Files
foundry/models/rfd3/docs/input_pdbs/1q75.pdb
Raktim Mitra 152a0911f1 DRAFT: docs for release, soft code hbplus (#699)
* documentation for release draft start

* trajectory.png

* update readme to rf3-lab paths, annotate TODOs

* add input_pdbs, demo.json

* Update README.md example pngs

* tasks pngs

* Update README.md - restructure pngs and application links

* Update README.md mc

* Update README.md add ipynb kernel export instruction

* mpnn all.ipynb

* open and edit tutorial.zip

* Update run_inf_tutorial.sh

* remove outputs

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* soft code hbplus executable

* rename modelforge to foundry (rfd3) README

* fix: enabled running rfd3, mpnn inline

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* remove todos, one remaining

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---------

Co-authored-by: Raktim Mitra <raktim@digs>
Co-authored-by: Raktim Mitra <raktim@localhost>
Co-authored-by: Rohith Krishna <rohith@localhost>
Co-authored-by: Raktim Mitra <raktim@digs.ipd.uw.edu>
2025-12-01 18:23:02 -08:00

517 lines
41 KiB
Plaintext

HEADER RNA 15-AUG-03 XXXX
TITLE SOLUTION STRUCTURE OF THE DYSKERATOSIS CONGENITA MUTANT P2B HAIRPIN
TITLE 2 FROM HUMAN TELOMERASE RNA
KEYWDS TETRALOOP, PENTALOOP, UUCG, YNMG, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL AUTH C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL TITL YNMG TETRALOOP FORMATION BY A DYSKERATOSIS CONGENITA
JRNL TITL 2 MUTATION IN HUMAN TELOMERASE RNA.
JRNL REF RNA V. 9 1446 2003
JRNL REFN ISSN 1355-8382
JRNL PMID 14624001
JRNL DOI 10.1261/RNA.5152303
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.A.THEIMER,L.D.FINGER,L.TRANTIREK,J.FEIGON
REMARK 1 TITL MUTATIONS LINKED TO DYSKERATOSIS CONGENITA CAUSE CHANGES IN
REMARK 1 TITL 2 THE STRUCTURAL EQUILIBRIUM IN TELOMERASE RNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 100 449 2003
REMARK 1 REFN ISSN 0027-8424
REMARK 1 DOI 10.1073/PNAS.242720799
SEQRES 1 A 15 G G C U C U C A G U G A G
SEQRES 2 A 15 C C
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
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 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 O5' G A 1 -9.383 3.564 6.205 1.00 0.00 O
ATOM 2 C5' G A 1 -10.723 3.323 6.644 1.00 0.00 C
ATOM 3 C4' G A 1 -11.741 4.029 5.754 1.00 0.00 C
ATOM 4 O4' G A 1 -11.853 5.419 6.093 1.00 0.00 O
ATOM 5 C3' G A 1 -11.309 3.989 4.295 1.00 0.00 C
ATOM 6 O3' G A 1 -11.974 2.893 3.663 1.00 0.00 O
ATOM 7 C2' G A 1 -11.879 5.286 3.739 1.00 0.00 C
ATOM 8 O2' G A 1 -13.256 5.139 3.373 1.00 0.00 O
ATOM 9 C1' G A 1 -11.717 6.225 4.913 1.00 0.00 C
ATOM 10 N9 G A 1 -10.407 6.907 4.872 1.00 0.00 N
ATOM 11 C8 G A 1 -9.448 7.007 5.827 1.00 0.00 C
ATOM 12 N7 G A 1 -8.383 7.675 5.538 1.00 0.00 N
ATOM 13 C5 G A 1 -8.647 8.080 4.227 1.00 0.00 C
ATOM 14 C6 G A 1 -7.855 8.856 3.338 1.00 0.00 C
ATOM 15 O6 G A 1 -6.746 9.346 3.535 1.00 0.00 O
ATOM 16 N1 G A 1 -8.489 9.035 2.115 1.00 0.00 N
ATOM 17 C2 G A 1 -9.731 8.532 1.782 1.00 0.00 C
ATOM 18 N2 G A 1 -10.171 8.812 0.556 1.00 0.00 N
ATOM 19 N3 G A 1 -10.483 7.801 2.613 1.00 0.00 N
ATOM 20 C4 G A 1 -9.885 7.614 3.811 1.00 0.00 C
ATOM 21 H5' G A 1 -10.832 3.685 7.667 1.00 0.00 H
ATOM 22 H5'' G A 1 -10.916 2.250 6.625 1.00 0.00 H
ATOM 23 H4' G A 1 -12.716 3.550 5.860 1.00 0.00 H
