* X-RAY STRUCTURE OF SOLUTE SYSTEM 1FSC SOLVATED IN A OCTAHEDRAL VOLUME CONSTRUC * FROM A CUBE OF EDGELENGTH 67.0299 A. VOLUME CONTAINS 4470 WATER MOLECULES. * IF VOLUME SHAPE IS CUBIC, USE DIMENSIONS 67.0299. * IF VOLUME SHAPE IS OCTAHEDRAL USE BASIC DIMENSIONS OF 67.0299 X 67.0299 X 67.0 * A TETRAHEDRAL ANGLE WITH OCTAHEDRAL SYMMETRY FOR CRYSTAL FACILITY * OR USE IMAGE FACILITY WITH DIMENSIONS JUST NOTED. * CRYSTAL FACILITY LOGICAL FLAG = TRUE, USE: * SET THETA = 109.4712206344907 * CRYSTAL DEFINE OCTA 58.0496 58.0496 58.0496 109.4712206344907 109.471220634490 * DATE: 5/24/ 0 12: 2:20 CREATED BY USER: crowley * 14316 1 1 THR N -10.80020 7.18550 -5.69935 1FSC 1 0.00000 2 1 THR HT1 -11.12931 7.96318 -5.08778 1FSC 1 0.00000 3 1 THR HT2 -11.02402 6.29123 -5.21471 1FSC 1 0.00000 4 1 THR HT3 -11.30215 7.21804 -6.60780 1FSC 1 0.00000 5 1 THR CA -9.33103 7.32589 -5.89035 1FSC 1 0.00000 6 1 THR HA -9.18015 8.20414 -6.50276 1FSC 1 0.00000 7 1 THR CB -8.58627 7.49959 -4.56097 1FSC 1 0.00000 8 1 THR HB -8.55121 6.53767 -4.00053 1FSC 1 0.00000 9 1 THR OG1 -9.25278 8.45093 -3.73881 1FSC 1 0.00000 10 1 THR HG1 -8.57630 9.05756 -3.40000 1FSC 1 0.00000 11 1 THR CG2 -7.15238 8.00709 -4.80935 1FSC 1 0.00000 12 1 THR HG21 -6.62116 8.16348 -3.84616 1FSC 1 0.00000 13 1 THR HG22 -6.56855 7.27165 -5.39807 1FSC 1 0.00000 14 1 THR HG23 -7.16476 8.96975 -5.36437 1FSC 1 0.00000 15 1 THR C -8.82660 6.12199 -6.62699 1FSC 1 0.00000 16 1 THR O -9.21089 4.99261 -6.32369 1FSC 1 0.00000 17 2 MET N -7.95430 6.34080 -7.63332 1FSC 2 0.00000 18 2 MET HN -7.69120 7.27737 -7.90386 1FSC 2 0.00000 19 2 MET CA -7.26854 5.27900 -8.32749 1FSC 2 0.00000 20 2 MET HA -7.91161 4.41246 -8.39290 1FSC 2 0.00000 21 2 MET CB -6.78590 5.68775 -9.73656 1FSC 2 0.00000 22 2 MET HB1 -6.09157 6.54820 -9.64387 1FSC 2 0.00000 23 2 MET HB2 -6.21051 4.85290 -10.19226 1FSC 2 0.00000 24 2 MET CG -7.91633 6.10741 -10.69392 1FSC 2 0.00000 25 2 MET HG1 -8.41686 7.00740 -10.27156 1FSC 2 0.00000 26 2 MET HG2 -7.44926 6.42509 -11.65243 1FSC 2 0.00000 27 2 MET SD -9.15983 4.82322 -11.02898 1FSC 2 0.00000 28 2 MET CE -8.06792 3.53596 -11.70039 1FSC 2 0.00000 29 2 MET HE1 -8.66226 2.69762 -12.12272 1FSC 2 0.00000 30 2 MET HE2 -7.42399 3.94007 -12.51003 1FSC 2 0.00000 31 2 MET HE3 -7.41408 3.11211 -10.90948 1FSC 2 0.00000 32 2 MET C -6.05661 4.93975 -7.50996 1FSC 2 0.00000 33 2 MET O -5.34140 5.82854 -7.05619 1FSC 2 0.00000 34 3 CYS N -5.81771 3.64098 -7.26681 1FSC 3 0.00000 35 3 CYS HN -6.39844 2.91801 -7.64834 1FSC 3 0.00000 36 3 CYS CA -4.77465 3.21766 -6.36802 1FSC 3 0.00000 37 3 CYS HA -4.07178 4.01890 -6.18187 1FSC 3 0.00000 38 3 CYS CB -5.34520 2.68665 -5.03075 1FSC 3 0.00000 39 3 CYS HB1 -5.91649 1.75317 -5.22890 1FSC 3 0.00000 40 3 CYS HB2 -4.51450 2.42428 -4.34300 1FSC 3 0.00000 41 3 CYS SG -6.47557 3.85649 -4.20938 1FSC 3 0.00000 42 3 CYS C -4.04069 2.09244 -7.02929 1FSC 3 0.00000 43 3 CYS O -4.59568 1.37663 -7.86144 1FSC 3 0.00000 44 4 TYR N -2.76543 1.88322 -6.63880 1FSC 4 0.00000 45 4 TYR HN -2.30917 2.49802 -5.99361 1FSC 4 0.00000 46 4 TYR CA -2.02690 0.69602 -7.00748 1FSC 4 0.00000 47 4 TYR HA -2.24914 0.43179 -8.03345 1FSC 4 0.00000 48 4 TYR CB -0.50595 0.85243 -6.79209 1FSC 4 0.00000 49 4 TYR HB1 -0.31743 1.21537 -5.76084 1FSC 4 0.00000 50 4 TYR HB2 0.02502 -0.11211 -6.94398 1FSC 4 0.00000 51 4 TYR CG 0.07862 1.83625 -7.75847 1FSC 4 0.00000 52 4 TYR CD1 0.12677 1.53342 -9.12981 1FSC 4 0.00000 53 4 TYR HD1 -0.28093 0.60009 -9.49093 1FSC 4 0.00000 54 4 TYR CE1 0.71407 2.42677 -10.03483 1FSC 4 0.00000 55 4 TYR HE1 0.74969 2.18306 -11.08660 1FSC 4 0.00000 56 4 TYR CZ 1.26568 3.62773 -9.57335 1FSC 4 0.00000 57 4 TYR OH 1.87030 4.52356 -10.48006 1FSC 4 0.00000 58 4 TYR HH 2.26707 5.23361 -9.97058 1FSC 4 0.00000 59 4 TYR CD2 0.62491 3.04876 -7.30531 1FSC 4 0.00000 60 4 TYR HD2 0.59943 3.29341 -6.25298 1FSC 4 0.00000 61 4 TYR CE2 1.21990 3.93652 -8.20902 1FSC 4 0.00000 62 4 TYR HE2 1.64104 4.86190 -7.84750 1FSC 4 0.00000 63 4 TYR C -2.48297 -0.42402 -6.10910 1FSC 4 0.00000 64 4 TYR O -2.91080 -0.18421 -4.98156 1FSC 4 0.00000 65 5 SER N -2.42687 -1.67747 -6.59855 1FSC 5 0.00000 66 5 SER HN -2.12696 -1.87061 -7.53386 1FSC 5 0.00000 67 5 SER CA -2.91913 -2.79585 -5.83373 1FSC 5 0.00000 68 5 SER HA -2.83933 -2.57540 -4.78170 1FSC 5 0.00000 69 5 SER CB -4.39430 -3.11277 -6.17826 1FSC 5 0.00000 70 5 SER HB1 -4.98469 -2.18205 -6.04446 1FSC 5 0.00000 71 5 SER HB2 -4.48243 -3.43048 -7.23769 1FSC 5 0.00000 72 5 SER OG -4.94555 -4.11319 -5.32654 1FSC 5 0.00000 73 5 SER HG1 -5.83484 -4.29257 -5.64300 1FSC 5 0.00000 74 5 SER C -2.06172 -3.99439 -6.11636 1FSC 5 0.00000 75 5 SER O -1.84322 -4.34222 -7.27518 1FSC 5 0.00000 76 6 HSD N -1.56861 -4.65077 -5.04231 1FSC 6 0.00000 77 6 HSD HN -1.75355 -4.33294 -4.11002 1FSC 6 0.00000 78 6 HSD CA -0.89399 -5.92174 -5.13519 1FSC 6 0.00000 79 6 HSD HA -1.51711 -6.58340 -5.72022 1FSC 6 0.00000 80 6 HSD CB 0.53090 -5.87077 -5.75276 1FSC 6 0.00000 81 6 HSD HB1 0.96426 -6.89435 -5.79942 1FSC 6 0.00000 82 6 HSD HB2 0.44036 -5.51635 -6.79577 1FSC 6 0.00000 83 6 HSD ND1 2.27532 -5.32871 -3.97888 1FSC 6 0.00000 84 6 HSD HD1 2.28579 -6.24811 -3.56370 1FSC 6 0.00000 85 6 HSD CG 1.49959 -4.95515 -5.05340 1FSC 6 0.00000 86 6 HSD CE1 2.99730 -4.24587 -3.61233 1FSC 6 0.00000 87 6 HSD HE1 3.70094 -4.25855 -2.77967 1FSC 6 0.00000 88 6 HSD NE2 2.73930 -3.20130 -4.37578 1FSC 6 0.00000 89 6 HSD CD2 1.79684 -3.65000 -5.28470 1FSC 6 0.00000 90 6 HSD HD2 1.40269 -2.97870 -6.03693 1FSC 6 0.00000 91 6 HSD C -0.78661 -6.48845 -3.74680 1FSC 6 0.00000 92 6 HSD O -0.81438 -5.75880 -2.75648 1FSC 6 0.00000 93 7 THR N -0.62685 -7.82660 -3.65588 1FSC 7 0.00000 94 7 THR HN -0.64659 -8.40068 -4.47773 1FSC 7 0.00000 95 7 THR CA -0.29404 -8.52576 -2.43209 1FSC 7 0.00000 96 7 THR HA -0.59233 -7.92269 -1.58597 1FSC 7 0.00000 97 7 THR CB -0.97136 -9.89390 -2.31182 1FSC 7 0.00000 98 7 THR HB -0.72015 -10.35884 -1.33170 1FSC 7 0.00000 99 7 THR OG1 -0.58623 -10.78649 -3.35441 1FSC 7 0.00000 100 7 THR HG1 -0.98663 -11.63460 -3.14212 1FSC 7 0.00000 101 7 THR CG2 -2.49849 -9.69781 -2.37727 1FSC 7 0.00000 102 7 THR HG21 -3.02006 -10.66390 -2.21015 1FSC 7 0.00000 103 7 THR HG22 -2.82818 -8.98258 -1.59440 1FSC 7 0.00000 104 7 THR HG23 -2.80796 -9.30323 -3.36781 1FSC 7 0.00000 105 7 THR C 1.21578 -8.64283 -2.40962 1FSC 7 0.00000 106 7 THR O 1.91118 -7.93684 -3.13435 1FSC 7 0.00000 107 8 THR N 1.79122 -9.55345 -1.59627 1FSC 8 0.00000 108 8 THR HN 1.27017 -10.14879 -0.99079 1FSC 8 0.00000 109 8 THR CA 3.22882 -9.75722 -1.56956 1FSC 8 0.00000 110 8 THR HA 3.70678 -8.78835 -1.52016 1FSC 8 0.00000 111 8 THR CB 3.69564 -10.57099 -0.36750 1FSC 8 0.00000 112 8 THR HB 4.77295 -10.83736 -0.47457 1FSC 8 0.00000 113 8 THR OG1 2.93303 -11.76400 -0.21711 1FSC 8 0.00000 114 8 THR HG1 3.37298 -12.27736 0.46537 1FSC 8 0.00000 115 8 THR CG2 3.53057 -9.72283 0.90736 1FSC 8 0.00000 116 8 THR HG21 3.87320 -10.28885 1.79903 1FSC 8 0.00000 117 8 THR HG22 4.13852 -8.79708 0.82863 1FSC 8 0.00000 118 8 THR HG23 2.46919 -9.43468 1.05807 1FSC 8 0.00000 119 8 THR C 3.71640 -10.42498 -2.84018 1FSC 8 0.00000 120 8 THR O 4.85439 -10.21188 -3.25190 1FSC 8 0.00000 121 9 THR N 2.85879 -11.25279 -3.48068 1FSC 9 0.00000 122 9 THR HN 1.94140 -11.40983 -3.12290 1FSC 9 0.00000 123 9 THR CA 3.23129 -12.06620 -4.62050 1FSC 9 0.00000 124 9 THR HA 4.28844 -11.95062 -4.81489 1FSC 9 0.00000 125 9 THR CB 2.97396 -13.54859 -4.38487 1FSC 9 0.00000 126 9 THR HB 3.15836 -14.12995 -5.31818 1FSC 9 0.00000 127 9 THR OG1 1.64088 -13.78774 -3.94178 1FSC 9 0.00000 128 9 THR HG1 1.54226 -14.74238 -3.90288 1FSC 9 0.00000 129 9 THR CG2 3.95171 -14.04681 -3.30359 1FSC 9 0.00000 130 9 THR HG21 3.82958 -15.13879 -3.14373 1FSC 9 0.00000 131 9 THR HG22 5.00018 -13.85372 -3.61449 1FSC 9 0.00000 132 9 THR HG23 3.77004 -13.52983 -2.33777 1FSC 9 0.00000 133 9 THR C 2.52987 -11.65823 -5.89349 1FSC 9 0.00000 134 9 THR O 3.03694 -11.95314 -6.97477 1FSC 9 0.00000 135 10 SER N 1.34346 -11.00034 -5.83290 1FSC 10 0.00000 136 10 SER HN 0.92372 -10.72822 -4.96807 1FSC 10 0.00000 137 10 SER CA 0.57418 -10.74147 -7.03848 1FSC 10 0.00000 138 10 SER HA 0.60342 -11.65091 -7.62334 1FSC 10 0.00000 139 10 SER CB -0.93653 -10.44221 -6.80281 1FSC 10 0.00000 140 10 SER HB1 -1.47974 -10.47022 -7.77227 1FSC 10 0.00000 141 10 SER HB2 -1.35913 -11.23790 -6.15140 1FSC 10 0.00000 142 10 SER OG -1.17579 -9.17790 -6.19082 1FSC 10 0.00000 143 10 SER HG1 -2.12745 -9.04040 -6.22241 1FSC 10 0.00000 144 10 SER C 1.18091 -9.65181 -7.89229 1FSC 10 0.00000 145 10 SER O 2.02362 -8.86907 -7.45520 1FSC 10 0.00000 146 11 ARG N 0.73370 -9.58859 -9.16558 1FSC 11 0.00000 147 11 ARG HN 0.05205 -10.22927 -9.50266 1FSC 11 0.00000 148 11 ARG CA 1.14230 -8.57340 -10.10285 1FSC 11 0.00000 149 11 ARG HA 2.21612 -8.45594 -10.04228 1FSC 11 0.00000 150 11 ARG CB 0.73118 -8.93112 -11.55277 1FSC 11 0.00000 151 11 ARG HB1 -0.37440 -9.05458 -11.59374 1FSC 11 0.00000 152 11 ARG HB2 1.00621 -8.09675 -12.23629 1FSC 11 0.00000 153 11 ARG CG 1.39114 -10.22278 -12.07227 1FSC 11 0.00000 154 11 ARG HG1 2.49146 -10.06134 -12.11580 1FSC 11 0.00000 155 11 ARG HG2 1.19949 -11.05000 -11.35399 1FSC 11 0.00000 156 11 ARG CD 0.87730 -10.64709 -13.45628 1FSC 11 0.00000 157 11 ARG HD1 -0.21132 -10.86886 -13.43736 1FSC 11 0.00000 158 11 ARG HD2 1.05768 -9.83154 -14.19101 1FSC 11 0.00000 159 11 ARG NE 1.65220 -11.85405 -13.91232 1FSC 11 0.00000 160 11 ARG HE 2.49603 -11.70175 -14.42148 1FSC 11 0.00000 161 11 ARG CZ 1.28989 -13.14333 -13.67522 1FSC 11 0.00000 162 11 ARG NH1 0.17082 -13.45405 -12.98376 1FSC 11 0.00000 163 11 ARG HH11 -0.06961 -14.40836 -12.82881 1FSC 11 0.00000 164 11 ARG HH12 -0.40463 -12.72027 -12.63538 1FSC 11 0.00000 165 11 ARG NH2 2.07198 -14.14459 -14.14559 1FSC 11 0.00000 166 11 ARG HH21 1.81636 -15.09299 -13.97772 1FSC 11 0.00000 167 11 ARG HH22 2.89981 -13.93010 -14.65727 1FSC 11 0.00000 168 11 ARG C 0.48223 -7.27236 -9.72001 1FSC 11 0.00000 169 11 ARG O -0.64783 -7.25642 -9.23282 1FSC 11 0.00000 170 12 ALA N 1.19233 -6.14140 -9.92397 1FSC 12 0.00000 171 12 ALA HN 2.10891 -6.15729 -10.31212 1FSC 12 0.00000 172 12 ALA CA 0.66927 -4.83860 -9.60100 1FSC 12 0.00000 173 12 ALA HA 0.12387 -4.90875 -8.67491 1FSC 12 0.00000 174 12 ALA CB 1.77370 -3.77978 -9.42899 1FSC 12 0.00000 175 12 ALA HB1 2.47120 -4.09044 -8.62189 1FSC 12 0.00000 176 12 ALA HB2 2.35577 -3.66194 -10.36811 1FSC 12 0.00000 177 12 ALA HB3 1.33828 -2.79541 -9.15330 1FSC 12 0.00000 178 12 ALA C -0.29482 -4.40679 -10.66992 1FSC 12 0.00000 179 12 ALA O 0.01905 -4.43070 -11.85876 1FSC 12 0.00000 180 13 ILE N -1.51930 -4.03921 -10.24413 1FSC 13 0.00000 181 13 ILE HN -1.75023 -4.05941 -9.27033 1FSC 13 0.00000 182 13 ILE CA -2.57252 -3.60749 -11.12850 1FSC 13 0.00000 183 13 ILE HA -2.18539 -3.48846 -12.13142 1FSC 13 0.00000 184 13 ILE CB -3.76453 -4.56460 -11.17177 1FSC 13 0.00000 185 13 ILE HB -4.52136 -4.16513 -11.88657 1FSC 13 0.00000 186 13 ILE CG2 -3.26244 -5.91330 -11.73646 1FSC 13 0.00000 187 13 ILE HG21 -4.11438 -6.59678 -11.93208 1FSC 13 0.00000 188 13 ILE HG22 -2.71921 -5.75340 -12.69169 1FSC 13 0.00000 189 13 ILE HG23 -2.57543 -6.40769 -11.01768 1FSC 13 0.00000 190 13 ILE CG1 -4.45609 -4.72642 -9.79337 1FSC 13 0.00000 191 13 ILE HG11 -3.73777 -5.17697 -9.07373 1FSC 13 0.00000 192 13 ILE HG12 -4.74336 -3.72469 -9.40637 1FSC 13 0.00000 193 13 ILE CD -5.72575 -5.58288 -9.83670 1FSC 13 0.00000 194 13 ILE HD1 -6.20512 -5.60937 -8.83487 1FSC 13 0.00000 195 13 ILE HD2 -6.45264 -5.16028 -10.56300 1FSC 13 0.00000 196 13 ILE HD3 -5.49062 -6.62602 -10.13531 1FSC 13 0.00000 197 13 ILE C -3.00219 -2.24938 -10.65302 1FSC 13 0.00000 198 13 ILE O -2.63928 -1.81502 -9.55905 1FSC 13 0.00000 199 14 LEU N -3.80039 -1.54212 -11.47917 1FSC 14 0.00000 200 14 LEU HN -4.08207 -1.89728 -12.36646 1FSC 14 0.00000 201 14 LEU CA -4.38306 -0.28064 -11.10362 1FSC 14 0.00000 202 14 LEU HA -3.93470 0.06730 -10.18459 1FSC 14 0.00000 203 14 LEU CB -4.20821 0.79357 -12.20070 1FSC 14 0.00000 204 14 LEU HB1 -3.17691 0.70779 -12.61058 1FSC 14 0.00000 205 14 LEU HB2 -4.91029 0.59294 -13.03918 1FSC 14 0.00000 206 14 LEU CG -4.38962 2.24489 -11.70356 1FSC 14 0.00000 207 14 LEU HG -5.35395 2.29843 -11.14827 1FSC 14 0.00000 208 14 LEU CD1 -3.26575 2.68233 -10.74502 1FSC 14 0.00000 209 14 LEU HD11 -3.47076 3.70596 -10.36741 1FSC 14 0.00000 210 14 LEU HD12 -3.18581 2.00498 -9.87270 1FSC 14 0.00000 211 14 LEU HD13 -2.28884 2.68783 -11.27306 1FSC 14 0.00000 212 14 LEU CD2 -4.47963 3.22138 -12.88843 1FSC 14 0.00000 213 14 LEU HD21 -4.66084 4.25434 -12.52305 1FSC 14 0.00000 214 14 LEU HD22 -3.53400 3.20918 -13.47046 1FSC 14 0.00000 215 14 LEU HD23 -5.31427 2.93391 -13.56253 1FSC 14 0.00000 216 14 LEU C -5.83680 -0.55751 -10.84563 1FSC 14 0.00000 217 14 LEU O -6.48495 -1.27248 -11.60899 1FSC 14 0.00000 218 15 THR N -6.36576 -0.03814 -9.72066 1FSC 15 0.00000 219 15 THR HN -5.83399 0.55694 -9.11355 1FSC 15 0.00000 220 15 THR CA -7.68127 -0.40298 -9.25732 1FSC 15 0.00000 221 15 THR HA -8.23279 -0.85933 -10.06884 1FSC 15 0.00000 222 15 THR CB -7.59473 -1.40666 -8.10470 1FSC 15 0.00000 223 15 THR HB -6.80383 -2.14945 -8.36008 1FSC 15 0.00000 224 15 THR OG1 -8.80613 -2.13146 -7.95936 1FSC 15 0.00000 225 15 THR HG1 -8.63977 -2.81068 -7.30167 1FSC 15 0.00000 226 15 THR CG2 -7.23659 -0.74608 -6.76151 1FSC 15 0.00000 227 15 THR HG21 -7.14468 -1.51144 -5.96273 1FSC 15 0.00000 228 15 THR HG22 -6.27381 -0.20094 -6.83590 1FSC 15 0.00000 229 15 THR HG23 -8.02762 -0.03166 -6.45898 1FSC 15 0.00000 230 15 THR C -8.39735 0.87633 -8.90262 1FSC 15 0.00000 231 15 THR O -7.78908 1.82244 -8.40238 1FSC 15 0.00000 232 16 ASN N -9.71985 0.94908 -9.18116 1FSC 16 0.00000 233 16 ASN HN -10.20408 0.17763 -9.58610 1FSC 16 0.00000 234 16 ASN CA -10.53416 2.09034 -8.82508 1FSC 16 0.00000 235 16 ASN HA -9.90053 2.95875 -8.69651 1FSC 16 0.00000 236 16 ASN CB -11.62420 2.40981 -9.89044 1FSC 16 0.00000 237 16 ASN HB1 -11.13096 2.43236 -10.88621 1FSC 16 0.00000 238 16 ASN HB2 -12.39987 1.61727 -9.90871 1FSC 16 0.00000 239 16 ASN CG -12.29348 3.77446 -9.64965 1FSC 16 0.00000 240 16 ASN OD1 -12.27809 4.33091 -8.54711 1FSC 16 0.00000 241 16 ASN ND2 -12.89684 4.33491 -10.73554 1FSC 16 0.00000 242 16 ASN HD21 -13.33964 5.22375 -10.63386 1FSC 16 0.00000 243 16 ASN HD22 -12.88784 3.86136 -11.61426 1FSC 16 0.00000 244 16 ASN C -11.16264 1.74163 -7.50323 1FSC 16 0.00000 245 16 ASN O -12.04830 0.89306 -7.42807 1FSC 16 0.00000 246 17 CYS N -10.70025 2.39716 -6.41851 1FSC 17 0.00000 247 17 CYS HN -9.98895 3.09735 -6.49275 1FSC 17 0.00000 248 17 CYS CA -11.15747 2.10539 -5.07923 1FSC 17 0.00000 249 17 CYS HA -11.40061 1.05392 -5.00792 1FSC 17 0.00000 250 17 CYS CB -10.08281 2.44865 -4.02788 1FSC 17 0.00000 251 17 CYS HB1 -9.78155 3.51373 -4.13209 1FSC 17 0.00000 252 17 CYS HB2 -10.48807 2.31332 -3.00522 1FSC 17 0.00000 253 17 CYS SG -8.62893 1.38358 -4.19885 1FSC 17 0.00000 254 17 CYS C -12.40702 2.87192 -4.74347 1FSC 17 0.00000 255 17 CYS O -13.01210 2.64144 -3.69744 1FSC 17 0.00000 256 18 GLY N -12.83504 3.80494 -5.62649 1FSC 18 0.00000 257 18 GLY HN -12.35155 3.95173 -6.49055 1FSC 18 0.00000 258 18 GLY CA -14.05417 4.56157 -5.44441 1FSC 18 0.00000 259 18 GLY HA1 -14.85789 3.87222 -5.22494 1FSC 18 0.00000 260 18 GLY HA2 -14.21338 5.13313 -6.34666 1FSC 18 0.00000 261 18 GLY C -13.90288 5.52558 -4.30817 1FSC 18 0.00000 262 18 GLY O -13.04290 6.39823 -4.33606 1FSC 18 0.00000 263 19 GLU N -14.72921 5.36967 -3.25613 1FSC 19 0.00000 264 19 GLU HN -15.42130 4.65428 -3.23802 1FSC 19 0.00000 265 19 GLU CA -14.70007 6.25533 -2.11424 1FSC 19 0.00000 266 19 GLU HA -14.23473 7.18928 -2.39689 1FSC 19 0.00000 267 19 GLU CB -16.12774 6.56361 -1.60571 1FSC 19 0.00000 268 19 GLU HB1 -16.69290 5.61459 -1.48676 1FSC 19 0.00000 269 19 GLU HB2 -16.08626 7.06144 -0.60970 1FSC 19 0.00000 270 19 GLU CG -16.89018 7.50543 -2.55988 1FSC 19 0.00000 271 19 GLU HG1 -16.95102 7.05790 -3.57343 1FSC 19 0.00000 272 19 GLU HG2 -17.91932 7.68327 -2.18499 1FSC 19 0.00000 273 19 GLU CD -16.16172 8.84766 -2.64457 1FSC 19 0.00000 274 19 GLU OE1 -16.14831 9.57658 -1.61802 1FSC 19 0.00000 275 19 GLU OE2 -15.59377 9.14506 -3.72872 1FSC 19 0.00000 276 19 GLU C -13.85738 5.71548 -0.98900 1FSC 19 0.00000 277 19 GLU O -13.77151 6.33333 0.07011 1FSC 19 0.00000 278 20 ASN N -13.16182 4.57189 -1.18304 1FSC 20 0.00000 279 20 ASN HN -13.21595 4.06045 -2.04027 1FSC 20 0.00000 280 20 ASN CA -12.19692 4.11658 -0.20422 1FSC 20 0.00000 281 20 ASN HA -12.53067 4.38115 0.79094 1FSC 20 0.00000 282 20 ASN CB -11.90985 2.58915 -0.25654 1FSC 20 0.00000 283 20 ASN HB1 -11.60899 2.30469 -1.28488 1FSC 20 0.00000 284 20 ASN HB2 -11.07380 2.33109 0.42859 1FSC 20 0.00000 285 20 ASN CG -13.09590 1.69451 0.13513 1FSC 20 0.00000 286 20 ASN OD1 -12.99645 0.47246 -0.01476 1FSC 20 0.00000 287 20 ASN ND2 -14.20961 2.27964 0.65232 1FSC 20 0.00000 288 20 ASN HD21 -14.97685 1.69870 0.91709 1FSC 20 0.00000 289 20 ASN HD22 -14.26437 3.27425 0.72472 1FSC 20 0.00000 290 20 ASN C -10.89563 4.83899 -0.45297 1FSC 20 0.00000 291 20 ASN O -10.64499 5.37500 -1.53229 1FSC 20 0.00000 292 21 SER N -10.02093 4.85144 0.57199 1FSC 21 0.00000 293 21 SER HN -10.22926 4.43875 1.45516 1FSC 21 0.00000 294 21 SER CA -8.68259 5.37221 0.46447 1FSC 21 0.00000 295 21 SER HA -8.69316 6.25678 -0.15777 1FSC 21 0.00000 296 21 SER CB -8.10080 5.74317 1.85625 1FSC 21 0.00000 297 21 SER HB1 -7.02090 5.99068 1.79249 1FSC 21 0.00000 298 21 SER HB2 -8.63789 6.63985 2.23423 1FSC 21 0.00000 299 21 SER OG -8.29046 4.69408 2.80056 1FSC 21 0.00000 300 21 SER HG1 -7.86225 4.97449 3.61331 1FSC 21 0.00000 301 21 SER C -7.80923 4.34051 -0.20701 1FSC 21 0.00000 302 21 SER O -8.21724 3.20567 -0.44615 1FSC 21 0.00000 303 22 CYS N -6.56886 4.73276 -0.53698 1FSC 22 0.00000 304 22 CYS HN -6.27238 5.68009 -0.39138 1FSC 22 0.00000 305 22 CYS CA -5.54404 3.82789 -0.97533 1FSC 22 0.00000 306 22 CYS HA -5.97708 2.92099 -1.37392 1FSC 22 0.00000 307 22 CYS CB -4.57278 4.47438 -1.99081 1FSC 22 0.00000 308 22 CYS HB1 -3.94902 5.23699 -1.47933 1FSC 22 0.00000 309 22 CYS HB2 -3.90855 3.67116 -2.35776 1FSC 22 0.00000 310 22 CYS SG -5.29445 5.28393 -3.43874 1FSC 22 0.00000 311 22 CYS C -4.71268 3.52156 0.24359 1FSC 22 0.00000 312 22 CYS O -4.61139 4.37213 1.12588 1FSC 22 0.00000 313 23 TYR N -4.06732 2.33326 0.31492 1FSC 23 0.00000 314 23 TYR HN -4.21924 1.61185 -0.36231 1FSC 23 0.00000 315 23 TYR CA -3.08733 2.07480 1.35054 1FSC 23 0.00000 316 23 TYR HA -2.87125 3.00794 1.84331 1FSC 23 0.00000 317 23 TYR CB -3.54107 1.09254 2.46718 1FSC 23 0.00000 318 23 TYR HB1 -2.82364 1.14183 3.31302 1FSC 23 0.00000 319 23 TYR HB2 -4.52931 1.41512 2.85407 1FSC 23 0.00000 320 23 TYR CG -3.64391 -0.35104 2.03416 1FSC 23 0.00000 321 23 TYR CD1 -2.53483 -1.20946 2.15402 1FSC 23 0.00000 322 23 TYR HD1 -1.60433 -0.82882 2.54727 1FSC 23 0.00000 323 23 TYR CE1 -2.62084 -2.54802 1.75536 1FSC 23 0.00000 324 23 TYR HE1 -1.75580 -3.18988 1.83182 1FSC 23 0.00000 325 23 TYR CZ -3.82817 -3.04984 1.25651 1FSC 23 0.00000 326 23 TYR OH -3.91313 -4.39924 0.85641 1FSC 23 0.00000 327 23 TYR HH -4.78348 -4.53996 0.47710 1FSC 23 0.00000 328 23 TYR CD2 -4.84716 -0.86533 1.53183 1FSC 23 0.00000 329 23 TYR HD2 -5.70464 -0.21683 1.44053 1FSC 23 0.00000 330 23 TYR CE2 -4.94495 -2.21117 1.15497 1FSC 23 0.00000 331 23 TYR HE2 -5.87973 -2.59249 0.77275 1FSC 23 0.00000 332 23 TYR C -1.78045 1.61915 0.76284 1FSC 23 0.00000 333 23 TYR O -1.73400 1.05133 -0.32736 1FSC 23 0.00000 334 24 ARG N -0.69020 1.84948 1.52364 1FSC 24 0.00000 335 24 ARG HN -0.77756 2.36836 2.37646 1FSC 24 0.00000 336 24 ARG CA 0.62317 1.32730 1.24920 1FSC 24 0.00000 337 24 ARG HA 0.57103 0.55584 0.49233 1FSC 24 0.00000 338 24 ARG CB 1.60761 2.43897 0.83484 1FSC 24 0.00000 339 24 ARG HB1 1.16902 2.99463 -0.02215 1FSC 24 0.00000 340 24 ARG HB2 1.70894 3.16556 1.66919 1FSC 24 0.00000 341 24 ARG CG 2.99765 1.93338 0.41067 1FSC 24 0.00000 342 24 ARG HG1 3.41016 1.23438 1.17122 1FSC 24 0.00000 343 24 ARG HG2 2.88381 1.36482 -0.53938 1FSC 24 0.00000 344 24 ARG CD 3.99431 3.07405 0.18353 1FSC 24 0.00000 345 24 ARG HD1 4.94297 2.69537 -0.25447 1FSC 24 0.00000 346 24 ARG HD2 3.54437 3.83288 -0.49439 1FSC 24 0.00000 347 24 ARG NE 4.29507 3.67738 1.52552 1FSC 24 0.00000 348 24 ARG HE 4.19371 3.10254 2.33546 1FSC 24 0.00000 349 24 ARG CZ 4.73815 4.94839 1.69717 1FSC 24 0.00000 350 24 ARG NH1 4.89594 5.78809 0.64541 1FSC 24 0.00000 351 24 ARG HH11 5.33216 6.67172 0.78154 1FSC 24 0.00000 352 24 ARG HH12 4.69964 5.47311 -0.29132 1FSC 24 0.00000 353 24 ARG NH2 5.02909 5.38230 2.94964 1FSC 24 0.00000 354 24 ARG HH21 5.38352 6.30178 3.09148 1FSC 24 0.00000 355 24 ARG HH22 4.94369 4.76938 3.73883 1FSC 24 0.00000 356 24 ARG C 1.10213 0.72536 2.54161 1FSC 24 0.00000 357 24 ARG O 1.17033 1.41237 3.55884 1FSC 24 0.00000 358 25 LYS N 1.42438 -0.58339 2.52990 1FSC 25 0.00000 359 25 LYS HN 1.36241 -1.12427 1.68703 1FSC 25 0.00000 360 25 LYS CA 1.81961 -1.32376 3.70180 1FSC 25 0.00000 361 25 LYS HA 1.67409 -0.72388 4.58789 1FSC 25 0.00000 362 25 LYS CB 0.96949 -2.60360 3.82636 1FSC 25 0.00000 363 25 LYS HB1 -0.09428 -2.27230 3.86148 1FSC 25 0.00000 364 25 LYS HB2 1.08894 -3.22735 2.91379 1FSC 25 0.00000 365 25 LYS CG 1.23271 -3.45552 5.07718 1FSC 25 0.00000 366 25 LYS HG1 2.12385 -4.10074 4.92196 1FSC 25 0.00000 367 25 LYS HG2 1.45194 -2.77382 5.93111 1FSC 25 0.00000 368 25 LYS CD 0.00419 -4.30258 5.45599 1FSC 25 0.00000 369 25 LYS HD1 0.20213 -4.81533 6.42221 1FSC 25 0.00000 370 25 LYS HD2 -0.84265 -3.59682 5.62021 1FSC 25 0.00000 371 25 LYS CE -0.39520 -5.34387 4.40084 1FSC 25 0.00000 372 25 LYS HE1 -0.46714 -4.88776 3.39063 1FSC 25 0.00000 373 25 LYS HE2 0.34191 -6.17377 4.37195 1FSC 25 0.00000 374 25 LYS NZ -1.72793 -5.91136 4.71383 1FSC 25 0.00000 375 25 LYS HZ1 -1.98233 -6.62547 4.00170 1FSC 25 0.00000 376 25 LYS HZ2 -1.70399 -6.35379 5.65501 1FSC 25 0.00000 377 25 LYS HZ3 -2.43845 -5.15191 4.70906 1FSC 25 0.00000 378 25 LYS C 3.27785 -1.66336 3.57447 1FSC 25 0.00000 379 25 LYS O 3.67055 -2.39211 2.66787 1FSC 25 0.00000 380 26 SER N 4.11558 -1.11378 4.47791 1FSC 26 0.00000 381 26 SER HN 3.75433 -0.55448 5.22842 1FSC 26 0.00000 382 26 SER CA 5.55610 -1.24476 4.43406 1FSC 26 0.00000 383 26 SER HA 5.84973 -1.87167 3.60744 1FSC 26 0.00000 384 26 SER CB 6.28557 0.12069 4.36318 1FSC 26 0.00000 385 26 SER HB1 6.01511 0.74434 5.24411 1FSC 26 0.00000 386 26 SER HB2 7.38759 -0.03208 4.35788 1FSC 26 0.00000 387 26 SER OG 5.92531 0.83317 3.18507 1FSC 26 0.00000 388 26 SER HG1 6.44281 1.64332 3.19522 1FSC 26 0.00000 389 26 SER C 6.00559 -1.89010 5.70813 1FSC 26 0.00000 390 26 SER O 5.34769 -1.75527 6.73413 1FSC 26 0.00000 391 27 ARG N 7.16559 -2.58518 5.69923 1FSC 27 0.00000 392 27 ARG HN 7.68170 -2.72857 4.85514 1FSC 27 0.00000 393 27 ARG CA 7.76525 -3.04692 6.93403 1FSC 27 0.00000 394 27 ARG HA 6.97347 -3.23867 7.64478 1FSC 27 0.00000 395 27 ARG CB 8.54311 -4.38297 6.83628 1FSC 27 0.00000 396 27 ARG HB1 9.08560 -4.56612 7.79008 1FSC 27 0.00000 397 27 ARG HB2 7.79068 -5.19813 6.73158 1FSC 27 0.00000 398 27 ARG CG 9.51696 -4.51222 5.65524 1FSC 27 0.00000 399 27 ARG HG1 8.93348 -4.44241 4.70999 1FSC 27 0.00000 400 27 ARG HG2 10.24440 -3.67407 5.67016 1FSC 27 0.00000 401 27 ARG CD 10.26454 -5.85540 5.64875 1FSC 27 0.00000 402 27 ARG HD1 9.54651 -6.68684 5.81515 1FSC 27 0.00000 403 27 ARG HD2 10.78530 -6.00928 4.68015 1FSC 27 0.00000 404 27 ARG NE 11.31876 -5.81358 6.71952 1FSC 27 0.00000 405 27 ARG HE 11.86034 -4.97258 6.80806 1FSC 27 0.00000 406 27 ARG CZ 11.67418 -6.86798 7.49644 1FSC 27 0.00000 407 27 ARG NH1 10.97411 -8.02442 7.48688 1FSC 27 0.00000 408 27 ARG HH11 11.25976 -8.78254 8.06632 1FSC 27 0.00000 409 27 ARG HH12 10.17671 -8.10613 6.89721 1FSC 27 0.00000 410 27 ARG NH2 12.75746 -6.76674 8.30227 1FSC 27 0.00000 411 27 ARG HH21 13.03956 -7.54487 8.85545 1FSC 27 0.00000 412 27 ARG HH22 13.34682 -5.95536 8.25816 1FSC 27 0.00000 413 27 ARG C 8.61933 -1.94947 7.52523 1FSC 27 0.00000 414 27 ARG O 9.27044 -1.17957 6.82007 1FSC 27 0.00000 415 28 ARG N 8.57775 -1.84716 8.87148 1FSC 28 0.00000 416 28 ARG HN 8.00512 -2.47867 9.40167 1FSC 28 0.00000 417 28 ARG CA 9.22094 -0.81361 9.64488 1FSC 28 0.00000 418 28 ARG HA 9.21096 0.10523 9.07412 1FSC 28 0.00000 419 28 ARG CB 8.51432 -0.57676 11.00070 1FSC 28 0.00000 420 28 ARG HB1 8.48372 -1.51079 11.60301 1FSC 28 0.00000 421 28 ARG HB2 9.09480 0.17992 11.57686 1FSC 28 0.00000 422 28 ARG CG 7.08938 -0.03728 10.80696 1FSC 28 0.00000 423 28 ARG HG1 7.04385 0.42665 9.79364 1FSC 28 0.00000 424 28 ARG HG2 6.35431 -0.86783 10.81513 1FSC 28 0.00000 425 28 ARG CD 6.69457 1.06441 11.79713 1FSC 28 0.00000 426 28 ARG HD1 7.52741 1.79403 11.90181 1FSC 28 0.00000 427 28 ARG HD2 5.78528 1.59097 11.42952 1FSC 28 0.00000 428 28 ARG NE 6.35986 0.45960 13.12483 1FSC 28 0.00000 429 28 ARG HE 6.04050 -0.48768 13.15473 1FSC 28 0.00000 430 28 ARG CZ 6.19853 1.21331 14.24340 1FSC 28 0.00000 431 28 ARG NH1 6.65081 2.48641 14.30773 1FSC 28 0.00000 432 28 ARG HH11 6.51384 3.01839 15.13841 1FSC 28 0.00000 433 28 ARG HH12 7.13012 2.87273 13.52579 1FSC 28 0.00000 434 28 ARG NH2 5.54842 0.68871 15.30634 1FSC 28 0.00000 435 28 ARG HH21 5.40996 1.23016 16.13042 1FSC 28 0.00000 436 28 ARG HH22 5.09933 -0.19735 15.20229 1FSC 28 0.00000 437 28 ARG C 10.64959 -1.15967 9.92624 1FSC 28 0.00000 438 28 ARG O 11.49399 -0.27506 10.03886 1FSC 28 0.00000 439 29 HSE N 10.96179 -2.46395 10.05071 1FSC 29 0.00000 440 29 HSE HN 10.27242 -3.17486 9.95085 1FSC 29 0.00000 441 29 HSE CA 12.30511 -2.89014 10.35191 1FSC 29 0.00000 442 29 HSE HA 12.74810 -2.15768 11.00949 1FSC 29 0.00000 443 29 HSE CB 12.35023 -4.24937 11.07613 1FSC 29 0.00000 444 29 HSE HB1 12.00262 -5.05793 10.39884 1FSC 29 0.00000 445 29 HSE HB2 13.38961 -4.47737 11.39639 1FSC 29 0.00000 446 29 HSE ND1 11.54723 -3.26675 13.23120 1FSC 29 0.00000 447 29 HSE CG 11.46520 -4.27056 12.28224 1FSC 29 0.00000 448 29 HSE CE1 10.60798 -3.55904 14.10970 1FSC 29 0.00000 449 29 HSE HE1 10.37622 -2.97032 14.99668 1FSC 29 0.00000 450 29 HSE NE2 9.93789 -4.68912 13.77915 1FSC 29 0.00000 451 29 HSE HE2 9.16533 -5.11766 14.25974 1FSC 29 0.00000 452 29 HSE CD2 10.48418 -5.15079 12.60485 1FSC 29 0.00000 453 29 HSE HD2 10.14235 -6.03707 12.08921 1FSC 29 0.00000 454 29 HSE C 13.07539 -3.01834 9.05933 1FSC 29 0.00000 455 29 HSE O 12.48366 -3.42959 8.05819 1FSC 29 0.00000 456 30 PRO N 14.37414 -2.72082 9.00585 1FSC 30 0.00000 457 30 PRO CD 15.04965 -1.83037 9.95470 1FSC 30 0.00000 458 30 PRO HD1 14.37845 -1.01746 10.31027 1FSC 30 0.00000 459 30 PRO HD2 15.41167 -2.43890 10.81152 1FSC 30 0.00000 460 30 PRO CA 15.15419 -2.88893 7.79217 1FSC 30 0.00000 461 30 PRO HA 14.67597 -2.29621 7.03235 1FSC 30 0.00000 462 30 PRO CB 16.53973 -2.34939 8.16659 1FSC 30 0.00000 463 30 PRO HB1 17.09573 -1.97451 7.28381 1FSC 30 0.00000 464 30 PRO HB2 17.14336 -3.13187 8.67965 1FSC 30 0.00000 465 30 PRO CG 16.22431 -1.24150 9.17145 1FSC 30 0.00000 466 30 PRO HG1 15.88999 -0.33048 8.62838 1FSC 30 0.00000 467 30 PRO HG2 17.08804 -0.99339 9.81992 1FSC 30 0.00000 468 30 PRO C 15.23577 -4.34653 7.36892 1FSC 30 0.00000 469 30 PRO O 15.18228 -5.19320 8.26178 1FSC 30 0.00000 470 31 PRO N 15.34477 -4.70005 6.09623 1FSC 31 0.00000 471 31 PRO CD 15.50535 -6.10488 5.72122 1FSC 31 0.00000 472 31 PRO HD1 16.53935 -6.42186 5.97922 1FSC 31 0.00000 473 31 PRO HD2 14.76608 -6.74841 6.24546 1FSC 31 0.00000 474 31 PRO CA 15.22143 -3.82541 4.93703 1FSC 31 0.00000 475 31 PRO HA 15.86017 -2.96102 5.04939 1FSC 31 0.00000 476 31 PRO CB 15.65597 -4.71913 3.76577 1FSC 31 0.00000 477 31 PRO HB1 16.76161 -4.65349 3.65698 1FSC 31 0.00000 478 31 PRO HB2 15.18473 -4.44026 2.80184 1FSC 31 0.00000 479 31 PRO CG 15.29168 -6.14320 4.20725 1FSC 31 0.00000 480 31 PRO HG1 15.91012 -6.91459 3.70746 1FSC 31 0.00000 481 31 PRO HG2 14.21722 -6.33527 3.99488 1FSC 31 0.00000 482 31 PRO C 13.78833 -3.35640 4.77221 1FSC 31 0.00000 483 31 PRO O 12.87748 -4.18014 4.76102 1FSC 31 0.00000 484 32 LYS N 13.55716 -2.02803 4.66113 1FSC 32 0.00000 485 32 LYS HN 14.29654 -1.36186 4.63427 1FSC 32 0.00000 486 32 LYS CA 12.21839 -1.48902 4.57928 1FSC 32 0.00000 487 32 LYS HA 11.56713 -2.07168 5.21502 1FSC 32 0.00000 488 32 LYS CB 12.11424 -0.01349 5.02178 1FSC 32 0.00000 489 32 LYS HB1 12.74501 0.61788 4.35632 1FSC 32 0.00000 490 32 LYS HB2 11.05802 0.32443 4.91288 1FSC 32 0.00000 491 32 LYS CG 12.53886 0.23793 6.47744 1FSC 32 0.00000 492 32 LYS HG1 11.94258 -0.40589 7.16135 1FSC 32 0.00000 493 32 LYS HG2 13.61035 -0.03671 6.59408 1FSC 32 0.00000 494 32 LYS CD 12.35102 1.71438 6.86291 1FSC 32 0.00000 495 32 LYS HD1 12.78351 2.33487 6.04452 1FSC 32 0.00000 496 32 LYS HD2 11.26025 1.92959 6.91439 1FSC 32 0.00000 497 32 LYS CE 13.02933 2.10272 8.18088 1FSC 32 0.00000 498 32 LYS HE1 12.59225 1.54884 9.03310 1FSC 32 0.00000 499 32 LYS HE2 14.11935 1.89295 8.13199 1FSC 32 0.00000 500 32 LYS NZ 12.85573 3.54947 8.44749 1FSC 32 0.00000 501 32 LYS HZ1 13.31212 3.79694 9.34871 1FSC 32 0.00000 502 32 LYS HZ2 13.28597 4.10044 7.67767 1FSC 32 0.00000 503 32 LYS HZ3 11.84058 3.76991 8.50309 1FSC 32 0.00000 504 32 LYS C 11.74004 -1.59196 3.15474 1FSC 32 0.00000 505 32 LYS O 12.40740 -1.13507 2.22858 1FSC 32 0.00000 506 33 MET N 10.56905 -2.22556 2.95426 1FSC 33 0.00000 507 33 MET HN 10.01978 -2.57532 3.70817 1FSC 33 0.00000 508 33 MET CA 10.04203 -2.46482 1.63715 1FSC 33 0.00000 509 33 MET HA 10.28556 -1.62768 0.99606 1FSC 33 0.00000 510 33 MET CB 10.56031 -3.78328 1.00906 1FSC 33 0.00000 511 33 MET HB1 10.07144 -3.95679 0.02577 1FSC 33 0.00000 512 33 MET HB2 11.64817 -3.65043 0.81867 1FSC 33 0.00000 513 33 MET CG 10.36255 -5.02176 1.90559 1FSC 33 0.00000 514 33 MET HG1 10.90879 -4.84529 2.85670 1FSC 33 0.00000 515 33 MET HG2 9.28503 -5.10762 2.15501 1FSC 33 0.00000 516 33 MET SD 10.92302 -6.59546 1.19092 1FSC 33 0.00000 517 33 MET CE 12.69036 -6.17849 1.14538 1FSC 33 0.00000 518 33 MET HE1 13.30153 -7.07744 0.91565 1FSC 33 0.00000 519 33 MET HE2 12.90761 -5.41791 0.36557 1FSC 33 0.00000 520 33 MET HE3 13.02830 -5.77480 2.12324 1FSC 33 0.00000 521 33 MET C 8.55066 -2.52708 1.75322 1FSC 33 0.00000 522 33 MET O 8.00900 -2.75569 2.83496 1FSC 33 0.00000 523 34 VAL N 7.86162 -2.31564 0.61094 1FSC 34 0.00000 524 34 VAL HN 8.33711 -2.15170 -0.24859 1FSC 34 0.00000 525 34 VAL CA 6.42229 -2.30558 0.51756 1FSC 34 0.00000 526 34 VAL HA 6.01556 -1.95993 1.45665 1FSC 34 0.00000 527 34 VAL CB 5.91458 -1.38566 -0.58668 1FSC 34 0.00000 528 34 VAL HB 6.25503 -1.75485 -1.58097 1FSC 34 0.00000 529 34 VAL CG1 4.37221 -1.34815 -0.56983 1FSC 34 0.00000 530 34 VAL HG11 4.00068 -0.59705 -1.29491 1FSC 34 0.00000 531 34 VAL HG12 3.93995 -2.33208 -0.84603 1FSC 34 0.00000 532 34 VAL HG13 4.00287 -1.06590 0.43844 1FSC 34 0.00000 533 34 VAL CG2 6.49999 0.02657 -0.37118 1FSC 34 0.00000 534 34 VAL HG21 6.08572 0.72812 -1.12446 1FSC 34 0.00000 535 34 VAL HG22 6.23081 0.40239 0.63745 1FSC 34 0.00000 536 34 VAL HG23 7.60466 0.02969 -0.47058 1FSC 34 0.00000 537 34 VAL C 5.95840 -3.72290 0.27222 1FSC 34 0.00000 538 34 VAL O 6.32955 -4.35220 -0.71611 1FSC 34 0.00000 539 35 LEU N 5.13101 -4.25274 1.19719 1FSC 35 0.00000 540 35 LEU HN 4.82244 -3.69165 1.96728 1FSC 35 0.00000 541 35 LEU CA 4.60380 -5.59906 1.16891 1FSC 35 0.00000 542 35 LEU HA 5.27335 -6.24670 0.62147 1FSC 35 0.00000 543 35 LEU CB 4.34986 -6.14523 2.60186 1FSC 35 0.00000 544 35 LEU HB1 3.96982 -5.30446 3.22337 1FSC 35 0.00000 545 35 LEU HB2 3.54507 -6.91554 2.58291 1FSC 35 0.00000 546 35 LEU CG 5.55275 -6.80622 3.33298 1FSC 35 0.00000 547 35 LEU HG 5.34798 -7.90478 3.34932 1FSC 35 0.00000 548 35 LEU CD1 5.61202 -6.33784 4.79598 1FSC 35 0.00000 549 35 LEU HD11 6.41984 -6.86901 5.34182 1FSC 35 0.00000 550 35 LEU HD12 5.80921 -5.24564 4.84446 1FSC 35 0.00000 551 35 LEU HD13 4.64579 -6.54891 5.30057 1FSC 35 0.00000 552 35 LEU CD2 6.92925 -6.64397 2.66286 1FSC 35 0.00000 553 35 LEU HD21 7.18935 -5.56784 2.57878 1FSC 35 0.00000 554 35 LEU HD22 7.71146 -7.14396 3.27245 1FSC 35 0.00000 555 35 LEU HD23 6.94208 -7.10052 1.65149 1FSC 35 0.00000 556 35 LEU C 3.28929 -5.62898 0.43196 1FSC 35 0.00000 557 35 LEU O 2.94181 -6.64805 -0.15799 1FSC 35 0.00000 558 36 GLY N 2.50175 -4.53424 0.44887 1FSC 36 0.00000 559 36 GLY HN 2.76066 -3.68519 0.90825 1FSC 36 0.00000 560 36 GLY CA 1.20859 -4.59029 -0.18991 1FSC 36 0.00000 561 36 GLY HA1 0.53475 -5.11768 0.46939 1FSC 36 0.00000 562 36 GLY HA2 1.31551 -5.05069 -1.16383 1FSC 36 0.00000 563 36 GLY C 0.67133 -3.21980 -0.40156 1FSC 36 0.00000 564 36 GLY O 1.05082 -2.26836 0.27772 1FSC 36 0.00000 565 37 ARG N -0.24741 -3.10726 -1.37662 1FSC 37 0.00000 566 37 ARG HN -0.54503 -3.91163 -1.89576 1FSC 37 0.00000 567 37 ARG CA -0.90568 -1.87840 -1.73035 1FSC 37 0.00000 568 37 ARG HA -0.93272 -1.21307 -0.87972 1FSC 37 0.00000 569 37 ARG CB -0.24566 -1.20496 -2.96078 1FSC 37 0.00000 570 37 ARG HB1 -0.12952 -1.96082 -3.76915 1FSC 37 0.00000 571 37 ARG HB2 -0.91138 -0.40529 -3.34463 1FSC 37 0.00000 572 37 ARG CG 1.12924 -0.56613 -2.67570 1FSC 37 0.00000 573 37 ARG HG1 1.01405 0.16159 -1.84189 1FSC 37 0.00000 574 37 ARG HG2 1.84193 -1.35450 -2.35048 1FSC 37 0.00000 575 37 ARG CD 1.69664 0.16044 -3.90291 1FSC 37 0.00000 576 37 ARG HD1 1.85610 -0.53521 -4.75441 1FSC 37 0.00000 577 37 ARG HD2 0.97594 0.94607 -4.21240 1FSC 37 0.00000 578 37 ARG NE 2.97122 0.87282 -3.55211 1FSC 37 0.00000 579 37 ARG HE 2.89126 1.81217 -3.20662 1FSC 37 0.00000 580 37 ARG CZ 4.21523 0.41686 -3.85322 1FSC 37 0.00000 581 37 ARG NH1 4.43657 -0.84557 -4.27987 1FSC 37 0.00000 582 37 ARG HH11 5.36271 -1.14535 -4.48403 1FSC 37 0.00000 583 37 ARG HH12 3.68205 -1.51287 -4.31295 1FSC 37 0.00000 584 37 ARG NH2 5.27650 1.24565 -3.71699 1FSC 37 0.00000 585 37 ARG HH21 6.18859 0.93722 -3.96568 1FSC 37 0.00000 586 37 ARG HH22 5.12957 2.21852 -3.45770 1FSC 37 0.00000 587 37 ARG C -2.32060 -2.26899 -2.07832 1FSC 37 0.00000 588 37 ARG O -2.56249 -3.40236 -2.48807 1FSC 37 0.00000 589 38 GLY N -3.30582 -1.35479 -1.93121 1FSC 38 0.00000 590 38 GLY HN -3.14565 -0.44069 -1.56374 1FSC 38 0.00000 591 38 GLY CA -4.65784 -1.67907 -2.33884 1FSC 38 0.00000 592 38 GLY HA1 -4.93663 -2.61951 -1.88322 1FSC 38 0.00000 593 38 GLY HA2 -4.68160 -1.69314 -3.41881 1FSC 38 0.00000 594 38 GLY C -5.62498 -0.63745 -1.87347 1FSC 38 0.00000 595 38 GLY O -5.24390 0.49917 -1.60249 1FSC 38 0.00000 596 39 CYS N -6.91854 -1.02951 -1.77542 1FSC 39 0.00000 597 39 CYS HN -7.18326 -1.96216 -2.00313 1FSC 39 0.00000 598 39 CYS CA -8.00969 -0.18084 -1.34315 1FSC 39 0.00000 599 39 CYS HA -7.75611 0.85332 -1.53275 1FSC 39 0.00000 600 39 CYS CB -9.36133 -0.53703 -2.01946 1FSC 39 0.00000 601 39 CYS HB1 -9.66747 -1.56331 -1.71934 1FSC 39 0.00000 602 39 CYS HB2 -10.14841 0.16338 -1.66280 1FSC 39 0.00000 603 39 CYS SG -9.31052 -0.47918 -3.82928 1FSC 39 0.00000 604 39 CYS C -8.25131 -0.36409 0.13076 1FSC 39 0.00000 605 39 CYS O -8.20361 -1.48036 0.64348 1FSC 39 0.00000 606 40 GLY N -8.54863 0.74250 0.84067 1FSC 40 0.00000 607 40 GLY HN -8.51036 1.64982 0.41106 1FSC 40 0.00000 608 40 GLY CA -8.92608 0.72202 2.23492 1FSC 40 0.00000 609 40 GLY HA1 -9.14095 -0.28922 2.55235 1FSC 40 0.00000 610 40 GLY HA2 -9.76566 1.39201 2.34451 1FSC 40 0.00000 611 40 GLY C -7.80367 1.25542 3.06273 1FSC 40 0.00000 612 40 GLY O -6.90257 1.92396 2.56262 1FSC 40 0.00000 613 41 CYS N -7.85152 0.97285 4.37955 1FSC 41 0.00000 614 41 CYS HN -8.59409 0.43314 4.76723 1FSC 41 0.00000 615 41 CYS CA -6.86900 1.46717 5.31234 1FSC 41 0.00000 616 41 CYS HA -5.91755 1.58207 4.81387 1FSC 41 0.00000 617 41 CYS CB -7.32167 2.83829 5.89005 1FSC 41 0.00000 618 41 CYS HB1 -7.52765 3.50974 5.03083 1FSC 41 0.00000 619 41 CYS HB2 -8.28134 2.71437 6.43659 1FSC 41 0.00000 620 41 CYS SG -6.09950 3.65454 6.96212 1FSC 41 0.00000 621 41 CYS C -6.72579 0.44591 6.42420 1FSC 41 0.00000 622 41 CYS O -7.31727 0.63706 7.48643 1FSC 41 0.00000 623 42 PRO N -5.99327 -0.65775 6.26058 1FSC 42 0.00000 624 42 PRO CD -5.30864 -1.03129 5.02481 1FSC 42 0.00000 625 42 PRO HD1 -6.06791 -1.27710 4.25073 1FSC 42 0.00000 626 42 PRO HD2 -4.65348 -0.20554 4.68059 1FSC 42 0.00000 627 42 PRO CA -5.87723 -1.68298 7.28730 1FSC 42 0.00000 628 42 PRO HA -6.85748 -1.88011 7.69721 1FSC 42 0.00000 629 42 PRO CB -5.28338 -2.88575 6.52860 1FSC 42 0.00000 630 42 PRO HB1 -6.11978 -3.48218 6.10064 1FSC 42 0.00000 631 42 PRO HB2 -4.66479 -3.54500 7.17014 1FSC 42 0.00000 632 42 PRO CG -4.48296 -2.26732 5.38036 1FSC 42 0.00000 633 42 PRO HG1 -4.35958 -2.95470 4.52039 1FSC 42 0.00000 634 42 PRO HG2 -3.48406 -1.95049 5.75313 1FSC 42 0.00000 635 42 PRO C -4.94565 -1.21141 8.39214 1FSC 42 0.00000 636 42 PRO O -4.18688 -0.27490 8.14678 1FSC 42 0.00000 637 43 PRO N -4.96011 -1.77731 9.59058 1FSC 43 0.00000 638 43 PRO CD -5.93773 -2.77521 10.02454 1FSC 43 0.00000 639 43 PRO HD1 -6.94114 -2.29764 10.06982 1FSC 43 0.00000 640 43 PRO HD2 -5.95146 -3.64903 9.33835 1FSC 43 0.00000 641 43 PRO CA -4.14835 -1.28283 10.68869 1FSC 43 0.00000 642 43 PRO HA -4.17499 -0.20173 10.70917 1FSC 43 0.00000 643 43 PRO CB -4.79378 -1.90847 11.93720 1FSC 43 0.00000 644 43 PRO HB1 -5.57503 -1.21486 12.32030 1FSC 43 0.00000 645 43 PRO HB2 -4.06926 -2.11475 12.75121 1FSC 43 0.00000 646 43 PRO CG -5.47636 -3.18073 11.42343 1FSC 43 0.00000 647 43 PRO HG1 -6.31092 -3.51039 12.07298 1FSC 43 0.00000 648 43 PRO HG2 -4.72189 -3.99451 11.34186 1FSC 43 0.00000 649 43 PRO C -2.71220 -1.72991 10.54281 1FSC 43 0.00000 650 43 PRO O -2.45291 -2.81461 10.02172 1FSC 43 0.00000 651 44 GLY N -1.77000 -0.89386 11.02924 1FSC 44 0.00000 652 44 GLY HN -2.02922 -0.02064 11.43208 1FSC 44 0.00000 653 44 GLY CA -0.37071 -1.23815 11.12646 1FSC 44 0.00000 654 44 GLY HA1 0.20070 -0.33698 10.96068 1FSC 44 0.00000 655 44 GLY HA2 -0.13109 -2.03615 10.43701 1FSC 44 0.00000 656 44 GLY C -0.10844 -1.71435 12.52061 1FSC 44 0.00000 657 44 GLY O -1.01231 -1.77347 13.35334 1FSC 44 0.00000 658 45 ASP N 1.15683 -2.06534 12.80687 1FSC 45 0.00000 659 45 ASP HN 1.89402 -1.95999 12.13744 1FSC 45 0.00000 660 45 ASP CA 1.53664 -2.56320 14.10257 1FSC 45 0.00000 661 45 ASP HA 0.98765 -2.01085 14.85368 1FSC 45 0.00000 662 45 ASP CB 1.21654 -4.08487 14.28835 1FSC 45 0.00000 663 45 ASP HB1 1.55601 -4.45052 15.27739 1FSC 45 0.00000 664 45 ASP HB2 0.11007 -4.19907 14.26834 1FSC 45 0.00000 665 45 ASP CG 1.78454 -4.99722 13.19491 1FSC 45 0.00000 666 45 ASP OD1 2.95498 -4.79291 12.77736 1FSC 45 0.00000 667 45 ASP OD2 1.05272 -5.93316 12.78069 1FSC 45 0.00000 668 45 ASP C 2.99374 -2.22221 14.32501 1FSC 45 0.00000 669 45 ASP O 3.52858 -1.25577 13.78121 1FSC 45 0.00000 670 46 ASP N 3.67925 -3.02863 15.15712 1FSC 46 0.00000 671 46 ASP HN 3.21894 -3.79057 15.60956 1FSC 46 0.00000 672 46 ASP CA 5.06499 -2.88495 15.52678 1FSC 46 0.00000 673 46 ASP HA 5.22036 -1.87949 15.88504 1FSC 46 0.00000 674 46 ASP CB 5.40671 -3.87979 16.65567 1FSC 46 0.00000 675 46 ASP HB1 5.24039 -4.92417 16.31619 1FSC 46 0.00000 676 46 ASP HB2 6.45988 -3.76681 16.98676 1FSC 46 0.00000 677 46 ASP CG 4.48178 -3.58189 17.83096 1FSC 46 0.00000 678 46 ASP OD1 4.72183 -2.55756 18.52185 1FSC 46 0.00000 679 46 ASP OD2 3.50451 -4.35313 18.01840 1FSC 46 0.00000 680 46 ASP C 5.99070 -3.11965 14.35416 1FSC 46 0.00000 681 46 ASP O 7.04963 -2.50277 14.25555 1FSC 46 0.00000 682 47 ASN N 5.59041 -4.00995 13.42398 1FSC 47 0.00000 683 47 ASN HN 4.67557 -4.42601 13.47119 1FSC 47 0.00000 684 47 ASN CA 6.41149 -4.43983 12.31916 1FSC 47 0.00000 685 47 ASN HA 7.44553 -4.18493 12.51108 1FSC 47 0.00000 686 47 ASN CB 6.29735 -5.96615 12.09161 1FSC 47 0.00000 687 47 ASN HB1 5.25930 -6.23091 11.79614 1FSC 47 0.00000 688 47 ASN HB2 6.99252 -6.28975 11.28865 1FSC 47 0.00000 689 47 ASN CG 6.67644 -6.69288 13.38608 1FSC 47 0.00000 690 47 ASN OD1 7.79246 -6.55526 13.89481 1FSC 47 0.00000 691 47 ASN ND2 5.71429 -7.47976 13.94213 1FSC 47 0.00000 692 47 ASN HD21 5.91811 -7.96093 14.79250 1FSC 47 0.00000 693 47 ASN HD22 4.80685 -7.52896 13.52646 1FSC 47 0.00000 694 47 ASN C 5.99827 -3.74111 11.04910 1FSC 47 0.00000 695 47 ASN O 6.82118 -3.58585 10.15122 1FSC 47 0.00000 696 48 LEU N 4.71353 -3.32839 10.93052 1FSC 48 0.00000 697 48 LEU HN 4.05518 -3.50611 11.66614 1FSC 48 0.00000 698 48 LEU CA 4.15580 -2.81086 9.69705 1FSC 48 0.00000 699 48 LEU HA 4.91017 -2.82148 8.92537 1FSC 48 0.00000 700 48 LEU CB 2.95646 -3.67351 9.23304 1FSC 48 0.00000 701 48 LEU HB1 2.15428 -3.61590 10.00353 1FSC 48 0.00000 702 48 LEU HB2 2.54821 -3.27380 8.27947 1FSC 48 0.00000 703 48 LEU CG 3.31269 -5.16674 9.03330 1FSC 48 0.00000 704 48 LEU HG 3.76504 -5.54336 9.98099 1FSC 48 0.00000 705 48 LEU CD1 4.34093 -5.37378 7.90780 1FSC 48 0.00000 706 48 LEU HD11 3.95305 -4.95790 6.95397 1FSC 48 0.00000 707 48 LEU HD12 5.30142 -4.87365 8.14841 1FSC 48 0.00000 708 48 LEU HD13 4.54113 -6.45731 7.76949 1FSC 48 0.00000 709 48 LEU CD2 2.05271 -6.01619 8.79534 1FSC 48 0.00000 710 48 LEU HD21 2.32183 -7.09064 8.71727 1FSC 48 0.00000 711 48 LEU HD22 1.34289 -5.89248 9.64193 1FSC 48 0.00000 712 48 LEU HD23 1.55015 -5.70618 7.85754 1FSC 48 0.00000 713 48 LEU C 3.68131 -1.38162 9.84678 1FSC 48 0.00000 714 48 LEU O 2.96838 -1.04459 10.78727 1FSC 48 0.00000 715 49 GLU N 4.05148 -0.50679 8.88063 1FSC 49 0.00000 716 49 GLU HN 4.63103 -0.81482 8.12213 1FSC 49 0.00000 717 49 GLU CA 3.52039 0.83427 8.73846 1FSC 49 0.00000 718 49 GLU HA 3.07081 1.16063 9.66633 1FSC 49 0.00000 719 49 GLU CB 4.57145 1.87402 8.25330 1FSC 49 0.00000 720 49 GLU HB1 5.39993 1.91251 8.99228 1FSC 49 0.00000 721 49 GLU HB2 5.00399 1.52878 7.28782 1FSC 49 0.00000 722 49 GLU CG 4.00668 3.30614 8.07530 1FSC 49 0.00000 723 49 GLU HG1 3.11225 3.30710 7.41852 1FSC 49 0.00000 724 49 GLU HG2 3.70968 3.70749 9.06722 1FSC 49 0.00000 725 49 GLU CD 5.02591 4.25305 7.44049 1FSC 49 0.00000 726 49 GLU OE1 5.24221 4.15319 6.20030 1FSC 49 0.00000 727 49 GLU OE2 5.57647 5.10374 8.18708 1FSC 49 0.00000 728 49 GLU C 2.47067 0.75456 7.66559 1FSC 49 0.00000 729 49 GLU O 2.72495 0.19349 6.60240 1FSC 49 0.00000 730 50 VAL N 1.26809 1.32401 7.90786 1FSC 50 0.00000 731 50 VAL HN 1.05420 1.75446 8.78066 1FSC 50 0.00000 732 50 VAL CA 0.25718 1.44386 6.88157 1FSC 50 0.00000 733 50 VAL HA 0.63854 1.06697 5.94448 1FSC 50 0.00000 734 50 VAL CB -1.03035 0.68844 7.17407 1FSC 50 0.00000 735 50 VAL HB -1.51301 1.08024 8.09778 1FSC 50 0.00000 736 50 VAL CG1 -1.99421 0.85603 5.98151 1FSC 50 0.00000 737 50 VAL HG11 -2.90574 0.24821 6.14044 1FSC 50 0.00000 738 50 VAL HG12 -2.30889 1.91173 5.85681 1FSC 50 0.00000 739 50 VAL HG13 -1.50574 0.51544 5.04408 1FSC 50 0.00000 740 50 VAL CG2 -0.70085 -0.80392 7.38396 1FSC 50 0.00000 741 50 VAL HG21 -1.63403 -1.37503 7.57715 1FSC 50 0.00000 742 50 VAL HG22 -0.21348 -1.21688 6.47732 1FSC 50 0.00000 743 50 VAL HG23 -0.02190 -0.94817 8.24833 1FSC 50 0.00000 744 50 VAL C -0.02520 2.91373 6.69645 1FSC 50 0.00000 745 50 VAL O -0.55717 3.58056 7.58203 1FSC 50 0.00000 746 51 LYS N 0.32678 3.44292 5.50393 1FSC 51 0.00000 747 51 LYS HN 0.76887 2.86685 4.81457 1FSC 51 0.00000 748 51 LYS CA 0.00112 4.78365 5.07330 1FSC 51 0.00000 749 51 LYS HA -0.06247 5.44857 5.92401 1FSC 51 0.00000 750 51 LYS CB 1.02651 5.29470 4.03019 1FSC 51 0.00000 751 51 LYS HB1 2.03663 5.31103 4.49574 1FSC 51 0.00000 752 51 LYS HB2 1.06637 4.55501 3.19942 1FSC 51 0.00000 753 51 LYS CG 0.73836 6.68073 3.42139 1FSC 51 0.00000 754 51 LYS HG1 -0.35041 6.82704 3.25638 1FSC 51 0.00000 755 51 LYS HG2 1.07964 7.46704 4.12941 1FSC 51 0.00000 756 51 LYS CD 1.41691 6.85755 2.05397 1FSC 51 0.00000 757 51 LYS HD1 2.50782 6.68642 2.18634 1FSC 51 0.00000 758 51 LYS HD2 1.02732 6.07761 1.36120 1FSC 51 0.00000 759 51 LYS CE 1.19195 8.24525 1.44506 1FSC 51 0.00000 760 51 LYS HE1 0.11037 8.43810 1.28423 1FSC 51 0.00000 761 51 LYS HE2 1.60649 9.02572 2.11913 1FSC 51 0.00000 762 51 LYS NZ 1.87841 8.36420 0.13860 1FSC 51 0.00000 763 51 LYS HZ1 1.95133 9.36598 -0.12905 1FSC 51 0.00000 764 51 LYS HZ2 2.83022 7.95237 0.19415 1FSC 51 0.00000 765 51 LYS HZ3 1.33732 7.86738 -0.60857 1FSC 51 0.00000 766 51 LYS C -1.32991 4.69518 4.37882 1FSC 51 0.00000 767 51 LYS O -1.53760 3.77626 3.59202 1FSC 51 0.00000 768 52 CYS N -2.25459 5.64734 4.64138 1FSC 52 0.00000 769 52 CYS HN -2.08109 6.38328 5.29113 1FSC 52 0.00000 770 52 CYS CA -3.53546 5.69697 3.97131 1FSC 52 0.00000 771 52 CYS HA -3.55410 4.97875 3.16677 1FSC 52 0.00000 772 52 CYS CB -4.71265 5.41023 4.92740 1FSC 52 0.00000 773 52 CYS HB1 -4.77461 6.21180 5.69553 1FSC 52 0.00000 774 52 CYS HB2 -5.66490 5.40299 4.35496 1FSC 52 0.00000 775 52 CYS SG -4.48306 3.81196 5.76109 1FSC 52 0.00000 776 52 CYS C -3.68945 7.07179 3.37607 1FSC 52 0.00000 777 52 CYS O -3.31092 8.06227 3.99846 1FSC 52 0.00000 778 53 CYS N -4.22617 7.16791 2.13817 1FSC 53 0.00000 779 53 CYS HN -4.52054 6.35696 1.62881 1FSC 53 0.00000 780 53 CYS CA -4.33064 8.43951 1.45192 1FSC 53 0.00000 781 53 CYS HA -4.52256 9.21741 2.17918 1FSC 53 0.00000 782 53 CYS CB -3.04126 8.78130 0.65990 1FSC 53 0.00000 783 53 CYS HB1 -3.15496 9.76422 0.15308 1FSC 53 0.00000 784 53 CYS HB2 -2.21602 8.88921 1.39681 1FSC 53 0.00000 785 53 CYS SG -2.57831 7.49291 -0.54119 1FSC 53 0.00000 786 53 CYS C -5.50634 8.41343 0.50995 1FSC 53 0.00000 787 53 CYS O -5.88671 7.36154 0.00657 1FSC 53 0.00000 788 54 THR N -6.11888 9.58759 0.25373 1FSC 54 0.00000 789 54 THR HN -5.84069 10.43425 0.70152 1FSC 54 0.00000 790 54 THR CA -7.29642 9.70928 -0.58594 1FSC 54 0.00000 791 54 THR HA -7.62727 8.73244 -0.91011 1FSC 54 0.00000 792 54 THR CB -8.45502 10.38776 0.13161 1FSC 54 0.00000 793 54 THR HB -9.28158 10.61626 -0.58114 1FSC 54 0.00000 794 54 THR OG1 -8.03781 11.59254 0.76652 1FSC 54 0.00000 795 54 THR HG1 -8.83953 12.02870 1.06629 1FSC 54 0.00000 796 54 THR CG2 -8.99568 9.42690 1.20575 1FSC 54 0.00000 797 54 THR HG21 -9.85850 9.88421 1.73487 1FSC 54 0.00000 798 54 THR HG22 -9.33987 8.48216 0.73466 1FSC 54 0.00000 799 54 THR HG23 -8.21212 9.18773 1.95492 1FSC 54 0.00000 800 54 THR C -6.99364 10.49779 -1.83348 1FSC 54 0.00000 801 54 THR O -7.77596 10.47431 -2.77954 1FSC 54 0.00000 802 55 SER N -5.86942 11.23404 -1.87769 1FSC 55 0.00000 803 55 SER HN -5.21223 11.27256 -1.12997 1FSC 55 0.00000 804 55 SER CA -5.58417 12.08921 -3.00207 1FSC 55 0.00000 805 55 SER HA -5.89066 11.57532 -3.89890 1FSC 55 0.00000 806 55 SER CB -6.32262 13.45491 -2.93518 1FSC 55 0.00000 807 55 SER HB1 -5.93271 14.15327 -3.70632 1FSC 55 0.00000 808 55 SER HB2 -7.40103 13.27707 -3.14202 1FSC 55 0.00000 809 55 SER OG -6.22200 14.05228 -1.64515 1FSC 55 0.00000 810 55 SER HG1 -6.74348 14.85897 -1.66897 1FSC 55 0.00000 811 55 SER C -4.08690 12.28056 -3.04343 1FSC 55 0.00000 812 55 SER O -3.44848 12.19647 -1.99264 1FSC 55 0.00000 813 56 PRO N -3.46033 12.51435 -4.19917 1FSC 56 0.00000 814 56 PRO CD -2.01764 12.77162 -4.21311 1FSC 56 0.00000 815 56 PRO HD1 -1.84701 13.81748 -3.87675 1FSC 56 0.00000 816 56 PRO HD2 -1.46936 12.06642 -3.55165 1FSC 56 0.00000 817 56 PRO CA -4.01519 12.42580 -5.55257 1FSC 56 0.00000 818 56 PRO HA -4.93467 12.98740 -5.62728 1FSC 56 0.00000 819 56 PRO CB -2.87681 13.00139 -6.41628 1FSC 56 0.00000 820 56 PRO HB1 -2.95590 14.11161 -6.41388 1FSC 56 0.00000 821 56 PRO HB2 -2.87859 12.65107 -7.46695 1FSC 56 0.00000 822 56 PRO CG -1.60119 12.60093 -5.67229 1FSC 56 0.00000 823 56 PRO HG1 -0.73049 13.22924 -5.94562 1FSC 56 0.00000 824 56 PRO HG2 -1.37028 11.53150 -5.87572 1FSC 56 0.00000 825 56 PRO C -4.29208 10.98317 -5.93641 1FSC 56 0.00000 826 56 PRO O -4.21121 10.09250 -5.09375 1FSC 56 0.00000 827 57 ASP N -4.59853 10.70600 -7.22217 1FSC 57 0.00000 828 57 ASP HN -4.72108 11.41920 -7.90583 1FSC 57 0.00000 829 57 ASP CA -4.63776 9.34693 -7.71442 1FSC 57 0.00000 830 57 ASP HA -5.24776 8.75234 -7.04634 1FSC 57 0.00000 831 57 ASP CB -5.17297 9.25192 -9.16366 1FSC 57 0.00000 832 57 ASP HB1 -4.67714 10.01076 -9.80448 1FSC 57 0.00000 833 57 ASP HB2 -4.96219 8.25031 -9.59062 1FSC 57 0.00000 834 57 ASP CG -6.68346 9.46315 -9.20683 1FSC 57 0.00000 835 57 ASP OD1 -7.38307 8.99223 -8.27022 1FSC 57 0.00000 836 57 ASP OD2 -7.15759 10.06451 -10.20419 1FSC 57 0.00000 837 57 ASP C -3.23925 8.77165 -7.69293 1FSC 57 0.00000 838 57 ASP O -2.26466 9.48383 -7.93259 1FSC 57 0.00000 839 58 LYS N -3.13735 7.46304 -7.35589 1FSC 58 0.00000 840 58 LYS HN -3.97163 6.93170 -7.18066 1FSC 58 0.00000 841 58 LYS CA -1.90726 6.70474 -7.25066 1FSC 58 0.00000 842 58 LYS HA -2.19539 5.68319 -7.04917 1FSC 58 0.00000 843 58 LYS CB -1.06659 6.72605 -8.55154 1FSC 58 0.00000 844 58 LYS HB1 -0.73096 7.77129 -8.73336 1FSC 58 0.00000 845 58 LYS HB2 -0.15066 6.11534 -8.43160 1FSC 58 0.00000 846 58 LYS CG -1.81617 6.23917 -9.80026 1FSC 58 0.00000 847 58 LYS HG1 -1.79967 5.12924 -9.83926 1FSC 58 0.00000 848 58 LYS HG2 -2.87877 6.56466 -9.74666 1FSC 58 0.00000 849 58 LYS CD -1.21151 6.83866 -11.07745 1FSC 58 0.00000 850 58 LYS HD1 -1.13338 7.93823 -10.90513 1FSC 58 0.00000 851 58 LYS HD2 -0.18381 6.44385 -11.23134 1FSC 58 0.00000 852 58 LYS CE -2.07193 6.59269 -12.31935 1FSC 58 0.00000 853 58 LYS HE1 -1.94289 5.55621 -12.69513 1FSC 58 0.00000 854 58 LYS HE2 -3.14473 6.76444 -12.08130 1FSC 58 0.00000 855 58 LYS NZ -1.70464 7.54016 -13.39656 1FSC 58 0.00000 856 58 LYS HZ1 -2.29477 7.36579 -14.23509 1FSC 58 0.00000 857 58 LYS HZ2 -1.85380 8.51509 -13.06586 1FSC 58 0.00000 858 58 LYS HZ3 -0.70300 7.41037 -13.64496 1FSC 58 0.00000 859 58 LYS C -1.06144 7.16836 -6.08391 1FSC 58 0.00000 860 58 LYS O 0.16364 7.06487 -6.11122 1FSC 58 0.00000 861 59 CYS N -1.70424 7.68513 -5.00830 1FSC 59 0.00000 862 59 CYS HN -2.69872 7.76653 -4.99986 1FSC 59 0.00000 863 59 CYS CA -1.01635 8.29037 -3.88419 1FSC 59 0.00000 864 59 CYS HA -0.26390 8.95719 -4.28287 1FSC 59 0.00000 865 59 CYS CB -1.96972 9.12544 -2.99190 1FSC 59 0.00000 866 59 CYS HB1 -1.39167 9.61784 -2.17994 1FSC 59 0.00000 867 59 CYS HB2 -2.37752 9.94186 -3.61800 1FSC 59 0.00000 868 59 CYS SG -3.35993 8.18427 -2.28444 1FSC 59 0.00000 869 59 CYS C -0.30992 7.28710 -3.00746 1FSC 59 0.00000 870 59 CYS O 0.57004 7.65168 -2.22962 1FSC 59 0.00000 871 60 ASN N -0.67952 5.99009 -3.10867 1FSC 60 0.00000 872 60 ASN HN -1.37106 5.70472 -3.76992 1FSC 60 0.00000 873 60 ASN CA -0.11959 4.92821 -2.30237 1FSC 60 0.00000 874 60 ASN HA 0.14730 5.33827 -1.33787 1FSC 60 0.00000 875 60 ASN CB -1.10910 3.77070 -2.05005 1FSC 60 0.00000 876 60 ASN HB1 -0.62274 3.01605 -1.39679 1FSC 60 0.00000 877 60 ASN HB2 -1.97135 4.17256 -1.48496 1FSC 60 0.00000 878 60 ASN CG -1.62297 3.06889 -3.32119 1FSC 60 0.00000 879 60 ASN OD1 -1.60072 3.57712 -4.44589 1FSC 60 0.00000 880 60 ASN ND2 -2.13621 1.82888 -3.09378 1FSC 60 0.00000 881 60 ASN HD21 -2.48644 1.27823 -3.85671 1FSC 60 0.00000 882 60 ASN HD22 -2.10890 1.45425 -2.16407 1FSC 60 0.00000 883 60 ASN C 1.13302 4.35435 -2.90087 1FSC 60 0.00000 884 60 ASN O 1.54024 3.24031 -2.57372 1FSC 60 0.00000 885 61 TYR N 1.79222 5.12234 -3.77797 1FSC 61 0.00000 886 61 TYR HN 1.44041 6.01261 -4.05448 1FSC 61 0.00000 887 61 TYR CA 3.07740 4.77022 -4.29320 1FSC 61 0.00000 888 61 TYR HA 2.99758 3.76032 -4.67394 1FSC 61 0.00000 889 61 TYR CB 3.46768 5.73259 -5.43676 1FSC 61 0.00000 890 61 TYR HB1 2.62665 5.83603 -6.15258 1FSC 61 0.00000 891 61 TYR HB2 3.72165 6.73771 -5.03671 1FSC 61 0.00000 892 61 TYR CG 4.63519 5.16138 -6.17920 1FSC 61 0.00000 893 61 TYR CD1 4.51105 3.94587 -6.87511 1FSC 61 0.00000 894 61 TYR HD1 3.55863 3.44289 -6.92419 1FSC 61 0.00000 895 61 TYR CE1 5.63161 3.34291 -7.45487 1FSC 61 0.00000 896 61 TYR HE1 5.53136 2.39813 -7.96892 1FSC 61 0.00000 897 61 TYR CZ 6.88604 3.95311 -7.34324 1FSC 61 0.00000 898 61 TYR OH 8.02058 3.32134 -7.89110 1FSC 61 0.00000 899 61 TYR HH 8.78034 3.88229 -7.72220 1FSC 61 0.00000 900 61 TYR CD2 5.89171 5.77780 -6.09442 1FSC 61 0.00000 901 61 TYR HD2 6.00177 6.69945 -5.54160 1FSC 61 0.00000 902 61 TYR CE2 7.01606 5.17560 -6.67101 1FSC 61 0.00000 903 61 TYR HE2 7.98176 5.65006 -6.57760 1FSC 61 0.00000 904 61 TYR C 4.12265 4.78545 -3.14558 1FSC 61 0.00000 905 61 TYR OT1 4.92671 3.81843 -3.08943 1FSC 61 0.00000 906 61 TYR OT2 4.09879 5.71402 -2.29137 1FSC 61 0.00000 907 62 TIP3 OH2 -3.29285 -7.06832 -28.66564 W3 49 0.00000 908 62 TIP3 H1 -2.98251 -7.66385 -29.34773 W3 49 0.00000 909 62 TIP3 H2 -4.20079 -6.88196 -28.90467 W3 49 0.00000 910 63 TIP3 OH2 -7.13192 -4.32165 -27.53041 W3 77 0.00000 911 63 TIP3 H1 -6.58376 -3.54917 -27.39253 W3 77 0.00000 912 63 TIP3 H2 -7.21431 -4.71559 -26.66194 W3 77 0.00000 913 64 TIP3 OH2 -2.57257 -8.85117 -30.96119 W3 93 0.00000 914 64 TIP3 H1 -2.97456 -8.16363 -31.49216 W3 93 0.00000 915 64 TIP3 H2 -1.67126 -8.55688 -30.82985 W3 93 0.00000 916 65 TIP3 OH2 -5.87678 -3.75009 -30.83635 W3 103 0.00000 917 65 TIP3 H1 -5.76242 -3.58976 -31.77307 W3 103 0.00000 918 65 TIP3 H2 -5.49402 -2.98172 -30.41287 W3 103 0.00000 919 66 TIP3 OH2 -2.42575 -1.31575 -31.16492 W3 123 0.00000 920 66 TIP3 H1 -2.31757 -0.37356 -31.03537 W3 123 0.00000 921 66 TIP3 H2 -1.96334 -1.71405 -30.42752 W3 123 0.00000 922 67 TIP3 OH2 -8.20852 -6.01627 -32.40020 W3 129 0.00000 923 67 TIP3 H1 -8.31901 -6.63241 -33.12435 W3 129 0.00000 924 67 TIP3 H2 -8.17646 -6.56786 -31.61857 W3 129 0.00000 925 68 TIP3 OH2 -0.98487 -1.94010 -28.84428 W3 159 0.00000 926 68 TIP3 H1 -1.68666 -2.43572 -28.42229 W3 159 0.00000 927 68 TIP3 H2 -0.48668 -1.56413 -28.11855 W3 159 0.00000 928 69 TIP3 OH2 -3.07966 -4.03107 -28.45005 W3 160 0.00000 929 69 TIP3 H1 -2.91171 -4.11158 -29.38895 W3 160 0.00000 930 69 TIP3 H2 -3.03423 -4.92852 -28.12029 W3 160 0.00000 931 70 TIP3 OH2 -5.80113 -9.41346 -30.74368 W3 161 0.00000 932 70 TIP3 H1 -6.60620 -9.45767 -31.25955 W3 161 0.00000 933 70 TIP3 H2 -6.10049 -9.33108 -29.83824 W3 161 0.00000 934 71 TIP3 OH2 -2.89302 -4.47362 -31.27054 W3 165 0.00000 935 71 TIP3 H1 -3.85007 -4.45805 -31.27692 W3 165 0.00000 936 71 TIP3 H2 -2.64190 -4.14513 -32.13382 W3 165 0.00000 937 72 TIP3 OH2 -8.43981 -2.45077 -31.04395 W3 189 0.00000 938 72 TIP3 H1 -7.61757 -2.93819 -31.09456 W3 189 0.00000 939 72 TIP3 H2 -8.89713 -2.82892 -30.29289 W3 189 0.00000 940 73 TIP3 OH2 -4.89837 -1.25681 -29.70571 W3 195 0.00000 941 73 TIP3 H1 -5.18453 -0.44528 -29.28649 W3 195 0.00000 942 73 TIP3 H2 -4.07940 -1.02491 -30.14357 W3 195 0.00000 943 74 TIP3 OH2 -5.72071 -5.99144 -29.23008 W3 216 0.00000 944 74 TIP3 H1 -5.83323 -5.50835 -30.04874 W3 216 0.00000 945 74 TIP3 H2 -6.22336 -5.49265 -28.58605 W3 216 0.00000 946 75 TIP3 OH2 -6.41271 -9.50109 -28.13892 W4 46 0.00000 947 75 TIP3 H1 -6.79051 -9.01322 -27.40717 W4 46 0.00000 948 75 TIP3 H2 -5.66981 -9.96884 -27.75743 W4 46 0.00000 949 76 TIP3 OH2 -10.82353 -6.59327 -29.15557 W4 53 0.00000 950 76 TIP3 H1 -10.01168 -6.90065 -29.55885 W4 53 0.00000 951 76 TIP3 H2 -11.34286 -7.38691 -29.02651 W4 53 0.00000 952 77 TIP3 OH2 -9.00259 -10.62729 -27.92128 W4 94 0.00000 953 77 TIP3 H1 -9.18202 -11.25945 -28.61727 W4 94 0.00000 954 77 TIP3 H2 -8.15823 -10.24334 -28.15764 W4 94 0.00000 955 78 TIP3 OH2 -7.23792 -8.30279 -25.67970 W4 104 0.00000 956 78 TIP3 H1 -6.84418 -8.06679 -24.83975 W4 104 0.00000 957 78 TIP3 H2 -8.11240 -7.91450 -25.65236 W4 104 0.00000 958 79 TIP3 OH2 -11.24246 -5.43735 -32.80416 W4 128 0.00000 959 79 TIP3 H1 -11.67560 -5.85773 -33.54707 W4 128 0.00000 960 79 TIP3 H2 -10.40308 -5.89100 -32.72763 W4 128 0.00000 961 80 TIP3 OH2 -8.26780 -7.24999 -29.77871 W4 130 0.00000 962 80 TIP3 H1 -8.11607 -8.17578 -29.96877 W4 130 0.00000 963 80 TIP3 H2 -7.47838 -6.96726 -29.31708 W4 130 0.00000 964 81 TIP3 OH2 -4.63200 -11.69946 -31.79178 W4 141 0.00000 965 81 TIP3 H1 -4.13075 -11.34914 -32.52815 W4 141 0.00000 966 81 TIP3 H2 -4.77157 -10.94699 -31.21686 W4 141 0.00000 967 82 TIP3 OH2 -14.77612 -4.01497 -32.04440 W4 155 0.00000 968 82 TIP3 H1 -14.30259 -4.31664 -31.26916 W4 155 0.00000 969 82 TIP3 H2 -14.76073 -3.06016 -31.97856 W4 155 0.00000 970 83 TIP3 OH2 -4.95219 -14.31740 -31.09883 W4 166 0.00000 971 83 TIP3 H1 -4.93965 -13.42656 -31.44879 W4 166 0.00000 972 83 TIP3 H2 -5.65123 -14.30858 -30.44500 W4 166 0.00000 973 84 TIP3 OH2 -12.80791 -10.41180 -26.14920 W4 184 0.00000 974 84 TIP3 H1 -11.85173 -10.45570 -26.14890 W4 184 0.00000 975 84 TIP3 H2 -13.06108 -10.68703 -25.26808 W4 184 0.00000 976 85 TIP3 OH2 -12.91815 -5.57657 -30.71508 W4 210 0.00000 977 85 TIP3 H1 -12.34427 -5.50197 -29.95264 W4 210 0.00000 978 85 TIP3 H2 -12.39362 -5.24452 -31.44367 W4 210 0.00000 979 86 TIP3 OH2 -10.08593 -9.89028 -25.64072 W4 211 0.00000 980 86 TIP3 H1 -9.58950 -9.94735 -26.45712 W4 211 0.00000 981 86 TIP3 H2 -9.97578 -8.98313 -25.35577 W4 211 0.00000 982 87 TIP3 OH2 2.99250 18.07303 -22.38029 W6 49 0.00000 983 87 TIP3 H1 3.30284 17.47750 -23.06238 W6 49 0.00000 984 87 TIP3 H2 2.08455 18.25938 -22.61933 W6 49 0.00000 985 88 TIP3 OH2 -0.84658 20.81969 -21.24507 W6 77 0.00000 986 88 TIP3 H1 -0.29841 21.59218 -21.10718 W6 77 0.00000 987 88 TIP3 H2 -0.92896 20.42576 -20.37659 W6 77 0.00000 988 89 TIP3 OH2 3.71277 16.29017 -24.67585 W6 93 0.00000 989 89 TIP3 H1 3.31079 16.97772 -25.20681 W6 93 0.00000 990 89 TIP3 H2 4.61409 16.58447 -24.54450 W6 93 0.00000 991 90 TIP3 OH2 0.40856 21.39125 -24.55101 W6 103 0.00000 992 90 TIP3 H1 0.52293 21.55159 -25.48772 W6 103 0.00000 993 90 TIP3 H2 0.79132 22.15962 -24.12753 W6 103 0.00000 994 91 TIP3 OH2 3.85959 23.82559 -24.87958 W6 123 0.00000 995 91 TIP3 H1 3.96778 24.76779 -24.75002 W6 123 0.00000 996 91 TIP3 H2 4.32200 23.42729 -24.14218 W6 123 0.00000 997 92 TIP3 OH2 -1.92317 19.12508 -26.11485 W6 129 0.00000 998 92 TIP3 H1 -2.03367 18.50893 -26.83901 W6 129 0.00000 999 92 TIP3 H2 -1.89112 18.57348 -25.33323 W6 129 0.00000 1000 93 TIP3 OH2 5.30048 23.20125 -22.55893 W6 159 0.00000 1001 93 TIP3 H1 4.59868 22.70562 -22.13695 W6 159 0.00000 1002 93 TIP3 H2 5.79866 23.57721 -21.83321 W6 159 0.00000 1003 94 TIP3 OH2 3.20569 21.11028 -22.16470 W6 160 0.00000 1004 94 TIP3 H1 3.37364 21.02977 -23.10360 W6 160 0.00000 1005 94 TIP3 H2 3.25111 20.21282 -21.83495 W6 160 0.00000 1006 95 TIP3 OH2 0.48422 15.72789 -24.45833 W6 161 0.00000 1007 95 TIP3 H1 -0.32085 15.68368 -24.97420 W6 161 0.00000 1008 95 TIP3 H2 0.18485 15.81026 -23.55290 W6 161 0.00000 1009 96 TIP3 OH2 3.39232 20.66772 -24.98520 W6 165 0.00000 1010 96 TIP3 H1 2.43528 20.68330 -24.99157 W6 165 0.00000 1011 96 TIP3 H2 3.64345 20.99622 -25.84847 W6 165 0.00000 1012 97 TIP3 OH2 -2.15446 22.69058 -24.75860 W6 189 0.00000 1013 97 TIP3 H1 -1.33223 22.20315 -24.80922 W6 189 0.00000 1014 97 TIP3 H2 -2.61178 22.31243 -24.00754 W6 189 0.00000 1015 98 TIP3 OH2 1.38697 23.88453 -23.42037 W6 195 0.00000 1016 98 TIP3 H1 1.10082 24.69607 -23.00114 W6 195 0.00000 1017 98 TIP3 H2 2.20595 24.11644 -23.85822 W6 195 0.00000 1018 99 TIP3 OH2 0.56463 19.14990 -22.94474 W6 216 0.00000 1019 99 TIP3 H1 0.45212 19.63300 -23.76339 W6 216 0.00000 1020 99 TIP3 H2 0.06198 19.64869 -22.30071 W6 216 0.00000 1021 100 TIP3 OH2 -6.28864 10.63303 -27.02485 W7 1 0.00000 1022 100 TIP3 H1 -6.45565 11.32073 -26.38033 W7 1 0.00000 1023 100 TIP3 H2 -6.18364 11.10091 -27.85327 W7 1 0.00000 1024 101 TIP3 OH2 -9.03079 8.21282 -27.09311 W7 2 0.00000 1025 101 TIP3 H1 -9.31081 7.32468 -27.31454 W7 2 0.00000 1026 101 TIP3 H2 -8.57609 8.52331 -27.87610 W7 2 0.00000 1027 102 TIP3 OH2 -6.40746 10.06917 -23.22923 W7 4 0.00000 1028 102 TIP3 H1 -6.76152 9.43544 -23.85313 W7 4 0.00000 1029 102 TIP3 H2 -7.07624 10.13414 -22.54752 W7 4 0.00000 1030 103 TIP3 OH2 -14.94289 13.07301 -28.81321 W7 5 0.00000 1031 103 TIP3 H1 -14.67551 12.90792 -29.71735 W7 5 0.00000 1032 103 TIP3 H2 -14.29020 12.61608 -28.28269 W7 5 0.00000 1033 104 TIP3 OH2 -10.17585 14.29340 -21.68141 W7 8 0.00000 1034 104 TIP3 H1 -9.35519 13.81789 -21.81036 W7 8 0.00000 1035 104 TIP3 H2 -10.84771 13.61188 -21.66270 W7 8 0.00000 1036 105 TIP3 OH2 -11.18595 10.10036 -26.41003 W7 9 0.00000 1037 105 TIP3 H1 -10.35841 9.93825 -26.86294 W7 9 0.00000 1038 105 TIP3 H2 -11.15650 9.52728 -25.64391 W7 9 0.00000 1039 106 TIP3 OH2 -3.18488 1.03998 -25.94681 W7 10 0.00000 1040 106 TIP3 H1 -3.84605 0.93971 -25.26195 W7 10 0.00000 1041 106 TIP3 H2 -2.57298 1.68746 -25.59671 W7 10 0.00000 1042 107 TIP3 OH2 -7.44188 5.09797 -27.94424 W7 11 0.00000 1043 107 TIP3 H1 -7.04483 4.40613 -28.47333 W7 11 0.00000 1044 107 TIP3 H2 -6.96260 5.89033 -28.18649 W7 11 0.00000 1045 108 TIP3 OH2 -4.90720 0.40412 -23.95523 W7 16 0.00000 1046 108 TIP3 H1 -5.52203 1.13590 -24.00733 W7 16 0.00000 1047 108 TIP3 H2 -5.45552 -0.35687 -23.76422 W7 16 0.00000 1048 109 TIP3 OH2 -6.65272 13.07272 -25.74502 W7 18 0.00000 1049 109 TIP3 H1 -6.17458 13.52358 -26.44096 W7 18 0.00000 1050 109 TIP3 H2 -7.19626 13.75307 -25.34763 W7 18 0.00000 1051 110 TIP3 OH2 -13.74008 8.96066 -27.91346 W7 19 0.00000 1052 110 TIP3 H1 -14.50187 9.53711 -27.97358 W7 19 0.00000 1053 110 TIP3 H2 -13.23834 9.30241 -27.17340 W7 19 0.00000 1054 111 TIP3 OH2 -3.29156 4.13048 -28.61689 W7 20 0.00000 1055 111 TIP3 H1 -3.53488 3.33670 -29.09327 W7 20 0.00000 1056 111 TIP3 H2 -3.35379 3.88497 -27.69381 W7 20 0.00000 1057 112 TIP3 OH2 -15.98132 10.27629 -27.40325 W7 22 0.00000 1058 112 TIP3 H1 -16.02589 11.11631 -26.94654 W7 22 0.00000 1059 112 TIP3 H2 -16.80585 10.22176 -27.88638 W7 22 0.00000 1060 113 TIP3 OH2 -8.24459 9.55934 -20.87936 W7 24 0.00000 1061 113 TIP3 H1 -8.99960 9.80435 -21.41429 W7 24 0.00000 1062 113 TIP3 H2 -8.27085 10.16252 -20.13660 W7 24 0.00000 1063 114 TIP3 OH2 -5.08457 0.70519 -28.01542 W7 25 0.00000 1064 114 TIP3 H1 -5.75361 1.38294 -28.11162 W7 25 0.00000 1065 114 TIP3 H2 -4.41636 1.10490 -27.45867 W7 25 0.00000 1066 115 TIP3 OH2 -7.75374 13.57942 -21.98200 W7 27 0.00000 1067 115 TIP3 H1 -6.91115 13.28957 -22.33166 W7 27 0.00000 1068 115 TIP3 H2 -7.53164 14.28579 -21.37541 W7 27 0.00000 1069 116 TIP3 OH2 -5.28669 12.78767 -23.10544 W7 28 0.00000 1070 116 TIP3 H1 -4.82077 12.82112 -23.94092 W7 28 0.00000 1071 116 TIP3 H2 -5.65541 11.90499 -23.07145 W7 28 0.00000 1072 117 TIP3 OH2 -9.33647 5.61854 -20.11120 W7 29 0.00000 1073 117 TIP3 H1 -8.55327 5.67036 -20.65905 W7 29 0.00000 1074 117 TIP3 H2 -9.27840 6.38192 -19.53666 W7 29 0.00000 1075 118 TIP3 OH2 -5.59914 3.85374 -21.96803 W7 32 0.00000 1076 118 TIP3 H1 -6.32512 4.47491 -21.91036 W7 32 0.00000 1077 118 TIP3 H2 -4.81926 4.37868 -21.78790 W7 32 0.00000 1078 119 TIP3 OH2 -3.62415 10.62383 -26.50341 W7 33 0.00000 1079 119 TIP3 H1 -4.57025 10.63800 -26.64808 W7 33 0.00000 1080 119 TIP3 H2 -3.39126 9.69577 -26.52950 W7 33 0.00000 1081 120 TIP3 OH2 -9.12914 3.39575 -24.76644 W7 34 0.00000 1082 120 TIP3 H1 -9.71158 3.49684 -24.01359 W7 34 0.00000 1083 120 TIP3 H2 -9.16271 4.24265 -25.21126 W7 34 0.00000 1084 121 TIP3 OH2 -12.67811 12.61643 -26.93497 W7 36 0.00000 1085 121 TIP3 H1 -12.04410 12.76662 -27.63619 W7 36 0.00000 1086 121 TIP3 H2 -12.39892 11.79483 -26.53093 W7 36 0.00000 1087 122 TIP3 OH2 -12.42660 9.20864 -30.39068 W7 37 0.00000 1088 122 TIP3 H1 -11.58165 9.60976 -30.18719 W7 37 0.00000 1089 122 TIP3 H2 -12.85241 9.10144 -29.54014 W7 37 0.00000 1090 123 TIP3 OH2 -10.54421 10.28500 -22.27105 W7 38 0.00000 1091 123 TIP3 H1 -11.35716 10.37470 -21.77377 W7 38 0.00000 1092 123 TIP3 H2 -10.68148 9.51143 -22.81784 W7 38 0.00000 1093 124 TIP3 OH2 -16.45110 8.70334 -25.29872 W7 39 0.00000 1094 124 TIP3 H1 -17.22292 9.02509 -24.83290 W7 39 0.00000 1095 124 TIP3 H2 -16.37619 9.27514 -26.06270 W7 39 0.00000 1096 125 TIP3 OH2 -2.55436 11.98496 -28.58621 W7 40 0.00000 1097 125 TIP3 H1 -2.71593 11.39387 -27.85086 W7 40 0.00000 1098 125 TIP3 H2 -1.95303 12.64303 -28.23750 W7 40 0.00000 1099 126 TIP3 OH2 -8.60586 14.94382 -24.46555 W7 42 0.00000 1100 126 TIP3 H1 -8.90684 14.46471 -23.69348 W7 42 0.00000 1101 126 TIP3 H2 -9.07193 15.77898 -24.42650 W7 42 0.00000 1102 127 TIP3 OH2 -18.82413 10.16222 -24.83687 W7 43 0.00000 1103 127 TIP3 H1 -18.14213 10.70066 -25.23835 W7 43 0.00000 1104 127 TIP3 H2 -19.56371 10.22141 -25.44164 W7 43 0.00000 1105 128 TIP3 OH2 -0.12737 15.64025 -21.85358 W7 46 0.00000 1106 128 TIP3 H1 -0.50516 16.12813 -21.12182 W7 46 0.00000 1107 128 TIP3 H2 0.61553 15.17250 -21.47209 W7 46 0.00000 1108 129 TIP3 OH2 -9.57818 5.50235 -16.09497 W7 49 0.00000 1109 129 TIP3 H1 -9.26783 4.90683 -16.77705 W7 49 0.00000 1110 129 TIP3 H2 -10.48612 5.68871 -16.33400 W7 49 0.00000 1111 130 TIP3 OH2 -14.70131 8.97474 -22.76804 W7 50 0.00000 1112 130 TIP3 H1 -15.23510 9.17995 -22.00046 W7 50 0.00000 1113 130 TIP3 H2 -15.33305 8.87687 -23.48047 W7 50 0.00000 1114 131 TIP3 OH2 -8.88642 18.14742 -23.37472 W7 51 0.00000 1115 131 TIP3 H1 -8.26527 18.72269 -23.82133 W7 51 0.00000 1116 131 TIP3 H2 -9.25990 18.69034 -22.68047 W7 51 0.00000 1117 132 TIP3 OH2 -4.53818 18.54808 -22.87022 W7 53 0.00000 1118 132 TIP3 H1 -3.72633 18.24070 -23.27350 W7 53 0.00000 1119 132 TIP3 H2 -5.05751 17.75444 -22.74116 W7 53 0.00000 1120 133 TIP3 OH2 -6.56703 16.77613 -22.22414 W7 54 0.00000 1121 133 TIP3 H1 -7.34290 17.03547 -22.72112 W7 54 0.00000 1122 133 TIP3 H2 -6.52931 15.82426 -22.31750 W7 54 0.00000 1123 134 TIP3 OH2 -8.96142 0.46038 -23.50474 W7 55 0.00000 1124 134 TIP3 H1 -8.91271 1.39697 -23.69614 W7 55 0.00000 1125 134 TIP3 H2 -8.42730 0.04853 -24.18394 W7 55 0.00000 1126 135 TIP3 OH2 -9.11094 0.45636 -31.71144 W7 58 0.00000 1127 135 TIP3 H1 -9.19435 -0.46265 -31.45708 W7 58 0.00000 1128 135 TIP3 H2 -9.75155 0.57012 -32.41352 W7 58 0.00000 1129 136 TIP3 OH2 -8.71409 1.28224 -26.70562 W7 59 0.00000 1130 136 TIP3 H1 -9.54660 0.83800 -26.86631 W7 59 0.00000 1131 136 TIP3 H2 -8.95896 2.10521 -26.28256 W7 59 0.00000 1132 137 TIP3 OH2 -13.04605 2.51449 -26.65299 W7 65 0.00000 1133 137 TIP3 H1 -13.40004 2.01828 -27.39104 W7 65 0.00000 1134 137 TIP3 H2 -12.76673 1.84666 -26.02672 W7 65 0.00000 1135 138 TIP3 OH2 -5.75171 7.17662 -28.76235 W7 66 0.00000 1136 138 TIP3 H1 -5.60734 8.12222 -28.72724 W7 66 0.00000 1137 138 TIP3 H2 -5.06346 6.85013 -29.34195 W7 66 0.00000 1138 139 TIP3 OH2 -9.90263 5.39991 -26.60390 W7 71 0.00000 1139 139 TIP3 H1 -9.04800 5.30003 -27.02325 W7 71 0.00000 1140 139 TIP3 H2 -10.45825 4.74958 -27.03356 W7 71 0.00000 1141 140 TIP3 OH2 -6.20057 3.08167 -29.69136 W7 75 0.00000 1142 140 TIP3 H1 -7.13822 2.95217 -29.83373 W7 75 0.00000 1143 140 TIP3 H2 -5.93241 3.68029 -30.38848 W7 75 0.00000 1144 141 TIP3 OH2 -13.41725 8.24902 -14.95974 W7 77 0.00000 1145 141 TIP3 H1 -12.86909 9.02150 -14.82186 W7 77 0.00000 1146 141 TIP3 H2 -13.49964 7.85508 -14.09127 W7 77 0.00000 1147 142 TIP3 OH2 -8.52346 7.39667 -29.83880 W7 79 0.00000 1148 142 TIP3 H1 -7.60043 7.20902 -30.00915 W7 79 0.00000 1149 142 TIP3 H2 -8.97381 6.57217 -30.02220 W7 79 0.00000 1150 143 TIP3 OH2 -10.51130 5.17085 -31.02399 W7 81 0.00000 1151 143 TIP3 H1 -11.29309 5.67848 -31.24159 W7 81 0.00000 1152 143 TIP3 H2 -10.75521 4.67873 -30.24006 W7 81 0.00000 1153 144 TIP3 OH2 -7.47799 5.85560 -22.17369 W7 83 0.00000 1154 144 TIP3 H1 -6.83976 6.30858 -21.62261 W7 83 0.00000 1155 144 TIP3 H2 -7.76089 6.51625 -22.80594 W7 83 0.00000 1156 145 TIP3 OH2 -13.21572 6.80006 -24.40976 W7 85 0.00000 1157 145 TIP3 H1 -13.85670 6.12271 -24.62554 W7 85 0.00000 1158 145 TIP3 H2 -13.70769 7.44144 -23.89708 W7 85 0.00000 1159 146 TIP3 OH2 -5.09532 15.58836 -27.22671 W7 88 0.00000 1160 146 TIP3 H1 -5.82201 15.98362 -26.74513 W7 88 0.00000 1161 146 TIP3 H2 -5.48831 15.27906 -28.04287 W7 88 0.00000 1162 147 TIP3 OH2 -15.19892 4.27513 -27.24391 W7 90 0.00000 1163 147 TIP3 H1 -14.74424 4.86003 -27.85002 W7 90 0.00000 1164 147 TIP3 H2 -14.49751 3.82505 -26.77308 W7 90 0.00000 1165 148 TIP3 OH2 -12.50300 7.72397 -21.28499 W7 91 0.00000 1166 148 TIP3 H1 -12.98606 8.32474 -21.85240 W7 91 0.00000 1167 148 TIP3 H2 -13.18049 7.27130 -20.78267 W7 91 0.00000 1168 149 TIP3 OH2 1.65812 8.39855 -26.51182 W7 92 0.00000 1169 149 TIP3 H1 1.86878 8.76738 -27.36961 W7 92 0.00000 1170 149 TIP3 H2 1.60664 9.15723 -25.93045 W7 92 0.00000 1171 150 TIP3 OH2 -8.85790 3.71950 -18.39052 W7 93 0.00000 1172 150 TIP3 H1 -9.25989 4.40704 -18.92149 W7 93 0.00000 1173 150 TIP3 H2 -7.95659 4.01379 -18.25918 W7 93 0.00000 1174 151 TIP3 OH2 -2.71725 14.51405 -21.63594 W7 94 0.00000 1175 151 TIP3 H1 -2.89667 13.88190 -22.33192 W7 94 0.00000 1176 151 TIP3 H2 -1.87289 14.89800 -21.87230 W7 94 0.00000 1177 152 TIP3 OH2 -7.56043 7.31843 -24.64998 W7 95 0.00000 1178 152 TIP3 H1 -8.08399 7.49137 -25.43242 W7 95 0.00000 1179 152 TIP3 H2 -6.78061 6.87012 -24.97730 W7 95 0.00000 1180 153 TIP3 OH2 -11.39619 15.26752 -28.02471 W7 96 0.00000 1181 153 TIP3 H1 -11.16911 15.74082 -27.22431 W7 96 0.00000 1182 153 TIP3 H2 -11.85687 15.91191 -28.56207 W7 96 0.00000 1183 154 TIP3 OH2 -9.38332 13.51615 -28.77242 W7 98 0.00000 1184 154 TIP3 H1 -9.88016 14.18575 -28.30229 W7 98 0.00000 1185 154 TIP3 H2 -9.98839 13.19285 -29.43997 W7 98 0.00000 1186 155 TIP3 OH2 -14.63341 11.90076 -23.55804 W7 99 0.00000 1187 155 TIP3 H1 -14.52091 12.50535 -22.82454 W7 99 0.00000 1188 155 TIP3 H2 -14.67554 11.03527 -23.15138 W7 99 0.00000 1189 156 TIP3 OH2 -11.63200 17.60615 -26.45412 W7 100 0.00000 1190 156 TIP3 H1 -12.33477 17.95907 -26.99982 W7 100 0.00000 1191 156 TIP3 H2 -11.90088 17.80620 -25.55751 W7 100 0.00000 1192 157 TIP3 OH2 -10.77076 8.31840 -23.89576 W7 101 0.00000 1193 157 TIP3 H1 -11.52966 7.75754 -24.05609 W7 101 0.00000 1194 157 TIP3 H2 -10.01578 7.75398 -24.06207 W7 101 0.00000 1195 158 TIP3 OH2 -2.32777 15.48755 -25.44982 W7 102 0.00000 1196 158 TIP3 H1 -2.50179 14.58020 -25.19951 W7 102 0.00000 1197 158 TIP3 H2 -2.98699 15.68346 -26.11563 W7 102 0.00000 1198 159 TIP3 OH2 -12.16211 8.82058 -18.26568 W7 103 0.00000 1199 159 TIP3 H1 -12.04775 8.98091 -19.20240 W7 103 0.00000 1200 159 TIP3 H2 -11.77935 9.58895 -17.84220 W7 103 0.00000 1201 160 TIP3 OH2 -0.95257 16.83856 -19.39435 W7 104 0.00000 1202 160 TIP3 H1 -0.55884 17.07455 -18.55441 W7 104 0.00000 1203 160 TIP3 H2 -1.82705 17.22685 -19.36701 W7 104 0.00000 1204 161 TIP3 OH2 -2.79241 12.82918 -25.01547 W7 106 0.00000 1205 161 TIP3 H1 -3.10529 12.06547 -25.50031 W7 106 0.00000 1206 161 TIP3 H2 -2.35079 12.46270 -24.24939 W7 106 0.00000 1207 162 TIP3 OH2 -8.78018 2.31938 -29.61283 W7 111 0.00000 1208 162 TIP3 H1 -8.77225 1.70239 -28.88106 W7 111 0.00000 1209 162 TIP3 H2 -8.84878 1.76714 -30.39164 W7 111 0.00000 1210 163 TIP3 OH2 -7.04564 17.38347 -26.13566 W7 113 0.00000 1211 163 TIP3 H1 -7.79051 17.95196 -26.33113 W7 113 0.00000 1212 163 TIP3 H2 -6.42425 17.95058 -25.67904 W7 113 0.00000 1213 164 TIP3 OH2 -11.30002 3.64574 -28.64962 W7 115 0.00000 1214 164 TIP3 H1 -11.91654 3.48373 -27.93556 W7 115 0.00000 1215 164 TIP3 H2 -10.71022 2.89202 -28.63310 W7 115 0.00000 1216 165 TIP3 OH2 -9.15580 18.97872 -27.22041 W7 117 0.00000 1217 165 TIP3 H1 -8.98131 19.79209 -26.74691 W7 117 0.00000 1218 165 TIP3 H2 -9.97952 18.65882 -26.85247 W7 117 0.00000 1219 166 TIP3 OH2 -7.02262 -0.37441 -25.63022 W7 119 0.00000 1220 166 TIP3 H1 -7.66254 0.16426 -26.09560 W7 119 0.00000 1221 166 TIP3 H2 -6.20028 0.10933 -25.70745 W7 119 0.00000 1222 167 TIP3 OH2 -5.26841 6.52780 -26.03018 W7 120 0.00000 1223 167 TIP3 H1 -5.44279 6.73600 -26.94804 W7 120 0.00000 1224 167 TIP3 H2 -5.06883 5.59164 -26.03018 W7 120 0.00000 1225 168 TIP3 OH2 -8.71108 11.25492 -18.59425 W7 123 0.00000 1226 168 TIP3 H1 -8.60289 12.19712 -18.46469 W7 123 0.00000 1227 168 TIP3 H2 -8.24867 10.85662 -17.85685 W7 123 0.00000 1228 169 TIP3 OH2 -20.26562 8.97939 -22.71056 W7 127 0.00000 1229 169 TIP3 H1 -19.82812 8.19025 -22.39106 W7 127 0.00000 1230 169 TIP3 H2 -19.58462 9.45575 -23.18546 W7 127 0.00000 1231 170 TIP3 OH2 -4.95712 19.70399 -26.51882 W7 128 0.00000 1232 170 TIP3 H1 -5.39025 19.28362 -27.26172 W7 128 0.00000 1233 170 TIP3 H2 -4.11773 19.25035 -26.44228 W7 128 0.00000 1234 171 TIP3 OH2 -14.49385 6.55440 -19.82953 W7 129 0.00000 1235 171 TIP3 H1 -14.60434 5.93826 -20.55368 W7 129 0.00000 1236 171 TIP3 H2 -14.46179 6.00281 -19.04790 W7 129 0.00000 1237 172 TIP3 OH2 -1.98245 17.89136 -23.49336 W7 130 0.00000 1238 172 TIP3 H1 -1.83073 16.96556 -23.68343 W7 130 0.00000 1239 172 TIP3 H2 -1.19303 18.17409 -23.03173 W7 130 0.00000 1240 173 TIP3 OH2 -16.42017 5.72040 -25.23768 W7 133 0.00000 1241 173 TIP3 H1 -16.15802 6.58198 -25.56198 W7 133 0.00000 1242 173 TIP3 H2 -15.94695 5.10078 -25.79298 W7 133 0.00000 1243 174 TIP3 OH2 -10.82455 5.49723 -22.34310 W7 135 0.00000 1244 174 TIP3 H1 -10.44396 5.72071 -21.49374 W7 135 0.00000 1245 174 TIP3 H2 -11.56563 6.09544 -22.43890 W7 135 0.00000 1246 175 TIP3 OH2 -14.65821 5.59738 -29.87505 W7 138 0.00000 1247 175 TIP3 H1 -15.48234 6.06630 -29.74405 W7 138 0.00000 1248 175 TIP3 H2 -13.98034 6.25252 -29.70917 W7 138 0.00000 1249 176 TIP3 OH2 -14.32049 3.38681 -23.78832 W7 140 0.00000 1250 176 TIP3 H1 -13.69478 3.14331 -23.10610 W7 140 0.00000 1251 176 TIP3 H2 -14.60324 2.55278 -24.16340 W7 140 0.00000 1252 177 TIP3 OH2 1.65335 13.44189 -25.50643 W7 141 0.00000 1253 177 TIP3 H1 2.15460 13.79221 -26.24280 W7 141 0.00000 1254 177 TIP3 H2 1.51378 14.19436 -24.93151 W7 141 0.00000 1255 178 TIP3 OH2 -14.27186 2.99944 -31.05131 W7 142 0.00000 1256 178 TIP3 H1 -13.52749 2.86485 -31.63784 W7 142 0.00000 1257 178 TIP3 H2 -14.15691 3.88932 -30.71797 W7 142 0.00000 1258 179 TIP3 OH2 -12.70016 6.38593 -27.93815 W7 144 0.00000 1259 179 TIP3 H1 -11.76561 6.41375 -27.73307 W7 144 0.00000 1260 179 TIP3 H2 -13.02653 7.25039 -27.68831 W7 144 0.00000 1261 180 TIP3 OH2 -12.38050 0.10515 -24.77478 W7 145 0.00000 1262 180 TIP3 H1 -11.86769 -0.50523 -25.30458 W7 145 0.00000 1263 180 TIP3 H2 -11.94342 0.10955 -23.92321 W7 145 0.00000 1264 181 TIP3 OH2 -11.15037 2.80708 -22.67886 W7 146 0.00000 1265 181 TIP3 H1 -11.18944 3.75897 -22.58609 W7 146 0.00000 1266 181 TIP3 H2 -10.39726 2.54506 -22.14933 W7 146 0.00000 1267 182 TIP3 OH2 -16.95993 3.03109 -30.62947 W7 147 0.00000 1268 182 TIP3 H1 -17.15367 3.07193 -31.56597 W7 147 0.00000 1269 182 TIP3 H2 -16.00443 2.99773 -30.58330 W7 147 0.00000 1270 183 TIP3 OH2 -13.65827 1.27855 -28.80209 W7 149 0.00000 1271 183 TIP3 H1 -14.34313 0.60982 -28.80479 W7 149 0.00000 1272 183 TIP3 H2 -13.77169 1.74156 -29.63214 W7 149 0.00000 1273 184 TIP3 OH2 -10.94052 0.40799 -27.88164 W7 150 0.00000 1274 184 TIP3 H1 -11.67103 0.65691 -28.44785 W7 150 0.00000 1275 184 TIP3 H2 -10.95952 -0.54897 -27.87211 W7 150 0.00000 1276 185 TIP3 OH2 -10.73258 -2.38411 -27.03440 W7 151 0.00000 1277 185 TIP3 H1 -10.47583 -2.98281 -27.73573 W7 151 0.00000 1278 185 TIP3 H2 -11.61030 -2.67146 -26.78289 W7 151 0.00000 1279 186 TIP3 OH2 -13.77633 -1.49598 -31.10404 W7 154 0.00000 1280 186 TIP3 H1 -13.15888 -1.22237 -31.78236 W7 154 0.00000 1281 186 TIP3 H2 -14.38710 -0.76313 -31.02574 W7 154 0.00000 1282 187 TIP3 OH2 -8.49077 21.12638 -25.75905 W7 155 0.00000 1283 187 TIP3 H1 -8.01724 20.82471 -24.98381 W7 155 0.00000 1284 187 TIP3 H2 -8.47539 22.08118 -25.69322 W7 155 0.00000 1285 188 TIP3 OH2 -7.27020 10.63057 -16.27361 W7 159 0.00000 1286 188 TIP3 H1 -7.97199 10.13495 -15.85162 W7 159 0.00000 1287 188 TIP3 H2 -6.77201 11.00654 -15.54788 W7 159 0.00000 1288 189 TIP3 OH2 -9.36498 8.53961 -15.87937 W7 160 0.00000 1289 189 TIP3 H1 -9.19703 8.45910 -16.81827 W7 160 0.00000 1290 189 TIP3 H2 -9.31956 7.64215 -15.54962 W7 160 0.00000 1291 190 TIP3 OH2 -12.08646 3.15721 -18.17301 W7 161 0.00000 1292 190 TIP3 H1 -12.89153 3.11300 -18.68888 W7 161 0.00000 1293 190 TIP3 H2 -12.38582 3.23959 -17.26757 W7 161 0.00000 1294 191 TIP3 OH2 -0.98076 11.21831 -23.29669 W7 162 0.00000 1295 191 TIP3 H1 -0.63914 11.13088 -22.40682 W7 162 0.00000 1296 191 TIP3 H2 -1.13518 10.31839 -23.58396 W7 162 0.00000 1297 192 TIP3 OH2 -1.28468 8.57357 -23.72330 W7 163 0.00000 1298 192 TIP3 H1 -1.87430 8.23075 -24.39490 W7 163 0.00000 1299 192 TIP3 H2 -1.45373 8.02866 -22.95472 W7 163 0.00000 1300 193 TIP3 OH2 -5.67203 7.21185 -20.37814 W7 164 0.00000 1301 193 TIP3 H1 -4.80332 6.86914 -20.16807 W7 164 0.00000 1302 193 TIP3 H2 -5.83232 7.88265 -19.71440 W7 164 0.00000 1303 194 TIP3 OH2 -9.17835 8.09705 -18.69987 W7 165 0.00000 1304 194 TIP3 H1 -10.13539 8.11263 -18.70624 W7 165 0.00000 1305 194 TIP3 H2 -8.92723 8.42554 -19.56315 W7 165 0.00000 1306 195 TIP3 OH2 1.33316 10.82395 -24.81348 W7 166 0.00000 1307 195 TIP3 H1 1.34570 11.71479 -25.16344 W7 166 0.00000 1308 195 TIP3 H2 0.63412 10.83277 -24.15965 W7 166 0.00000 1309 196 TIP3 OH2 -2.64236 7.94986 -25.99746 W7 168 0.00000 1310 196 TIP3 H1 -2.41391 7.38329 -26.73437 W7 168 0.00000 1311 196 TIP3 H2 -3.53438 7.69253 -25.76443 W7 168 0.00000 1312 197 TIP3 OH2 -9.15417 2.55209 -20.90011 W7 170 0.00000 1313 197 TIP3 H1 -8.64857 1.74019 -20.93756 W7 170 0.00000 1314 197 TIP3 H2 -9.06661 2.84775 -19.99394 W7 170 0.00000 1315 198 TIP3 OH2 -7.91358 0.19855 -21.07240 W7 171 0.00000 1316 198 TIP3 H1 -8.25252 0.34415 -21.95566 W7 171 0.00000 1317 198 TIP3 H2 -7.21488 -0.44564 -21.18664 W7 171 0.00000 1318 199 TIP3 OH2 -1.00457 7.45975 -28.31458 W7 173 0.00000 1319 199 TIP3 H1 -0.59856 6.67909 -28.69136 W7 173 0.00000 1320 199 TIP3 H2 -0.38379 7.75551 -27.64873 W7 173 0.00000 1321 200 TIP3 OH2 -4.41453 4.01970 -25.70691 W7 174 0.00000 1322 200 TIP3 H1 -3.84039 3.87303 -24.95518 W7 174 0.00000 1323 200 TIP3 H2 -5.21997 3.55072 -25.48884 W7 174 0.00000 1324 201 TIP3 OH2 -6.49121 2.65036 -24.27112 W7 175 0.00000 1325 201 TIP3 H1 -7.38645 2.86603 -24.53234 W7 175 0.00000 1326 201 TIP3 H2 -6.32972 3.19161 -23.49833 W7 175 0.00000 1327 202 TIP3 OH2 -6.53144 -5.69301 -24.97783 W7 177 0.00000 1328 202 TIP3 H1 -5.67674 -5.84166 -25.38231 W7 177 0.00000 1329 202 TIP3 H2 -6.41945 -4.89056 -24.46817 W7 177 0.00000 1330 203 TIP3 OH2 -6.45420 -3.02603 -24.44200 W7 181 0.00000 1331 203 TIP3 H1 -7.13229 -2.51598 -24.88503 W7 181 0.00000 1332 203 TIP3 H2 -5.67117 -2.90110 -24.97816 W7 181 0.00000 1333 204 TIP3 OH2 -6.52256 14.72955 -19.86385 W7 184 0.00000 1334 204 TIP3 H1 -5.56638 14.68565 -19.86355 W7 184 0.00000 1335 204 TIP3 H2 -6.77573 14.45432 -18.98273 W7 184 0.00000 1336 205 TIP3 OH2 -16.79862 12.01771 -25.43516 W7 187 0.00000 1337 205 TIP3 H1 -17.16347 12.88760 -25.27270 W7 187 0.00000 1338 205 TIP3 H2 -16.02289 11.97457 -24.87604 W7 187 0.00000 1339 206 TIP3 OH2 -16.36378 9.54041 -20.64195 W7 188 0.00000 1340 206 TIP3 H1 -16.71483 8.67122 -20.44836 W7 188 0.00000 1341 206 TIP3 H2 -15.68804 9.67956 -19.97843 W7 188 0.00000 1342 207 TIP3 OH2 -14.72514 10.11990 -18.47328 W7 189 0.00000 1343 207 TIP3 H1 -13.90290 9.63248 -18.52389 W7 189 0.00000 1344 207 TIP3 H2 -15.18245 9.74176 -17.72221 W7 189 0.00000 1345 208 TIP3 OH2 -5.02974 -2.51253 -27.10883 W7 190 0.00000 1346 208 TIP3 H1 -5.42149 -1.76660 -27.56308 W7 190 0.00000 1347 208 TIP3 H2 -4.26573 -2.74152 -27.63806 W7 190 0.00000 1348 209 TIP3 OH2 -17.22310 14.58108 -23.92561 W7 192 0.00000 1349 209 TIP3 H1 -18.09291 14.64790 -24.31956 W7 192 0.00000 1350 209 TIP3 H2 -16.91957 15.48644 -23.85910 W7 192 0.00000 1351 210 TIP3 OH2 -13.49575 13.48576 -21.13477 W7 193 0.00000 1352 210 TIP3 H1 -13.54037 14.42671 -21.30458 W7 193 0.00000 1353 210 TIP3 H2 -14.07175 13.35010 -20.38240 W7 193 0.00000 1354 211 TIP3 OH2 -12.20000 11.33184 -20.01603 W7 194 0.00000 1355 211 TIP3 H1 -12.68090 11.92059 -20.59770 W7 194 0.00000 1356 211 TIP3 H2 -12.15473 11.80147 -19.18320 W7 194 0.00000 1357 212 TIP3 OH2 -11.18370 11.31386 -17.13504 W7 195 0.00000 1358 212 TIP3 H1 -11.46986 12.12539 -16.71582 W7 195 0.00000 1359 212 TIP3 H2 -10.36472 11.54577 -17.57289 W7 195 0.00000 1360 213 TIP3 OH2 -14.76507 15.68298 -27.19940 W7 197 0.00000 1361 213 TIP3 H1 -14.71867 15.03205 -27.89966 W7 197 0.00000 1362 213 TIP3 H2 -14.57303 15.19084 -26.40118 W7 197 0.00000 1363 214 TIP3 OH2 -13.79607 14.58466 -24.91167 W7 198 0.00000 1364 214 TIP3 H1 -13.16705 14.11301 -25.45766 W7 198 0.00000 1365 214 TIP3 H2 -14.37793 13.90406 -24.57336 W7 198 0.00000 1366 215 TIP3 OH2 -2.12386 1.37724 -30.21096 W7 200 0.00000 1367 215 TIP3 H1 -1.56927 1.87561 -29.61073 W7 200 0.00000 1368 215 TIP3 H2 -2.64968 2.04026 -30.65833 W7 200 0.00000 1369 216 TIP3 OH2 -0.24085 2.67208 -28.85599 W7 201 0.00000 1370 216 TIP3 H1 0.68955 2.47630 -28.96666 W7 201 0.00000 1371 216 TIP3 H2 -0.29399 3.11381 -28.00848 W7 201 0.00000 1372 217 TIP3 OH2 -6.63281 19.56477 -24.42974 W7 210 0.00000 1373 217 TIP3 H1 -6.05892 19.63938 -23.66729 W7 210 0.00000 1374 217 TIP3 H2 -6.10827 19.89683 -25.15832 W7 210 0.00000 1375 218 TIP3 OH2 -3.80058 15.25107 -19.35537 W7 211 0.00000 1376 218 TIP3 H1 -3.30415 15.19400 -20.17177 W7 211 0.00000 1377 218 TIP3 H2 -3.69044 16.15821 -19.07043 W7 211 0.00000 1378 219 TIP3 OH2 -9.63763 -3.94888 -29.05605 W7 215 0.00000 1379 219 TIP3 H1 -10.01369 -4.82759 -29.00427 W7 215 0.00000 1380 219 TIP3 H2 -8.81791 -4.00935 -28.56551 W7 215 0.00000 1381 220 TIP3 OH2 -12.00604 6.57923 -16.65941 W7 216 0.00000 1382 220 TIP3 H1 -12.11855 7.06233 -17.47806 W7 216 0.00000 1383 220 TIP3 H2 -12.50869 7.07802 -16.01538 W7 216 0.00000 1384 221 TIP3 OH2 -18.85931 -1.93764 -20.73952 W8 1 0.00000 1385 221 TIP3 H1 -19.02632 -1.24994 -20.09500 W8 1 0.00000 1386 221 TIP3 H2 -18.75431 -1.46976 -21.56794 W8 1 0.00000 1387 222 TIP3 OH2 -21.60147 -4.35786 -20.80779 W8 2 0.00000 1388 222 TIP3 H1 -21.88148 -5.24599 -21.02921 W8 2 0.00000 1389 222 TIP3 H2 -21.14676 -4.04736 -21.59077 W8 2 0.00000 1390 223 TIP3 OH2 -18.97814 -2.50151 -16.94391 W8 4 0.00000 1391 223 TIP3 H1 -19.33220 -3.13524 -17.56781 W8 4 0.00000 1392 223 TIP3 H2 -19.64691 -2.43653 -16.26219 W8 4 0.00000 1393 224 TIP3 OH2 -27.51356 0.50234 -22.52788 W8 5 0.00000 1394 224 TIP3 H1 -27.24618 0.33725 -23.43202 W8 5 0.00000 1395 224 TIP3 H2 -26.86088 0.04540 -21.99737 W8 5 0.00000 1396 225 TIP3 OH2 -22.74652 1.72273 -15.39608 W8 8 0.00000 1397 225 TIP3 H1 -21.92586 1.24722 -15.52503 W8 8 0.00000 1398 225 TIP3 H2 -23.41838 1.04121 -15.37737 W8 8 0.00000 1399 226 TIP3 OH2 -23.75662 -2.47031 -20.12470 W8 9 0.00000 1400 226 TIP3 H1 -22.92908 -2.63242 -20.57761 W8 9 0.00000 1401 226 TIP3 H2 -23.72718 -3.04340 -19.35859 W8 9 0.00000 1402 227 TIP3 OH2 -15.75556 -11.53070 -19.66149 W8 10 0.00000 1403 227 TIP3 H1 -16.41672 -11.63096 -18.97662 W8 10 0.00000 1404 227 TIP3 H2 -15.14365 -10.88321 -19.31138 W8 10 0.00000 1405 228 TIP3 OH2 -20.01255 -7.47270 -21.65891 W8 11 0.00000 1406 228 TIP3 H1 -19.61550 -8.16454 -22.18800 W8 11 0.00000 1407 228 TIP3 H2 -19.53327 -6.68034 -21.90116 W8 11 0.00000 1408 229 TIP3 OH2 -15.95409 -6.05914 -23.69494 W8 13 0.00000 1409 229 TIP3 H1 -15.83009 -6.91025 -23.27486 W8 13 0.00000 1410 229 TIP3 H2 -15.37152 -5.46861 -23.21733 W8 13 0.00000 1411 230 TIP3 OH2 -22.24090 -2.58413 -24.58914 W8 15 0.00000 1412 230 TIP3 H1 -21.99428 -3.48007 -24.35958 W8 15 0.00000 1413 230 TIP3 H2 -22.14917 -2.54641 -25.54118 W8 15 0.00000 1414 231 TIP3 OH2 -17.47788 -12.16656 -17.66991 W8 16 0.00000 1415 231 TIP3 H1 -18.09270 -11.43477 -17.72200 W8 16 0.00000 1416 231 TIP3 H2 -18.02619 -12.92754 -17.47889 W8 16 0.00000 1417 232 TIP3 OH2 -19.22339 0.50205 -19.45969 W8 18 0.00000 1418 232 TIP3 H1 -18.74526 0.95290 -20.15564 W8 18 0.00000 1419 232 TIP3 H2 -19.76694 1.18239 -19.06231 W8 18 0.00000 1420 233 TIP3 OH2 -15.86224 -8.44020 -22.33157 W8 20 0.00000 1421 233 TIP3 H1 -16.10555 -9.23397 -22.80794 W8 20 0.00000 1422 233 TIP3 H2 -15.92446 -8.68570 -21.40848 W8 20 0.00000 1423 234 TIP3 OH2 -20.81527 -3.01134 -14.59404 W8 24 0.00000 1424 234 TIP3 H1 -21.57028 -2.76633 -15.12897 W8 24 0.00000 1425 234 TIP3 H2 -20.84152 -2.40815 -13.85127 W8 24 0.00000 1426 235 TIP3 OH2 -20.32441 1.00875 -15.69667 W8 27 0.00000 1427 235 TIP3 H1 -19.48182 0.71890 -16.04633 W8 27 0.00000 1428 235 TIP3 H2 -20.10231 1.71512 -15.09008 W8 27 0.00000 1429 236 TIP3 OH2 -17.85736 0.21700 -16.82011 W8 28 0.00000 1430 236 TIP3 H1 -17.39144 0.25045 -17.65559 W8 28 0.00000 1431 236 TIP3 H2 -18.22608 -0.66568 -16.78612 W8 28 0.00000 1432 237 TIP3 OH2 -21.90714 -6.95213 -13.82587 W8 29 0.00000 1433 237 TIP3 H1 -21.12394 -6.90031 -14.37372 W8 29 0.00000 1434 237 TIP3 H2 -21.84907 -6.18875 -13.25133 W8 29 0.00000 1435 238 TIP3 OH2 -17.76117 -0.31675 -22.94535 W8 30 0.00000 1436 238 TIP3 H1 -18.17916 0.51168 -23.18032 W8 30 0.00000 1437 238 TIP3 H2 -16.87886 -0.07019 -22.66794 W8 30 0.00000 1438 239 TIP3 OH2 -15.23670 0.61123 -24.92495 W8 31 0.00000 1439 239 TIP3 H1 -15.21120 -0.04157 -24.22536 W8 31 0.00000 1440 239 TIP3 H2 -14.38845 0.52916 -25.36080 W8 31 0.00000 1441 240 TIP3 OH2 -18.16982 -8.71694 -15.68271 W8 32 0.00000 1442 240 TIP3 H1 -18.89579 -8.09576 -15.62503 W8 32 0.00000 1443 240 TIP3 H2 -17.38993 -8.19199 -15.50257 W8 32 0.00000 1444 241 TIP3 OH2 -16.19482 -1.94684 -20.21808 W8 33 0.00000 1445 241 TIP3 H1 -17.14092 -1.93267 -20.36275 W8 33 0.00000 1446 241 TIP3 H2 -15.96193 -2.87490 -20.24417 W8 33 0.00000 1447 242 TIP3 OH2 -21.69981 -9.17492 -18.48111 W8 34 0.00000 1448 242 TIP3 H1 -22.28225 -9.07383 -17.72826 W8 34 0.00000 1449 242 TIP3 H2 -21.73339 -8.32803 -18.92594 W8 34 0.00000 1450 243 TIP3 OH2 -23.22979 0.00344 -24.73993 W8 35 0.00000 1451 243 TIP3 H1 -22.78102 0.41203 -25.48012 W8 35 0.00000 1452 243 TIP3 H2 -22.84520 -0.87098 -24.67911 W8 35 0.00000 1453 244 TIP3 OH2 -25.24879 0.04575 -20.64965 W8 36 0.00000 1454 244 TIP3 H1 -24.61478 0.19594 -21.35087 W8 36 0.00000 1455 244 TIP3 H2 -24.96959 -0.77584 -20.24560 W8 36 0.00000 1456 245 TIP3 OH2 -23.11489 -2.28568 -15.98573 W8 38 0.00000 1457 245 TIP3 H1 -23.92783 -2.19597 -15.48844 W8 38 0.00000 1458 245 TIP3 H2 -23.25215 -3.05924 -16.53251 W8 38 0.00000 1459 246 TIP3 OH2 -15.12503 -0.58571 -22.30088 W8 40 0.00000 1460 246 TIP3 H1 -15.28660 -1.17680 -21.56553 W8 40 0.00000 1461 246 TIP3 H2 -14.52371 0.07235 -21.95218 W8 40 0.00000 1462 247 TIP3 OH2 -21.17653 2.37315 -18.18022 W8 42 0.00000 1463 247 TIP3 H1 -21.47751 1.89404 -17.40815 W8 42 0.00000 1464 247 TIP3 H2 -21.64260 3.20831 -18.14117 W8 42 0.00000 1465 248 TIP3 OH2 -9.78447 -7.19395 -25.39731 W8 44 0.00000 1466 248 TIP3 H1 -10.62743 -6.99808 -25.80631 W8 44 0.00000 1467 248 TIP3 H2 -9.62584 -6.45570 -24.80905 W8 44 0.00000 1468 249 TIP3 OH2 -21.98560 1.32679 -26.83703 W8 45 0.00000 1469 249 TIP3 H1 -22.10899 2.26344 -26.68312 W8 45 0.00000 1470 249 TIP3 H2 -22.10689 1.22060 -27.78056 W8 45 0.00000 1471 250 TIP3 OH2 -12.69804 3.06958 -15.56825 W8 46 0.00000 1472 250 TIP3 H1 -13.07583 3.55746 -14.83649 W8 46 0.00000 1473 250 TIP3 H2 -11.95514 2.60183 -15.18676 W8 46 0.00000 1474 251 TIP3 OH2 -22.14885 -7.06832 -9.80964 W8 49 0.00000 1475 251 TIP3 H1 -21.83851 -7.66385 -10.49173 W8 49 0.00000 1476 251 TIP3 H2 -23.05679 -6.88196 -10.04867 W8 49 0.00000 1477 252 TIP3 OH2 -27.27199 -3.59594 -16.48272 W8 50 0.00000 1478 252 TIP3 H1 -27.80577 -3.39072 -15.71513 W8 50 0.00000 1479 252 TIP3 H2 -27.90373 -3.69381 -17.19515 W8 50 0.00000 1480 253 TIP3 OH2 -21.45709 5.57675 -17.08939 W8 51 0.00000 1481 253 TIP3 H1 -20.83594 6.15202 -17.53600 W8 51 0.00000 1482 253 TIP3 H2 -21.83057 6.11967 -16.39514 W8 51 0.00000 1483 254 TIP3 OH2 -17.10886 5.97740 -16.58490 W8 53 0.00000 1484 254 TIP3 H1 -16.29701 5.67002 -16.98818 W8 53 0.00000 1485 254 TIP3 H2 -17.62818 5.18377 -16.45583 W8 53 0.00000 1486 255 TIP3 OH2 -19.13770 4.20546 -15.93881 W8 54 0.00000 1487 255 TIP3 H1 -19.91358 4.46479 -16.43580 W8 54 0.00000 1488 255 TIP3 H2 -19.09999 3.25358 -16.03218 W8 54 0.00000 1489 256 TIP3 OH2 -12.90429 1.19055 -21.41752 W8 60 0.00000 1490 256 TIP3 H1 -12.18204 1.64811 -21.84788 W8 60 0.00000 1491 256 TIP3 H2 -12.59772 1.04662 -20.52225 W8 60 0.00000 1492 257 TIP3 OH2 -14.26129 -1.86338 -28.22837 W8 61 0.00000 1493 257 TIP3 H1 -15.05190 -2.38131 -28.07701 W8 61 0.00000 1494 257 TIP3 H2 -13.94108 -2.15784 -29.08100 W8 61 0.00000 1495 258 TIP3 OH2 -17.30090 -2.81384 -23.71555 W8 64 0.00000 1496 258 TIP3 H1 -17.65082 -1.93993 -23.54213 W8 64 0.00000 1497 258 TIP3 H2 -16.36430 -2.73785 -23.53323 W8 64 0.00000 1498 259 TIP3 OH2 -18.32238 -5.39405 -22.47702 W8 66 0.00000 1499 259 TIP3 H1 -18.17802 -4.44846 -22.44192 W8 66 0.00000 1500 259 TIP3 H2 -17.63414 -5.72055 -23.05663 W8 66 0.00000 1501 260 TIP3 OH2 -15.88901 0.07226 -30.30940 W8 68 0.00000 1502 260 TIP3 H1 -16.51446 -0.56725 -30.65010 W8 68 0.00000 1503 260 TIP3 H2 -16.15014 0.90089 -30.71115 W8 68 0.00000 1504 261 TIP3 OH2 -18.99781 -1.39764 -28.01930 W8 74 0.00000 1505 261 TIP3 H1 -18.53865 -1.74103 -27.25283 W8 74 0.00000 1506 261 TIP3 H2 -18.93124 -0.44667 -27.93283 W8 74 0.00000 1507 262 TIP3 OH2 -18.65761 1.46276 -28.91827 W8 76 0.00000 1508 262 TIP3 H1 -18.43190 1.85134 -29.76342 W8 76 0.00000 1509 262 TIP3 H2 -17.88104 1.60031 -28.37582 W8 76 0.00000 1510 263 TIP3 OH2 -25.98792 -4.32165 -8.67441 W8 77 0.00000 1511 263 TIP3 H1 -25.43976 -3.54917 -8.53653 W8 77 0.00000 1512 263 TIP3 H2 -26.07031 -4.71559 -7.80594 W8 77 0.00000 1513 264 TIP3 OH2 -21.09414 -5.17401 -23.55348 W8 79 0.00000 1514 264 TIP3 H1 -20.17110 -5.36165 -23.72382 W8 79 0.00000 1515 264 TIP3 H2 -21.54448 -5.99850 -23.73687 W8 79 0.00000 1516 265 TIP3 OH2 -19.24648 2.10418 -23.00576 W8 82 0.00000 1517 265 TIP3 H1 -19.35912 2.22897 -23.94808 W8 82 0.00000 1518 265 TIP3 H2 -19.98325 1.55049 -22.74725 W8 82 0.00000 1519 266 TIP3 OH2 -20.04867 -6.71508 -15.88837 W8 83 0.00000 1520 266 TIP3 H1 -19.41044 -6.26210 -15.33729 W8 83 0.00000 1521 266 TIP3 H2 -20.33156 -6.05442 -16.52061 W8 83 0.00000 1522 267 TIP3 OH2 -13.05220 -2.78523 -25.79823 W8 84 0.00000 1523 267 TIP3 H1 -13.61436 -2.29725 -26.39995 W8 84 0.00000 1524 267 TIP3 H2 -13.34400 -2.51755 -24.92677 W8 84 0.00000 1525 268 TIP3 OH2 -25.78639 -5.77061 -18.12443 W8 85 0.00000 1526 268 TIP3 H1 -26.42737 -6.44796 -18.34021 W8 85 0.00000 1527 268 TIP3 H2 -26.27837 -5.12924 -17.61176 W8 85 0.00000 1528 269 TIP3 OH2 -14.30288 -2.88699 -23.52090 W8 86 0.00000 1529 269 TIP3 H1 -13.87519 -3.48870 -22.91159 W8 86 0.00000 1530 269 TIP3 H2 -14.17108 -2.02094 -23.13514 W8 86 0.00000 1531 270 TIP3 OH2 -17.66599 3.01769 -20.94138 W8 88 0.00000 1532 270 TIP3 H1 -18.39268 3.41295 -20.45980 W8 88 0.00000 1533 270 TIP3 H2 -18.05898 2.70839 -21.75754 W8 88 0.00000 1534 271 TIP3 OH2 -25.07367 -4.84670 -14.99966 W8 91 0.00000 1535 271 TIP3 H1 -25.55673 -4.24593 -15.56707 W8 91 0.00000 1536 271 TIP3 H2 -25.75116 -5.29937 -14.49734 W8 91 0.00000 1537 272 TIP3 OH2 -10.91255 -4.17212 -20.22649 W8 92 0.00000 1538 272 TIP3 H1 -10.70190 -3.80330 -21.08429 W8 92 0.00000 1539 272 TIP3 H2 -10.96403 -3.41344 -19.64512 W8 92 0.00000 1540 273 TIP3 OH2 -21.42857 -8.85117 -12.10519 W8 93 0.00000 1541 273 TIP3 H1 -21.83056 -8.16363 -12.63616 W8 93 0.00000 1542 273 TIP3 H2 -20.52726 -8.55688 -11.97385 W8 93 0.00000 1543 274 TIP3 OH2 -15.28792 1.94338 -15.35061 W8 94 0.00000 1544 274 TIP3 H1 -15.46735 1.31122 -16.04660 W8 94 0.00000 1545 274 TIP3 H2 -14.44356 2.32733 -15.58697 W8 94 0.00000 1546 275 TIP3 OH2 -20.13111 -5.25225 -18.36466 W8 95 0.00000 1547 275 TIP3 H1 -20.65466 -5.07930 -19.14709 W8 95 0.00000 1548 275 TIP3 H2 -19.35128 -5.70055 -18.69197 W8 95 0.00000 1549 276 TIP3 OH2 -23.96687 2.69684 -21.73939 W8 96 0.00000 1550 276 TIP3 H1 -23.73979 3.17014 -20.93899 W8 96 0.00000 1551 276 TIP3 H2 -24.42754 3.34124 -22.27674 W8 96 0.00000 1552 277 TIP3 OH2 -21.95400 0.94547 -22.48710 W8 98 0.00000 1553 277 TIP3 H1 -22.45083 1.61508 -22.01696 W8 98 0.00000 1554 277 TIP3 H2 -22.55906 0.62218 -23.15464 W8 98 0.00000 1555 278 TIP3 OH2 -27.20409 -0.66992 -17.27272 W8 99 0.00000 1556 278 TIP3 H1 -27.09158 -0.06532 -16.53921 W8 99 0.00000 1557 278 TIP3 H2 -27.24621 -1.53540 -16.86605 W8 99 0.00000 1558 279 TIP3 OH2 -24.20268 5.03547 -20.16880 W8 100 0.00000 1559 279 TIP3 H1 -24.90544 5.38840 -20.71449 W8 100 0.00000 1560 279 TIP3 H2 -24.47155 5.23553 -19.27218 W8 100 0.00000 1561 280 TIP3 OH2 -23.34143 -4.25227 -17.61043 W8 101 0.00000 1562 280 TIP3 H1 -24.10033 -4.81313 -17.77076 W8 101 0.00000 1563 280 TIP3 H2 -22.58646 -4.81670 -17.77675 W8 101 0.00000 1564 281 TIP3 OH2 -14.89845 2.91687 -19.16450 W8 102 0.00000 1565 281 TIP3 H1 -15.07247 2.00952 -18.91419 W8 102 0.00000 1566 281 TIP3 H2 -15.55766 3.11279 -19.83030 W8 102 0.00000 1567 282 TIP3 OH2 -24.73278 -3.75009 -11.98035 W8 103 0.00000 1568 282 TIP3 H1 -24.61842 -3.58976 -12.91707 W8 103 0.00000 1569 282 TIP3 H2 -24.35002 -2.98172 -11.55687 W8 103 0.00000 1570 283 TIP3 OH2 -15.36309 0.25850 -18.73015 W8 106 0.00000 1571 283 TIP3 H1 -15.67597 -0.50521 -19.21499 W8 106 0.00000 1572 283 TIP3 H2 -14.92146 -0.10797 -17.96406 W8 106 0.00000 1573 284 TIP3 OH2 -18.17313 6.66302 -22.88057 W8 108 0.00000 1574 284 TIP3 H1 -17.39967 6.44931 -23.40241 W8 108 0.00000 1575 284 TIP3 H2 -18.77829 5.93890 -23.04078 W8 108 0.00000 1576 285 TIP3 OH2 -20.37606 5.09341 -23.05686 W8 109 0.00000 1577 285 TIP3 H1 -20.63158 4.17107 -23.04231 W8 109 0.00000 1578 285 TIP3 H2 -20.88459 5.49447 -22.35204 W8 109 0.00000 1579 286 TIP3 OH2 -14.77673 -4.80949 -26.00398 W8 112 0.00000 1580 286 TIP3 H1 -14.25171 -4.03276 -25.81088 W8 112 0.00000 1581 286 TIP3 H2 -14.98259 -5.17949 -25.14552 W8 112 0.00000 1582 287 TIP3 OH2 -19.61631 4.81280 -19.85033 W8 113 0.00000 1583 287 TIP3 H1 -20.36118 5.38129 -20.04580 W8 113 0.00000 1584 287 TIP3 H2 -18.99493 5.37990 -19.39372 W8 113 0.00000 1585 288 TIP3 OH2 -17.77592 -3.28079 -26.44045 W8 114 0.00000 1586 288 TIP3 H1 -17.43330 -3.24611 -25.54734 W8 114 0.00000 1587 288 TIP3 H2 -18.50002 -3.90522 -26.39562 W8 114 0.00000 1588 289 TIP3 OH2 -16.83932 -6.14656 -27.48444 W8 116 0.00000 1589 289 TIP3 H1 -17.70572 -6.04925 -27.08935 W8 116 0.00000 1590 289 TIP3 H2 -16.24608 -5.71144 -26.87208 W8 116 0.00000 1591 290 TIP3 OH2 -21.72647 6.40805 -20.93508 W8 117 0.00000 1592 290 TIP3 H1 -21.55198 7.22142 -20.46158 W8 117 0.00000 1593 290 TIP3 H2 -22.55019 6.08815 -20.56714 W8 117 0.00000 1594 291 TIP3 OH2 -17.88000 -1.78200 -30.77493 W8 118 0.00000 1595 291 TIP3 H1 -18.46287 -1.39304 -30.12285 W8 118 0.00000 1596 291 TIP3 H2 -17.35265 -2.41001 -30.28123 W8 118 0.00000 1597 292 TIP3 OH2 -17.83908 -6.04287 -19.74485 W8 120 0.00000 1598 292 TIP3 H1 -18.01346 -5.83467 -20.66271 W8 120 0.00000 1599 292 TIP3 H2 -17.63950 -6.97903 -19.74485 W8 120 0.00000 1600 293 TIP3 OH2 -21.89035 6.37634 -25.29761 W8 121 0.00000 1601 293 TIP3 H1 -21.91290 6.46112 -24.34444 W8 121 0.00000 1602 293 TIP3 H2 -20.96010 6.41424 -25.51995 W8 121 0.00000 1603 294 TIP3 OH2 -21.28175 -1.31575 -12.30892 W8 123 0.00000 1604 294 TIP3 H1 -21.17357 -0.37356 -12.17937 W8 123 0.00000 1605 294 TIP3 H2 -20.81934 -1.71405 -11.57152 W8 123 0.00000 1606 295 TIP3 OH2 -17.52779 7.13332 -20.23349 W8 128 0.00000 1607 295 TIP3 H1 -17.96092 6.71295 -20.97639 W8 128 0.00000 1608 295 TIP3 H2 -16.68840 6.67968 -20.15695 W8 128 0.00000 1609 296 TIP3 OH2 -27.06452 -6.01627 -13.54420 W8 129 0.00000 1610 296 TIP3 H1 -27.17501 -6.63241 -14.26835 W8 129 0.00000 1611 296 TIP3 H2 -27.03246 -6.56786 -12.76257 W8 129 0.00000 1612 297 TIP3 OH2 -14.55313 5.32068 -17.20804 W8 130 0.00000 1613 297 TIP3 H1 -14.40140 4.39489 -17.39810 W8 130 0.00000 1614 297 TIP3 H2 -13.76370 5.60342 -16.74640 W8 130 0.00000 1615 298 TIP3 OH2 -19.12480 5.70377 -26.01273 W8 132 0.00000 1616 298 TIP3 H1 -19.17094 4.79918 -26.32227 W8 132 0.00000 1617 298 TIP3 H2 -18.19008 5.86685 -25.88653 W8 132 0.00000 1618 299 TIP3 OH2 -15.72949 4.79391 -21.83445 W8 134 0.00000 1619 299 TIP3 H1 -16.56922 4.40298 -21.59308 W8 134 0.00000 1620 299 TIP3 H2 -15.47105 4.33341 -22.63281 W8 134 0.00000 1621 300 TIP3 OH2 -23.39523 -7.07345 -16.05778 W8 135 0.00000 1622 300 TIP3 H1 -23.01463 -6.84996 -15.20841 W8 135 0.00000 1623 300 TIP3 H2 -24.13630 -6.47523 -16.15357 W8 135 0.00000 1624 301 TIP3 OH2 -19.21995 2.43186 -25.82946 W8 137 0.00000 1625 301 TIP3 H1 -19.82233 1.80511 -26.23016 W8 137 0.00000 1626 301 TIP3 H2 -18.40325 2.32523 -26.31717 W8 137 0.00000 1627 302 TIP3 OH2 -16.76187 2.06208 -26.86588 W8 139 0.00000 1628 302 TIP3 H1 -16.21246 2.63711 -27.39852 W8 139 0.00000 1629 302 TIP3 H2 -16.19432 1.78745 -26.14567 W8 139 0.00000 1630 303 TIP3 OH2 -10.91732 0.87122 -19.22110 W8 141 0.00000 1631 303 TIP3 H1 -10.41607 1.22154 -19.95747 W8 141 0.00000 1632 303 TIP3 H2 -11.05689 1.62369 -18.64618 W8 141 0.00000 1633 304 TIP3 OH2 -23.72104 -9.76359 -16.39353 W8 146 0.00000 1634 304 TIP3 H1 -23.76011 -8.81170 -16.30076 W8 146 0.00000 1635 304 TIP3 H2 -22.96793 -10.02561 -15.86400 W8 146 0.00000 1636 305 TIP3 OH2 -21.06145 8.55570 -19.47373 W8 155 0.00000 1637 305 TIP3 H1 -20.58792 8.25403 -18.69849 W8 155 0.00000 1638 305 TIP3 H2 -21.04606 9.51051 -19.40789 W8 155 0.00000 1639 306 TIP3 OH2 -19.84087 -1.94010 -9.98828 W8 159 0.00000 1640 306 TIP3 H1 -20.54266 -2.43572 -9.56629 W8 159 0.00000 1641 306 TIP3 H2 -19.34268 -1.56413 -9.26255 W8 159 0.00000 1642 307 TIP3 OH2 -21.93566 -4.03107 -9.59405 W8 160 0.00000 1643 307 TIP3 H1 -21.76771 -4.11158 -10.53295 W8 160 0.00000 1644 307 TIP3 H2 -21.89023 -4.92852 -9.26429 W8 160 0.00000 1645 308 TIP3 OH2 -24.65713 -9.41346 -11.88768 W8 161 0.00000 1646 308 TIP3 H1 -25.46220 -9.45767 -12.40355 W8 161 0.00000 1647 308 TIP3 H2 -24.95649 -9.33108 -10.98224 W8 161 0.00000 1648 309 TIP3 OH2 -13.55143 -1.35236 -17.01136 W8 162 0.00000 1649 309 TIP3 H1 -13.20981 -1.43979 -16.12149 W8 162 0.00000 1650 309 TIP3 H2 -13.70586 -2.25229 -17.29864 W8 162 0.00000 1651 310 TIP3 OH2 -13.85536 -3.99711 -17.43798 W8 163 0.00000 1652 310 TIP3 H1 -14.44498 -4.33993 -18.10958 W8 163 0.00000 1653 310 TIP3 H2 -14.02440 -4.54201 -16.66939 W8 163 0.00000 1654 311 TIP3 OH2 -18.24270 -5.35882 -14.09281 W8 164 0.00000 1655 311 TIP3 H1 -17.37399 -5.70153 -13.88274 W8 164 0.00000 1656 311 TIP3 H2 -18.40299 -4.68802 -13.42907 W8 164 0.00000 1657 312 TIP3 OH2 -21.74902 -4.47362 -12.41454 W8 165 0.00000 1658 312 TIP3 H1 -22.70607 -4.45805 -12.42092 W8 165 0.00000 1659 312 TIP3 H2 -21.49790 -4.14513 -13.27782 W8 165 0.00000 1660 313 TIP3 OH2 -11.23752 -1.74673 -18.52816 W8 166 0.00000 1661 313 TIP3 H1 -11.22497 -0.85588 -18.87811 W8 166 0.00000 1662 313 TIP3 H2 -11.93656 -1.73791 -17.87433 W8 166 0.00000 1663 314 TIP3 OH2 -10.45191 -2.07046 -21.95228 W8 167 0.00000 1664 314 TIP3 H1 -10.15650 -1.20479 -21.67020 W8 167 0.00000 1665 314 TIP3 H2 -9.95251 -2.24639 -22.74970 W8 167 0.00000 1666 315 TIP3 OH2 -15.21303 -4.62081 -19.71213 W8 168 0.00000 1667 315 TIP3 H1 -14.98459 -5.18739 -20.44905 W8 168 0.00000 1668 315 TIP3 H2 -16.10505 -4.87814 -19.47910 W8 168 0.00000 1669 316 TIP3 OH2 -21.72484 -10.01858 -14.61478 W8 170 0.00000 1670 316 TIP3 H1 -21.21924 -10.83048 -14.65223 W8 170 0.00000 1671 316 TIP3 H2 -21.63728 -9.72292 -13.70861 W8 170 0.00000 1672 317 TIP3 OH2 -20.48425 -12.37212 -14.78707 W8 171 0.00000 1673 317 TIP3 H1 -20.82319 -12.22652 -15.67033 W8 171 0.00000 1674 317 TIP3 H2 -19.78555 -13.01631 -14.90131 W8 171 0.00000 1675 318 TIP3 OH2 -9.50135 -2.95930 -24.47619 W8 172 0.00000 1676 318 TIP3 H1 -9.39507 -3.83492 -24.10441 W8 172 0.00000 1677 318 TIP3 H2 -10.04948 -3.09189 -25.24963 W8 172 0.00000 1678 319 TIP3 OH2 -13.57525 -5.11093 -22.02926 W8 173 0.00000 1679 319 TIP3 H1 -13.16923 -5.89158 -22.40603 W8 173 0.00000 1680 319 TIP3 H2 -12.95446 -4.81516 -21.36340 W8 173 0.00000 1681 320 TIP3 OH2 -16.98520 -8.55097 -19.42158 W8 174 0.00000 1682 320 TIP3 H1 -16.41106 -8.69764 -18.66985 W8 174 0.00000 1683 320 TIP3 H2 -17.79064 -9.01995 -19.20351 W8 174 0.00000 1684 321 TIP3 OH2 -19.06188 -9.92031 -17.98579 W8 175 0.00000 1685 321 TIP3 H1 -19.95713 -9.70465 -18.24702 W8 175 0.00000 1686 321 TIP3 H2 -18.90040 -9.37907 -17.21301 W8 175 0.00000 1687 322 TIP3 OH2 -12.28604 -7.17227 -23.42892 W8 178 0.00000 1688 322 TIP3 H1 -12.56509 -8.08267 -23.33132 W8 178 0.00000 1689 322 TIP3 H2 -12.18196 -7.05304 -24.37294 W8 178 0.00000 1690 323 TIP3 OH2 -8.74958 -5.43462 -23.29662 W8 182 0.00000 1691 323 TIP3 H1 -7.91746 -5.73619 -23.66113 W8 182 0.00000 1692 323 TIP3 H2 -8.55725 -5.25448 -22.37640 W8 182 0.00000 1693 324 TIP3 OH2 -19.09324 2.15887 -13.57853 W8 184 0.00000 1694 324 TIP3 H1 -18.13705 2.11498 -13.57822 W8 184 0.00000 1695 324 TIP3 H2 -19.34640 1.88365 -12.69740 W8 184 0.00000 1696 325 TIP3 OH2 -29.36930 -0.55297 -19.14984 W8 187 0.00000 1697 325 TIP3 H1 -29.73415 0.31692 -18.98738 W8 187 0.00000 1698 325 TIP3 H2 -28.59357 -0.59611 -18.59072 W8 187 0.00000 1699 326 TIP3 OH2 -28.93445 -3.03026 -14.35662 W8 188 0.00000 1700 326 TIP3 H1 -29.28551 -3.89946 -14.16304 W8 188 0.00000 1701 326 TIP3 H2 -28.25871 -2.89111 -13.69310 W8 188 0.00000 1702 327 TIP3 OH2 -27.29581 -2.45077 -12.18795 W8 189 0.00000 1703 327 TIP3 H1 -26.47357 -2.93819 -12.23856 W8 189 0.00000 1704 327 TIP3 H2 -27.75313 -2.82892 -11.43689 W8 189 0.00000 1705 328 TIP3 OH2 -29.79377 2.01041 -17.64028 W8 192 0.00000 1706 328 TIP3 H1 -30.66358 2.07723 -18.03423 W8 192 0.00000 1707 328 TIP3 H2 -29.49024 2.91577 -17.57377 W8 192 0.00000 1708 329 TIP3 OH2 -26.06642 0.91509 -14.84944 W8 193 0.00000 1709 329 TIP3 H1 -26.11104 1.85604 -15.01925 W8 193 0.00000 1710 329 TIP3 H2 -26.64242 0.77943 -14.09707 W8 193 0.00000 1711 330 TIP3 OH2 -24.77068 -1.23884 -13.73071 W8 194 0.00000 1712 330 TIP3 H1 -25.25158 -0.65009 -14.31238 W8 194 0.00000 1713 330 TIP3 H2 -24.72540 -0.76920 -12.89787 