* 5'-CGCGAATTCGCG-3' GENERATED COORDINATES, ALL-HYDROGEN * |||||||||||| * 3'-GCGCTTAAGCGC-5' * /USR/BEACON1/ALEX/PARAM/TOPPAR_JAN94/TOP_ALL22_NA_B6B.INP * /USR/BEACON1/ALEX/PARAM/TOPPAR_JAN94/PAR_ALL22_NA_B6B.INP * DATE: 8/25/94 9:11: 0 CREATED BY USER: * 758 1 1 CYT H5T 20.64489 8.24226 3.13636 DNA1 1 0.00000 2 1 CYT O5' 20.12946 8.18526 2.32848 DNA1 1 0.00000 3 1 CYT C5' 21.06144 8.41821 1.24254 DNA1 1 0.00000 4 1 CYT H5' 21.80074 7.58924 1.21897 DNA1 1 0.00000 5 1 CYT H5'' 21.44458 9.45858 1.31432 DNA1 1 0.00000 6 1 CYT C4' 20.33358 8.34699 -0.07994 DNA1 1 0.00000 7 1 CYT H4' 20.91865 8.83779 -0.88687 DNA1 1 0.00000 8 1 CYT O4' 20.17578 6.94093 -0.45253 DNA1 1 0.00000 9 1 CYT C1' 18.82953 6.54607 -0.27267 DNA1 1 0.00000 10 1 CYT H1' 18.43845 6.33474 -1.29087 DNA1 1 0.00000 11 1 CYT N1 18.82518 5.31891 0.56945 DNA1 1 0.00000 12 1 CYT C6 18.92258 5.39052 1.92038 DNA1 1 0.00000 13 1 CYT H6 19.00734 6.38817 2.35118 DNA1 1 0.00000 14 1 CYT C2 18.72086 4.08885 -0.07481 DNA1 1 0.00000 15 1 CYT O2 18.63172 4.06396 -1.30922 DNA1 1 0.00000 16 1 CYT N3 18.71476 2.90862 0.86942 DNA1 1 0.00000 17 1 CYT C4 18.81075 3.01817 2.00814 DNA1 1 0.00000 18 1 CYT N4 18.80291 1.88454 2.69082 DNA1 1 0.00000 19 1 CYT H41 18.71566 1.01275 2.18836 DNA1 1 0.00000 20 1 CYT H42 18.88271 1.88837 3.69766 DNA1 1 0.00000 21 1 CYT C5 18.91427 4.26963 2.69268 DNA1 1 0.00000 22 1 CYT H5 18.98044 4.26724 3.78067 DNA1 1 0.00000 23 1 CYT C2' 18.07548 7.71636 0.34521 DNA1 1 0.00000 24 1 CYT H2'' 18.11590 7.61625 1.45095 DNA1 1 0.00000 25 1 CYT H2' 17.06518 7.76567 -0.11435 DNA1 1 0.00000 26 1 CYT C3' 18.91186 8.90442 -0.10281 DNA1 1 0.00000 27 1 CYT H3' 18.80453 9.70792 0.65692 DNA1 1 0.00000 28 1 CYT O3' 18.50703 9.29579 -1.41213 DNA1 1 0.00000 29 2 GUA P 16.95484 9.32575 -1.77611 DNA1 2 0.00000 30 2 GUA O1P 16.69516 10.38770 -2.76689 DNA1 2 0.00000 31 2 GUA O2P 16.16158 9.39851 -0.52511 DNA1 2 0.00000 32 2 GUA O5' 16.75801 7.89270 -2.44534 DNA1 2 0.00000 33 2 GUA C5' 17.71515 7.44963 -3.44059 DNA1 2 0.00000 34 2 GUA H5' 18.45394 6.76821 -2.96710 DNA1 2 0.00000 35 2 GUA H5'' 18.11145 8.32929 -3.99145 DNA1 2 0.00000 36 2 GUA C4' 17.01589 6.61026 -4.48596 DNA1 2 0.00000 37 2 GUA H4' 17.62125 6.53699 -5.41466 DNA1 2 0.00000 38 2 GUA O4' 16.85628 5.25275 -3.96418 DNA1 2 0.00000 39 2 GUA C1' 15.50366 5.02916 -3.61531 DNA1 2 0.00000 40 2 GUA H1' 15.13318 4.25681 -4.32280 DNA1 2 0.00000 41 2 GUA N9 15.47220 4.53008 -2.21419 DNA1 2 0.00000 42 2 GUA C4 15.38127 3.20934 -1.83815 DNA1 2 0.00000 43 2 GUA N3 15.30060 2.15038 -2.68761 DNA1 2 0.00000 44 2 GUA C2 15.21370 0.99002 -2.04197 DNA1 2 0.00000 45 2 GUA N1 15.21780 0.87997 -0.66714 DNA1 2 0.00000 46 2 GUA H1 15.15764 -0.06733 -0.26727 DNA1 2 0.00000 47 2 GUA N2 15.12625 -0.15534 -2.72531 DNA1 2 0.00000 48 2 GUA H21 15.05627 -1.08750 -2.34284 DNA1 2 0.00000 49 2 GUA H22 15.13061 -0.08064 -3.73254 DNA1 2 0.00000 50 2 GUA C6 15.29768 1.96004 0.22981 DNA1 2 0.00000 51 2 GUA O6 15.28568 1.74462 1.44081 DNA1 2 0.00000 52 2 GUA C5 15.38182 3.19437 -0.45476 DNA1 2 0.00000 53 2 GUA N7 15.47348 4.49554 0.04000 DNA1 2 0.00000 54 2 GUA C8 15.52580 5.24078 -1.03341 DNA1 2 0.00000 55 2 GUA H8 15.60465 6.32735 -1.06884 DNA1 2 0.00000 56 2 GUA C2' 14.74462 6.33328 -3.81976 DNA1 2 0.00000 57 2 GUA H2'' 14.75993 6.90233 -2.86568 DNA1 2 0.00000 58 2 GUA H2' 13.74509 6.09578 -4.24266 DNA1 2 0.00000 59 2 GUA C3' 15.59902 7.03739 -4.86189 DNA1 2 0.00000 60 2 GUA H3' 15.48063 8.13310 -4.72143 DNA1 2 0.00000 61 2 GUA O3' 15.22567 6.58283 -6.15955 DNA1 2 0.00000 62 3 CYT P 13.68206 6.38240 -6.50562 DNA1 3 0.00000 63 3 CYT O1P 13.45166 6.65770 -7.93729 DNA1 3 0.00000 64 3 CYT O2P 12.86220 7.16980 -5.55333 DNA1 3 0.00000 65 3 CYT O5' 13.48978 4.82727 -6.21048 DNA1 3 0.00000 66 3 CYT C5' 14.46526 3.89144 -6.73459 DNA1 3 0.00000 67 3 CYT H5' 15.18899 3.62366 -5.93532 DNA1 3 0.00000 68 3 CYT H5'' 14.87933 4.28268 -7.68842 DNA1 3 0.00000 69 3 CYT C4' 13.78304 2.59424 -7.10172 DNA1 3 0.00000 70 3 CYT H4' 14.40857 1.99445 -7.79691 DNA1 3 0.00000 71 3 CYT O4' 13.60246 1.80015 -5.88603 DNA1 3 0.00000 72 3 CYT C1' 12.24098 1.81455 -5.50257 DNA1 3 0.00000 73 3 CYT H1' 11.88066 0.77130 -5.62954 DNA1 3 0.00000 74 3 CYT N1 12.17534 2.23371 -4.07661 DNA1 3 0.00000 75 3 CYT C6 12.22666 3.54324 -3.72302 DNA1 3 0.00000 76 3 CYT H6 12.32171 4.26414 -4.53504 DNA1 3 0.00000 77 3 CYT C2 12.06233 1.23719 -3.10983 DNA1 3 0.00000 78 3 CYT O2 12.01628 0.05483 -3.47135 DNA1 3 0.00000 79 3 CYT N3 11.99248 1.76948 -1.69679 DNA1 3 0.00000 80 3 CYT C4 12.05091 2.88817 -1.44611 DNA1 3 0.00000 81 3 CYT N4 11.98983 3.18471 -0.15750 DNA1 3 0.00000 82 3 CYT H41 11.89815 2.43430 0.51226 DNA1 3 0.00000 83 3 CYT H42 12.03397 4.14467 0.15337 DNA1 3 0.00000 84 3 CYT C5 12.16225 3.92936 -2.41997 DNA1 3 0.00000 85 3 CYT H5 12.18979 4.96428 -2.07896 DNA1 3 0.00000 86 3 CYT C2' 11.49586 2.74477 -6.45102 DNA1 3 0.00000 87 3 CYT H2'' 11.49414 3.76572 -6.01285 DNA1 3 0.00000 88 3 CYT H2' 10.50424 2.29697 -6.67570 DNA1 3 0.00000 89 3 CYT C3' 12.37780 2.70895 -7.68872 DNA1 3 0.00000 90 3 CYT H3' 12.26433 3.67741 -8.22119 DNA1 3 0.00000 91 3 CYT O3' 12.02975 1.57488 -8.47920 DNA1 3 0.00000 92 4 GUA P 10.49268 1.19863 -8.67498 DNA1 4 0.00000 93 4 GUA O1P 10.29558 0.57926 -10.00064 DNA1 4 0.00000 94 4 GUA O2P 9.65780 2.38973 -8.38590 DNA1 4 0.00000 95 4 GUA O5' 10.28293 0.11259 -7.52707 DNA1 4 0.00000 96 4 GUA C5' 11.26297 -0.94540 -7.38104 DNA1 4 0.00000 97 4 GUA H5' 11.96804 -0.68734 -6.56214 DNA1 4 0.00000 98 4 GUA H5'' 11.69944 -1.18623 -8.37392 DNA1 4 0.00000 99 4 GUA C4' 10.57979 -2.21677 -6.92967 DNA1 4 0.00000 100 4 GUA H4' 11.21534 -3.10668 -7.12578 DNA1 4 0.00000 101 4 GUA O4' 10.36701 -2.14608 -5.48450 DNA1 4 0.00000 102 4 GUA C1' 8.99761 -1.91889 -5.21209 DNA1 4 0.00000 103 4 GUA H1' 8.63287 -2.84029 -4.70980 DNA1 4 0.00000 104 4 GUA N9 8.90377 -0.74206 -4.30571 DNA1 4 0.00000 105 4 GUA C4 8.76571 -0.79685 -2.93760 DNA1 4 0.00000 106 4 GUA N3 8.68798 -1.93461 -2.19668 DNA1 4 0.00000 107 4 GUA C2 8.54854 -1.68365 -0.89702 DNA1 4 0.00000 108 4 GUA N1 8.50111 -0.40933 -0.36733 DNA1 4 0.00000 109 4 GUA H1 8.40243 -0.32407 0.65438 DNA1 4 0.00000 110 4 GUA N2 8.45588 -2.68902 -0.02251 DNA1 4 0.00000 111 4 GUA H21 8.34854 -2.61546 0.97907 DNA1 4 0.00000 112 4 GUA H22 8.49764 -3.62332 -0.40387 DNA1 4 0.00000 113 4 GUA C6 8.57696 0.77911 -1.11342 DNA1 4 0.00000 114 4 GUA O6 8.51660 1.86293 -0.53504 DNA1 4 0.00000 115 4 GUA C5 8.71696 0.51290 -2.49586 DNA1 4 0.00000 116 4 GUA N7 8.82440 1.39019 -3.57624 DNA1 4 0.00000 117 4 GUA C8 8.93379 0.60205 -4.61493 DNA1 4 0.00000 118 4 GUA H8 9.04164 0.90726 -5.65575 DNA1 4 0.00000 119 4 GUA C2' 8.28004 -1.72862 -6.54154 DNA1 4 0.00000 120 4 GUA H2'' 8.27545 -0.64496 -6.78645 DNA1 4 0.00000 121 4 GUA H2' 7.29064 -2.23047 -6.48181 DNA1 4 0.00000 122 4 GUA C3' 9.18853 -2.47764 -7.50297 DNA1 4 0.00000 123 4 GUA H3' 9.09382 -2.00645 -8.50463 DNA1 4 0.00000 124 4 GUA O3' 8.84979 -3.86207 -7.48414 DNA1 4 0.00000 125 5 ADE P 7.31475 -4.29287 -7.45506 DNA1 5 0.00000 126 5 ADE O1P 7.14227 -5.57355 -8.16760 DNA1 5 0.00000 127 5 ADE O2P 6.48221 -3.16467 -7.93852 DNA1 5 0.00000 128 5 ADE O5' 7.07226 -4.49934 -5.89389 DNA1 5 0.00000 129 5 ADE C5' 8.04132 -5.26233 -5.13167 DNA1 5 0.00000 130 5 ADE H5' 8.72927 -4.56701 -4.60482 DNA1 5 0.00000 131 5 ADE H5'' 8.49870 -6.03719 -5.78336 DNA1 5 0.00000 132 5 ADE C4' 7.33942 -6.03101 -4.03547 DNA1 5 0.00000 133 5 ADE H4' 7.97293 -6.86179 -3.65759 DNA1 5 0.00000 134 5 ADE O4' 7.09560 -5.12628 -2.91221 DNA1 5 0.00000 135 5 ADE C1' 5.72222 -4.79222 -2.85505 DNA1 5 0.00000 136 5 ADE H1' 5.34020 -5.24558 -1.91545 DNA1 5 0.00000 137 5 ADE C5 5.40030 -1.25185 -2.12510 DNA1 5 0.00000 138 5 ADE N7 5.54791 -1.18478 -3.49939 DNA1 5 0.00000 139 5 ADE C8 5.66421 -2.42717 -3.86191 DNA1 5 0.00000 140 5 ADE H8 5.78943 -2.80015 -4.87842 DNA1 5 0.00000 141 5 ADE N9 5.61697 -3.30893 -2.81483 DNA1 5 0.00000 142 5 ADE N1 5.12837 -0.66714 0.13613 DNA1 5 0.00000 143 5 ADE C2 5.18683 -1.96898 0.40196 DNA1 5 0.00000 144 5 ADE H2 5.09070 -2.24374 1.45237 DNA1 5 0.00000 145 5 ADE N3 5.34467 -2.98321 -0.42025 DNA1 5 0.00000 146 5 ADE C4 5.44838 -2.54347 -1.68841 DNA1 5 0.00000 147 5 ADE C6 5.23328 -0.25965 -1.13694 DNA1 5 0.00000 148 5 ADE N6 5.17480 1.04263 -1.39998 DNA1 5 0.00000 149 5 ADE H61 5.05301 1.69157 -0.63568 DNA1 5 0.00000 150 5 ADE H62 5.25352 1.35270 -2.35797 DNA1 5 0.00000 151 5 ADE C2' 5.03525 -5.42396 -4.05779 DNA1 5 0.00000 152 5 ADE H2'' 5.04376 -4.69091 -4.89259 DNA1 5 0.00000 153 5 ADE H2' 4.04123 -5.80202 -3.73636 DNA1 5 0.00000 154 5 ADE C3' 5.95920 -6.58836 -4.37563 DNA1 5 0.00000 155 5 ADE H3' 5.88924 -6.79639 -5.46473 DNA1 5 0.00000 156 5 ADE O3' 5.61036 -7.70137 -3.55503 DNA1 5 0.00000 157 6 ADE P 4.07204 -8.04397 -3.31227 DNA1 6 0.00000 158 6 ADE O1P 3.90606 -9.49929 -3.13945 DNA1 6 0.00000 159 6 ADE O2P 3.25827 -7.42021 -4.38373 DNA1 6 0.00000 160 6 ADE O5' 3.79398 -7.29475 -1.93264 DNA1 6 0.00000 161 6 ADE C5' 4.74069 -7.45777 -0.84671 DNA1 6 0.00000 162 6 ADE H5' 5.42199 -6.58080 -0.81386 DNA1 6 0.00000 163 6 ADE H5'' 5.20659 -8.46445 -0.90885 DNA1 6 0.00000 164 6 ADE C4' 4.00956 -7.44086 0.47577 DNA1 6 0.00000 165 6 ADE H4' 4.62949 -7.88680 1.28271 DNA1 6 0.00000 166 6 ADE O4' 3.74766 -6.05042 0.84836 DNA1 6 0.00000 167 6 ADE C1' 2.37578 -5.75674 0.66850 DNA1 6 0.00000 168 6 ADE H1' 1.97007 -5.57507 1.68670 DNA1 6 0.00000 169 6 ADE C5 2.06315 -2.46585 -0.82861 DNA1 6 0.00000 170 6 ADE N7 2.24120 -3.21648 -1.97664 DNA1 6 0.00000 171 6 ADE C8 2.35657 -4.43408 -1.53624 DNA1 6 0.00000 172 6 ADE H8 2.50149 -5.33270 -2.13590 DNA1 6 0.00000 173 6 ADE N9 2.28021 -4.53330 -0.17362 DNA1 6 0.00000 174 6 ADE N1 1.74599 -0.66610 0.65226 DNA1 6 0.00000 175 6 ADE C2 1.78934 -1.56210 1.63340 DNA1 6 0.00000 176 6 ADE H2 1.66853 -1.16818 2.64253 DNA1 6 0.00000 177 6 ADE N3 1.95796 -2.86589 1.56728 DNA1 6 0.00000 178 6 ADE C4 2.09246 -3.25328 0.28489 DNA1 6 0.00000 179 6 ADE C6 1.88160 -1.08324 -0.61467 DNA1 6 0.00000 180 6 ADE N6 1.83810 -0.18341 -1.59427 DNA1 6 0.00000 181 6 ADE H61 1.70424 0.78979 -1.35962 DNA1 6 0.00000 182 6 ADE H62 1.93994 -0.49447 -2.54977 DNA1 6 0.00000 183 6 ADE C2' 1.71082 -6.97984 0.05063 DNA1 6 0.00000 184 6 ADE H2'' 1.74369 -6.87701 -1.05512 DNA1 6 0.00000 185 6 ADE H2' 0.70699 -7.10413 0.51018 DNA1 6 0.00000 186 6 ADE C3' 2.63322 -8.10244 0.49864 DNA1 6 0.00000 187 6 ADE H3' 2.58591 -8.91169 -0.26109 DNA1 6 0.00000 188 6 ADE O3' 2.25859 -8.52282 1.80796 DNA1 6 0.00000 189 7 THY P 0.71293 -8.66810 2.17194 DNA1 7 0.00000 190 7 THY O1P 0.53291 -9.74641 3.16272 DNA1 7 0.00000 191 7 THY O2P -0.07272 -8.79963 0.92094 DNA1 7 0.00000 192 7 THY O5' 0.41010 -7.25365 2.84117 DNA1 7 0.00000 193 7 THY C5' 1.33166 -6.74064 3.83642 DNA1 7 0.00000 194 7 THY H5' 2.01774 -6.00619 3.36293 DNA1 7 0.00000 195 7 THY H5'' 1.79226 -7.58841 4.38728 DNA1 7 0.00000 196 7 THY C4' 0.57193 -5.95558 4.88179 DNA1 7 0.00000 197 7 THY H4' 1.17017 -5.83752 5.81049 DNA1 7 0.00000 198 7 THY O4' 0.31183 -4.61370 4.36001 DNA1 7 0.00000 199 7 THY C1' -1.05367 -4.49129 4.01114 DNA1 7 0.00000 200 7 THY H1' -1.48054 -3.74862 4.71863 DNA1 7 0.00000 201 7 THY N1 -1.12214 -3.99592 2.61002 DNA1 7 0.00000 202 7 THY C6 -0.98978 -4.86334 1.55394 DNA1 7 0.00000 203 7 THY H6 -0.83014 -5.91493 1.79224 DNA1 7 0.00000 204 7 THY C2 -1.32257 -2.64385 2.42776 DNA1 7 0.00000 205 7 THY O2 -1.44166 -1.86414 3.35676 DNA1 7 0.00000 206 7 THY N3 -1.37804 -2.22896 1.11248 DNA1 7 0.00000 207 7 THY H3 -1.53251 -1.16326 0.94358 DNA1 7 0.00000 208 7 THY C4 -1.25846 -3.02192 -0.00415 DNA1 7 0.00000 209 7 THY O4 -1.32664 -2.53450 -1.13912 DNA1 7 0.00000 210 7 THY C5 -1.05627 -4.42118 0.28224 DNA1 7 0.00000 211 7 THY C5M -0.91261 -5.32341 -0.90572 DNA1 7 0.00000 212 7 THY H51 -0.74949 -6.37058 -0.57234 DNA1 7 0.00000 213 7 THY H52 0.00138 -4.97714 -1.43395 DNA1 7 0.00000 214 7 THY H53 -1.74904 -5.35521 -1.63626 DNA1 7 0.00000 215 7 THY C2' -1.71365 -5.84822 4.21559 DNA1 7 0.00000 216 7 THY H2'' -1.65607 -6.41456 3.26151 DNA1 7 0.00000 217 7 THY H2' -2.72808 -5.68569 4.63848 DNA1 7 0.00000 218 7 THY C3' -0.80927 -6.48687 5.25772 DNA1 7 0.00000 219 7 THY H3' -0.84587 -7.58835 5.11726 DNA1 7 0.00000 220 7 THY O3' -1.21538 -6.06132 6.55538 DNA1 7 0.00000 221 8 THY P -2.76962 -5.97620 6.90144 DNA1 8 0.00000 222 8 THY O1P -2.97892 -6.26787 8.33312 DNA1 8 0.00000 223 8 THY O2P -3.52867 -6.82238 5.94915 DNA1 8 0.00000 224 8 THY O5' -3.07699 -4.43967 6.60631 DNA1 8 0.00000 225 8 THY C5' -2.17377 -3.43391 7.13041 DNA1 8 0.00000 226 8 THY H5' -1.47196 -3.11306 6.33114 DNA1 8 0.00000 227 8 THY H5'' -1.73177 -3.79328 8.08425 DNA1 8 0.00000 228 8 THY C4' -2.95055 -2.19102 7.49755 DNA1 8 0.00000 229 8 THY H4' -2.37134 -1.54638 8.19273 DNA1 8 0.00000 230 8 THY O4' -3.18967 -1.41255 6.28185 DNA1 8 0.00000 231 8 THY C1' -4.54631 -1.52813 5.89840 DNA1 8 0.00000 232 8 THY H1' -4.98318 -0.51455 6.02536 DNA1 8 0.00000 233 8 THY N1 -4.58060 -1.95101 4.47243 DNA1 8 0.00000 234 8 THY C6 -4.43135 -3.27213 4.12973 DNA1 