ATOM 24 H3' G A 1 -10.223 3.931 4.193 1.00 0.00 H
ATOM 25 H2' G A 1 -11.288 5.649 2.897 1.00 0.00 H
ATOM 26 HO2' G A 1 -13.543 5.978 3.004 1.00 0.00 H
ATOM 27 H1' G A 1 -12.507 6.963 4.879 1.00 0.00 H
ATOM 28 H8 G A 1 -9.569 6.536 6.801 1.00 0.00 H
ATOM 29 H1 G A 1 -7.984 9.578 1.429 1.00 0.00 H
ATOM 30 H21 G A 1 -9.602 9.364 -0.071 1.00 0.00 H
ATOM 31 H22 G A 1 -11.073 8.473 0.253 1.00 0.00 H
ATOM 32 HO5' G A 1 -8.994 4.198 6.811 1.00 0.00 H
ATOM 33 P G A 2 -11.123 1.737 2.936 1.00 0.00 P
ATOM 34 OP1 G A 2 -11.895 0.477 3.010 1.00 0.00 O
ATOM 35 OP2 G A 2 -9.738 1.787 3.454 1.00 0.00 O
ATOM 36 O5' G A 2 -11.106 2.229 1.404 1.00 0.00 O
ATOM 37 C5' G A 2 -12.319 2.299 0.651 1.00 0.00 C
ATOM 38 C4' G A 2 -12.144 3.138 -0.610 1.00 0.00 C
ATOM 39 O4' G A 2 -11.824 4.498 -0.290 1.00 0.00 O
ATOM 40 C3' G A 2 -10.990 2.613 -1.452 1.00 0.00 C
ATOM 41 O3' G A 2 -11.530 1.788 -2.488 1.00 0.00 O
ATOM 42 C2' G A 2 -10.417 3.864 -2.092 1.00 0.00 C
ATOM 43 O2' G A 2 -11.073 4.164 -3.330 1.00 0.00 O
ATOM 44 C1' G A 2 -10.687 4.938 -1.048 1.00 0.00 C
ATOM 45 N9 G A 2 -9.513 5.155 -0.174 1.00 0.00 N
ATOM 46 C8 G A 2 -9.332 4.852 1.140 1.00 0.00 C
ATOM 47 N7 G A 2 -8.195 5.153 1.671 1.00 0.00 N
ATOM 48 C5 G A 2 -7.519 5.733 0.594 1.00 0.00 C
ATOM 49 C6 G A 2 -6.208 6.277 0.529 1.00 0.00 C
ATOM 50 O6 G A 2 -5.369 6.351 1.424 1.00 0.00 O
ATOM 51 N1 G A 2 -5.918 6.760 -0.741 1.00 0.00 N
ATOM 52 C2 G A 2 -6.778 6.726 -1.820 1.00 0.00 C
ATOM 53 N2 G A 2 -6.316 7.241 -2.959 1.00 0.00 N
ATOM 54 N3 G A 2 -8.013 6.217 -1.768 1.00 0.00 N
ATOM 55 C4 G A 2 -8.319 5.740 -0.540 1.00 0.00 C
ATOM 56 H5' G A 2 -13.098 2.743 1.270 1.00 0.00 H
ATOM 57 H5'' G A 2 -12.620 1.290 0.368 1.00 0.00 H
ATOM 58 H4' G A 2 -13.063 3.112 -1.195 1.00 0.00 H
ATOM 59 H3' G A 2 -10.249 2.084 -0.852 1.00 0.00 H
ATOM 60 H2' G A 2 -9.346 3.755 -2.240 1.00 0.00 H
ATOM 61 HO2' G A 2 -10.493 4.746 -3.827 1.00 0.00 H
ATOM 62 H1' G A 2 -10.925 5.865 -1.561 1.00 0.00 H
ATOM 63 H8 G A 2 -10.120 4.379 1.731 1.00 0.00 H
ATOM 64 H1 G A 2 -5.000 7.164 -0.863 1.00 0.00 H
ATOM 65 H21 G A 2 -5.383 7.625 -2.998 1.00 0.00 H
ATOM 66 H22 G A 2 -6.899 7.247 -3.784 1.00 0.00 H
ATOM 67 P C A 3 -10.602 0.706 -3.235 1.00 0.00 P
ATOM 68 OP1 C A 3 -11.427 0.006 -4.245 1.00 0.00 O
ATOM 69 OP2 C A 3 -9.876 -0.071 -2.206 1.00 0.00 O
ATOM 70 O5' C A 3 -9.538 1.633 -4.010 1.00 0.00 O
ATOM 71 C5' C A 3 -9.959 2.479 -5.082 1.00 0.00 C
ATOM 72 C4' C A 3 -8.777 3.191 -5.733 1.00 0.00 C
ATOM 73 O4' C A 3 -8.128 4.072 -4.819 1.00 0.00 O
ATOM 74 C3' C A 3 -7.709 2.203 -6.153 1.00 0.00 C
ATOM 75 O3' C A 3 -7.980 1.775 -7.489 1.00 0.00 O
ATOM 76 C2' C A 3 -6.444 3.047 -6.167 1.00 0.00 C
ATOM 77 O2' C A 3 -6.235 3.655 -7.447 1.00 0.00 O
ATOM 78 C1' C A 3 -6.716 4.098 -5.087 1.00 0.00 C
ATOM 79 N1 C A 3 -5.941 3.806 -3.868 1.00 0.00 N
ATOM 80 C2 C A 3 -4.611 4.192 -3.848 1.00 0.00 C
ATOM 81 O2 C A 3 -4.124 4.773 -4.815 1.00 0.00 O
ATOM 82 N3 C A 3 -3.875 3.911 -2.737 1.00 0.00 N
ATOM 83 C4 C A 3 -4.423 3.278 -1.691 1.00 0.00 C
ATOM 84 N4 C A 3 -3.673 3.015 -0.620 1.00 0.00 N
ATOM 85 C5 C A 3 -5.798 2.880 -1.712 1.00 0.00 C
ATOM 86 C6 C A 3 -6.514 3.164 -2.814 1.00 0.00 C
ATOM 87 H5' C A 3 -10.656 3.222 -4.696 1.00 0.00 H
ATOM 88 H5'' C A 3 -10.467 1.873 -5.833 1.00 0.00 H
ATOM 89 H4' C A 3 -9.117 3.755 -6.596 1.00 0.00 H
ATOM 90 H3' C A 3 -7.637 1.367 -5.460 1.00 0.00 H
