HEADER FULL DUPLEX A DNA ??-???-?? ADH0 TITLE 5'-D(*GP*TP*CP*TP*AP*GP*AP*C)-3' KEYWDS DEOXYRIBONUCLEIC ACID JRNL AUTH A.Cervi,B.Langlois DEstaintot,W. N.Hunter JRNL TITL Crystal and Molecular Structure of d(GTCTAGAC) JRNL REF Acta Crystallogr.,Sect.B V. 48 714 1992 JRNL REFN ASTM ASBSDK DK ISSN 0108-7681 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 960 REMARK 960 EMBEDDED CIF REMARK 960 # --------------------------------------- REMARK 960 #----------------------------------- REMARK 960 REMARK 960 # Example CIF for an A type DNA structur REMARK 960 #e with a single strand REMARK 960 # in the asymmetric unit. This example REMARK 960 #is compliant with REMARK 960 # the Macromolecular CIF Dictionary (cif REMARK 960 #_mm.dic) version 0.9.01. REMARK 960 REMARK 960 # Prepared by: Anke Gelbin, REMARK 960 # John Westbrook, and Helen Berman REMARK 960 # Nucleic Acid REMARK 960 # Database Project REMARK 960 # Rutgers University REMARK 960 # e-mail: ndba REMARK 960 #dmin@ndbserver.rutgers.edu REMARK 960 # www: http REMARK 960 #://ndbserver.rutgers.edu REMARK 960 REMARK 960 #---------------------------------------- REMARK 960 #----------------------------------- REMARK 960 REMARK 960 data_ADH041 REMARK 960 REMARK 960 ############### REMARK 960 ## ENTRY ## REMARK 960 ############### REMARK 960 REMARK 960 _entry.id ADH041 REMARK 960 REMARK 960 ############### REMARK 960 ## ATOM_SITE ## REMARK 960 ############### REMARK 960 _atom_sites.entry_id ADH041 REMARK 960 _cell.entry_id ADH041 REMARK 960 loop_ REMARK 960 _chem_comp.id REMARK 960 _chem_comp.name REMARK 960 T THYMINE REMARK 960 C CYTOSINE REMARK 960 G GUANINE REMARK 960 HOH WATER REMARK 960 REMARK 960 REMARK 960 ############## REMARK 960 ## CITATION ## REMARK 960 ############## REMARK 960 REMARK 960 loop_ REMARK 960 _citation.id REMARK 960 _citation.page_last REMARK 960 primary REMARK 960 719 REMARK 960 _computing.entry_id ADH041 REMARK 960 _computing.structure_refinement NUCLSQ REMARK 960 REMARK 960 ############ REMARK 960 ## DIFFRN ## REMARK 960 ############ REMARK 960 REMARK 960 _diffrn.id ds1 REMARK 960 _diffrn.crystal_id 1 REMARK 960 _diffrn.ambient_temp 295.00 REMARK 960 REMARK 960 ######################## REMARK 960 ## DIFFRN_MEASUREMENT ## REMARK 960 ######################## REMARK 960 REMARK 960 _diffrn_measurement.diffrn_id ds1 REMARK 960 _diffrn_measurement.device REMARK 960 DIFFRACTOMETER REMARK 960 _diffrn_measurement.device_type 