382  20.880  1.00  5.43           N
ATOM    381  C4    T B  19       9.686   4.720  21.086  1.00  9.44           C
ATOM    382  O4    T B  19       8.812   3.891  20.848  1.00  7.97           O
ATOM    383  C5    T B  19       9.453   6.059  21.576  1.00  9.90           C
ATOM    384  C5M   T B  19       8.055   6.553  21.837  1.00  7.87           C
ATOM    385  C6    T B  19      10.538   6.815  21.776  1.00  9.06           C
ATOM    386  P     T B  20      15.251  10.786  20.401  1.00  8.76           P
ATOM    387  O1P   T B  20      16.639  11.228  20.541  1.00 12.01           O
ATOM    388  O2P   T B  20      14.133  11.639  20.116  1.00  7.86           O
ATOM    389  O5*   T B  20      15.298   9.633  19.207  1.00  7.43           O
ATOM    390  C5*   T B  20      16.370   8.701  19.388  1.00  6.51           C
ATOM    391  C4*   T B  20      16.118   7.651  18.241  1.00 10.19           C
ATOM    392  O4*   T B  20      14.841   6.988  18.482  1.00  7.44           O
ATOM    393  C3*   T B  20      16.053   8.176  16.860  1.00 11.85           C
ATOM    394  O3*   T B  20      17.180   7.659  16.140  1.00  8.56           O
ATOM    395  C2*   T B  20      14.782   7.672  16.250  1.00  9.66           C
ATOM    396  C1*   T B  20      14.377   6.557  17.198  1.00  5.91           C
ATOM    397  N1    T B  20      12.940   6.288  17.388  1.00  5.87           N
ATOM    398  C2    T B  20      12.444   5.031  17.126  1.00  6.88           C
ATOM    399  O2    T B  20      13.170   4.125  16.742  1.00  9.46           O
ATOM    400  N3    T B  20      11.103   4.858  17.325  1.00  6.54           N
ATOM    401  C4    T B  20      10.207   5.822  17.755  1.00  8.31           C
ATOM    402  O4    T B  20       9.018   5.582  17.906  1.00  7.62           O
ATOM    403  C5    T B  20      10.802   7.107  18.004  1.00  5.39           C
ATOM    404  C5M   T B  20       9.914   8.231  18.479  1.00 10.24           C
ATOM    405  C6    T B  20      12.108   7.293  17.818  1.00  4.33           C
ATOM    406  P     C B  21      17.536   7.923  14.612  1.00  9.61           P
ATOM    407  O1P   C B  21      19.003   7.790  14.554  1.00  9.52           O
ATOM    408  O2P   C B  21      16.875   9.137  14.181  1.00  8.66           O
ATOM    409  O5*   C B  21      16.901   6.690  13.742  1.00  8.43           O
ATOM    410  C5*   C B  21      17.369   5.406  14.118  1.00  7.78           C
ATOM    411  C4*   C B  21      16.520   4.489  13.149  1.00  6.28           C
ATOM    412  O4*   C B  21      15.153   4.432  13.610  1.00  9.49           O
ATOM    413  C3*   C B  21      16.441   4.922  11.733  1.00  6.56           C
ATOM    414  O3*   C B  21      16.882   3.795  10.971  1.00 10.45           O
ATOM    415  C2*   C B  21      15.026   5.243  11.428  1.00  9.08           C
ATOM    416  C1*   C B  21      14.276   4.449  12.470  1.00  7.51           C
ATOM    417  N1    C B  21      13.039   4.990  13.024  1.00  6.95           N
ATOM    418  C2    C B  21      11.917   4.166  13.120  1.00  9.25           C
ATOM    419  O2    C B  21      12.008   2.992  12.728  1.00  9.46           O
ATOM    420  N3    C B  21      10.752   4.643  13.630  1.00 10.80           N
ATOM    421  C4    C B  21      10.701   5.917  14.040  1.00  7.64           C