8 0.00000 235 8 THY H6 -4.28435 -3.98182 4.94388 DNA1 8 0.00000 236 8 THY C2 -4.76742 -0.96453 3.52624 DNA1 8 0.00000 237 8 THY O2 -4.90123 0.21065 3.81696 DNA1 8 0.00000 238 8 THY N3 -4.79116 -1.40227 2.21652 DNA1 8 0.00000 239 8 THY H3 -4.93429 -0.64010 1.45055 DNA1 8 0.00000 240 8 THY C4 -4.65279 -2.69978 1.78125 DNA1 8 0.00000 241 8 THY O4 -4.69273 -2.97121 0.57541 DNA1 8 0.00000 242 8 THY C5 -4.46688 -3.66196 2.84028 DNA1 8 0.00000 243 8 THY C5M -4.30367 -5.08935 2.41139 DNA1 8 0.00000 244 8 THY H51 -4.15521 -5.74026 3.29943 DNA1 8 0.00000 245 8 THY H52 -3.37598 -5.11262 1.80052 DNA1 8 0.00000 246 8 THY H53 -5.12420 -5.54984 1.82064 DNA1 8 0.00000 247 8 THY C2' -5.22021 -2.51118 6.84685 DNA1 8 0.00000 248 8 THY H2'' -5.14602 -3.52942 6.40868 DNA1 8 0.00000 249 8 THY H2' -6.24237 -2.13833 7.07153 DNA1 8 0.00000 250 8 THY C3' -4.34337 -2.40988 8.08455 DNA1 8 0.00000 251 8 THY H3' -4.38453 -3.38410 8.61701 DNA1 8 0.00000 252 8 THY O3' -4.77477 -1.30482 8.87502 DNA1 8 0.00000 253 9 CYT P -6.33556 -1.04389 9.07080 DNA1 9 0.00000 254 9 CYT O1P -6.57816 -0.44089 10.39646 DNA1 9 0.00000 255 9 CYT O2P -7.07958 -2.29376 8.78172 DNA1 9 0.00000 256 9 CYT O5' -6.62547 0.02355 7.92290 DNA1 9 0.00000 257 9 CYT C5' -5.72680 1.15147 7.77686 DNA1 9 0.00000 258 9 CYT H5' -5.00449 0.94655 6.95797 DNA1 9 0.00000 259 9 CYT H5'' -5.30943 1.42408 8.76974 DNA1 9 0.00000 260 9 CYT C4' -6.50261 2.36854 7.32550 DNA1 9 0.00000 261 9 CYT H4' -5.93498 3.30323 7.52160 DNA1 9 0.00000 262 9 CYT O4' -6.70954 2.28222 5.88032 DNA1 9 0.00000 263 9 CYT C1' -8.05826 1.95385 5.60791 DNA1 9 0.00000 264 9 CYT H1' -8.49049 2.84559 5.10562 DNA1 9 0.00000 265 9 CYT N1 -8.06435 0.77330 4.70153 DNA1 9 0.00000 266 9 CYT C6 -7.91739 -0.48651 5.18459 DNA1 9 0.00000 267 9 CYT H6 -7.79197 -0.58500 6.26287 DNA1 9 0.00000 268 9 CYT C2 -8.22295 1.00165 3.33641 DNA1 9 0.00000 269 9 CYT O2 -8.35631 2.16474 2.93604 DNA1 9 0.00000 270 9 CYT N3 -8.22595 -0.26189 2.50690 DNA1 9 0.00000 271 9 CYT C4 -8.08696 -1.30747 2.96030 DNA1 9 0.00000 272 9 CYT N4 -8.09973 -2.30852 2.09419 DNA1 9 0.00000 273 9 CYT H41 -8.22701 -2.10377 1.11339 DNA1 9 0.00000 274 9 CYT H42 -7.98433 -3.26207 2.40647 DNA1 9 0.00000 275 9 CYT C5 -7.92717 -1.56791 4.35771 DNA1 9 0.00000 276 9 CYT H5 -7.82263 -2.60107 4.68901 DNA1 9 0.00000 277 9 CYT C2' -8.75970 1.71076 6.93736 DNA1 9 0.00000 278 9 CYT H2'' -8.68371 0.62976 7.18227 DNA1 9 0.00000 279 9 CYT H2' -9.78367 2.13767 6.87763 DNA1 9 0.00000 280 9 CYT C3' -7.90941 2.52525 7.89879 DNA1 9 0.00000 281 9 CYT H3' -7.96883 2.04833 8.90045 DNA1 9 0.00000 282 9 CYT O3' -8.35014 3.88067 7.87996 DNA1 9 0.00000 283 10 GUA P -9.91295 4.19615 7.85088 DNA1 10 0.00000 284 10 GUA O1P -10.18017 5.46046 8.56342 DNA1 10 0.00000 285 10 GUA O2P -10.65932 3.00918 8.33434 DNA1 10 0.00000 286 10 GUA O5' -10.17012 4.38402 6.28970 DNA1 10 0.00000 287 10 GUA C5' -9.26047 5.21695 5.52749 DNA1 10 0.00000 288 10 GUA H5' -8.52273 4.57469 5.00064 DNA1 10 0.00000 289 10 GUA H5'' -8.86196 6.02367 6.17918 DNA1 10 0.00000 290 10 GUA C4' -10.01757 5.93131 4.43129 DNA1 10 0.00000 291 10 GUA H4' -9.44758 6.80690 4.05341 DNA1 10 0.00000 292 10 GUA O4' -10.19345 5.01096 3.30803 DNA1 10 0.00000 293 10 GUA C1' -11.53819 4.57573 3.25087 DNA1 10 0.00000 294 10 GUA H1' -11.95286 4.99943 2.31127 DNA1 10 0.00000 295 10 GUA N9 -11.53288 3.08871 3.21064 DNA1 10 0.00000 296 10 GUA C4 -11.64435 2.31989 2.07452 DNA1 10 0.00000 297 10 GUA N3 -11.78216 2.79611 0.80847 DNA1 10 0.00000 298 10 GUA C2 -11.87595 1.82095 -0.09229 DNA1 10 0.00000 299 10 GUA N1 -11.82605 0.48019 0.22833 DNA1 10 0.00000 300 10 GUA H1 -11.89633 -0.19529 -0.54605 DNA1 10 0.00000 301 10 GUA N2 -12.01689 2.11245 -1.38854 DNA1 10 0.00000 302 10 GUA H21 -12.09716 1.45788 -2.15352 DNA1 10 0.00000 303 10 GUA H22 -12.04634 3.09288 -1.62937 DNA1 10 0.00000 304 10 GUA C6 -11.68679 -0.03488 1.52918 DNA1 10 0.00000 305 10 GUA O6 -11.66144 -1.25354 1.69932 DNA1 10 0.00000 306 10 GUA C5 -11.59523 1.00011 2.48703 DNA1 10 0.00000 307 10 GUA N7 -11.45269 0.93444 3.87427 DNA1 10 0.00000 308 10 GUA C8 -11.41929 2.18799 4.24950 DNA1 10 0.00000 309 10 GUA H8 -11.31395 2.56036 5.26849 DNA1 10 0.00000 310 10 GUA C2' -12.27024 5.15464 4.45361 DNA1 10 0.00000 311 10 GUA H2'' -12.20725 4.42426 5.28841 DNA1 10 0.00000 312 10 GUA H2' -13.28961 5.45776 4.13218 DNA1 10 0.00000 313 10 GUA C3' -11.43541 6.38451 4.77144 DNA1 10 0.00000 314 10 GUA H3' -11.52064 6.58676 5.86055 DNA1 10 0.00000 315 10 GUA O3' -11.86603 7.46850 3.95085 DNA1 10 0.00000 316 11 CYT P -13.42556 7.69579 3.70809 DNA1 11 0.00000 317 11 CYT O1P -13.69928 9.13475 3.53527 DNA1 11 0.00000 318 11 CYT O2P -14.19070 7.01326 4.77954 DNA1 11 0.00000 319 11 CYT O5' -13.64715 6.92797 2.32846 DNA1 11 0.00000 320 11 CYT C5' -12.71517 7.16093 1.24252 DNA1 11 0.00000 321 11 CYT H5' -11.97057 6.33703 1.20968 DNA1 11 0.00000 322 11 CYT H5'' -12.32541 8.19946 1.30467 DNA1 11 0.00000 323 11 CYT C4' -13.44303 7.08971 -0.07996 DNA1 11 0.00000 324 11 CYT H4' -12.85796 7.58050 -0.88689 DNA1 11 0.00000 325 11 CYT O4' -13.60083 5.68364 -0.45254 DNA1 11 0.00000 326 11 CYT C1' -14.94708 5.28878 -0.27269 DNA1 11 0.00000 327 11 CYT H1' -15.33815 5.07745 -1.29089 DNA1 11 0.00000 328 11 CYT N1 -14.95143 4.06162 0.56943 DNA1 11 0.00000 329 11 CYT C6 -14.85403 4.13323 1.92036 DNA1 11 0.00000 330 11 CYT H6 -14.76927 5.13089 2.35116 DNA1 11 0.00000 331 11 CYT C2 -15.05575 2.83156 -0.07483 DNA1 11 0.00000 332 11 CYT O2 -15.14488 2.80667 -1.30924 DNA1 11 0.00000 333 11 CYT N3 -15.06185 1.65133 0.86940 DNA1 11 0.00000 334 11 CYT C4 -14.96586 1.76089 2.00812 DNA1 11 0.00000 335 11 CYT N4 -14.97370 0.62725 2.69080 DNA1 11 0.00000 336 11 CYT H41 -15.06095 -0.24454 2.18834 DNA1 11 0.00000 337 11 CYT H42 -14.89390 0.63108 3.69764 DNA1 11 0.00000 338 11 CYT C5 -14.86234 3.01235 2.69266 DNA1 11 0.00000 339 11 CYT H5 -14.79617 3.00996 3.78065 DNA1 11 0.00000 340 11 CYT C2' -15.70113 6.45907 0.34519 DNA1 11 0.00000 341 11 CYT H2'' -15.66071 6.35896 1.45093 DNA1 11 0.00000 342 11 CYT H2' -16.71142 6.50839 -0.11437 DNA1 11 0.00000 343 11 CYT C3' -14.86474 7.64713 -0.10283 DNA1 11 0.00000 344 11 CYT H3' -14.97208 8.45063 0.65690 DNA1 11 0.00000 345 11 CYT O3' -15.26958 8.03850 -1.41215 DNA1 11 0.00000 346 12 GUA P -16.82177 8.06846 -1.77612 DNA1 12 0.00000 347 12 GUA O1P -17.08145 9.13041 -2.76691 DNA1 12 0.00000 348 12 GUA O2P -17.61503 8.14122 -0.52513 DNA1 12 0.00000 349 12 GUA O5' -17.01860 6.63542 -2.44536 DNA1 12 0.00000 350 12 GUA C5' -16.06146 6.19234 -3.44060 DNA1 12 0.00000 351 12 GUA H5' -15.32267 5.51093 -2.96711 DNA1 12 0.00000 352 12 GUA H5'' -15.66515 7.07200 -3.99147 DNA1 12 0.00000 353 12 GUA C4' -16.76072 5.35297 -4.48598 DNA1 12 0.00000 354 12 GUA H4' -16.15536 5.27971 -5.41468 DNA1 12 0.00000 355 12 GUA O4' -16.92033 3.99547 -3.96420 DNA1 12 0.00000 356 12 GUA C1' -18.27295 3.77188 -3.61533 DNA1 12 0.00000 357 12 GUA H1' -18.64343 2.99953 -4.32282 DNA1 12 0.00000 358 12 GUA N9 -18.30441 3.27279 -2.21421 DNA1 12 0.00000 359 12 GUA C4 -18.39534 1.95205 -1.83817 DNA1 12 0.00000 360 12 GUA N3 -18.47601 0.89309 -2.68763 DNA1 12 0.00000 361 12 GUA C2 -18.56290 -0.26727 -2.04199 DNA1 12 0.00000 362 12 GUA N1 -18.55881 -0.37732 -0.66716 DNA1 12 0.00000 363 12 GUA H1 -18.61897 -1.32462 -0.26728 DNA1 12 0.00000 364 12 GUA N2 -18.65036 -1.41263 -2.72533 DNA1 12 0.00000 365 12 GUA H21 -18.72034 -2.34478 -2.34286 DNA1 12 0.00000 366 12 GUA H22 -18.64599 -1.33793 -3.73256 DNA1 12 0.00000 367 12 GUA C6 -18.47893 0.70275 0.22979 DNA1 12 0.00000 368 12 GUA O6 -18.49093 0.48733 1.44080 DNA1 12 0.00000 369 12 GUA C5 -18.39479 1.93708 -0.45478 DNA1 12 0.00000 370 12 GUA N7 -18.30312 3.23825 0.03998 DNA1 12 0.00000 371 12 GUA C8 -18.25081 3.98349 -1.03343 DNA1 12 0.00000 372 12 GUA H8 -18.17196 5.07006 -1.06886 DNA1 12 0.00000 373 12 GUA C2' -19.03199 5.07599 -3.81978 DNA1 12 0.00000 374 12 GUA H2'' -19.01668 5.64504 -2.86570 DNA1 12 0.00000 375 12 GUA H2' -20.03152 4.83849 -4.24268 DNA1 12 0.00000 376 12 GUA C3' -18.17759 5.78011 -4.86191 DNA1 12 0.00000 377 12 GUA H3' -18.29598 6.87581 -4.72145 DNA1 12 0.00000 378 12 GUA O3' -18.55093 5.32554 -6.15957 DNA1 12 0.00000 379 12 GUA H3T -19.48556 5.13559 -6.26908 DNA1 12 0.00000 380 13 CYT H5T -20.64458 -8.24200 3.13650 DNA2 1 0.00000 381 13 CYT O5' -20.12948 -8.18473 2.32843 DNA2 1 0.00000 382 13 CYT C5' -21.06142 -8.41867 1.24312 DNA2 1 0.00000 383 13 CYT H5' -21.80145 -7.59034 1.21964 DNA2 1 0.00000 384 13 CYT H5'' -21.44364 -9.45935 1.31526 DNA2 1 0.00000 385 13 CYT C4' -20.33358 -8.34705 -0.08050 DNA2 1 0.00000 386 13 CYT H4' -20.91774 -8.83775 -0.88815 DNA2 1 0.00000 387 13 CYT O4' -20.17575 -6.94149 -0.45240 DNA2 1 0.00000 388 13 CYT C1' -18.82953 -6.54617 -0.27222 DNA2 1 0.00000 389 13 CYT H1' -18.43839 -6.33412 -1.29024 DNA2 1 0.00000 390 13 CYT N1 -18.82519 -5.31863 0.56945 DNA2 1 0.00000 391 13 CYT C6 -18.92256 -5.39097 1.92125 DNA2 1 0.00000 392 13 CYT H6 -19.00718 -6.38844 2.35251 DNA2 1 0.00000 393 13 CYT C2 -18.72089 -4.08795 -0.07505 DNA2 1 0.00000 394 13 CYT O2 -18.63170 -4.06455 -1.30890 DNA2 1 0.00000 395 13 CYT N3 -18.71479 -2.90782 0.86935 DNA2 1 0.00000 396 13 CYT C4 -18.81075 -3.01818 2.00810 DNA2 1 0.00000 397 13 CYT N4 -18.80292 -1.88439 2.69137 DNA2 1 0.00000 398 13 CYT H41 -18.71572 -1.01244 2.18918 DNA2 1 0.00000 399 13 CYT H42 -18.88267 -1.88855 3.69821 DNA2 1 0.00000 400 13 CYT C5 -18.91427 -4.26963 2.69312 DNA2 1 0.00000 401 13 CYT H5 -18.98046 -4.26692 3.78110 DNA2 1 0.00000 402 13 CYT C2' -18.07548 -7.71629 0.34485 DNA2 1 0.00000 403 13 CYT H2'' -18.11497 -7.61590 1.45060 DNA2 1 0.00000 404 13 CYT H2' -17.06557 -7.76556 -0.11556 DNA2 1 0.00000 405 13 CYT C3' -18.91187 -8.90435 -0.10204 DNA2 1 0.00000 406 13 CYT H3' -18.80482 -9.70696 0.65867 DNA2 1 0.00000 407 13 CYT O3' -18.50704 -9.29530 -1.41163 DNA2 1 0.00000 408 14 GUA P -16.95485 -9.32533 -1.77574 DNA2 2 0.00000 409 14 GUA O1P -16.69516 -10.38758 -2.76658 DNA2 2 0.00000 410 14 GUA O2P -16.16161 -9.39768 -0.52464 DNA2 2 0.00000 411 14 GUA O5' -16.75799 -7.89323 -2.44584 DNA2 2 0.00000 412 14 GUA C5' -17.71512 -7.45039 -3.44082 DNA2 2 0.00000 413 14 GUA H5' -18.45430 -6.76953 -2.96715 DNA2 2 0.00000 414 14 GUA H5'' -18.11092 -8.33007 -3.99203 DNA2 2 0.00000 415 14 GUA C4' -17.01587 -6.61057 -4.48530 DNA2 2 0.00000 416 14 GUA H4' -17.62117 -6.53751 -5.41406 DNA2 2 0.00000 417 14 GUA O4' -16.85626 -5.25322 -3.96395 DNA2 2 0.00000 418 14 GUA C1' -15.50364 -5.02943 -3.61555 DNA2 2 0.00000 419 14 GUA H1' -15.13349 -4.25714 -4.32327 DNA2 2 0.00000 420 14 GUA N9 -15.47219 -4.53038 -2.21454 DNA2 2 0.00000 421 14 GUA C4 -15.38126 -3.20942 -1.83890 DNA2 2 0.00000 422 14 GUA N3 -15.30060 -2.15026 -2.68763 DNA2 2 0.00000 423 14 GUA C2 -15.21372 -0.98949 -2.04253 DNA2 2 0.00000 424 14 GUA N1 -15.21780 -0.87986 -0.66744 DNA2 2 0.00000 425 14 GUA H1 -15.15763 0.06731 -0.26726 DNA2 2 0.00000 426 14 GUA N2 -15.12626 0.15572 -2.72515 DNA2 2 0.00000 427 14 GUA H21 -15.05632 1.08772 -2.34230 DNA2 2 0.00000 428 14 GUA H22 -15.13054 0.08143 -3.73240 DNA2 2 0.00000 429 14 GUA C6 -15.29768 -1.96009 0.22902 DNA2 2 0.00000 430 14 GUA O6 -15.28568 -1.74466 1.44069 DNA2 2 0.00000 431 14 GUA C5 -15.38185 -3.19361 -0.45538 DNA2 2 0.00000 432 14 GUA N7 -15.47349 -4.49533 0.04078 DNA2 2 0.00000 433 14 GUA C8 -15.52578 -5.24140 -1.03344 DNA2 2 0.00000 434 14 GUA H8 -15.60453 -6.32798 -1.06870 DNA2 2 0.00000 435 14 GUA C2' -14.74462 -6.33316 -3.81995 DNA2 2 0.00000 436 14 GUA H2'' -14.75926 -6.90176 -2.86559 DNA2 2 0.00000 437 14 GUA H2' -13.74538 -6.09546 -4.24343 DNA2 2 0.00000 438 14 GUA C3' -15.59900 -7.03792 -4.86105 DNA2 2 0.00000 439 14 GUA H3' -15.48051 -8.13351 -4.71971 DNA2 2 0.00000 440 14 GUA O3' -15.22566 -6.58301 -6.16010 DNA2 2 0.00000 441 15 CYT P -13.68204 -6.38269 -6.50630 DNA2 3 0.00000 442 15 CYT O1P -13.45166 -6.65748 -7.93697 DNA2 3 0.00000 443 15 CYT O2P -12.86220 -7.16976 -5.55358 DNA2 3 0.00000 444 15 CYT O5' -13.48975 -4.82779 -6.21077 DNA2 3 0.00000 445 15 CYT C5' -14.46524 -3.89188 -6.73479 DNA2 3 0.00000 446 15 CYT H5' -15.18913 -3.62438 -5.93557 DNA2 3 0.00000 447 15 CYT H5'' -14.87911 -4.28289 -7.68880 DNA2 3 0.00000 448 15 CYT C4' -13.78304 -2.59423 -7.10154 DNA2 3 0.00000 449 15 CYT H4' -14.40869 -1.99450 -7.79667 DNA2 3 0.00000 450 15 CYT O4' -13.60245 -1.80021 -5.88596 DNA2 3 0.00000 451 15 CYT C1' -12.24099 -1.81416 -5.50273 DNA2 3 0.00000 452 15 CYT H1' -11.88087 -0.77092 -5.63038 DNA2 3 0.00000 453 15 CYT N1 -12.17532 -2.23398 -4.07636 DNA2 3 0.00000 454 15 CYT C6 -12.22668 -3.54259 -3.72348 DNA2 3 0.00000 455 15 CYT H6 -12.32174 -4.26347 -4.53551 DNA2 3 0.00000 456 15 CYT C2 -12.06231 -1.23770 -3.11010 DNA2 3 0.00000 457 15 CYT O2 -12.01629 -0.05451 -3.47108 DNA2 3 0.00000 458 15 CYT N3 -11.99249 -1.76906 -1.69684 DNA2 3 0.00000 459 15 CYT C4 -12.05092 -2.88772 -1.44566 DNA2 3 0.00000 460 15 CYT N4 -11.98983 -3.18492 -0.15756 DNA2 3 0.00000 461 15 CYT H41 -11.89804 -2.43489 0.51261 DNA2 3 0.00000 462 15 CYT H42 -12.03403 -4.14504 0.15277 DNA2 3 0.00000 463 15 CYT C5 -12.16227 -3.92890 -2.41983 DNA2 3 0.00000 464 15 CYT H5 -12.18982 -4.96387 -2.07899 DNA2 3 0.00000 465 15 CYT C2' -11.49585 -2.74480 -6.45069 DNA2 3 0.00000 466 15 CYT H2'' -11.49455 -3.76569 -6.01241 DNA2 3 0.00000 467 15 CYT H2' -10.50405 -2.29737 -6.67532 DNA2 3 0.00000 468 15 CYT C3' -12.37780 -2.70878 -7.68868 DNA2 3 0.00000 469 15 CYT H3' -12.26433 -3.67714 -8.22133 DNA2 3 0.00000 470 15 CYT O3' -12.02972 -1.57533 -8.47958 DNA2 3 0.00000 471 16 GUA P -10.49266 -1.19883 -8.67545 DNA2 4 0.00000 472 16 GUA O1P -10.29556 -0.57973 -10.00009 DNA2 4 0.00000 473 16 GUA O2P -9.65778 -2.38995 -8.38606 DNA2 4 0.00000 474 16 GUA O5' -10.28289 -0.11351 -7.52727 DNA2 4 0.00000 475 16 GUA C5' -11.26295 0.94513 -7.37988 DNA2 4 0.00000 476 16 GUA H5' -11.96678 0.68739 -6.55981 DNA2 4 0.00000 477 16 GUA H5'' -11.70095 1.18580 -8.37213 DNA2 4 0.00000 478 16 GUA C4' -10.57978 2.21680 -6.92995 DNA2 4 0.00000 479 16 GUA H4' -11.21553 3.10660 -7.12591 DNA2 4 0.00000 480 16 GUA O4' -10.36699 2.14582 -5.48419 DNA2 4 0.00000 481 16 GUA C1' -8.99758 1.91831 -5.21173 DNA2 4 0.00000 482 16 GUA H1' -8.63265 2.83964 -4.70944 DNA2 4 0.00000 483 16 GUA N9 -8.90377 0.74222 -4.30551 DNA2 4 0.00000 484 16 GUA C4 -8.76570 0.79658 -2.93730 DNA2 4 0.00000 485 16 GUA N3 -8.68796 1.93425 -2.19625 DNA2 4 0.00000 486 16 GUA C2 -8.54850 1.68257 -0.89700 DNA2 4 0.00000 487 16 GUA N1 -8.50113 0.40995 -0.36739 DNA2 4 0.00000 488 16 GUA H1 -8.40256 0.32512 0.65437 DNA2 4 0.00000 489 16 GUA N2 -8.45589 2.68931 -0.02273 DNA2 4 0.00000 490 16 GUA H21 -8.34850 2.61657 0.97891 DNA2 4 0.00000 491 16 GUA H22 -8.49780 3.62330 -0.40483 DNA2 4 0.00000 492 16 GUA C6 -8.57694 -0.77937 -1.11386 DNA2 4 0.00000 493 16 GUA O6 -8.51659 -1.86321 -0.53531 DNA2 4 0.00000 494 16 GUA C5 -8.71693 -0.51355 -2.49554 DNA2 4 0.00000 495 16 GUA N7 -8.82442 -1.38947 -3.57602 DNA2 4 0.00000 496 16 GUA C8 -8.93380 -0.60167 -4.61416 DNA2 4 0.00000 497 16 GUA H8 -9.04173 -0.90685 -5.65499 DNA2 4 0.00000 498 16 GUA C2' -8.28000 1.72785 -6.54118 DNA2 4 0.00000 499 16 GUA H2'' -8.27616 0.64430 -6.78661 DNA2 4 0.00000 500 16 GUA H2' -7.29028 2.22906 -6.48151 DNA2 4 0.00000 501 16 GUA C3' -9.18853 2.47806 -7.50220 DNA2 4 0.00000 502 16 GUA H3' -9.09343 2.00795 -8.50433 DNA2 4 0.00000 503 16 GUA O3' -8.84977 3.86185 -7.48441 DNA2 4 0.00000 504 17 ADE P -7.31473 4.29253 -7.45548 DNA2 5 0.00000 505 17 ADE O1P -7.14227 5.57376 -8.16771 DNA2 5 0.00000 506 17 ADE O2P -6.48219 3.16445 -7.93854 DNA2 5 0.00000 507 17 ADE O5' -7.07225 4.49905 -5.89310 DNA2 5 0.00000 508 17 ADE C5' -8.04130 5.26220 -5.13114 DNA2 5 0.00000 509 17 ADE H5' -8.72919 4.56700 -4.60404 DNA2 5 0.00000 510 17 ADE H5'' -8.49877 6.03680 -5.78309 DNA2 5 0.00000 511 17 ADE C4' -7.33941 6.03077 -4.03589 DNA2 5 0.00000 512 17 ADE H4' -7.97353 6.86133 -3.65856 DNA2 5 0.00000 513 17 ADE O4' -7.09559 5.12618 -2.91189 DNA2 5 0.00000 514 17 ADE C1' -5.72222 4.79225 -2.85523 DNA2 5 0.00000 515 17 ADE H1' -5.33995 5.24558 -1.91572 DNA2 5 0.00000 516 17 ADE C5 -5.40030 1.25186 -2.12542 DNA2 5 0.00000 517 17 ADE N7 -5.54788 1.18404 -3.49943 DNA2 5 0.00000 518 17 ADE C8 -5.66420 2.42703 -3.86081 DNA2 5 0.00000 519 17 ADE H8 -5.78962 2.80098 -4.87694 DNA2 5 0.00000 520 17 ADE N9 -5.61697 3.30878 -2.81525 DNA2 5 0.00000 521 17 ADE N1 -5.12838 0.66766 0.13647 DNA2 5 0.00000 522 17 ADE C2 -5.18684 1.96917 0.40190 DNA2 5 0.00000 523 17 ADE H2 -5.09069 2.24364 1.45239 DNA2 5 0.00000 524 17 ADE N3 -5.34471 2.98422 -0.42049 DNA2 5 0.00000 525 17 ADE C4 -5.44839 2.54376 -1.68801 DNA2 5 0.00000 526 17 ADE C6 -5.23329 0.25988 -1.13695 DNA2 5 0.00000 527 17 ADE N6 -5.17477 -1.04339 -1.39996 DNA2 5 0.00000 528 17 ADE H61 -5.05302 -1.69220 -0.63555 DNA2 5 0.00000 529 17 ADE H62 -5.25346 -1.35361 -2.35791 DNA2 5 0.00000 530 17 ADE C2' -5.03526 5.42443 -4.05878 DNA2 5 0.00000 531 17 ADE H2'' -5.04426 4.69156 -4.89373 DNA2 5 0.00000 532 17 ADE H2' -4.04104 5.80225 -3.73770 DNA2 5 0.00000 533 17 ADE C3' -5.95923 6.58919 -4.37602 DNA2 5 0.00000 534 17 ADE H3' -5.88957 6.79793 -5.46501 DNA2 5 0.00000 535 17 ADE O3' -5.61034 7.70094 -3.55481 DNA2 5 0.00000 536 18 ADE P -4.07200 8.04312 -3.31210 DNA2 6 0.00000 537 18 ADE O1P -3.90608 9.50008 -3.14011 DNA2 6 0.00000 538 18 ADE O2P -3.25828 7.42059 -4.38432 DNA2 6 0.00000 539 18 ADE O5' -3.79395 7.29421 -1.93262 DNA2 6 0.00000 540 18 ADE C5' -4.74071 7.45822 -0.84732 DNA2 6 0.00000 541 18 ADE H5' -5.42277 6.58184 -0.81456 DNA2 6 0.00000 542 18 ADE H5'' -5.20571 8.46529 -0.90983 DNA2 6 0.00000 543 18 ADE C4' -4.00956 7.44091 0.47631 DNA2 6 0.00000 544 18 ADE H4' -4.62858 7.88682 1.28395 DNA2 6 0.00000 545 18 ADE O4' -3.74768 6.05097 0.84820 DNA2 6 0.00000 546 18 ADE C1' -2.37579 5.75682 0.66802 DNA2 6 0.00000 547 18 ADE H1' -1.96997 5.57444 1.68604 DNA2 6 0.00000 548 18 ADE C5 -2.06314 2.46565 -0.82881 DNA2 6 0.00000 549 18 ADE N7 -2.24119 3.21641 -1.97604 DNA2 6 0.00000 550 18 ADE C8 -2.35656 4.43378 -1.53653 DNA2 6 0.00000 551 18 ADE H8 -2.50143 5.33205 -2.13673 DNA2 6 0.00000 552 18 ADE N9 -2.28020 4.53300 -0.17364 DNA2 6 0.00000 553 18 ADE N1 -1.74596 0.66551 0.65287 DNA2 6 0.00000 554 18 ADE C2 -1.78935 1.56210 1.63255 DNA2 6 0.00000 555 18 ADE H2 -1.66823 1.16776 2.64147 DNA2 6 0.00000 556 18 ADE N3 -1.95793 2.86509 1.56706 DNA2 6 0.00000 557 18 ADE C4 -2.09245 3.25292 0.28495 DNA2 6 0.00000 558 18 ADE C6 -1.88158 1.08274 -0.61529 DNA2 6 0.00000 559 18 ADE N6 -1.83809 0.18335 -1.59452 DNA2 6 0.00000 560 18 ADE H61 -1.70429 -0.78987 -1.35992 DNA2 6 0.00000 561 18 ADE H62 -1.93988 0.49448 -2.55000 DNA2 6 0.00000 562 18 ADE C2' -1.71082 6.97977 0.05096 DNA2 6 0.00000 563 18 ADE H2'' -1.74273 6.87672 -1.05479 DNA2 6 0.00000 564 18 ADE H2' -0.70737 7.10398 0.51137 DNA2 6 0.00000 565 18 ADE C3' -2.63321 8.10236 0.49785 DNA2 6 0.00000 566 18 ADE H3' -2.58614 8.91070 -0.26286 DNA2 6 0.00000 567 18 ADE O3' -2.25858 8.52233 1.80744 DNA2 6 0.00000 568 19 THY P -0.71291 8.66766 2.17155 DNA2 7 0.00000 569 19 THY O1P -0.53291 9.74628 3.16239 DNA2 7 0.00000 570 19 THY O2P 0.07275 8.79878 0.92046 DNA2 7 0.00000 571 19 THY O5' -0.41012 7.25416 2.84165 DNA2 7 0.00000 572 19 THY C5' -1.33169 6.74139 3.83663 DNA2 7 0.00000 573 19 THY H5' -2.01820 6.00746 3.36295 DNA2 7 0.00000 574 19 THY H5'' -1.79179 7.58921 4.38783 DNA2 7 0.00000 575 19 THY C4' -0.57194 5.95588 4.88111 DNA2 7 0.00000 576 19 THY H4' -1.17014 5.83802 5.80987 DNA2 7 0.00000 577 19 THY O4' -0.31185 4.61415 4.35976 DNA2 7 0.00000 578 19 THY C1' 1.05365 4.49155 4.01136 DNA2 7 0.00000 579 19 THY H1' 1.48019 3.74891 4.71908 DNA2 7 0.00000 580 19 THY N1 1.12212 3.99621 2.61035 DNA2 7 0.00000 581 19 THY C6 0.98978 4.86334 1.55379 DNA2 7 0.00000 582 19 THY H6 0.83010 5.91487 1.79229 DNA2 7 0.00000 583 19 THY C2 1.32258 2.64360 2.42758 DNA2 7 0.00000 584 19 THY O2 1.44166 1.86391 3.35639 DNA2 7 0.00000 585 19 THY N3 1.37805 2.22875 1.11256 DNA2 7 0.00000 586 19 THY H3 1.53249 1.16300 0.94393 DNA2 7 0.00000 587 19 THY C4 1.25845 3.02216 -0.00528 DNA2 7 0.00000 588 19 THY O4 1.32666 2.53408 -1.13896 DNA2 7 0.00000 589 19 THY C5 1.05627 4.42133 0.28179 DNA2 7 0.00000 590 19 THY C5M 0.91263 5.32306 -0.90631 DNA2 7 0.00000 591 19 THY H51 0.74942 6.37033 -0.57328 DNA2 7 0.00000 592 19 THY H52 -0.00133 4.97657 -1.43448 DNA2 7 0.00000 593 19 THY H53 1.74909 5.35468 -1.63683 DNA2 7 0.00000 594 19 THY C2' 1.71365 5.84810 4.21576 DNA2 7 0.00000 595 19 THY H2'' 1.65678 6.41403 3.26140 DNA2 7 0.00000 596 19 THY H2' 2.72780 5.68534 4.63924 DNA2 7 0.00000 597 19 THY C3' 0.80924 6.48739 5.25686 DNA2 7 0.00000 598 19 THY H3' 0.84595 7.58875 5.11553 DNA2 7 0.00000 599 19 THY O3' 1.21536 6.06149 6.55591 DNA2 7 0.00000 600 20 THY P 2.76960 5.97648 6.90212 DNA2 8 0.00000 601 20 THY O1P 2.97891 6.26764 8.33278 DNA2 8 0.00000 602 20 THY O2P 3.52866 6.82233 5.94940 DNA2 8 0.00000 603 20 THY O5' 3.07696 4.44019 6.60658 DNA2 8 0.00000 604 20 THY C5' 2.17375 3.43434 7.13060 DNA2 8 0.00000 605 20 THY H5' 1.47175 3.11377 6.33138 DNA2 8 0.00000 606 20 THY H5'' 1.73196 3.79350 8.08462 DNA2 8 0.00000 607 20 THY C4' 2.95054 2.19100 7.49736 DNA2 8 0.00000 608 20 THY H4' 2.37120 1.54641 8.19248 DNA2 8 0.00000 609 20 THY O4' 3.18966 1.41260 6.28177 DNA2 8 0.00000 610 20 THY C1' 4.54631 1.52773 5.89855 DNA2 8 0.00000 611 20 THY H1' 4.98299 0.51415 6.02619 DNA2 8 0.00000 612 20 THY N1 4.58058 1.95128 4.47217 DNA2 8 0.00000 613 20 THY C6 4.43135 3.27199 4.12980 DNA2 8 0.00000 614 20 THY H6 4.28435 3.98166 4.94396 DNA2 8 0.00000 615 20 THY C2 4.76740 0.96506 3.52614 DNA2 8 0.00000 616 20 THY O2 4.90124 -0.21110 3.81691 DNA2 8 0.00000 617 20 THY N3 4.79117 1.40181 2.21717 DNA2 8 0.00000 618 20 THY H3 4.93432 0.63926 1.45158 DNA2 8 0.00000 619 20 THY C4 4.65280 2.69948 1.78114 DNA2 8 0.00000 620 20 THY O4 4.69272 2.97128 0.57570 DNA2 8 0.00000 621 20 THY C5 4.46687 3.66203 2.83975 DNA2 8 0.00000 622 20 THY C5M 4.30368 5.08901 2.41174 DNA2 8 0.00000 623 20 THY H51 4.15528 5.73948 3.30010 DNA2 8 0.00000 624 20 THY H52 3.37594 5.11255 1.80095 DNA2 8 0.00000 625 20 THY H53 5.12416 5.54979 1.82114 DNA2 8 0.00000 626 20 THY C2' 5.22020 2.51119 6.84651 DNA2 8 0.00000 627 20 THY H2'' 5.14560 3.52936 6.40822 DNA2 8 0.00000 628 20 THY H2' 6.24252 2.13874 7.07114 DNA2 8 0.00000 629 20 THY C3' 4.34337 2.40970 8.08449 DNA2 8 0.00000 630 20 THY H3' 4.38453 3.38382 8.61715 DNA2 8 0.00000 631 20 THY O3' 4.77475 1.30527 8.87540 DNA2 8 0.00000 632 21 CYT P 6.33554 1.04409 9.07127 DNA2 9 0.00000 633 21 CYT O1P 6.57813 0.44135 10.39591 DNA2 9 0.00000 634 21 CYT O2P 7.07956 2.29397 8.78188 DNA2 9 0.00000 635 21 CYT O5' 6.62542 -0.02264 7.92309 DNA2 9 0.00000 636 21 CYT C5' 5.72678 -1.15121 7.77570 DNA2 9 0.00000 637 21 CYT H5' 5.00574 -0.94651 6.95563 DNA2 9 0.00000 638 21 CYT H5'' 5.30788 -1.42378 8.76795 DNA2 9 0.00000 639 21 CYT C4' 6.50260 -2.36857 7.32577 DNA2 9 0.00000 640 21 CYT H4' 5.93476 -3.30317 7.52173 DNA2 9 0.00000 641 21 CYT O4' 6.70952 -2.28197 5.88000 DNA2 9 0.00000 642 21 CYT C1' 8.05823 -1.95328 5.60755 DNA2 9 0.00000 643 21 CYT H1' 8.49065 -2.84493 5.10526 DNA2 9 0.00000 644 21 CYT N1 8.06435 -0.77347 4.70133 DNA2 9 0.00000 645 21 CYT C6 7.91737 0.48681 5.18397 DNA2 9 0.00000 646 21 CYT H6 7.79189 0.58505 6.26226 DNA2 9 0.00000 647 21 CYT C2 8.22293 -1.00109 3.33652 DNA2 9 0.00000 648 21 CYT O2 8.35629 -2.16436 2.93581 DNA2 9 0.00000 649 21 CYT N3 8.22595 0.26186 2.50805 DNA2 9 0.00000 650 21 CYT C4 8.08698 1.30700 2.96036 DNA2 9 0.00000 651 21 CYT N4 8.09973 2.30852 2.09386 DNA2 9 0.00000 652 21 CYT H41 8.22711 2.10381 1.11307 DNA2 9 0.00000 653 21 CYT H42 7.98421 3.26206 2.40615 DNA2 9 0.00000 654 21 CYT C5 7.92717 1.56770 4.35787 DNA2 9 0.00000 655 21 CYT H5 7.82270 2.60092 4.68902 DNA2 9 0.00000 656 21 CYT C2' 8.75967 -1.71000 6.93700 DNA2 9 0.00000 657 21 CYT H2'' 8.68294 -0.62917 7.18243 DNA2 9 0.00000 658 21 CYT H2' 9.78391 -2.13624 6.87734 DNA2 9 0.00000 659 21 CYT C3' 7.90942 -2.52568 7.89802 DNA2 9 0.00000 660 21 CYT H3' 7.96931 -2.04980 8.90015 DNA2 9 0.00000 661 21 CYT O3' 8.35012 -3.88045 7.88023 DNA2 9 0.00000 662 22 GUA P 9.91293 -4.19582 7.85130 DNA2 10 0.00000 663 22 GUA O1P 10.18017 -5.46068 8.56354 DNA2 10 0.00000 664 22 GUA O2P 10.65930 -3.00897 8.33436 DNA2 10 0.00000 665 22 GUA O5' 10.17010 -4.38374 6.28892 DNA2 10 0.00000 666 22 GUA C5' 9.26046 -5.21683 5.52696 DNA2 10 0.00000 667 22 GUA H5' 8.52280 -4.57469 4.99986 DNA2 10 0.00000 668 22 GUA H5'' 8.86185 -6.02329 6.17891 DNA2 10 0.00000 669 22 GUA C4' 10.01755 -5.93108 4.43171 DNA2 10 0.00000 670 22 GUA H4' 9.44694 -6.80649 4.05438 DNA2 10 0.00000 671 22 GUA O4' 10.19345 -5.01087 3.30771 DNA2 10 0.00000 672 22 GUA C1' 11.53819 -4.57577 3.25106 DNA2 10 0.00000 673 22 GUA H1' 11.95311 -4.99942 2.31154 DNA2 10 0.00000 674 22 GUA N9 11.53287 -3.08857 3.21107 DNA2 10 0.00000 675 22 GUA C4 11.64434 -2.31968 2.07413 DNA2 10 0.00000 676 22 GUA N3 11.78216 -2.79596 0.80869 DNA2 10 0.00000 677 22 GUA C2 11.87596 -1.82116 -0.09176 DNA2 10 0.00000 678 22 GUA N1 11.82603 -0.47988 0.22829 DNA2 10 0.00000 679 22 GUA H1 11.89630 0.19523 -0.54643 DNA2 10 0.00000 680 22 GUA N2 12.01690 -2.11246 -1.38861 DNA2 10 0.00000 681 22 GUA H21 12.09717 -1.45770 -2.15342 DNA2 10 0.00000 682 22 GUA H22 12.04628 -3.09283 -1.62968 DNA2 10 0.00000 683 22 GUA C6 11.68679 0.03492 1.52914 DNA2 10 0.00000 684 22 GUA O6 11.66143 1.25375 1.69905 DNA2 10 0.00000 685 22 GUA C5 11.59523 -1.00016 2.48712 DNA2 10 0.00000 686 22 GUA N7 11.45269 -0.93453 3.87480 DNA2 10 0.00000 687 22 GUA C8 11.41927 -2.18750 4.24905 DNA2 10 0.00000 688 22 GUA H8 11.31379 -2.56047 5.26781 DNA2 10 0.00000 689 22 GUA C2' 12.27025 -5.15512 4.45460 DNA2 10 0.00000 690 22 GUA H2'' 12.20679 -4.42495 5.28955 DNA2 10 0.00000 691 22 GUA H2' 13.28981 -5.45798 4.13353 DNA2 10 0.00000 692 22 GUA C3' 11.43543 -6.38535 4.77185 DNA2 10 0.00000 693 22 GUA H3' 11.52041 -6.58833 5.86083 DNA2 10 0.00000 694 22 GUA O3' 11.86601 -7.46808 3.95063 DNA2 10 0.00000 695 23 CYT P 13.42553 -7.69495 3.70793 DNA2 