'RIGAKU AFC-5' REMARK 960 REMARK 960 ################### REMARK 960 ## DIFFRN_SOURCE ## REMARK 960 ################### REMARK 960 REMARK 960 _diffrn_source.diffrn_id ds1 REMARK 960 _diffrn_source.type REMARK 960 'ROTATING ANODE' REMARK 960 REMARK 960 ###################### REMARK 960 ## DIFFRN_RADIATION ## REMARK 960 ###################### REMARK 960 REMARK 960 _diffrn_radiation.diffrn_id ds1 REMARK 960 _diffrn_radiation.wavelength_id 1 REMARK 960 REMARK 960 ################################# REMARK 960 ## DIFFRN_RADIATION_WAVELENGTH ## REMARK 960 ################################# REMARK 960 REMARK 960 _diffrn_radiation_wavelength.id 1 REMARK 960 _diffrn_radiation_wavelength.wavelength 1.54 REMARK 960 _diffrn_radiation_wavelength.wt 1.0 REMARK 960 REMARK 960 ############ REMARK 960 ## ENTITY ## REMARK 960 ############ REMARK 960 REMARK 960 loop_ REMARK 960 _entity.id REMARK 960 _entity.src_method REMARK 960 2 . REMARK 960 REMARK 960 ##################### REMARK 960 ## ENTITY_KEYWORDS ## REMARK 960 ##################### REMARK 960 REMARK 960 loop_ REMARK 960 _entity_keywords.entity_id REMARK 960 _entity_keywords.text REMARK 960 1 'NUCLEIC ACID' REMARK 960 REMARK 960 REMARK 960 ################# REMARK 960 ## ENTITY_POLY ## REMARK 960 ################# REMARK 960 REMARK 960 loop_ REMARK 960 _entity_poly.entity_id REMARK 960 _entity_poly.number_of_monomers REMARK 960 _entity_poly.type REMARK 960 1 8 polydeoxyribonucleotide REMARK 960 REMARK 960 ##################### REMARK 960 ## ENTITY_POLY_SEQ ## REMARK 960 ##################### REMARK 960 REMARK 960 _exptl_crystal_grow.crystal_id 1 REMARK 960 _exptl_crystal_grow.method REMARK 960 'vapor diffusion' REMARK 960 _exptl_crystal_grow.pH 6.8 REMARK 960 _exptl_crystal_grow.temp 295.0 REMARK 960 REMARK 960 ############################# REMARK 960 ## EXPTL_CRYSTAL_GROW_COMP ## REMARK 960 ############################# REMARK 960 REMARK 960 loop_ REMARK 960 _exptl_crystal_grow_comp.crystal_id REMARK 960 _exptl_crystal_grow_comp.id REMARK 960 _exptl_crystal_grow_comp.sol_id REMARK 960 _exptl_crystal_grow_comp.name REMARK 960 1 2 1 'Na Cacodylate' REMARK 960 1 3 1 MgCl2 REMARK 960 1 4 1 'Spermine HCL' REMARK 960 1 5 2 MPD REMARK 960 REMARK 960 REMARK 960 ############ REMARK 960 ## STRUCT ## REMARK 960 ############ REMARK 960 REMARK 960 _struct.entry_id ADH041 REMARK 960 loop_ REMARK 960 _struct_asym.id REMARK 960 _struct_asym.details