ATOM 91 H2' C A 3 -5.585 2.434 -5.883 1.00 0.00 H
ATOM 92 HO2' C A 3 -5.361 3.394 -7.748 1.00 0.00 H
ATOM 93 H1' C A 3 -6.440 5.082 -5.462 1.00 0.00 H
ATOM 94 H41 C A 3 -2.699 3.294 -0.602 1.00 0.00 H
ATOM 95 H42 C A 3 -4.077 2.535 0.176 1.00 0.00 H
ATOM 96 H5 C A 3 -6.250 2.364 -0.867 1.00 0.00 H
ATOM 97 H6 C A 3 -7.564 2.880 -2.863 1.00 0.00 H
ATOM 98 P U A 4 -7.339 0.407 -8.048 1.00 0.00 P
ATOM 99 OP1 U A 4 -7.766 0.237 -9.454 1.00 0.00 O
ATOM 100 OP2 U A 4 -7.602 -0.664 -7.062 1.00 0.00 O
ATOM 101 O5' U A 4 -5.760 0.728 -8.034 1.00 0.00 O
ATOM 102 C5' U A 4 -5.176 1.520 -9.071 1.00 0.00 C
ATOM 103 C4' U A 4 -3.740 1.919 -8.743 1.00 0.00 C
ATOM 104 O4' U A 4 -3.600 2.304 -7.382 1.00 0.00 O
ATOM 105 C3' U A 4 -2.786 0.751 -8.913 1.00 0.00 C
ATOM 106 O3' U A 4 -2.302 0.755 -10.259 1.00 0.00 O
ATOM 107 C2' U A 4 -1.627 1.102 -7.988 1.00 0.00 C
ATOM 108 O2' U A 4 -0.565 1.744 -8.703 1.00 0.00 O
ATOM 109 C1' U A 4 -2.254 2.051 -6.959 1.00 0.00 C
ATOM 110 N1 U A 4 -2.223 1.453 -5.613 1.00 0.00 N
ATOM 111 C2 U A 4 -1.101 1.686 -4.845 1.00 0.00 C
ATOM 112 O2 U A 4 -0.165 2.373 -5.247 1.00 0.00 O
ATOM 113 N3 U A 4 -1.089 1.101 -3.594 1.00 0.00 N
ATOM 114 C4 U A 4 -2.092 0.311 -3.053 1.00 0.00 C
ATOM 115 O4 U A 4 -1.980 -0.164 -1.925 1.00 0.00 O
ATOM 116 C5 U A 4 -3.227 0.123 -3.926 1.00 0.00 C
ATOM 117 C6 U A 4 -3.260 0.688 -5.156 1.00 0.00 C
ATOM 118 H5' U A 4 -5.772 2.423 -9.203 1.00 0.00 H
ATOM 119 H5'' U A 4 -5.184 0.950 -10.000 1.00 0.00 H
ATOM 120 H4' U A 4 -3.431 2.742 -9.385 1.00 0.00 H
ATOM 121 H3' U A 4 -3.250 -0.198 -8.645 1.00 0.00 H
ATOM 122 H2' U A 4 -1.265 0.199 -7.488 1.00 0.00 H
ATOM 123 HO2' U A 4 0.087 2.022 -8.055 1.00 0.00 H
ATOM 124 H1' U A 4 -1.697 2.988 -6.948 1.00 0.00 H
ATOM 125 H3 U A 4 -0.273 1.265 -3.022 1.00 0.00 H
ATOM 126 H5 U A 4 -4.065 -0.484 -3.591 1.00 0.00 H
ATOM 127 H6 U A 4 -4.131 0.532 -5.793 1.00 0.00 H
ATOM 128 P C A 5 -1.450 -0.490 -10.820 1.00 0.00 P
ATOM 129 OP1 C A 5 -0.828 -0.087 -12.101 1.00 0.00 O
ATOM 130 OP2 C A 5 -2.302 -1.699 -10.760 1.00 0.00 O
ATOM 131 O5' C A 5 -0.285 -0.641 -9.720 1.00 0.00 O
ATOM 132 C5' C A 5 0.912 0.133 -9.823 1.00 0.00 C
ATOM 133 C4' C A 5 2.041 -0.467 -8.990 1.00 0.00 C
ATOM 134 O4' C A 5 1.897 -0.160 -7.607 1.00 0.00 O
ATOM 135 C3' C A 5 2.021 -1.981 -9.045 1.00 0.00 C
ATOM 136 O3' C A 5 2.779 -2.412 -10.178 1.00 0.00 O
ATOM 137 C2' C A 5 2.776 -2.372 -7.783 1.00 0.00 C
ATOM 138 O2' C A 5 4.179 -2.498 -8.034 1.00 0.00 O
ATOM 139 C1' C A 5 2.490 -1.211 -6.826 1.00 0.00 C
ATOM 140 N1 C A 5 1.595 -1.643 -5.736 1.00 0.00 N
ATOM 141 C2 C A 5 2.167 -1.845 -4.491 1.00 0.00 C
ATOM 142 O2 C A 5 3.369 -1.645 -4.327 1.00 0.00 O
ATOM 143 N3 C A 5 1.368 -2.267 -3.474 1.00 0.00 N
ATOM 144 C4 C A 5 0.061 -2.481 -3.670 1.00 0.00 C
ATOM 145 N4 C A 5 -0.692 -2.894 -2.650 1.00 0.00 N
ATOM 146 C5 C A 5 -0.536 -2.272 -4.955 1.00 0.00 C
ATOM 147 C6 C A 5 0.265 -1.854 -5.955 1.00 0.00 C
ATOM 148 H5' C A 5 0.713 1.147 -9.474 1.00 0.00 H
ATOM 149 H5'' C A 5 1.223 0.170 -10.867 1.00 0.00 H
ATOM 150 H4' C A 5 3.000 -0.097 -9.345 1.00 0.00 H
ATOM 151 H3' C A 5 1.004 -2.374 -9.053 1.00 0.00 H
ATOM 152 H2' C A 5 2.368 -3.301 -7.376 1.00 0.00 H
ATOM 153 HO2' C A 5 4.546 -1.612 -8.054 1.00 0.00 H
ATOM 154 H1' C A 5 3.429 -0.857 -6.401 1.00 0.00 H
ATOM 155 H41 C A 5 -0.273 -3.044 -1.740 1.00 0.00 H
ATOM 156 H42 C A 5 -1.682 -3.058 -2.785 1.00 0.00 H