ATOM    422  N4    C B  21       9.548   6.377  14.543  1.00  8.33           N
ATOM    423  C5    C B  21      11.838   6.782  13.953  1.00 10.99           C
ATOM    424  C6    C B  21      12.977   6.294  13.446  1.00  6.72           C
ATOM    425  P     G B  22      16.970   3.585   9.409  1.00 12.68           P
ATOM    426  O1P   G B  22      18.043   2.625   9.232  1.00 17.65           O
ATOM    427  O2P   G B  22      16.894   4.882   8.785  1.00 15.76           O
ATOM    428  O5*   G B  22      15.553   2.796   9.045  1.00 11.74           O
ATOM    429  C5*   G B  22      15.468   1.485   9.604  1.00 14.08           C
ATOM    430  C4*   G B  22      14.318   0.825   8.770  1.00 12.85           C
ATOM    431  O4*   G B  22      13.055   1.433   9.147  1.00 15.88           O
ATOM    432  C3*   G B  22      14.402   0.958   7.290  1.00  8.28           C
ATOM    433  O3*   G B  22      13.843  -0.235   6.739  1.00 13.39           O
ATOM    434  C2*   G B  22      13.600   2.167   6.960  1.00  6.37           C
ATOM    435  C1*   G B  22      12.525   2.162   8.026  1.00 12.48           C
ATOM    436  N9    G B  22      12.114   3.433   8.669  1.00  8.64           N
ATOM    437  C8    G B  22      12.811   4.601   8.787  1.00 10.50           C
ATOM    438  N7    G B  22      12.172   5.546   9.412  1.00  9.77           N
ATOM    439  C5    G B  22      10.944   4.963   9.741  1.00  8.69           C
ATOM    440  C6    G B  22       9.814   5.486  10.427  1.00 12.38           C
ATOM    441  O6    G B  22       9.643   6.620  10.914  1.00 11.96           O
ATOM    442  N1    G B  22       8.777   4.563  10.545  1.00  9.62           N
ATOM    443  C2    G B  22       8.836   3.272  10.050  1.00 10.99           C
ATOM    444  N2    G B  22       7.751   2.497  10.244  1.00  8.20           N
ATOM    445  N3    G B  22       9.882   2.783   9.413  1.00  9.46           N
ATOM    446  C4    G B  22      10.897   3.664   9.287  1.00 12.30           C
ATOM    447  P     C B  23      13.534  -0.620   5.225  1.00 11.64           P
ATOM    448  O1P   C B  23      13.664  -2.055   5.190  1.00 11.43           O
ATOM    449  O2P   C B  23      14.132   0.363   4.366  1.00 13.44           O
ATOM    450  O5*   C B  23      11.892  -0.319   5.197  1.00  8.34           O
ATOM    451  C5*   C B  23      11.116  -1.233   5.973  1.00  5.62           C
ATOM    452  C4*   C B  23       9.654  -0.711   5.758  1.00  6.27           C
ATOM    453  O4*   C B  23       9.546   0.609   6.390  1.00  8.84           O
ATOM    454  C3*   C B  23       9.197  -0.543   4.360  1.00 13.20           C
ATOM    455  O3*   C B  23       7.835  -0.970   4.244  1.00 11.58           O
ATOM    456  C2*   C B  23       9.297   0.930   4.088  1.00  7.37           C
ATOM    457  C1*   C B  23       8.835   1.429   5.447  1.00  6.60           C
ATOM    458  N1    C B  23       9.166   2.794   5.815  1.00  9.93           N
ATOM    459  C2    C B  23       8.217   3.529   6.534  1.00  8.59           C
ATOM    460  O2    C B  23       7.143   2.970   6.819  1.00  6.68           O
ATOM    461  N3    C B  23       8.508   4.803   6.882  1.00  7.78           N
ATOM    462  C4    C B  23       9.685   5.327   6.539  1.00 10.28           C