REMARK 960 S H2O REMARK 960 REMARK 960 ################# REMARK 960 ## STRUCT_BIOL ## REMARK 960 ################# REMARK 960 REMARK 960 _struct_biol.id 1 REMARK 960 loop_ REMARK 960 _struct_biol_gen.biol_id REMARK 960 _struct_biol_gen.asym_id REMARK 960 _struct_biol_gen.symmetry REMARK 960 1 A 7_555 REMARK 960 1 S 1_555 REMARK 960 1 S 7_555 REMARK 960 REMARK 960 ########################## REMARK 960 ## STRUCT_BIOL_KEYWORDS ## REMARK 960 ########################## REMARK 960 REMARK 960 loop_ REMARK 960 _struct_biol_keywords.biol_id REMARK 960 _struct_biol_keywords.text REMARK 960 1 'A DNA' REMARK 960 1 'DNA DUPLEX' REMARK 960 REMARK 960 ################# REMARK 960 ## STRUCT_CONF ## REMARK 960 ################# REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conf.id REMARK 960 _struct_conf.conf_type_id REMARK 960 _struct_conf.beg_label_comp_id REMARK 960 _struct_conf.beg_label_asym_id REMARK 960 _struct_conf.beg_label_seq_id REMARK 960 _struct_conf.end_label_comp_id REMARK 960 _struct_conf.end_label_asym_id REMARK 960 _struct_conf.end_label_seq_id REMARK 960 CHAIN-A HELX_RH_A_N G A 1 C A 8 REMARK 960 REMARK 960 ###################### REMARK 960 ## STRUCT_CONN_TYPE ## REMARK 960 ###################### REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conn_type.id REMARK 960 _struct_conn_type.criteria REMARK 960 hydrog REMARK 960 ;\ REMARK 960 REMARK 960 N to O distance > 2.5 Angstroms and < 3.5 Angstroms, REMARK 960 N - O - C angle < 120 degrees REMARK 960 ; REMARK 960 REMARK 960 ###################### REMARK 960 ## STRUCT_CONF_TYPE ## REMARK 960 ###################### REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conf_type.id REMARK 960 _struct_conf_type.criteria REMARK 960 HELX_RH_A_N 'AUTHOR JUDGEMENT' REMARK 960 REMARK 960 ################# REMARK 960 ## STRUCT_CONN ## REMARK 960 ################# REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conn.id REMARK 960 _struct_conn.conn_type_id REMARK 960 _struct_conn.ptnr1_label_comp_id REMARK 960 _struct_conn.ptnr1_label_asym_id REMARK 960 _struct_conn.ptnr1_label_seq_id REMARK 960 _struct_conn.ptnr1_label_atom_id REMARK 960 _struct_conn.ptnr1_symmetry REMARK 960 _struct_conn.ptnr2_label_comp_id REMARK 960 _struct_conn.ptnr2_label_asym_id REMARK 960 _struct_conn.ptnr2_label_seq_id REMARK 960 _struct_conn.ptnr2_label_atom_id REMARK 960 _struct_conn.ptnr2_symmetry REMARK 960 _struct_conn.details REMARK 