ATOM 157 H5 C A 5 -1.600 -2.447 -5.119 1.00 0.00 H
ATOM 158 H6 C A 5 -0.154 -1.683 -6.947 1.00 0.00 H
ATOM 159 P U A 6 2.600 -3.905 -10.758 1.00 0.00 P
ATOM 160 OP1 U A 6 3.615 -4.117 -11.814 1.00 0.00 O
ATOM 161 OP2 U A 6 1.166 -4.117 -11.059 1.00 0.00 O
ATOM 162 O5' U A 6 2.990 -4.823 -9.494 1.00 0.00 O
ATOM 163 C5' U A 6 4.302 -4.753 -8.933 1.00 0.00 C
ATOM 164 C4' U A 6 4.360 -5.381 -7.544 1.00 0.00 C
ATOM 165 O4' U A 6 3.196 -5.087 -6.781 1.00 0.00 O
ATOM 166 C3' U A 6 4.391 -6.892 -7.629 1.00 0.00 C
ATOM 167 O3' U A 6 5.755 -7.310 -7.723 1.00 0.00 O
ATOM 168 C2' U A 6 3.843 -7.331 -6.277 1.00 0.00 C
ATOM 169 O2' U A 6 4.901 -7.570 -5.342 1.00 0.00 O
ATOM 170 C1' U A 6 2.968 -6.148 -5.841 1.00 0.00 C
ATOM 171 N1 U A 6 1.544 -6.535 -5.810 1.00 0.00 N
ATOM 172 C2 U A 6 1.116 -7.307 -4.746 1.00 0.00 C
ATOM 173 O2 U A 6 1.875 -7.655 -3.845 1.00 0.00 O
ATOM 174 N3 U A 6 -0.220 -7.666 -4.753 1.00 0.00 N
ATOM 175 C4 U A 6 -1.152 -7.324 -5.718 1.00 0.00 C
ATOM 176 O4 U A 6 -2.318 -7.701 -5.625 1.00 0.00 O
ATOM 177 C5 U A 6 -0.618 -6.516 -6.791 1.00 0.00 C
ATOM 178 C6 U A 6 0.688 -6.153 -6.806 1.00 0.00 C
ATOM 179 H5' U A 6 4.604 -3.708 -8.863 1.00 0.00 H
ATOM 180 H5'' U A 6 4.995 -5.280 -9.589 1.00 0.00 H
ATOM 181 H4' U A 6 5.240 -5.023 -7.014 1.00 0.00 H
ATOM 182 H3' U A 6 3.787 -7.267 -8.456 1.00 0.00 H
ATOM 183 H2' U A 6 3.227 -8.224 -6.399 1.00 0.00 H
ATOM 184 HO2' U A 6 5.052 -6.751 -4.864 1.00 0.00 H
ATOM 185 H1' U A 6 3.273 -5.821 -4.847 1.00 0.00 H
ATOM 186 H3 U A 6 -0.546 -8.231 -3.982 1.00 0.00 H
ATOM 187 H5 U A 6 -1.273 -6.196 -7.601 1.00 0.00 H
ATOM 188 H6 U A 6 1.063 -5.544 -7.627 1.00 0.00 H
ATOM 189 P C A 7 6.278 -8.099 -9.024 1.00 0.00 P
ATOM 190 OP1 C A 7 6.697 -7.101 -10.035 1.00 0.00 O
ATOM 191 OP2 C A 7 5.275 -9.128 -9.376 1.00 0.00 O
ATOM 192 O5' C A 7 7.595 -8.845 -8.477 1.00 0.00 O
ATOM 193 C5' C A 7 8.809 -8.117 -8.273 1.00 0.00 C
ATOM 194 C4' C A 7 9.449 -8.460 -6.931 1.00 0.00 C
ATOM 195 O4' C A 7 10.257 -7.380 -6.457 1.00 0.00 O
ATOM 196 C3' C A 7 8.380 -8.712 -5.864 1.00 0.00 C
ATOM 197 O3' C A 7 8.646 -9.981 -5.259 1.00 0.00 O
ATOM 198 C2' C A 7 8.606 -7.628 -4.812 1.00 0.00 C
ATOM 199 O2' C A 7 8.433 -8.142 -3.487 1.00 0.00 O
ATOM 200 C1' C A 7 10.044 -7.206 -5.059 1.00 0.00 C
ATOM 201 N1 C A 7 10.266 -5.803 -4.657 1.00 0.00 N
ATOM 202 C2 C A 7 10.414 -5.539 -3.304 1.00 0.00 C
ATOM 203 O2 C A 7 10.350 -6.455 -2.487 1.00 0.00 O
ATOM 204 N3 C A 7 10.628 -4.250 -2.918 1.00 0.00 N
ATOM 205 C4 C A 7 10.694 -3.263 -3.822 1.00 0.00 C
ATOM 206 N4 C A 7 10.906 -2.011 -3.413 1.00 0.00 N
ATOM 207 C5 C A 7 10.541 -3.533 -5.219 1.00 0.00 C
ATOM 208 C6 C A 7 10.330 -4.809 -5.590 1.00 0.00 C
ATOM 209 H5' C A 7 8.592 -7.049 -8.302 1.00 0.00 H
ATOM 210 H5'' C A 7 9.508 -8.360 -9.073 1.00 0.00 H
ATOM 211 H4' C A 7 10.067 -9.350 -7.042 1.00 0.00 H
ATOM 212 H3' C A 7 7.374 -8.665 -6.281 1.00 0.00 H
ATOM 213 H2' C A 7 7.933 -6.785 -4.993 1.00 0.00 H
ATOM 214 HO2' C A 7 7.566 -7.865 -3.183 1.00 0.00 H
ATOM 215 H1' C A 7 10.717 -7.858 -4.502 1.00 0.00 H
ATOM 216 H41 C A 7 11.015 -1.813 -2.429 1.00 0.00 H
ATOM 217 H42 C A 7 10.959 -1.262 -4.088 1.00 0.00 H
ATOM 218 H5 C A 7 10.594 -2.733 -5.957 1.00 0.00 H
ATOM 219 H6 C A 7 10.209 -5.051 -6.645 1.00 0.00 H
ATOM 220 P A A 8 7.980 -11.324 -5.847 1.00 0.00 P
ATOM 221 OP1 A A 8 8.858 -12.464 -5.503 1.00 0.00 O