11 0.00000 696 23 CYT O1P 13.69930 -9.13554 3.53594 DNA2 11 0.00000 697 23 CYT O2P 14.19071 -7.01365 4.78014 DNA2 11 0.00000 698 23 CYT O5' 13.64713 -6.92744 2.32844 DNA2 11 0.00000 699 23 CYT C5' 12.71519 -7.16138 1.24314 DNA2 11 0.00000 700 23 CYT H5' 11.96986 -6.33814 1.21038 DNA2 11 0.00000 701 23 CYT H5'' 12.32634 -8.20023 1.30565 DNA2 11 0.00000 702 23 CYT C4' 13.44303 -7.08976 -0.08048 DNA2 11 0.00000 703 23 CYT H4' 12.85887 -7.58047 -0.88813 DNA2 11 0.00000 704 23 CYT O4' 13.60085 -5.68421 -0.45238 DNA2 11 0.00000 705 23 CYT C1' 14.94708 -5.28888 -0.27220 DNA2 11 0.00000 706 23 CYT H1' 15.33822 -5.07683 -1.29022 DNA2 11 0.00000 707 23 CYT N1 14.95142 -4.06134 0.56947 DNA2 11 0.00000 708 23 CYT C6 14.85404 -4.13368 1.92127 DNA2 11 0.00000 709 23 CYT H6 14.76943 -5.13116 2.35253 DNA2 11 0.00000 710 23 CYT C2 15.05571 -2.83066 -0.07503 DNA2 11 0.00000 711 23 CYT O2 15.14491 -2.80727 -1.30888 DNA2 11 0.00000 712 23 CYT N3 15.06182 -1.65053 0.86937 DNA2 11 0.00000 713 23 CYT C4 14.96586 -1.76089 2.00812 DNA2 11 0.00000 714 23 CYT N4 14.97369 -0.62710 2.69139 DNA2 11 0.00000 715 23 CYT H41 15.06088 0.24485 2.18920 DNA2 11 0.00000 716 23 CYT H42 14.89393 -0.63126 3.69823 DNA2 11 0.00000 717 23 CYT C5 14.86234 -3.01234 2.69314 DNA2 11 0.00000 718 23 CYT H5 14.79615 -3.00963 3.78112 DNA2 11 0.00000 719 23 CYT C2' 15.70113 -6.45900 0.34487 DNA2 11 0.00000 720 23 CYT H2'' 15.66164 -6.35861 1.45062 DNA2 11 0.00000 721 23 CYT H2' 16.71104 -6.50827 -0.11554 DNA2 11 0.00000 722 23 CYT C3' 14.86474 -7.64706 -0.10202 DNA2 11 0.00000 723 23 CYT H3' 14.97178 -8.44967 0.65869 DNA2 11 0.00000 724 23 CYT O3' 15.26957 -8.03801 -1.41161 DNA2 11 0.00000 725 24 GUA P 16.82176 -8.06804 -1.77572 DNA2 12 0.00000 726 24 GUA O1P 17.08145 -9.13029 -2.76656 DNA2 12 0.00000 727 24 GUA O2P 17.61500 -8.14039 -0.52463 DNA2 12 0.00000 728 24 GUA O5' 17.01862 -6.63594 -2.44582 DNA2 12 0.00000 729 24 GUA C5' 16.06149 -6.19310 -3.44080 DNA2 12 0.00000 730 24 GUA H5' 15.32231 -5.51224 -2.96713 DNA2 12 0.00000 731 24 GUA H5'' 15.66569 -7.07278 -3.99201 DNA2 12 0.00000 732 24 GUA C4' 16.76073 -5.35328 -4.48528 DNA2 12 0.00000 733 24 GUA H4' 16.15543 -5.28022 -5.41404 DNA2 12 0.00000 734 24 GUA O4' 16.92035 -3.99593 -3.96393 DNA2 12 0.00000 735 24 GUA C1' 18.27296 -3.77215 -3.61553 DNA2 12 0.00000 736 24 GUA H1' 18.64311 -2.99985 -4.32325 DNA2 12 0.00000 737 24 GUA N9 18.30442 -3.27309 -2.21452 DNA2 12 0.00000 738 24 GUA C4 18.39535 -1.95213 -1.83888 DNA2 12 0.00000 739 24 GUA N3 18.47601 -0.89297 -2.68761 DNA2 12 0.00000 740 24 GUA C2 18.56289 0.26780 -2.04251 DNA2 12 0.00000 741 24 GUA N1 18.55881 0.37742 -0.66742 DNA2 12 0.00000 742 24 GUA H1 18.61898 1.32460 -0.26724 DNA2 12 0.00000 743 24 GUA N2 18.65035 1.41300 -2.72513 DNA2 12 0.00000 744 24 GUA H21 18.72029 2.34501 -2.34228 DNA2 12 0.00000 745 24 GUA H22 18.64607 1.33872 -3.73238 DNA2 12 0.00000 746 24 GUA C6 18.47893 -0.70280 0.22904 DNA2 12 0.00000 747 24 GUA O6 18.49093 -0.48737 1.44071 DNA2 12 0.00000 748 24 GUA C5 18.39476 -1.93632 -0.45536 DNA2 12 0.00000 749 24 GUA N7 18.30312 -3.23805 0.04080 DNA2 12 0.00000 750 24 GUA C8 18.25083 -3.98411 -1.03342 DNA2 12 0.00000 751 24 GUA H8 18.17208 -5.07069 -1.06868 DNA2 12 0.00000 752 24 GUA C2' 19.03199 -5.07587 -3.81993 DNA2 12 0.00000 753 24 GUA H2'' 19.01735 -5.64447 -2.86557 DNA2 12 0.00000 754 24 GUA H2' 20.03123 -4.83817 -4.24341 DNA2 12 0.00000 755 24 GUA C3' 18.17761 -5.78064 -4.86103 DNA2 12 0.00000 756 24 GUA H3' 18.29609 -6.87622 -4.71970 DNA2 12 0.00000 757 24 GUA O3' 18.55095 -5.32572 -6.16008 DNA2 12 0.00000 758 24 GUA H3T 19.48553 -5.13572 -6.26985 DNA2 12 0.00000 * 5'-CGCGAATTCGCG-3' GENERATED COORDINATES, ALL-HYDROGEN * |||||||||||| IN A 60X36X36 CUBE OF SODIUM/WATER * 3'-GCGCTTAAGCGC-5' 1.6 A ATOM DELETE * TOP_ALL22_NA_B6F_NEWAT.INP * PAR_ALL22_NA_B6F_NT1.INP * DATE: 2/ 8/97 16:45:41 CREATED BY USER: nicolas * 8070 1 1 CYT H5T 20.64489 8.24226 3.13636 DNA1 1 0.00000 2 1 CYT O5' 20.12946 8.18526 2.32848 DNA1 1 0.00000 3 1 CYT C5' 21.06144 8.41821 1.24254 DNA1 1 0.00000 4 1 CYT H5' 21.80074 7.58924 1.21897 DNA1 1 0.00000 5 1 CYT H5'' 21.44458 9.45858 1.31432 DNA1 1 0.00000 6 1 CYT C4' 20.33358 8.34699 -0.07994 DNA1 1 0.00000 7 1 CYT H4' 20.91865 8.83779 -0.88687 DNA1 1 0.00000 8 1 CYT O4' 20.17578 6.94093 -0.45253 DNA1 1 0.00000 9 1 CYT C1' 18.82953 6.54607 -0.27267 DNA1 1 0.00000 10 1 CYT H1' 18.43845 6.33474 -1.29087 DNA1 1 0.00000 11 1 CYT N1 18.82518 5.31891 0.56945 DNA1 1 0.00000 12 1 CYT C6 18.92258 5.39052 1.92038 DNA1 1 0.00000 13 1 CYT H6 19.00734 6.38817 2.35118 DNA1 1 0.00000 14 1 CYT C2 18.72086 4.08885 -0.07481 DNA1 1 0.00000 15 1 CYT O2 18.63172 4.06396 -1.30922 DNA1 1 0.00000 16 1 CYT N3 18.71476 2.90862 0.86942 DNA1 1 0.00000 17 1 CYT C4 18.81075 3.01817 2.00814 DNA1 1 0.00000 18 1 CYT N4 18.80291 1.88454 2.69082 DNA1 1 0.00000 19 1 CYT H41 18.71566 1.01275 2.18836 DNA1 1 0.00000 20 1 CYT H42 18.88271 1.88837 3.69766 DNA1 1 0.00000 21 1 CYT C5 18.91427 4.26963 2.69268 DNA1 1 0.00000 22 1 CYT H5 18.98044 4.26724 3.78067 DNA1 1 0.00000 23 1 CYT C2' 18.07548 7.71636 0.34521 DNA1 1 0.00000 24 1 CYT H2'' 18.11590 7.61625 1.45095 DNA1 1 0.00000 25 1 CYT H2' 17.06518 7.76567 -0.11435 DNA1 1 0.00000 26 1 CYT C3' 18.91186 8.90442 -0.10281 DNA1 1 0.00000 27 1 CYT H3' 18.80453 9.70792 0.65692 DNA1 1 0.00000 28 1 CYT O3' 18.50703 9.29579 -1.41213 DNA1 1 0.00000 29 2 GUA P 16.95484 9.32575 -1.77611 DNA1 2 0.00000 30 2 GUA O1P 16.69516 10.38770 -2.76689 DNA1 2 0.00000 31 2 GUA O2P 16.16158 9.39851 -0.52511 DNA1 2 0.00000 32 2 GUA O5' 16.75801 7.89270 -2.44534 DNA1 2 0.00000 33 2 GUA C5' 17.71515 7.44963 -3.44059 DNA1 2 0.00000 34 2 GUA H5' 18.45394 6.76821 -2.96710 DNA1 2 0.00000 35 2 GUA H5'' 18.11145 8.32929 -3.99145 DNA1 2 0.00000 36 2 GUA C4' 17.01589 6.61026 -4.48596 DNA1 2 0.00000 37 2 GUA H4' 17.62125 6.53699 -5.41466 DNA1 2 0.00000 38 2 GUA O4' 16.85628 5.25275 -3.96418 DNA1 2 0.00000 39 2 GUA C1' 15.50366 5.02916 -3.61531 DNA1 2 0.00000 40 2 GUA H1' 15.13318 4.25681 -4.32280 DNA1 2 0.00000 41 2 GUA N9 15.47220 4.53008 -2.21419 DNA1 2 0.00000 42 2 GUA C4 15.38127 3.20934 -1.83815 DNA1 2 0.00000 43 2 GUA N3 15.30060 2.15038 -2.68761 DNA1 2 0.00000 44 2 GUA C2 15.21370 0.99002 -2.04197 DNA1 2 0.00000 45 2 GUA N1 15.21780 0.87997 -0.66714 DNA1 2 0.00000 46 2 GUA H1 15.15764 -0.06733 -0.26727 DNA1 2 0.00000 47 2 GUA N2 15.12625 -0.15534 -2.72531 DNA1 2 0.00000 48 2 GUA H21 15.05627 -1.08750 -2.34284 DNA1 2 0.00000 49 2 GUA H22 15.13061 -0.08064 -3.73254 DNA1 2 0.00000 50 2 GUA C6 15.29768 1.96004 0.22981 DNA1 2 0.00000 51 2 GUA O6 15.28568 1.74462 1.44081 DNA1 2 0.00000 52 2 GUA C5 15.38182 3.19437 -0.45476 DNA1 2 0.00000 53 2 GUA N7 15.47348 4.49554 0.04000 DNA1 2 0.00000 54 2 GUA C8 15.52580 5.24078 -1.03341 DNA1 2 0.00000 55 2 GUA H8 15.60465 6.32735 -1.06884 DNA1 2 0.00000 56 2 GUA C2' 14.74462 6.33328 -3.81976 DNA1 2 0.00000 57 2 GUA H2'' 14.75993 6.90233 -2.86568 DNA1 2 0.00000 58 2 GUA H2' 13.74509 6.09578 -4.24266 DNA1 2 0.00000 59 2 GUA C3' 15.59902 7.03739 -4.86189 DNA1 2 0.00000 60 2 GUA H3' 15.48063 8.13310 -4.72143 DNA1 2 0.00000 61 2 GUA O3' 15.22567 6.58283 -6.15955 DNA1 2 0.00000 62 3 CYT P 13.68206 6.38240 -6.50562 DNA1 3 0.00000 63 3 CYT O1P 13.45166 6.65770 -7.93729 DNA1 3 0.00000 64 3 CYT O2P 12.86220 7.16980 -5.55333 DNA1 3 0.00000 65 3 CYT O5' 13.48978 4.82727 -6.21048 DNA1 3 0.00000 66 3 CYT C5' 14.46526 3.89144 -6.73459 DNA1 3 0.00000 67 3 CYT H5' 15.18899 3.62366 -5.93532 DNA1 3 0.00000 68 3 CYT H5'' 14.87933 4.28268 -7.68842 DNA1 3 0.00000 69 3 CYT C4' 13.78304 2.59424 -7.10172 DNA1 3 0.00000 70 3 CYT H4' 14.40857 1.99445 -7.79691 DNA1 3 0.00000 71 3 CYT O4' 13.60246 1.80015 -5.88603 DNA1 3 0.00000 72 3 CYT C1' 12.24098 1.81455 -5.50257 DNA1 3 0.00000 73 3 CYT H1' 11.88066 0.77130 -5.62954 DNA1 3 0.00000 74 3 CYT N1 12.17534 2.23371 -4.07661 DNA1 3 0.00000 75 3 CYT C6 12.22666 3.54324 -3.72302 DNA1 3 0.00000 76 3 CYT H6 12.32171 4.26414 -4.53504 DNA1 3 0.00000 77 3 CYT C2 12.06233 1.23719 -3.10983 DNA1 3 0.00000 78 3 CYT O2 12.01628 0.05483 -3.47135 DNA1 3 0.00000 79 3 CYT N3 11.99248 1.76948 -1.69679 DNA1 3 0.00000 80 3 CYT C4 12.05091 2.88817 -1.44611 DNA1 3 0.00000 81 3 CYT N4 11.98983 3.18471 -0.15750 DNA1 3 0.00000 82 3 CYT H41 11.89815 2.43430 0.51226 DNA1 3 0.00000 83 3 CYT H42 12.03397 4.14467 0.15337 DNA1 3 0.00000 84 3 CYT C5 12.16225 3.92936 -2.41997 DNA1 3 0.00000 85 3 CYT H5 12.18979 4.96428 -2.07896 DNA1 3 0.00000 86 3 CYT C2' 11.49586 2.74477 -6.45102 DNA1 3 0.00000 87 3 CYT H2'' 11.49414 3.76572 -6.01285 DNA1 3 0.00000 88 3 CYT H2' 10.50424 2.29697 -6.67570 DNA1 3 0.00000 89 3 CYT C3' 12.37780 2.70895 -7.68872 DNA1 3 0.00000 90 3 CYT H3' 12.26433 3.67741 -8.22119 DNA1 3 0.00000 91 3 CYT O3' 12.02975 1.57488 -8.47920 DNA1 3 0.00000 92 4 GUA P 10.49268 1.19863 -8.67498 DNA1 4 0.00000 93 4 GUA O1P 10.29558 0.57926 -10.00064 DNA1 4 0.00000 94 4 GUA O2P 9.65780 2.38973 -8.38590 DNA1 4 0.00000 95 4 GUA O5' 10.28293 0.11259 -7.52707 DNA1 4 0.00000 96 4 GUA C5' 11.26297 -0.94540 -7.38104 DNA1 4 0.00000 97 4 GUA H5' 11.96804 -0.68734 -6.56214 DNA1 4 0.00000 98 4 GUA H5'' 11.69944 -1.18623 -8.37392 DNA1 4 0.00000 99 4 GUA C4' 10.57979 -2.21677 -6.92967 DNA1 4 0.00000 100 4 GUA H4' 11.21534 -3.10668 -7.12578 DNA1 4 0.00000 101 4 GUA O4' 10.36701 -2.14608 -5.48450 DNA1 4 0.00000 102 4 GUA C1' 8.99761 -1.91889 -5.21209 DNA1 4 0.00000 103 4 GUA H1' 8.63287 -2.84029 -4.70980 DNA1 4 0.00000 104 4 GUA N9 8.90377 -0.74206 -4.30571 DNA1 4 0.00000 105 4 GUA C4 8.76571 -0.79685 -2.93760 DNA1 4 0.00000 106 4 GUA N3 8.68798 -1.93461 -2.19668 DNA1 4 0.00000 107 4 GUA C2 8.54854 -1.68365 -0.89702 DNA1 4 0.00000 108 4 GUA N1 8.50111 -0.40933 -0.36733 DNA1 4 0.00000 109 4 GUA H1 8.40243 -0.32407 0.65438 DNA1 4 0.00000 110 4 GUA N2 8.45588 -2.68902 -0.02251 DNA1 4 0.00000 111 4 GUA H21 8.34854 -2.61546 0.97907 DNA1 4 0.00000 112 4 GUA H22 8.49764 -3.62332 -0.40387 DNA1 4 0.00000 113 4 GUA C6 8.57696 0.77911 -1.11342 DNA1 4 0.00000 114 4 GUA O6 8.51660 1.86293 -0.53504 DNA1 4 0.00000 115 4 GUA C5 8.71696 0.51290 -2.49586 DNA1 4 0.00000 116 4 GUA N7 8.82440 1.39019 -3.57624 DNA1 4 0.00000 117 4 GUA C8 8.93379 0.60205 -4.61493 DNA1 4 0.00000 118 4 GUA H8 9.04164 0.90726 -5.65575 DNA1 4 0.00000 119 4 GUA C2' 8.28004 -1.72862 -6.54154 DNA1 4 0.00000 120 4 GUA H2'' 8.27545 -0.64496 -6.78645 DNA1 4 0.00000 121 4 GUA H2' 7.29064 -2.23047 -6.48181 DNA1 4 0.00000 122 4 GUA C3' 9.18853 -2.47764 -7.50297 DNA1 4 0.00000 123 4 GUA H3' 9.09382 -2.00645 -8.50463 DNA1 4 0.00000 124 4 GUA O3' 8.84979 -3.86207 -7.48414 DNA1 4 0.00000 125 5 ADE P 7.31475 -4.29287 -7.45506 DNA1 5 0.00000 126 5 ADE O1P 7.14227 -5.57355 -8.16760 DNA1 5 0.00000 127 5 ADE O2P 6.48221 -3.16467 -7.93852 DNA1 5 0.00000 128 5 ADE O5' 7.07226 -4.49934 -5.89389 DNA1 5 0.00000 129 5 ADE C5' 8.04132 -5.26233 -5.13167 DNA1 5 0.00000 130 5 ADE H5' 8.72927 -4.56701 -4.60482 DNA1 5 0.00000 131 5 ADE H5'' 8.49870 -6.03719 -5.78336 DNA1 5 0.00000 132 5 ADE C4' 7.33942 -6.03101 -4.03547 DNA1 5 0.00000 133 5 ADE H4' 7.97293 -6.86179 -3.65759 DNA1 5 0.00000 134 5 ADE O4' 7.09560 -5.12628 -2.91221 DNA1 5 0.00000 135 5 ADE C1' 5.72222 -4.79222 -2.85505 DNA1 5 0.00000 136 5 ADE H1' 5.34020 -5.24558 -1.91545 DNA1 5 0.00000 137 5 ADE C5 5.40030 -1.25185 -2.12510 DNA1 5 0.00000 138 5 ADE N7 5.54791 -1.18478 -3.49939 DNA1 5 0.00000 139 5 ADE C8 5.66421 -2.42717 -3.86191 DNA1 5 0.00000 140 5 ADE H8 5.78943 -2.80015 -4.87842 DNA1 5 0.00000 141 5 ADE N9 5.61697 -3.30893 -2.81483 DNA1 5 0.00000 142 5 ADE N1 5.12837 -0.66714 0.13613 DNA1 5 0.00000 143 5 ADE C2 5.18683 -1.96898 0.40196 DNA1 5 0.00000 144 5 ADE H2 5.09070 -2.24374 1.45237 DNA1 5 0.00000 145 5 ADE N3 5.34467 -2.98321 -0.42025 DNA1 5 0.00000 146 5 ADE C4 5.44838 -2.54347 -1.68841 DNA1 5 0.00000 147 5 ADE C6 5.23328 -0.25965 -1.13694 DNA1 5 0.00000 148 5 ADE N6 5.17480 1.04263 -1.39998 DNA1 5 0.00000 149 5 ADE H61 5.05301 1.69157 -0.63568 DNA1 5 0.00000 150 5 ADE H62 5.25352 1.35270 -2.35797 DNA1 5 0.00000 151 5 ADE C2' 5.03525 -5.42396 -4.05779 DNA1 5 0.00000 152 5 ADE H2'' 5.04376 -4.69091 -4.89259 DNA1 5 0.00000 153 5 ADE H2' 4.04123 -5.80202 -3.73636 DNA1 5 0.00000 154 5 ADE C3' 5.95920 -6.58836 -4.37563 DNA1 5 0.00000 155 5 ADE H3' 5.88924 -6.79639 -5.46473 DNA1 5 0.00000 156 5 ADE O3' 5.61036 -7.70137 -3.55503 DNA1 5 0.00000 157 6 ADE P 4.07204 -8.04397 -3.31227 DNA1 6 0.00000 158 6 ADE O1P 3.90606 -9.49929 -3.13945 DNA1 6 0.00000 159 6 ADE O2P 3.25827 -7.42021 -4.38373 DNA1 6 0.00000 160 6 ADE O5' 3.79398 -7.29475 -1.93264 DNA1 6 0.00000 161 6 ADE C5' 4.74069 -7.45777 -0.84671 DNA1 6 0.00000 162 6 ADE H5' 5.42199 -6.58080 -0.81386 DNA1 6 0.00000 163 6 ADE H5'' 5.20659 -8.46445 -0.90885 DNA1 6 0.00000 164 6 ADE C4' 4.00956 -7.44086 0.47577 DNA1 6 0.00000 165 6 ADE H4' 4.62949 -7.88680 1.28271 DNA1 6 0.00000 166 6 ADE O4' 3.74766 -6.05042 0.84836 DNA1 6 0.00000 167 6 ADE C1' 2.37578 -5.75674 0.66850 DNA1 6 0.00000 168 6 ADE H1' 1.97007 -5.57507 1.68670 DNA1 6 0.00000 169 6 ADE C5 2.06315 -2.46585 -0.82861 DNA1 6 0.00000 170 6 ADE N7 2.24120 -3.21648 -1.97664 DNA1 6 0.00000 171 6 ADE C8 2.35657 -4.43408 -1.53624 DNA1 6 0.00000 172 6 ADE H8 2.50149 -5.33270 -2.13590 DNA1 6 0.00000 173 6 ADE N9 2.28021 -4.53330 -0.17362 DNA1 6 0.00000 174 6 ADE N1 1.74599 -0.66610 0.65226 DNA1 6 0.00000 175 6 ADE C2 1.78934 -1.56210 1.63340 DNA1 6 0.00000 176 6 ADE H2 1.66853 -1.16818 2.64253 DNA1 6 0.00000 177 6 ADE N3 1.95796 -2.86589 1.56728 DNA1 6 0.00000 178 6 ADE C4 2.09246 -3.25328 0.28489 DNA1 6 0.00000 179 6 ADE C6 1.88160 -1.08324 -0.61467 DNA1 6 0.00000 180 6 ADE N6 1.83810 -0.18341 -1.59427 DNA1 6 0.00000 181 6 ADE H61 1.70424 0.78979 -1.35962 DNA1 6 0.00000 182 6 ADE H62 1.93994 -0.49447 -2.54977 DNA1 6 0.00000 183 6 ADE C2' 1.71082 -6.97984 0.05063 DNA1 6 0.00000 184 6 ADE H2'' 1.74369 -6.87701 -1.05512 DNA1 6 0.00000 185 6 ADE H2' 0.70699 -7.10413 0.51018 DNA1 6 0.00000 186 6 ADE C3' 2.63322 -8.10244 0.49864 DNA1 6 0.00000 187 6 ADE H3' 2.58591 -8.91169 -0.26109 DNA1 6 0.00000 188 6 ADE O3' 2.25859 -8.52282 1.80796 DNA1 6 0.00000 189 7 THY P 0.71293 -8.66810 2.17194 DNA1 7 0.00000 190 7 THY O1P 0.53291 -9.74641 3.16272 DNA1 7 0.00000 191 7 THY O2P -0.07272 -8.79963 0.92094 DNA1 7 0.00000 192 7 THY O5' 0.41010 -7.25365 2.84117 DNA1 7 0.00000 193 7 THY C5' 1.33166 -6.74064 3.83642 DNA1 7 0.00000 194 7 THY H5' 2.01774 -6.00619 3.36293 DNA1 7 0.00000 195 7 THY H5'' 1.79226 -7.58841 4.38728 DNA1 7 0.00000 196 7 THY C4' 0.57193 -5.95558 4.88179 DNA1 7 0.00000 197 7 THY H4' 1.17017 -5.83752 5.81049 DNA1 7 0.00000 198 7 THY O4' 0.31183 -4.61370 4.36001 DNA1 7 0.00000 199 7 THY C1' -1.05367 -4.49129 4.01114 DNA1 7 0.00000 200 7 THY H1' -1.48054 -3.74862 4.71863 DNA1 7 0.00000 201 7 THY N1 -1.12214 -3.99592 2.61002 DNA1 7 0.00000 202 7 THY C6 -0.98978 -4.86334 1.55394 DNA1 7 0.00000 203 7 THY H6 -0.83014 -5.91493 1.79224 DNA1 7 0.00000 204 7 THY C2 -1.32257 -2.64385 2.42776 DNA1 7 0.00000 205 7 THY O2 -1.44166 -1.86414 3.35676 DNA1 7 0.00000 206 7 THY N3 -1.37804 -2.22896 1.11248 DNA1 7 0.00000 207 7 THY H3 -1.53251 -1.16326 0.94358 DNA1 7 0.00000 208 7 THY C4 -1.25846 -3.02192 -0.00415 DNA1 7 0.00000 209 7 THY O4 -1.32664 -2.53450 -1.13912 DNA1 7 0.00000 210 7 THY C5 -1.05627 -4.42118 0.28224 DNA1 7 0.00000 211 7 THY C5M -0.91261 -5.32341 -0.90572 DNA1 7 0.00000 212 7 THY H51 -0.74949 -6.37058 -0.57234 DNA1 7 0.00000 213 7 THY H52 0.00138 -4.97714 -1.43395 DNA1 7 0.00000 214 7 THY H53 -1.74904 -5.35521 -1.63626 DNA1 7 0.00000 215 7 THY C2' -1.71365 -5.84822 4.21559 DNA1 7 0.00000 216 7 THY H2'' -1.65607 -6.41456 3.26151 DNA1 7 0.00000 217 7 THY H2' -2.72808 -5.68569 4.63848 DNA1 7 0.00000 218 7 THY C3' -0.80927 -6.48687 5.25772 DNA1 7 0.00000 219 7 THY H3' -0.84587 -7.58835 5.11726 DNA1 7 0.00000 220 7 THY O3' -1.21538 -6.06132 6.55538 DNA1 7 0.00000 221 8 THY P -2.76962 -5.97620 6.90144 DNA1 8 0.00000 222 8 THY O1P -2.97892 -6.26787 8.33312 DNA1 8 0.00000 223 8 THY O2P -3.52867 -6.82238 5.94915 DNA1 8 0.00000 224 8 THY O5' -3.07699 -4.43967 6.60631 DNA1 8 0.00000 225 8 THY C5' -2.17377 -3.43391 7.13041 DNA1 8 0.00000 226 8 THY H5' -1.47196 -3.11306 6.33114 DNA1 8 0.00000 227 8 THY H5'' -1.73177 -3.79328 8.08425 DNA1 8 0.00000 228 8 THY C4' -2.95055 -2.19102 7.49755 DNA1 8 0.00000 229 8 THY H4' -2.37134 -1.54638 8.19273 DNA1 8 0.00000 230 8 THY O4' -3.18967 -1.41255 6.28185 DNA1 8 0.00000 231 8 THY C1' -4.54631 -1.52813 5.89840 DNA1 8 0.00000 232 8 THY H1' -4.98318 -0.51455 6.02536 DNA1 8 0.00000 233 8 THY N1 -4.58060 -1.95101 4.47243 DNA1 8 0.00000 234 8 THY C6 -4.43135 -3.27213 4.12973 DNA1 8 0.00000 235 8 THY H6 -4.28435 -3.98182 4.94388 DNA1 8 0.00000 236 8 THY C2 -4.76742 -0.96453 3.52624 DNA1 8 0.00000 237 8 THY O2 -4.90123 0.21065 3.81696 DNA1 8 0.00000 238 8 THY N3 -4.79116 -1.40227 2.21652 DNA1 8 0.00000 239 8 THY H3 -4.93429 -0.64010 1.45055 DNA1 8 0.00000 240 8 THY C4 -4.65279 -2.69978 1.78125 DNA1 8 0.00000 241 8 THY O4 -4.69273 -2.97121 0.57541 DNA1 8 0.00000 242 8 THY C5 -4.46688 -3.66196 2.84028 DNA1 8 0.00000 243 8 THY C5M -4.30367 -5.08935 2.41139 DNA1 8 0.00000 244 8 THY H51 -4.15521 -5.74026 3.29943 DNA1 8 0.00000 245 8 THY H52 -3.37598 -5.11262 1.80052 DNA1 8 0.00000 246 8 THY H53 -5.12420 -5.54984 1.82064 DNA1 8 0.00000 247 8 THY C2' -5.22021 -2.51118 6.84685 DNA1 8 0.00000 248 8 THY H2'' -5.14602 -3.52942 6.40868 DNA1 8 0.00000 249 8 THY H2' -6.24237 -2.13833 7.07153 DNA1 8 0.00000 250 8 THY C3' -4.34337 -2.40988 8.08455 DNA1 8 0.00000 251 8 THY H3' -4.38453 -3.38410 8.61701 DNA1 8 0.00000 252 8 THY O3' -4.77477 -1.30482 8.87502 DNA1 8 0.00000 253 9 CYT P -6.33556 -1.04389 9.07080 DNA1 9 0.00000 254 9 CYT O1P -6.57816 -0.44089 10.39646 DNA1 9 0.00000 255 9 CYT O2P -7.07958 -2.29376 8.78172 DNA1 9 0.00000 256 9 CYT O5' -6.62547 0.02355 7.92290 DNA1 9 0.00000 257 9 CYT C5' -5.72680 1.15147 7.77686 DNA1 9 0.00000 258 9 CYT H5' -5.00449 0.94655 6.95797 DNA1 9 0.00000 259 9 CYT H5'' -5.30943 1.42408 8.76974 DNA1 9 0.00000 260 9 CYT C4' -6.50261 2.36854 7.32550 DNA1 9 0.00000 261 9 CYT H4' -5.93498 3.30323 7.52160 DNA1 9 0.00000 262 9 CYT O4' -6.70954 2.28222 5.88032 DNA1 9 0.00000 263 9 CYT C1' -8.05826 1.95385 5.60791 DNA1 9 0.00000 264 9 CYT H1' -8.49049 2.84559 5.10562 DNA1 9 0.00000 265 9 CYT N1 -8.06435 0.77330 4.70153 DNA1 9 0.00000 266 9 CYT C6 -7.91739 -0.48651 5.18459 DNA1 9 0.00000 267 9 CYT H6 -7.79197 -0.58500 6.26287 DNA1 9 0.00000 268 9 CYT C2 -8.22295 1.00165 3.33641 DNA1 9 0.00000 269 9 CYT O2 -8.35631 2.16474 2.93604 DNA1 9 0.00000 270 9 CYT N3 -8.22595 -0.26189 2.50690 DNA1 9 0.00000 271 9 CYT C4 -8.08696 -1.30747 2.96030 DNA1 9 0.00000 272 9 CYT N4 -8.09973 -2.30852 2.09419 DNA1 9 0.00000 273 9 CYT H41 -8.22701 -2.10377 1.11339 DNA1 9 0.00000 274 9 CYT H42 -7.98433 -3.26207 2.40647 DNA1 9 0.00000 275 9 CYT C5 -7.92717 -1.56791 4.35771 DNA1 9 0.00000 276 9 CYT H5 -7.82263 -2.60107 4.68901 DNA1 9 0.00000 277 9 CYT C2' -8.75970 1.71076 6.93736 DNA1 9 0.00000 278 9 CYT H2'' -8.68371 0.62976 7.18227 DNA1 9 0.00000 279 9 CYT H2' -9.78367 2.13767 6.87763 DNA1 9 0.00000 280 9 CYT C3' -7.90941 2.52525 7.89879 DNA1 9 0.00000 281 9 CYT H3' -7.96883 2.04833 8.90045 DNA1 9 0.00000 282 9 CYT O3' -8.35014 3.88067 7.87996 DNA1 9 0.00000 283 10 GUA P -9.91295 4.19615 7.85088 DNA1 10 0.00000 284 10 GUA O1P -10.18017 5.46046 8.56342 DNA1 10 0.00000 285 10 GUA O2P -10.65932 3.00918 8.33434 DNA1 10 0.00000 286 10 GUA O5' -10.17012 4.38402 6.28970 DNA1 10 0.00000 287 10 GUA C5' -9.26047 5.21695 5.52749 DNA1 10 0.00000 288 10 GUA H5' -8.52273 4.57469 5.00064 DNA1 10 0.00000 289 10 GUA H5'' -8.86196 6.02367 6.17918 DNA1 10 0.00000 290 10 GUA C4' -10.01757 5.93131 4.43129 DNA1 10 0.00000 291 10 GUA H4' -9.44758 6.80690 4.05341 DNA1 10 0.00000 292 10 GUA O4' -10.19345 5.01096 3.30803 DNA1 10 0.00000 293 10 GUA C1' -11.53819 4.57573 3.25087 DNA1 10 0.00000 294 10 GUA H1' -11.95286 4.99943 2.31127 DNA1 10 0.00000 295 10 GUA N9 -11.53288 3.08871 3.21064 DNA1 10 0.00000 296 10 GUA C4 -11.64435 2.31989 2.07452 DNA1 10 0.00000 297 10 GUA N3 -11.78216 2.79611 0.80847 DNA1 10 0.00000 298 10 GUA C2 -11.87595 1.82095 -0.09229 DNA1 10 0.00000 299 10 GUA N1 -11.82605 0.48019 0.22833 DNA1 10 0.00000 300 10 GUA H1 -11.89633 -0.19529 -0.54605 DNA1 10 0.00000 301 10 GUA N2 -12.01689 2.11245 -1.38854 DNA1 10 0.00000 302 10 GUA H21 -12.09716 1.45788 -2.15352 DNA1 10 0.00000 303 10 GUA H22 -12.04634 3.09288 -1.62937 DNA1 10 0.00000 304 10 GUA C6 -11.68679 -0.03488 1.52918 DNA1 10 0.00000 305 10 GUA O6 -11.66144 -1.25354 1.69932 DNA1 10 0.00000 306 10 GUA C5 -11.59523 1.00011 2.48703 DNA1 10 0.00000 307 10 GUA N7 -11.45269 0.93444 3.87427 DNA1 10 0.00000 308 10 GUA C8 -11.41929 2.18799 4.24950 DNA1 10 0.00000 309 10 GUA H8 -11.31395 2.56036 5.26849 DNA1 10 0.00000 310 10 GUA C2' -12.27024 5.15464 4.45361 DNA1 10 0.00000 311 10 GUA H2'' -12.20725 4.42426 5.28841 DNA1 10 0.00000 312 10 GUA H2' -13.28961 5.45776 4.13218 DNA1 10 0.00000 313 10 GUA C3' -11.43541 6.38451 4.77144 DNA1 10 0.00000 314 10 GUA H3' -11.52064 6.58676 5.86055 DNA1 10 0.00000 315 10 GUA O3' -11.86603 7.46850 3.95085 DNA1 10 0.00000 316 11 CYT P -13.42556 7.69579 3.70809 DNA1 11 0.00000 317 11 CYT O1P -13.69928 9.13475 3.53527 DNA1 11 0.00000 318 11 CYT O2P -14.19070 7.01326 4.77954 DNA1 11 0.00000 319 11 CYT O5' -13.64715 6.92797 2.32846 DNA1 11 0.00000 320 11 CYT C5' -12.71517 7.16093 1.24252 DNA1 11 0.00000 321 11 CYT H5' -11.97057 6.33703 1.20968 DNA1 11 0.00000 322 11 CYT H5'' -12.32541 8.19946 1.30467 DNA1 11 0.00000 323 11 CYT C4' -13.44303 7.08971 -0.07996 DNA1 11 0.00000 324 11 CYT H4' -12.85796 7.58050 -0.88689 DNA1 11 0.00000 325 11 CYT O4' -13.60083 5.68364 -0.45254 DNA1 11 0.00000 326 11 CYT C1' -14.94708 5.28878 -0.27269 DNA1 11 0.00000 327 11 CYT H1' -15.33815 5.07745 -1.29089 DNA1 11 0.00000 328 11 CYT N1 -14.95143 4.06162 0.56943 DNA1 11 0.00000 329 11 CYT C6 -14.85403 4.13323 1.92036 DNA1 11 0.00000 330 11 CYT H6 -14.76927 5.13089 2.35116 DNA1 11 0.00000 331 11 CYT C2 -15.05575 2.83156 -0.07483 DNA1 11 0.00000 332 11 CYT O2 -15.14488 2.80667 -1.30924 DNA1 11 0.00000 333 11 CYT N3 -15.06185 1.65133 0.86940 DNA1 11 0.00000 334 11 CYT C4 -14.96586 1.76089 2.00812 DNA1 11 0.00000 335 11 CYT N4 -14.97370 0.62725 2.69080 DNA1 11 0.00000 336 11 CYT H41 -15.06095 -0.24454 2.18834 DNA1 11 0.00000 337 11 CYT H42 -14.89390 0.63108 3.69764 DNA1 11 0.00000 338 11 CYT C5 -14.86234 3.01235 2.69266 DNA1 11 0.00000 339 11 CYT H5 -14.79617 3.00996 3.78065 DNA1 11 0.00000 340 11 CYT C2' -15.70113 6.45907 0.34519 DNA1 11 0.00000 341 11 CYT H2'' -15.66071 6.35896 1.45093 DNA1 11 0.00000 342 11 CYT H2' -16.71142 6.50839 -0.11437 DNA1 11 0.00000 343 11 CYT C3' -14.86474 7.64713 -0.10283 DNA1 11 0.00000 344 11 CYT H3' -14.97208 8.45063 0.65690 DNA1 11 0.00000 345 11 CYT O3' -15.26958 8.03850 -1.41215 DNA1 11 0.00000 346 12 GUA P -16.82177 8.06846 -1.77612 DNA1 12 0.00000 347 12 GUA O1P -17.08145 9.13041 -2.76691 DNA1 12 0.00000 348 12 GUA O2P -17.61503 8.14122 -0.52513 DNA1 12 0.00000 349 12 GUA O5' -17.01860 6.63542 -2.44536 DNA1 12 0.00000 350 12 GUA C5' -16.06146 6.19234 -3.44060 DNA1 12 0.00000 351 12 GUA H5' -15.32267 5.51093 -2.96711 DNA1 12 0.00000 352 12 GUA H5'' -15.66515 7.07200 -3.99147 DNA1 12 0.00000 353 12 GUA C4' -16.76072 5.35297 -4.48598 DNA1 12 0.00000 354 12 GUA H4' -16.15536 5.27971 -5.41468 DNA1 12 0.00000 355 12 GUA O4' -16.92033 3.99547 -3.96420 DNA1 12 0.00000 356 12 GUA C1' -18.27295 3.77188 -3.61533 DNA1 12 0.00000 357 12 GUA H1' -18.64343 2.99953 -4.32282 DNA1 12 0.00000 358 12 GUA N9 -18.30441 3.27279 -2.21421 DNA1 12 0.00000 359 12 GUA C4 -18.39534 1.95205 -1.83817 DNA1 12 0.00000 360 12 GUA N3 -18.47601 0.89309 -2.68763 DNA1 12 0.00000 361 12 GUA C2 -18.56290 -0.26727 -2.04199 DNA1 12 0.00000 362 12 GUA N1 -18.55881 -0.37732 -0.66716 DNA1 12 0.00000 363 12 GUA H1 -18.61897 -1.32462 -0.26728 DNA1 12 0.00000 364 12 GUA N2 -18.65036 -1.41263 -2.72533 DNA1 12 0.00000 365 12 GUA H21 -18.72034 -2.34478 -2.34286 DNA1 12 0.00000 366 12 GUA H22 -18.64599 -1.33793 -3.73256 DNA1 12 0.00000 367 12 GUA C6 -18.47893 0.70275 0.22979 DNA1 12 0.00000 368 12 GUA O6 -18.49093 0.48733 1.44080 DNA1 12 0.00000 369 12 GUA C5 -18.39479 1.93708 -0.45478 DNA1 12 0.00000 370 12 GUA N7 -18.30312 3.23825 0.03998 DNA1 12 0.00000 371 12 GUA C8 -18.25081 3.98349 -1.03343 DNA1 12 0.00000 372 12 GUA H8 -18.17196 5.07006 -1.06886 DNA1 12 0.00000 373 12 GUA C2' -19.03199 5.07599 -3.81978 DNA1 12 0.00000 374 12 GUA H2'' -19.01668 5.64504 -2.86570 DNA1 12 0.00000 375 12 GUA H2' -20.03152 4.83849 -4.24268 DNA1 12 0.00000 376 12 GUA C3' -18.17759 5.78011 -4.86191 DNA1 12 0.00000 377 12 GUA H3' -18.29598 6.87581 -4.72145 DNA1 12 0.00000 378 12 GUA O3' -18.55093 5.32554 -6.15957 DNA1 12 0.00000 379 12 GUA H3T -19.48556 5.13559 -6.26908 DNA1 12 0.00000 380 13 CYT H5T -20.64458 -8.24200 3.13650 DNA2 1 0.00000 381 13 CYT O5' -20.12948 -8.18473 2.32843 DNA2 1 0.00000 382 13 CYT C5' -21.06142 -8.41867 1.24312 DNA2 1 0.00000 383 13 CYT H5' -21.80145 -7.59034 1.21964 DNA2 1 0.00000 384 13 CYT H5'' -21.44364 -9.45935 1.31526 DNA2 1 0.00000 385 13 CYT C4' -20.33358 -8.34705 -0.08050 DNA2 1 0.00000 386 13 CYT H4' -20.91774 -8.83775 -0.88815 DNA2 1 0.00000 387 13 CYT O4' -20.17575 -6.94149 -0.45240 DNA2 1 0.00000 388 13 CYT C1' -18.82953 -6.54617 -0.27222 DNA2 1 0.00000 389 13 CYT H1' -18.43839 -6.33412 -1.29024 DNA2 1 0.00000 390 13 CYT N1 -18.82519 -5.31863 0.56945 DNA2 1 0.00000 391 13 CYT C6 -18.92256 -5.39097 1.92125 DNA2 1 0.00000 392 13 CYT H6 -19.00718 -6.38844 2.35251 DNA2 1 0.00000 393 13 CYT C2 -18.72089 -4.08795 -0.07505 DNA2 1 0.00000 394 13 CYT O2 -18.63170 -4.06455 -1.30890 DNA2 1 0.00000 395 13 CYT N3 -18.71479 -2.90782 0.86935 DNA2 1 0.00000 396 13 CYT C4 -18.81075 -3.01818 2.00810 DNA2 1 0.00000 397 13 CYT N4 -18.80292 -1.88439 2.69137 DNA2 1 0.00000 398 13 CYT H41 -18.71572 -1.01244 2.18918 DNA2 1 0.00000 399 13 CYT H42 -18.88267 -1.88855 3.69821 DNA2 1 0.00000 400 13 CYT C5 -18.91427 -4.26963 2.69312 DNA2 1 0.00000 401 13 CYT H5 -18.98046 -4.26692 3.78110 DNA2 1 0.00000 402 13 CYT C2' -18.07548 -7.71629 0.34485 DNA2 1 0.00000 403 13 CYT H2'' -18.11497 -7.61590 1.45060 DNA2 1 0.00000 404 13 CYT H2' -17.06557 -7.76556 -0.11556 DNA2 1 0.00000 405 13 CYT C3' -18.91187 -8.90435 -0.10204 DNA2 1 0.00000 406 13 CYT H3' -18.80482 -9.70696 0.65867 DNA2 1 0.00000 407 13 CYT O3' -18.50704 -9.29530 -1.41163 DNA2 1 0.00000 408 14 GUA P -16.95485 -9.32533 -1.77574 DNA2 2 0.00000 409 14 GUA O1P -16.69516 -10.38758 -2.76658 DNA2 2 0.00000 410 14 GUA O2P -16.16161 -9.39768 -0.52464 DNA2 2 0.00000 411 14 GUA O5' -16.75799 -7.89323 -2.44584 DNA2 2 0.00000 412 14 GUA C5' -17.71512 -7.45039 -3.44082 DNA2 2 0.00000 413 14 GUA H5' -18.45430 -6.76953 -2.96715 DNA2 2 0.00000 414 14 GUA H5'' -18.11092 -8.33007 -3.99203 DNA2 2 0.00000 415 14 GUA C4' -17.01587 -6.61057 -4.48530 DNA2 2 0.00000 416 14 GUA H4' -17.62117 -6.53751 -5.41406 DNA2 2 0.00000 417 14 GUA O4' -16.85626 -5.25322 -3.96395 DNA2 2 0.00000 418 14 GUA C1' -15.50364 -5.02943 -3.61555 DNA2 2 0.00000 419 14 GUA H1' -15.13349 -4.25714 -4.32327 DNA2 2 0.00000 420 14 GUA N9 -15.47219 -4.53038 -2.21454 DNA2 2 0.00000 421 14 GUA C4 -15.38126 -3.20942 -1.83890 DNA2 2 0.00000 422 14 GUA N3 -15.30060 -2.15026 -2.68763 DNA2 2 0.00000 423 14 GUA C2 -15.21372 -0.98949 -2.04253 DNA2 2 0.00000 424 14 GUA N1 -15.21780 -0.87986 -0.66744 DNA2 2 0.00000 425 14 GUA H1 -15.15763 0.06731 -0.26726 DNA2 2 0.00000 426 14 GUA N2 -15.12626 0.15572 -2.72515 DNA2 2 0.00000 427 14 GUA H21 -15.05632 1.08772 -2.34230 DNA2 2 0.00000 428 14 GUA H22 -15.13054 0.08143 -3.73240 DNA2 2 0.00000 429 14 GUA C6 -15.29768 -1.96009 0.22902 DNA2 2 0.00000 430 14 GUA O6 -15.28568 -1.74466 1.44069 DNA2 2 0.00000 431 14 GUA C5 -15.38185 -3.19361 -0.45538 DNA2 2 0.00000 432 14 GUA N7 -15.47349 -4.49533 0.04078 DNA2 2 0.00000 433 14 GUA C8 -15.52578 -5.24140 -1.03344 DNA2 2 0.00000 434 14 GUA H8 -15.60453 -6.32798 -1.06870 DNA2 2 0.00000 435 14 GUA C2' -14.74462 -6.33316 -3.81995 DNA2 2 0.00000 436 14 GUA H2'' -14.75926 -6.90176 -2.86559 DNA2 2 0.00000 437 14 GUA H2' -13.74538 -6.09546 -4.24343 DNA2 2 0.00000 438 14 GUA C3' -15.59900 -7.03792 -4.86105 DNA2 2 0.00000 439 14 GUA H3' -15.48051 -8.13351 -4.71971 DNA2 2 0.00000 440 14 GUA O3' -15.22566 -6.58301 -6.16010 DNA2 2 0.00000 441 15 CYT P -13.68204 -6.38269 -6.50630 DNA2 3 0.00000 442 15 CYT O1P -13.45166 -6.65748 -7.93697 DNA2 3 0.00000 443 15 CYT O2P -12.86220 -7.16976 -5.55358 DNA2 3 0.00000 444 15 CYT O5' -13.48975 -4.82779 -6.21077 DNA2 3 0.00000 445 15 CYT C5' -14.46524 -3.89188 -6.73479 DNA2 3 0.00000 446 15 CYT H5' -15.18913 -3.62438 -5.93557 DNA2 3 0.00000 447 15 CYT H5'' -14.87911 -4.28289 -7.68880 DNA2 3 0.00000 448 15 CYT C4' -13.78304 -2.59423 -7.10154 DNA2 3 0.00000 449 15 CYT H4' -14.40869 -1.99450 -7.79667 DNA2 3 0.00000 450 15 CYT O4' -13.60245 -1.80021 -5.88596 DNA2 3 0.00000 451 15 CYT C1' -12.24099 -1.81416 -5.50273 DNA2 3 0.00000 452 15 CYT H1' -11.88087 -0.77092 -5.63038 DNA2 3 0.00000 453 15 CYT N1 -12.17532 -2.23398 -4.07636 DNA2 3 0.00000 454 15 CYT C6 -12.22668 -3.54259 -3.72348 DNA2 3 0.00000 455 15 CYT H6 -12.32174 -4.26347 -4.53551 DNA2 3 0.00000 456 15 CYT C2 -12.06231 -1.23770 -3.11010 DNA2 3 0.00000 457 15 CYT O2 -12.01629 -0.05451 -3.47108 DNA2 3 0.00000 458 15 CYT N3 -11.99249 -1.76906 -1.69684 DNA2 3 0.00000 459 15 CYT C4 -12.05092 -2.88772 -1.44566 DNA2 3 0.00000 460 15 CYT N4 -11.98983 -3.18492 -0.15756 DNA2 3 0.00000 461 15 CYT H41 -11.89804 -2.43489 0.51261 DNA2 3 0.00000 462 15 CYT H42 -12.03403 -4.14504 0.15277 DNA2 3 0.00000 463 15 CYT C5 -12.16227 -3.92890 -2.41983 DNA2 3 0.00000 464 15 CYT H5 -12.18982 -4.96387 -2.07899 DNA2 3 0.00000 465 15 CYT C2' -11.49585 -2.74480 -6.45069 DNA2 3 0.00000 466 15 CYT H2'' -11.49455 -3.76569 -6.01241 DNA2 3 0.00000 467 15 CYT H2' -10.50405 -2.29737 -6.67532 DNA2 3 0.00000 468 15 CYT C3' -12.37780 -2.70878 -7.68868 DNA2 3 0.00000 469 15 CYT H3' -12.26433 -3.67714 -8.22133 DNA2 3 0.00000 470 15 CYT O3' -12.02972 -1.57533 -8.47958 DNA2 3 0.00000 471 16 GUA P -10.49266 -1.19883 -8.67545 DNA2 4 0.00000 472 16 GUA O1P -10.29556 -0.57973 -10.00009 DNA2 4 0.00000 473 16 GUA O2P -9.65778 -2.38995 -8.38606 DNA2 4 0.00000 474 16 GUA O5' -10.28289 -0.11351 -7.52727 DNA2 4 0.00000 475 16 GUA C5' -11.26295 0.94513 -7.37988 DNA2 4 0.00000 476 16 GUA H5' -11.96678 0.68739 -6.55981 DNA2 4 0.00000 477 16 GUA H5'' -11.70095 1.18580 -8.37213 DNA2 4 0.00000 478 16 GUA C4' -10.57978 2.21680 -6.92995 DNA2 4 0.00000 479 16 GUA H4' -11.21553 3.10660 -7.12591 DNA2 4 0.00000 480 16 GUA O4' -10.36699 2.14582 -5.48419 DNA2 4 0.00000 481 16 GUA C1' -8.99758 1.91831 -5.21173 DNA2 4 0.00000 482 16 GUA H1' -8.63265 2.83964 -4.70944 DNA2 4 0.00000 483 16 GUA N9 -8.90377 0.74222 -4.30551 DNA2 4 0.00000 484 16 GUA C4 -8.76570 0.79658 -2.93730 DNA2 4 0.00000 485 16 GUA N3 -8.68796 1.93425 -2.19625 DNA2 4 0.00000 486 16 GUA C2 -8.54850 1.68257 -0.89700 DNA2 4 0.00000 487 16 GUA N1 -8.50113 0.40995 -0.36739 DNA2 4 0.00000 488 16 GUA H1 -8.40256 0.32512 0.65437 DNA2 4 0.00000 489 16 GUA N2 -8.45589 2.68931 -0.02273 DNA2 4 0.00000 490 16 GUA H21 -8.34850 2.61657 0.97891 DNA2 4 0.00000 491 16 GUA H22 -8.49780 3.62330 -0.40483 DNA2 4 0.00000 492 16 GUA C6 -8.57694 -0.77937 -1.11386 DNA2 4 0.00000 493 16 GUA O6 -8.51659 -1.86321 -0.53531 DNA2 4 0.00000 494 16 GUA C5 -8.71693 -0.51355 -2.49554 DNA2 4 0.00000 495 16 GUA N7 -8.82442 -1.38947 -3.57602 DNA2 4 0.00000 496 16 GUA C8 -8.93380 -0.60167 -4.61416 DNA2 4 0.00000 497 16 GUA H8 -9.04173 -0.90685 -5.65499 DNA2 4 0.00000 498 16 GUA C2' -8.28000 1.72785 -6.54118 DNA2 4 0.00000 499 16 GUA H2'' -8.27616 0.64430 -6.78661 DNA2 4 0.00000 500 16 GUA H2' -7.29028 2.22906 -6.48151 DNA2 4 0.00000 501 16 GUA C3' -9.18853 2.47806 -7.50220 DNA2 4 0.00000 502 16 GUA H3' -9.09343 2.00795 -8.50433 DNA2 4 0.00000 503 16 GUA O3' -8.84977 3.86185 -7.48441 DNA2 4 0.00000 504 17 ADE P -7.31473 4.29253 -7.45548 DNA2 5 0.00000 505 17 ADE O1P -7.14227 5.57376 -8.16771 DNA2 5 0.00000 506 17 ADE O2P -6.48219 3.16445 -7.93854 DNA2 5 0.00000 507 17 ADE O5' -7.07225 4.49905 -5.89310 DNA2 5 0.00000 508 17 ADE C5' -8.04130 5.26220 -5.13114 DNA2 5 0.00000 509 17 ADE H5' -8.72919 4.56700 -4.60404 DNA2 5 0.00000 510 17 ADE H5'' -8.49877 6.03680 -5.78309 DNA2 5 0.00000 511 17 ADE C4' -7.33941 6.03077 -4.03589 DNA2 5 0.00000 512 17 ADE H4' -7.97353 6.86133 -3.65856 DNA2 5 0.00000 513 17 ADE O4' -7.09559 5.12618 -2.91189 DNA2 5 0.00000 514 17 ADE C1' -5.72222 4.79225 -2.85523 DNA2 5 0.00000 515 17 ADE H1' -5.33995 5.24558 -1.91572 DNA2 5 0.00000 516 17 ADE C5 -5.40030 1.25186 -2.12542 DNA2 5 0.00000 517 17 ADE N7 -5.54788 1.18404 -3.49943 DNA2 5 0.00000 518 17 ADE C8 -5.66420 2.42703 -3.86081 DNA2 5 0.00000 519 17 ADE H8 -5.78962 2.80098 -4.87694 DNA2 5 0.00000 520 17 ADE N9 -5.61697 3.30878 -2.81525 DNA2 5 0.00000 521 17 ADE N1 -5.12838 0.66766 0.13647 DNA2 5 0.00000 522 17 ADE C2 -5.18684 1.96917 0.40190 DNA2 5 0.00000 523 17 ADE H2 -5.09069 2.24364 1.45239 DNA2 5 0.00000 524 17 ADE N3 -5.34471 2.98422 -0.42049 DNA2 5 0.00000 525 17 ADE C4 -5.44839 2.54376 -1.68801 DNA2 5 0.00000 526 17 ADE C6 -5.23329 0.25988 -1.13695 DNA2 5 0.00000 527 17 ADE N6 -5.17477 -1.04339 -1.39996 DNA2 5 0.00000 528 17 ADE H61 -5.05302 -1.69220 -0.63555 DNA2 5 0.00000 529 17 ADE H62 -5.25346 -1.35361 -2.35791 DNA2 5 0.00000 530 17 ADE C2' -5.03526 5.42443 -4.05878 DNA2 5 0.00000 531 17 ADE H2'' -5.04426 4.69156 -4.89373 DNA2 5 0.00000 532 17 ADE H2' -4.04104 5.80225 -3.73770 DNA2 5 0.00000 533 17 ADE C3' -5.95923 6.58919 -4.37602 DNA2 5 0.00000 534 17 ADE H3' -5.88957 6.79793 -5.46501 DNA2 5 0.00000 535 17 ADE O3' -5.61034 7.70094 -3.55481 DNA2 5 0.00000 536 18 ADE P -4.07200 8.04312 -3.31210 DNA2 6 0.00000 537 18 ADE O1P -3.90608 9.50008 -3.14011 DNA2 6 0.00000 538 18 ADE O2P -3.25828 7.42059 -4.38432 DNA2 6 0.00000 539 18 ADE O5' -3.79395 7.29421 -1.93262 DNA2 6 0.00000 540 18 ADE C5' -4.74071 7.45822 -0.84732 DNA2 6 0.00000 541 18 ADE H5' -5.42277 6.58184 -0.81456 DNA2 6 0.00000 542 18 ADE H5'' -5.20571 8.46529 -0.90983 DNA2 6 0.00000 543 18 ADE C4' -4.00956 7.44091 0.47631 DNA2 6 0.00000 544 18 ADE H4' -4.62858 7.88682 1.28395 DNA2 6 0.00000 545 18 ADE O4' -3.74768 6.05097 0.84820 DNA2 6 0.00000 546 18 ADE C1' -2.37579 5.75682 0.66802 DNA2 6 0.00000 547 18 ADE H1' -1.96997 5.57444 1.68604 DNA2 6 0.00000 548 18 ADE C5 -2.06314 2.46565 -0.82881 DNA2 6 0.00000 549 18 ADE N7 -2.24119 3.21641 -1.97604 DNA2 6 0.00000 550 18 ADE C8 -2.35656 4.43378 -1.53653 DNA2 6 0.00000 551 18 ADE H8 -2.50143 5.33205 -2.13673 DNA2 6 0.00000 552 18 ADE N9 -2.28020 4.53300 -0.17364 DNA2 6 0.00000 553 18 ADE N1 -1.74596 0.66551 0.65287 DNA2 6 0.00000 554 18 ADE C2 -1.78935 1.56210 1.63255 DNA2 6 0.00000 555 18 ADE H2 -1.66823 1.16776 2.64147 DNA2 6 0.00000 556 18 ADE N3 -1.95793 2.86509 1.56706 DNA2 6 0.00000 557 18 ADE C4 -2.09245 3.25292 0.28495 DNA2 6 0.00000 558 18 ADE C6 -1.88158 1.08274 -0.61529 DNA2 6 0.00000 559 18 ADE N6 -1.83809 0.18335 -1.59452 DNA2 6 0.00000 560 18 ADE H61 -1.70429 -0.78987 -1.35992 DNA2 6 0.00000 561 18 ADE H62 -1.93988 0.49448 -2.55000 DNA2 6 0.00000 562 18 ADE C2' -1.71082 6.97977 0.05096 DNA2 6 0.00000 563 18 ADE H2'' -1.74273 6.87672 -1.05479 DNA2 6 0.00000 564 18 ADE H2' -0.70737 7.10398 0.51137 DNA2 6 0.00000 565 18 ADE C3' -2.63321 8.10236 0.49785 DNA2 6 0.00000 566 18 ADE H3' -2.58614 8.91070 -0.26286 DNA2 6 0.00000 567 18 ADE O3' -2.25858 8.52233 1.80744 DNA2 6 0.00000 568 19 THY P -0.71291 8.66766 2.17155 DNA2 7 0.00000 569 19 THY O1P -0.53291 9.74628 3.16239 DNA2 7 0.00000 570 19 THY O2P 0.07275 8.79878 0.92046 DNA2 7 0.00000 571 19 THY O5' -0.41012 7.25416 2.84165 DNA2 7 0.00000 572 19 THY C5' -1.33169 6.74139 3.83663 DNA2 7 0.00000 573 19 THY H5' -2.01820 6.00746 3.36295 DNA2 7 0.00000 574 19 THY H5'' -1.79179 7.58921 4.38783 DNA2 7 0.00000 575 19 THY C4' -0.57194 5.95588 4.88111 DNA2 7 0.00000 576 19 THY H4' -1.17014 5.83802 5.80987 DNA2 7 0.00000 577 19 THY O4' -0.31185 4.61415 4.35976 DNA2 7 0.00000 578 19 THY C1' 1.05365 4.49155 4.01136 DNA2 7 0.00000 579 19 THY H1' 1.48019 3.74891 4.71908 DNA2 7 0.00000 580 19 THY N1 1.12212 3.99621 2.61035 DNA2 7 0.00000 581 19 THY C6 0.98978 4.86334 1.55379 DNA2 7 0.00000 582 19 THY H6 0.83010 5.91487 1.79229 DNA2 7 0.00000 583 19 THY C2 1.32258 2.64360 2.42758 DNA2 7 0.00000 584 19 THY O2 1.44166 1.86391 3.35639 DNA2 7 0.00000 585 19 THY N3 1.37805 2.22875 1.11256 DNA2 7 0.00000 586 19 THY H3 1.53249 1.16300 0.94393 DNA2 7 0.00000 587 19 THY C4 1.25845 3.02216 -0.00528 DNA2 7 0.00000 588 19 THY O4 1.32666 2.53408 -1.13896 DNA2 7 0.00000 589 19 THY C5 1.05627 4.42133 0.28179 DNA2 7 0.00000 590 19 THY C5M 0.91263 5.32306 -0.90631 DNA2 7 0.00000 591 19 THY H51 0.74942 6.37033 -0.57328 DNA2 7 0.00000 592 19 THY H52 -0.00133 4.97657 -1.43448 DNA2 7 0.00000 593 19 THY H53 1.74909 5.35468 -1.63683 DNA2 7 0.00000 594 19 THY C2' 1.71365 5.84810 4.21576 DNA2 7 0.00000 595 19 THY H2'' 1.65678 6.41403 3.26140 DNA2 7 0.00000 596 19 THY H2' 2.72780 5.68534 4.63924 DNA2 7 0.00000 597 19 THY C3' 0.80924 6.48739 5.25686 DNA2 7 0.00000 598 19 THY H3' 0.84595 7.58875 5.11553 DNA2 7 0.00000 599 19 THY O3' 1.21536 6.06149 6.55591 DNA2 7 0.00000 600 20 THY P 2.76960 5.97648 6.90212 DNA2 8 0.00000 601 20 THY O1P 2.97891 6.26764 8.33278 DNA2 8 0.00000 602 20 THY O2P 3.52866 6.82233 5.94940 DNA2 8 0.00000 603 20 THY O5' 3.07696 4.44019 6.60658 DNA2 8 0.00000 604 20 THY C5' 2.17375 3.43434 7.13060 DNA2 8 0.00000 605 20 THY H5' 1.47175 3.11377 6.33138 DNA2 8 0.00000 606 20 THY H5'' 1.73196 3.79350 8.08462 DNA2 8 0.00000 607 20 THY C4' 2.95054 2.19100 7.49736 DNA2 8 0.00000 608 20 THY H4' 2.37120 1.54641 8.19248 DNA2 8 0.00000 609 20 THY O4' 3.18966 1.41260 6.28177 DNA2 8 0.00000 610 20 THY C1' 4.54631 1.52773 5.89855 DNA2 8 0.00000 611 20 THY H1' 4.98299 0.51415 6.02619 DNA2 8 0.00000 612 20 THY N1 4.58058 1.95128 4.47217 DNA2 8 0.00000 613 20 THY C6 4.43135 3.27199 4.12980 DNA2 8 0.00000 614 20 THY H6 4.28435 3.98166 4.94396 DNA2 8 0.00000 615 20 THY C2 4.76740 0.96506 3.52614 DNA2 8 0.00000 616 20 THY O2 4.90124 -0.21110 3.81691 DNA2 8 0.00000 617 20 THY N3 4.79117 1.40181 2.21717 DNA2 8 0.00000 618 20 THY H3 4.93432 0.63926 1.45158 DNA2 8 0.00000 619 20 THY C4 4.65280 2.69948 1.78114 DNA2 8 0.00000 620 20 THY O4 4.69272 2.97128 0.57570 DNA2 8 0.00000 621 20 THY C5 4.46687 3.66203 2.83975 DNA2 8 0.00000 622 20 THY C5M 4.30368 5.08901 2.41174 DNA2 8 0.00000 623 20 THY H51 4.15528 5.73948 3.30010 DNA2 8 0.00000 624 20 THY H52 3.37594 5.11255 1.80095 DNA2 8 0.00000 625 20 THY H53 5.12416 5.54979 1.82114 DNA2 8 0.00000 626 20 THY C2' 5.22020 2.51119 6.84651 DNA2 8 0.00000 627 20 THY H2'' 5.14560 3.52936 6.40822 DNA2 8 0.00000 628 20 THY H2' 6.24252 2.13874 7.07114 DNA2 8 0.00000 629 20 THY C3' 4.34337 2.40970 8.08449 DNA2 8 0.00000 630 20 THY H3' 4.38453 3.38382 