960 2 hydrog G A 1 N1 1_555 C A 8 N3 7_555 REMARK 960 WATSON-CRICK REMARK 960 3 hydrog G A 1 O6 1_555 C A 8 N4 7_555 REMARK 960 WATSON-CRICK REMARK 960 4 hydrog T A 2 N3 1_555 A A 7 N1 7_555 REMARK 960 WATSON-CRICK REMARK 960 5 hydrog T A 2 O4 1_555 A A 7 N6 7_555 REMARK 960 WATSON-CRICK REMARK 960 6 hydrog C A 3 O2 1_555 G A 6 N2 7_555 REMARK 960 WATSON-CRICK REMARK 960 7 hydrog C A 3 N3 1_555 G A 6 N1 7_555 REMARK 960 WATSON-CRICK REMARK 960 8 hydrog C A 3 N4 1_555 G A 6 O6 7_555 REMARK 960 WATSON-CRICK REMARK 960 9 hydrog T A 4 N3 1_555 A A 5 N1 7_555 REMARK 960 WATSON-CRICK REMARK 960 10 hydrog T A 4 O4 1_555 A A 5 N6 7_555 REMARK 960 WATSON-CRICK REMARK 960 11 hydrog A A 5 N1 1_555 T A 4 N3 7_555 REMARK 960 WATSON-CRICK REMARK 960 12 hydrog A A 5 N6 1_555 T A 4 O4 7_555 REMARK 960 WATSON-CRICK REMARK 960 13 hydrog G A 6 N2 1_555 C A 3 O2 7_555 REMARK 960 WATSON-CRICK REMARK 960 14 hydrog G A 6 N1 1_555 C A 3 N3 7_555 REMARK 960 WATSON-CRICK REMARK 960 15 hydrog G A 6 O6 1_555 C A 3 N4 7_555 REMARK 960 WATSON-CRICK REMARK 960 16 hydrog A A 7 N1 1_555 T A 2 N3 7_555 REMARK 960 WATSON-CRICK REMARK 960 17 hydrog A A 7 N6 1_555 T A 2 O4 7_555 REMARK 960 WATSON-CRICK REMARK 960 18 hydrog C A 8 O2 1_555 G A 1 N2 7_555 REMARK 960 WATSON-CRICK REMARK 960 19 hydrog C A 8 N3 1_555 G A 1 N1 7_555 REMARK 960 WATSON-CRICK REMARK 960 20 hydrog C A 8 N4 1_555 G A 1 O6 7_555 REMARK 960 WATSON-CRICK REMARK 960 REMARK 960 ############## REMARK 960 ## SYMMETRY ## REMARK 960 ############## REMARK 960 REMARK 960 _symmetry.entry_id ADH041 SEQRES 1 A 8 G T C T A G A C CRYST1 42.560 42.560 24.610 90.00 90.00 90.00 P 43 21 2 1 SCALE1 0.023496 0.000000 0.000000 0.00000 SCALE2 0.000000 0.023496 0.000000 0.00000 SCALE3 0.000000 0.000000 0.040634 0.00000 ATOM 1 O5* G A 1 7.231 -2.196 -5.399 1.00 22.25 ATOM 2 C5* G A 1 6.950 -3.464 -4.723 1.00 15.86 ATOM 3 C4* G A 1 8.299 -4.018 -4.302 1.00 15.20 ATOM 4 O4* G A 1 9.257 -3.779 -5.318 1.00 10.85 ATOM 5 C3* G A 1 8.912 -3.354 -3.074 1.00 15.62 ATOM 6 O3* G A 1 8.397 -3.826 -1.833 1.00 20.67 ATOM 7 C2* G A 1 10.385 -3.707 -3.244 1.00 12.71 ATOM 8 C1* G A 1 10.538 -3.558 -4.728 1.00 7.78 ATOM 9 N9 G A 1 11.032 -2.213 -5.038 1.00 5.96 ATOM 10 C8 G A 1 10.432 -1.200 -5.709 1.00 5.64 ATOM 11 N7 G A 1 11.206 -0.153 -5.904 1.00 6.81 ATOM 12 C5 G A 1 12.419 -0.515 -5.331 1.00 8.61 ATOM 13 C6 G A 1 13.658 0.170 -5.193 1.00 8.05 ATOM 14 O6 G A 1 13.934 1.328 -5.562 