ATOM 222 OP2 A A 8 7.612 -11.078 -7.259 1.00 0.00 O
ATOM 223 O5' A A 8 6.624 -11.453 -4.987 1.00 0.00 O
ATOM 224 C5' A A 8 6.459 -10.706 -3.778 1.00 0.00 C
ATOM 225 C4' A A 8 5.029 -10.794 -3.250 1.00 0.00 C
ATOM 226 O4' A A 8 4.087 -10.305 -4.216 1.00 0.00 O
ATOM 227 C3' A A 8 4.635 -12.242 -2.975 1.00 0.00 C
ATOM 228 O3' A A 8 3.666 -12.253 -1.924 1.00 0.00 O
ATOM 229 C2' A A 8 3.942 -12.660 -4.259 1.00 0.00 C
ATOM 230 O2' A A 8 3.009 -13.725 -4.035 1.00 0.00 O
ATOM 231 C1' A A 8 3.240 -11.374 -4.666 1.00 0.00 C
ATOM 232 N9 A A 8 3.038 -11.319 -6.126 1.00 0.00 N
ATOM 233 C8 A A 8 3.947 -11.224 -7.128 1.00 0.00 C
ATOM 234 N7 A A 8 3.499 -11.208 -8.340 1.00 0.00 N
ATOM 235 C5 A A 8 2.119 -11.304 -8.131 1.00 0.00 C
ATOM 236 C6 A A 8 1.027 -11.341 -9.006 1.00 0.00 C
ATOM 237 N6 A A 8 1.153 -11.285 -10.333 1.00 0.00 N
ATOM 238 N1 A A 8 -0.200 -11.439 -8.462 1.00 0.00 N
ATOM 239 C2 A A 8 -0.348 -11.497 -7.137 1.00 0.00 C
ATOM 240 N3 A A 8 0.613 -11.470 -6.219 1.00 0.00 N
ATOM 241 C4 A A 8 1.832 -11.372 -6.787 1.00 0.00 C
ATOM 242 H5' A A 8 6.703 -9.661 -3.971 1.00 0.00 H
ATOM 243 H5'' A A 8 7.141 -11.097 -3.023 1.00 0.00 H
ATOM 244 H4' A A 8 4.946 -10.210 -2.332 1.00 0.00 H
ATOM 245 H3' A A 8 5.499 -12.868 -2.751 1.00 0.00 H
ATOM 246 H2' A A 8 4.684 -12.939 -5.012 1.00 0.00 H
ATOM 247 HO2' A A 8 2.663 -13.620 -3.146 1.00 0.00 H
ATOM 248 H1' A A 8 2.272 -11.313 -4.165 1.00 0.00 H
ATOM 249 H8 A A 8 5.015 -11.164 -6.919 1.00 0.00 H
ATOM 250 H61 A A 8 0.331 -11.316 -10.919 1.00 0.00 H
ATOM 251 H62 A A 8 2.069 -11.212 -10.750 1.00 0.00 H
ATOM 252 H2 A A 8 -1.370 -11.575 -6.766 1.00 0.00 H
ATOM 253 P G A 9 4.106 -12.538 -0.401 1.00 0.00 P
ATOM 254 OP1 G A 9 5.256 -13.471 -0.417 1.00 0.00 O
ATOM 255 OP2 G A 9 2.893 -12.874 0.376 1.00 0.00 O
ATOM 256 O5' G A 9 4.632 -11.097 0.086 1.00 0.00 O
ATOM 257 C5' G A 9 3.981 -10.411 1.159 1.00 0.00 C
ATOM 258 C4' G A 9 4.964 -10.083 2.287 1.00 0.00 C
ATOM 259 O4' G A 9 6.294 -10.003 1.766 1.00 0.00 O
ATOM 260 C3' G A 9 4.655 -8.732 2.946 1.00 0.00 C
ATOM 261 O3' G A 9 4.248 -8.989 4.294 1.00 0.00 O
ATOM 262 C2' G A 9 6.005 -8.008 3.023 1.00 0.00 C
ATOM 263 O2' G A 9 6.585 -8.136 4.326 1.00 0.00 O
ATOM 264 C1' G A 9 6.858 -8.706 1.979 1.00 0.00 C
ATOM 265 N9 G A 9 6.912 -7.918 0.730 1.00 0.00 N
ATOM 266 C8 G A 9 7.921 -7.158 0.244 1.00 0.00 C
ATOM 267 N7 G A 9 7.730 -6.550 -0.877 1.00 0.00 N
ATOM 268 C5 G A 9 6.428 -6.942 -1.195 1.00 0.00 C
ATOM 269 C6 G A 9 5.627 -6.607 -2.320 1.00 0.00 C
ATOM 270 O6 G A 9 5.915 -5.887 -3.273 1.00 0.00 O
ATOM 271 N1 G A 9 4.379 -7.213 -2.256 1.00 0.00 N
ATOM 272 C2 G A 9 3.949 -8.039 -1.238 1.00 0.00 C
ATOM 273 N2 G A 9 2.713 -8.527 -1.356 1.00 0.00 N
ATOM 274 N3 G A 9 4.696 -8.359 -0.176 1.00 0.00 N
ATOM 275 C4 G A 9 5.917 -7.782 -0.216 1.00 0.00 C
ATOM 276 H5' G A 9 3.184 -11.042 1.552 1.00 0.00 H
ATOM 277 H5'' G A 9 3.547 -9.490 0.772 1.00 0.00 H
ATOM 278 H4' G A 9 4.923 -10.870 3.039 1.00 0.00 H
ATOM 279 H3' G A 9 3.903 -8.162 2.397 1.00 0.00 H
ATOM 280 H2' G A 9 5.894 -6.949 2.758 1.00 0.00 H
ATOM 281 HO2' G A 9 5.901 -8.464 4.913 1.00 0.00 H
ATOM 282 H1' G A 9 7.870 -8.819 2.368 1.00 0.00 H
ATOM 283 H8 G A 9 8.860 -7.062 0.787 1.00 0.00 H
ATOM 284 H1 G A 9 3.753 -7.021 -3.025 1.00 0.00 H
ATOM 285 H21 G A 9 2.149 -8.285 -2.158 1.00 0.00 H
ATOM 286 H22 G A 9 2.341 -9.139 -0.643 1.00 0.00 H