8.61715 DNA2 8 0.00000 631 20 THY O3' 4.77475 1.30527 8.87540 DNA2 8 0.00000 632 21 CYT P 6.33554 1.04409 9.07127 DNA2 9 0.00000 633 21 CYT O1P 6.57813 0.44135 10.39591 DNA2 9 0.00000 634 21 CYT O2P 7.07956 2.29397 8.78188 DNA2 9 0.00000 635 21 CYT O5' 6.62542 -0.02264 7.92309 DNA2 9 0.00000 636 21 CYT C5' 5.72678 -1.15121 7.77570 DNA2 9 0.00000 637 21 CYT H5' 5.00574 -0.94651 6.95563 DNA2 9 0.00000 638 21 CYT H5'' 5.30788 -1.42378 8.76795 DNA2 9 0.00000 639 21 CYT C4' 6.50260 -2.36857 7.32577 DNA2 9 0.00000 640 21 CYT H4' 5.93476 -3.30317 7.52173 DNA2 9 0.00000 641 21 CYT O4' 6.70952 -2.28197 5.88000 DNA2 9 0.00000 642 21 CYT C1' 8.05823 -1.95328 5.60755 DNA2 9 0.00000 643 21 CYT H1' 8.49065 -2.84493 5.10526 DNA2 9 0.00000 644 21 CYT N1 8.06435 -0.77347 4.70133 DNA2 9 0.00000 645 21 CYT C6 7.91737 0.48681 5.18397 DNA2 9 0.00000 646 21 CYT H6 7.79189 0.58505 6.26226 DNA2 9 0.00000 647 21 CYT C2 8.22293 -1.00109 3.33652 DNA2 9 0.00000 648 21 CYT O2 8.35629 -2.16436 2.93581 DNA2 9 0.00000 649 21 CYT N3 8.22595 0.26186 2.50805 DNA2 9 0.00000 650 21 CYT C4 8.08698 1.30700 2.96036 DNA2 9 0.00000 651 21 CYT N4 8.09973 2.30852 2.09386 DNA2 9 0.00000 652 21 CYT H41 8.22711 2.10381 1.11307 DNA2 9 0.00000 653 21 CYT H42 7.98421 3.26206 2.40615 DNA2 9 0.00000 654 21 CYT C5 7.92717 1.56770 4.35787 DNA2 9 0.00000 655 21 CYT H5 7.82270 2.60092 4.68902 DNA2 9 0.00000 656 21 CYT C2' 8.75967 -1.71000 6.93700 DNA2 9 0.00000 657 21 CYT H2'' 8.68294 -0.62917 7.18243 DNA2 9 0.00000 658 21 CYT H2' 9.78391 -2.13624 6.87734 DNA2 9 0.00000 659 21 CYT C3' 7.90942 -2.52568 7.89802 DNA2 9 0.00000 660 21 CYT H3' 7.96931 -2.04980 8.90015 DNA2 9 0.00000 661 21 CYT O3' 8.35012 -3.88045 7.88023 DNA2 9 0.00000 662 22 GUA P 9.91293 -4.19582 7.85130 DNA2 10 0.00000 663 22 GUA O1P 10.18017 -5.46068 8.56354 DNA2 10 0.00000 664 22 GUA O2P 10.65930 -3.00897 8.33436 DNA2 10 0.00000 665 22 GUA O5' 10.17010 -4.38374 6.28892 DNA2 10 0.00000 666 22 GUA C5' 9.26046 -5.21683 5.52696 DNA2 10 0.00000 667 22 GUA H5' 8.52280 -4.57469 4.99986 DNA2 10 0.00000 668 22 GUA H5'' 8.86185 -6.02329 6.17891 DNA2 10 0.00000 669 22 GUA C4' 10.01755 -5.93108 4.43171 DNA2 10 0.00000 670 22 GUA H4' 9.44694 -6.80649 4.05438 DNA2 10 0.00000 671 22 GUA O4' 10.19345 -5.01087 3.30771 DNA2 10 0.00000 672 22 GUA C1' 11.53819 -4.57577 3.25106 DNA2 10 0.00000 673 22 GUA H1' 11.95311 -4.99942 2.31154 DNA2 10 0.00000 674 22 GUA N9 11.53287 -3.08857 3.21107 DNA2 10 0.00000 675 22 GUA C4 11.64434 -2.31968 2.07413 DNA2 10 0.00000 676 22 GUA N3 11.78216 -2.79596 0.80869 DNA2 10 0.00000 677 22 GUA C2 11.87596 -1.82116 -0.09176 DNA2 10 0.00000 678 22 GUA N1 11.82603 -0.47988 0.22829 DNA2 10 0.00000 679 22 GUA H1 11.89630 0.19523 -0.54643 DNA2 10 0.00000 680 22 GUA N2 12.01690 -2.11246 -1.38861 DNA2 10 0.00000 681 22 GUA H21 12.09717 -1.45770 -2.15342 DNA2 10 0.00000 682 22 GUA H22 12.04628 -3.09283 -1.62968 DNA2 10 0.00000 683 22 GUA C6 11.68679 0.03492 1.52914 DNA2 10 0.00000 684 22 GUA O6 11.66143 1.25375 1.69905 DNA2 10 0.00000 685 22 GUA C5 11.59523 -1.00016 2.48712 DNA2 10 0.00000 686 22 GUA N7 11.45269 -0.93453 3.87480 DNA2 10 0.00000 687 22 GUA C8 11.41927 -2.18750 4.24905 DNA2 10 0.00000 688 22 GUA H8 11.31379 -2.56047 5.26781 DNA2 10 0.00000 689 22 GUA C2' 12.27025 -5.15512 4.45460 DNA2 10 0.00000 690 22 GUA H2'' 12.20679 -4.42495 5.28955 DNA2 10 0.00000 691 22 GUA H2' 13.28981 -5.45798 4.13353 DNA2 10 0.00000 692 22 GUA C3' 11.43543 -6.38535 4.77185 DNA2 10 0.00000 693 22 GUA H3' 11.52041 -6.58833 5.86083 DNA2 10 0.00000 694 22 GUA O3' 11.86601 -7.46808 3.95063 DNA2 10 0.00000 695 23 CYT P 13.42553 -7.69495 3.70793 DNA2 11 0.00000 696 23 CYT O1P 13.69930 -9.13554 3.53594 DNA2 11 0.00000 697 23 CYT O2P 14.19071 -7.01365 4.78014 DNA2 11 0.00000 698 23 CYT O5' 13.64713 -6.92744 2.32844 DNA2 11 0.00000 699 23 CYT C5' 12.71519 -7.16138 1.24314 DNA2 11 0.00000 700 23 CYT H5' 11.96986 -6.33814 1.21038 DNA2 11 0.00000 701 23 CYT H5'' 12.32634 -8.20023 1.30565 DNA2 11 0.00000 702 23 CYT C4' 13.44303 -7.08976 -0.08048 DNA2 11 0.00000 703 23 CYT H4' 12.85887 -7.58047 -0.88813 DNA2 11 0.00000 704 23 CYT O4' 13.60085 -5.68421 -0.45238 DNA2 11 0.00000 705 23 CYT C1' 14.94708 -5.28888 -0.27220 DNA2 11 0.00000 706 23 CYT H1' 15.33822 -5.07683 -1.29022 DNA2 11 0.00000 707 23 CYT N1 14.95142 -4.06134 0.56947 DNA2 11 0.00000 708 23 CYT C6 14.85404 -4.13368 1.92127 DNA2 11 0.00000 709 23 CYT H6 14.76943 -5.13116 2.35253 DNA2 11 0.00000 710 23 CYT C2 15.05571 -2.83066 -0.07503 DNA2 11 0.00000 711 23 CYT O2 15.14491 -2.80727 -1.30888 DNA2 11 0.00000 712 23 CYT N3 15.06182 -1.65053 0.86937 DNA2 11 0.00000 713 23 CYT C4 14.96586 -1.76089 2.00812 DNA2 11 0.00000 714 23 CYT N4 14.97369 -0.62710 2.69139 DNA2 11 0.00000 715 23 CYT H41 15.06088 0.24485 2.18920 DNA2 11 0.00000 716 23 CYT H42 14.89393 -0.63126 3.69823 DNA2 11 0.00000 717 23 CYT C5 14.86234 -3.01234 2.69314 DNA2 11 0.00000 718 23 CYT H5 14.79615 -3.00963 3.78112 DNA2 11 0.00000 719 23 CYT C2' 15.70113 -6.45900 0.34487 DNA2 11 0.00000 720 23 CYT H2'' 15.66164 -6.35861 1.45062 DNA2 11 0.00000 721 23 CYT H2' 16.71104 -6.50827 -0.11554 DNA2 11 0.00000 722 23 CYT C3' 14.86474 -7.64706 -0.10202 DNA2 11 0.00000 723 23 CYT H3' 14.97178 -8.44967 0.65869 DNA2 11 0.00000 724 23 CYT O3' 15.26957 -8.03801 -1.41161 DNA2 11 0.00000 725 24 GUA P 16.82176 -8.06804 -1.77572 DNA2 12 0.00000 726 24 GUA O1P 17.08145 -9.13029 -2.76656 DNA2 12 0.00000 727 24 GUA O2P 17.61500 -8.14039 -0.52463 DNA2 12 0.00000 728 24 GUA O5' 17.01862 -6.63594 -2.44582 DNA2 12 0.00000 729 24 GUA C5' 16.06149 -6.19310 -3.44080 DNA2 12 0.00000 730 24 GUA H5' 15.32231 -5.51224 -2.96713 DNA2 12 0.00000 731 24 GUA H5'' 15.66569 -7.07278 -3.99201 DNA2 12 0.00000 732 24 GUA C4' 16.76073 -5.35328 -4.48528 DNA2 12 0.00000 733 24 GUA H4' 16.15543 -5.28022 -5.41404 DNA2 12 0.00000 734 24 GUA O4' 16.92035 -3.99593 -3.96393 DNA2 12 0.00000 735 24 GUA C1' 18.27296 -3.77215 -3.61553 DNA2 12 0.00000 736 24 GUA H1' 18.64311 -2.99985 -4.32325 DNA2 12 0.00000 737 24 GUA N9 18.30442 -3.27309 -2.21452 DNA2 12 0.00000 738 24 GUA C4 18.39535 -1.95213 -1.83888 DNA2 12 0.00000 739 24 GUA N3 18.47601 -0.89297 -2.68761 DNA2 12 0.00000 740 24 GUA C2 18.56289 0.26780 -2.04251 DNA2 12 0.00000 741 24 GUA N1 18.55881 0.37742 -0.66742 DNA2 12 0.00000 742 24 GUA H1 18.61898 1.32460 -0.26724 DNA2 12 0.00000 743 24 GUA N2 18.65035 1.41300 -2.72513 DNA2 12 0.00000 744 24 GUA H21 18.72029 2.34501 -2.34228 DNA2 12 0.00000 745 24 GUA H22 18.64607 1.33872 -3.73238 DNA2 12 0.00000 746 24 GUA C6 18.47893 -0.70280 0.22904 DNA2 12 0.00000 747 24 GUA O6 18.49093 -0.48737 1.44071 DNA2 12 0.00000 748 24 GUA C5 18.39476 -1.93632 -0.45536 DNA2 12 0.00000 749 24 GUA N7 18.30312 -3.23805 0.04080 DNA2 12 0.00000 750 24 GUA C8 18.25083 -3.98411 -1.03342 DNA2 12 0.00000 751 24 GUA H8 18.17208 -5.07069 -1.06868 DNA2 12 0.00000 752 24 GUA C2' 19.03199 -5.07587 -3.81993 DNA2 12 0.00000 753 24 GUA H2'' 19.01735 -5.64447 -2.86557 DNA2 12 0.00000 754 24 GUA H2' 20.03123 -4.83817 -4.24341 DNA2 12 0.00000 755 24 GUA C3' 18.17761 -5.78064 -4.86103 DNA2 12 0.00000 756 24 GUA H3' 18.29609 -6.87622 -4.71970 DNA2 12 0.00000 757 24 GUA O3' 18.55095 -5.32572 -6.16008 DNA2 12 0.00000 758 24 GUA H3T 19.48553 -5.13572 -6.26985 DNA2 12 0.00000 759 25 TIP3 OH2 2.60629 -5.91867 -4.57522 SOLV 1 -4.57522 760 25 TIP3 H1 2.13300 -6.07011 -3.71645 SOLV 1 -3.71645 761 25 TIP3 H2 3.42135 -6.40882 -4.33913 SOLV 1 -4.33913 762 26 TIP3 OH2 1.19465 3.50756 -7.90671 SOLV 2 -7.90671 763 26 TIP3 H1 1.69822 4.02423 -7.23080 SOLV 2 -7.23080 764 26 TIP3 H2 1.67065 3.74117 -8.71326 SOLV 2 -8.71326 765 27 TIP3 OH2 -2.96046 -8.49348 3.41353 SOLV 3 3.41353 766 27 TIP3 H1 -2.62347 -9.09612 2.74384 SOLV 3 2.74384 767 27 TIP3 H2 -2.15449 -8.25919 3.89745 SOLV 3 3.89745 768 28 TIP3 OH2 4.52204 -2.55199 9.34789 SOLV 4 9.34789 769 28 TIP3 H1 5.48329 -2.41810 9.58105 SOLV 4 9.58105 770 28 TIP3 H2 4.49360 -1.80659 8.71726 SOLV 4 8.71726 771 29 TIP3 OH2 6.97382 8.50603 9.03408 SOLV 5 9.03408 772 29 TIP3 H1 7.49549 8.74080 8.27089 SOLV 5 8.27089 773 29 TIP3 H2 7.65487 7.86596 9.42276 SOLV 5 9.42276 774 30 TIP3 OH2 8.85552 -6.64807 3.35569 SOLV 7 3.35569 775 30 TIP3 H1 9.49223 -7.36922 3.26230 SOLV 7 3.26230 776 30 TIP3 H2 9.38006 -5.93323 2.87538 SOLV 7 2.87538 777 31 TIP3 OH2 -0.08685 -4.30121 -3.88393 SOLV 8 -3.88393 778 31 TIP3 H1 -1.00773 -4.50185 -4.15570 SOLV 8 -4.15570 779 31 TIP3 H2 -0.27004 -3.68706 -3.14000 SOLV 8 -3.14000 780 32 TIP3 OH2 -8.71209 -7.79280 -8.92521 SOLV 9 -8.92521 781 32 TIP3 H1 -8.67978 -6.81318 -9.19177 SOLV 9 -9.19177 782 32 TIP3 H2 -9.01650 -8.18651 -9.73966 SOLV 9 -9.73966 783 33 TIP3 OH2 6.90654 -8.50443 3.90488 SOLV 10 3.90488 784 33 TIP3 H1 7.29967 -7.60364 4.05349 SOLV 10 4.05349 785 33 TIP3 H2 7.74581 -9.13563 4.00740 SOLV 10 4.00740 786 34 TIP3 OH2 3.28156 -3.58976 -7.11992 SOLV 11 -7.11992 787 34 TIP3 H1 3.33105 -2.96974 -7.86724 SOLV 11 -7.86724 788 34 TIP3 H2 3.67924 -4.43964 -7.47625 SOLV 11 -7.47625 789 35 TIP3 OH2 -0.53654 -5.51799 8.57174 SOLV 12 8.57174 790 35 TIP3 H1 0.05250 -5.88911 9.22300 SOLV 12 9.22300 791 35 TIP3 H2 -0.05229 -4.71284 8.30477 SOLV 12 8.30477 792 36 TIP3 OH2 -4.65756 9.12089 -0.62609 SOLV 13 -0.62609 793 36 TIP3 H1 -4.80236 8.63262 0.20350 SOLV 13 0.20350 794 36 TIP3 H2 -5.48541 8.90455 -1.07407 SOLV 13 -1.07407 795 37 TIP3 OH2 -6.24792 -4.68709 -7.21332 SOLV 15 -7.21332 796 37 TIP3 H1 -6.76800 -5.50700 -6.91651 SOLV 15 -6.91651 797 37 TIP3 H2 -6.89818 -4.24063 -7.82872 SOLV 15 -7.82872 798 38 TIP3 OH2 -5.33895 0.13724 1.68744 SOLV 16 1.68744 799 38 TIP3 H1 -5.33287 0.90316 1.08381 SOLV 16 1.08381 800 38 TIP3 H2 -4.45702 -0.17494 1.67706 SOLV 16 1.67706 801 39 TIP3 OH2 -2.33492 1.63780 -9.71410 SOLV 17 -9.71410 802 39 TIP3 H1 -2.05063 2.12276 -8.92722 SOLV 17 -8.92722 803 39 TIP3 H2 -2.75792 0.73382 -9.40723 SOLV 17 -9.40723 804 40 TIP3 OH2 7.76373 -8.25423 0.95036 SOLV 18 0.95036 805 40 TIP3 H1 7.08594 -7.52762 0.87570 SOLV 18 0.87570 806 40 TIP3 H2 7.44189 -8.84790 1.62934 SOLV 18 1.62934 807 41 TIP3 OH2 -8.88236 -2.22113 7.97777 SOLV 20 7.97777 808 41 TIP3 H1 -8.32998 -3.01810 8.09289 SOLV 20 8.09289 809 41 TIP3 H2 -8.36075 -1.64434 7.45562 SOLV 20 7.45562 810 42 TIP3 OH2 -0.28351 7.58671 -2.66253 SOLV 21 -2.66253 811 42 TIP3 H1 -1.15348 7.26448 -2.35555 SOLV 21 -2.35555 812 42 TIP3 H2 0.34813 7.29752 -1.93149 SOLV 21 -1.93149 813 43 TIP3 OH2 -1.39188 2.81827 -7.45380 SOLV 22 -7.45380 814 43 TIP3 H1 -1.25230 3.22037 -6.55556 SOLV 22 -6.55556 815 43 TIP3 H2 -0.40509 3.04000 -7.59167 SOLV 22 -7.59167 816 44 TIP3 OH2 -7.73042 -2.39179 -8.21229 SOLV 23 -8.21229 817 44 TIP3 H1 -8.59948 -2.01572 -8.37507 SOLV 23 -8.37507 818 44 TIP3 H2 -7.09521 -1.64399 -7.99940 SOLV 23 -7.99940 819 45 TIP3 OH2 0.12283 0.32007 7.56097 SOLV 25 7.56097 820 45 TIP3 H1 -0.15161 1.13355 7.92156 SOLV 25 7.92156 821 45 TIP3 H2 -0.21030 -0.33255 8.22401 SOLV 25 8.22401 822 46 TIP3 OH2 -9.28354 -3.87258 1.91213 SOLV 28 1.91213 823 46 TIP3 H1 -9.19595 -3.43733 2.76007 SOLV 28 2.76007 824 46 TIP3 H2 -8.41416 -4.36472 1.88151 SOLV 28 1.88151 825 47 TIP3 OH2 9.26574 7.87379 -4.26716 SOLV 30 -4.26716 826 47 TIP3 H1 9.56323 7.52745 -5.13790 SOLV 30 -5.13790 827 47 TIP3 H2 8.53444 8.42567 -4.53899 SOLV 30 -4.53899 828 48 TIP3 OH2 4.42331 -2.96096 3.13287 SOLV 31 3.13287 829 48 TIP3 H1 5.34101 -2.83369 3.56942 SOLV 31 3.56942 830 48 TIP3 H2 4.53019 -3.14165 2.14840 SOLV 31 2.14840 831 49 TIP3 OH2 -5.93160 5.06386 6.39041 SOLV 33 6.39041 832 49 TIP3 H1 -5.56818 4.39425 5.84034 SOLV 33 5.84034 833 49 TIP3 H2 -6.47008 4.59542 7.04034 SOLV 33 7.04034 834 50 TIP3 OH2 -7.28661 -7.21211 -2.67828 SOLV 35 -2.67828 835 50 TIP3 H1 -7.63255 -7.50128 -1.75205 SOLV 35 -1.75205 836 50 TIP3 H2 -8.12453 -6.97378 -3.11385 SOLV 35 -3.11385 837 51 TIP3 OH2 4.82541 -0.59008 -5.61531 SOLV 36 -5.61531 838 51 TIP3 H1 4.64295 -1.54521 -5.90320 SOLV 36 -5.90320 839 51 TIP3 H2 4.76683 -0.04501 -6.43737 SOLV 36 -6.43737 840 52 TIP3 OH2 -2.54104 -0.51664 -6.63381 SOLV 37 -6.63381 841 52 TIP3 H1 -2.43350 -0.64163 -5.66312 SOLV 37 -5.66312 842 52 TIP3 H2 -3.29537 0.03671 -6.75952 SOLV 37 -6.75952 843 53 TIP3 OH2 9.55870 5.59754 7.98367 SOLV 39 7.98367 844 53 TIP3 H1 9.49216 6.11315 8.82304 SOLV 39 8.82304 845 53 TIP3 H2 9.01974 4.86092 8.18323 SOLV 39 8.18323 846 54 TIP3 OH2 -7.47990 7.25424 -6.84457 SOLV 40 -6.84457 847 54 TIP3 H1 -7.14834 7.93702 -7.38398 SOLV 40 -7.38398 848 54 TIP3 H2 -6.66128 6.72451 -6.78329 SOLV 40 -6.78329 849 55 TIP3 OH2 -7.44690 -5.65270 1.69507 SOLV 41 1.69507 850 55 TIP3 H1 -7.43414 -5.57285 0.72784 SOLV 41 0.72784 851 55 TIP3 H2 -6.58171 -6.03041 1.91754 SOLV 41 1.91754 852 56 TIP3 OH2 6.85734 -5.24611 1.85451 SOLV 42 1.85451 853 56 TIP3 H1 7.49332 -4.55521 1.85663 SOLV 42 1.85663 854 56 TIP3 H2 6.95026 -5.69356 2.67008 SOLV 42 2.67008 855 57 TIP3 OH2 7.67829 3.88463 -9.16371 SOLV 43 -9.16371 856 57 TIP3 H1 6.98901 3.92428 -9.82940 SOLV 43 -9.82940 857 57 TIP3 H2 7.33576 4.47686 -8.47162 SOLV 