1.00 11.41 ATOM 15 N1 G A 1 14.628 -0.540 -4.543 1.00 7.19 ATOM 16 C2 G A 1 14.419 -1.813 -4.100 1.00 5.46 ATOM 17 N2 G A 1 15.466 -2.434 -3.532 1.00 10.14 ATOM 18 N3 G A 1 13.296 -2.481 -4.196 1.00 5.15 ATOM 19 C4 G A 1 12.330 -1.788 -4.809 1.00 8.28 ATOM 20 P T A 2 7.699 -2.741 -0.810 1.00 19.59 ATOM 21 O1P T A 2 7.159 -1.711 -1.757 1.00 18.85 ATOM 22 O2P T A 2 6.588 -3.545 -0.207 1.00 20.41 ATOM 23 O5* T A 2 8.933 -2.362 0.047 1.00 14.20 ATOM 24 C5* T A 2 9.636 -3.349 0.820 1.00 18.12 ATOM 25 C4* T A 2 11.049 -2.839 0.982 1.00 17.74 ATOM 26 O4* T A 2 11.615 -2.545 -0.283 1.00 17.74 ATOM 27 C3* T A 2 11.176 -1.528 1.745 1.00 19.12 ATOM 28 O3* T A 2 11.070 -1.673 3.152 1.00 22.36 ATOM 29 C2* T A 2 12.585 -1.081 1.307 1.00 17.85 ATOM 30 C1* T A 2 12.606 -1.507 -0.128 1.00 12.64 ATOM 31 N1 T A 2 12.308 -0.353 -1.012 1.00 9.55 ATOM 32 C2 T A 2 13.411 0.413 -1.363 1.00 7.45 ATOM 33 O2 T A 2 14.530 0.162 -0.925 1.00 8.22 ATOM 34 N3 T A 2 13.206 1.451 -2.217 1.00 8.01 ATOM 35 C4 T A 2 11.985 1.728 -2.744 1.00 7.67 ATOM 36 O4 T A 2 11.930 2.715 -3.546 1.00 10.46 ATOM 37 C5 T A 2 10.878 0.902 -2.409 1.00 3.98 ATOM 38 C5M T A 2 9.516 1.217 -2.978 1.00 3.03 ATOM 39 C6 T A 2 11.091 -0.102 -1.563 1.00 5.06 ATOM 40 P C A 3 10.321 -0.536 3.970 1.00 28.15 ATOM 41 O1P C A 3 9.682 0.255 2.867 1.00 27.97 ATOM 42 O2P C A 3 9.389 -1.196 4.922 1.00 29.35 ATOM 43 O5* C A 3 11.483 0.260 4.710 1.00 22.68 ATOM 44 C5* C A 3 12.402 0.758 3.726 1.00 24.92 ATOM 45 C4* C A 3 13.581 1.388 4.420 1.00 23.08 ATOM 46 O4* C A 3 14.560 1.558 3.404 1.00 27.27 ATOM 47 C3* C A 3 13.343 2.737 5.038 1.00 23.43 ATOM 48 O3* C A 3 13.572 2.758 6.463 1.00 25.54 ATOM 49 C2* C A 3 14.321 3.686 4.356 1.00 25.72 ATOM 50 C1* C A 3 14.696 2.945 3.098 1.00 22.89 ATOM 51 N1 C A 3 13.785 3.345 2.018 1.00 20.44 ATOM 52 C2 C A 3 14.211 4.401 1.228 1.00 19.82 ATOM 53 O2 C A 3 15.296 4.924 1.457 1.00 19.34 ATOM 54 N3 C A 3 13.381 4.797 0.226 1.00 20.88 ATOM 55 C4 C A 3 12.159 4.218 0.015 1.00 22.27 ATOM 56 N4 C A 3 11.380 4.652 -0.987 1.00 21.02 ATOM 57 C5 C A 3 11.738 3.145 0.847 1.00 22.07 ATOM 58 C6 C A 3 12.581 2.749 1.819 1.00 20.93 ATOM 59 P T A 4 13.249 4.145 7.228 1.00 26.13 ATOM 60 O1P T A 4 11.785 4.341 6.832 1.00 25.37 ATOM 61 O2P T A 4 13.504 3.907 8.673 1.00 32.53 ATOM 62 O5* T A 4 14.194 5.248 6.662 1.00 17.95 ATOM 63 C5* T A 4 15.607 5.380 6.834 1.00 15.14 ATOM 64 C4* T A 4 15.973 6.673 6.116 1.00 15.44 ATOM 65 O4* T