ATOM 287 P U A 10 2.707 -8.813 4.728 1.00 0.00 P
ATOM 288 OP1 U A 10 2.233 -10.100 5.285 1.00 0.00 O
ATOM 289 OP2 U A 10 1.978 -8.183 3.604 1.00 0.00 O
ATOM 290 O5' U A 10 2.796 -7.747 5.931 1.00 0.00 O
ATOM 291 C5' U A 10 1.605 -7.195 6.501 1.00 0.00 C
ATOM 292 C4' U A 10 1.691 -5.677 6.617 1.00 0.00 C
ATOM 293 O4' U A 10 0.387 -5.084 6.637 1.00 0.00 O
ATOM 294 C3' U A 10 2.364 -5.264 7.919 1.00 0.00 C
ATOM 295 O3' U A 10 3.013 -4.008 7.706 1.00 0.00 O
ATOM 296 C2' U A 10 1.195 -5.040 8.865 1.00 0.00 C
ATOM 297 O2' U A 10 1.518 -4.081 9.878 1.00 0.00 O
ATOM 298 C1' U A 10 0.115 -4.517 7.927 1.00 0.00 C
ATOM 299 N1 U A 10 -1.226 -4.908 8.395 1.00 0.00 N
ATOM 300 C2 U A 10 -1.991 -3.941 9.019 1.00 0.00 C
ATOM 301 O2 U A 10 -1.582 -2.796 9.193 1.00 0.00 O
ATOM 302 N3 U A 10 -3.248 -4.339 9.436 1.00 0.00 N
ATOM 303 C4 U A 10 -3.796 -5.602 9.286 1.00 0.00 C
ATOM 304 O4 U A 10 -4.929 -5.845 9.697 1.00 0.00 O
ATOM 305 C5 U A 10 -2.925 -6.546 8.625 1.00 0.00 C
ATOM 306 C6 U A 10 -1.691 -6.180 8.208 1.00 0.00 C
ATOM 307 H5' U A 10 1.457 -7.621 7.494 1.00 0.00 H
ATOM 308 H5'' U A 10 0.755 -7.457 5.871 1.00 0.00 H
ATOM 309 H4' U A 10 2.252 -5.279 5.776 1.00 0.00 H
ATOM 310 H3' U A 10 3.055 -6.027 8.284 1.00 0.00 H
ATOM 311 H2' U A 10 0.874 -5.988 9.310 1.00 0.00 H
ATOM 312 HO2' U A 10 0.691 -3.710 10.194 1.00 0.00 H
ATOM 313 H1' U A 10 0.177 -3.431 7.869 1.00 0.00 H
ATOM 314 H3 U A 10 -3.820 -3.643 9.893 1.00 0.00 H
ATOM 315 H5 U A 10 -3.265 -7.567 8.458 1.00 0.00 H
ATOM 316 H6 U A 10 -1.055 -6.913 7.712 1.00 0.00 H
ATOM 317 P G A 11 4.336 -3.622 8.538 1.00 0.00 P
ATOM 318 OP1 G A 11 4.841 -4.846 9.200 1.00 0.00 O
ATOM 319 OP2 G A 11 4.043 -2.415 9.343 1.00 0.00 O
ATOM 320 O5' G A 11 5.374 -3.212 7.377 1.00 0.00 O
ATOM 321 C5' G A 11 4.906 -2.701 6.125 1.00 0.00 C
ATOM 322 C4' G A 11 6.027 -2.643 5.093 1.00 0.00 C
ATOM 323 O4' G A 11 6.074 -3.843 4.304 1.00 0.00 O
ATOM 324 C3' G A 11 5.810 -1.507 4.102 1.00 0.00 C
ATOM 325 O3' G A 11 6.540 -0.362 4.550 1.00 0.00 O
ATOM 326 C2' G A 11 6.467 -2.042 2.846 1.00 0.00 C
ATOM 327 O2' G A 11 7.890 -1.883 2.885 1.00 0.00 O
ATOM 328 C1' G A 11 6.064 -3.503 2.909 1.00 0.00 C
ATOM 329 N9 G A 11 4.723 -3.698 2.326 1.00 0.00 N
ATOM 330 C8 G A 11 3.594 -4.183 2.898 1.00 0.00 C
ATOM 331 N7 G A 11 2.523 -4.213 2.178 1.00 0.00 N
ATOM 332 C5 G A 11 2.979 -3.684 0.967 1.00 0.00 C
ATOM 333 C6 G A 11 2.276 -3.450 -0.245 1.00 0.00 C
ATOM 334 O6 G A 11 1.092 -3.666 -0.493 1.00 0.00 O
ATOM 335 N1 G A 11 3.104 -2.907 -1.218 1.00 0.00 N
ATOM 336 C2 G A 11 4.445 -2.621 -1.052 1.00 0.00 C
ATOM 337 N2 G A 11 5.072 -2.103 -2.108 1.00 0.00 N
ATOM 338 N3 G A 11 5.114 -2.837 0.085 1.00 0.00 N
ATOM 339 C4 G A 11 4.327 -3.367 1.049 1.00 0.00 C
ATOM 340 H5' G A 11 4.509 -1.697 6.277 1.00 0.00 H
ATOM 341 H5'' G A 11 4.111 -3.346 5.752 1.00 0.00 H
ATOM 342 H4' G A 11 6.982 -2.509 5.599 1.00 0.00 H
ATOM 343 H3' G A 11 4.752 -1.292 3.950 1.00 0.00 H
ATOM 344 H2' G A 11 6.040 -1.570 1.958 1.00 0.00 H
ATOM 345 HO2' G A 11 8.197 -2.272 3.707 1.00 0.00 H
ATOM 346 H1' G A 11 6.792 -4.111 2.374 1.00 0.00 H
ATOM 347 H8 G A 11 3.590 -4.535 3.929 1.00 0.00 H
ATOM 348 H1 G A 11 2.672 -2.713 -2.110 1.00 0.00 H
ATOM 349 H21 G A 11 4.565 -1.940 -2.967 1.00 0.00 H
ATOM 350 H22 G A 11 6.053 -1.874 -2.050 1.00 0.00 H
ATOM 351 P A A 12 5.757 0.971 5.002 1.00 0.00 P