43 -8.47162 858 58 TIP3 OH2 -0.45739 3.23299 -0.75896 SOLV 44 -0.75896 859 58 TIP3 H1 -1.34827 3.23893 -1.14256 SOLV 44 -1.14256 860 58 TIP3 H2 -0.68889 3.65579 0.09739 SOLV 44 0.09739 861 59 TIP3 OH2 -4.54344 7.27725 -7.22681 SOLV 45 -7.22681 862 59 TIP3 H1 -5.04406 8.10617 -7.15066 SOLV 45 -7.15066 863 59 TIP3 H2 -3.83284 7.48130 -7.82766 SOLV 45 -7.82766 864 60 TIP3 OH2 -8.23592 -5.21886 8.27698 SOLV 47 8.27698 865 60 TIP3 H1 -7.30740 -5.03319 8.13469 SOLV 47 8.13469 866 60 TIP3 H2 -8.60853 -5.31678 7.38819 SOLV 47 7.38819 867 61 TIP3 OH2 6.21233 1.38310 -6.97557 SOLV 48 -6.97557 868 61 TIP3 H1 5.80884 1.51720 -7.83795 SOLV 48 -7.83795 869 61 TIP3 H2 7.09600 1.80788 -7.11832 SOLV 48 -7.11832 870 62 TIP3 OH2 -4.78408 -6.26688 -3.36842 SOLV 49 -3.36842 871 62 TIP3 H1 -4.74115 -6.89687 -4.07814 SOLV 49 -4.07814 872 62 TIP3 H2 -5.75214 -6.46810 -3.27368 SOLV 49 -3.27368 873 63 TIP3 OH2 0.14663 -1.54519 -9.05665 SOLV 50 -9.05665 874 63 TIP3 H1 0.61678 -2.37499 -9.36568 SOLV 50 -9.36568 875 63 TIP3 H2 -0.70175 -1.90122 -9.04090 SOLV 50 -9.04090 876 64 TIP3 OH2 3.99076 -7.42771 7.31190 SOLV 51 7.31190 877 64 TIP3 H1 3.27060 -8.05690 7.64958 SOLV 51 7.64958 878 64 TIP3 H2 3.94669 -7.62497 6.38537 SOLV 51 6.38537 879 65 TIP3 OH2 8.91927 -0.46554 -8.42472 SOLV 52 -8.42472 880 65 TIP3 H1 8.64312 0.23254 -7.87420 SOLV 52 -7.87420 881 65 TIP3 H2 9.47801 -0.04733 -9.14438 SOLV 52 -9.14438 882 66 TIP3 OH2 -0.69948 7.02329 -5.33629 SOLV 55 -5.33629 883 66 TIP3 H1 -0.48888 6.10029 -5.51669 SOLV 55 -5.51669 884 66 TIP3 H2 -0.21234 7.23038 -4.54278 SOLV 55 -4.54278 885 67 TIP3 OH2 -0.14068 -4.37304 -6.79403 SOLV 56 -6.79403 886 67 TIP3 H1 -0.49724 -5.26518 -6.57339 SOLV 56 -6.57339 887 67 TIP3 H2 -0.76719 -4.14789 -7.49560 SOLV 56 -7.49560 888 68 TIP3 OH2 7.69096 -8.14999 -2.38996 SOLV 58 -2.38996 889 68 TIP3 H1 8.40452 -7.63414 -2.66199 SOLV 58 -2.66199 890 68 TIP3 H2 7.41752 -8.55328 -3.23953 SOLV 58 -3.23953 891 69 TIP3 OH2 7.16346 -9.18490 -5.17726 SOLV 59 -5.17726 892 69 TIP3 H1 7.14589 -8.43252 -5.85762 SOLV 59 -5.85762 893 69 TIP3 H2 6.27733 -9.00195 -4.87719 SOLV 59 -4.87719 894 70 TIP3 OH2 0.52265 -0.71540 -2.35296 SOLV 61 -2.35296 895 70 TIP3 H1 1.16419 -0.26591 -2.96884 SOLV 61 -2.96884 896 70 TIP3 H2 0.98203 -0.66985 -1.48200 SOLV 61 -1.48200 897 71 TIP3 OH2 -3.30309 -7.08919 -0.91240 SOLV 63 -0.91240 898 71 TIP3 H1 -3.87120 -7.88711 -0.86507 SOLV 63 -0.86507 899 71 TIP3 H2 -3.36795 -6.89297 -1.86117 SOLV 63 -1.86117 900 72 TIP3 OH2 -5.07531 -7.00480 1.99151 SOLV 64 1.99151 901 72 TIP3 H1 -4.28579 -7.51256 2.39199 SOLV 64 2.39199 902 72 TIP3 H2 -4.54856 -6.54407 1.36547 SOLV 64 1.36547 903 73 TIP3 OH2 4.63101 6.20976 7.91502 SOLV 65 7.91502 904 73 TIP3 H1 4.01762 6.83697 7.52957 SOLV 65 7.52957 905 73 TIP3 H2 4.61472 6.61528 8.81665 SOLV 65 8.81665 906 74 TIP3 OH2 -5.66691 -8.28679 7.87215 SOLV 66 7.87215 907 74 TIP3 H1 -5.70352 -7.67939 7.14547 SOLV 66 7.14547 908 74 TIP3 H2 -5.63052 -9.09672 7.38089 SOLV 66 7.38089 909 75 TIP3 OH2 1.31930 3.46080 -3.01256 SOLV 67 -3.01256 910 75 TIP3 H1 2.10504 3.17945 -2.55793 SOLV 67 -2.55793 911 75 TIP3 H2 0.56917 3.18625 -2.45368 SOLV 67 -2.45368 912 76 TIP3 OH2 6.56503 -4.79879 7.95186 SOLV 69 7.95186 913 76 TIP3 H1 7.13990 -5.28217 8.51006 SOLV 69 8.51006 914 76 TIP3 H2 6.69488 -3.87711 8.30046 SOLV 69 8.30046 915 77 TIP3 OH2 9.03917 7.02129 -8.37383 SOLV 71 -8.37383 916 77 TIP3 H1 8.43727 6.62935 -7.74716 SOLV 71 -7.74716 917 77 TIP3 H2 9.81986 7.20406 -7.81180 SOLV 71 -7.81180 918 78 TIP3 OH2 7.12234 8.08153 -0.87268 SOLV 72 -0.87268 919 78 TIP3 H1 7.33706 9.02419 -1.20096 SOLV 72 -1.20096 920 78 TIP3 H2 6.43163 8.42744 -0.17425 SOLV 72 -0.17425 921 79 TIP3 OH2 1.45710 -6.33433 -8.45226 SOLV 75 -8.45226 922 79 TIP3 H1 1.11304 -5.99146 -7.57083 SOLV 75 -7.57083 923 79 TIP3 H2 2.41953 -6.28868 -8.14402 SOLV 75 -8.14402 924 80 TIP3 OH2 4.98760 -9.39439 0.18750 SOLV 78 0.18750 925 80 TIP3 H1 4.80891 -8.39814 0.17378 SOLV 78 0.17378 926 80 TIP3 H2 4.48062 -9.54246 0.95805 SOLV 78 0.95805 927 81 TIP3 OH2 4.75976 3.42998 -5.44878 SOLV 79 -5.44878 928 81 TIP3 H1 3.91754 3.14391 -5.71163 SOLV 79 -5.71163 929 81 TIP3 H2 5.28830 2.91366 -6.03100 SOLV 79 -6.03100 930 82 TIP3 OH2 1.38019 -3.48124 8.35065 SOLV 80 8.35065 931 82 TIP3 H1 2.16322 -4.07192 8.44120 SOLV 80 8.44120 932 82 TIP3 H2 1.54222 -3.27995 7.41017 SOLV 80 7.41017 933 83 TIP3 OH2 -0.42878 8.28034 7.32292 SOLV 82 7.32292 934 83 TIP3 H1 -0.23370 8.58947 8.19473 SOLV 82 8.19473 935 83 TIP3 H2 0.04655 8.88095 6.74633 SOLV 82 6.74633 936 84 TIP3 OH2 -6.26155 3.53564 2.54506 SOLV 83 2.54506 937 84 TIP3 H1 -6.47940 4.04194 1.75897 SOLV 83 1.75897 938 84 TIP3 H2 -5.90588 2.75399 2.18926 SOLV 83 2.18926 939 85 TIP3 OH2 -0.30908 -8.48098 -3.15131 SOLV 86 -3.15131 940 85 TIP3 H1 -0.53515 -9.43046 -2.90255 SOLV 86 -2.90255 941 85 TIP3 H2 0.62562 -8.46468 -2.85402 SOLV 86 -2.85402 942 86 TIP3 OH2 -8.26068 3.31977 -4.23051 SOLV 87 -4.23051 943 86 TIP3 H1 -7.55344 2.66012 -3.85005 SOLV 87 -3.85005 944 86 TIP3 H2 -8.98994 2.68658 -4.26617 SOLV 87 -4.26617 945 87 TIP3 OH2 -4.53613 1.13273 -6.24968 SOLV 91 -6.24968 946 87 TIP3 H1 -4.43034 1.29701 -5.32859 SOLV 91 -5.32859 947 87 TIP3 H2 -4.50223 2.01465 -6.67686 SOLV 91 -6.67686 948 88 TIP3 OH2 7.64722 -6.61838 -6.55872 SOLV 92 -6.55872 949 88 TIP3 H1 7.95316 -7.09588 -7.40708 SOLV 92 -7.40708 950 88 TIP3 H2 7.50164 -5.80549 -7.02448 SOLV 92 -7.02448 951 89 TIP3 OH2 -0.22410 3.98316 -5.30958 SOLV 93 -5.30958 952 89 TIP3 H1 0.68210 4.05769 -5.74705 SOLV 93 -5.74705 953 89 TIP3 H2 0.08861 3.88259 -4.38180 SOLV 93 -4.38180 954 90 TIP3 OH2 -7.29474 5.74742 0.83402 SOLV 94 0.83402 955 90 TIP3 H1 -7.57488 5.12279 0.06904 SOLV 94 0.06904 956 90 TIP3 H2 -7.99624 6.38769 0.72093 SOLV 94 0.72093 957 91 TIP3 OH2 -2.40236 -0.28694 3.87727 SOLV 95 3.87727 958 91 TIP3 H1 -1.86980 -0.98513 3.31563 SOLV 95 3.31563 959 91 TIP3 H2 -3.19671 -0.75427 4.03349 SOLV 95 4.03349 960 92 TIP3 OH2 6.46823 1.61227 3.37587 SOLV 97 3.37587 961 92 TIP3 H1 6.35265 2.55300 3.28987 SOLV 97 3.28987 962 92 TIP3 H2 7.47167 1.55834 3.42009 SOLV 97 3.42009 963 93 TIP3 OH2 -5.56453 -4.22868 7.82673 SOLV 99 7.82673 964 93 TIP3 H1 -4.62338 -4.56042 7.77328 SOLV 99 7.77328 965 93 TIP3 H2 -5.51391 -3.72490 6.99464 SOLV 99 6.99464 966 94 TIP3 OH2 0.81914 -8.76855 -9.42202 SOLV 100 -9.42202 967 94 TIP3 H1 0.48099 -9.26238 -8.62933 SOLV 100 -8.62933 968 94 TIP3 H2 0.77191 -7.89854 -9.06161 SOLV 100 -9.06161 969 95 TIP3 OH2 -6.47625 -0.07953 -7.79213 SOLV 101 -7.79213 970 95 TIP3 H1 -6.91579 0.73864 -7.95419 SOLV 101 -7.95419 971 95 TIP3 H2 -5.68323 0.10046 -7.25150 SOLV 101 -7.25150 972 96 TIP3 OH2 5.57822 -7.67832 9.54858 SOLV 103 9.54858 973 96 TIP3 H1 5.22120 -7.64712 8.63523 SOLV 103 8.63523 974 96 TIP3 H2 6.06462 -8.51864 9.55010 SOLV 103 9.55010 975 97 TIP3 OH2 2.82513 -3.35846 5.51938 SOLV 104 5.51938 976 97 TIP3 H1 3.40074 -3.73273 6.22292 SOLV 104 6.22292 977 97 TIP3 H2 3.46782 -3.14510 4.80840 SOLV 104 4.80840 978 98 TIP3 OH2 0.64226 8.98118 -6.74649 SOLV 105 -6.74649 979 98 TIP3 H1 0.14150 8.27307 -6.32128 SOLV 105 -6.32128 980 98 TIP3 H2 1.51419 8.49564 -6.84168 SOLV 105 -6.84168 981 99 TIP3 OH2 5.68694 1.64154 -3.50533 SOLV 106 -3.50533 982 99 TIP3 H1 5.71605 1.76621 -2.52225 SOLV 106 -2.52225 983 99 TIP3 H2 5.41793 2.55808 -3.83164 SOLV 106 -3.83164 984 100 TIP3 OH2 -7.23353 -3.28732 -5.07511 SOLV 107 -5.07511 985 100 TIP3 H1 -6.60832 -3.64884 -5.69241 SOLV 107 -5.69241 986 100 TIP3 H2 -7.87195 -3.86278 -5.18589 SOLV 107 -5.18589 987 101 TIP3 OH2 2.40307 0.27335 -4.26603 SOLV 109 -4.26603 988 101 TIP3 H1 3.06505 0.14247 -4.89952 SOLV 109 -4.89952 989 101 TIP3 H2 2.60179 1.18328 -3.98700 SOLV 109 -3.98700 990 102 TIP3 OH2 -5.33045 -2.14756 -3.55422 SOLV 111 -3.55422 991 102 TIP3 H1 -5.75816 -1.64017 -2.91816 SOLV 111 -2.91816 992 102 TIP3 H2 -5.93710 -2.91563 -3.84638 SOLV 111 -3.84638 993 103 TIP3 OH2 -2.24436 -2.63915 -8.41119 SOLV 114 -8.41119 994 103 TIP3 H1 -2.38640 -1.76357 -7.99651 SOLV 114 -7.99651 995 103 TIP3 H2 -2.66002 -3.24656 -7.76713 SOLV 114 -7.76713 996 104 TIP3 OH2 -3.92412 6.52625 3.66401 SOLV 115 3.66401 997 104 TIP3 H1 -3.56006 7.11650 4.36348 SOLV 115 4.36348 998 104 TIP3 H2 -3.39559 6.73019 2.82279 SOLV 115 2.82279 999 105 TIP3 OH2 6.20590 -6.40567 -0.57975 SOLV 116 -0.57975 1000 105 TIP3 H1 6.80722 -6.83705 -1.20238 SOLV 116 -1.20238 1001 105 TIP3 H2 6.68240 -5.64371 -0.35564 SOLV 116 -0.35564 1002 106 TIP3 OH2 3.69952 -4.78268 7.73643 SOLV 118 7.73643 1003 106 TIP3 H1 3.76787 -5.75574 7.66704 SOLV 118 7.66704 1004 106 TIP3 H2 4.68638 -4.63404 7.81122 SOLV 118 7.81122 1005 107 TIP3 OH2 -0.75145 4.75910 1.88050 SOLV 119 1.88050 1006 107 TIP3 H1 -0.64601 4.29430 2.74910 SOLV 119 2.74910 1007 107 TIP3 H2 0.16886 4.83465 1.66375 SOLV 119 1.66375 1008 108 TIP3 OH2 4.97351 4.36831 -2.18215 SOLV 120 -2.18215 1009 108 TIP3 H1 4.70627 3.43531 -1.87066 SOLV 120 -1.87066 1010 108 TIP3 H2 5.82326 4.34418 -1.80082 SOLV 120 -1.80082 1011 109 TIP3 OH2 -3.62618 -4.95848 -6.86148 SOLV 121 -6.86148 1012 109 TIP3 H1 -4.58603 -4.77426 -7.06761 SOLV 121 -7.06761 1013 109 TIP3 H2 -3.49174 -5.81350 -7.36225 SOLV 121 -7.36225 1014 110 TIP3 OH2 2.87413 7.74488 -6.27687 SOLV 122 -6.27687 1015 110 TIP3 H1 3.33419 7.27910 -5.54147 SOLV 122 -5.54147 1016 110 TIP3 H2 3.58247 7.74690 -6.91972 SOLV 122 -6.91972 1017 111 TIP3 OH2 4.20242 6.48766 -4.23920 SOLV 123 -4.23920 1018 111 TIP3 H1 4.24242 5.74474 -3.68804 SOLV 123 -3.68804 1019 111 TIP3 H2 4.55921 7.12616 -3.60600 SOLV 123 -3.60600 1020 112 TIP3 OH2 5.01163 7.22642 -7.90960 SOLV 124 -7.90960 1021 112 TIP3 H1 5.63924 7.80473 -8.41417 SOLV 124 -8.41417 1022 112 TIP3 H2 5.67790 6.62967 -7.44200 SOLV 124 -7.44200 1023 113 TIP3 OH2 9.55532 7.76625 0.39072 SOLV 126 0.39072 1024 113 TIP3 H1 8.60421 7.79258 0.18225 SOLV 126 0.18225 1025 113 TIP3 H2 9.83375 8.74788 0.39527 SOLV 126 0.39527 1026 114 TIP3 OH2 -2.93321 8.01018 5.64842 SOLV 127 5.64842 1027 114 TIP3 H1 -2.10829 7.77139 6.19391 SOLV 127 6.19391 1028 114 TIP3 H2 -3.13943 8.96213 5.78693 SOLV 127 5.78693 1029 115 TIP3 OH2 4.30517 7.14124 -1.42184 SOLV 128 -1.42184 1030 115 TIP3 H1 5.02234 6.50190 -1.48308 SOLV 128 -1.48308 1031 115 TIP3 H2 4.73226 7.84840 -0.95192 SOLV 128 -0.95192 1032 116 TIP3 OH2 -2.16348 4.68028 6.56918 SOLV 129 6.56918 1033 116 TIP3 H1 -2.71247 5.11975 5.85111 SOLV 129 5.85111 1034 116 TIP3 H2 -2.83336 4.62782 7.26854 SOLV 129 7.26854 1035 117 TIP3 OH2 -3.43335 -0.84835 -1.28253 SOLV 131 -1.28253 1036 117 TIP3 H1 -3.73175 -0.07463 -1.73507 SOLV 131 -1.73507 1037 117 TIP3 H2 -3.20690 -0.52579 -0.39205 SOLV 131 -0.39205 1038 118 TIP3 OH2 -6.02137 7.74450 2.33715 SOLV 132 2.33715 1039 118 TIP3 H1 -6.49767 6.88438 2.08910 SOLV 132 2.08910 1040 118 TIP3 H2 -5.51981 7.35846 3.13938 SOLV 132 3.13938 1041 119 TIP3 OH2 6.35286 5.26283 -6.87501 SOLV 134 -6.87501 1042 119 TIP3 H1 5.52646 5.07850 -6.39657 SOLV 134 -6.39657 1043 119 TIP3 H2 7.05885 5.07732 -6.20932 SOLV 134 -6.20932 1044 120 TIP3 OH2 6.73510 -0.14476 1.31736 SOLV 135 1.31736 1045 120 TIP3 H1 7.12837 -0.92580 1.79097 SOLV 135 1.79097 1046 120 TIP3 H2 6.57448 0.46691 2.09557 SOLV 135 2.09557 1047 121 TIP3 OH2 2.45333 4.89117 -5.92977 SOLV 136 -5.92977 1048 121 TIP3 H1 2.97518 5.03404 -5.08523 SOLV 136 -5.08523 1049 121 TIP3 H2 2.30516 5.81405 -6.21844 SOLV 136 -6.21844 1050 122 TIP3 OH2 -3.03595 -4.23891 -4.17028 SOLV 137 -4.17028 1051 122 TIP3 H1 -3.79243 -4.76905 -3.93495 SOLV 137 -3.93495 1052 122 TIP3 H2 -3.05724 -4.31856 -5.19134 SOLV 137 -5.19134 1053 123 TIP3 OH2 -4.07789 3.95594 4.38171 SOLV 138 4.38171 1054 123 TIP3 H1 -3.93205 4.88282 4.11386 SOLV 138 4.11386 1055 123 TIP3 H2 -4.34847 3.60167 3.54265 SOLV 138 3.54265 1056 124 TIP3 OH2 -5.24701 7.70474 6.92255 SOLV 139 6.92255 1057 124 TIP3 H1 -5.49531 6.75226 7.04381 SOLV 139 7.04381 1058 124 TIP3 H2 -4.49098 7.63093 6.27021 SOLV 139 6.27021 1059 125 TIP3 OH2 -6.53508 -9.22338 -8.16876 SOLV 140 -8.16876 1060 125 TIP3 H1 -7.23909 -8.57598 -8.47016 SOLV 140 -8.47016 1061 125 TIP3 H2 -6.17562 -9.34760 -9.06458 SOLV 140 -9.06458 1062 126 TIP3 OH2 6.02855 4.06492 7.28642 SOLV 141 7.28642 1063 126 TIP3 H1 5.37161 4.82946 7.34972 SOLV 141 7.34972 1064 126 TIP3 H2 6.66177 4.37252 6.61601 SOLV 141 6.61601 1065 127 TIP3 OH2 0.32913 -2.15447 5.21960 SOLV 142 5.21960 1066 127 TIP3 H1 -0.32883 -2.84791 5.45588 SOLV 142 5.45588 1067 127 TIP3 H2 1.02569 -2.62105 4.93201 SOLV 142 4.93201 1068 128 TIP3 OH2 8.74424 9.00357 7.18787 SOLV 144 7.18787 1069 128 TIP3 H1 9.52394 8.40885 7.26902 SOLV 144 7.26902 1070 128 TIP3 H2 8.52813 8.97545 6.29454 SOLV 144 6.29454 1071 129 TIP3 OH2 7.32085 5.23782 0.15282 SOLV 145 0.15282 1072 129 TIP3 H1 7.64460 4.41086 -0.18930 SOLV 145 -0.18930 1073 129 TIP3 H2 7.88679 5.89644 -0.32596 SOLV 145 -0.32596 1074 130 TIP3 OH2 -5.53559 4.65204 -6.45209 SOLV 146 -6.45209 1075 130 TIP3 H1 -5.30498 5.49013 -6.77609 SOLV 146 -6.77609 1076 130 TIP3 H2 -4.64164 4.45004 -6.09231 SOLV 146 -6.09231 1077 131 TIP3