ATOM    463  N4    C B  23       9.951   6.586   6.895  1.00  8.32           N
ATOM    464  C5    C B  23      10.669   4.601   5.807  1.00  9.29           C
ATOM    465  C6    C B  23      10.368   3.346   5.467  1.00 13.11           C
ATOM    466  P     G B  24       7.381  -2.400   3.731  1.00 13.39           P
ATOM    467  O1P   G B  24       7.455  -3.290   4.861  1.00 12.63           O
ATOM    468  O2P   G B  24       7.963  -2.608   2.434  1.00 15.17           O
ATOM    469  O5*   G B  24       5.779  -2.058   3.523  1.00 12.47           O
ATOM    470  C5*   G B  24       5.353  -1.360   2.360  1.00  6.00           C
ATOM    471  C4*   G B  24       4.123  -0.539   2.873  1.00  8.12           C
ATOM    472  O4*   G B  24       4.515   0.316   3.979  1.00  8.86           O
ATOM    473  C3*   G B  24       3.500   0.378   1.888  1.00  9.57           C
ATOM    474  O3*   G B  24       2.581  -0.389   1.109  1.00  9.95           O
ATOM    475  C2*   G B  24       2.820   1.418   2.726  1.00  7.30           C
ATOM    476  C1*   G B  24       3.804   1.564   3.867  1.00  6.66           C
ATOM    477  N9    G B  24       4.915   2.549   3.761  1.00  9.27           N
ATOM    478  C8    G B  24       6.202   2.347   3.326  1.00  7.53           C
ATOM    479  N7    G B  24       6.918   3.448   3.368  1.00 10.21           N
ATOM    480  C5    G B  24       6.061   4.423   3.854  1.00  8.62           C
ATOM    481  C6    G B  24       6.262   5.799   4.116  1.00  9.98           C
ATOM    482  O6    G B  24       7.284   6.495   3.970  1.00 10.92           O
ATOM    483  N1    G B  24       5.106   6.386   4.602  1.00  8.22           N
ATOM    484  C2    G B  24       3.900   5.765   4.819  1.00  7.28           C
ATOM    485  N2    G B  24       2.919   6.542   5.297  1.00  7.32           N
ATOM    486  N3    G B  24       3.697   4.481   4.580  1.00  5.87           N
ATOM    487  C4    G B  24       4.810   3.883   4.106  1.00  7.88           C
TER     488        G B  24
HETATM  489  CYT  IB    25      14.559  -0.264  12.804  1.00 10.27           C
HETATM  490  C1   IB    25      15.845   1.429  14.929  1.00  7.72           C
HETATM  491  C2   IB    25      13.836   0.545  13.764  1.00  9.77           C
HETATM  492  C3   IB    25      14.465   1.371  14.795  1.00 10.55           C
HETATM  493  C4   IB    25      16.044  -0.097  13.066  1.00  6.34           C
HETATM  494  C5   IB    25      16.653   0.707  14.076  1.00 10.62           C
HETATM  495  O    IB    25      13.711  -1.015  11.842  1.00 18.11           O
HETATM  496  C6   IB    25      16.375   2.202  15.978  1.00  6.62           C
HETATM  497  C7   IB    25      16.491   3.232  17.886  1.00  5.39           C
HETATM  498  C8   IB    25      17.752   3.360  17.176  1.00  9.91           C
HETATM  499  C9   IB    25      18.881   4.137  17.716  1.00  9.51           C
HETATM  500  C10  IB    25      18.622   4.764  19.022  1.00 10.14           C
HETATM  501  C11  IB    25      17.340   4.608  19.698  1.00  7.33           C
HETATM  502  C12  IB    25      16.294   3.861  19.150  1.00  6.38           C
HETATM  503  N1   IB    25      15.667   2.508  17.089  1.00  9.03           N
HETATM  504  N2   IB    25      17.610   2.735  16.021  1.00  6.95           N