ATOM 352 OP1 A A 12 6.560 1.648 6.044 1.00 0.00 O
ATOM 353 OP2 A A 12 4.348 0.609 5.275 1.00 0.00 O
ATOM 354 O5' A A 12 5.796 1.874 3.669 1.00 0.00 O
ATOM 355 C5' A A 12 6.936 2.689 3.382 1.00 0.00 C
ATOM 356 C4' A A 12 7.142 2.863 1.880 1.00 0.00 C
ATOM 357 O4' A A 12 6.874 1.647 1.176 1.00 0.00 O
ATOM 358 C3' A A 12 6.177 3.883 1.299 1.00 0.00 C
ATOM 359 O3' A A 12 6.795 5.173 1.341 1.00 0.00 O
ATOM 360 C2' A A 12 6.079 3.446 -0.155 1.00 0.00 C
ATOM 361 O2' A A 12 7.161 3.970 -0.933 1.00 0.00 O
ATOM 362 C1' A A 12 6.161 1.931 -0.041 1.00 0.00 C
ATOM 363 N9 A A 12 4.811 1.338 -0.022 1.00 0.00 N
ATOM 364 C8 A A 12 4.245 0.495 0.875 1.00 0.00 C
ATOM 365 N7 A A 12 3.042 0.091 0.637 1.00 0.00 N
ATOM 366 C5 A A 12 2.760 0.742 -0.568 1.00 0.00 C
ATOM 367 C6 A A 12 1.634 0.755 -1.396 1.00 0.00 C
ATOM 368 N6 A A 12 0.528 0.060 -1.132 1.00 0.00 N
ATOM 369 N1 A A 12 1.693 1.507 -2.510 1.00 0.00 N
ATOM 370 C2 A A 12 2.794 2.206 -2.795 1.00 0.00 C
ATOM 371 N3 A A 12 3.914 2.264 -2.083 1.00 0.00 N
ATOM 372 C4 A A 12 3.831 1.503 -0.974 1.00 0.00 C
ATOM 373 H5' A A 12 7.824 2.222 3.811 1.00 0.00 H
ATOM 374 H5'' A A 12 6.796 3.669 3.838 1.00 0.00 H
ATOM 375 H4' A A 12 8.167 3.174 1.683 1.00 0.00 H
ATOM 376 H3' A A 12 5.210 3.865 1.809 1.00 0.00 H
ATOM 377 H2' A A 12 5.115 3.736 -0.581 1.00 0.00 H
ATOM 378 HO2' A A 12 7.174 3.489 -1.764 1.00 0.00 H
ATOM 379 H1' A A 12 6.719 1.532 -0.888 1.00 0.00 H
ATOM 380 H8 A A 12 4.782 0.174 1.766 1.00 0.00 H
ATOM 381 H61 A A 12 -0.255 0.100 -1.764 1.00 0.00 H
ATOM 382 H62 A A 12 0.475 -0.507 -0.299 1.00 0.00 H
ATOM 383 H2 A A 12 2.771 2.795 -3.712 1.00 0.00 H
ATOM 384 P G A 13 5.933 6.480 1.722 1.00 0.00 P
ATOM 385 OP1 G A 13 6.873 7.561 2.095 1.00 0.00 O
ATOM 386 OP2 G A 13 4.864 6.074 2.662 1.00 0.00 O
ATOM 387 O5' G A 13 5.246 6.876 0.319 1.00 0.00 O
ATOM 388 C5' G A 13 5.879 7.807 -0.562 1.00 0.00 C
ATOM 389 C4' G A 13 5.138 7.921 -1.892 1.00 0.00 C
ATOM 390 O4' G A 13 4.782 6.632 -2.405 1.00 0.00 O
ATOM 391 C3' G A 13 3.826 8.675 -1.729 1.00 0.00 C
ATOM 392 O3' G A 13 4.053 10.055 -2.027 1.00 0.00 O
ATOM 393 C2' G A 13 2.958 8.084 -2.823 1.00 0.00 C
ATOM 394 O2' G A 13 3.194 8.715 -4.087 1.00 0.00 O
ATOM 395 C1' G A 13 3.409 6.632 -2.832 1.00 0.00 C
ATOM 396 N9 G A 13 2.573 5.826 -1.925 1.00 0.00 N
ATOM 397 C8 G A 13 2.868 5.310 -0.708 1.00 0.00 C
ATOM 398 N7 G A 13 1.946 4.642 -0.101 1.00 0.00 N
ATOM 399 C5 G A 13 0.893 4.712 -1.018 1.00 0.00 C
ATOM 400 C6 G A 13 -0.417 4.170 -0.942 1.00 0.00 C
ATOM 401 O6 G A 13 -0.917 3.509 -0.035 1.00 0.00 O
ATOM 402 N1 G A 13 -1.160 4.472 -2.076 1.00 0.00 N
ATOM 403 C2 G A 13 -0.703 5.204 -3.154 1.00 0.00 C
ATOM 404 N2 G A 13 -1.568 5.388 -4.150 1.00 0.00 N
ATOM 405 N3 G A 13 0.528 5.718 -3.234 1.00 0.00 N
ATOM 406 C4 G A 13 1.270 5.437 -2.139 1.00 0.00 C
ATOM 407 H5' G A 13 6.901 7.479 -0.752 1.00 0.00 H
ATOM 408 H5'' G A 13 5.904 8.787 -0.084 1.00 0.00 H
ATOM 409 H4' G A 13 5.766 8.436 -2.618 1.00 0.00 H
ATOM 410 H3' G A 13 3.392 8.531 -0.740 1.00 0.00 H
ATOM 411 H2' G A 13 1.903 8.145 -2.543 1.00 0.00 H
ATOM 412 HO2' G A 13 3.781 9.458 -3.930 1.00 0.00 H
ATOM 413 H1' G A 13 3.339 6.235 -3.844 1.00 0.00 H
ATOM 414 H8 G A 13 3.845 5.462 -0.253 1.00 0.00 H
ATOM 415 H1 G A 13 -2.105 4.119 -2.093 1.00 0.00 H
ATOM 416 H21 G A 13 -2.498 5.000 -4.089 1.00 0.00 H
ATOM 417 H22 G A 13 -1.294 5.915 -4.966 1.00 0.00 H