A 4 15.700 6.524 4.745 1.00 16.75 ATOM 66 C3* T A 4 15.173 7.899 6.524 1.00 14.00 ATOM 67 O3* T A 4 15.645 8.491 7.720 1.00 18.73 ATOM 68 C2* T A 4 15.360 8.814 5.326 1.00 15.19 ATOM 69 C1* T A 4 15.428 7.848 4.189 1.00 15.15 ATOM 70 N1 T A 4 14.160 7.776 3.450 1.00 13.97 ATOM 71 C2 T A 4 13.990 8.644 2.390 1.00 13.15 ATOM 72 O2 T A 4 14.858 9.470 2.156 1.00 13.53 ATOM 73 N3 T A 4 12.832 8.538 1.666 1.00 11.60 ATOM 74 C4 T A 4 11.870 7.622 1.959 1.00 11.54 ATOM 75 O4 T A 4 10.840 7.610 1.211 1.00 13.43 ATOM 76 C5 T A 4 12.061 6.725 3.049 1.00 12.09 ATOM 77 C5M T A 4 11.053 5.677 3.416 1.00 7.58 ATOM 78 C6 T A 4 13.211 6.827 3.743 1.00 14.34 ATOM 79 P A A 5 14.790 9.516 8.579 1.00 27.61 ATOM 80 O1P A A 5 13.338 9.227 8.330 1.00 14.47 ATOM 81 O2P A A 5 15.309 9.627 9.977 1.00 22.02 ATOM 82 O5* A A 5 15.181 10.942 7.875 1.00 19.11 ATOM 83 C5* A A 5 13.921 11.619 7.555 1.00 12.04 ATOM 84 C4* A A 5 14.364 12.649 6.531 1.00 11.89 ATOM 85 O4* A A 5 14.560 12.019 5.296 1.00 12.02 ATOM 86 C3* A A 5 13.325 13.734 6.322 1.00 11.99 ATOM 87 O3* A A 5 13.606 14.841 7.166 1.00 18.44 ATOM 88 C2* A A 5 13.474 14.066 4.853 1.00 12.81 ATOM 89 C1* A A 5 13.879 12.725 4.267 1.00 8.63 ATOM 90 N9 A A 5 12.670 12.040 3.802 1.00 6.64 ATOM 91 C8 A A 5 12.040 10.955 4.317 1.00 4.88 ATOM 92 N7 A A 5 10.964 10.606 3.647 1.00 7.15 ATOM 93 C5 A A 5 10.912 11.517 2.589 1.00 5.96 ATOM 94 C6 A A 5 10.002 11.653 1.511 1.00 6.23 ATOM 95 N6 A A 5 8.980 10.832 1.294 1.00 5.89 ATOM 96 N1 A A 5 10.274 12.674 0.657 1.00 3.00 ATOM 97 C2 A A 5 11.359 13.474 0.844 1.00 7.72 ATOM 98 N3 A A 5 12.262 13.402 1.824 1.00 4.19 ATOM 99 C4 A A 5 11.968 12.394 2.660 1.00 5.64 ATOM 100 P G A 6 12.487 15.964 7.442 1.00 12.38 ATOM 101 O1P G A 6 11.321 15.168 7.816 1.00 19.23 ATOM 102 O2P G A 6 13.121 16.811 8.453 1.00 19.19 ATOM 103 O5* G A 6 12.381 16.573 5.970 1.00 17.14 ATOM 104 C5* G A 6 12.708 17.952 5.680 1.00 15.41 ATOM 105 C4* G A 6 12.142 18.250 4.314 1.00 13.87 ATOM 106 O4* G A 6 11.998 17.028 3.598 1.00 13.41 ATOM 107 C3* G A 6 10.746 18.846 4.258 1.00 14.92 ATOM 108 O3* G A 6 10.683 20.233 4.560 1.00 13.67 ATOM 109 C2* G A 6 10.355 18.586 2.793 1.00 10.87 ATOM 110 C1* G A 6 10.981 17.250 2.577 1.00 10.44 ATOM 111 N9 G A 6 10.040 16.152 2.781 1.00 8.54 ATOM 112 C8 G A 6 10.155 15.245 3.797 1.00 9.12 ATOM 113 N7 G A 6 9.240 14.296 3.731 1.00 13.90 ATOM 114 C5 G A 6 8.495 14.619 2.601 1.00 8.41 ATOM 115 C6 G A 6 7.363 13.994 