HETATM  505  C13  IB    25      17.110   5.117  20.980  1.00  9.24           C
HETATM  506  C14  IB    25      16.381   5.661  22.986  1.00  8.58           C
HETATM  507  C15  IB    25      17.553   6.425  22.706  1.00 12.70           C
HETATM  508  C16  IB    25      18.148   7.387  23.690  1.00 14.73           C
HETATM  509  C17  IB    25      17.452   7.504  24.971  1.00 12.47           C
HETATM  510  C18  IB    25      16.228   6.695  25.244  1.00 13.15           C
HETATM  511  C19  IB    25      15.699   5.786  24.269  1.00 13.64           C
HETATM  512  N3   IB    25      16.213   4.889  21.866  1.00 11.15           N
HETATM  513  N4   IB    25      17.940   6.111  21.472  1.00  9.32           N
HETATM  514  N6   IB    25      15.491   6.719  26.522  1.00 22.76           N
HETATM  515  N7   IB    25      14.410   6.074  29.069  1.00 31.30           N
HETATM  516  C20  IB    25      14.317   5.747  26.779  1.00 18.71           C
HETATM  517  C21  IB    25      13.528   6.496  27.873  1.00 29.70           C
HETATM  518  C22  IB    25      15.712   6.850  28.793  1.00 34.85           C
HETATM  519  C23  IB    25      16.415   6.149  27.618  1.00 35.83           C
HETATM  520  C24  IB    25      13.797   6.450  30.444  1.00 37.11           C
HETATM  521  I    IB    25      17.230  -1.187  11.785  1.00 18.61           I
HETATM  522  CN2  IB    25      12.339  -0.831  11.181  1.00 24.41           C
HETATM  523 MG   MO4    26       5.856   4.811  39.506  1.00 10.16          MG
HETATM  524  O1  MO4    26       4.525   3.510  38.420  1.00 10.09           O
HETATM  525  O2  MO4    26       7.119   5.950  40.659  1.00 11.93           O
HETATM  526  O3  MO4    26       6.088   3.227  40.876  1.00  9.20           O
HETATM  527  O4  MO4    26       5.715   6.490  38.199  1.00 12.81           O
HETATM  528 MG   MO3    27      23.241   3.546  33.965  1.00 14.92          MG
HETATM  529  O1  MO3    27      24.960   3.453  33.769  1.00 17.66           O
HETATM  530  O2  MO3    27      23.160   2.142  32.317  1.00 27.18           O
HETATM  531  O3  MO3    27      23.461   5.270  32.400  1.00 20.99           O
HETATM  532  O   HOH    28      11.769  11.023  18.843  1.00 11.00           O
HETATM  533  O   HOH    29       9.812  -7.761  17.925  1.00 17.44           O
HETATM  534  O   HOH    30       7.989  -1.438  11.212  1.00  9.64           O
HETATM  535  O   HOH    31       9.882  -0.206   9.257  1.00 11.48           O
HETATM  536  O   HOH    32      15.116  -7.643  15.519  1.00 13.68           O
HETATM  537  O   HOH    33       2.032   3.022  39.387  1.00 16.13           O
HETATM  538  O   HOH    34       7.195 -12.553  34.725  1.00 27.62           O
HETATM  539  O   HOH    35      17.821  -3.508  20.392  1.00 14.86           O
HETATM  540  O   HOH    36      15.912  -0.873  41.518  1.00 33.62           O
HETATM  541  O   HOH    37       6.650   6.269  16.873  1.00 20.62           O
HETATM  542  O   HOH    38       2.996  -5.871  27.809  1.00 26.90           O
HETATM  543  O   HOH    39      13.507   0.956  40.956  1.00 30.86           O
HETATM  544  O   HOH    40      -1.603  14.925   8.590  1.00 22.15           O
HETATM  545  O   HOH    41      17.977   1.029   6.980  1.00 21.03           O