ATOM 418 P C A 14 3.280 11.204 -1.204 1.00 0.00 P
ATOM 419 OP1 C A 14 3.951 12.496 -1.470 1.00 0.00 O
ATOM 420 OP2 C A 14 3.104 10.737 0.189 1.00 0.00 O
ATOM 421 O5' C A 14 1.834 11.231 -1.912 1.00 0.00 O
ATOM 422 C5' C A 14 1.667 11.844 -3.194 1.00 0.00 C
ATOM 423 C4' C A 14 0.401 11.356 -3.892 1.00 0.00 C
ATOM 424 O4' C A 14 0.203 9.955 -3.697 1.00 0.00 O
ATOM 425 C3' C A 14 -0.834 12.022 -3.316 1.00 0.00 C
ATOM 426 O3' C A 14 -1.102 13.205 -4.074 1.00 0.00 O
ATOM 427 C2' C A 14 -1.933 11.012 -3.598 1.00 0.00 C
ATOM 428 O2' C A 14 -2.514 11.221 -4.891 1.00 0.00 O
ATOM 429 C1' C A 14 -1.196 9.674 -3.525 1.00 0.00 C
ATOM 430 N1 C A 14 -1.444 9.008 -2.232 1.00 0.00 N
ATOM 431 C2 C A 14 -2.687 8.423 -2.044 1.00 0.00 C
ATOM 432 O2 C A 14 -3.527 8.464 -2.939 1.00 0.00 O
ATOM 433 N3 C A 14 -2.941 7.814 -0.854 1.00 0.00 N
ATOM 434 C4 C A 14 -2.014 7.779 0.113 1.00 0.00 C
ATOM 435 N4 C A 14 -2.297 7.177 1.268 1.00 0.00 N
ATOM 436 C5 C A 14 -0.730 8.380 -0.076 1.00 0.00 C
ATOM 437 C6 C A 14 -0.488 8.981 -1.258 1.00 0.00 C
ATOM 438 H5' C A 14 2.530 11.607 -3.816 1.00 0.00 H
ATOM 439 H5'' C A 14 1.608 12.925 -3.065 1.00 0.00 H
ATOM 440 H4' C A 14 0.467 11.566 -4.959 1.00 0.00 H
ATOM 441 H3' C A 14 -0.730 12.228 -2.250 1.00 0.00 H
ATOM 442 H2' C A 14 -2.696 11.062 -2.817 1.00 0.00 H
ATOM 443 HO2' C A 14 -2.802 10.365 -5.216 1.00 0.00 H
ATOM 444 H1' C A 14 -1.537 9.029 -4.334 1.00 0.00 H
ATOM 445 H41 C A 14 -3.204 6.749 1.406 1.00 0.00 H
ATOM 446 H42 C A 14 -1.605 7.147 2.006 1.00 0.00 H
ATOM 447 H5 C A 14 0.025 8.354 0.708 1.00 0.00 H
ATOM 448 H6 C A 14 0.481 9.448 -1.438 1.00 0.00 H
ATOM 449 P C A 15 -1.995 14.390 -3.450 1.00 0.00 P
ATOM 450 OP1 C A 15 -1.939 15.547 -4.371 1.00 0.00 O
ATOM 451 OP2 C A 15 -1.615 14.559 -2.030 1.00 0.00 O
ATOM 452 O5' C A 15 -3.481 13.774 -3.505 1.00 0.00 O
ATOM 453 C5' C A 15 -4.037 13.330 -4.745 1.00 0.00 C
ATOM 454 C4' C A 15 -5.523 13.013 -4.610 1.00 0.00 C
ATOM 455 O4' C A 15 -5.725 11.735 -4.000 1.00 0.00 O
ATOM 456 C3' C A 15 -6.215 14.027 -3.710 1.00 0.00 C
ATOM 457 O3' C A 15 -6.712 15.141 -4.460 1.00 0.00 O
ATOM 458 C2' C A 15 -7.345 13.213 -3.109 1.00 0.00 C
ATOM 459 O2' C A 15 -8.492 13.194 -3.967 1.00 0.00 O
ATOM 460 C1' C A 15 -6.724 11.828 -2.976 1.00 0.00 C
ATOM 461 N1 C A 15 -6.131 11.640 -1.639 1.00 0.00 N
ATOM 462 C2 C A 15 -6.877 10.939 -0.706 1.00 0.00 C
ATOM 463 O2 C A 15 -7.986 10.504 -1.005 1.00 0.00 O
ATOM 464 N3 C A 15 -6.349 10.752 0.534 1.00 0.00 N
ATOM 465 C4 C A 15 -5.139 11.234 0.846 1.00 0.00 C
ATOM 466 N4 C A 15 -4.652 11.033 2.069 1.00 0.00 N
ATOM 467 C5 C A 15 -4.365 11.959 -0.115 1.00 0.00 C
ATOM 468 C6 C A 15 -4.897 12.138 -1.340 1.00 0.00 C
ATOM 469 H5' C A 15 -3.511 12.432 -5.070 1.00 0.00 H
ATOM 470 H5'' C A 15 -3.907 14.111 -5.494 1.00 0.00 H
ATOM 471 H4' C A 15 -5.990 13.020 -5.594 1.00 0.00 H
ATOM 472 H3' C A 15 -5.532 14.359 -2.924 1.00 0.00 H
ATOM 473 HO3' C A 15 -5.998 15.447 -5.024 1.00 0.00 H
ATOM 474 H2' C A 15 -7.604 13.603 -2.121 1.00 0.00 H
ATOM 475 HO2' C A 15 -8.269 13.700 -4.751 1.00 0.00 H
ATOM 476 H1' C A 15 -7.488 11.070 -3.145 1.00 0.00 H
ATOM 477 H41 C A 15 -5.198 10.524 2.752 1.00 0.00 H
ATOM 478 H42 C A 15 -3.737 11.390 2.314 1.00 0.00 H
ATOM 479 H5 C A 15 -3.379 12.353 0.135 1.00 0.00 H
ATOM 480 H6 C A 15 -4.336 12.685 -2.098 1.00 0.00 H
TER 481 C A 15
ENDMDL
MASTER 8 0 0 0 0 0 0 6 316 1 0 2
END