2.030 1.00 9.70 ATOM 116 O6 G A 6 6.780 12.981 2.451 1.00 10.74 ATOM 117 N1 G A 6 6.903 14.632 0.896 1.00 9.85 ATOM 118 C2 G A 6 7.482 15.752 0.396 1.00 3.88 ATOM 119 N2 G A 6 6.899 16.258 -0.684 1.00 7.71 ATOM 120 N3 G A 6 8.546 16.369 0.898 1.00 6.92 ATOM 121 C4 G A 6 8.989 15.760 2.013 1.00 8.28 ATOM 122 P A A 7 9.504 20.535 5.636 1.00 11.52 ATOM 123 O1P A A 7 9.529 19.437 6.534 1.00 11.92 ATOM 124 O2P A A 7 9.929 21.884 6.128 1.00 18.21 ATOM 125 O5* A A 7 8.201 20.586 4.673 1.00 8.91 ATOM 126 C5* A A 7 8.342 21.586 3.620 1.00 6.45 ATOM 127 C4* A A 7 7.248 21.318 2.626 1.00 3.39 ATOM 128 O4* A A 7 7.376 20.033 2.057 1.00 5.79 ATOM 129 C3* A A 7 5.844 21.323 3.231 1.00 3.85 ATOM 130 O3* A A 7 5.439 22.642 3.445 1.00 7.81 ATOM 131 C2* A A 7 5.069 20.565 2.156 1.00 5.70 ATOM 132 C1* A A 7 6.056 19.527 1.752 1.00 3.87 ATOM 133 N9 A A 7 5.895 18.301 2.540 1.00 4.66 ATOM 134 C8 A A 7 6.707 17.875 3.561 1.00 6.62 ATOM 135 N7 A A 7 6.324 16.743 4.112 1.00 2.28 ATOM 136 C5 A A 7 5.218 16.381 3.349 1.00 1.74 ATOM 137 C6 A A 7 4.379 15.258 3.413 1.00 4.78 ATOM 138 N6 A A 7 4.550 14.283 4.297 1.00 9.36 ATOM 139 N1 A A 7 3.362 15.241 2.513 1.00 5.07 ATOM 140 C2 A A 7 3.171 16.249 1.632 1.00 4.94 ATOM 141 N3 A A 7 3.911 17.365 1.538 1.00 4.89 ATOM 142 C4 A A 7 4.933 17.339 2.404 1.00 4.26 ATOM 143 P C A 8 4.209 23.208 4.243 1.00 14.05 ATOM 144 O1P C A 8 4.294 22.557 5.545 1.00 16.14 ATOM 145 O2P C A 8 4.494 24.749 4.243 1.00 18.27 ATOM 146 O5* C A 8 2.932 22.914 3.421 1.00 10.49 ATOM 147 C5* C A 8 2.749 21.642 2.712 1.00 14.57 ATOM 148 C4* C A 8 1.349 21.825 2.134 1.00 15.98 ATOM 149 O4* C A 8 0.689 20.633 1.831 1.00 17.74 ATOM 150 C3* C A 8 0.468 22.544 3.162 1.00 15.68 ATOM 151 O3* C A 8 -0.208 23.621 2.486 1.00 23.46 ATOM 152 C2* C A 8 -0.375 21.450 3.741 1.00 14.98 ATOM 153 C1* C A 8 -0.021 20.191 3.007 1.00 13.74 ATOM 154 N1 C A 8 0.834 19.292 3.819 1.00 14.40 ATOM 155 C2 C A 8 0.464 17.960 3.871 1.00 13.07 ATOM 156 O2 C A 8 -0.540 17.539 3.305 1.00 14.67 ATOM 157 N3 C A 8 1.243 17.096 4.580 1.00 12.98 ATOM 158 C4 C A 8 2.332 17.535 5.274 1.00 13.43 ATOM 159 N4 C A 8 3.000 16.637 5.997 1.00 12.91 ATOM 160 C5 C A 8 2.707 18.909 5.212 1.00 12.96 ATOM 161 C6 C A 8 1.945 19.735 4.489 1.00 10.13 HETATM 163 O1 HOH S 9 14.585 15.313 1.617 1.00 14.98 HETATM 164 O2 HOH S 10 14.594 0.902 9.098 1.00 22.76 HETATM 165 O3 HOH S 11 16.943 10.508 6.253 1.00 57.46 MASTER 287 0 0 0 0 0 0 3 164 0 0 1 END