HETATM  546  O   HOH    42       9.512  11.720  19.730  1.00 24.03           O
HETATM  547  O   HOH    43      12.478  -5.796  18.978  1.00 27.55           O
HETATM  548  O   HOH    44      17.702  -7.116  30.231  1.00 29.10           O
HETATM  549  O   HOH    45      20.559  -4.170  13.530  0.50 57.35           O
HETATM  550  O   HOH    46      19.713   8.169  20.589  1.00 22.10           O
HETATM  551  O   HOH    47       2.701  -7.143  15.875  1.00 33.72           O
HETATM  552  O   HOH    48      -3.360   9.790  11.950  1.00 42.09           O
HETATM  553  O   HOH    49       3.479  12.097  12.724  1.00 25.02           O
HETATM  554  O   HOH    50       2.136  15.609  12.643  1.00 30.01           O
HETATM  555  O   HOH    51      13.645  -4.352  24.979  1.00 24.36           O
HETATM  556  O   HOH    52      10.411  10.300   6.410  1.00 20.53           O
HETATM  557  O   HOH    53      24.135   0.009  22.263  1.00 26.37           O
HETATM  558  O   HOH    54       7.702  -5.728  26.105  0.50 53.98           O
HETATM  559  O   HOH    55      10.491  -3.084  22.804  1.00 25.67           O
HETATM  560  O   HOH    56       6.050   9.480  30.730  0.50 47.10           O
HETATM  561  O   HOH    57      17.770   8.070  39.010  0.50 43.99           O
HETATM  562  O   HOH    58      10.152  13.269  21.475  1.00 39.08           O
HETATM  563  O   HOH    59      15.605  -6.371  27.694  1.00 36.83           O
HETATM  564  O   HOH    60      13.018   2.519  33.349  1.00 25.16           O
HETATM  565  O   HOH    61      17.405  -1.751   7.745  1.00 18.49           O
HETATM  566  O   HOH    63       8.565   9.959  21.944  1.00 21.00           O
HETATM  567  O   HOH    64      18.080  -7.423  33.572  1.00 28.89           O
HETATM  568  O   HOH    65       5.409  -0.319  18.977  1.00 35.81           O
HETATM  569  O   HOH    67       9.802   9.942   9.344  1.00 30.15           O
HETATM  570  O   HOH    68       9.255  -2.969  19.731  1.00 35.68           O
HETATM  571  O   HOH    69       2.212  -2.413  28.548  1.00 24.00           O
HETATM  572  O   HOH    70       9.530   4.176   1.880  1.00 27.75           O
HETATM  573  O   HOH    71      20.134   2.579  14.633  1.00 59.22           O
CONECT  489  491  493  495
CONECT  490  492  494  496
CONECT  491  489  492
CONECT  492  490  491
CONECT  493  489  494  521
CONECT  494  490  493
CONECT  495  489  522
CONECT  496  490  503  504
CONECT  497  498  502  503
CONECT  498  497  499  504
CONECT  499  498  500
CONECT  500  499  501
CONECT  501  500  502  505
CONECT  502  497  501
CONECT  503  496  497
CONECT  504  496  498
CONECT  505  501  512  513
CONECT  506  507  511  512
CONECT  507  506  508  513
CONECT  508  507  509
CONECT  509  508  510
CONECT  510  509  511  514
CONECT  511  506  510
CONECT  512  505  506
CONECT  513  505  507
CONECT  514  510  516  519
CONECT  515  517  518  520
CONECT  516  514  517
CONECT  517  515  516
CONECT  518  515  519
CONECT  519  514  518
CONECT  520  515
CONECT  521  493
CONECT  522  495
CONECT  523  524  525  526  527
CONECT  524  523
CONECT  525  523
CONECT  526  523
CONECT  527  523
CONECT  528  529  530  531
CONECT  529  528
CONECT  530  528
CONECT  531  528
MASTER      192    0    3    0    0    0    0    6  571    2   43    2
END