W8 194 0.00000 1714 331 TIP3 OH2 -23.75437 -1.25681 -10.84971 W8 195 0.00000 1715 331 TIP3 H1 -24.04053 -0.44528 -10.43049 W8 195 0.00000 1716 331 TIP3 H2 -22.93540 -1.02491 -11.28757 W8 195 0.00000 1717 332 TIP3 OH2 -27.33574 3.11231 -20.91407 W8 197 0.00000 1718 332 TIP3 H1 -27.28934 2.46138 -21.61433 W8 197 0.00000 1719 332 TIP3 H2 -27.14370 2.62017 -20.11585 W8 197 0.00000 1720 333 TIP3 OH2 -26.36675 2.01398 -18.62635 W8 198 0.00000 1721 333 TIP3 H1 -25.73773 1.54233 -19.17234 W8 198 0.00000 1722 333 TIP3 H2 -26.94860 1.33339 -18.28803 W8 198 0.00000 1723 334 TIP3 OH2 -14.69454 -11.19344 -23.92564 W8 200 0.00000 1724 334 TIP3 H1 -14.13994 -10.69506 -23.32540 W8 200 0.00000 1725 334 TIP3 H2 -15.22036 -10.53042 -24.37301 W8 200 0.00000 1726 335 TIP3 OH2 -12.81153 -9.89860 -22.57067 W8 201 0.00000 1727 335 TIP3 H1 -11.88112 -10.09437 -22.68133 W8 201 0.00000 1728 335 TIP3 H2 -12.86466 -9.45686 -21.72315 W8 201 0.00000 1729 336 TIP3 OH2 -12.32482 -6.98801 -26.18256 W8 206 0.00000 1730 336 TIP3 H1 -12.85848 -6.20386 -26.31116 W8 206 0.00000 1731 336 TIP3 H2 -12.42967 -7.48533 -26.99365 W8 206 0.00000 1732 337 TIP3 OH2 -16.54249 -3.41494 -28.82750 W8 209 0.00000 1733 337 TIP3 H1 -16.66342 -4.36068 -28.91225 W8 209 0.00000 1734 337 TIP3 H2 -17.16741 -3.15271 -28.15154 W8 209 0.00000 1735 338 TIP3 OH2 -19.20348 6.99410 -18.14441 W8 210 0.00000 1736 338 TIP3 H1 -18.62959 7.06871 -17.38196 W8 210 0.00000 1737 338 TIP3 H2 -18.67895 7.32615 -18.87300 W8 210 0.00000 1738 339 TIP3 OH2 -16.37126 2.68039 -13.07005 W8 211 0.00000 1739 339 TIP3 H1 -15.87483 2.62332 -13.88645 W8 211 0.00000 1740 339 TIP3 H2 -16.26111 3.58754 -12.78510 W8 211 0.00000 1741 340 TIP3 OH2 -24.57671 -5.99144 -10.37408 W8 216 0.00000 1742 340 TIP3 H1 -24.68923 -5.50835 -11.19274 W8 216 0.00000 1743 340 TIP3 H2 -25.07936 -5.49265 -9.73005 W8 216 0.00000 1744 341 TIP3 OH2 -25.26871 -9.50109 -9.28292 W9 46 0.00000 1745 341 TIP3 H1 -25.64651 -9.01322 -8.55117 W9 46 0.00000 1746 341 TIP3 H2 -24.52581 -9.96884 -8.90143 W9 46 0.00000 1747 342 TIP3 OH2 -29.67953 -6.59327 -10.29957 W9 53 0.00000 1748 342 TIP3 H1 -28.86768 -6.90065 -10.70285 W9 53 0.00000 1749 342 TIP3 H2 -30.19886 -7.38691 -10.17051 W9 53 0.00000 1750 343 TIP3 OH2 -27.85859 -10.62729 -9.06528 W9 94 0.00000 1751 343 TIP3 H1 -28.03802 -11.25945 -9.76127 W9 94 0.00000 1752 343 TIP3 H2 -27.01423 -10.24334 -9.30164 W9 94 0.00000 1753 344 TIP3 OH2 -26.09392 -8.30279 -6.82370 W9 104 0.00000 1754 344 TIP3 H1 -25.70018 -8.06679 -5.98375 W9 104 0.00000 1755 344 TIP3 H2 -26.96840 -7.91450 -6.79636 W9 104 0.00000 1756 345 TIP3 OH2 -30.09846 -5.43735 -13.94816 W9 128 0.00000 1757 345 TIP3 H1 -30.53160 -5.85773 -14.69107 W9 128 0.00000 1758 345 TIP3 H2 -29.25908 -5.89100 -13.87163 W9 128 0.00000 1759 346 TIP3 OH2 -27.12380 -7.24999 -10.92271 W9 130 0.00000 1760 346 TIP3 H1 -26.97207 -8.17578 -11.11277 W9 130 0.00000 1761 346 TIP3 H2 -26.33438 -6.96726 -10.46108 W9 130 0.00000 1762 347 TIP3 OH2 -23.48800 -11.69946 -12.93578 W9 141 0.00000 1763 347 TIP3 H1 -22.98675 -11.34914 -13.67215 W9 141 0.00000 1764 347 TIP3 H2 -23.62757 -10.94699 -12.36086 W9 141 0.00000 1765 348 TIP3 OH2 -33.63212 -4.01497 -13.18840 W9 155 0.00000 1766 348 TIP3 H1 -33.15859 -4.31664 -12.41316 W9 155 0.00000 1767 348 TIP3 H2 -33.61673 -3.06016 -13.12256 W9 155 0.00000 1768 349 TIP3 OH2 -23.80819 -14.31740 -12.24283 W9 166 0.00000 1769 349 TIP3 H1 -23.79565 -13.42656 -12.59279 W9 166 0.00000 1770 349 TIP3 H2 -24.50723 -14.30858 -11.58900 W9 166 0.00000 1771 350 TIP3 OH2 -31.66391 -10.41180 -7.29320 W9 184 0.00000 1772 350 TIP3 H1 -30.70773 -10.45570 -7.29290 W9 184 0.00000 1773 350 TIP3 H2 -31.91708 -10.68703 -6.41208 W9 184 0.00000 1774 351 TIP3 OH2 -31.77415 -5.57657 -11.85908 W9 210 0.00000 1775 351 TIP3 H1 -31.20027 -5.50197 -11.09664 W9 210 0.00000 1776 351 TIP3 H2 -31.24962 -5.24452 -12.58767 W9 210 0.00000 1777 352 TIP3 OH2 -28.94193 -9.89028 -6.78472 W9 211 0.00000 1778 352 TIP3 H1 -28.44550 -9.94735 -7.60112 W9 211 0.00000 1779 352 TIP3 H2 -28.83178 -8.98313 -6.49977 W9 211 0.00000 1780 353 TIP3 OH2 3.10046 26.18132 -19.66147 W10 10 0.00000 1781 353 TIP3 H1 2.43930 26.08106 -18.97660 W10 10 0.00000 1782 353 TIP3 H2 3.71237 26.82881 -19.31136 W10 10 0.00000 1783 354 TIP3 OH2 1.37814 25.54546 -17.66989 W10 16 0.00000 1784 354 TIP3 H1 0.76332 26.27725 -17.72198 W10 16 0.00000 1785 354 TIP3 H2 0.82983 24.78448 -17.47887 W10 16 0.00000 1786 355 TIP3 OH2 -2.67608 25.60172 -17.21940 W10 55 0.00000 1787 355 TIP3 H1 -2.62736 26.53832 -17.41079 W10 55 0.00000 1788 355 TIP3 H2 -2.14195 25.18988 -17.89859 W10 55 0.00000 1789 356 TIP3 OH2 -0.73728 24.76693 -19.34488 W10 119 0.00000 1790 356 TIP3 H1 -1.37720 25.30560 -19.81026 W10 119 0.00000 1791 356 TIP3 H2 0.08507 25.25068 -19.42210 W10 119 0.00000 1792 357 TIP3 OH2 -6.09515 25.24650 -18.48943 W10 145 0.00000 1793 357 TIP3 H1 -5.58234 24.63612 -19.01923 W10 145 0.00000 1794 357 TIP3 H2 -5.65807 25.25090 -17.63786 W10 145 0.00000 1795 358 TIP3 OH2 -4.44723 22.75724 -20.74905 W10 151 0.00000 1796 358 TIP3 H1 -4.19048 22.15854 -21.45038 W10 151 0.00000 1797 358 TIP3 H2 -5.32495 22.46989 -20.49754 W10 151 0.00000 1798 359 TIP3 OH2 -1.62823 25.33990 -14.78705 W10 171 0.00000 1799 359 TIP3 H1 -1.96717 25.48550 -15.67031 W10 171 0.00000 1800 359 TIP3 H2 -0.92953 24.69571 -14.90129 W10 171 0.00000 1801 360 TIP3 OH2 -0.24610 19.44833 -18.69249 W10 177 0.00000 1802 360 TIP3 H1 0.60861 19.29969 -19.09696 W10 177 0.00000 1803 360 TIP3 H2 -0.13411 20.25078 -18.18283 W10 177 0.00000 1804 361 TIP3 OH2 -0.16886 22.11531 -18.15666 W10 181 0.00000 1805 361 TIP3 H1 -0.84695 22.62536 -18.59969 W10 181 0.00000 1806 361 TIP3 H2 0.61418 22.24025 -18.69281 W10 181 0.00000 1807 362 TIP3 OH2 1.25561 22.62882 -20.82348 W10 190 0.00000 1808 362 TIP3 H1 0.86385 23.37474 -21.27774 W10 190 0.00000 1809 362 TIP3 H2 2.01962 22.39983 -21.35271 W10 190 0.00000 1810 363 TIP3 OH2 -3.35228 21.19247 -22.77070 W10 215 0.00000 1811 363 TIP3 H1 -3.72834 20.31376 -22.71892 W10 215 0.00000 1812 363 TIP3 H2 -2.53257 21.13199 -22.28017 W10 215 0.00000 1813 364 TIP3 OH2 -12.57397 23.20370 -14.45418 W11 1 0.00000 1814 364 TIP3 H1 -12.74097 23.89141 -13.80965 W11 1 0.00000 1815 364 TIP3 H2 -12.46897 23.67158 -15.28260 W11 1 0.00000 1816 365 TIP3 OH2 -15.31612 20.78349 -14.52244 W11 2 0.00000 1817 365 TIP3 H1 -15.59614 19.89535 -14.74387 W11 2 0.00000 1818 365 TIP3 H2 -14.86141 21.09399 -15.30542 W11 2 0.00000 1819 366 TIP3 OH2 -12.69279 22.63984 -10.65856 W11 4 0.00000 1820 366 TIP3 H1 -13.04685 22.00611 -11.28246 W11 4 0.00000 1821 366 TIP3 H2 -13.36156 22.70482 -9.97684 W11 4 0.00000 1822 367 TIP3 OH2 -17.47127 22.67104 -13.83935 W11 9 0.00000 1823 367 TIP3 H1 -16.64373 22.50893 -14.29226 W11 9 0.00000 1824 367 TIP3 H2 -17.44183 22.09795 -13.07324 W11 9 0.00000 1825 368 TIP3 OH2 -9.47021 13.61065 -13.37614 W11 10 0.00000 1826 368 TIP3 H1 -10.13138 13.51038 -12.69128 W11 10 0.00000 1827 368 TIP3 H2 -8.85831 14.25813 -13.02604 W11 10 0.00000 1828 369 TIP3 OH2 -13.72721 17.66864 -15.37357 W11 11 0.00000 1829 369 TIP3 H1 -13.33015 16.97681 -15.90265 W11 11 0.00000 1830 369 TIP3 H2 -13.24793 18.46100 -15.61582 W11 11 0.00000 1831 370 TIP3 OH2 -15.83952 20.50314 -22.11176 W11 12 0.00000 1832 370 TIP3 H1 -15.81849 21.34091 -21.64925 W11 12 0.00000 1833 370 TIP3 H2 -15.53795 20.70977 -22.99640 W11 12 0.00000 1834 371 TIP3 OH2 -9.66875 19.08220 -17.40960 W11 13 0.00000 1835 371 TIP3 H1 -9.54474 18.23110 -16.98951 W11 13 0.00000 1836 371 TIP3 H2 -9.08618 19.67273 -16.93199 W11 13 0.00000 1837 372 TIP3 OH2 -15.95555 22.55722 -18.30379 W11 15 0.00000 1838 372 TIP3 H1 -15.70893 21.66128 -18.07423 W11 15 0.00000 1839 372 TIP3 H2 -15.86383 22.59493 -19.25584 W11 15 0.00000 1840 373 TIP3 OH2 -11.19253 12.97479 -11.38456 W11 16 0.00000 1841 373 TIP3 H1 -11.80735 13.70658 -11.43665 W11 16 0.00000 1842 373 TIP3 H2 -11.74085 12.21380 -11.19355 W11 16 0.00000 1843 374 TIP3 OH2 -20.02540 21.53134 -15.34278 W11 19 0.00000 1844 374 TIP3 H1 -20.78719 22.10779 -15.40290 W11 19 0.00000 1845 374 TIP3 H2 -19.52366 21.87309 -14.60272 W11 19 0.00000 1846 375 TIP3 OH2 -9.57689 16.70115 -16.04622 W11 20 0.00000 1847 375 TIP3 H1 -9.82020 15.90738 -16.52259 W11 20 0.00000 1848 375 TIP3 H2 -9.63912 16.45564 -15.12314 W11 20 0.00000 1849 376 TIP3 OH2 -18.52445 20.22431 -21.96037 W11 21 0.00000 1850 376 TIP3 H1 -18.57511 20.19278 -21.00503 W11 21 0.00000 1851 376 TIP3 H2 -17.58803 20.17616 -22.15276 W11 21 0.00000 1852 377 TIP3 OH2 -14.52992 22.13001 -8.30869 W11 24 0.00000 1853 377 TIP3 H1 -15.28493 22.37502 -8.84362 W11 24 0.00000 1854 377 TIP3 H2 -14.55618 22.73319 -7.56593 W11 24 0.00000 1855 378 TIP3 OH2 -11.36989 13.27587 -15.44474 W11 25 0.00000 1856 378 TIP3 H1 -12.03894 13.95361 -15.54095 W11 25 0.00000 1857 378 TIP3 H2 -10.70169 13.67557 -14.88800 W11 25 0.00000 1858 379 TIP3 OH2 -13.70725 16.02210 -22.22957 W11 26 0.00000 1859 379 TIP3 H1 -13.43339 15.46514 -22.95828 W11 26 0.00000 1860 379 TIP3 H2 -14.57018 16.34677 -22.48678 W11 26 0.00000 1861 380 TIP3 OH2 -11.57202 25.35834 -10.53477 W11 28 0.00000 1862 380 TIP3 H1 -11.10610 25.39179 -11.37025 W11 28 0.00000 1863 380 TIP3 H2 -11.94073 24.47567 -10.50077 W11 28 0.00000 1864 381 TIP3 OH2 -15.62180 18.18921 -7.54053 W11 29 0.00000 1865 381 TIP3 H1 -14.83859 18.24104 -8.08837 W11 29 0.00000 1866 381 TIP3 H2 -15.56373 18.95259 -6.96599 W11 29 0.00000 1867 382 TIP3 OH2 -11.88447 16.42441 -9.39736 W11 32 0.00000 1868 382 TIP3 H1 -12.61044 17.04559 -9.33968 W11 32 0.00000 1869 382 TIP3 H2 -11.10459 16.94935 -9.21723 W11 32 0.00000 1870 383 TIP3 OH2 -9.90948 23.19450 -13.93274 W11 33 0.00000 1871 383 TIP3 H1 -10.85557 23.20868 -14.07740 W11 33 0.00000 1872 383 TIP3 H2 -9.67659 22.26644 -13.95883 W11 33 0.00000 1873 384 TIP3 OH2 -15.41447 15.96642 -12.19577 W11 34 0.00000 1874 384 TIP3 H1 -15.99691 16.06751 -11.44292 W11 34 0.00000 1875 384 TIP3 H2 -15.44804 16.81332 -12.64059 W11 34 0.00000 1876 385 TIP3 OH2 -18.71193 21.77931 -17.82001 W11 37 0.00000 1877 385 TIP3 H1 -17.86698 22.18043 -17.61652 W11 37 0.00000 1878 385 TIP3 H2 -19.13773 21.67212 -16.96946 W11 37 0.00000 1879 386 TIP3 OH2 -16.82954 22.85567 -9.70038 W11 38 0.00000 1880 386 TIP3 H1 -17.64248 22.94538 -9.20309 W11 38 0.00000 1881 386 TIP3 H2 -16.96681 22.08210 -10.24717 W11 38 0.00000 1882 387 TIP3 OH2 -22.73643 21.27401 -12.72805 W11 39 0.00000 1883 387 TIP3 H1 -23.50825 21.59576 -12.26223 W11 39 0.00000 1884 387 TIP3 H2 -22.66152 21.84581 -13.49203 W11 39 0.00000 1885 388 TIP3 OH2 -8.83969 24.55563 -16.01554 W11 40 0.00000 1886 388 TIP3 H1 -9.00126 23.96454 -15.28019 W11 40 0.00000 1887 388 TIP3 H2 -8.23836 25.21370 -15.66683 W11 40 0.00000 1888 389 TIP3 OH2 -3.49912 17.94740 -19.11196 W11 44 0.00000 1889 389 TIP3 H1 -4.34208 18.14327 -19.52096 W11 44 0.00000 1890 389 TIP3 H2 -3.34049 18.68565 -18.52370 W11 44 0.00000 1891 390 TIP3 OH2 -15.86350 18.07303 -3.52429 W11 49 0.00000 1892 390 TIP3 H1 -15.55316 17.47750 -4.20638 W11 49 0.00000 1893 390 TIP3 H2 -16.77145 18.25938 -3.76333 W11 49 0.00000 1894 391 TIP3 OH2 -20.98664 21.54541 -10.19737 W11 50 0.00000 1895 391 TIP3 H1 -21.52043 21.75062 -9.42979 W11 50 0.00000 1896 391 TIP3 H2 -21.61838 21.44754 -10.90980 W11 50 0.00000 1897 392 TIP3 OH2 -15.24675 13.03105 -10.93407 W11 55 0.00000 1898 392 TIP3 H1 -15.19804 13.96764 -11.12547 W11 55 0.00000 1899 392 TIP3 H2 -14.71262 12.61921 -11.61326 W11 55 0.00000 1900 393 TIP3 OH2 -16.34764 17.01640 -23.18888 W11 57 0.00000 1901 393 TIP3 H1 -16.62120 17.51729 -23.95733 W11 57 0.00000 1902 393 TIP3 H2 -16.93311 17.30937 -22.49058 W11 57 0.00000 1903 394 TIP3 OH2 -15.39627 13.02703 -19.14077 W11 58 0.00000 1904 394 TIP3 H1 -15.47967 12.10803 -18.88640 W11 58 0.00000 1905 394 TIP3 H2 -16.03687 13.14080 -19.84284 W11 58 0.00000 1906 395 TIP3 OH2 -14.99942 13.85291 -14.13495 W11 59 0.00000 1907 395 TIP3 H1 -15.83192 13.40868 -14.29563 W11 59 0.00000 1908 395 TIP3 H2 -15.24428 14.67589 -13.71188 W11 59 0.00000 1909 396 TIP3 OH2 -7.97595 23.27796 -21.94303 W11 61 0.00000 1910 396 TIP3 H1 -8.76655 22.76004 -21.79166 W11 61 0.00000 1911 396 TIP3 H2 -7.65573 22.98351 -22.79565 W11 61 0.00000 1912 397 TIP3 OH2 -18.67213 19.56635 -19.45290 W11 62 0.00000 1913 397 TIP3 H1 -19.55924 19.28076 -19.67127 W11 62 0.00000 1914 397 TIP3 H2 -18.79769 20.33006 -18.88969 W11 62 0.00000 1915 398 TIP3 OH2 -11.01556 22.32750 -17.43021 W11 64 0.00000 1916 398 TIP3 H1 -11.36548 23.20141 -17.25679 W11 64 0.00000 1917 398 TIP3 H2 -10.07895 22.40350 -17.24788 W11 64 0.00000 1918 399 TIP3 OH2 -19.33138 15.08516 -14.08232 W11 65 0.00000 1919 399 TIP3 H1 -19.68537 14.58895 -14.82037 W11 65 0.00000 1920 399 TIP3 H2 -19.05206 14.41733 -13.45605 W11 65 0.00000 1921 400 TIP3 OH2 -12.03704 19.74729 -16.19168 W11 66 0.00000 1922 400 TIP3 H1 -11.89267 20.69289 -16.15657 W11 66 0.00000 1923 400 TIP3 H2 -11.34879 19.42080 -16.77128 W11 66 0.00000 1924 401 TIP3 OH2 -16.18796 17.97058 -14.03323 W11 71 0.00000 1925 401 TIP3 H1 -15.33333 17.87070 -14.45258 W11 71 0.00000 1926 401 TIP3 H2 -16.74357 17.32026 -14.46288 W11 71 0.00000 1927 402 TIP3 OH2 -13.50170 19.80710 -20.63530 W11 72 0.00000 1928 402 TIP3 H1 -14.32025 19.95612 -21.10857 W11 72 0.00000 1929 402 TIP3 H2 -13.68517 19.05789 -20.06850 W11 72 0.00000 1930 403 TIP3 OH2 -12.48590 15.65234 -17.12069 W11 75 0.00000 1931 403 TIP3 H1 -13.42355 15.52284 -17.26306 W11 75 0.00000 1932 403 TIP3 H2 -12.21774 16.25096 -17.81781 W11 75 0.00000 1933 404 TIP3 OH2 -19.70258 20.81969 -2.38907 W11 77 0.00000 1934 404 TIP3 H1 -19.15441 21.59218 -2.25118 W11 77 0.00000 1935 404 TIP3 H2 -19.78496 20.42576 -1.52059 W11 77 0.00000 1936 405 TIP3 OH2 -14.80879 19.96734 -17.26813 W11 79 0.00000 1937 405 TIP3 H1 -13.88576 19.77969 -17.43848 W11 79 0.00000 1938 405 TIP3 H2 -15.25913 19.14285 -17.45152 W11 79 0.00000 1939 406 TIP3 OH2 -14.46534 21.44543 -24.36959 W11 80 0.00000 1940 406 TIP3 H1 -14.35224 20.97311 -25.19442 W11 80 0.00000 1941 406 TIP3 H2 -13.57642 21.55468 -24.03177 W11 80 0.00000 1942 407 TIP3 OH2 -16.79663 17.74152 -18.45332 W11 81 0.00000 1943 407 TIP3 H1 -17.57842 18.24915 -18.67092 W11 81 0.00000 1944 407 TIP3 H2 -17.04053 17.24941 -17.66938 W11 81 0.00000 1945 408 TIP3 OH2 -13.76332 18.42627 -9.60302 W11 83 0.00000 1946 408 TIP3 H1 -13.12509 18.87925 -9.05194 W11 83 0.00000 1947 408 TIP3 H2 -14.04622 19.08692 -10.23527 W11 83 0.00000 1948 409 TIP3 OH2 -6.76685 22.35612 -19.51288 W11 84 0.00000 1949 409 TIP3 H1 -7.32901 22.84410 -20.11460 W11 84 0.00000 1950 409 TIP3 H2 -7.05865 22.62380 -18.64142 W11 84 0.00000 1951 410 TIP3 OH2 -19.50105 19.37073 -11.83909 W11 85 0.00000 1952 410 TIP3 H1 -20.14203 18.69338 -12.05487 W11 85 0.00000 1953 410 TIP3 H2 -19.99302 20.01211 -11.32641 W11 85 0.00000 1954 411 TIP3 OH2 -8.01753 22.25436 -17.23555 W11 86 0.00000 1955 411 TIP3 H1 -7.58985 21.65264 -16.62625 W11 86 0.00000 1956 411 TIP3 H2 -7.88573 23.12041 -16.84979 W11 86 0.00000 1957 412 TIP3 OH2 -21.48425 16.84580 -14.67324 W11 90 0.00000 1958 412 TIP3 H1 -21.02957 17.43070 -15.27935 W11 90 0.00000 1959 412 TIP3 H2 -20.78284 16.39572 -14.20241 W11 90 0.00000 1960 413 TIP3 OH2 -18.78832 20.29465 -8.71431 W11 91 0.00000 1961 413 TIP3 H1 -19.27138 20.89542 -9.28172 W11 91 0.00000 1962 413 TIP3 H2 -19.46581 19.84198 -8.21199 W11 91 0.00000 1963 414 TIP3 OH2 -4.62720 20.96923 -13.94114 W11 92 0.00000 1964 414 TIP3 H1 -4.41655 21.33805 -14.79894 W11 92 0.00000 1965 414 TIP3 H2 -4.67869 21.72790 -13.35978 W11 92 0.00000 1966 415 TIP3 OH2 -15.14323 16.29017 -5.81985 W11 93 0.00000 1967 415 TIP3 H1 -15.54521 16.97772 -6.35081 W11 93 0.00000 1968 415 TIP3 H2 -14.24191 16.58447 -5.68850 W11 93 0.00000 1969 416 TIP3 OH2 -13.84576 19.88910 -12.07931 W11 95 0.00000 1970 416 TIP3 H1 -14.36932 20.06204 -12.86175 W11 95 0.00000 1971 416 TIP3 H2 -13.06594 19.44079 -12.40663 W11 95 0.00000 1972 417 TIP3 OH2 -17.05608 20.88908 -11.32508 W11 101 0.00000 1973 417 TIP3 H1 -17.81499 20.32821 -11.48542 W11 101 0.00000 1974 417 TIP3 H2 -16.30111 20.32465 -11.49140 W11 101 0.00000 1975 418 TIP3 OH2 -18.44744 21.39125 -5.69501 W11 103 0.00000 1976 418 TIP3 H1 -18.33307 21.55159 -6.63172 W11 103 0.00000 1977 418 TIP3 H2 -18.06468 22.15962 -5.27153 W11 103 0.00000 1978 419 TIP3 OH2 -9.07774 25.39985 -12.44480 W11 106 0.00000 1979 419 TIP3 H1 -9.39062 24.63614 -12.92964 W11 106 0.00000 1980 419 TIP3 H2 -8.63612 25.03337 -11.67872 W11 106 0.00000 1981 420 TIP3 OH2 -15.06550 14.89006 -17.04215 W11 111 0.00000 1982 420 TIP3 H1 -15.05758 14.27306 -16.31039 W11 111 0.00000 1983 420 TIP3 H2 -15.13410 14.33782 -17.82096 W11 111 0.00000 1984 421 TIP3 OH2 -8.49138 20.33186 -19.71863 W11 112 0.00000 1985 421 TIP3 H1 -7.96637 21.10858 -19.52554 W11 112 0.00000 1986 421 TIP3 H2 -8.69724 19.96186 -18.86017 W11 112 0.00000 1987 422 TIP3 OH2 -11.49058 21.86055 -20.15511 W11 114 0.00000 1988 422 TIP3 H1 -11.14796 21.89523 -19.26200 W11 114 0.00000 1989 422 TIP3 H2 -12.21467 21.23613 -20.11027 W11 114 0.00000 1990 423 TIP3 OH2 -17.58535 16.21641 -16.07895 W11 115 0.00000 1991 423 TIP3 H1 -18.20187 16.05440 -15.36489 W11 115 0.00000 1992 423 TIP3 H2 -16.99554 15.46270 -16.06242 W11 115 0.00000 1993 424 TIP3 OH2 -10.55397 18.99479 -21.19909 W11 116 0.00000 1994 424 TIP3 H1 -11.42038 19.09209 -20.80401 W11 116 0.00000 1995 424 TIP3 H2 -9.96073 19.42991 -20.58673 W11 116 0.00000 1996 425 TIP3 OH2 -13.30795 12.19626 -13.05955 W11 119 0.00000 1997 425 TIP3 H1 -13.94787 12.73493 -13.52493 W11 119 0.00000 1998 425 TIP3 H2 -12.48560 12.68001 -13.13677 W11 119 0.00000 1999 426 TIP3 OH2 -11.55374 19.09847 -13.45951 W11 120 0.00000 2000 426 TIP3 H1 -11.72812 19.30667 -14.37737 W11 120 0.00000 2001 426 TIP3 H2 -11.35415 18.16232 -13.45950 W11 120 0.00000 2002 427 TIP3 OH2 -14.99641 23.82559 -6.02358 W11 123 0.00000 2003 427 TIP3 H1 -14.88822 24.76779 -5.89402 W11 123 0.00000 2004 427 TIP3 H2 -14.53400 23.42729 -5.28618 W11 123 0.00000 2005 428 TIP3 OH2 -26.55095 21.55006 -10.13989 W11 127 0.00000 2006 428 TIP3 H1 -26.11345 20.76092 -9.82039 W11 127 0.00000 2007 428 TIP3 H2 -25.86994 22.02643 -10.61478 W11 127 0.00000 2008 429 TIP3 OH2 -20.77917 19.12508 -7.25885 W11 129 0.00000 2009 429 TIP3 H1 -20.88967 18.50893 -7.98301 W11 129 0.00000 2010 429 TIP3 H2 -20.74712 18.57348 -6.47723 W11 129 0.00000 2011 430 TIP3 OH2 -22.70550 18.29107 -12.66701 W11 133 0.00000 2012 430 TIP3 H1 -22.44334 19.15266 -12.99130 W11 133 0.00000 2013 430 TIP3 H2 -22.23228 17.67145 -13.22231 W11 133 0.00000 2014 431 TIP3 OH2 -17.10988 18.06790 -9.77243 W11 135 0.00000 2015 431 TIP3 H1 -16.72928 18.29139 -8.92306 W11 135 0.00000 2016 431 TIP3 H2 -17.85096 18.66611 -9.86823 W11 135 0.00000 2017 432 TIP3 OH2 -20.94354 18.16805 -17.30438 W11 138 0.00000 2018 432 TIP3 H1 -21.76766 18.63698 -17.17337 W11 138 0.00000 2019 432 TIP3 H2 -20.26567 18.82319 -17.13850 W11 138 0.00000 2020 433 TIP3 OH2 -20.60582 15.95748 -11.21765 W11 140 0.00000 2021 433 TIP3 H1 -19.98011 15.71398 -10.53543 W11 140 0.00000 2022 433 TIP3 H2 -20.88857 15.12345 -11.59273 W11 140 0.00000 2023 434 TIP3 OH2 -4.63198 26.01256 -12.93576 W11 141 0.00000 2024 434 TIP3 H1 -4.13073 26.36288 -13.67213 W11 141 0.00000 2025 434 TIP3 H2 -4.77155 26.76503 -12.36084 W11 141 0.00000 2026 435 TIP3 OH2 -20.55719 15.57011 -18.48064 W11 142 0.00000 2027 435 TIP3 H1 -19.81282 15.43552 -19.06717 W11 142 0.00000 2028 435 TIP3 H2 -20.44223 16.46000 -18.14729 W11 142 0.00000 2029 436 TIP3 OH2 -18.06716 16.01715 -20.12829 W11 143 0.00000 2030 436 TIP3 H1 -17.42584 16.57439 -19.68737 W11 143 0.00000 2031 436 TIP3 H2 -18.31746 16.51087 -20.90920 W11 143 0.00000 2032 437 TIP3 OH2 -18.98549 18.95660 -15.36748 W11 144 0.00000 2033 437 TIP3 H1 -18.05094 18.98442 -15.16240 W11 144 0.00000 2034 437 TIP3 H2 -19.31185 19.82107 -15.11763 W11 144 0.00000 2035 438 TIP3 OH2 -18.66582 12.67583 -12.20410 W11 145 0.00000 2036 438 TIP3 H1 -18.15302 12.06544 -12.73391 W11 145 0.00000 2037 438 TIP3 H2 -18.22875 12.68022 -11.35254 W11 145 0.00000 2038 439 TIP3 OH2 -17.43569 15.37776 -10.10818 W11 146 0.00000 2039 439 TIP3 H1 -17.47477 16.32964 -10.01542 W11 146 0.00000 2040 439 TIP3 H2 -16.68259 15.11573 -9.57866 W11 146 0.00000 2041 440 TIP3 OH2 -23.24526 15.60176 -18.05880 W11 147 0.00000 2042 440 TIP3 H1 -23.43900 15.64260 -18.99530 W11 147 0.00000 2043 440 TIP3 H2 -22.28976 15.56840 -18.01263 W11 147 0.00000 2044 441 TIP3 OH2 -16.96989 13.76544 -21.14309 W11 148 0.00000 2045 441 TIP3 H1 -17.28044 14.49925 -20.61270 W11 148 0.00000 2046 441 TIP3 H2 -17.02351 14.08158 -22.04498 W11 148 0.00000 2047 442 TIP3 OH2 -19.94360 13.84922 -16.23142 W11 149 0.00000 2048 442 TIP3 H1 -20.62846 13.18049 -16.23412 W11 149 0.00000 2049 442 TIP3 H2 -20.05701 14.31224 -17.06146 W11 149 0.00000 2050 443 TIP3 OH2 -17.22584 12.97867 -15.31096 W11 150 0.00000 2051 443 TIP3 H1 -17.95636 13.22758 -15.87718 W11 150 0.00000 2052 443 TIP3 H2 -17.24485 12.02170 -15.30144 W11 150 0.00000 2053 444 TIP3 OH2 -17.01791 10.18656 -14.46373 W11 151 0.00000 2054 444 TIP3 H1 -16.76116 9.58786 -15.16506 W11 151 0.00000 2055 444 TIP3 H2 -17.89563 9.89921 -14.21222 W11 151 0.00000 2056 445 TIP3 OH2 -18.36746 11.43980 -20.57564 W11 153 0.00000 2057 445 TIP3 H1 -17.67024 10.78540 -20.53229 W11 153 0.00000 2058 445 TIP3 H2 -17.91458 12.26047 -20.76962 W11 153 0.00000 2059 446 TIP3 OH2 -20.06166 11.07469 -18.53337 W11 154 0.00000 2060 446 TIP3 H1 -19.44420 11.34831 -19.21168 W11 154 0.00000 2061 446 TIP3 H2 -20.67242 11.80755 -18.45506 W11 154 0.00000 2062 447 TIP3 OH2 -13.55552 23.20125 -3.70293 W11 159 0.00000 2063 447 TIP3 H1 -14.25732 22.70562 -3.28095 W11 159 0.00000 2064 447 TIP3 H2 -13.05734 23.57721 -2.97721 W11 159 0.00000 2065 448 TIP3 OH2 -15.65031 21.11028 -3.30870 W11 160 0.00000 2066 448 TIP3 H1 -15.48236 21.02977 -4.24760 W11 160 0.00000 2067 448 TIP3 H2 -15.60489 20.21282 -2.97895 W11 160 0.00000 2068 449 TIP3 OH2 -18.37178 15.72789 -5.60233 W11 161 0.00000 2069 449 TIP3 H1 -19.17685 15.68368 -6.11820 W11 161 0.00000 2070 449 TIP3 H2 -18.67115 15.81026 -4.69690 W11 161 0.00000 2071 450 TIP3 OH2 -7.26609 23.78898 -10.72602 W11 162 0.00000 2072 450 TIP3 H1 -6.92446 23.70156 -9.83614 W11 162 0.00000 2073 450 TIP3 H2 -7.42051 22.88906 -11.01329 W11 162 0.00000 2074 451 TIP3 OH2 -7.57001 21.14424 -11.15263 W11 163 0.00000 2075 451 TIP3 H1 -8.15963 20.80142 -11.82423 W11 163 0.00000 2076 451 TIP3 H2 -7.73905 20.59934 -10.38404 W11 163 0.00000 2077 452 TIP3 OH2 -11.95735 19.78253 -7.80746 W11 164 0.00000 2078 452 TIP3 H1 -11.08865 19.43981 -7.59740 W11 164 0.00000 2079 452 TIP3 H2 -12.11765 20.45332 -7.14373 W11 164 0.00000 2080 453 TIP3 OH2 -15.46368 20.66772 -6.12920 W11 165 0.00000 2081 453 TIP3 H1 -16.42072 20.68330 -6.13557 W11 165 0.00000 2082 453 TIP3 H2 -15.21255 20.99622 -6.99247 W11 165 0.00000 2083 454 TIP3 OH2 -4.95217 23.39462 -12.24281 W11 166 0.00000 2084 454 TIP3 H1 -4.93963 24.28546 -12.59277 W11 166 0.00000 2085 454 TIP3 H2 -5.65121 23.40344 -11.58898 W11 166 0.00000 2086 455 TIP3 OH2 -4.16657 23.07088 -15.66694 W11 167 0.00000 2087 455 TIP3 H1 -3.87115 23.93656 -15.38485 W11 167 0.00000 2088 455 TIP3 H2 -3.66717 22.89495 -16.46436 W11 167 0.00000 2089 456 TIP3 OH2 -8.92769 20.52053 -13.42679 W11 168 0.00000 2090 456 TIP3 H1 -8.69924 19.95396 -14.16370 W11 168 0.00000 2091 456 TIP3 H2 -9.81971 20.26320 -13.19376 W11 168 0.00000 2092 457 TIP3 OH2 -15.43949 15.12277 -8.32943 W11 170 0.00000 2093 457 TIP3 H1 -14.93390 14.31086 -8.36689 W11 170 0.00000 2094 457 TIP3 H2 -15.35194 15.41842 -7.42327 W11 170 0.00000 2095 458 TIP3 OH2 -14.19891 12.76922 -8.50173 W11 171 0.00000 2096 458 TIP3 H1 -14.53784 12.91483 -9.38498 W11 171 0.00000 2097 458 TIP3 H2 -13.50021 12.12503 -8.61597 W11 171 0.00000 2098 459 TIP3 OH2 -3.21601 22.18204 -18.19085 W11 172 0.00000 2099 459 TIP3 H1 -3.10973 21.30642 -17.81907 W11 172 0.00000 2100 459 TIP3 H2 -3.76414 22.04945 -18.96429 W11 172 0.00000 2101 460 TIP3 OH2 -7.28990 20.03042 -15.74391 W11 173 0.00000 2102 460 TIP3 H1 -6.88389 19.24976 -16.12069 W11 173 0.00000 2103 460 TIP3 H2 -6.66912 20.32618 -15.07806 W11 173 0.00000 2104 461 TIP3 OH2 -10.69986 16.59037 -13.13624 W11 174 0.00000 2105 461 TIP3 H1 -10.12572 16.44370 -12.38451 W11 174 0.00000 2106 461 TIP3 H2 -11.50529 16.12140 -12.91816 W11 174 0.00000 2107 462 TIP3 OH2 -12.77653 15.22104 -11.70044 W11 175 0.00000 2108 462 TIP3 H1 -13.67178 15.43670 -11.96167 W11 175 0.00000 2109 462 TIP3 H2 -12.61505 15.76228 -10.92766 W11 175 0.00000 2110 463 TIP3 OH2 -12.81677 6.87766 -12.40716 W11 177 0.00000 2111 463 TIP3 H1 -11.96207 6.72901 -12.81164 W11 177 0.00000 2112 463 TIP3 H2 -12.70478 7.68011 -11.89750 W11 177 0.00000 2113 464 TIP3 OH2 -6.00069 17.96908 -17.14357 W11 178 0.00000 2114 464 TIP3 H1 -6.27974 17.05868 -17.04597 W11 178 0.00000 2115 464 TIP3 H2 -5.89662 18.08830 -18.08760 W11 178 0.00000 2116 465 TIP3 OH2 -12.73953 9.54464 -11.87133 W11 181 0.00000 2117 465 TIP3 H1 -13.41762 10.05469 -12.31436 W11 181 0.00000 2118 465 TIP3 H2 -11.95649 9.66958 -12.40748 W11 181 0.00000 2119 466 TIP3 OH2 -2.46423 19.70673 -17.01127 W11 182 0.00000 2120 466 TIP3 H1 -1.63212 19.40515 -17.37579 W11 182 0.00000 2121 466 TIP3 H2 -2.27191 19.88686 -16.09106 W11 182 0.00000 2122 467 TIP3 OH2 -22.64910 22.11109 -8.07127 W11 188 0.00000 2123 467 TIP3 H1 -23.00016 21.24189 -7.87769 W11 188 0.00000 2124 467 TIP3 H2 -21.97337 22.25023 -7.40776 W11 188 0.00000 2125 468 TIP3 OH2 -21.01046 22.69058 -5.90260 W11 189 0.00000 2126 468 TIP3 H1 -20.18823 22.20315 -5.95322 W11 189 0.00000 2127 468 TIP3 H2 -21.46778 22.31243 -5.15154 W11 189 0.00000 2128 469 TIP3 OH2 -11.31507 10.05814 -14.53816 W11 190 0.00000 2129 469 TIP3 H1 -11.70682 10.80407 -14.99241 W11 190 0.00000 2130 469 TIP3 H2 -10.55106 9.82915 -15.06739 W11 190 0.00000 2131 470 TIP3 OH2 -18.48533 23.90251 -7.44536 W11 194 0.00000 2132 470 TIP3 H1 -18.96623 24.49126 -8.02703 W11 194 0.00000 2133 470 TIP3 H2 -18.44006 24.37214 -6.61253 W11 194 0.00000 2134 471 TIP3 OH2 -17.46903 23.88453 -4.56437 W11 195 0.00000 2135 471 TIP3 H1 -17.75518 24.69607 -4.14514 W11 195 0.00000 2136 471 TIP3 H2 -16.65005 24.11644 -5.00222 W11 195 0.00000 2137 472 TIP3 OH2 -12.39340 16.99902 -19.84461 W11 199 0.00000 2138 472 TIP3 H1 -12.80352 16.63378 -20.62859 W11 199 0.00000 2139 472 TIP3 H2 -11.45394 16.89045 -19.99247 W11 199 0.00000 2140 473 TIP3 OH2 -8.40919 13.94791 -17.64029 W11 200 0.00000 2141 473 TIP3 H1 -7.85460 14.44628 -17.04006 W11 200 0.00000 2142 473 TIP3 H2 -8.93501 14.61093 -18.08766 W11 200 0.00000 2143 474 TIP3 OH2 -6.52618 15.24275 -16.28532 W11 201 0.00000 2144 474 TIP3 H1 -5.59578 15.04697 -16.39599 W11 201 0.00000 2145 474 TIP3 H2 -6.57932 15.68448 -15.43781 W11 201 0.00000 2146 475 TIP3 OH2 -12.39984 18.64731 -23.65501 W11 204 0.00000 2147 475 TIP3 H1 -11.92671 18.63453 -22.82302 W11 204 0.00000 2148 475 TIP3 H2 -13.03386 17.93399 -23.58153 W11 204 0.00000 2149 476 TIP3 OH2 -9.80472 15.71557 -19.38074 W11 205 0.00000 2150 476 TIP3 H1 -9.15273 16.38656 -19.58299 W11 205 0.00000 2151 476 TIP3 H2 -9.77147 15.11619 -20.12629 W11 205 0.00000 2152 477 TIP3 OH2 -6.03947 18.15334 -19.89721 W11 206 0.00000 2153 477 TIP3 H1 -6.57313 18.93749 -20.02581 W11 206 0.00000 2154 477 TIP3 H2 -6.14433 17.65601 -20.70831 W11 206 0.00000 2155 478 TIP3 OH2 -10.25714 21.72641 -22.54215 W11 209 0.00000 2156 478 TIP3 H1 -10.37807 20.78067 -22.62690 W11 209 0.00000 2157 478 TIP3 H2 -10.88206 21.98864 -21.86619 W11 209 0.00000 2158 479 TIP3 OH2 -21.63808 11.99537 -21.71531 W11 213 0.00000 2159 479 TIP3 H1 -20.82474 11.63637 -21.36061 W11 213 0.00000 2160 479 TIP3 H2 -21.95792 11.31982 -22.31329 W11 213 0.00000 2161 480 TIP3 OH2 -15.92296 8.62179 -16.48538 W11 215 0.00000 2162 480 TIP3 H1 -16.29901 7.74309 -16.43359 W11 215 0.00000 2163 480 TIP3 H2 -15.10324 8.56132 -15.99484 W11 215 0.00000 2164 481 TIP3 OH2 -18.29137 19.14990 -4.08874 W11 216 0.00000 2165 481 TIP3 H1 -18.40388 19.63300 -4.90739 W11 216 0.00000 2166 481 TIP3 H2 -18.79402 19.64869 -3.44471 W11 216 0.00000 2167 482 TIP3 OH2 -25.14464 10.63303 -8.16885 W12 1 0.00000 2168 482 TIP3 H1 -25.31165 11.32073 -7.52433 W12 1 0.00000 2169 482 TIP3 H2 -25.03964 11.10091 -8.99727 W12 1 0.00000 2170 483 TIP3 OH2 -27.88679 8.21282 -8.23711 W12 2 0.00000 2171 483 TIP3 H1 -28.16681 7.32468 -8.45854 W12 2 0.00000 2172 483 TIP3 H2 -27.43209 8.52331 -9.02010 W12 2 0.00000 2173 484 TIP3 OH2 -25.26346 10.06917 -4.37323 W12 4 0.00000 2174 484 TIP3 H1 -25.61752 9.43544 -4.99713 W12 4 0.00000 2175 484 TIP3 H2 -25.93224 10.13414 -3.69152 W12 4 0.00000 2176 485 TIP3 OH2 -22.04088 1.03998 -7.09081 W12 10 0.00000 2177 485 TIP3 H1 -22.70205 0.93971 -6.40595 W12 10 0.00000 2178 485 TIP3 H2 -21.42898 1.68746 -6.74071 W12 10 0.00000 2179 486 TIP3 OH2 -26.29788 5.09797 -9.08824 W12 11 0.00000 2180 486 TIP3 H1 -25.90083 4.40613 -9.61733 W12 11 0.00000 2181 486 TIP3 H2 -25.81860 5.89033 -9.33049 W12 11 0.00000 2182 487 TIP3 OH2 -28.41020 7.93246 -15.82644 W12 12 0.00000 2183 487 TIP3 H1 -28.38916 8.77024 -15.36392 W12 12 0.00000 2184 487 TIP3 H2 -28.10863 8.13909 -16.71108 W12 12 0.00000 2185 488 TIP3 OH2 -22.23942 6.51153 -11.12427 W12 13 0.00000 2186 488 TIP3 H1 -22.11541 5.66043 -10.70418 W12 13 0.00000 2187 488 TIP3 H2 -21.65685 7.10206 -10.64666 W12 13 0.00000 2188 489 TIP3 OH2 -28.52622 9.98655 -12.01846 W12 15 0.00000 2189 489 TIP3 H1 -28.27960 9.09061 -11.78890 W12 15 0.00000 2190 489 TIP3 H2 -28.43450 10.02426 -12.97051 W12 15 0.00000 2191 490 TIP3 OH2 -23.76320 0.40412 -5.09923 W12 16 0.00000 2192 490 TIP3 H1 -24.37803 1.13590 -5.15133 W12 16 0.00000 2193 490 TIP3 H2 -24.31152 -0.35687 -4.90822 W12 16 0.00000 2194 491 TIP3 OH2 -25.50872 13.07272 -6.88902 W12 18 0.00000 2195 491 TIP3 H1 -25.03058 13.52358 -7.58496 W12 18 0.00000 2196 491 TIP3 H2 -26.05226 13.75307 -6.49163 W12 18 0.00000 2197 492 TIP3 OH2 -22.14756 4.13048 -9.76089 W12 20 0.00000 2198 492 TIP3 H1 -22.39088 3.33670 -10.23727 W12 20 0.00000 2199 492 TIP3 H2 -22.20979 3.88497 -8.83781 W12 20 0.00000 2200 493 TIP3 OH2 -31.09512 7.65364 -15.67504 W12 21 0.00000 2201 493 TIP3 H1 -31.14578 7.62211 -14.71970 W12 21 0.00000 2202 493 TIP3 H2 -30.15870 7.60549 -15.86743 W12 21 0.00000 2203 494 TIP3 OH2 -27.10059 9.55934 -2.02336 W12 24 0.00000 2204 494 TIP3 H1 -27.85560 9.80435 -2.55829 W12 24 0.00000 2205 494 TIP3 H2 -27.12685 10.16252 -1.28060 W12 24 0.00000 2206 495 TIP3 OH2 -23.94057 0.70519 -9.15942 W12 25 0.00000 2207 495 TIP3 H1 -24.60961 1.38294 -9.25562 W12 25 0.00000 2208 495 TIP3 H2 -23.27236 1.10490 -8.60267 W12 25 0.00000 2209 496 TIP3 OH2 -26.27792 3.45143 -15.94424 W12 26 0.00000 2210 496 TIP3 H1 -26.00406 2.89447 -16.67295 W12 26 0.00000 2211 496 TIP3 H2 -27.14086 3.77609 -16.20146 W12 26 0.00000 2212 497 TIP3 OH2 -26.60974 13.57942 -3.12600 W12 27 0.00000 2213 497 TIP3 H1 -25.76715 13.28957 -3.47566 W12 27 0.00000 2214 497 TIP3 H2 -26.38764 14.28579 -2.51941 W12 27 0.00000 2215 498 TIP3 OH2 -24.14269 12.78767 -4.24944 W12 28 0.00000 2216 498 TIP3 H1 -23.67677 12.82112 -5.08492 W12 28 0.00000 2217 498 TIP3 H2 -24.51141 11.90499 -4.21545 W12 28 0.00000 2218 499 TIP3 OH2 -28.19247 5.61854 -1.25520 W12 29 0.00000 2219 499 TIP3 H1 -27.40927 5.67036 -1.80305 W12 29 0.00000 2220 499 TIP3 H2 -28.13440 6.38192 -0.68066 W12 29 0.00000 2221 500 TIP3 OH2 -24.04649 12.25393 -10.37467 W12 30 0.00000 2222 500 TIP3 H1 -24.46448 13.08236 -10.60964 W12 30 0.00000 2223 500 TIP3 H2 -23.16418 12.50049 -10.09726 W12 30 0.00000 2224 501 TIP3 OH2 -21.52202 13.18191 -12.35427 W12 31 0.00000 2225 501 TIP3 H1 -21.49653 12.52910 -11.65469 W12 31 0.00000 2226 501 TIP3 H2 -20.67377 13.09984 -12.79012 W12 31 0.00000 2227 502 TIP3 OH2 -24.45514 3.85374 -3.11203 W12 32 0.00000 2228 502 TIP3 H1 -25.18112 4.47491 -3.05436 W12 32 0.00000 2229 502 TIP3 H2 -23.67526 4.37868 -2.93190 W12 32 0.00000 2230 503 TIP3 OH2 -22.48015 10.62383 -7.64741 W12 33 0.00000 2231 503 TIP3 H1 -23.42625 10.63800 -7.79208 W12 33 0.00000 2232 503 TIP3 H2 -22.24726 9.69577 -7.67350 W12 33 0.00000 2233 504 TIP3 OH2 -27.98514 3.39575 -5.91044 W12 34 0.00000 2234 504 TIP3 H1 -28.56758 3.49684 -5.15759 W12 34 0.00000 2235 504 TIP3 H2 -28.01871 4.24265 -6.35526 W12 34 0.00000 2236 505 TIP3 OH2 -29.51511 12.57412 -12.16925 W12 35 0.00000 2237 505 TIP3 H1 -29.06635 12.98270 -12.90945 W12 35 0.00000 2238 505 TIP3 H2 -29.13053 11.69969 -12.10844 W12 35 0.00000 2239 506 TIP3 OH2 -21.41036 11.98496 -9.73021 W12 40 0.00000 2240 506 TIP3 H1 -21.57193 11.39387 -8.99486 W12 40 0.00000 2241 506 TIP3 H2 -20.80903 12.64303 -9.38150 W12 40 0.00000 2242 507 TIP3 OH2 -27.46186 14.94382 -5.60955 W12 42 0.00000 2243 507 TIP3 H1 -27.76284 14.46471 -4.83748 W12 42 0.00000 2244 507 TIP3 H2 -27.92793 15.77898 -5.57050 W12 42 0.00000 2245 508 TIP3 OH2 -16.06979 5.37673 -12.82663 W12 44 0.00000 2246 508 TIP3 H1 -16.91275 5.57260 -13.23563 W12 44 0.00000 2247 508 TIP3 H2 -15.91117 6.11497 -12.23838 W12 44 0.00000 2248 509 TIP3 OH2 -28.27093 13.89746 -14.26636 W12 45 0.00000 2249 509 TIP3 H1 -28.39432 14.83411 -14.11245 W12 45 0.00000 2250 509 TIP3 H2 -28.39222 13.79127 -15.20989 W12 45 0.00000 2251 510 TIP3 OH2 -18.98337 15.64025 -2.99758 W12 46 0.00000 2252 510 TIP3 H1 -19.36116 16.12813 -2.26582 W12 46 0.00000 2253 510 TIP3 H2 -18.24047 15.17250 -2.61609 W12 46 0.00000 2254 511 TIP3 OH2 -23.39418 18.54808 -4.01422 W12 53 0.00000 2255 511 TIP3 H1 -22.58233 18.24070 -4.41750 W12 53 0.00000 2256 511 TIP3 H2 -23.91351 17.75444 -3.88516 W12 53 0.00000 2257 512 TIP3 OH2 -25.42303 16.77613 -3.36814 W12 54 0.00000 2258 512 TIP3 H1 -26.19890 17.03547 -3.86512 W12 54 0.00000 2259 512 TIP3 H2 -25.38531 15.82426 -3.46150 W12 54 0.00000 2260 513 TIP3 OH2 -27.81742 0.46038 -4.64874 W12 55 0.00000 2261 513 TIP3 H1 -27.76871 1.39697 -4.84014 W12 55 0.00000 2262 513 TIP3 H2 -27.28330 0.04853 -5.32794 W12 55 0.00000 2263 514 TIP3 OH2 -28.91832 4.44572 -16.90356 W12 57 0.00000 2264 514 TIP3 H1 -29.19187 4.94662 -17.67200 W12 57 0.00000 2265 514 TIP3 H2 -29.50378 4.73870 -16.20525 W12 57 0.00000 2266 515 TIP3 OH2 -27.96694 0.45636 -12.85544 W12 58 0.00000 2267 515 TIP3 H1 -28.05035 -0.46265 -12.60108 W12 58 0.00000 2268 515 TIP3 H2 -28.60755 0.57012 -13.55752 W12 58 0.00000 2269 516 TIP3 OH2 -27.57009 1.28224 -7.84962 W12 59 0.00000 2270 516 TIP3 H1 -28.40260 0.83800 -8.01031 W12 59 0.00000 2271 516 TIP3 H2 -27.81496 2.10521 -7.42656 W12 59 0.00000 2272 517 TIP3 OH2 -19.18962 13.76122 -8.84685 W12 60 0.00000 2273 517 TIP3 H1 -18.46736 14.21879 -9.27720 W12 60 0.00000 2274 517 TIP3 H2 -18.88304 13.61730 -7.95157 W12 60 0.00000 2275 518 TIP3 OH2 -20.54662 10.70729 -15.65770 W12 61 0.00000 2276 518 TIP3 H1 -21.33723 10.18936 -15.50634 W12 61 0.00000 2277 518 TIP3 H2 -20.22641 10.41283 -16.51033 W12 61 0.00000 2278 519 TIP3 OH2 -27.92653 10.53605 -14.71829 W12 63 0.00000 2279 519 TIP3 H1 -28.36913 10.64577 -15.55990 W12 63 0.00000 2280 519 TIP3 H2 -26.99667 10.63834 -14.92102 W12 63 0.00000 2281 520 TIP3 OH2 -23.58623 9.75683 -11.14488 W12 64 0.00000 2282 520 TIP3 H1 -23.93615 10.63074 -10.97146 W12 64 0.00000 2283 520 TIP3 H2 -22.64962 9.83283 -10.96255 W12 64 0.00000 2284 521 TIP3 OH2 -24.60771 7.17662 -9.90635 W12 66 0.00000 2285 521 TIP3 H1 -24.46334 8.12222 -9.87124 W12 66 0.00000 2286 521 TIP3 H2 -23.91946 6.85013 -10.48595 W12 66 0.00000 2287 522 TIP3 OH2 -22.17434 12.64293 -17.73873 W12 68 0.00000 2288 522 TIP3 H1 -22.79979 12.00342 -18.07943 W12 68 0.00000 2289 522 TIP3 H2 -22.43547 13.47156 -18.14048 W12 68 0.00000 2290 523 TIP3 OH2 -28.75863 5.39991 -7.74790 W12 71 0.00000 2291 523 TIP3 H1 -27.90400 5.30003 -8.16725 W12 71 0.00000 2292 523 TIP3 H2 -29.31425 4.74958 -8.17756 W12 71 0.00000 2293 524 TIP3 OH2 -26.07237 7.23643 -14.34997 W12 72 0.00000 2294 524 TIP3 H1 -26.89092 7.38545 -14.82324 W12 72 0.00000 2295 524 TIP3 H2 -26.25584 6.48722 -13.78317 W12 72 0.00000 2296 525 TIP3 OH2 -25.28313 11.17304 -15.44862 W12 74 0.00000 2297 525 TIP3 H1 -24.82397 10.82965 -14.68215 W12 74 0.00000 2298 525 TIP3 H2 -25.21657 12.12400 -15.36216 W12 74 0.00000 2299 526 TIP3 OH2 -25.05657 3.08167 -10.83536 W12 75 0.00000 2300 526 TIP3 H1 -25.99422 2.95217 -10.97773 W12 75 0.00000 2301 526 TIP3 H2 -24.78841 3.68029 -11.53248 W12 75 0.00000 2302 527 TIP3 OH2 -24.94293 14.03344 -16.34759 W12 76 0.00000 2303 527 TIP3 H1 -24.71723 14.42201 -17.19275 W12 76 0.00000 2304 527 TIP3 H2 -24.16637 14.17098 -15.80515 W12 76 0.00000 2305 528 TIP3 OH2 -27.37946 7.39667 -10.98280 W12 79 0.00000 2306 528 TIP3 H1 -26.45643 7.20902 -11.15315 W12 79 0.00000 2307 528 TIP3 H2 -27.82981 6.57217 -11.16620 W12 79 0.00000 2308 529 TIP3 OH2 -27.03601 8.87476 -18.08426 W12 80 0.00000 2309 529 TIP3 H1 -26.92291 8.40244 -18.90909 W12 80 0.00000 2310 529 TIP3 H2 -26.14709 8.98401 -17.74644 W12 80 0.00000 2311 530 TIP3 OH2 -29.36730 5.17085 -12.16799 W12 81 0.00000 2312 530 TIP3 H1 -30.14909 5.67848 -12.38559 W12 81 0.00000 2313 530 TIP3 H2 -29.61121 4.67873 -11.38406 W12 81 0.00000 2314 531 TIP3 OH2 -25.53181 14.67485 -10.43509 W12 82 0.00000 2315 531 TIP3 H1 -25.64444 14.79965 -11.37740 W12 82 0.00000 2316 531 TIP3 H2 -26.26858 14.12116 -10.17658 W12 82 0.00000 2317 532 TIP3 OH2 -26.33399 5.85560 -3.31769 W12 83 0.00000 2318 532 TIP3 H1 -25.69576 6.30858 -2.76661 W12 83 0.00000 2319 532 TIP3 H2 -26.61689 6.51625 -3.94994 W12 83 0.00000 2320 533 TIP3 OH2 -19.33752 9.78545 -13.22755 W12 84 0.00000 2321 533 TIP3 H1 -19.89968 10.27343 -13.82927 W12 84 0.00000 2322 533 TIP3 H2 -19.62933 10.05312 -12.35610 W12 84 0.00000 2323 534 TIP3 OH2 -20.58821 9.68368 -10.95023 W12 86 0.00000 2324 534 TIP3 H1 -20.16052 9.08197 -10.34092 W12 86 0.00000 2325 534 TIP3 H2 -20.45640 10.54974 -10.56446 W12 86 0.00000 2326 535 TIP3 OH2 -23.95132 15.58836 -8.37071 W12 88 0.00000 2327 535 TIP3 H1 -24.67801 15.98362 -7.88913 W12 88 0.00000 2328 535 TIP3 H2 -24.34431 15.27906 -9.18687 W12 88 0.00000 2329 536 TIP3 OH2 -17.19788 8.39855 -7.65582 W12 92 0.00000 2330 536 TIP3 H1 -16.98722 8.76738 -8.51361 W12 92 0.00000 2331 536 TIP3 H2 -17.24936 9.15723 -7.07445 W12 92 0.00000 2332 537 TIP3 OH2 -27.71390 3.71950 0.46548 W12 93 0.00000 2333 537 TIP3 H1 -28.11589 4.40704 -0.06549 W12 93 0.00000 2334 537 TIP3 H2 -26.81259 4.01379 0.59682 W12 93 0.00000 2335 538 TIP3 OH2 -21.57325 14.51405 -2.77994 W12 94 0.00000 2336 538 TIP3 H1 -21.75267 13.88190 -3.47592 W12 94 0.00000 2337 538 TIP3 H2 -20.72889 14.89800 -3.01630 W12 94 0.00000 2338 539 TIP3 OH2 -26.41643 7.31843 -5.79398 W12 95 0.00000 2339 539 TIP3 H1 -26.93999 7.49137 -6.57642 W12 95 0.00000 2340 539 TIP3 H2 -25.63661 6.87012 -6.12130 W12 95 0.00000 2341 540 TIP3 OH2 -28.23932 13.51615 -9.91642 W12 98 0.00000 2342 540 TIP3 H1 -28.73616 14.18575 -9.44629 W12 98 0.00000 2343 540 TIP3 H2 -28.84439 13.19285 -10.58397 W12 98 0.00000 2344 541 TIP3 OH2 -21.18377 15.48755 -6.59382 W12 102 0.00000 2345 541 TIP3 H1 -21.35779 14.58020 -6.34351 W12 102 0.00000 2346 541 TIP3 H2 -21.84299 15.68346 -7.25963 W12 102 0.00000 2347 542 TIP3 OH2 -19.80857 16.83856 -0.53835 W12 104 0.00000 2348 542 TIP3 H1 -19.41484 17.07455 0.30159 W12 104 0.00000 2349 542 TIP3 H2 -20.68305 17.22685 -0.51101 W12 104 0.00000 2350 543 TIP3 OH2 -21.64841 12.82918 -6.15947 W12 106 0.00000 2351 543 TIP3 H1 -21.96129 12.06547 -6.64431 W12 106 0.00000 2352 543 TIP3 H2 -21.20679 12.46270 -5.39339 W12 106 0.00000 2353 544 TIP3 OH2 -24.45846 19.23369 -10.30990 W12 108 0.00000 2354 544 TIP3 H1 -23.68500 19.01998 -10.83174 W12 108 0.00000 2355 544 TIP3 H2 -25.06362 18.50957 -10.47011 W12 108 0.00000 2356 545 TIP3 OH2 -26.66139 17.66408 -10.48619 W12 109 0.00000 2357 545 TIP3 H1 -26.91691 16.74174 -10.47164 W12 109 0.00000 2358 545 TIP3 H2 -27.16992 18.06514 -9.78137 W12 109 0.00000 2359 546 TIP3 OH2 -27.63618 2.31938 -10.75683 W12 111 0.00000 2360 546 TIP3 H1 -27.62825 1.70239 -10.02506 W12 111 0.00000 2361 546 TIP3 H2 -27.70478 1.76714 -11.53564 W12 111 0.00000 2362 547 TIP3 OH2 -21.06206 7.76118 -13.43331 W12 112 0.00000 2363 547 TIP3 H1 -20.53704 8.53791 -13.24021 W12 112 0.00000 2364 547 TIP3 H2 -21.26792 7.39118 -12.57485 W12 112 0.00000 2365 548 TIP3 OH2 -25.90164 17.38347 -7.27966 W12 113 0.00000 2366 548 TIP3 H1 -26.64651 17.95196 -7.47513 W12 113 0.00000 2367 548 TIP3 H2 -25.28025 17.95058 -6.82304 W12 113 0.00000 2368 549 TIP3 OH2 -24.06125 9.28988 -13.86978 W12 114 0.00000 2369 549 TIP3 H1 -23.71863 9.32456 -12.97667 W12 114 0.00000 2370 549 TIP3 H2 -24.78535 8.66545 -13.82495 W12 114 0.00000 2371 550 TIP3 OH2 -30.15602 3.64574 -9.79362 W12 115 0.00000 2372 550 TIP3 H1 -30.77254 3.48373 -9.07956 W12 115 0.00000 2373 550 TIP3 H2 -29.56622 2.89202 -9.77710 W12 115 0.00000 2374 551 TIP3 OH2 -23.12464 6.42412 -14.91376 W12 116 0.00000 2375 551 TIP3 H1 -23.99105 6.52142 -14.51868 W12 116 0.00000 2376 551 TIP3 H2 -22.53141 6.85923 -14.30141 W12 116 0.00000 2377 552 TIP3 OH2 -24.16532 10.78868 -18.20425 W12 118 0.00000 2378 552 TIP3 H1 -24.74820 11.17763 -17.55218 W12 118 0.00000 2379 552 TIP3 H2 -23.63798 10.16066 -17.71056 W12 118 0.00000 2380 553 TIP3 OH2 -25.87862 -0.37441 -6.77422 W12 119 0.00000 2381 553 TIP3 H1 -26.51854 0.16426 -7.23960 W12 119 0.00000 2382 553 TIP3 H2 -25.05628 0.10933 -6.85145 W12 119 0.00000 2383 554 TIP3 OH2 -24.12441 6.52780 -7.17418 W12 120 0.00000 2384 554 TIP3 H1 -24.29879 6.73600 -8.09204 W12 120 0.00000 2385 554 TIP3 H2 -23.92483 5.59164 -7.17418 W12 120 0.00000 2386 555 TIP3 OH2 -28.17567 18.94702 -12.72693 W12 121 0.00000 2387 555 TIP3 H1 -28.19823 19.03179 -11.77377 W12 121 0.00000 2388 555 TIP3 H2 -27.24543 18.98491 -12.94928 W12 121 0.00000 2389 556 TIP3 OH2 -27.56708 11.25492 0.26175 W12 123 0.00000 2390 556 TIP3 H1 -27.45889 12.19712 0.39131 W12 123 0.00000 2391 556 TIP3 H2 -27.10467 10.85662 0.99915 W12 123 0.00000 2392 557 TIP3 OH2 -23.81312 19.70399 -7.66282 W12 128 0.00000 2393 557 TIP3 H1 -24.24625 19.28362 -8.40572 W12 128 0.00000 2394 557 TIP3 H2 -22.97373 19.25035 -7.58628 W12 128 0.00000 2395 558 TIP3 OH2 -20.83845 17.89136 -4.63736 W12 130 0.00000 2396 558 TIP3 H1 -20.68673 16.96556 -4.82743 W12 130 0.00000 2397 558 TIP3 H2 -20.04903 18.17409 -4.17573 W12 130 0.00000 2398 559 TIP3 OH2 -25.41013 18.27444 -13.44206 W12 132 0.00000 2399 559 TIP3 H1 -25.45627 17.36985 -13.75160 W12 132 0.00000 2400 559 TIP3 H2 -24.47541 18.43752 -13.31586 W12 132 0.00000 2401 560 TIP3 OH2 -22.01482 17.36458 -9.26378 W12 134 0.00000 2402 560 TIP3 H1 -22.85454 16.97366 -9.02240 W12 134 0.00000 2403 560 TIP3 H2 -21.75637 16.90409 -10.06213 W12 134 0.00000 2404 561 TIP3 OH2 -25.50528 15.00253 -13.25879 W12 137 0.00000 2405 561 TIP3 H1 -26.10766 14.37578 -13.65949 W12 137 0.00000 2406 561 TIP3 H2 -24.68858 14.89590 -13.74650 W12 137 0.00000 2407 562 TIP3 OH2 -23.04719 14.63276 -14.29520 W12 139 0.00000 2408 562 TIP3 H1 -22.49779 15.20778 -14.82785 W12 139 0.00000 2409 562 TIP3 H2 -22.47964 14.35813 -13.57499 W12 139 0.00000 2410 563 TIP3 OH2 -17.20265 13.44189 -6.65043 W12 141 0.00000 2411 563 TIP3 H1 -16.70140 13.79221 -7.38680 W12 141 0.00000 2412 563 TIP3 H2 -17.34222 14.19436 -6.07551 W12 141 0.00000 2413 564 TIP3 OH2 -30.63784 3.44647 -13.84297 W12 143 0.00000 2414 564 TIP3 H1 -29.99651 4.00372 -13.40204 W12 143 0.00000 2415 564 TIP3 H2 -30.88813 3.94020 -14.62387 W12 143 0.00000 2416 565 TIP3 OH2 -31.23650 0.10515 -5.91878 W12 145 0.00000 2417 565 TIP3 H1 -30.72369 -0.50523 -6.44858 W12 145 0.00000 2418 565 TIP3 H2 -30.79942 0.10955 -5.06721 W12 145 0.00000 2419 566 TIP3 OH2 -30.00637 2.80708 -3.82286 W12 146 0.00000 2420 566 TIP3 H1 -30.04544 3.75897 -3.73009 W12 146 0.00000 2421 566 TIP3 H2 -29.25326 2.54506 -3.29333 W12 146 0.00000 2422 567 TIP3 OH2 -29.54057 1.19476 -14.85777 W12 148 0.00000 2423 567 TIP3 H1 -29.85111 1.92858 -14.32737 W12 148 0.00000 2424 567 TIP3 H2 -29.59418 1.51091 -15.75965 W12 148 0.00000 2425 568 TIP3 OH2 -29.79652 0.40799 -9.02564 W12 150 0.00000 2426 568 TIP3 H1 -30.52703 0.65691 -9.59185 W12 150 0.00000 2427 568 TIP3 H2 -29.81552 -0.54897 -9.01611 W12 150 0.00000 2428 569 TIP3 OH2 -29.58858 -2.38411 -8.17840 W12 151 0.00000 2429 569 TIP3 H1 -29.33183 -2.98281 -8.87973 W12 151 0.00000 2430 569 TIP3 H2 -30.46630 -2.67146 -7.92689 W12 151 0.00000 2431 570 TIP3 OH2 -30.93813 -1.13087 -14.29031 W12 153 0.00000 2432 570 TIP3 H1 -30.24092 -1.78528 -14.24697 W12 153 0.00000 2433 570 TIP3 H2 -30.48525 -0.31020 -14.48429 W12 153 0.00000 2434 571 TIP3 OH2 -32.63233 -1.49598 -12.24804 W12 154 0.00000 2435 571 TIP3 H1 -32.01488 -1.22237 -12.92636 W12 154 0.00000 2436 571 TIP3 H2 -33.24310 -0.76313 -12.16974 W12 154 0.00000 2437 572 TIP3 OH2 -27.34677 21.12638 -6.90305 W12 155 0.00000 2438 572 TIP3 H1 -26.87324 20.82471 -6.12781 W12 155 0.00000 2439 572 TIP3 H2 -27.33139 22.08118 -6.83722 W12 155 0.00000 2440 573 TIP3 OH2 -26.12620 10.63057 2.58239 W12 159 0.00000 2441 573 TIP3 H1 -26.82799 10.13495 3.00438 W12 159 0.00000 2442 573 TIP3 H2 -25.62801 11.00654 3.30812 W12 159 0.00000 2443 574 TIP3 OH2 -19.83676 11.21831 -4.44069 W12 162 0.00000 2444 574 TIP3 H1 -19.49514 11.13088 -3.55082 W12 162 0.00000 2445 574 TIP3 H2 -19.99118 10.31839 -4.72796 W12 162 0.00000 2446 575 TIP3 OH2 -20.14068 8.57357 -4.86730 W12 163 0.00000 2447 575 TIP3 H1 -20.73030 8.23075 -5.53890 W12 163 0.00000 2448 575 TIP3 H2 -20.30973 8.02866 -4.09872 W12 163 0.00000 2449 576 TIP3 OH2 -24.52803 7.21185 -1.52214 W12 164 0.00000 2450 576 TIP3 H1 -23.65932 6.86914 -1.31207 W12 164 0.00000 2451 576 TIP3 H2 -24.68832 7.88265 -0.85840 W12 164 0.00000 2452 577 TIP3 OH2 -28.03435 8.09705 0.15613 W12 165 0.00000 2453 577 TIP3 H1 -28.99139 8.11263 0.14976 W12 165 0.00000 2454 577 TIP3 H2 -27.78323 8.42554 -0.70715 W12 165 0.00000 2455 578 TIP3 OH2 -17.52284 10.82395 -5.95748 W12 166 0.00000 2456 578 TIP3 H1 -17.51030 11.71479 -6.30744 W12 166 0.00000 2457 578 TIP3 H2 -18.22188 10.83277 -5.30365 W12 166 0.00000 2458 579 TIP3 OH2 -16.73724 10.50021 -9.38161 W12 167 0.00000 2459 579 TIP3 H1 -16.44182 11.36589 -9.09952 W12 167 0.00000 2460 579 TIP3 H2 -16.23784 10.32428 -10.17903 W12 167 0.00000 2461 580 TIP3 OH2 -21.49836 7.94986 -7.14146 W12 168 0.00000 2462 580 TIP3 H1 -21.26991 7.38329 -7.87837 W12 168 0.00000 2463 580 TIP3 H2 -22.39038 7.69253 -6.90843 W12 168 0.00000 2464 581 TIP3 OH2 -28.01017 2.55209 -2.04411 W12 170 0.00000 2465 581 TIP3 H1 -27.50457 1.74019 -2.08156 W12 170 0.00000 2466 581 TIP3 H2 -27.92261 2.84775 -1.13794 W12 170 0.00000 2467 582 TIP3 OH2 -26.76958 0.19855 -2.21640 W12 171 0.00000 2468 582 TIP3 H1 -27.10852 0.34415 -3.09966 W12 171 0.00000 2469 582 TIP3 H2 -26.07088 -0.44564 -2.33064 W12 171 0.00000 2470 583 TIP3 OH2 -15.78668 9.61137 -11.90552 W12 172 0.00000 2471 583 TIP3 H1 -15.68040 8.73575 -11.53374 W12 172 0.00000 2472 583 TIP3 H2 -16.33481 9.47878 -12.67896 W12 172 0.00000 2473 584 TIP3 OH2 -19.86057 7.45975 -9.45858 W12 173 0.00000 2474 584 TIP3 H1 -19.45456 6.67909 -9.83536 W12 173 0.00000 2475 584 TIP3 H2 -19.23979 7.75551 -8.79273 W12 173 0.00000 2476 585 TIP3 OH2 -23.27053 4.01970 -6.85091 W12 174 0.00000 2477 585 TIP3 H1 -22.69639 3.87303 -6.09918 W12 174 0.00000 2478 585 TIP3 H2 -24.07597 3.55072 -6.63284 W12 174 0.00000 2479 586 TIP3 OH2 -25.34721 2.65036 -5.41512 W12 175 0.00000 2480 586 TIP3 H1 -26.24245 2.86603 -5.67634 W12 175 0.00000 2481 586 TIP3 H2 -25.18572 3.19161 -4.64233 W12 175 0.00000 2482 587 TIP3 OH2 -25.38744 -5.69301 -6.12183 W12 177 0.00000 2483 587 TIP3 H1 -24.53274 -5.84166 -6.52631 W12 177 0.00000 2484 587 TIP3 H2 -25.27545 -4.89056 -5.61217 W12 177 0.00000 2485 588 TIP3 OH2 -18.57136 5.39841 -10.85824 W12 178 0.00000 2486 588 TIP3 H1 -18.85042 4.48800 -10.76065 W12 178 0.00000 2487 588 TIP3 H2 -18.46729 5.51763 -11.80227 W12 178 0.00000 2488 589 TIP3 OH2 -25.31020 -3.02603 -5.58600 W12 181 0.00000 2489 589 TIP3 H1 -25.98829 -2.51598 -6.02903 W12 181 0.00000 2490 589 TIP3 H2 -24.52717 -2.90110 -6.12216 W12 181 0.00000 2491 590 TIP3 OH2 -15.03491 7.13605 -10.72595 W12 182 0.00000 2492 590 TIP3 H1 -14.20279 6.83448 -11.09046 W12 182 0.00000 2493 590 TIP3 H2 -14.84258 7.31619 -9.80573 W12 182 0.00000 2494 591 TIP3 OH2 -25.37856 14.72955 -1.00785 W12 184 0.00000 2495 591 TIP3 H1 -24.42238 14.68565 -1.00755 W12 184 0.00000 2496 591 TIP3 H2 -25.63173 14.45432 -0.12673 W12 184 0.00000 2497 592 TIP3 OH2 -23.88574 -2.51253 -8.25283 W12 190 0.00000 2498 592 TIP3 H1 -24.27749 -1.76660 -8.70708 W12 190 0.00000 2499 592 TIP3 H2 -23.12173 -2.74152 -8.78206 W12 190 0.00000 2500 593 TIP3 OH2 -24.96407 4.42835 -13.55928 W12 199 0.00000 2501 593 TIP3 H1 -25.37419 4.06311 -14.34326 W12 199 0.00000 2502 593 TIP3 H2 -24.02461 4.31978 -13.70714 W12 199 0.00000 2503 594 TIP3 OH2 -20.97986 1.37724 -11.35496 W12 200 0.00000 2504 594 TIP3 H1 -20.42527 1.87561 -10.75473 W12 200 0.00000 2505 594 TIP3 H2 -21.50568 2.04026 -11.80233 W12 200 0.00000 2506 595 TIP3 OH2 -19.09685 2.67208 -9.99999 W12 201 0.00000 2507 595 TIP3 H1 -18.16645 2.47630 -10.11066 W12 201 0.00000 2508 595 TIP3 H2 -19.14999 3.11381 -9.15248 W12 201 0.00000 2509 596 TIP3 OH2 -24.97051 6.07664 -17.36968 W12 204 0.00000 2510 596 TIP3 H1 -24.49738 6.06386 -16.53769 W12 204 0.00000 2511 596 TIP3 H2 -25.60453 5.36332 -17.29620 W12 204 0.00000 2512 597 TIP3 OH2 -22.37539 3.14490 -13.09541 W12 205 0.00000 2513 597 TIP3 H1 -21.72340 3.81589 -13.29766 W12 205 0.00000 2514 597 TIP3 H2 -22.34215 2.54551 -13.84097 W12 205 0.00000 2515 598 TIP3 OH2 -18.61014 5.58267 -13.61188 W12 206 0.00000 2516 598 TIP3 H1 -19.14380 6.36682 -13.74048 W12 206 0.00000 2517 598 TIP3 H2 -18.71500 5.08534 -14.42298 W12 206 0.00000 2518 599 TIP3 OH2 -22.82782 9.15573 -16.25683 W12 209 0.00000 2519 599 TIP3 H1 -22.94874 8.21000 -16.34157 W12 209 0.00000 2520 599 TIP3 H2 -23.45273 9.41797 -15.58086 W12 209 0.00000 2521 600 TIP3 OH2 -25.48881 19.56477 -5.57374 W12 210 0.00000 2522 600 TIP3 H1 -24.91492 19.63938 -4.81129 W12 210 0.00000 2523 600 TIP3 H2 -24.96427 19.89683 -6.30232 W12 210 0.00000 2524 601 TIP3 OH2 -22.65658 15.25107 -0.49937 W12 211 0.00000 2525 601 TIP3 H1 -22.16015 15.19400 -1.31577 W12 211 0.00000 2526 601 TIP3 H2 -22.54644 16.15821 -0.21443 W12 211 0.00000 2527 602 TIP3 OH2 -28.49363 -3.94888 -10.20005 W12 215 0.00000 2528 602 TIP3 H1 -28.86969 -4.82759 -10.14827 W12 215 0.00000 2529 602 TIP3 H2 -27.67391 -4.00935 -9.70951 W12 215 0.00000 2530 603 TIP3 OH2 -28.64047 -7.19395 -6.54131 W13 44 0.00000 2531 603 TIP3 H1 -29.48343 -6.99808 -6.95031 W13 44 0.00000 2532 603 TIP3 H2 -28.48184 -6.45570 -5.95305 W13 44 0.00000 2533 604 TIP3 OH2 -29.76855 -4.17212 -1.37049 W13 92 0.00000 2534 604 TIP3 H1 -29.55790 -3.80330 -2.22829 W13 92 0.00000 2535 604 TIP3 H2 -29.82003 -3.41344 -0.78912 W13 92 0.00000 2536 605 TIP3 OH2 -29.77332 0.87122 -0.36510 W13 141 0.00000 2537 605 TIP3 H1 -29.27207 1.22154 -1.10147 W13 141 0.00000 2538 605 TIP3 H2 -29.91289 1.62369 0.20982 W13 141 0.00000 2539 606 TIP3 OH2 -30.09352 -1.74673 0.32784 W13 166 0.00000 2540 606 TIP3 H1 -30.08097 -0.85588 -0.02211 W13 166 0.00000 2541 606 TIP3 H2 -30.79256 -1.73791 0.98167 W13 166 0.00000 2542 607 TIP3 OH2 -29.30791 -2.07046 -3.09628 W13 167 0.00000 2543 607 TIP3 H1 -29.01250 -1.20479 -2.81420 W13 167 0.00000 2544 607 TIP3 H2 -28.80851 -2.24639 -3.89370 W13 167 0.00000 2545 608 TIP3 OH2 -28.35735 -2.95930 -5.62019 W13 172 0.00000 2546 608 TIP3 H1 -28.25107 -3.83492 -5.24841 W13 172 0.00000 2547 608 TIP3 H2 -28.90548 -3.09189 -6.39363 W13 172 0.00000 2548 609 TIP3 OH2 -31.14204 -7.17227 -4.57292 W13 178 0.00000 2549 609 TIP3 H1 -31.42109 -8.08267 -4.47532 W13 178 0.00000 2550 609 TIP3 H2 -31.03796 -7.05304 -5.51694 W13 178 0.00000 2551 610 TIP3 OH2 -27.60558 -5.43462 -4.44062 W13 182 0.00000 2552 610 TIP3 H1 -26.77346 -5.73619 -4.80513 W13 182 0.00000 2553 610 TIP3 H2 -27.41325 -5.25448 -3.52040 W13 182 0.00000 2554 611 TIP3 OH2 -31.66753 -9.89860 -3.71467 W13 201 0.00000 2555 611 TIP3 H1 -30.73712 -10.09437 -3.82533 W13 201 0.00000 2556 611 TIP3 H2 -31.72066 -9.45686 -2.86715 W13 201 0.00000 2557 612 TIP3 OH2 -31.18082 -6.98801 -7.32656 W13 206 0.00000 2558 612 TIP3 H1 -31.71448 -6.20386 -7.45516 W13 206 0.00000 2559 612 TIP3 H2 -31.28567 -7.48533 -8.13765 W13 206 0.00000 2560 613 TIP3 OH2 -15.75554 26.18132 -0.80547 W15 10 0.00000 2561 613 TIP3 H1 -16.41670 26.08106 -0.12060 W15 10 0.00000 2562 613 TIP3 H2 -15.14363 26.82881 -0.45536 W15 10 0.00000 2563 614 TIP3 OH2 -17.47786 25.54546 1.18611 W15 16 0.00000 2564 614 TIP3 H1 -18.09268 26.27725 1.13402 W15 16 0.00000 2565 614 TIP3 H2 -18.02617 24.78448 1.37713 W15 16 0.00000 2566 615 TIP3 OH2 -21.53208 25.60172 1.63660 W15 55 0.00000 2567 615 TIP3 H1 -21.48336 26.53832 1.44521 W15 55 0.00000 2568 615 TIP3 H2 -20.99795 25.18988 0.95741 W15 55 0.00000 2569 616 TIP3 OH2 -19.59328 24.76693 -0.48888 W15 119 0.00000 2570 616 TIP3 H1 -20.23320 25.30560 -0.95426 W15 119 0.00000 2571 616 TIP3 H2 -18.77093 25.25068 -0.56610 W15 119 0.00000 2572 617 TIP3 OH2 -24.95115 25.24650 0.36657 W15 145 0.00000 2573 617 TIP3 H1 -24.43834 24.63612 -0.16323 W15 145 0.00000 2574 617 TIP3 H2 -24.51407 25.25090 1.21814 W15 145 0.00000 2575 618 TIP3 OH2 -23.30323 22.75724 -1.89305 W15 151 0.00000 2576 618 TIP3 H1 -23.04648 22.15854 -2.59438 W15 151 0.00000 2577 618 TIP3 H2 -24.18095 22.46989 -1.64154 W15 151 0.00000 2578 619 TIP3 OH2 -20.48423 25.33990 4.06895 W15 171 0.00000 2579 619 TIP3 H1 -20.82317 25.48550 3.18569 W15 171 0.00000 2580 619 TIP3 H2 -19.78553 24.69571 3.95471 W15 171 0.00000 2581 620 TIP3 OH2 -19.10210 19.44833 0.16351 W15 177 0.00000 2582 620 TIP3 H1 -18.24739 19.29969 -0.24096 W15 177 0.00000 2583 620 TIP3 H2 -18.99011 20.25078 0.67317 W15 177 0.00000 2584 621 TIP3 OH2 -19.02486 22.11531 0.69934 W15 181 0.00000 2585 621 TIP3 H1 -19.70295 22.62536 0.25631 W15 181 0.00000 2586 621 TIP3 H2 -18.24182 22.24025 0.16319 W15 181 0.00000 2587 622 TIP3 OH2 -17.60039 22.62882 -1.96748 W15 190 0.00000 2588 622 TIP3 H1 -17.99215 23.37474 -2.42174 W15 190 0.00000 2589 622 TIP3 H2 -16.83638 22.39983 -2.49671 W15 190 0.00000 2590 623 TIP3 OH2 -22.20828 21.19247 -3.91470 W15 215 0.00000 2591 623 TIP3 H1 -22.58434 20.31376 -3.86292 W15 215 0.00000 2592 623 TIP3 H2 -21.38857 21.13199 -3.42417 W15 215 0.00000 2593 624 TIP3 OH2 -22.35512 17.94740 -0.25596 W16 44 0.00000 2594 624 TIP3 H1 -23.19808 18.14327 -0.66496 W16 44 0.00000 2595 624 TIP3 H2 -22.19649 18.68565 0.33230 W16 44 0.00000 2596 625 TIP3 OH2 -23.48320 20.96923 4.91486 W16 92 0.00000 2597 625 TIP3 H1 -23.27255 21.33805 4.05706 W16 92 0.00000 2598 625 TIP3 H2 -23.53469 21.72790 5.49622 W16 92 0.00000 2599 626 TIP3 OH2 -23.48798 26.01256 5.92024 W16 141 0.00000 2600 626 TIP3 H1 -22.98673 26.36288 5.18387 W16 141 0.00000 2601 626 TIP3 H2 -23.62755 26.76503 6.49516 W16 141 0.00000 2602 627 TIP3 OH2 -23.80817 23.39462 6.61319 W16 166 0.00000 2603 627 TIP3 H1 -23.79563 24.28546 6.26323 W16 166 0.00000 2604 627 TIP3 H2 -24.50721 23.40344 7.26702 W16 166 0.00000 2605 628 TIP3 OH2 -23.02257 23.07088 3.18906 W16 167 0.00000 2606 628 TIP3 H1 -22.72715 23.93656 3.47115 W16 167 0.00000 2607 628 TIP3 H2 -22.52317 22.89495 2.39164 W16 167 0.00000 2608 629 TIP3 OH2 -22.07201 22.18204 0.66515 W16 172 0.00000 2609 629 TIP3 H1 -21.96573 21.30642 1.03693 W16 172 0.00000 2610 629 TIP3 H2 -22.62014 22.04945 -0.10829 W16 172 0.00000 2611 630 TIP3 OH2 -24.85669 17.96908 1.71243 W16 178 0.00000 2612 630 TIP3 H1 -25.13574 17.05868 1.81003 W16 178 0.00000 2613 630 TIP3 H2 -24.75262 18.08830 0.76840 W16 178 0.00000 2614 631 TIP3 OH2 -21.32023 19.70673 1.84473 W16 182 0.00000 2615 631 TIP3 H1 -20.48812 19.40515 1.48021 W16 182 0.00000 2616 631 TIP3 H2 -21.12791 19.88686 2.76494 W16 182 0.00000 2617 632 TIP3 OH2 -25.38218 15.24275 2.57068 W16 201 0.00000 2618 632 TIP3 H1 -24.45178 15.04697 2.46001 W16 201 0.00000 2619 632 TIP3 H2 -25.43532 15.68448 3.41819 W16 201 0.00000 2620 633 TIP3 OH2 -24.89547 18.15334 -1.04121 W16 206 0.00000 2621 633 TIP3 H1 -25.42913 18.93749 -1.16981 W16 206 0.00000 2622 633 TIP3 H2 -25.00033 17.65601 -1.85231 W16 206 0.00000 2623 634 TIP3 OH2 21.84850 -0.78297 -22.38029 W18 49 0.00000 2624 634 TIP3 H1 22.15884 -1.37850 -23.06238 W18 49 0.00000 2625 634 TIP3 H2 20.94055 -0.59662 -22.61933 W18 49 0.00000 2626 635 TIP3 OH2 18.00942 1.96369 -21.24507 W18 77 0.00000 2627 635 TIP3 H1 18.55759 2.73618 -21.10718 W18 77 0.00000 2628 635 TIP3 H2 17.92704 1.56976 -20.37659 W18 77 0.00000 2629 636 TIP3 OH2 22.56877 -2.56583 -24.67585 W18 93 0.00000 2630 636 TIP3 H1 22.16679 -1.87828 -25.20681 W18 93 0.00000 2631 636 TIP3 H2 23.47009 -2.27153 -24.54450 W18 93 0.00000 2632 637 TIP3 OH2 19.26456 2.53525 -24.55101 W18 103 0.00000 2633 637 TIP3 H1 19.37893 2.69559 -25.48772 W18 103 0.00000 2634 637 TIP3 H2 19.64732 3.30362 -24.12753 W18 103 0.00000 2635 638 TIP3 OH2 22.71559 4.96959 -24.87958 W18 123 0.00000 2636 638 TIP3 H1 22.82378 5.91179 -24.75002 W18 123 0.00000 2637 638 TIP3 H2 23.17800 4.57129 -24.14218 W18 123 0.00000 2638 639 TIP3 OH2 16.93283 0.26908 -26.11485 W18 129 0.00000 2639 639 TIP3 H1 16.82233 -0.34707 -26.83901 W18 129 0.00000 2640 639 TIP3 H2 16.96488 -0.28252 -25.33323 W18 129 0.00000 2641 640 TIP3 OH2 24.15648 4.34525 -22.55893 W18 159 0.00000 2642 640 TIP3 H1 23.45468 3.84962 -22.13695 W18 159 0.00000 2643 640 TIP3 H2 24.65466 4.72121 -21.83321 W18 159 0.00000 2644 641 TIP3 OH2 22.06169 2.25428 -22.16470 W18 160 0.00000 2645 641 TIP3 H1 22.22964 2.17377 -23.10360 W18 160 0.00000 2646 641 TIP3 H2 22.10711 1.35682 -21.83495 W18 160 0.00000 2647 642 TIP3 OH2 19.34022 -3.12811 -24.45833 W18 161 0.00000 2648 642 TIP3 H1 18.53515 -3.17232 -24.97420 W18 161 0.00000 2649 642 TIP3 H2 19.04085 -3.04574 -23.55290 W18 161 0.00000 2650 643 TIP3 OH2 22.24832 1.81172 -24.98520 W18 165 0.00000 2651 643 TIP3 H1 21.29128 1.82730 -24.99157 W18 165 0.00000 2652 643 TIP3 H2 22.49945 2.14022 -25.84847 W18 165 0.00000 2653 644 TIP3 OH2 16.70154 3.83458 -24.75860 W18 189 0.00000 2654 644 TIP3 H1 17.52377 3.34715 -24.80922 W18 189 0.00000 2655 644 TIP3 H2 16.24422 3.45643 -24.00754 W18 189 0.00000 2656 645 TIP3 OH2 20.24297 5.02853 -23.42037 W18 195 0.00000 2657 645 TIP3 H1 19.95682 5.84007 -23.00114 W18 195 0.00000 2658 645 TIP3 H2 21.06195 5.26044 -23.85822 W18 195 0.00000 2659 646 TIP3 OH2 19.42063 0.29390 -22.94474 W18 216 0.00000 2660 646 TIP3 H1 19.30812 0.77700 -23.76339 W18 216 0.00000 2661 646 TIP3 H2 18.91798 0.79269 -22.30071 W18 216 0.00000 2662 647 TIP3 OH2 12.56736 -8.22297 -27.02485 W19 1 0.00000 2663 647 TIP3 H1 12.40035 -7.53527 -26.38033 W19 1 0.00000 2664 647 TIP3 H2 12.67236 -7.75509 -27.85327 W19 1 0.00000 2665 648 TIP3 OH2 9.82521 -10.64318 -27.09311 W19 2 0.00000 2666 648 TIP3 H1 9.54519 -11.53132 -27.31454 W19 2 0.00000 2667 648 TIP3 H2 10.27991 -10.33269 -27.87610 W19 2 0.00000 2668 649 TIP3 OH2 12.44854 -8.78683 -23.22923 W19 4 0.00000 2669 649 TIP3 H1 12.09448 -9.42056 -23.85313 W19 4 0.00000 2670 649 TIP3 H2 11.77976 -8.72186 -22.54752 W19 4 0.00000 2671 650 TIP3 OH2 3.91311 -5.78299 -28.81321 W19 5 0.00000 2672 650 TIP3 H1 4.18049 -5.94808 -29.71735 W19 5 0.00000 2673 650 TIP3 H2 4.56580 -6.23992 -28.28269 W19 5 0.00000 2674 651 TIP3 OH2 8.68015 -4.56260 -21.68141 W19 8 0.00000 2675 651 TIP3 H1 9.50081 -5.03811 -21.81036 W19 8 0.00000 2676 651 TIP3 H2 8.00829 -5.24412 -21.66270 W19 8 0.00000 2677 652 TIP3 OH2 7.67005 -8.75564 -26.41003 W19 9 0.00000 2678 652 TIP3 H1 8.49759 -8.91775 -26.86294 W19 9 0.00000 2679 652 TIP3 H2 7.69950 -9.32872 -25.64391 W19 9 0.00000 2680 653 TIP3 OH2 11.41412 -13.75803 -27.94424 W19 11 0.00000 2681 653 TIP3 H1 11.81117 -14.44987 -28.47333 W19 11 0.00000 2682 653 TIP3 H2 11.89340 -12.96567 -28.18649 W19 11 0.00000 2683 654 TIP3 OH2 13.94880 -18.45188 -23.95523 W19 16 0.00000 2684 654 TIP3 H1 13.33397 -17.72010 -24.00733 W19 16 0.00000 2685 654 TIP3 H2 13.40048 -19.21287 -23.76422 W19 16 0.00000 2686 655 TIP3 OH2 12.20328 -5.78328 -25.74502 W19 18 0.00000 2687 655 TIP3 H1 12.68142 -5.33242 -26.44096 W19 18 0.00000 2688 655 TIP3 H2 11.65974 -5.10293 -25.34763 W19 18 0.00000 2689 656 TIP3 OH2 5.11592 -9.89534 -27.91346 W19 19 0.00000 2690 656 TIP3 H1 4.35413 -9.31889 -27.97358 W19 19 0.00000 2691 656 TIP3 H2 5.61766 -9.55359 -27.17340 W19 19 0.00000 2692 657 TIP3 OH2 2.87468 -8.57971 -27.40325 W19 22 0.00000 2693 657 TIP3 H1 2.83011 -7.73969 -26.94654 W19 22 0.00000 2694 657 TIP3 H2 2.05015 -8.63424 -27.88638 W19 22 0.00000 2695 658 TIP3 OH2 10.61141 -9.29666 -20.87936 W19 24 0.00000 2696 658 TIP3 H1 9.85640 -9.05165 -21.41429 W19 24 0.00000 2697 658 TIP3 H2 10.58515 -8.69348 -20.13660 W19 24 0.00000 2698 659 TIP3 OH2 11.10226 -5.27658 -21.98200 W19 27 0.00000 2699 659 TIP3 H1 11.94485 -5.56643 -22.33166 W19 27 0.00000 2700 659 TIP3 H2 11.32436 -4.57021 -21.37541 W19 27 0.00000 2701 660 TIP3 OH2 13.56931 -6.06833 -23.10544 W19 28 0.00000 2702 660 TIP3 H1 14.03523 -6.03488 -23.94092 W19 28 0.00000 2703 660 TIP3 H2 13.20059 -6.95101 -23.07145 W19 28 0.00000 2704 661 TIP3 OH2 9.51953 -13.23746 -20.11120 W19 29 0.00000 2705 661 TIP3 H1 10.30273 -13.18564 -20.65905 W19 29 0.00000 2706 661 TIP3 H2 9.57760 -12.47408 -19.53666 W19 29 0.00000 2707 662 TIP3 OH2 13.25686 -15.00226 -21.96803 W19 32 0.00000 2708 662 TIP3 H1 12.53088 -14.38109 -21.91036 W19 32 0.00000 2709 662 TIP3 H2 14.03674 -14.47732 -21.78790 W19 32 0.00000 2710 663 TIP3 OH2 15.23185 -8.23217 -26.50341 W19 33 0.00000 2711 663 TIP3 H1 14.28575 -8.21800 -26.64808 W19 33 0.00000 2712 663 TIP3 H2 15.46474 -9.16023 -26.52950 W19 33 0.00000 2713 664 TIP3 OH2 9.72686 -15.46025 -24.76644 W19 34 0.00000 2714 664 TIP3 H1 9.14442 -15.35916 -24.01359 W19 34 0.00000 2715 664 TIP3 H2 9.69329 -14.61335 -25.21126 W19 34 0.00000 2716 665 TIP3 OH2 6.17789 -6.23957 -26.93497 W19 36 0.00000 2717 665 TIP3 H1 6.81190 -6.08938 -27.63619 W19 36 0.00000 2718 665 TIP3 H2 6.45708 -7.06117 -26.53093 W19 36 0.00000 2719 666 TIP3 OH2 6.42940 -9.64736 -30.39068 W19 37 0.00000 2720 666 TIP3 H1 7.27435 -9.24624 -30.18719 W19 37 0.00000 2721 666 TIP3 H2 6.00359 -9.75456 -29.54014 W19 37 0.00000 2722 667 TIP3 OH2 8.31179 -8.57100 -22.27105 W19 38 0.00000 2723 667 TIP3 H1 7.49884 -8.48130 -21.77377 W19 38 0.00000 2724 667 TIP3 H2 8.17452 -9.34457 -22.81784 W19 38 0.00000 2725 668 TIP3 OH2 2.40490 -10.15266 -25.29872 W19 39 0.00000 2726 668 TIP3 H1 1.63308 -9.83091 -24.83290 W19 39 0.00000 2727 668 TIP3 H2 2.47981 -9.58086 -26.06270 W19 39 0.00000 2728 669 TIP3 OH2 16.30164 -6.87104 -28.58621 W19 40 0.00000 2729 669 TIP3 H1 16.14007 -7.46213 -27.85086 W19 40 0.00000 2730 669 TIP3 H2 16.90297 -6.21297 -28.23750 W19 40 0.00000 2731 670 TIP3 OH2 2.13314 -11.14630 -30.14380 W19 41 0.00000 2732 670 TIP3 H1 1.49746 -11.20162 -29.43030 W19 41 0.00000 2733 670 TIP3 H2 1.72831 -10.55760 -30.78079 W19 41 0.00000 2734 671 TIP3 OH2 10.25014 -3.91218 -24.46555 W19 42 0.00000 2735 671 TIP3 H1 9.94916 -4.39129 -23.69348 W19 42 0.00000 2736 671 TIP3 H2 9.78407 -3.07702 -24.42650 W19 42 0.00000 2737 672 TIP3 OH2 0.03187 -8.69378 -24.83687 W19 43 0.00000 2738 672 TIP3 H1 0.71387 -8.15534 -25.23835 W19 43 0.00000 2739 672 TIP3 H2 -0.70771 -8.63459 -25.44164 W19 43 0.00000 2740 673 TIP3 OH2 18.72863 -3.21575 -21.85358 W19 46 0.00000 2741 673 TIP3 H1 18.35084 -2.72787 -21.12182 W19 46 0.00000 2742 673 TIP3 H2 19.47153 -3.68350 -21.47209 W19 46 0.00000 2743 674 TIP3 OH2 1.15616 -3.94343 -30.56497 W19 48 0.00000 2744 674 TIP3 H1 1.84766 -4.34229 -30.03682 W19 48 0.00000 2745 674 TIP3 H2 0.46174 -3.74120 -29.93799 W19 48 0.00000 2746 675 TIP3 OH2 9.27782 -13.35365 -16.09497 W19 49 0.00000 2747 675 TIP3 H1 9.58817 -13.94917 -16.77705 W19 49 0.00000 2748 675 TIP3 H2 8.36988 -13.16729 -16.33400 W19 49 0.00000 2749 676 TIP3 OH2 4.15469 -9.88126 -22.76804 W19 50 0.00000 2750 676 TIP3 H1 3.62090 -9.67605 -22.00046 W19 50 0.00000 2751 676 TIP3 H2 3.52295 -9.97913 -23.48047 W19 50 0.00000 2752 677 TIP3 OH2 9.96958 -0.70858 -23.37472 W19 51 0.00000 2753 677 TIP3 H1 10.59073 -0.13331 -23.82133 W19 51 0.00000 2754 677 TIP3 H2 9.59610 -0.16566 -22.68047 W19 51 0.00000 2755 678 TIP3 OH2 4.95500 -0.58784 -27.81970 W19 52 0.00000 2756 678 TIP3 H1 4.58658 -1.45626 -27.65743 W19 52 0.00000 2757 678 TIP3 H2 4.67664 -0.37151 -28.70961 W19 52 0.00000 2758 679 TIP3 OH2 14.31782 -0.30792 -22.87022 W19 53 0.00000 2759 679 TIP3 H1 15.12967 -0.61530 -23.27350 W19 53 0.00000 2760 679 TIP3 H2 13.79849 -1.10156 -22.74116 W19 53 0.00000 2761 680 TIP3 OH2 12.28897 -2.07987 -22.22414 W19 54 0.00000 2762 680 TIP3 H1 11.51310 -1.82053 -22.72112 W19 54 0.00000 2763 680 TIP3 H2 12.32669 -3.03174 -22.31750 W19 54 0.00000 2764 681 TIP3 OH2 9.89458 -18.39562 -23.50474 W19 55 0.00000 2765 681 TIP3 H1 9.94329 -17.45903 -23.69614 W19 55 0.00000 2766 681 TIP3 H2 10.42870 -18.80747 -24.18394 W19 55 0.00000 2767 682 TIP3 OH2 0.53478 -8.52043 -28.48393 W19 56 0.00000 2768 682 TIP3 H1 0.22629 -9.40649 -28.29428 W19 56 0.00000 2769 682 TIP3 H2 0.22907 -8.34523 -29.37391 W19 56 0.00000 2770 683 TIP3 OH2 10.14191 -17.57376 -26.70562 W19 59 0.00000 2771 683 TIP3 H1 9.30940 -18.01800 -26.86631 W19 59 0.00000 2772 683 TIP3 H2 9.89704 -16.75079 -26.28256 W19 59 0.00000 2773 684 TIP3 OH2 5.80995 -16.34151 -26.65299 W19 65 0.00000 2774 684 TIP3 H1 5.45596 -16.83772 -27.39104 W19 65 0.00000 2775 684 TIP3 H2 6.08927 -17.00934 -26.02672 W19 65 0.00000 2776 685 TIP3 OH2 13.10429 -11.67938 -28.76235 W19 66 0.00000 2777 685 TIP3 H1 13.24866 -10.73378 -28.72724 W19 66 0.00000 2778 685 TIP3 H2 13.79254 -12.00587 -29.34195 W19 66 0.00000 2779 686 TIP3 OH2 8.95337 -13.45609 -26.60390 W19 71 0.00000 2780 686 TIP3 H1 9.80800 -13.55597 -27.02325 W19 71 0.00000 2781 686 TIP3 H2 8.39775 -14.10642 -27.03356 W19 71 0.00000 2782 687 TIP3 OH2 5.43875 -10.60698 -14.95974 W19 77 0.00000 2783 687 TIP3 H1 5.98691 -9.83450 -14.82186 W19 77 0.00000 2784 687 TIP3 H2 5.35636 -11.00092 -14.09127 W19 77 0.00000 2785 688 TIP3 OH2 -0.05935 -11.22893 -28.37566 W19 78 0.00000 2786 688 TIP3 H1 -0.03035 -11.67758 -27.53062 W19 78 0.00000 2787 688 TIP3 H2 -0.99131 -11.17622 -28.58754 W19 78 0.00000 2788 689 TIP3 OH2 10.33254 -11.45933 -29.83880 W19 79 0.00000 2789 689 TIP3 H1 11.25557 -11.64698 -30.00915 W19 79 0.00000 2790 689 TIP3 H2 9.88219 -12.28383 -30.02220 W19 79 0.00000 2791 690 TIP3 OH2 8.34470 -13.68515 -31.02399 W19 81 0.00000 2792 690 TIP3 H1 7.56291 -13.17752 -31.24159 W19 81 0.00000 2793 690 TIP3 H2 8.10079 -14.17727 -30.24006 W19 81 0.00000 2794 691 TIP3 OH2 11.37801 -13.00040 -22.17369 W19 83 0.00000 2795 691 TIP3 H1 12.01624 -12.54742 -21.62261 W19 83 0.00000 2796 691 TIP3 H2 11.09511 -12.33975 -22.80594 W19 83 0.00000 2797 692 TIP3 OH2 5.64028 -12.05594 -24.40976 W19 85 0.00000 2798 692 TIP3 H1 4.99930 -12.73329 -24.62554 W19 85 0.00000 2799 692 TIP3 H2 5.14831 -11.41456 -23.89708 W19 85 0.00000 2800 693 TIP3 OH2 13.76068 -3.26764 -27.22671 W19 88 0.00000 2801 693 TIP3 H1 13.03399 -2.87238 -26.74513 W19 88 0.00000 2802 693 TIP3 H2 13.36769 -3.57694 -28.04287 W19 88 0.00000 2803 694 TIP3 OH2 3.65708 -14.58087 -27.24391 W19 90 0.00000 2804 694 TIP3 H1 4.11176 -13.99597 -27.85002 W19 90 0.00000 2805 694 TIP3 H2 4.35849 -15.03095 -26.77308 W19 90 0.00000 2806 695 TIP3 OH2 6.35300 -11.13203 -21.28499 W19 91 0.00000 2807 695 TIP3 H1 5.86994 -10.53126 -21.85240 W19 91 0.00000 2808 695 TIP3 H2 5.67551 -11.58470 -20.78267 W19 91 0.00000 2809 696 TIP3 OH2 20.51412 -10.45745 -26.51182 W19 92 0.00000 2810 696 TIP3 H1 20.72478 -10.08862 -27.36961 W19 92 0.00000 2811 696 TIP3 H2 20.46264 -9.69877 -25.93045 W19 92 0.00000 2812 697 TIP3 OH2 9.99810 -15.13650 -18.39052 W19 93 0.00000 2813 697 TIP3 H1 9.59611 -14.44896 -18.92149 W19 93 0.00000 2814 697 TIP3 H2 10.89941 -14.84221 -18.25918 W19 93 0.00000 2815 698 TIP3 OH2 16.13875 -4.34195 -21.63594 W19 94 0.00000 2816 698 TIP3 H1 15.95933 -4.97410 -22.33192 W19 94 0.00000 2817 698 TIP3 H2 16.98311 -3.95800 -21.87230 W19 94 0.00000 2818 699 TIP3 OH2 11.29557 -11.53757 -24.64998 W19 95 0.00000 2819 699 TIP3 H1 10.77201 -11.36463 -25.43242 W19 95 0.00000 2820 699 TIP3 H2 12.07539 -11.98588 -24.97730 W19 95 0.00000 2821 700 TIP3 OH2 7.45981 -3.58848 -28.02471 W19 96 0.00000 2822 700 TIP3 H1 7.68689 -3.11518 -27.22431 W19 96 0.00000 2823 700 TIP3 H2 6.99913 -2.94409 -28.56207 W19 96 0.00000 2824 701 TIP3 OH2 9.47268 -5.33985 -28.77242 W19 98 0.00000 2825 701 TIP3 H1 8.97584 -4.67025 -28.30229 W19 98 0.00000 2826 701 TIP3 H2 8.86761 -5.66315 -29.43997 W19 98 0.00000 2827 702 TIP3 OH2 4.22259 -6.95524 -23.55804 W19 99 0.00000 2828 702 TIP3 H1 4.33509 -6.35065 -22.82454 W19 99 0.00000 2829 702 TIP3 H2 4.18046 -7.82073 -23.15138 W19 99 0.00000 2830 703 TIP3 OH2 7.22400 -1.24985 -26.45412 W19 100 0.00000 2831 703 TIP3 H1 6.52123 -0.89693 -26.99982 W19 100 0.00000 2832 703 TIP3 H2 6.95512 -1.04980 -25.55751 W19 100 0.00000 2833 704 TIP3 OH2 8.08524 -10.53760 -23.89576 W19 101 0.00000 2834 704 TIP3 H1 7.32634 -11.09846 -24.05609 W19 101 0.00000 2835 704 TIP3 H2 8.84022 -11.10202 -24.06207 W19 101 0.00000 2836 705 TIP3 OH2 16.52823 -3.36845 -25.44982 W19 102 0.00000 2837 705 TIP3 H1 16.35421 -4.27580 -25.19951 W19 102 0.00000 2838 705 TIP3 H2 15.86901 -3.17254 -26.11563 W19 102 0.00000 2839 706 TIP3 OH2 6.69389 -10.03542 -18.26568 W19 103 0.00000 2840 706 TIP3 H1 6.80825 -9.87509 -19.20240 W19 103 0.00000 2841 706 TIP3 H2 7.07665 -9.26705 -17.84220 W19 103 0.00000 2842 707 TIP3 OH2 17.90343 -2.01744 -19.39435 W19 104 0.00000 2843 707 TIP3 H1 18.29716 -1.78145 -18.55441 W19 104 0.00000 2844 707 TIP3 H2 17.02895 -1.62915 -19.36701 W19 104 0.00000 2845 708 TIP3 OH2 16.06359 -6.02682 -25.01547 W19 106 0.00000 2846 708 TIP3 H1 15.75071 -6.79053 -25.50031 W19 106 0.00000 2847 708 TIP3 H2 16.50521 -6.39330 -24.24939 W19 106 0.00000 2848 709 TIP3 OH2 0.30254 -5.16335 -27.77762 W19 107 0.00000 2849 709 TIP3 H1 0.77850 -5.83618 -28.26445 W19 107 0.00000 2850 709 TIP3 H2 -0.21358 -5.65132 -27.13596 W19 107 0.00000 2851 710 TIP3 OH2 11.81036 -1.47253 -26.13566 W19 113 0.00000 2852 710 TIP3 H1 11.06549 -0.90404 -26.33113 W19 113 0.00000 2853 710 TIP3 H2 12.43175 -0.90542 -25.67904 W19 113 0.00000 2854 711 TIP3 OH2 7.55598 -15.21026 -28.64962 W19 115 0.00000 2855 711 TIP3 H1 6.93946 -15.37227 -27.93556 W19 115 0.00000 2856 711 TIP3 H2 8.14578 -15.96398 -28.63310 W19 115 0.00000 2857 712 TIP3 OH2 9.70020 0.12272 -27.22041 W19 117 0.00000 2858 712 TIP3 H1 9.87469 0.93609 -26.74691 W19 117 0.00000 2859 712 TIP3 H2 8.87648 -0.19718 -26.85247 W19 117 0.00000 2860 713 TIP3 OH2 13.58759 -12.32820 -26.03018 W19 120 0.00000 2861 713 TIP3 H1 13.41321 -12.12000 -26.94804 W19 120 0.00000 2862 713 TIP3 H2 13.78717 -13.26436 -26.03018 W19 120 0.00000 2863 714 TIP3 OH2 10.14492 -7.60108 -18.59425 W19 123 0.00000 2864 714 TIP3 H1 10.25311 -6.65888 -18.46469 W19 123 0.00000 2865 714 TIP3 H2 10.60733 -7.99938 -17.85685 W19 123 0.00000 2866 715 TIP3 OH2 -3.75443 -6.54352 -25.59523 W19 126 0.00000 2867 715 TIP3 H1 -3.82869 -7.37460 -25.12617 W19 126 0.00000 2868 715 TIP3 H2 -3.68026 -6.79355 -26.51621 W19 126 0.00000 2869 716 TIP3 OH2 -1.40962 -9.87661 -22.71056 W19 127 0.00000 2870 716 TIP3 H1 -0.97212 -10.66575 -22.39106 W19 127 0.00000 2871 716 TIP3 H2 -0.72862 -9.40025 -23.18546 W19 127 0.00000 2872 717 TIP3 OH2 13.89888 0.84799 -26.51882 W19 128 0.00000 2873 717 TIP3 H1 13.46575 0.42762 -27.26172 W19 128 0.00000 2874 717 TIP3 H2 14.73827 0.39435 -26.44228 W19 128 0.00000 2875 718 TIP3 OH2 4.36215 -12.30160 -19.82953 W19 129 0.00000 2876 718 TIP3 H1 4.25166 -12.91774 -20.55368 W19 129 0.00000 2877 718 TIP3 H2 4.39421 -12.85319 -19.04790 W19 129 0.00000 2878 719 TIP3 OH2 16.87355 -0.96464 -23.49336 W19 130 0.00000 2879 719 TIP3 H1 17.02527 -1.89044 -23.68343 W19 130 0.00000 2880 719 TIP3 H2 17.66297 -0.68191 -23.03173 W19 130 0.00000 2881 720 TIP3 OH2 -2.38955 -11.27518 -29.46551 W19 131 0.00000 2882 720 TIP3 H1 -1.80199 -11.73360 -30.06621 W19 131 0.00000 2883 720 TIP3 H2 -2.67461 -10.50177 -29.95213 W19 131 0.00000 2884 721 TIP3 OH2 2.43583 -13.13560 -25.23768 W19 133 0.00000 2885 721 TIP3 H1 2.69798 -12.27402 -25.56198 W19 133 0.00000 2886 721 TIP3 H2 2.90905 -13.75522 -25.79298 W19 133 0.00000 2887 722 TIP3 OH2 8.03145 -13.35877 -22.34310 W19 135 0.00000 2888 722 TIP3 H1 8.41204 -13.13529 -21.49374 W19 135 0.00000 2889 722 TIP3 H2 7.29037 -12.76056 -22.43890 W19 135 0.00000 2890 723 TIP3 OH2 -0.51451 -13.03246 -30.97021 W19 136 0.00000 2891 723 TIP3 H1 0.12397 -13.65944 -31.31001 W19 136 0.00000 2892 723 TIP3 H2 -1.30674 -13.55032 -30.82728 W19 136 0.00000 2893 724 TIP3 OH2 4.19779 -13.25862 -29.87505 W19 138 0.00000 2894 724 TIP3 H1 3.37366 -12.78970 -29.74405 W19 138 0.00000 2895 724 TIP3 H2 4.87566 -12.60348 -29.70917 W19 138 0.00000 2896 725 TIP3 OH2 4.53551 -15.46919 -23.78832 W19 140 0.00000 2897 725 TIP3 H1 5.16122 -15.71269 -23.10610 W19 140 0.00000 2898 725 TIP3 H2 4.25276 -16.30322 -24.16340 W19 140 0.00000 2899 726 TIP3 OH2 20.50935 -5.41411 -25.50643 W19 141 0.00000 2900 726 TIP3 H1 21.01060 -5.06379 -26.24280 W19 141 0.00000 2901 726 TIP3 H2 20.36978 -4.66164 -24.93151 W19 141 0.00000 2902 727 TIP3 OH2 4.58414 -15.85656 -31.05131 W19 142 0.00000 2903 727 TIP3 H1 5.32851 -15.99115 -31.63784 W19 142 0.00000 2904 727 TIP3 H2 4.69909 -14.96668 -30.71797 W19 142 0.00000 2905 728 TIP3 OH2 6.15584 -12.47007 -27.93815 W19 144 0.00000 2906 728 TIP3 H1 7.09039 -12.44225 -27.73307 W19 144 0.00000 2907 728 TIP3 H2 5.82947 -11.60561 -27.68831 W19 144 0.00000 2908 729 TIP3 OH2 6.47550 -18.75085 -24.77478 W19 145 0.00000 2909 729 TIP3 H1 6.98831 -19.36123 -25.30458 W19 145 0.00000 2910 729 TIP3 H2 6.91258 -18.74645 -23.92321 W19 145 0.00000 2911 730 TIP3 OH2 7.70563 -16.04892 -22.67886 W19 146 0.00000 2912 730 TIP3 H1 7.66656 -15.09703 -22.58609 W19 146 0.00000 2913 730 TIP3 H2 8.45874 -16.31094 -22.14933 W19 146 0.00000 2914 731 TIP3 OH2 1.89607 -15.82491 -30.62947 W19 147 0.00000 2915 731 TIP3 H1 1.70233 -15.78407 -31.56597 W19 147 0.00000 2916 731 TIP3 H2 2.85157 -15.85827 -30.58330 W19 147 0.00000 2917 732 TIP3 OH2 5.19773 -17.57745 -28.80209 W19 149 0.00000 2918 732 TIP3 H1 4.51287 -18.24618 -28.80479 W19 149 0.00000 2919 732 TIP3 H2 5.08431 -17.11444 -29.63214 W19 149 0.00000 2920 733 TIP3 OH2 10.36523 2.27038 -25.75905 W19 155 0.00000 2921 733 TIP3 H1 10.83876 1.96871 -24.98381 W19 155 0.00000 2922 733 TIP3 H2 10.38061 3.22518 -25.69322 W19 155 0.00000 2923 734 TIP3 OH2 2.14368 -0.92871 -29.50585 W19 158 0.00000 2924 734 TIP3 H1 2.09954 -1.51880 -30.25824 W19 158 0.00000 2925 734 TIP3 H2 1.60030 -1.34883 -28.83917 W19 158 0.00000 2926 735 TIP3 OH2 11.58580 -8.22543 -16.27361 W19 159 0.00000 2927 735 TIP3 H1 10.88401 -8.72105 -15.85162 W19 159 0.00000 2928 735 TIP3 H2 12.08399 -7.84946 -15.54788 W19 159 0.00000 2929 736 TIP3 OH2 9.49102 -10.31639 -15.87937 W19 160 0.00000 2930 736 TIP3 H1 9.65897 -10.39690 -16.81827 W19 160 0.00000 2931 736 TIP3 H2 9.53644 -11.21385 -15.54962 W19 160 0.00000 2932 737 TIP3 OH2 6.76954 -15.69879 -18.17301 W19 161 0.00000 2933 737 TIP3 H1 5.96447 -15.74300 -18.68888 W19 161 0.00000 2934 737 TIP3 H2 6.47018 -15.61641 -17.26757 W19 161 0.00000 2935 738 TIP3 OH2 17.87524 -7.63769 -23.29669 W19 162 0.00000 2936 738 TIP3 H1 18.21686 -7.72512 -22.40682 W19 162 0.00000 2937 738 TIP3 H2 17.72082 -8.53761 -23.58396 W19 162 0.00000 2938 739 TIP3 OH2 17.57132 -10.28243 -23.72330 W19 163 0.00000 2939 739 TIP3 H1 16.98170 -10.62525 -24.39490 W19 163 0.00000 2940 739 TIP3 H2 17.40227 -10.82734 -22.95472 W19 163 0.00000 2941 740 TIP3 OH2 13.18397 -11.64415 -20.37814 W19 164 0.00000 2942 740 TIP3 H1 14.05268 -11.98686 -20.16807 W19 164 0.00000 2943 740 TIP3 H2 13.02368 -10.97335 -19.71440 W19 164 0.00000 2944 741 TIP3 OH2 9.67765 -10.75895 -18.69987 W19 165 0.00000 2945 741 TIP3 H1 8.72061 -10.74337 -18.70624 W19 165 0.00000 2946 741 TIP3 H2 9.92877 -10.43046 -19.56315 W19 165 0.00000 2947 742 TIP3 OH2 20.18916 -8.03205 -24.81348 W19 166 0.00000 2948 742 TIP3 H1 20.20170 -7.14121 -25.16344 W19 166 0.00000 2949 742 TIP3 H2 19.49012 -8.02323 -24.15965 W19 166 0.00000 2950 743 TIP3 OH2 16.21364 -10.90614 -25.99746 W19 168 0.00000 2951 743 TIP3 H1 16.44209 -11.47271 -26.73437 W19 168 0.00000 2952 743 TIP3 H2 15.32162 -11.16347 -25.76443 W19 168 0.00000 2953 744 TIP3 OH2 9.70183 -16.30391 -20.90011 W19 170 0.00000 2954 744 TIP3 H1 10.20743 -17.11581 -20.93756 W19 170 0.00000 2955 744 TIP3 H2 9.78939 -16.00825 -19.99394 W19 170 0.00000 2956 745 TIP3 OH2 10.94242 -18.65745 -21.07240 W19 171 0.00000 2957 745 TIP3 H1 10.60348 -18.51185 -21.95566 W19 171 0.00000 2958 745 TIP3 H2 11.64112 -19.30164 -21.18664 W19 171 0.00000 2959 746 TIP3 OH2 17.85143 -11.39625 -28.31458 W19 173 0.00000 2960 746 TIP3 H1 18.25744 -12.17691 -28.69136 W19 173 0.00000 2961 746 TIP3 H2 18.47221 -11.10049 -27.64873 W19 173 0.00000 2962 747 TIP3 OH2 14.44147 -14.83630 -25.70691 W19 174 0.00000 2963 747 TIP3 H1 15.01561 -14.98297 -24.95518 W19 174 0.00000 2964 747 TIP3 H2 13.63603 -15.30528 -25.48884 W19 174 0.00000 2965 748 TIP3 OH2 12.36479 -16.20564 -24.27112 W19 175 0.00000 2966 748 TIP3 H1 11.46955 -15.98997 -24.53234 W19 175 0.00000 2967 748 TIP3 H2 12.52628 -15.66439 -23.49833 W19 175 0.00000 2968 749 TIP3 OH2 12.33344 -4.12645 -19.86385 W19 184 0.00000 2969 749 TIP3 H1 13.28962 -4.17035 -19.86355 W19 184 0.00000 2970 749 TIP3 H2 12.08027 -4.40168 -18.98273 W19 184 0.00000 2971 750 TIP3 OH2 -2.08185 -8.99735 -26.80691 W19 186 0.00000 2972 750 TIP3 H1 -2.38021 -8.30031 -27.39115 W19 186 0.00000 2973 750 TIP3 H2 -2.83911 -9.57592 -26.71726 W19 186 0.00000 2974 751 TIP3 OH2 2.05738 -6.83829 -25.43516 W19 187 0.00000 2975 751 TIP3 H1 1.69253 -5.96840 -25.27270 W19 187 0.00000 2976 751 TIP3 H2 2.83311 -6.88143 -24.87604 W19 187 0.00000 2977 752 TIP3 OH2 2.49222 -9.31559 -20.64195 W19 188 0.00000 2978 752 TIP3 H1 2.14117 -10.18478 -20.44836 W19 188 0.00000 2979 752 TIP3 H2 3.16796 -9.17644 -19.97843 W19 188 0.00000 2980 753 TIP3 OH2 4.13086 -8.73610 -18.47328 W19 189 0.00000 2981 753 TIP3 H1 4.95310 -9.22352 -18.52389 W19 189 0.00000 2982 753 TIP3 H2 3.67355 -9.11424 -17.72221 W19 189 0.00000 2983 754 TIP3 OH2 -0.79199 -3.83294 -24.98061 W19 191 0.00000 2984 754 TIP3 H1 -1.11811 -2.99860 -25.31786 W19 191 0.00000 2985 754 TIP3 H2 -1.51782 -4.44370 -25.10857 W19 191 0.00000 2986 755 TIP3 OH2 1.63290 -4.27492 -23.92561 W19 192 0.00000 2987 755 TIP3 H1 0.76309 -4.20810 -24.31956 W19 192 0.00000 2988 755 TIP3 H2 1.93643 -3.36956 -23.85910 W19 192 0.00000 2989 756 TIP3 OH2 5.36025 -5.37024 -21.13477 W19 193 0.00000 2990 756 TIP3 H1 5.31563 -4.42929 -21.30458 W19 193 0.00000 2991 756 TIP3 H2 4.78425 -5.50590 -20.38240 W19 193 0.00000 2992 757 TIP3 OH2 6.65600 -7.52416 -20.01603 W19 194 0.00000 2993 757 TIP3 H1 6.17510 -6.93541 -20.59770 W19 194 0.00000 2994 757 TIP3 H2 6.70127 -7.05453 -19.18320 W19 194 0.00000 2995 758 TIP3 OH2 7.67230 -7.54214 -17.13504 W19 195 0.00000 2996 758 TIP3 H1 7.38614 -6.73061 -16.71582 W19 195 0.00000 2997 758 TIP3 H2 8.49128 -7.31023 -17.57289 W19 195 0.00000 2998 759 TIP3 OH2 1.33668 -2.49583 -27.31851 W19 196 0.00000 2999 759 TIP3 H1 0.89475 -3.34485 -27.32870 W19 196 0.00000 3000 759 TIP3 H2 2.25189 -2.70391 -27.13058 W19 196 0.00000 3001 760 TIP3 OH2 4.09093 -3.17302 -27.19940 W19 197 0.00000 3002 760 TIP3 H1 4.13733 -3.82395 -27.89966 W19 197 0.00000 3003 760 TIP3 H2 4.28297 -3.66516 -26.40118 W19 197 0.00000 3004 761 TIP3 OH2 5.05993 -4.27134 -24.91167 W19 198 0.00000 3005 761 TIP3 H1 5.68895 -4.74299 -25.45766 W19 198 0.00000 3006 761 TIP3 H2 4.47807 -4.95194 -24.57336 W19 198 0.00000 3007 762 TIP3 OH2 12.22319 0.70877 -24.42974 W19 210 0.00000 3008 762 TIP3 H1 12.79708 0.78338 -23.66729 W19 210 0.00000 3009 762 TIP3 H2 12.74773 1.04083 -25.15832 W19 210 0.00000 3010 763 TIP3 OH2 15.05542 -3.60493 -19.35537 W19 211 0.00000 3011 763 TIP3 H1 15.55185 -3.66200 -20.17177 W19 211 0.00000 3012 763 TIP3 H2 15.16556 -2.69779 -19.07043 W19 211 0.00000 3013 764 TIP3 OH2 6.84996 -12.27677 -16.65941 W19 216 0.00000 3014 764 TIP3 H1 6.73745 -11.79367 -17.47806 W19 216 0.00000 3015 764 TIP3 H2 6.34731 -11.77798 -16.01538 W19 216 0.00000 3016 765 TIP3 OH2 -0.00331 -20.79364 -20.73952 W20 1 0.00000 3017 765 TIP3 H1 -0.17032 -20.10594 -20.09500 W20 1 0.00000 3018 765 TIP3 H2 0.10169 -20.32576 -21.56794 W20 1 0.00000 3019 766 TIP3 OH2 -2.74547 -23.21386 -20.80779 W20 2 0.00000 3020 766 TIP3 H1 -3.02548 -24.10199 -21.02921 W20 2 0.00000 3021 766 TIP3 H2 -2.29076 -22.90336 -21.59077 W20 2 0.00000 3022 767 TIP3 OH2 -0.12214 -21.35751 -16.94391 W20 4 0.00000 3023 767 TIP3 H1 -0.47620 -21.99124 -17.56781 W20 4 0.00000 3024 767 TIP3 H2 -0.79091 -21.29253 -16.26219 W20 4 0.00000 3025 768 TIP3 OH2 -8.65756 -18.35366 -22.52788 W20 5 0.00000 3026 768 TIP3 H1 -8.39018 -18.51875 -23.43202 W20 5 0.00000 3027 768 TIP3 H2 -8.00488 -18.81060 -21.99737 W20 5 0.00000 3028 769 TIP3 OH2 -3.89052 -17.13327 -15.39608 W20 8 0.00000 3029 769 TIP3 H1 -3.06986 -17.60878 -15.52503 W20 8 0.00000 3030 769 TIP3 H2 -4.56238 -17.81479 -15.37737 W20 8 0.00000 3031 770 TIP3 OH2 -4.90062 -21.32631 -20.12470 W20 9 0.00000 3032 770 TIP3 H1 -4.07308 -21.48842 -20.57761 W20 9 0.00000 3033 770 TIP3 H2 -4.87118 -21.89940 -19.35859 W20 9 0.00000 3034 771 TIP3 OH2 -1.15655 -26.32870 -21.65891 W20 11 0.00000 3035 771 TIP3 H1 -0.75950 -27.02054 -22.18800 W20 11 0.00000 3036 771 TIP3 H2 -0.67727 -25.53634 -21.90116 W20 11 0.00000 3037 772 TIP3 OH2 2.90191 -24.91514 -23.69494 W20 13 0.00000 3038 772 TIP3 H1 3.02591 -25.76625 -23.27486 W20 13 0.00000 3039 772 TIP3 H2 3.48448 -24.32461 -23.21733 W20 13 0.00000 3040 773 TIP3 OH2 -3.38490 -21.44013 -24.58914 W20 15 0.00000 3041 773 TIP3 H1 -3.13828 -22.33607 -24.35958 W20 15 0.00000 3042 773 TIP3 H2 -3.29317 -21.40241 -25.54118 W20 15 0.00000 3043 774 TIP3 OH2 1.37812 -31.02256 -17.66991 W20 16 0.00000 3044 774 TIP3 H1 0.76330 -30.29077 -17.72200 W20 16 0.00000 3045 774 TIP3 H2 0.82981 -31.78354 -17.47889 W20 16 0.00000 3046 775 TIP3 OH2 -0.36739 -18.35395 -19.45969 W20 18 0.00000 3047 775 TIP3 H1 0.11074 -17.90310 -20.15564 W20 18 0.00000 3048 775 TIP3 H2 -0.91094 -17.67361 -19.06231 W20 18 0.00000 3049 776 TIP3 OH2 -6.02682 -13.93151 -26.99603 W20 23 0.00000 3050 776 TIP3 H1 -5.69199 -13.09567 -27.32081 W20 23 0.00000 3051 776 TIP3 H2 -6.58275 -13.69513 -26.25355 W20 23 0.00000 3052 777 TIP3 OH2 -1.95927 -21.86734 -14.59404 W20 24 0.00000 3053 777 TIP3 H1 -2.71428 -21.62233 -15.12897 W20 24 0.00000 3054 777 TIP3 H2 -1.98552 -21.26415 -13.85127 W20 24 0.00000 3055 778 TIP3 OH2 -1.46841 -17.84725 -15.69667 W20 27 0.00000 3056 778 TIP3 H1 -0.62582 -18.13710 -16.04633 W20 27 0.00000 3057 778 TIP3 H2 -1.24631 -17.14088 -15.09008 W20 27 0.00000 3058 779 TIP3 OH2 0.99864 -18.63900 -16.82011 W20 28 0.00000 3059 779 TIP3 H1 1.46456 -18.60555 -17.65559 W20 28 0.00000 3060 779 TIP3 H2 0.62992 -19.52168 -16.78612 W20 28 0.00000 3061 780 TIP3 OH2 -3.05114 -25.80813 -13.82587 W20 29 0.00000 3062 780 TIP3 H1 -2.26794 -25.75631 -14.37372 W20 29 0.00000 3063 780 TIP3 H2 -2.99307 -25.04475 -13.25133 W20 29 0.00000 3064 781 TIP3 OH2 1.09483 -19.17275 -22.94535 W20 30 0.00000 3065 781 TIP3 H1 0.67684 -18.34432 -23.18032 W20 30 0.00000 3066 781 TIP3 H2 1.97714 -18.92619 -22.66794 W20 30 0.00000 3067 782 TIP3 OH2 3.61930 -18.24477 -24.92495 W20 31 0.00000 3068 782 TIP3 H1 3.64480 -18.89757 -24.22536 W20 31 0.00000 3069 782 TIP3 H2 4.46755 -18.32684 -25.36080 W20 31 0.00000 3070 783 TIP3 OH2 0.68618 -27.57294 -15.68271 W20 32 0.00000 3071 783 TIP3 H1 -0.03979 -26.95176 -15.62503 W20 32 0.00000 3072 783 TIP3 H2 1.46607 -27.04799 -15.50257 W20 32 0.00000 3073 784 TIP3 OH2 2.66118 -20.80284 -20.21808 W20 33 0.00000 3074 784 TIP3 H1 1.71508 -20.78867 -20.36275 W20 33 0.00000 3075 784 TIP3 H2 2.89407 -21.73090 -20.24417 W20 33 0.00000 3076 785 TIP3 OH2 -2.84381 -28.03092 -18.48111 W20 34 0.00000 3077 785 TIP3 H1 -3.42625 -27.92983 -17.72826 W20 34 0.00000 3078 785 TIP3 H2 -2.87739 -27.18403 -18.92594 W20 34 0.00000 3079 786 TIP3 OH2 -4.37379 -18.85256 -24.73993 W20 35 0.00000 3080 786 TIP3 H1 -3.92502 -18.44397 -25.48012 W20 35 0.00000 3081 786 TIP3 H2 -3.98920 -19.72698 -24.67911 W20 35 0.00000 3082 787 TIP3 OH2 -6.39279 -18.81025 -20.64965 W20 36 0.00000 3083 787 TIP3 H1 -5.75878 -18.66006 -21.35087 W20 36 0.00000 3084 787 TIP3 H2 -6.11359 -19.63184 -20.24560 W20 36 0.00000 3085 788 TIP3 OH2 -4.25889 -21.14168 -15.98573 W20 38 0.00000 3086 788 TIP3 H1 -5.07183 -21.05197 -15.48844 W20 38 0.00000 3087 788 TIP3 H2 -4.39615 -21.91524 -16.53251 W20 38 0.00000 3088 789 TIP3 OH2 3.73097 -19.44171 -22.30088 W20 40 0.00000 3089 789 TIP3 H1 3.56940 -20.03280 -21.56553 W20 40 0.00000 3090 789 TIP3 H2 4.33229 -18.78365 -21.95218 W20 40 0.00000 3091 790 TIP3 OH2 -2.32053 -16.48285 -18.18022 W20 42 0.00000 3092 790 TIP3 H1 -2.62151 -16.96196 -17.40815 W20 42 0.00000 3093 790 TIP3 H2 -2.78660 -15.64769 -18.14117 W20 42 0.00000 3094 791 TIP3 OH2 -3.12960 -17.52921 -26.83703 W20 45 0.00000 3095 791 TIP3 H1 -3.25299 -16.59256 -26.68312 W20 45 0.00000 3096 791 TIP3 H2 -3.25089 -17.63540 -27.78056 W20 45 0.00000 3097 792 TIP3 OH2 6.15796 -15.78642 -15.56825 W20 46 0.00000 3098 792 TIP3 H1 5.78017 -15.29854 -14.83649 W20 46 0.00000 3099 792 TIP3 H2 6.90086 -16.25417 -15.18676 W20 46 0.00000 3100 793 TIP3 OH2 -3.29285 -25.92432 -9.80964 W20 49 0.00000 3101 793 TIP3 H1 -2.98251 -26.51985 -10.49173 W20 49 0.00000 3102 793 TIP3 H2 -4.20079 -25.73796 -10.04867 W20 49 0.00000 3103 794 TIP3 OH2 -8.41599 -22.45194 -16.48272 W20 50 0.00000 3104 794 TIP3 H1 -8.94977 -22.24672 -15.71513 W20 50 0.00000 3105 794 TIP3 H2 -9.04773 -22.54981 -17.19515 W20 50 0.00000 3106 795 TIP3 OH2 -2.60109 -13.27925 -17.08939 W20 51 0.00000 3107 795 TIP3 H1 -1.97994 -12.70398 -17.53600 W20 51 0.00000 3108 795 TIP3 H2 -2.97457 -12.73633 -16.39514 W20 51 0.00000 3109 796 TIP3 OH2 -7.61567 -13.15851 -21.53437 W20 52 0.00000 3110 796 TIP3 H1 -7.98409 -14.02693 -21.37210 W20 52 0.00000 3111 796 TIP3 H2 -7.89404 -12.94219 -22.42429 W20 52 0.00000 3112 797 TIP3 OH2 -0.28170 -14.65054 -15.93881 W20 54 0.00000 3113 797 TIP3 H1 -1.05758 -14.39121 -16.43580 W20 54 0.00000 3114 797 TIP3 H2 -0.24399 -15.60242 -16.03218 W20 54 0.00000 3115 798 TIP3 OH2 5.95171 -17.66545 -21.41752 W20 60 0.00000 3116 798 TIP3 H1 6.67396 -17.20789 -21.84788 W20 60 0.00000 3117 798 TIP3 H2 6.25828 -17.80938 -20.52225 W20 60 0.00000 3118 799 TIP3 OH2 1.55510 -21.66984 -23.71555 W20 64 0.00000 3119 799 TIP3 H1 1.20518 -20.79593 -23.54213 W20 64 0.00000 3120 799 TIP3 H2 2.49170 -21.59385 -23.53323 W20 64 0.00000 3121 800 TIP3 OH2 0.53362 -24.25005 -22.47702 W20 66 0.00000 3122 800 TIP3 H1 0.67798 -23.30446 -22.44192 W20 66 0.00000 3123 800 TIP3 H2 1.22186 -24.57655 -23.05663 W20 66 0.00000 3124 801 TIP3 OH2 -0.14181 -20.25364 -28.01930 W20 74 0.00000 3125 801 TIP3 H1 0.31735 -20.59703 -27.25283 W20 74 0.00000 3126 801 TIP3 H2 -0.07524 -19.30267 -27.93283 W20 74 0.00000 3127 802 TIP3 OH2 0.19839 -17.39324 -28.91827 W20 76 0.00000 3128 802 TIP3 H1 0.42410 -17.00466 -29.76342 W20 76 0.00000 3129 802 TIP3 H2 0.97496 -17.25569 -28.37582 W20 76 0.00000 3130 803 TIP3 OH2 -7.13192 -23.17765 -8.67441 W20 77 0.00000 3131 803 TIP3 H1 -6.58376 -22.40517 -8.53653 W20 77 0.00000 3132 803 TIP3 H2 -7.21431 -23.57159 -7.80594 W20 77 0.00000 3133 804 TIP3 OH2 -2.23814 -24.03001 -23.55348 W20 79 0.00000 3134 804 TIP3 H1 -1.31510 -24.21765 -23.72382 W20 79 0.00000 3135 804 TIP3 H2 -2.68848 -24.85450 -23.73687 W20 79 0.00000 3136 805 TIP3 OH2 -0.39048 -16.75182 -23.00576 W20 82 0.00000 3137 805 TIP3 H1 -0.50312 -16.62703 -23.94808 W20 82 0.00000 3138 805 TIP3 H2 -1.12725 -17.30551 -22.74725 W20 82 0.00000 3139 806 TIP3 OH2 -1.19267 -25.57108 -15.88837 W20 83 0.00000 3140 806 TIP3 H1 -0.55444 -25.11810 -15.33729 W20 83 0.00000 3141 806 TIP3 H2 -1.47556 -24.91042 -16.52061 W20 83 0.00000 3142 807 TIP3 OH2 5.80380 -21.64123 -25.79823 W20 84 0.00000 3143 807 TIP3 H1 5.24164 -21.15325 -26.39995 W20 84 0.00000 3144 807 TIP3 H2 5.51200 -21.37355 -24.92677 W20 84 0.00000 3145 808 TIP3 OH2 -6.93039 -24.62661 -18.12443 W20 85 0.00000 3146 808 TIP3 H1 -7.57137 -25.30396 -18.34021 W20 85 0.00000 3147 808 TIP3 H2 -7.42237 -23.98524 -17.61176 W20 85 0.00000 3148 809 TIP3 OH2 4.55312 -21.74299 -23.52090 W20 86 0.00000 3149 809 TIP3 H1 4.98081 -22.34470 -22.91159 W20 86 0.00000 3150 809 TIP3 H2 4.68492 -20.87694 -23.13514 W20 86 0.00000 3151 810 TIP3 OH2 1.19001 -15.83831 -20.94138 W20 88 0.00000 3152 810 TIP3 H1 0.46332 -15.44305 -20.45980 W20 88 0.00000 3153 810 TIP3 H2 0.79702 -16.14761 -21.75754 W20 88 0.00000 3154 811 TIP3 OH2 -6.21767 -23.70270 -14.99966 W20 91 0.00000 3155 811 TIP3 H1 -6.70073 -23.10193 -15.56707 W20 91 0.00000 3156 811 TIP3 H2 -6.89516 -24.15537 -14.49734 W20 91 0.00000 3157 812 TIP3 OH2 7.94345 -23.02812 -20.22649 W20 92 0.00000 3158 812 TIP3 H1 8.15410 -22.65930 -21.08429 W20 92 0.00000 3159 812 TIP3 H2 7.89197 -22.26944 -19.64512 W20 92 0.00000 3160 813 TIP3 OH2 -2.57257 -27.70717 -12.10519 W20 93 0.00000 3161 813 TIP3 H1 -2.97456 -27.01963 -12.63616 W20 93 0.00000 3162 813 TIP3 H2 -1.67126 -27.41288 -11.97385 W20 93 0.00000 3163 814 TIP3 OH2 3.56808 -16.91262 -15.35061 W20 94 0.00000 3164 814 TIP3 H1 3.38865 -17.54478 -16.04660 W20 94 0.00000 3165 814 TIP3 H2 4.41244 -16.52867 -15.58697 W20 94 0.00000 3166 815 TIP3 OH2 -1.27511 -24.10825 -18.36466 W20 95 0.00000 3167 815 TIP3 H1 -1.79866 -23.93530 -19.14709 W20 95 0.00000 3168 815 TIP3 H2 -0.49528 -24.55655 -18.69197 W20 95 0.00000 3169 816 TIP3 OH2 -5.11087 -16.15916 -21.73939 W20 96 0.00000 3170 816 TIP3 H1 -4.88379 -15.68586 -20.93899 W20 96 0.00000 3171 816 TIP3 H2 -5.57154 -15.51476 -22.27674 W20 96 0.00000 3172 817 TIP3 OH2 -2.61999 -14.56064 -29.79886 W20 97 0.00000 3173 817 TIP3 H1 -2.67122 -14.60114 -28.84389 W20 97 0.00000 3174 817 TIP3 H2 -3.48091 -14.24384 -30.07215 W20 97 0.00000 3175 818 TIP3 OH2 -3.09800 -17.91053 -22.48710 W20 98 0.00000 3176 818 TIP3 H1 -3.59483 -17.24092 -22.01696 W20 98 0.00000 3177 818 TIP3 H2 -3.70306 -18.23382 -23.15464 W20 98 0.00000 3178 819 TIP3 OH2 -8.34809 -19.52592 -17.27272 W20 99 0.00000 3179 819 TIP3 H1 -8.23558 -18.92132 -16.53921 W20 99 0.00000 3180 819 TIP3 H2 -8.39021 -20.39140 -16.86605 W20 99 0.00000 3181 820 TIP3 OH2 -5.34668 -13.82053 -20.16880 W20 100 0.00000 3182 820 TIP3 H1 -6.04944 -13.46760 -20.71449 W20 100 0.00000 3183 820 TIP3 H2 -5.61555 -13.62047 -19.27218 W20 100 0.00000 3184 821 TIP3 OH2 -4.48543 -23.10827 -17.61043 W20 101 0.00000 3185 821 TIP3 H1 -5.24433 -23.66913 -17.77076 W20 101 0.00000 3186 821 TIP3 H2 -3.73046 -23.67270 -17.77675 W20 101 0.00000 3187 822 TIP3 OH2 3.95755 -15.93913 -19.16450 W20 102 0.00000 3188 822 TIP3 H1 3.78353 -16.84648 -18.91419 W20 102 0.00000 3189 822 TIP3 H2 3.29834 -15.74321 -19.83030 W20 102 0.00000 3190 823 TIP3 OH2 -5.87678 -22.60609 -11.98035 W20 103 0.00000 3191 823 TIP3 H1 -5.76242 -22.44576 -12.91707 W20 103 0.00000 3192 823 TIP3 H2 -5.49402 -21.83772 -11.55687 W20 103 0.00000 3193 824 TIP3 OH2 5.33275 -14.58812 -13.10903 W20 104 0.00000 3194 824 TIP3 H1 5.72649 -14.35212 -12.26908 W20 104 0.00000 3195 824 TIP3 H2 4.45827 -14.19983 -13.08169 W20 104 0.00000 3196 825 TIP3 OH2 3.49291 -18.59750 -18.73015 W20 106 0.00000 3197 825 TIP3 H1 3.18003 -19.36121 -19.21499 W20 106 0.00000 3198 825 TIP3 H2 3.93454 -18.96397 -17.96406 W20 106 0.00000 3199 826 TIP3 OH2 0.68287 -12.19298 -22.88057 W20 108 0.00000 3200 826 TIP3 H1 1.45633 -12.40669 -23.40241 W20 108 0.00000 3201 826 TIP3 H2 0.07771 -12.91710 -23.04078 W20 108 0.00000 3202 827 TIP3 OH2 -1.52006 -13.76259 -23.05686 W20 109 0.00000 3203 827 TIP3 H1 -1.77558 -14.68493 -23.04231 W20 109 0.00000 3204 827 TIP3 H2 -2.02859 -13.36153 -22.35204 W20 109 0.00000 3205 828 TIP3 OH2 -3.30913 -14.75244 -27.08306 W20 110 0.00000 3206 828 TIP3 H1 -4.26190 -14.66689 -27.11661 W20 110 0.00000 3207 828 TIP3 H2 -3.05054 -14.25368 -26.30808 W20 110 0.00000 3208 829 TIP3 OH2 -0.76031 -14.04320 -19.85033 W20 113 0.00000 3209 829 TIP3 H1 -1.50518 -13.47471 -20.04580 W20 113 0.00000 3210 829 TIP3 H2 -0.13893 -13.47610 -19.39372 W20 113 0.00000 3211 830 TIP3 OH2 1.08008 -22.13679 -26.44045 W20 114 0.00000 3212 830 TIP3 H1 1.42270 -22.10211 -25.54734 W20 114 0.00000 3213 830 TIP3 H2 0.35598 -22.76122 -26.39562 W20 114 0.00000 3214 831 TIP3 OH2 -2.87047 -12.44795 -20.93508 W20 117 0.00000 3215 831 TIP3 H1 -2.69598 -11.63458 -20.46158 W20 117 0.00000 3216 831 TIP3 H2 -3.69419 -12.76785 -20.56714 W20 117 0.00000 3217 832 TIP3 OH2 1.01692 -24.89887 -19.74485 W20 120 0.00000 3218 832 TIP3 H1 0.84254 -24.69067 -20.66271 W20 120 0.00000 3219 832 TIP3 H2 1.21650 -25.83503 -19.74485 W20 120 0.00000 3220 833 TIP3 OH2 -3.03435 -12.47966 -25.29761 W20 121 0.00000 3221 833 TIP3 H1 -3.05690 -12.39488 -24.34444 W20 121 0.00000 3222 833 TIP3 H2 -2.10410 -12.44176 -25.51995 W20 121 0.00000 3223 834 TIP3 OH2 -1.12246 -16.21939 -31.60548 W20 122 0.00000 3224 834 TIP3 H1 -1.58453 -15.69741 -30.94954 W20 122 0.00000 3225 834 TIP3 H2 -1.45589 -15.90065 -32.44421 W20 122 0.00000 3226 835 TIP3 OH2 -2.42575 -20.17175 -12.30892 W20 123 0.00000 3227 835 TIP3 H1 -2.31757 -19.22956 -12.17937 W20 123 0.00000 3228 835 TIP3 H2 -1.96334 -20.57005 -11.57152 W20 123 0.00000 3229 836 TIP3 OH2 -7.42669 -13.53978 -24.35366 W20 125 0.00000 3230 836 TIP3 H1 -8.15696 -12.96564 -24.58452 W20 125 0.00000 3231 836 TIP3 H2 -6.83359 -12.98275 -23.84949 W20 125 0.00000 3232 837 TIP3 OH2 1.32821 -11.72268 -20.23349 W20 128 0.00000 3233 837 TIP3 H1 0.89508 -12.14305 -20.97639 W20 128 0.00000 3234 837 TIP3 H2 2.16760 -12.17632 -20.15695 W20 128 0.00000 3235 838 TIP3 OH2 -8.20852 -24.87227 -13.54420 W20 129 0.00000 3236 838 TIP3 H1 -8.31901 -25.48841 -14.26835 W20 129 0.00000 3237 838 TIP3 H2 -8.17646 -25.42386 -12.76257 W20 129 0.00000 3238 839 TIP3 OH2 4.30287 -13.53532 -17.20804 W20 130 0.00000 3239 839 TIP3 H1 4.45460 -14.46111 -17.39810 W20 130 0.00000 3240 839 TIP3 H2 5.09230 -13.25258 -16.74640 W20 130 0.00000 3241 840 TIP3 OH2 -0.26880 -13.15223 -26.01273 W20 132 0.00000 3242 840 TIP3 H1 -0.31494 -14.05682 -26.32227 W20 132 0.00000 3243 840 TIP3 H2 0.66592 -12.98915 -25.88653 W20 132 0.00000 3244 841 TIP3 OH2 3.12651 -14.06209 -21.83445 W20 134 0.00000 3245 841 TIP3 H1 2.28678 -14.45302 -21.59308 W20 134 0.00000 3246 841 TIP3 H2 3.38495 -14.52259 -22.63281 W20 134 0.00000 3247 842 TIP3 OH2 -4.53923 -25.92945 -16.05778 W20 135 0.00000 3248 842 TIP3 H1 -4.15863 -25.70596 -15.20841 W20 135 0.00000 3249 842 TIP3 H2 -5.28030 -25.33123 -16.15357 W20 135 0.00000 3250 843 TIP3 OH2 -0.36395 -16.42414 -25.82946 W20 137 0.00000 3251 843 TIP3 H1 -0.96633 -17.05089 -26.23016 W20 137 0.00000 3252 843 TIP3 H2 0.45275 -16.53077 -26.31717 W20 137 0.00000 3253 844 TIP3 OH2 2.09413 -16.79392 -26.86588 W20 139 0.00000 3254 844 TIP3 H1 2.64354 -16.21889 -27.39852 W20 139 0.00000 3255 844 TIP3 H2 2.66168 -17.06855 -26.14567 W20 139 0.00000 3256 845 TIP3 OH2 7.93868 -17.98478 -19.22110 W20 141 0.00000 3257 845 TIP3 H1 8.43993 -17.63446 -19.95747 W20 141 0.00000 3258 845 TIP3 H2 7.79911 -17.23231 -18.64618 W20 141 0.00000 3259 846 TIP3 OH2 -4.86504 -28.61959 -16.39353 W20 146 0.00000 3260 846 TIP3 H1 -4.90411 -27.66770 -16.30076 W20 146 0.00000 3261 846 TIP3 H2 -4.11193 -28.88161 -15.86400 W20 146 0.00000 3262 847 TIP3 OH2 -2.20545 -10.30030 -19.47373 W20 155 0.00000 3263 847 TIP3 H1 -1.73192 -10.60197 -18.69849 W20 155 0.00000 3264 847 TIP3 H2 -2.19006 -9.34549 -19.40789 W20 155 0.00000 3265 848 TIP3 OH2 -4.36046 -11.38742 -27.50955 W20 156 0.00000 3266 848 TIP3 H1 -3.95973 -11.82172 -26.75654 W20 156 0.00000 3267 848 TIP3 H2 -3.68228 -11.40359 -28.18485 W20 156 0.00000 3268 849 TIP3 OH2 -10.44363 -10.72680 -23.12248 W20 157 0.00000 3269 849 TIP3 H1 -10.36596 -10.46367 -24.03952 W20 157 0.00000 3270 849 TIP3 H2 -10.37185 -11.68115 -23.13975 W20 157 0.00000 3271 850 TIP3 OH2 -10.42700 -13.49939 -23.22053 W20 158 0.00000 3272 850 TIP3 H1 -10.47113 -14.08947 -23.97291 W20 158 0.00000 3273 850 TIP3 H2 -10.97038 -13.91951 -22.55385 W20 158 0.00000 3274 851 TIP3 OH2 -0.98487 -20.79610 -9.98828 W20 159 0.00000 3275 851 TIP3 H1 -1.68666 -21.29172 -9.56629 W20 159 0.00000 3276 851 TIP3 H2 -0.48668 -20.42013 -9.26255 W20 159 0.00000 3277 852 TIP3 OH2 -3.07966 -22.88707 -9.59405 W20 160 0.00000 3278 852 TIP3 H1 -2.91171 -22.96758 -10.53295 W20 160 0.00000 3279 852 TIP3 H2 -3.03423 -23.78452 -9.26429 W20 160 0.00000 3280 853 TIP3 OH2 -5.80113 -28.26946 -11.88768 W20 161 0.00000 3281 853 TIP3 H1 -6.60620 -28.31367 -12.40355 W20 161 0.00000 3282 853 TIP3 H2 -6.10049 -28.18708 -10.98224 W20 161 0.00000 3283 854 TIP3 OH2 5.30457 -20.20836 -17.01136 W20 162 0.00000 3284 854 TIP3 H1 5.64619 -20.29579 -16.12149 W20 162 0.00000 3285 854 TIP3 H2 5.15014 -21.10829 -17.29864 W20 162 0.00000 3286 855 TIP3 OH2 5.00064 -22.85311 -17.43798 W20 163 0.00000 3287 855 TIP3 H1 4.41102 -23.19593 -18.10958 W20 163 0.00000 3288 855 TIP3 H2 4.83160 -23.39801 -16.66939 W20 163 0.00000 3289 856 TIP3 OH2 0.61330 -24.21482 -14.09281 W20 164 0.00000 3290 856 TIP3 H1 1.48201 -24.55753 -13.88274 W20 164 0.00000 3291 856 TIP3 H2 0.45301 -23.54402 -13.42907 W20 164 0.00000 3292 857 TIP3 OH2 -2.89302 -23.32962 -12.41454 W20 165 0.00000 3293 857 TIP3 H1 -3.85007 -23.31405 -12.42092 W20 165 0.00000 3294 857 TIP3 H2 -2.64190 -23.00113 -13.27782 W20 165 0.00000 3295 858 TIP3 OH2 7.61848 -20.60273 -18.52816 W20 166 0.00000 3296 858 TIP3 H1 7.63103 -19.71188 -18.87811 W20 166 0.00000 3297 858 TIP3 H2 6.91944 -20.59391 -17.87433 W20 166 0.00000 3298 859 TIP3 OH2 8.40409 -20.92646 -21.95228 W20 167 0.00000 3299 859 TIP3 H1 8.69950 -20.06079 -21.67020 W20 167 0.00000 3300 859 TIP3 H2 8.90349 -21.10239 -22.74970 W20 167 0.00000 3301 860 TIP3 OH2 3.64297 -23.47681 -19.71213 W20 168 0.00000 3302 860 TIP3 H1 3.87141 -24.04339 -20.44905 W20 168 0.00000 3303 860 TIP3 H2 2.75095 -23.73414 -19.47910 W20 168 0.00000 3304 861 TIP3 OH2 -2.86884 -28.87458 -14.61478 W20 170 0.00000 3305 861 TIP3 H1 -2.36324 -29.68648 -14.65223 W20 170 0.00000 3306 861 TIP3 H2 -2.78128 -28.57892 -13.70861 W20 170 0.00000 3307 862 TIP3 OH2 -1.62825 -31.22812 -14.78707 W20 171 0.00000 3308 862 TIP3 H1 -1.96719 -31.08252 -15.67033 W20 171 0.00000 3309 862 TIP3 H2 -0.92955 -31.87231 -14.90131 W20 171 0.00000 3310 863 TIP3 OH2 5.28075 -23.96693 -22.02926 W20 173 0.00000 3311 863 TIP3 H1 5.68677 -24.74758 -22.40603 W20 173 0.00000 3312 863 TIP3 H2 5.90154 -23.67116 -21.36340 W20 173 0.00000 3313 864 TIP3 OH2 1.87080 -27.40697 -19.42158 W20 174 0.00000 3314 864 TIP3 H1 2.44494 -27.55364 -18.66985 W20 174 0.00000 3315 864 TIP3 H2 1.06536 -27.87595 -19.20351 W20 174 0.00000 3316 865 TIP3 OH2 -0.20588 -28.77631 -17.98579 W20 175 0.00000 3317 865 TIP3 H1 -1.10113 -28.56065 -18.24702 W20 175 0.00000 3318 865 TIP3 H2 -0.04440 -28.23507 -17.21301 W20 175 0.00000 3319 866 TIP3 OH2 -0.23724 -16.69713 -13.57853 W20 184 0.00000 3320 866 TIP3 H1 0.71895 -16.74102 -13.57822 W20 184 0.00000 3321 866 TIP3 H2 -0.49040 -16.97235 -12.69740 W20 184 0.00000 3322 867 TIP3 OH2 -10.51330 -19.40897 -19.14984 W20 187 0.00000 3323 867 TIP3 H1 -10.87815 -18.53908 -18.98738 W20 187 0.00000 3324 867 TIP3 H2 -9.73757 -19.45211 -18.59072 W20 187 0.00000 3325 868 TIP3 OH2 -10.07845 -21.88626 -14.35662 W20 188 0.00000 3326 868 TIP3 H1 -10.42951 -22.75546 -14.16304 W20 188 0.00000 3327 868 TIP3 H2 -9.40271 -21.74711 -13.69310 W20 188 0.00000 3328 869 TIP3 OH2 -8.43981 -21.30677 -12.18795 W20 189 0.00000 3329 869 TIP3 H1 -7.61757 -21.79419 -12.23856 W20 189 0.00000 3330 869 TIP3 H2 -8.89713 -21.68492 -11.43689 W20 189 0.00000 3331 870 TIP3 OH2 -13.36267 -16.40362 -18.69529 W20 191 0.00000 3332 870 TIP3 H1 -13.68879 -15.56928 -19.03254 W20 191 0.00000 3333 870 TIP3 H2 -14.08849 -17.01437 -18.82324 W20 191 0.00000 3334 871 TIP3 OH2 -10.93777 -16.84559 -17.64028 W20 192 0.00000 3335 871 TIP3 H1 -11.80758 -16.77877 -18.03423 W20 192 0.00000 3336 871 TIP3 H2 -10.63424 -15.94023 -17.57377 W20 192 0.00000 3337 872 TIP3 OH2 -7.21042 -17.94091 -14.84944 W20 193 0.00000 3338 872 TIP3 H1 -7.25504 -16.99996 -15.01925 W20 193 0.00000 3339 872 TIP3 H2 -7.78642 -18.07657 -14.09707 W20 193 0.00000 3340 873 TIP3 OH2 -5.91468 -20.09484 -13.73071 W20 194 0.00000 3341 873 TIP3 H1 -6.39558 -19.50609 -14.31238 W20 194 0.00000 3342 873 TIP3 H2 -5.86940 -19.62520 -12.89787 W20 194 0.00000 3343 874 TIP3 OH2 -4.89837 -20.11281 -10.84971 W20 195 0.00000 3344 874 TIP3 H1 -5.18453 -19.30128 -10.43049 W20 195 0.00000 3345 874 TIP3 H2 -4.07940 -19.88091 -11.28757 W20 195 0.00000 3346 875 TIP3 OH2 -11.23400 -15.06651 -21.03319 W20 196 0.00000 3347 875 TIP3 H1 -11.67592 -15.91552 -21.04337 W20 196 0.00000 3348 875 TIP3 H2 -10.31878 -15.27458 -20.84525 W20 196 0.00000 3349 876 TIP3 OH2 -8.47974 -15.74369 -20.91407 W20 197 0.00000 3350 876 TIP3 H1 -8.43334 -16.39462 -21.61433 W20 197 0.00000 3351 876 TIP3 H2 -8.28770 -16.23583 -20.11585 W20 197 0.00000 3352 877 TIP3 OH2 -7.51075 -16.84202 -18.62635 W20 198 0.00000 3353 877 TIP3 H1 -6.88173 -17.31367 -19.17234 W20 198 0.00000 3354 877 TIP3 H2 -8.09260 -17.52261 -18.28803 W20 198 0.00000 3355 878 TIP3 OH2 -6.92214 -10.78170 -24.32618 W20 207 0.00000 3356 878 TIP3 H1 -6.92112 -10.13378 -25.03076 W20 207 0.00000 3357 878 TIP3 H2 -7.41605 -10.36657 -23.61912 W20 207 0.00000 3358 879 TIP3 OH2 -0.34748 -11.86190 -18.14441 W20 210 0.00000 3359 879 TIP3 H1 0.22641 -11.78729 -17.38196 W20 210 0.00000 3360 879 TIP3 H2 0.17705 -11.52985 -18.87300 W20 210 0.00000 3361 880 TIP3 OH2 -4.03356 -8.79116 -23.49231 W20 214 0.00000 3362 880 TIP3 H1 -4.88956 -9.09333 -23.18871 W20 214 0.00000 3363 880 TIP3 H2 -3.43886 -9.51380 -23.29144 W20 214 0.00000 3364 881 TIP3 OH2 -5.72071 -24.84744 -10.37408 W20 216 0.00000 3365 881 TIP3 H1 -5.83323 -24.36435 -11.19274 W20 216 0.00000 3366 881 TIP3 H2 -6.22336 -24.34865 -9.73005 W20 216 0.00000 3367 882 TIP3 OH2 -6.41271 -28.35709 -9.28292 W21 46 0.00000 3368 882 TIP3 H1 -6.79051 -27.86922 -8.55117 W21 46 0.00000 3369 882 TIP3 H2 -5.66981 -28.82484 -8.90143 W21 46 0.00000 3370 883 TIP3 OH2 -10.82353 -25.44927 -10.29957 W21 53 0.00000 3371 883 TIP3 H1 -10.01168 -25.75665 -10.70285 W21 53 0.00000 3372 883 TIP3 H2 -11.34286 -26.24291 -10.17051 W21 53 0.00000 3373 884 TIP3 OH2 -9.00259 -29.48329 -9.06528 W21 94 0.00000 3374 884 TIP3 H1 -9.18202 -30.11545 -9.76127 W21 94 0.00000 3375 884 TIP3 H2 -8.15823 -29.09934 -9.30164 W21 94 0.00000 3376 885 TIP3 OH2 -7.23792 -27.15879 -6.82370 W21 104 0.00000 3377 885 TIP3 H1 -6.84418 -26.92279 -5.98375 W21 104 0.00000 3378 885 TIP3 H2 -8.11240 -26.77050 -6.79636 W21 104 0.00000 3379 886 TIP3 OH2 -11.24246 -24.29335 -13.94816 W21 128 0.00000 3380 886 TIP3 H1 -11.67560 -24.71373 -14.69107 W21 128 0.00000 3381 886 TIP3 H2 -10.40308 -24.74700 -13.87163 W21 128 0.00000 3382 887 TIP3 OH2 -8.26780 -26.10599 -10.92271 W21 130 0.00000 3383 887 TIP3 H1 -8.11607 -27.03178 -11.11277 W21 130 0.00000 3384 887 TIP3 H2 -7.47838 -25.82326 -10.46108 W21 130 0.00000 3385 888 TIP3 OH2 -4.63200 -30.55546 -12.93578 W21 141 0.00000 3386 888 TIP3 H1 -4.13075 -30.20514 -13.67215 W21 141 0.00000 3387 888 TIP3 H2 -4.77157 -29.80299 -12.36086 W21 141 0.00000 3388 889 TIP3 OH2 -14.77612 -22.87097 -13.18840 W21 155 0.00000 3389 889 TIP3 H1 -14.30259 -23.17264 -12.41316 W21 155 0.00000 3390 889 TIP3 H2 -14.76073 -21.91616 -13.12256 W21 155 0.00000 3391 890 TIP3 OH2 -4.95219 -33.17340 -12.24283 W21 166 0.00000 3392 890 TIP3 H1 -4.93965 -32.28256 -12.59279 W21 166 0.00000 3393 890 TIP3 H2 -5.65123 -33.16458 -11.58900 W21 166 0.00000 3394 891 TIP3 OH2 -12.80791 -29.26780 -7.29320 W21 184 0.00000 3395 891 TIP3 H1 -11.85173 -29.31170 -7.29290 W21 184 0.00000 3396 891 TIP3 H2 -13.06108 -29.54303 -6.41208 W21 184 0.00000 3397 892 TIP3 OH2 -12.91815 -24.43257 -11.85908 W21 210 0.00000 3398 892 TIP3 H1 -12.34427 -24.35797 -11.09664 W21 210 0.00000 3399 892 TIP3 H2 -12.39362 -24.10052 -12.58767 W21 210 0.00000 3400 893 TIP3 OH2 -10.08593 -28.74628 -6.78472 W21 211 0.00000 3401 893 TIP3 H1 -9.58950 -28.80335 -7.60112 W21 211 0.00000 3402 893 TIP3 H2 -9.97578 -27.83913 -6.49977 W21 211 0.00000 3403 894 TIP3 OH2 18.85271 16.91838 -20.73950 W22 1 0.00000 3404 894 TIP3 H1 18.68570 17.60608 -20.09498 W22 1 0.00000 3405 894 TIP3 H2 18.95770 17.38625 -21.56793 W22 1 0.00000 3406 895 TIP3 OH2 16.11055 14.49816 -20.80777 W22 2 0.00000 3407 895 TIP3 H1 15.83054 13.61003 -21.02919 W22 2 0.00000 3408 895 TIP3 H2 16.56526 14.80866 -21.59075 W22 2 0.00000 3409 896 TIP3 OH2 18.73388 16.35451 -16.94389 W22 4 0.00000 3410 896 TIP3 H1 18.37982 15.72078 -17.56779 W22 4 0.00000 3411 896 TIP3 H2 18.06511 16.41949 -16.26217 W22 4 0.00000 3412 897 TIP3 OH2 10.19846 19.35836 -22.52786 W22 5 0.00000 3413 897 TIP3 H1 10.46584 19.19327 -23.43200 W22 5 0.00000 3414 897 TIP3 H2 10.85114 18.90142 -21.99735 W22 5 0.00000 3415 898 TIP3 OH2 14.96550 20.57875 -15.39606 W22 8 0.00000 3416 898 TIP3 H1 15.78616 20.10324 -15.52501 W22 8 0.00000 3417 898 TIP3 H2 14.29364 19.89723 -15.37735 W22 8 0.00000 3418 899 TIP3 OH2 13.95540 16.38571 -20.12468 W22 9 0.00000 3419 899 TIP3 H1 14.78294 16.22360 -20.57759 W22 9 0.00000 3420 899 TIP3 H2 13.98484 15.81262 -19.35857 W22 9 0.00000 3421 900 TIP3 OH2 21.95646 7.32532 -19.66147 W22 10 0.00000 3422 900 TIP3 H1 21.29530 7.22506 -18.97660 W22 10 0.00000 3423 900 TIP3 H2 22.56837 7.97281 -19.31136 W22 10 0.00000 3424 901 TIP3 OH2 17.69947 11.38332 -21.65889 W22 11 0.00000 3425 901 TIP3 H1 18.09652 10.69148 -22.18798 W22 11 0.00000 3426 901 TIP3 H2 18.17875 12.17568 -21.90114 W22 11 0.00000 3427 902 TIP3 OH2 20.23414 6.68946 -17.66989 W22 16 0.00000 3428 902 TIP3 H1 19.61932 7.42125 -17.72198 W22 16 0.00000 3429 902 TIP3 H2 19.68583 5.92848 -17.47887 W22 16 0.00000 3430 903 TIP3 OH2 18.48863 19.35807 -19.45967 W22 18 0.00000 3431 903 TIP3 H1 18.96676 19.80892 -20.15562 W22 18 0.00000 3432 903 TIP3 H2 17.94508 20.03841 -19.06229 W22 18 0.00000 3433 904 TIP3 OH2 11.40127 15.24601 -21.62811 W22 19 0.00000 3434 904 TIP3 H1 10.63948 15.82246 -21.68823 W22 19 0.00000 3435 904 TIP3 H2 11.90301 15.58776 -20.88805 W22 19 0.00000 3436 905 TIP3 OH2 21.84978 10.41582 -22.33155 W22 20 0.00000 3437 905 TIP3 H1 21.60647 9.62205 -22.80792 W22 20 0.00000 3438 905 TIP3 H2 21.78756 10.17032 -21.40846 W22 20 0.00000 3439 906 TIP3 OH2 9.16002 16.56163 -21.11791 W22 22 0.00000 3440 906 TIP3 H1 9.11546 17.40166 -20.66119 W22 22 0.00000 3441 906 TIP3 H2 8.33550 16.50711 -21.60103 W22 22 0.00000 3442 907 TIP3 OH2 16.89675 15.84468 -14.59402 W22 24 0.00000 3443 907 TIP3 H1 16.14174 16.08969 -15.12895 W22 24 0.00000 3444 907 TIP3 H2 16.87050 16.44787 -13.85125 W22 24 0.00000 3445 908 TIP3 OH2 20.05678 6.99054 -21.73007 W22 25 0.00000 3446 908 TIP3 H1 19.38774 7.66829 -21.82627 W22 25 0.00000 3447 908 TIP3 H2 20.72499 7.39025 -21.17332 W22 25 0.00000 3448 909 TIP3 OH2 17.38761 19.86477 -15.69665 W22 27 0.00000 3449 909 TIP3 H1 18.23019 19.57491 -16.04632 W22 27 0.00000 3450 909 TIP3 H2 17.60971 20.57114 -15.09006 W22 27 0.00000 3451 910 TIP3 OH2 19.85465 19.07301 -16.82010 W22 28 0.00000 3452 910 TIP3 H1 20.32058 19.10647 -17.65557 W22 28 0.00000 3453 910 TIP3 H2 19.48594 18.19034 -16.78610 W22 28 0.00000 3454 911 TIP3 OH2 15.80487 11.90388 -13.82586 W22 29 0.00000 3455 911 TIP3 H1 16.58808 11.95571 -14.37370 W22 29 0.00000 3456 911 TIP3 H2 15.86295 12.66727 -13.25131 W22 29 0.00000 3457 912 TIP3 OH2 19.54220 10.13908 -15.68269 W22 32 0.00000 3458 912 TIP3 H1 18.81623 10.76026 -15.62501 W22 32 0.00000 3459 912 TIP3 H2 20.32209 10.66403 -15.50255 W22 32 0.00000 3460 913 TIP3 OH2 21.51720 16.90918 -20.21806 W22 33 0.00000 3461 913 TIP3 H1 20.57110 16.92335 -20.36273 W22 33 0.00000 3462 913 TIP3 H2 21.75009 15.98112 -20.24415 W22 33 0.00000 3463 914 TIP3 OH2 16.01221 9.68110 -18.48109 W22 34 0.00000 3464 914 TIP3 H1 15.42977 9.78219 -17.72824 W22 34 0.00000 3465 914 TIP3 H2 15.97863 10.52799 -18.92592 W22 34 0.00000 3466 915 TIP3 OH2 12.46323 18.90177 -20.64963 W22 36 0.00000 3467 915 TIP3 H1 13.09724 19.05196 -21.35085 W22 36 0.00000 3468 915 TIP3 H2 12.74243 18.08018 -20.24558 W22 36 0.00000 3469 916 TIP3 OH2 12.71474 15.49398 -24.10534 W22 37 0.00000 3470 916 TIP3 H1 13.55969 15.89510 -23.90185 W22 37 0.00000 3471 916 TIP3 H2 12.28894 15.38679 -23.25479 W22 37 0.00000 3472 917 TIP3 OH2 14.59713 16.57034 -15.98571 W22 38 0.00000 3473 917 TIP3 H1 13.78419 16.66005 -15.48842 W22 38 0.00000 3474 917 TIP3 H2 14.45986 15.79677 -16.53250 W22 38 0.00000 3475 918 TIP3 OH2 8.69024 14.98868 -19.01338 W22 39 0.00000 3476 918 TIP3 H1 7.91842 15.31043 -18.54756 W22 39 0.00000 3477 918 TIP3 H2 8.76515 15.56048 -19.77736 W22 39 0.00000 3478 919 TIP3 OH2 8.41848 13.99504 -23.85846 W22 41 0.00000 3479 919 TIP3 H1 7.78280 13.93972 -23.14496 W22 41 0.00000 3480 919 TIP3 H2 8.01365 14.58374 -24.49545 W22 41 0.00000 3481 920 TIP3 OH2 16.53549 21.22917 -18.18020 W22 42 0.00000 3482 920 TIP3 H1 16.23451 20.75006 -17.40813 W22 42 0.00000 3483 920 TIP3 H2 16.06942 22.06433 -18.14115 W22 42 0.00000 3484 921 TIP3 OH2 6.31721 16.44756 -18.55153 W22 43 0.00000 3485 921 TIP3 H1 6.99921 16.98600 -18.95301 W22 43 0.00000 3486 921 TIP3 H2 5.57764 16.50676 -19.15629 W22 43 0.00000 3487 922 TIP3 OH2 7.44150 21.19791 -24.27963 W22 48 0.00000 3488 922 TIP3 H1 8.13301 20.79906 -23.75147 W22 48 0.00000 3489 922 TIP3 H2 6.74708 21.40014 -23.65265 W22 48 0.00000 3490 923 TIP3 OH2 15.56317 11.78770 -9.80962 W22 49 0.00000 3491 923 TIP3 H1 15.87351 11.19217 -10.49171 W22 49 0.00000 3492 923 TIP3 H2 14.65523 11.97406 -10.04865 W22 49 0.00000 3493 924 TIP3 OH2 10.44003 15.26008 -16.48270 W22 50 0.00000 3494 924 TIP3 H1 9.90625 15.46530 -15.71511 W22 50 0.00000 3495 924 TIP3 H2 9.80829 15.16221 -17.19513 W22 50 0.00000 3496 925 TIP3 OH2 16.25493 24.43277 -17.08937 W22 51 0.00000 3497 925 TIP3 H1 16.87607 25.00803 -17.53599 W22 51 0.00000 3498 925 TIP3 H2 15.88144 24.97568 -16.39513 W22 51 0.00000 3499 926 TIP3 OH2 11.24034 24.55350 -21.53436 W22 52 0.00000 3500 926 TIP3 H1 10.87192 23.68508 -21.37209 W22 52 0.00000 3501 926 TIP3 H2 10.96198 24.76983 -22.42427 W22 52 0.00000 3502 927 TIP3 OH2 18.57432 23.06148 -15.93879 W22 54 0.00000 3503 927 TIP3 H1 17.79844 23.32081 -16.43578 W22 54 0.00000 3504 927 TIP3 H2 18.61203 22.10960 -16.03216 W22 54 0.00000 3505 928 TIP3 OH2 16.17992 6.74572 -17.21940 W22 55 0.00000 3506 928 TIP3 H1 16.22864 7.68232 -17.41079 W22 55 0.00000 3507 928 TIP3 H2 16.71405 6.33388 -17.89859 W22 55 0.00000 3508 929 TIP3 OH2 6.82013 16.62092 -22.19858 W22 56 0.00000 3509 929 TIP3 H1 6.51164 15.73486 -22.00893 W22 56 0.00000 3510 929 TIP3 H2 6.51441 16.79611 -23.08857 W22 56 0.00000 3511 930 TIP3 OH2 16.03040 6.74170 -25.42610 W22 58 0.00000 3512 930 TIP3 H1 15.94700 5.82270 -25.17173 W22 58 0.00000 3513 930 TIP3 H2 15.38980 6.85547 -26.12817 W22 58 0.00000 3514 931 TIP3 OH2 16.42726 7.56759 -20.42027 W22 59 0.00000 3515 931 TIP3 H1 15.59475 7.12335 -20.58096 W22 59 0.00000 3516 931 TIP3 H2 16.18239 8.39056 -19.99721 W22 59 0.00000 3517 932 TIP3 OH2 12.09529 8.79983 -20.36765 W22 65 0.00000 3518 932 TIP3 H1 11.74131 8.30363 -21.10569 W22 65 0.00000 3519 932 TIP3 H2 12.37462 8.13201 -19.74137 W22 65 0.00000 3520 933 TIP3 OH2 19.38964 13.46197 -22.47700 W22 66 0.00000 3521 933 TIP3 H1 19.53400 14.40756 -22.44190 W22 66 0.00000 3522 933 TIP3 H2 20.07788 13.13547 -23.05661 W22 66 0.00000 3523 934 TIP3 OH2 15.23871 11.68525 -20.31856 W22 71 0.00000 3524 934 TIP3 H1 16.09334 11.58537 -20.73791 W22 71 0.00000 3525 934 TIP3 H2 14.68310 11.03493 -20.74821 W22 71 0.00000 3526 935 TIP3 OH2 18.94077 9.36701 -23.40602 W22 75 0.00000 3527 935 TIP3 H1 18.00313 9.23752 -23.54838 W22 75 0.00000 3528 935 TIP3 H2 19.20894 9.96564 -24.10313 W22 75 0.00000 3529 936 TIP3 OH2 11.72410 14.53437 -8.67439 W22 77 0.00000 3530 936 TIP3 H1 12.27226 15.30685 -8.53651 W22 77 0.00000 3531 936 TIP3 H2 11.64171 14.14043 -7.80592 W22 77 0.00000 3532 937 TIP3 OH2 6.22600 13.91242 -22.09031 W22 78 0.00000 3533 937 TIP3 H1 6.25500 13.46377 -21.24527 W22 78 0.00000 3534 937 TIP3 H2 5.29404 13.96513 -22.30219 W22 78 0.00000 3535 938 TIP3 OH2 16.61788 13.68201 -23.55346 W22 79 0.00000 3536 938 TIP3 H1 17.54092 13.49437 -23.72380 W22 79 0.00000 3537 938 TIP3 H2 16.16754 12.85752 -23.73685 W22 79 0.00000 3538 939 TIP3 OH2 14.63004 11.45619 -24.73865 W22 81 0.00000 3539 939 TIP3 H1 13.84825 11.96382 -24.95625 W22 81 0.00000 3540 939 TIP3 H2 14.38614 10.96408 -23.95471 W22 81 0.00000 3541 940 TIP3 OH2 17.66335 12.14094 -15.88835 W22 83 0.00000 3542 940 TIP3 H1 18.30158 12.59392 -15.33727 W22 83 0.00000 3543 940 TIP3 H2 17.38046 12.80160 -16.52059 W22 83 0.00000 3544 941 TIP3 OH2 11.92563 13.08541 -18.12441 W22 85 0.00000 3545 941 TIP3 H1 11.28465 12.40806 -18.34019 W22 85 0.00000 3546 941 TIP3 H2 11.43365 13.72678 -17.61174 W22 85 0.00000 3547 942 TIP3 OH2 9.94243 10.56048 -20.95856 W22 90 0.00000 3548 942 TIP3 H1 10.39711 11.14538 -21.56467 W22 90 0.00000 3549 942 TIP3 H2 10.64384 10.11040 -20.48773 W22 90 0.00000 3550 943 TIP3 OH2 12.63835 14.00932 -14.99964 W22 91 0.00000 3551 943 TIP3 H1 12.15529 14.61009 -15.56705 W22 91 0.00000 3552 943 TIP3 H2 11.96086 13.55665 -14.49732 W22 91 0.00000 3553 944 TIP3 OH2 16.28344 10.00484 -12.10518 W22 93 0.00000 3554 944 TIP3 H1 15.88146 10.69239 -12.63614 W22 93 0.00000 3555 944 TIP3 H2 17.18476 10.29914 -11.97383 W22 93 0.00000 3556 945 TIP3 OH2 17.58091 13.60377 -18.36464 W22 95 0.00000 3557 945 TIP3 H1 17.05735 13.77671 -19.14708 W22 95 0.00000 3558 945 TIP3 H2 18.36074 13.15547 -18.69195 W22 95 0.00000 3559 946 TIP3 OH2 13.74515 21.55286 -21.73937 W22 96 0.00000 3560 946 TIP3 H1 13.97223 22.02616 -20.93897 W22 96 0.00000 3561 946 TIP3 H2 13.28448 22.19726 -22.27672 W22 96 0.00000 3562 947 TIP3 OH2 15.75802 19.80149 -22.48708 W22 98 0.00000 3563 947 TIP3 H1 15.26119 20.47110 -22.01694 W22 98 0.00000 3564 947 TIP3 H2 15.15296 19.47820 -23.15462 W22 98 0.00000 3565 948 TIP3 OH2 10.50793 18.18610 -17.27270 W22 99 0.00000 3566 948 TIP3 H1 10.62043 18.79069 -16.53920 W22 99 0.00000 3567 948 TIP3 H2 10.46581 17.32062 -16.86603 W22 99 0.00000 3568 949 TIP3 OH2 13.50934 23.89149 -20.16878 W22 100 0.00000 3569 949 TIP3 H1 12.80658 24.24442 -20.71447 W22 100 0.00000 3570 949 TIP3 H2 13.24047 24.09155 -19.27216 W22 100 0.00000 3571 950 TIP3 OH2 14.37059 14.60375 -17.61041 W22 101 0.00000 3572 950 TIP3 H1 13.61169 14.04289 -17.77074 W22 101 0.00000 3573 950 TIP3 H2 15.12556 14.03932 -17.77673 W22 101 0.00000 3574 951 TIP3 OH2 12.97924 15.10593 -11.98033 W22 103 0.00000 3575 951 TIP3 H1 13.09360 15.26626 -12.91705 W22 103 0.00000 3576 951 TIP3 H2 13.36200 15.87430 -11.55685 W22 103 0.00000 3577 952 TIP3 OH2 6.58789 19.97800 -21.49227 W22 107 0.00000 3578 952 TIP3 H1 7.06385 19.30517 -21.97910 W22 107 0.00000 3579 952 TIP3 H2 6.07177 19.49003 -20.85061 W22 107 0.00000 3580 953 TIP3 OH2 16.36117 8.60473 -23.32748 W22 111 0.00000 3581 953 TIP3 H1 16.36909 7.98773 -22.59572 W22 111 0.00000 3582 953 TIP3 H2 16.29257 8.05249 -24.10629 W22 111 0.00000 3583 954 TIP3 OH2 13.84132 9.93108 -22.36428 W22 115 0.00000 3584 954 TIP3 H1 13.22480 9.76907 -21.65022 W22 115 0.00000 3585 954 TIP3 H2 14.43113 9.17737 -22.34775 W22 115 0.00000 3586 955 TIP3 OH2 18.11872 5.91093 -19.34488 W22 119 0.00000 3587 955 TIP3 H1 17.47880 6.44960 -19.81026 W22 119 0.00000 3588 955 TIP3 H2 18.94107 6.39468 -19.42210 W22 119 0.00000 3589 956 TIP3 OH2 19.87294 12.81315 -19.74483 W22 120 0.00000 3590 956 TIP3 H1 19.69856 13.02135 -20.66269 W22 120 0.00000 3591 956 TIP3 H2 20.07252 11.87699 -19.74483 W22 120 0.00000 3592 957 TIP3 OH2 16.43026 17.54026 -12.30891 W22 123 0.00000 3593 957 TIP3 H1 16.53845 18.48246 -12.17935 W22 123 0.00000 3594 957 TIP3 H2 16.89267 17.14196 -11.57151 W22 123 0.00000 3595 958 TIP3 OH2 2.53092 18.59783 -19.30988 W22 126 0.00000 3596 958 TIP3 H1 2.45665 17.76674 -18.84083 W22 126 0.00000 3597 958 TIP3 H2 2.60509 18.34780 -20.23086 W22 126 0.00000 3598 959 TIP3 OH2 4.87572 15.26473 -16.42522 W22 127 0.00000 3599 959 TIP3 H1 5.31323 14.47560 -16.10571 W22 127 0.00000 3600 959 TIP3 H2 5.55673 15.74110 -16.90011 W22 127 0.00000 3601 960 TIP3 OH2 10.64750 12.83975 -13.54418 W22 129 0.00000 3602 960 TIP3 H1 10.53701 12.22361 -14.26833 W22 129 0.00000 3603 960 TIP3 H2 10.67956 12.28816 -12.76255 W22 129 0.00000 3604 961 TIP3 OH2 3.89579 13.86616 -23.18017 W22 131 0.00000 3605 961 TIP3 H1 4.48336 13.40775 -23.78086 W22 131 0.00000 3606 961 TIP3 H2 3.61073 14.63957 -23.66679 W22 131 0.00000 3607 962 TIP3 OH2 8.72117 12.00574 -18.95234 W22 133 0.00000 3608 962 TIP3 H1 8.98333 12.86733 -19.27663 W22 133 0.00000 3609 962 TIP3 H2 9.19439 11.38612 -19.50764 W22 133 0.00000 3610 963 TIP3 OH2 14.31679 11.78257 -16.05776 W22 135 0.00000 3611 963 TIP3 H1 14.69739 12.00606 -15.20839 W22 135 0.00000 3612 963 TIP3 H2 13.57572 12.38079 -16.15355 W22 135 0.00000 3613 964 TIP3 OH2 5.77083 12.10888 -24.68487 W22 136 0.00000 3614 964 TIP3 H1 6.40932 11.48191 -25.02466 W22 136 0.00000 3615 964 TIP3 H2 4.97861 11.59103 -24.54193 W22 136 0.00000 3616 965 TIP3 OH2 10.48314 11.88273 -23.58970 W22 138 0.00000 3617 965 TIP3 H1 9.65901 12.35165 -23.45870 W22 138 0.00000 3618 965 TIP3 H2 11.16101 12.53787 -23.42382 W22 138 0.00000 3619 966 TIP3 OH2 10.82085 9.67215 -17.50298 W22 140 0.00000 3620 966 TIP3 H1 11.44656 9.42865 -16.82076 W22 140 0.00000 3621 966 TIP3 H2 10.53811 8.83813 -17.87805 W22 140 0.00000 3622 967 TIP3 OH2 10.86948 9.28478 -24.76597 W22 142 0.00000 3623 967 TIP3 H1 11.61385 9.15019 -25.35250 W22 142 0.00000 3624 967 TIP3 H2 10.98444 10.17467 -24.43262 W22 142 0.00000 3625 968 TIP3 OH2 12.44118 12.67127 -21.65281 W22 144 0.00000 3626 968 TIP3 H1 13.37573 12.69909 -21.44773 W22 144 0.00000 3627 968 TIP3 H2 12.11482 13.53574 -21.40296 W22 144 0.00000 3628 969 TIP3 OH2 12.76085 6.39050 -18.48943 W22 145 0.00000 3629 969 TIP3 H1 13.27366 5.78012 -19.01923 W22 145 0.00000 3630 969 TIP3 H2 13.19793 6.39490 -17.63786 W22 145 0.00000 3631 970 TIP3 OH2 13.99098 9.09243 -16.39351 W22 146 0.00000 3632 970 TIP3 H1 13.95191 10.04432 -16.30074 W22 146 0.00000 3633 970 TIP3 H2 14.74409 8.83041 -15.86398 W22 146 0.00000 3634 971 TIP3 OH2 8.18141 9.31643 -24.34413 W22 147 0.00000 3635 971 TIP3 H1 7.98768 9.35728 -25.28062 W22 147 0.00000 3636 971 TIP3 H2 9.13691 9.28307 -24.29796 W22 147 0.00000 3637 972 TIP3 OH2 11.48307 7.56389 -22.51675 W22 149 0.00000 3638 972 TIP3 H1 10.79822 6.89517 -22.51944 W22 149 0.00000 3639 972 TIP3 H2 11.36966 8.02691 -23.34679 W22 149 0.00000 3640 973 TIP3 OH2 14.20083 6.69334 -21.59629 W22 150 0.00000 3641 973 TIP3 H1 13.47031 6.94225 -22.16251 W22 150 0.00000 3642 973 TIP3 H2 14.18183 5.73638 -21.58676 W22 150 0.00000 3643 974 TIP3 OH2 14.40877 3.90124 -20.74905 W22 151 0.00000 3644 974 TIP3 H1 14.66552 3.30254 -21.45038 W22 151 0.00000 3645 974 TIP3 H2 13.53105 3.61389 -20.49754 W22 151 0.00000 3646 975 TIP3 OH2 11.36502 4.78937 -24.81869 W22 154 0.00000 3647 975 TIP3 H1 11.98247 5.06298 -25.49701 W22 154 0.00000 3648 975 TIP3 H2 10.75425 5.52222 -24.74039 W22 154 0.00000 3649 976 TIP3 OH2 8.42902 24.21263 -23.22051 W22 158 0.00000 3650 976 TIP3 H1 8.38489 23.62255 -23.97289 W22 158 0.00000 3651 976 TIP3 H2 7.88564 23.79251 -22.55383 W22 158 0.00000 3652 977 TIP3 OH2 17.87115 16.91592 -9.98826 W22 159 0.00000 3653 977 TIP3 H1 17.16935 16.42029 -9.56628 W22 159 0.00000 3654 977 TIP3 H2 18.36934 17.29189 -9.26253 W22 159 0.00000 3655 978 TIP3 OH2 15.77636 14.82495 -9.59403 W22 160 0.00000 3656 978 TIP3 H1 15.94431 14.74444 -10.53293 W22 160 0.00000 3657 978 TIP3 H2 15.82179 13.92750 -9.26427 W22 160 0.00000 3658 979 TIP3 OH2 13.05489 9.44256 -11.88766 W22 161 0.00000 3659 979 TIP3 H1 12.24982 9.39835 -12.40353 W22 161 0.00000 3660 979 TIP3 H2 12.75553 9.52494 -10.98222 W22 161 0.00000 3661 980 TIP3 OH2 24.16058 17.50365 -17.01135 W22 162 0.00000 3662 980 TIP3 H1 24.50221 17.41623 -16.12147 W22 162 0.00000 3663 980 TIP3 H2 24.00616 16.60373 -17.29862 W22 162 0.00000 3664 981 TIP3 OH2 23.85666 14.85891 -17.43796 W22 163 0.00000 3665 981 TIP3 H1 23.26704 14.51609 -18.10956 W22 163 0.00000 3666 981 TIP3 H2 23.68762 14.31401 -16.66937 W22 163 0.00000 3667 982 TIP3 OH2 19.46932 13.49720 -14.09279 W22 164 0.00000 3668 982 TIP3 H1 20.33803 13.15449 -13.88272 W22 164 0.00000 3669 982 TIP3 H2 19.30903 14.16800 -13.42905 W22 164 0.00000 3670 983 TIP3 OH2 15.96300 14.38240 -12.41452 W22 165 0.00000 3671 983 TIP3 H1 15.00595 14.39797 -12.42090 W22 165 0.00000 3672 983 TIP3 H2 16.21412 14.71089 -13.27780 W22 165 0.00000 3673 984 TIP3 OH2 22.49899 14.23521 -19.71211 W22 168 0.00000 3674 984 TIP3 H1 22.72743 13.66863 -20.44903 W22 168 0.00000 3675 984 TIP3 H2 21.60697 13.97788 -19.47908 W22 168 0.00000 3676 985 TIP3 OH2 15.98718 8.83744 -14.61476 W22 170 0.00000 3677 985 TIP3 H1 16.49278 8.02554 -14.65221 W22 170 0.00000 3678 985 TIP3 H2 16.07474 9.13310 -13.70859 W22 170 0.00000 3679 986 TIP3 OH2 17.22777 6.48390 -14.78705 W22 171 0.00000 3680 986 TIP3 H1 16.88883 6.62950 -15.67031 W22 171 0.00000 3681 986 TIP3 H2 17.92647 5.83971 -14.90129 W22 171 0.00000 3682 987 TIP3 OH2 24.13677 13.74509 -22.02924 W22 173 0.00000 3683 987 TIP3 H1 24.54279 12.96444 -22.40601 W22 173 0.00000 3684 987 TIP3 H2 24.75756 14.04086 -21.36338 W22 173 0.00000 3685 988 TIP3 OH2 20.72682 10.30505 -19.42156 W22 174 0.00000 3686 988 TIP3 H1 21.30095 10.15837 -18.66984 W22 174 0.00000 3687 988 TIP3 H2 19.92138 9.83607 -19.20349 W22 174 0.00000 3688 989 TIP3 OH2 18.65014 8.93571 -17.98577 W22 175 0.00000 3689 989 TIP3 H1 17.75489 9.15137 -18.24700 W22 175 0.00000 3690 989 TIP3 H2 18.81162 9.47695 -17.21299 W22 175 0.00000 3691 990 TIP3 OH2 18.60990 0.59233 -18.69249 W22 177 0.00000 3692 990 TIP3 H1 19.46461 0.44369 -19.09696 W22 177 0.00000 3693 990 TIP3 H2 18.72189 1.39478 -18.18283 W22 177 0.00000 3694 991 TIP3 OH2 18.68714 3.25931 -18.15666 W22 181 0.00000 3695 991 TIP3 H1 18.00905 3.76936 -18.59969 W22 181 0.00000 3696 991 TIP3 H2 19.47018 3.38425 -18.69281 W22 181 0.00000 3697 992 TIP3 OH2 18.61878 21.01489 -13.57851 W22 184 0.00000 3698 992 TIP3 H1 19.57497 20.97100 -13.57820 W22 184 0.00000 3699 992 TIP3 H2 18.36562 20.73967 -12.69738 W22 184 0.00000 3700 993 TIP3 OH2 4.20350 16.14400 -20.52156 W22 186 0.00000 3701 993 TIP3 H1 3.90514 16.84104 -21.10580 W22 186 0.00000 3702 993 TIP3 H2 3.44624 15.56543 -20.43191 W22 186 0.00000 3703 994 TIP3 OH2 8.34272 18.30305 -19.14982 W22 187 0.00000 3704 994 TIP3 H1 7.97787 19.17294 -18.98736 W22 187 0.00000 3705 994 TIP3 H2 9.11845 18.25991 -18.59070 W22 187 0.00000 3706 995 TIP3 OH2 8.77757 15.82576 -14.35660 W22 188 0.00000 3707 995 TIP3 H1 8.42651 14.95656 -14.16302 W22 188 0.00000 3708 995 TIP3 H2 9.45330 15.96490 -13.69309 W22 188 0.00000 3709 996 TIP3 OH2 10.41621 16.40525 -12.18793 W22 189 0.00000 3710 996 TIP3 H1 11.23844 15.91782 -12.23855 W22 189 0.00000 3711 996 TIP3 H2 9.95889 16.02710 -11.43687 W22 189 0.00000 3712 997 TIP3 OH2 20.11161 3.77282 -20.82348 W22 190 0.00000 3713 997 TIP3 H1 19.71985 4.51874 -21.27774 W22 190 0.00000 3714 997 TIP3 H2 20.87562 3.54383 -21.35271 W22 190 0.00000 3715 998 TIP3 OH2 5.49335 21.30840 -18.69527 W22 191 0.00000 3716 998 TIP3 H1 5.16723 22.14274 -19.03252 W22 191 0.00000 3717 998 TIP3 H2 4.76753 20.69765 -18.82322 W22 191 0.00000 3718 999 TIP3 OH2 7.91825 20.86643 -17.64026 W22 192 0.00000 3719 999 TIP3 H1 7.04844 20.93325 -18.03421 W22 192 0.00000 3720 999 TIP3 H2 8.22177 21.77178 -17.57376 W22 192 0.00000 3721 1000 TIP3 OH2 11.64560 19.77111 -14.84942 W22 193 0.00000 3722 1000 TIP3 H1 11.60098 20.71206 -15.01923 W22 193 0.00000 3723 1000 TIP3 H2 11.06960 19.63545 -14.09705 W22 193 0.00000 3724 1001 TIP3 OH2 12.94134 17.61718 -13.73069 W22 194 0.00000 3725 1001 TIP3 H1 12.46044 18.20593 -14.31236 W22 194 0.00000 3726 1001 TIP3 H2 12.98662 18.08682 -12.89785 W22 194 0.00000 3727 1002 TIP3 OH2 13.95765 17.59921 -10.84969 W22 195 0.00000 3728 1002 TIP3 H1 13.67149 18.41074 -10.43047 W22 195 0.00000 3729 1002 TIP3 H2 14.77662 17.83111 -11.28755 W22 195 0.00000 3730 1003 TIP3 OH2 7.62202 22.64551 -21.03317 W22 196 0.00000 3731 1003 TIP3 H1 7.18010 21.79650 -21.04335 W22 196 0.00000 3732 1003 TIP3 H2 8.53724 22.43744 -20.84523 W22 196 0.00000 3733 1004 TIP3 OH2 10.37628 21.96833 -20.91405 W22 197 0.00000 3734 1004 TIP3 H1 10.42268 21.31740 -21.61431 W22 197 0.00000 3735 1004 TIP3 H2 10.56832 21.47619 -20.11583 W22 197 0.00000 3736 1005 TIP3 OH2 11.34527 20.87000 -18.62633 W22 198 0.00000 3737 1005 TIP3 H1 11.97429 20.39835 -19.17232 W22 198 0.00000 3738 1005 TIP3 H2 10.76342 20.18941 -18.28801 W22 198 0.00000 3739 1006 TIP3 OH2 23.01748 7.66258 -23.92562 W22 200 0.00000 3740 1006 TIP3 H1 23.57208 8.16096 -23.32538 W22 200 0.00000 3741 1006 TIP3 H2 22.49166 8.32560 -24.37299 W22 200 0.00000 3742 1007 TIP3 OH2 24.90049 8.95742 -22.57065 W22 201 0.00000 3743 1007 TIP3 H1 25.83090 8.76165 -22.68131 W22 201 0.00000 3744 1007 TIP3 H2 24.84736 9.39916 -21.72313 W22 201 0.00000 3745 1008 TIP3 OH2 21.34076 21.53641 -13.07003 W22 211 0.00000 3746 1008 TIP3 H1 21.83719 21.47934 -13.88643 W22 211 0.00000 3747 1008 TIP3 H2 21.45091 22.44356 -12.78508 W22 211 0.00000 3748 1009 TIP3 OH2 15.50372 2.33647 -22.77070 W22 215 0.00000 3749 1009 TIP3 H1 15.12766 1.45776 -22.71892 W22 215 0.00000 3750 1009 TIP3 H2 16.32343 2.27599 -22.28017 W22 215 0.00000 3751 1010 TIP3 OH2 13.13531 12.86458 -10.37406 W22 216 0.00000 3752 1010 TIP3 H1 13.02279 13.34767 -11.19272 W22 216 0.00000 3753 1010 TIP3 H2 12.63266 13.36337 -9.73003 W22 216 0.00000 3754 1011 TIP3 OH2 6.28203 4.34770 -14.45418 W23 1 0.00000 3755 1011 TIP3 H1 6.11503 5.03541 -13.80965 W23 1 0.00000 3756 1011 TIP3 H2 6.38703 4.81558 -15.28260 W23 1 0.00000 3757 1012 TIP3 OH2 3.53988 1.92749 -14.52244 W23 2 0.00000 3758 1012 TIP3 H1 3.25986 1.03935 -14.74387 W23 2 0.00000 3759 1012 TIP3 H2 3.99459 2.23799 -15.30542 W23 2 0.00000 3760 1013 TIP3 OH2 -2.48119 3.15213 -19.33631 W23 3 0.00000 3761 1013 TIP3 H1 -2.72732 2.23912 -19.48487 W23 3 0.00000 3762 1013 TIP3 H2 -2.34199 3.21242 -18.39121 W23 3 0.00000 3763 1014 TIP3 OH2 6.16321 3.78384 -10.65856 W23 4 0.00000 3764 1014 TIP3 H1 5.80915 3.15011 -11.28246 W23 4 0.00000 3765 1014 TIP3 H2 5.49444 3.84882 -9.97684 W23 4 0.00000 3766 1015 TIP3 OH2 -2.37221 6.78769 -16.24253 W23 5 0.00000 3767 1015 TIP3 H1 -2.10484 6.62259 -17.14668 W23 5 0.00000 3768 1015 TIP3 H2 -1.71953 6.33075 -15.71202 W23 5 0.00000 3769 1016 TIP3 OH2 0.55248 6.76259 -24.26470 W23 6 0.00000 3770 1016 TIP3 H1 -0.01569 7.48795 -24.00535 W23 6 0.00000 3771 1016 TIP3 H2 0.71541 6.90682 -25.19684 W23 6 0.00000 3772 1017 TIP3 OH2 -1.11164 6.54982 -21.64106 W23 7 0.00000 3773 1017 TIP3 H1 -1.06432 5.61395 -21.83628 W23 7 0.00000 3774 1017 TIP3 H2 -0.24752 6.76585 -21.29051 W23 7 0.00000 3775 1018 TIP3 OH2 2.39483 8.00808 -9.11073 W23 8 0.00000 3776 1018 TIP3 H1 3.21548 7.53256 -9.23969 W23 8 0.00000 3777 1018 TIP3 H2 1.72297 7.32656 -9.09202 W23 8 0.00000 3778 1019 TIP3 OH2 1.38473 3.81504 -13.83935 W23 9 0.00000 3779 1019 TIP3 H1 2.21227 3.65293 -14.29226 W23 9 0.00000 3780 1019 TIP3 H2 1.41417 3.24195 -13.07324 W23 9 0.00000 3781 1020 TIP3 OH2 9.38579 -5.24535 -13.37614 W23 10 0.00000 3782 1020 TIP3 H1 8.72462 -5.34562 -12.69128 W23 10 0.00000 3783 1020 TIP3 H2 9.99769 -4.59787 -13.02604 W23 10 0.00000 3784 1021 TIP3 OH2 5.12879 -1.18736 -15.37357 W23 11 0.00000 3785 1021 TIP3 H1 5.52585 -1.87919 -15.90265 W23 11 0.00000 3786 1021 TIP3 H2 5.60807 -0.39500 -15.61582 W23 11 0.00000 3787 1022 TIP3 OH2 3.01648 1.64714 -22.11176 W23 12 0.00000 3788 1022 TIP3 H1 3.03751 2.48491 -21.64925 W23 12 0.00000 3789 1022 TIP3 H2 3.31805 1.85377 -22.99640 W23 12 0.00000 3790 1023 TIP3 OH2 9.18725 0.22620 -17.40960 W23 13 0.00000 3791 1023 TIP3 H1 9.31126 -0.62490 -16.98951 W23 13 0.00000 3792 1023 TIP3 H2 9.76982 0.81673 -16.93199 W23 13 0.00000 3793 1024 TIP3 OH2 -0.54371 3.86338 -22.51323 W23 14 0.00000 3794 1024 TIP3 H1 -0.21267 2.99093 -22.30001 W23 14 0.00000 3795 1024 TIP3 H2 0.17481 4.28387 -22.98561 W23 14 0.00000 3796 1025 TIP3 OH2 2.90045 3.70122 -18.30379 W23 15 0.00000 3797 1025 TIP3 H1 3.14707 2.80528 -18.07423 W23 15 0.00000 3798 1025 TIP3 H2 2.99217 3.73893 -19.25584 W23 15 0.00000 3799 1026 TIP3 OH2 7.66347 -5.88121 -11.38456 W23 16 0.00000 3800 1026 TIP3 H1 7.04865 -5.14942 -11.43665 W23 16 0.00000 3801 1026 TIP3 H2 7.11515 -6.64220 -11.19355 W23 16 0.00000 3802 1027 TIP3 OH2 -0.13206 -1.39375 -22.26838 W23 17 0.00000 3803 1027 TIP3 H1 0.05630 -0.45650 -22.31636 W23 17 0.00000 3804 1027 TIP3 H2 -1.08428 -1.45151 -22.34691 W23 17 0.00000 3805 1028 TIP3 OH2 5.91795 6.78739 -13.17435 W23 18 0.00000 3806 1028 TIP3 H1 6.39609 7.23825 -13.87029 W23 18 0.00000 3807 1028 TIP3 H2 5.37441 7.46774 -12.77696 W23 18 0.00000 3808 1029 TIP3 OH2 -1.16940 2.67534 -15.34278 W23 19 0.00000 3809 1029 TIP3 H1 -1.93119 3.25179 -15.40290 W23 19 0.00000 3810 1029 TIP3 H2 -0.66766 3.01709 -14.60272 W23 19 0.00000 3811 1030 TIP3 OH2 9.27911 -2.15485 -16.04622 W23 20 0.00000 3812 1030 TIP3 H1 9.03580 -2.94862 -16.52259 W23 20 0.00000 3813 1030 TIP3 H2 9.21688 -2.40036 -15.12314 W23 20 0.00000 3814 1031 TIP3 OH2 0.33155 1.36831 -21.96037 W23 21 0.00000 3815 1031 TIP3 H1 0.28089 1.33678 -21.00503 W23 21 0.00000 3816 1031 TIP3 H2 1.26797 1.32016 -22.15276 W23 21 0.00000 3817 1032 TIP3 OH2 0.25853 11.20984 -20.71068 W23 23 0.00000 3818 1032 TIP3 H1 0.59336 12.04568 -21.03546 W23 23 0.00000 3819 1032 TIP3 H2 -0.29741 11.44621 -19.96821 W23 23 0.00000 3820 1033 TIP3 OH2 7.48611 -5.58013 -15.44474 W23 25 0.00000 3821 1033 TIP3 H1 6.81706 -4.90239 -15.54095 W23 25 0.00000 3822 1033 TIP3 H2 8.15431 -5.18043 -14.88800 W23 25 0.00000 3823 1034 TIP3 OH2 5.14875 -2.83390 -22.22957 W23 26 0.00000 3824 1034 TIP3 H1 5.42261 -3.39086 -22.95828 W23 26 0.00000 3825 1034 TIP3 H2 4.28582 -2.50923 -22.48678 W23 26 0.00000 3826 1035 TIP3 OH2 4.81694 7.29410 -9.41132 W23 27 0.00000 3827 1035 TIP3 H1 5.65952 7.00424 -9.76099 W23 27 0.00000 3828 1035 TIP3 H2 5.03903 8.00046 -8.80474 W23 27 0.00000 3829 1036 TIP3 OH2 7.28398 6.50234 -10.53477 W23 28 0.00000 3830 1036 TIP3 H1 7.74990 6.53579 -11.37025 W23 28 0.00000 3831 1036 TIP3 H2 6.91527 5.61967 -10.50077 W23 28 0.00000 3832 1037 TIP3 OH2 3.23420 -0.66679 -7.54053 W23 29 0.00000 3833 1037 TIP3 H1 4.01741 -0.61496 -8.08837 W23 29 0.00000 3834 1037 TIP3 H2 3.29227 0.09659 -6.96599 W23 29 0.00000 3835 1038 TIP3 OH2 7.38018 5.96860 -16.66000 W23 30 0.00000 3836 1038 TIP3 H1 6.96219 6.79703 -16.89497 W23 30 0.00000 3837 1038 TIP3 H2 8.26249 6.21516 -16.38259 W23 30 0.00000 3838 1039 TIP3 OH2 9.90465 6.89658 -18.63960 W23 31 0.00000 3839 1039 TIP3 H1 9.93015 6.24378 -17.94001 W23 31 0.00000 3840 1039 TIP3 H2 10.75290 6.81451 -19.07545 W23 31 0.00000 3841 1040 TIP3 OH2 6.97153 -2.43159 -9.39736 W23 32 0.00000 3842 1040 TIP3 H1 6.24556 -1.81041 -9.33968 W23 32 0.00000 3843 1040 TIP3 H2 7.75141 -1.90665 -9.21723 W23 32 0.00000 3844 1041 TIP3 OH2 8.94652 4.33850 -13.93274 W23 33 0.00000 3845 1041 TIP3 H1 8.00043 4.35268 -14.07740 W23 33 0.00000 3846 1041 TIP3 H2 9.17941 3.41044 -13.95883 W23 33 0.00000 3847 1042 TIP3 OH2 3.44153 -2.88958 -12.19577 W23 34 0.00000 3848 1042 TIP3 H1 2.85909 -2.78849 -11.44292 W23 34 0.00000 3849 1042 TIP3 H2 3.40796 -2.04268 -12.64059 W23 34 0.00000 3850 1043 TIP3 OH2 1.91156 6.28879 -18.45458 W23 35 0.00000 3851 1043 TIP3 H1 2.36033 6.69738 -19.19477 W23 35 0.00000 3852 1043 TIP3 H2 2.29615 5.41437 -18.39376 W23 35 0.00000 3853 1044 TIP3 OH2 0.14407 2.92331 -17.82001 W23 37 0.00000 3854 1044 TIP3 H1 0.98902 3.32443 -17.61652 W23 37 0.00000 3855 1044 TIP3 H2 -0.28173 2.81612 -16.96946 W23 37 0.00000 3856 1045 TIP3 OH2 10.01631 5.69963 -16.01554 W23 40 0.00000 3857 1045 TIP3 H1 9.85474 5.10854 -15.28019 W23 40 0.00000 3858 1045 TIP3 H2 10.61764 6.35770 -15.66683 W23 40 0.00000 3859 1046 TIP3 OH2 -4.15219 1.42437 -17.57313 W23 41 0.00000 3860 1046 TIP3 H1 -4.78787 1.36905 -16.85963 W23 41 0.00000 3861 1046 TIP3 H2 -4.55702 2.01307 -18.21012 W23 41 0.00000 3862 1047 TIP3 OH2 3.96482 8.65850 -11.89487 W23 42 0.00000 3863 1047 TIP3 H1 3.66383 8.17938 -11.12281 W23 42 0.00000 3864 1047 TIP3 H2 3.49874 9.49365 -11.85583 W23 42 0.00000 3865 1048 TIP3 OH2 15.35688 -0.90860 -19.11196 W23 44 0.00000 3866 1048 TIP3 H1 14.51392 -0.71273 -19.52096 W23 44 0.00000 3867 1048 TIP3 H2 15.51551 -0.17035 -18.52370 W23 44 0.00000 3868 1049 TIP3 OH2 3.15574 7.61213 -20.55169 W23 45 0.00000 3869 1049 TIP3 H1 3.03235 8.54878 -20.39778 W23 45 0.00000 3870 1049 TIP3 H2 3.03446 7.50595 -21.49521 W23 45 0.00000 3871 1050 TIP3 OH2 12.44330 9.35492 -9.28291 W23 46 0.00000 3872 1050 TIP3 H1 12.06551 9.84280 -8.55115 W23 46 0.00000 3873 1050 TIP3 H2 13.18620 8.88717 -8.90142 W23 46 0.00000 3874 1051 TIP3 OH2 -6.11321 4.61309 -18.64274 W23 47 0.00000 3875 1051 TIP3 H1 -5.89461 5.30479 -19.26723 W23 47 0.00000 3876 1051 TIP3 H2 -6.01423 3.80102 -19.13971 W23 47 0.00000 3877 1052 TIP3 OH2 -5.12917 8.62724 -17.99430 W23 48 0.00000 3878 1052 TIP3 H1 -4.43766 8.22839 -17.46614 W23 48 0.00000 3879 1052 TIP3 H2 -5.82359 8.82947 -17.36732 W23 48 0.00000 3880 1053 TIP3 OH2 3.68425 11.86209 -10.80405 W23 51 0.00000 3881 1053 TIP3 H1 4.30540 12.43736 -11.25066 W23 51 0.00000 3882 1053 TIP3 H2 3.31077 12.40501 -10.10980 W23 51 0.00000 3883 1054 TIP3 OH2 -1.33033 11.98283 -15.24903 W23 52 0.00000 3884 1054 TIP3 H1 -1.69875 11.11441 -15.08676 W23 52 0.00000 3885 1054 TIP3 H2 -1.60869 12.19916 -16.13894 W23 52 0.00000 3886 1055 TIP3 OH2 8.03249 12.26275 -10.29955 W23 53 0.00000 3887 1055 TIP3 H1 8.84434 11.95537 -10.70283 W23 53 0.00000 3888 1055 TIP3 H2 7.51316 11.46911 -10.17049 W23 53 0.00000 3889 1056 TIP3 OH2 6.00365 10.49081 -9.65346 W23 54 0.00000 3890 1056 TIP3 H1 5.22777 10.75014 -10.15045 W23 54 0.00000 3891 1056 TIP3 H2 6.04136 9.53893 -9.74683 W23 54 0.00000 3892 1057 TIP3 OH2 -5.75055 4.05024 -15.91326 W23 56 0.00000 3893 1057 TIP3 H1 -6.05903 3.16419 -15.72360 W23 56 0.00000 3894 1057 TIP3 H2 -6.05626 4.22544 -16.80324 W23 56 0.00000 3895 1058 TIP3 OH2 2.50836 -1.83960 -23.18888 W23 57 0.00000 3896 1058 TIP3 H1 2.23480 -1.33871 -23.95733 W23 57 0.00000 3897 1058 TIP3 H2 1.92289 -1.54663 -22.49058 W23 57 0.00000 3898 1059 TIP3 OH2 3.45973 -5.82897 -19.14077 W23 58 0.00000 3899 1059 TIP3 H1 3.37633 -6.74797 -18.88640 W23 58 0.00000 3900 1059 TIP3 H2 2.81913 -5.71520 -19.84284 W23 58 0.00000 3901 1060 TIP3 OH2 3.85658 -5.00309 -14.13495 W23 59 0.00000 3902 1060 TIP3 H1 3.02408 -5.44732 -14.29563 W23 59 0.00000 3903 1060 TIP3 H2 3.61172 -4.18011 -13.71188 W23 59 0.00000 3904 1061 TIP3 OH2 12.23705 7.47589 -15.13218 W23 60 0.00000 3905 1061 TIP3 H1 12.95931 7.93346 -15.56253 W23 60 0.00000 3906 1061 TIP3 H2 12.54363 7.33197 -14.23690 W23 60 0.00000 3907 1062 TIP3 OH2 10.88005 4.42196 -21.94303 W23 61 0.00000 3908 1062 TIP3 H1 10.08945 3.90404 -21.79166 W23 61 0.00000 3909 1062 TIP3 H2 11.20027 4.12751 -22.79565 W23 61 0.00000 3910 1063 TIP3 OH2 0.18387 0.71035 -19.45290 W23 62 0.00000 3911 1063 TIP3 H1 -0.70324 0.42476 -19.67127 W23 62 0.00000 3912 1063 TIP3 H2 0.05831 1.47406 -18.88969 W23 62 0.00000 3913 1064 TIP3 OH2 3.50014 4.25072 -21.00362 W23 63 0.00000 3914 1064 TIP3 H1 3.05754 4.36044 -21.84523 W23 63 0.00000 3915 1064 TIP3 H2 4.43000 4.35301 -21.20635 W23 63 0.00000 3916 1065 TIP3 OH2 7.84044 3.47150 -17.43021 W23 64 0.00000 3917 1065 TIP3 H1 7.49052 4.34541 -17.25679 W23 64 0.00000 3918 1065 TIP3 H2 8.77705 3.54750 -17.24788 W23 64 0.00000 3919 1066 TIP3 OH2 6.81896 0.89129 -16.19168 W23 66 0.00000 3920 1066 TIP3 H1 6.96333 1.83689 -16.15657 W23 66 0.00000 3921 1066 TIP3 H2 7.50721 0.56480 -16.77128 W23 66 0.00000 3922 1067 TIP3 OH2 -2.66768 0.42910 -20.11690 W23 67 0.00000 3923 1067 TIP3 H1 -3.40558 0.12942 -19.58593 W23 67 0.00000 3924 1067 TIP3 H2 -2.78288 -0.01197 -20.95857 W23 67 0.00000 3925 1068 TIP3 OH2 9.25234 6.35761 -24.02405 W23 68 0.00000 3926 1068 TIP3 H1 8.62689 5.71810 -24.36475 W23 68 0.00000 3927 1068 TIP3 H2 8.99121 7.18624 -24.42580 W23 68 0.00000 3928 1069 TIP3 OH2 0.13200 3.73688 -26.35057 W23 69 0.00000 3929 1069 TIP3 H1 0.08251 3.02783 -25.70946 W23 69 0.00000 3930 1069 TIP3 H2 1.06027 3.79059 -26.57784 W23 69 0.00000 3931 1070 TIP3 OH2 3.78338 6.86025 -26.52895 W23 70 0.00000 3932 1070 TIP3 H1 4.29244 7.48613 -26.01381 W23 70 0.00000 3933 1070 TIP3 H2 2.89703 7.22155 -26.53800 W23 70 0.00000 3934 1071 TIP3 OH2 2.66804 -0.88542 -14.03323 W23 71 0.00000 3935 1071 TIP3 H1 3.52267 -0.98530 -14.45258 W23 71 0.00000 3936 1071 TIP3 H2 2.11243 -1.53574 -14.46288 W23 71 0.00000 3937 1072 TIP3 OH2 5.35430 0.95110 -20.63530 W23 72 0.00000 3938 1072 TIP3 H1 4.53575 1.10012 -21.10857 W23 72 0.00000 3939 1072 TIP3 H2 5.17083 0.20189 -20.06850 W23 72 0.00000 3940 1073 TIP3 OH2 2.14581 4.54290 -23.38840 W23 73 0.00000 3941 1073 TIP3 H1 1.74652 5.13236 -24.02818 W23 73 0.00000 3942 1073 TIP3 H2 2.85484 4.11374 -23.86728 W23 73 0.00000 3943 1074 TIP3 OH2 6.14354 4.88771 -21.73395 W23 74 0.00000 3944 1074 TIP3 H1 6.60270 4.54432 -20.96748 W23 74 0.00000 3945 1074 TIP3 H2 6.21010 5.83867 -21.64749 W23 74 0.00000 3946 1075 TIP3 OH2 6.37010 -3.20366 -17.12069 W23 75 0.00000 3947 1075 TIP3 H1 5.43245 -3.33316 -17.26306 W23 75 0.00000 3948 1075 TIP3 H2 6.63826 -2.60504 -17.81781 W23 75 0.00000 3949 1076 TIP3 OH2 6.48374 7.74811 -22.63292 W23 76 0.00000 3950 1076 TIP3 H1 6.70945 8.13669 -23.47807 W23 76 0.00000 3951 1076 TIP3 H2 7.26030 7.88565 -22.09048 W23 76 0.00000 3952 1077 TIP3 OH2 -6.34467 1.34175 -15.80498 W23 78 0.00000 3953 1077 TIP3 H1 -6.31568 0.89309 -14.95995 W23 78 0.00000 3954 1077 TIP3 H2 -7.27663 1.39446 -16.01686 W23 78 0.00000 3955 1078 TIP3 OH2 4.04721 1.11134 -17.26813 W23 79 0.00000 3956 1078 TIP3 H1 4.97024 0.92369 -17.43848 W23 79 0.00000 3957 1078 TIP3 H2 3.59687 0.28685 -17.45152 W23 79 0.00000 3958 1079 TIP3 OH2 4.39066 2.58943 -24.36959 W23 80 0.00000 3959 1079 TIP3 H1 4.50376 2.11711 -25.19442 W23 80 0.00000 3960 1079 TIP3 H2 5.27958 2.69868 -24.03177 W23 80 0.00000 3961 1080 TIP3 OH2 2.05937 -1.11448 -18.45332 W23 81 0.00000 3962 1080 TIP3 H1 1.27758 -0.60685 -18.67092 W23 81 0.00000 3963 1080 TIP3 H2 1.81547 -1.60659 -17.66938 W23 81 0.00000 3964 1081 TIP3 OH2 5.89487 8.38953 -16.72041 W23 82 0.00000 3965 1081 TIP3 H1 5.78223 8.51432 -17.66273 W23 82 0.00000 3966 1081 TIP3 H2 5.15809 7.83583 -16.46191 W23 82 0.00000 3967 1082 TIP3 OH2 5.09268 -0.42973 -9.60302 W23 83 0.00000 3968 1082 TIP3 H1 5.73091 0.02325 -9.05194 W23 83 0.00000 3969 1082 TIP3 H2 4.80978 0.23092 -10.23527 W23 83 0.00000 3970 1083 TIP3 OH2 12.08915 3.50012 -19.51288 W23 84 0.00000 3971 1083 TIP3 H1 11.52699 3.98810 -20.11460 W23 84 0.00000 3972 1083 TIP3 H2 11.79735 3.76780 -18.64142 W23 84 0.00000 3973 1084 TIP3 OH2 -0.64505 0.51473 -11.83909 W23 85 0.00000 3974 1084 TIP3 H1 -1.28603 -0.16262 -12.05487 W23 85 0.00000 3975 1084 TIP3 H2 -1.13702 1.15611 -11.32641 W23 85 0.00000 3976 1085 TIP3 OH2 10.83847 3.39836 -17.23555 W23 86 0.00000 3977 1085 TIP3 H1 11.26615 2.79664 -16.62625 W23 86 0.00000 3978 1085 TIP3 H2 10.97027 4.26441 -16.84979 W23 86 0.00000 3979 1086 TIP3 OH2 -0.96678 5.69805 -18.51727 W23 87 0.00000 3980 1086 TIP3 H1 -0.06859 5.84909 -18.22286 W23 87 0.00000 3981 1086 TIP3 H2 -0.96147 4.80208 -18.85407 W23 87 0.00000 3982 1087 TIP3 OH2 7.47536 9.30304 -14.65603 W23 88 0.00000 3983 1087 TIP3 H1 6.74867 9.69830 -14.17445 W23 88 0.00000 3984 1087 TIP3 H2 7.08237 8.99374 -15.47219 W23 88 0.00000 3985 1088 TIP3 OH2 -5.99160 2.12595 -19.76655 W23 89 0.00000 3986 1088 TIP3 H1 -6.25818 1.21847 -19.61942 W23 89 0.00000 3987 1088 TIP3 H2 -5.90694 2.20010 -20.71711 W23 89 0.00000 3988 1089 TIP3 OH2 -2.62825 -2.01020 -14.67324 W23 90 0.00000 3989 1089 TIP3 H1 -2.17357 -1.42530 -15.27935 W23 90 0.00000 3990 1089 TIP3 H2 -1.92684 -2.46028 -14.20241 W23 90 0.00000 3991 1090 TIP3 OH2 14.22880 2.11323 -13.94114 W23 92 0.00000 3992 1090 TIP3 H1 14.43945 2.48205 -14.79894 W23 92 0.00000 3993 1090 TIP3 H2 14.17731 2.87190 -13.35978 W23 92 0.00000 3994 1091 TIP3 OH2 9.85343 8.22873 -9.06526 W23 94 0.00000 3995 1091 TIP3 H1 9.67400 7.59657 -9.76125 W23 94 0.00000 3996 1091 TIP3 H2 10.69779 8.61268 -9.30162 W23 94 0.00000 3997 1092 TIP3 OH2 5.01024 1.03310 -12.07931 W23 95 0.00000 3998 1092 TIP3 H1 4.48668 1.20604 -12.86175 W23 95 0.00000 3999 1092 TIP3 H2 5.79006 0.58479 -12.40663 W23 95 0.00000 4000 1093 TIP3 OH2 1.17448 8.98219 -15.45404 W23 96 0.00000 4001 1093 TIP3 H1 1.40156 9.45549 -14.65364 W23 96 0.00000 4002 1093 TIP3 H2 0.71380 9.62658 -15.99140 W23 96 0.00000 4003 1094 TIP3 OH2 3.66536 10.58071 -23.51351 W23 97 0.00000 4004 1094 TIP3 H1 3.61413 10.54021 -22.55854 W23 97 0.00000 4005 1094 TIP3 H2 2.80444 10.89751 -23.78680 W23 97 0.00000 4006 1095 TIP3 OH2 3.18735 7.23082 -16.20175 W23 98 0.00000 4007 1095 TIP3 H1 2.69051 7.90042 -15.73162 W23 98 0.00000 4008 1095 TIP3 H2 2.58228 6.90752 -16.86930 W23 98 0.00000 4009 1096 TIP3 OH2 0.93867 11.32082 -13.88345 W23 100 0.00000 4010 1096 TIP3 H1 0.23590 11.67374 -14.42915 W23 100 0.00000 4011 1096 TIP3 H2 0.66980 11.52088 -12.98683 W23 100 0.00000 4012 1097 TIP3 OH2 10.24290 9.20222 -12.87915 W23 102 0.00000 4013 1097 TIP3 H1 10.06888 8.29487 -12.62884 W23 102 0.00000 4014 1097 TIP3 H2 9.58369 9.39814 -13.54495 W23 102 0.00000 4015 1098 TIP3 OH2 11.61810 10.55323 -6.82368 W23 104 0.00000 4016 1098 TIP3 H1 12.01184 10.78923 -5.98373 W23 104 0.00000 4017 1098 TIP3 H2 10.74362 10.94152 -6.79634 W23 104 0.00000 4018 1099 TIP3 OH2 -2.85882 -1.62195 -22.32236 W23 105 0.00000 4019 1099 TIP3 H1 -3.52178 -1.05360 -22.71438 W23 105 0.00000 4020 1099 TIP3 H2 -2.91822 -2.43802 -22.81907 W23 105 0.00000 4021 1100 TIP3 OH2 9.77826 6.54385 -12.44480 W23 106 0.00000 4022 1100 TIP3 H1 9.46538 5.78014 -12.92964 W23 106 0.00000 4023 1100 TIP3 H2 10.21988 6.17737 -11.67872 W23 106 0.00000 4024 1101 TIP3 OH2 -5.98278 7.40733 -15.20694 W23 107 0.00000 4025 1101 TIP3 H1 -5.50682 6.73450 -15.69377 W23 107 0.00000 4026 1101 TIP3 H2 -6.49890 6.91936 -14.56528 W23 107 0.00000 4027 1102 TIP3 OH2 6.96821 12.94836 -16.59523 W23 108 0.00000 4028 1102 TIP3 H1 7.74167 12.73465 -17.11707 W23 108 0.00000 4029 1102 TIP3 H2 6.36306 12.22425 -16.75543 W23 108 0.00000 4030 1103 TIP3 OH2 4.76529 11.37876 -16.77151 W23 109 0.00000 4031 1103 TIP3 H1 4.50977 10.45642 -16.75696 W23 109 0.00000 4032 1103 TIP3 H2 4.25675 11.77981 -16.06670 W23 109 0.00000 4033 1104 TIP3 OH2 2.97622 10.38891 -20.79771 W23 110 0.00000 4034 1104 TIP3 H1 2.02344 10.47445 -20.83127 W23 110 0.00000 4035 1104 TIP3 H2 3.23481 10.88767 -20.02273 W23 110 0.00000 4036 1105 TIP3 OH2 3.79050 -3.96594 -17.04215 W23 111 0.00000 4037 1105 TIP3 H1 3.79842 -4.58294 -16.31039 W23 111 0.00000 4038 1105 TIP3 H2 3.72190 -4.51818 -17.82096 W23 111 0.00000 4039 1106 TIP3 OH2 10.36462 1.47586 -19.71863 W23 112 0.00000 4040 1106 TIP3 H1 10.88963 2.25258 -19.52554 W23 112 0.00000 4041 1106 TIP3 H2 10.15876 1.10586 -18.86017 W23 112 0.00000 4042 1107 TIP3 OH2 5.52503 11.09814 -13.56499 W23 113 0.00000 4043 1107 TIP3 H1 4.78016 11.66663 -13.76046 W23 113 0.00000 4044 1107 TIP3 H2 6.14642 11.66525 -13.10837 W23 113 0.00000 4045 1108 TIP3 OH2 7.36542 3.00455 -20.15511 W23 114 0.00000 4046 1108 TIP3 H1 7.70804 3.03923 -19.26200 W23 114 0.00000 4047 1108 TIP3 H2 6.64133 2.38013 -20.11027 W23 114 0.00000 4048 1109 TIP3 OH2 1.27065 -2.63959 -16.07895 W23 115 0.00000 4049 1109 TIP3 H1 0.65413 -2.80160 -15.36489 W23 115 0.00000 4050 1109 TIP3 H2 1.86046 -3.39330 -16.06242 W23 115 0.00000 4051 1110 TIP3 OH2 8.30203 0.13879 -21.19909 W23 116 0.00000 4052 1110 TIP3 H1 7.43562 0.23609 -20.80401 W23 116 0.00000 4053 1110 TIP3 H2 8.89527 0.57391 -20.58673 W23 116 0.00000 4054 1111 TIP3 OH2 3.41487 12.69339 -14.64974 W23 117 0.00000 4055 1111 TIP3 H1 3.58936 13.50676 -14.17624 W23 117 0.00000 4056 1111 TIP3 H2 2.59115 12.37349 -14.28180 W23 117 0.00000 4057 1112 TIP3 OH2 7.26135 4.50335 -24.48958 W23 118 0.00000 4058 1112 TIP3 H1 6.67847 4.89230 -23.83751 W23 118 0.00000 4059 1112 TIP3 H2 7.78869 3.87533 -23.99589 W23 118 0.00000 4060 1113 TIP3 OH2 5.54805 -6.65974 -13.05955 W23 119 0.00000 4061 1113 TIP3 H1 4.90813 -6.12107 -13.52493 W23 119 0.00000 4062 1113 TIP3 H2 6.37040 -6.17599 -13.13677 W23 119 0.00000 4063 1114 TIP3 OH2 7.30226 0.24247 -13.45951 W23 120 0.00000 4064 1114 TIP3 H1 7.12788 0.45067 -14.37737 W23 120 0.00000 4065 1114 TIP3 H2 7.50185 -0.69368 -13.45950 W23 120 0.00000 4066 1115 TIP3 OH2 3.25100 12.66169 -19.01226 W23 121 0.00000 4067 1115 TIP3 H1 3.22845 12.74647 -18.05909 W23 121 0.00000 4068 1115 TIP3 H2 4.18124 12.69958 -19.23461 W23 121 0.00000 4069 1116 TIP3 OH2 5.16288 8.92195 -25.32014 W23 122 0.00000 4070 1116 TIP3 H1 4.70082 9.44394 -24.66419 W23 122 0.00000 4071 1116 TIP3 H2 4.82946 9.24070 -26.15886 W23 122 0.00000 4072 1117 TIP3 OH2 1.65906 -0.60841 -25.36920 W23 124 0.00000 4073 1117 TIP3 H1 2.10496 0.12576 -25.79155 W23 124 0.00000 4074 1117 TIP3 H2 1.42349 -1.19277 -26.08981 W23 124 0.00000 4075 1118 TIP3 OH2 -1.14134 11.60157 -18.06831 W23 125 0.00000 4076 1118 TIP3 H1 -1.87162 12.17570 -18.29918 W23 125 0.00000 4077 1118 TIP3 H2 -0.54825 12.15859 -17.56415 W23 125 0.00000 4078 1119 TIP3 OH2 7.61356 13.41867 -13.94814 W23 128 0.00000 4079 1119 TIP3 H1 7.18042 12.99829 -14.69105 W23 128 0.00000 4080 1119 TIP3 H2 8.45294 12.96502 -13.87161 W23 128 0.00000 4081 1120 TIP3 OH2 10.58822 11.60603 -10.92269 W23 130 0.00000 4082 1120 TIP3 H1 10.73995 10.68024 -11.11275 W23 130 0.00000 4083 1120 TIP3 H2 11.37764 11.88876 -10.46106 W23 130 0.00000 4084 1121 TIP3 OH2 -8.67488 1.29549 -16.89484 W23 131 0.00000 4085 1121 TIP3 H1 -8.08731 0.83708 -17.49553 W23 131 0.00000 4086 1121 TIP3 H2 -8.95994 2.06890 -17.38146 W23 131 0.00000 4087 1122 TIP3 OH2 6.01655 11.98912 -19.72738 W23 132 0.00000 4088 1122 TIP3 H1 5.97041 11.08453 -20.03692 W23 132 0.00000 4089 1122 TIP3 H2 6.95127 12.15220 -19.60118 W23 132 0.00000 4090 1123 TIP3 OH2 9.41185 11.07925 -15.54911 W23 134 0.00000 4091 1123 TIP3 H1 8.57213 10.68833 -15.30773 W23 134 0.00000 4092 1123 TIP3 H2 9.67030 10.61876 -16.34746 W23 134 0.00000 4093 1124 TIP3 OH2 1.74612 -0.78810 -9.77243 W23 135 0.00000 4094 1124 TIP3 H1 2.12672 -0.56461 -8.92306 W23 135 0.00000 4095 1124 TIP3 H2 1.00504 -0.18989 -9.86823 W23 135 0.00000 4096 1125 TIP3 OH2 -6.79984 -0.46179 -18.39954 W23 136 0.00000 4097 1125 TIP3 H1 -6.16136 -1.08877 -18.73934 W23 136 0.00000 4098 1125 TIP3 H2 -7.59207 -0.97965 -18.25661 W23 136 0.00000 4099 1126 TIP3 OH2 5.92139 8.71720 -19.54412 W23 137 0.00000 4100 1126 TIP3 H1 5.31901 8.09045 -19.94482 W23 137 0.00000 4101 1126 TIP3 H2 6.73809 8.61057 -20.03183 W23 137 0.00000 4102 1127 TIP3 OH2 -2.08754 -0.68795 -17.30438 W23 138 0.00000 4103 1127 TIP3 H1 -2.91166 -0.21902 -17.17337 W23 138 0.00000 4104 1127 TIP3 H2 -1.40967 -0.03281 -17.13850 W23 138 0.00000 4105 1128 TIP3 OH2 8.37948 8.34743 -20.58053 W23 139 0.00000 4106 1128 TIP3 H1 8.92889 8.92246 -21.11317 W23 139 0.00000 4107 1128 TIP3 H2 8.94703 8.07280 -19.86032 W23 139 0.00000 4108 1129 TIP3 OH2 14.22402 7.15656 -12.93576 W23 141 0.00000 4109 1129 TIP3 H1 14.72527 7.50688 -13.67213 W23 141 0.00000 4110 1129 TIP3 H2 14.08445 7.90903 -12.36084 W23 141 0.00000 4111 1130 TIP3 OH2 -1.70119 -3.28589 -18.48064 W23 142 0.00000 4112 1130 TIP3 H1 -0.95682 -3.42048 -19.06717 W23 142 0.00000 4113 1130 TIP3 H2 -1.58623 -2.39600 -18.14729 W23 142 0.00000 4114 1131 TIP3 OH2 0.78884 -2.83885 -20.12829 W23 143 0.00000 4115 1131 TIP3 H1 1.43016 -2.28161 -19.68737 W23 143 0.00000 4116 1131 TIP3 H2 0.53854 -2.34513 -20.90920 W23 143 0.00000 4117 1132 TIP3 OH2 -0.12949 0.10060 -15.36748 W23 144 0.00000 4118 1132 TIP3 H1 0.80506 0.12842 -15.16240 W23 144 0.00000 4119 1132 TIP3 H2 -0.45585 0.96507 -15.11763 W23 144 0.00000 4120 1133 TIP3 OH2 -4.38926 -3.25424 -18.05880 W23 147 0.00000 4121 1133 TIP3 H1 -4.58300 -3.21340 -18.99530 W23 147 0.00000 4122 1133 TIP3 H2 -3.43376 -3.28760 -18.01263 W23 147 0.00000 4123 1134 TIP3 OH2 1.88611 -5.09056 -21.14309 W23 148 0.00000 4124 1134 TIP3 H1 1.57556 -4.35675 -20.61270 W23 148 0.00000 4125 1134 TIP3 H2 1.83249 -4.77442 -22.04498 W23 148 0.00000 4126 1135 TIP3 OH2 -1.08760 -5.00678 -16.23142 W23 149 0.00000 4127 1135 TIP3 H1 -1.77246 -5.67551 -16.23412 W23 149 0.00000 4128 1135 TIP3 H2 -1.20101 -4.54376 -17.06146 W23 149 0.00000 4129 1136 TIP3 OH2 1.63016 -5.87733 -15.31096 W23 150 0.00000 4130 1136 TIP3 H1 0.89964 -5.62842 -15.87718 W23 150 0.00000 4131 1136 TIP3 H2 1.61115 -6.83430 -15.30144 W23 150 0.00000 4132 1137 TIP3 OH2 -4.71218 -3.83706 -20.75687 W23 152 0.00000 4133 1137 TIP3 H1 -3.92873 -3.97174 -21.29006 W23 152 0.00000 4134 1137 TIP3 H2 -5.20330 -4.65433 -20.84127 W23 152 0.00000 4135 1138 TIP3 OH2 0.48854 -7.41620 -20.57564 W23 153 0.00000 4136 1138 TIP3 H1 1.18576 -8.07060 -20.53229 W23 153 0.00000 4137 1138 TIP3 H2 0.94142 -6.59553 -20.76962 W23 153 0.00000 4138 1139 TIP3 OH2 -1.20566 -7.78131 -18.53337 W23 154 0.00000 4139 1139 TIP3 H1 -0.58820 -7.50769 -19.21168 W23 154 0.00000 4140 1139 TIP3 H2 -1.81642 -7.04845 -18.45506 W23 154 0.00000 4141 1140 TIP3 OH2 4.07990 14.84105 -13.18838 W23 155 0.00000 4142 1140 TIP3 H1 4.55343 14.53938 -12.41314 W23 155 0.00000 4143 1140 TIP3 H2 4.09529 15.79586 -13.12254 W23 155 0.00000 4144 1141 TIP3 OH2 1.92489 13.75393 -21.22420 W23 156 0.00000 4145 1141 TIP3 H1 2.32561 13.31962 -20.47120 W23 156 0.00000 4146 1141 TIP3 H2 2.60307 13.73776 -21.89950 W23 156 0.00000 4147 1142 TIP3 OH2 -4.15828 14.41455 -16.83713 W23 157 0.00000 4148 1142 TIP3 H1 -4.08061 14.67768 -17.75417 W23 157 0.00000 4149 1142 TIP3 H2 -4.08650 13.46020 -16.85440 W23 157 0.00000 4150 1143 TIP3 OH2 -4.14165 11.64196 -16.93518 W23 158 0.00000 4151 1143 TIP3 H1 -4.18579 11.05187 -17.68757 W23 158 0.00000 4152 1143 TIP3 H2 -4.68503 11.22184 -16.26850 W23 158 0.00000 4153 1144 TIP3 OH2 11.58991 4.93298 -10.72602 W23 162 0.00000 4154 1144 TIP3 H1 11.93154 4.84556 -9.83614 W23 162 0.00000 4155 1144 TIP3 H2 11.43549 4.03306 -11.01329 W23 162 0.00000 4156 1145 TIP3 OH2 11.28599 2.28824 -11.15263 W23 163 0.00000 4157 1145 TIP3 H1 10.69637 1.94542 -11.82423 W23 163 0.00000 4158 1145 TIP3 H2 11.11695 1.74334 -10.38404 W23 163 0.00000 4159 1146 TIP3 OH2 13.90383 4.53862 -12.24281 W23 166 0.00000 4160 1146 TIP3 H1 13.91637 5.42946 -12.59277 W23 166 0.00000 4161 1146 TIP3 H2 13.20479 4.54744 -11.58898 W23 166 0.00000 4162 1147 TIP3 OH2 14.68943 4.21488 -15.66694 W23 167 0.00000 4163 1147 TIP3 H1 14.98485 5.08056 -15.38485 W23 167 0.00000 4164 1147 TIP3 H2 15.18883 4.03895 -16.46436 W23 167 0.00000 4165 1148 TIP3 OH2 9.92831 1.66453 -13.42679 W23 168 0.00000 4166 1148 TIP3 H1 10.15676 1.09796 -14.16370 W23 168 0.00000 4167 1148 TIP3 H2 9.03629 1.40720 -13.19376 W23 168 0.00000 4168 1149 TIP3 OH2 -3.41453 5.36467 -20.68103 W23 169 0.00000 4169 1149 TIP3 H1 -2.64058 5.87250 -20.92462 W23 169 0.00000 4170 1149 TIP3 H2 -3.08933 4.71628 -20.05649 W23 169 0.00000 4171 1150 TIP3 OH2 4.65709 -6.08678 -8.50173 W23 171 0.00000 4172 1150 TIP3 H1 4.31816 -5.94117 -9.38498 W23 171 0.00000 4173 1150 TIP3 H2 5.35579 -6.73097 -8.61597 W23 171 0.00000 4174 1151 TIP3 OH2 15.63999 3.32604 -18.19085 W23 172 0.00000 4175 1151 TIP3 H1 15.74627 2.45042 -17.81907 W23 172 0.00000 4176 1151 TIP3 H2 15.09186 3.19345 -18.96429 W23 172 0.00000 4177 1152 TIP3 OH2 11.56610 1.17442 -15.74391 W23 173 0.00000 4178 1152 TIP3 H1 11.97211 0.39376 -16.12069 W23 173 0.00000 4179 1152 TIP3 H2 12.18688 1.47018 -15.07806 W23 173 0.00000 4180 1153 TIP3 OH2 8.15614 -2.26563 -13.13624 W23 174 0.00000 4181 1153 TIP3 H1 8.73028 -2.41230 -12.38451 W23 174 0.00000 4182 1153 TIP3 H2 7.35071 -2.73460 -12.91816 W23 174 0.00000 4183 1154 TIP3 OH2 6.07947 -3.63496 -11.70044 W23 175 0.00000 4184 1154 TIP3 H1 5.18422 -3.41930 -11.96167 W23 175 0.00000 4185 1154 TIP3 H2 6.24095 -3.09372 -10.92766 W23 175 0.00000 4186 1155 TIP3 OH2 -6.20030 -1.74808 -22.05542 W23 176 0.00000 4187 1155 TIP3 H1 -5.70412 -2.29356 -21.44510 W23 176 0.00000 4188 1155 TIP3 H2 -6.50955 -2.35781 -22.72535 W23 176 0.00000 4189 1156 TIP3 OH2 6.03923 -11.97834 -12.40716 W23 177 0.00000 4190 1156 TIP3 H1 6.89393 -12.12699 -12.81164 W23 177 0.00000 4191 1156 TIP3 H2 6.15122 -11.17589 -11.89750 W23 177 0.00000 4192 1157 TIP3 OH2 12.85531 -0.88692 -17.14357 W23 178 0.00000 4193 1157 TIP3 H1 12.57626 -1.79732 -17.04597 W23 178 0.00000 4194 1157 TIP3 H2 12.95938 -0.76770 -18.08760 W23 178 0.00000 4195 1158 TIP3 OH2 -0.08437 1.45876 -24.73604 W23 179 0.00000 4196 1158 TIP3 H1 0.27500 0.58122 -24.86645 W23 179 0.00000 4197 1158 TIP3 H2 -0.29939 1.49396 -23.80398 W23 179 0.00000 4198 1159 TIP3 OH2 -2.92747 3.31093 -23.51082 W23 180 0.00000 4199 1159 TIP3 H1 -1.99863 3.52684 -23.59373 W23 180 0.00000 4200 1159 TIP3 H2 -3.15349 3.56316 -22.61555 W23 180 0.00000 4201 1160 TIP3 OH2 6.11647 -9.31136 -11.87133 W23 181 0.00000 4202 1160 TIP3 H1 5.43838 -8.80131 -12.31436 W23 181 0.00000 4203 1160 TIP3 H2 6.89951 -9.18642 -12.40748 W23 181 0.00000 4204 1161 TIP3 OH2 16.39177 0.85073 -17.01127 W23 182 0.00000 4205 1161 TIP3 H1 17.22388 0.54915 -17.37579 W23 182 0.00000 4206 1161 TIP3 H2 16.58409 1.03086 -16.09106 W23 182 0.00000 4207 1162 TIP3 OH2 2.49284 4.67550 -27.77836 W23 183 0.00000 4208 1162 TIP3 H1 1.89281 5.20929 -28.29918 W23 183 0.00000 4209 1162 TIP3 H2 3.09398 5.30673 -27.38291 W23 183 0.00000 4210 1163 TIP3 OH2 6.04811 8.44422 -7.29318 W23 184 0.00000 4211 1163 TIP3 H1 7.00429 8.40032 -7.29288 W23 184 0.00000 4212 1163 TIP3 H2 5.79494 8.16899 -6.41206 W23 184 0.00000 4213 1164 TIP3 OH2 -2.67361 -1.71659 -25.86266 W23 185 0.00000 4214 1164 TIP3 H1 -3.46364 -2.08764 -26.25557 W23 185 0.00000 4215 1164 TIP3 H2 -2.79140 -0.76947 -25.93561 W23 185 0.00000 4216 1165 TIP3 OH2 7.54093 -8.79786 -14.53816 W23 190 0.00000 4217 1165 TIP3 H1 7.14918 -8.05193 -14.99241 W23 190 0.00000 4218 1165 TIP3 H2 8.30494 -9.02685 -15.06739 W23 190 0.00000 4219 1166 TIP3 OH2 -4.94865 10.07484 -14.74784 W23 196 0.00000 4220 1166 TIP3 H1 -5.39057 9.22583 -14.75802 W23 196 0.00000 4221 1166 TIP3 H2 -4.03344 9.86676 -14.55991 W23 196 0.00000 4222 1167 TIP3 OH2 6.46260 -1.85698 -19.84461 W23 199 0.00000 4223 1167 TIP3 H1 6.05248 -2.22222 -20.62859 W23 199 0.00000 4224 1167 TIP3 H2 7.40206 -1.96555 -19.99247 W23 199 0.00000 4225 1168 TIP3 OH2 10.44681 -4.90809 -17.64029 W23 200 0.00000 4226 1168 TIP3 H1 11.00140 -4.40972 -17.04006 W23 200 0.00000 4227 1168 TIP3 H2 9.92099 -4.24507 -18.08766 W23 200 0.00000 4228 1169 TIP3 OH2 12.32982 -3.61325 -16.28532 W23 201 0.00000 4229 1169 TIP3 H1 13.26022 -3.80903 -16.39599 W23 201 0.00000 4230 1169 TIP3 H2 12.27668 -3.17152 -15.43781 W23 201 0.00000 4231 1170 TIP3 OH2 3.25443 1.24213 -26.59676 W23 202 0.00000 4232 1170 TIP3 H1 3.15286 1.68307 -27.44025 W23 202 0.00000 4233 1170 TIP3 H2 3.86773 0.52828 -26.77145 W23 202 0.00000 4234 1171 TIP3 OH2 6.45616 -0.20869 -23.65501 W23 204 0.00000 4235 1171 TIP3 H1 6.92929 -0.22147 -22.82302 W23 204 0.00000 4236 1171 TIP3 H2 5.82214 -0.92201 -23.58153 W23 204 0.00000 4237 1172 TIP3 OH2 9.05128 -3.14043 -19.38074 W23 205 0.00000 4238 1172 TIP3 H1 9.70327 -2.46944 -19.58299 W23 205 0.00000 4239 1172 TIP3 H2 9.08453 -3.73981 -20.12629 W23 205 0.00000 4240 1173 TIP3 OH2 12.81653 -0.70266 -19.89721 W23 206 0.00000 4241 1173 TIP3 H1 12.28287 0.08149 -20.02581 W23 206 0.00000 4242 1173 TIP3 H2 12.71167 -1.19999 -20.70831 W23 206 0.00000 4243 1174 TIP3 OH2 -0.63679 14.35965 -18.04083 W23 207 0.00000 4244 1174 TIP3 H1 -0.63577 15.00757 -18.74541 W23 207 0.00000 4245 1174 TIP3 H2 -1.13071 14.77477 -17.33378 W23 207 0.00000 4246 1175 TIP3 OH2 6.98393 5.98834 -26.90728 W23 208 0.00000 4247 1175 TIP3 H1 7.87305 5.75636 -27.17537 W23 208 0.00000 4248 1175 TIP3 H2 6.85896 5.53568 -26.07319 W23 208 0.00000 4249 1176 TIP3 OH2 8.59886 2.87041 -22.54215 W23 209 0.00000 4250 1176 TIP3 H1 8.47793 1.92467 -22.62690 W23 209 0.00000 4251 1176 TIP3 H2 7.97394 3.13264 -21.86619 W23 209 0.00000 4252 1177 TIP3 OH2 5.93787 13.27945 -11.85906 W23 210 0.00000 4253 1177 TIP3 H1 6.51175 13.35405 -11.09662 W23 210 0.00000 4254 1177 TIP3 H2 6.46240 13.61150 -12.58765 W23 210 0.00000 4255 1178 TIP3 OH2 8.77009 8.96574 -6.78470 W23 211 0.00000 4256 1178 TIP3 H1 9.26652 8.90867 -7.60110 W23 211 0.00000 4257 1178 TIP3 H2 8.88023 9.87288 -6.49976 W23 211 0.00000 4258 1179 TIP3 OH2 -3.29018 -4.74609 -23.10956 W23 212 0.00000 4259 1179 TIP3 H1 -3.57404 -5.42951 -23.71669 W23 212 0.00000 4260 1179 TIP3 H2 -2.88230 -5.22204 -22.38615 W23 212 0.00000 4261 1180 TIP3 OH2 -2.78208 -6.86063 -21.71531 W23 213 0.00000 4262 1180 TIP3 H1 -1.96874 -7.21963 -21.36061 W23 213 0.00000 4263 1180 TIP3 H2 -3.10192 -7.53618 -22.31329 W23 213 0.00000 4264 1181 TIP3 OH2 2.25179 16.35019 -17.20696 W23 214 0.00000 4265 1181 TIP3 H1 1.39579 16.04802 -16.90336 W23 214 0.00000 4266 1181 TIP3 H2 2.84649 15.62755 -17.00609 W23 214 0.00000 4267 1182 TIP3 OH2 2.93304 -10.23421 -16.48538 W23 215 0.00000 4268 1182 TIP3 H1 2.55699 -11.11291 -16.43359 W23 215 0.00000 4269 1182 TIP3 H2 3.75276 -10.29468 -15.99484 W23 215 0.00000 4270 1183 TIP3 OH2 -6.28864 -8.22297 -8.16885 W24 1 0.00000 4271 1183 TIP3 H1 -6.45565 -7.53527 -7.52433 W24 1 0.00000 4272 1183 TIP3 H2 -6.18364 -7.75509 -8.99727 W24 1 0.00000 4273 1184 TIP3 OH2 -9.03079 -10.64318 -8.23711 W24 2 0.00000 4274 1184 TIP3 H1 -9.31081 -11.53132 -8.45854 W24 2 0.00000 4275 1184 TIP3 H2 -8.57609 -10.33269 -9.02010 W24 2 0.00000 4276 1185 TIP3 OH2 -15.05186 -9.41854 -13.05098 W24 3 0.00000 4277 1185 TIP3 H1 -15.29799 -10.33155 -13.19954 W24 3 0.00000 4278 1185 TIP3 H2 -14.91266 -9.35825 -12.10588 W24 3 0.00000 4279 1186 TIP3 OH2 -6.40746 -8.78683 -4.37323 W24 4 0.00000 4280 1186 TIP3 H1 -6.76152 -9.42056 -4.99713 W24 4 0.00000 4281 1186 TIP3 H2 -7.07624 -8.72186 -3.69152 W24 4 0.00000 4282 1187 TIP3 OH2 -14.94289 -5.78299 -9.95721 W24 5 0.00000 4283 1187 TIP3 H1 -14.67551 -5.94808 -10.86135 W24 5 0.00000 4284 1187 TIP3 H2 -14.29020 -6.23992 -9.42669 W24 5 0.00000 4285 1188 TIP3 OH2 -12.01820 -5.80809 -17.97938 W24 6 0.00000 4286 1188 TIP3 H1 -12.58636 -5.08272 -17.72002 W24 6 0.00000 4287 1188 TIP3 H2 -11.85526 -5.66385 -18.91151 W24 6 0.00000 4288 1189 TIP3 OH2 -13.68231 -6.02085 -15.35573 W24 7 0.00000 4289 1189 TIP3 H1 -13.63500 -6.95673 -15.55096 W24 7 0.00000 4290 1189 TIP3 H2 -12.81820 -5.80483 -15.00519 W24 7 0.00000 4291 1190 TIP3 OH2 -10.17585 -4.56260 -2.82541 W24 8 0.00000 4292 1190 TIP3 H1 -9.35519 -5.03811 -2.95436 W24 8 0.00000 4293 1190 TIP3 H2 -10.84771 -5.24412 -2.80670 W24 8 0.00000 4294 1191 TIP3 OH2 -11.18595 -8.75564 -7.55403 W24 9 0.00000 4295 1191 TIP3 H1 -10.35841 -8.91775 -8.00694 W24 9 0.00000 4296 1191 TIP3 H2 -11.15650 -9.32872 -6.78791 W24 9 0.00000 4297 1192 TIP3 OH2 -3.18488 -17.81602 -7.09081 W24 10 0.00000 4298 1192 TIP3 H1 -3.84605 -17.91629 -6.40595 W24 10 0.00000 4299 1192 TIP3 H2 -2.57298 -17.16854 -6.74071 W24 10 0.00000 4300 1193 TIP3 OH2 -7.44188 -13.75803 -9.08824 W24 11 0.00000 4301 1193 TIP3 H1 -7.04483 -14.44987 -9.61733 W24 11 0.00000 4302 1193 TIP3 H2 -6.96260 -12.96567 -9.33049 W24 11 0.00000 4303 1194 TIP3 OH2 -9.55420 -10.92354 -15.82644 W24 12 0.00000 4304 1194 TIP3 H1 -9.53316 -10.08576 -15.36392 W24 12 0.00000 4305 1194 TIP3 H2 -9.25263 -10.71691 -16.71108 W24 12 0.00000 4306 1195 TIP3 OH2 -3.38342 -12.34447 -11.12427 W24 13 0.00000 4307 1195 TIP3 H1 -3.25941 -13.19557 -10.70418 W24 13 0.00000 4308 1195 TIP3 H2 -2.80085 -11.75394 -10.64666 W24 13 0.00000 4309 1196 TIP3 OH2 -13.11438 -8.70729 -16.22790 W24 14 0.00000 4310 1196 TIP3 H1 -12.78334 -9.57974 -16.01468 W24 14 0.00000 4311 1196 TIP3 H2 -12.39586 -8.28680 -16.70028 W24 14 0.00000 4312 1197 TIP3 OH2 -9.67022 -8.86945 -12.01846 W24 15 0.00000 4313 1197 TIP3 H1 -9.42360 -9.76539 -11.78890 W24 15 0.00000 4314 1197 TIP3 H2 -9.57850 -8.83174 -12.97051 W24 15 0.00000 4315 1198 TIP3 OH2 -4.90720 -18.45188 -5.09923 W24 16 0.00000 4316 1198 TIP3 H1 -5.52203 -17.72010 -5.15133 W24 16 0.00000 4317 1198 TIP3 H2 -5.45552 -19.21287 -4.90822 W24 16 0.00000 4318 1199 TIP3 OH2 -12.70274 -13.96443 -15.98306 W24 17 0.00000 4319 1199 TIP3 H1 -12.51438 -13.02718 -16.03104 W24 17 0.00000 4320 1199 TIP3 H2 -13.65495 -14.02218 -16.06158 W24 17 0.00000 4321 1200 TIP3 OH2 -6.65272 -5.78328 -6.88902 W24 18 0.00000 4322 1200 TIP3 H1 -6.17458 -5.33242 -7.58496 W24 18 0.00000 4323 1200 TIP3 H2 -7.19626 -5.10293 -6.49163 W24 18 0.00000 4324 1201 TIP3 OH2 -13.74008 -9.89534 -9.05746 W24 19 0.00000 4325 1201 TIP3 H1 -14.50187 -9.31889 -9.11758 W24 19 0.00000 4326 1201 TIP3 H2 -13.23834 -9.55359 -8.31740 W24 19 0.00000 4327 1202 TIP3 OH2 -3.29156 -14.72552 -9.76089 W24 20 0.00000 4328 1202 TIP3 H1 -3.53488 -15.51930 -10.23727 W24 20 0.00000 4329 1202 TIP3 H2 -3.35379 -14.97103 -8.83781 W24 20 0.00000 4330 1203 TIP3 OH2 -12.23912 -11.20236 -15.67504 W24 21 0.00000 4331 1203 TIP3 H1 -12.28978 -11.23389 -14.71970 W24 21 0.00000 4332 1203 TIP3 H2 -11.30270 -11.25051 -15.86743 W24 21 0.00000 4333 1204 TIP3 OH2 -15.98132 -8.57971 -8.54725 W24 22 0.00000 4334 1204 TIP3 H1 -16.02589 -7.73969 -8.09054 W24 22 0.00000 4335 1204 TIP3 H2 -16.80585 -8.63424 -9.03038 W24 22 0.00000 4336 1205 TIP3 OH2 -12.31215 -1.36084 -14.42536 W24 23 0.00000 4337 1205 TIP3 H1 -11.97731 -0.52499 -14.75013 W24 23 0.00000 4338 1205 TIP3 H2 -12.86808 -1.12446 -13.68288 W24 23 0.00000 4339 1206 TIP3 OH2 -8.24459 -9.29666 -2.02336 W24 24 0.00000 4340 1206 TIP3 H1 -8.99960 -9.05165 -2.55829 W24 24 0.00000 4341 1206 TIP3 H2 -8.27085 -8.69348 -1.28060 W24 24 0.00000 4342 1207 TIP3 OH2 -5.08457 -18.15081 -9.15942 W24 25 0.00000 4343 1207 TIP3 H1 -5.75361 -17.47306 -9.25562 W24 25 0.00000 4344 1207 TIP3 H2 -4.41636 -17.75110 -8.60267 W24 25 0.00000 4345 1208 TIP3 OH2 -7.42192 -15.40457 -15.94424 W24 26 0.00000 4346 1208 TIP3 H1 -7.14806 -15.96153 -16.67295 W24 26 0.00000 4347 1208 TIP3 H2 -8.28486 -15.07991 -16.20146 W24 26 0.00000 4348 1209 TIP3 OH2 -7.75374 -5.27658 -3.12600 W24 27 0.00000 4349 1209 TIP3 H1 -6.91115 -5.56643 -3.47566 W24 27 0.00000 4350 1209 TIP3 H2 -7.53164 -4.57021 -2.51941 W24 27 0.00000 4351 1210 TIP3 OH2 -9.33647 -13.23746 -1.25520 W24 29 0.00000 4352 1210 TIP3 H1 -8.55327 -13.18564 -1.80305 W24 29 0.00000 4353 1210 TIP3 H2 -9.27840 -12.47408 -0.68066 W24 29 0.00000 4354 1211 TIP3 OH2 -5.59914 -15.00226 -3.11203 W24 32 0.00000 4355 1211 TIP3 H1 -6.32512 -14.38109 -3.05436 W24 32 0.00000 4356 1211 TIP3 H2 -4.81926 -14.47732 -2.93190 W24 32 0.00000 4357 1212 TIP3 OH2 -3.62415 -8.23217 -7.64741 W24 33 0.00000 4358 1212 TIP3 H1 -4.57025 -8.21800 -7.79208 W24 33 0.00000 4359 1212 TIP3 H2 -3.39126 -9.16023 -7.67350 W24 33 0.00000 4360 1213 TIP3 OH2 -9.12914 -15.46025 -5.91044 W24 34 0.00000 4361 1213 TIP3 H1 -9.71158 -15.35916 -5.15759 W24 34 0.00000 4362 1213 TIP3 H2 -9.16271 -14.61335 -6.35526 W24 34 0.00000 4363 1214 TIP3 OH2 -10.65911 -6.28188 -12.16925 W24 35 0.00000 4364 1214 TIP3 H1 -10.21035 -5.87330 -12.90945 W24 35 0.00000 4365 1214 TIP3 H2 -10.27453 -7.15631 -12.10844 W24 35 0.00000 4366 1215 TIP3 OH2 -12.67811 -6.23957 -8.07897 W24 36 0.00000 4367 1215 TIP3 H1 -12.04410 -6.08938 -8.78019 W24 36 0.00000 4368 1215 TIP3 H2 -12.39892 -7.06117 -7.67493 W24 36 0.00000 4369 1216 TIP3 OH2 -12.42660 -9.64736 -11.53468 W24 37 0.00000 4370 1216 TIP3 H1 -11.58165 -9.24624 -11.33119 W24 37 0.00000 4371 1216 TIP3 H2 -12.85241 -9.75456 -10.68414 W24 37 0.00000 4372 1217 TIP3 OH2 -10.54421 -8.57100 -3.41505 W24 38 0.00000 4373 1217 TIP3 H1 -11.35716 -8.48130 -2.91777 W24 38 0.00000 4374 1217 TIP3 H2 -10.68148 -9.34457 -3.96184 W24 38 0.00000 4375 1218 TIP3 OH2 -16.45110 -10.15266 -6.44272 W24 39 0.00000 4376 1218 TIP3 H1 -17.22292 -9.83091 -5.97690 W24 39 0.00000 4377 1218 TIP3 H2 -16.37619 -9.58086 -7.20670 W24 39 0.00000 4378 1219 TIP3 OH2 -16.72286 -11.14630 -11.28780 W24 41 0.00000 4379 1219 TIP3 H1 -17.35854 -11.20162 -10.57430 W24 41 0.00000 4380 1219 TIP3 H2 -17.12769 -10.55760 -11.92479 W24 41 0.00000 4381 1220 TIP3 OH2 -8.60586 -3.91218 -5.60955 W24 42 0.00000 4382 1220 TIP3 H1 -8.90684 -4.39129 -4.83748 W24 42 0.00000 4383 1220 TIP3 H2 -9.07193 -3.07702 -5.57050 W24 42 0.00000 4384 1221 TIP3 OH2 -18.82413 -8.69378 -5.98087 W24 43 0.00000 4385 1221 TIP3 H1 -18.14213 -8.15534 -6.38235 W24 43 0.00000 4386 1221 TIP3 H2 -19.56371 -8.63459 -6.58564 W24 43 0.00000 4387 1222 TIP3 OH2 -9.41493 -4.95854 -14.26636 W24 45 0.00000 4388 1222 TIP3 H1 -9.53832 -4.02189 -14.11245 W24 45 0.00000 4389 1222 TIP3 H2 -9.53622 -5.06473 -15.20989 W24 45 0.00000 4390 1223 TIP3 OH2 -18.68389 -7.95759 -12.35742 W24 47 0.00000 4391 1223 TIP3 H1 -18.46529 -7.26589 -12.98191 W24 47 0.00000 4392 1223 TIP3 H2 -18.58490 -8.76965 -12.85438 W24 47 0.00000 4393 1224 TIP3 OH2 -17.69984 -3.94343 -11.70897 W24 48 0.00000 4394 1224 TIP3 H1 -17.00834 -4.34229 -11.18082 W24 48 0.00000 4395 1224 TIP3 H2 -18.39426 -3.74120 -11.08199 W24 48 0.00000 4396 1225 TIP3 OH2 -9.57818 -13.35365 2.76103 W24 49 0.00000 4397 1225 TIP3 H1 -9.26783 -13.94917 2.07895 W24 49 0.00000 4398 1225 TIP3 H2 -10.48612 -13.16729 2.52200 W24 49 0.00000 4399 1226 TIP3 OH2 -14.70131 -9.88126 -3.91204 W24 50 0.00000 4400 1226 TIP3 H1 -15.23510 -9.67605 -3.14446 W24 50 0.00000 4401 1226 TIP3 H2 -15.33305 -9.97913 -4.62447 W24 50 0.00000 4402 1227 TIP3 OH2 -13.90100 -0.58784 -8.96370 W24 52 0.00000 4403 1227 TIP3 H1 -14.26942 -1.45626 -8.80143 W24 52 0.00000 4404 1227 TIP3 H2 -14.17936 -0.37151 -9.85361 W24 52 0.00000 4405 1228 TIP3 OH2 -8.96142 -18.39562 -4.64874 W24 55 0.00000 4406 1228 TIP3 H1 -8.91271 -17.45903 -4.84014 W24 55 0.00000 4407 1228 TIP3 H2 -8.42730 -18.80747 -5.32794 W24 55 0.00000 4408 1229 TIP3 OH2 -18.32122 -8.52043 -9.62793 W24 56 0.00000 4409 1229 TIP3 H1 -18.62971 -9.40649 -9.43828 W24 56 0.00000 4410 1229 TIP3 H2 -18.62693 -8.34523 -10.51791 W24 56 0.00000 4411 1230 TIP3 OH2 -10.06232 -14.41028 -16.90356 W24 57 0.00000 4412 1230 TIP3 H1 -10.33587 -13.90938 -17.67200 W24 57 0.00000 4413 1230 TIP3 H2 -10.64778 -14.11730 -16.20525 W24 57 0.00000 4414 1231 TIP3 OH2 -9.11094 -18.39964 -12.85544 W24 58 0.00000 4415 1231 TIP3 H1 -9.19435 -19.31865 -12.60108 W24 58 0.00000 4416 1231 TIP3 H2 -9.75155 -18.28588 -13.55752 W24 58 0.00000 4417 1232 TIP3 OH2 -8.71409 -17.57376 -7.84962 W24 59 0.00000 4418 1232 TIP3 H1 -9.54660 -18.01800 -8.01031 W24 59 0.00000 4419 1232 TIP3 H2 -8.95896 -16.75079 -7.42656 W24 59 0.00000 4420 1233 TIP3 OH2 -1.69062 -8.14871 -15.65770 W24 61 0.00000 4421 1233 TIP3 H1 -2.48123 -8.66664 -15.50634 W24 61 0.00000 4422 1233 TIP3 H2 -1.37041 -8.44317 -16.51033 W24 61 0.00000 4423 1234 TIP3 OH2 -12.38681 -11.86033 -13.16758 W24 62 0.00000 4424 1234 TIP3 H1 -13.27392 -12.14592 -13.38595 W24 62 0.00000 4425 1234 TIP3 H2 -12.51236 -11.09661 -12.60436 W24 62 0.00000 4426 1235 TIP3 OH2 -9.07053 -8.31995 -14.71829 W24 63 0.00000 4427 1235 TIP3 H1 -9.51313 -8.21023 -15.55990 W24 63 0.00000 4428 1235 TIP3 H2 -8.14067 -8.21766 -14.92102 W24 63 0.00000 4429 1236 TIP3 OH2 -4.73023 -9.09917 -11.14488 W24 64 0.00000 4430 1236 TIP3 H1 -5.08015 -8.22526 -10.97146 W24 64 0.00000 4431 1236 TIP3 H2 -3.79362 -9.02317 -10.96255 W24 64 0.00000 4432 1237 TIP3 OH2 -13.04605 -16.34151 -7.79699 W24 65 0.00000 4433 1237 TIP3 H1 -13.40004 -16.83772 -8.53504 W24 65 0.00000 4434 1237 TIP3 H2 -12.76673 -17.00934 -7.17072 W24 65 0.00000 4435 1238 TIP3 OH2 -5.75171 -11.67938 -9.90635 W24 66 0.00000 4436 1238 TIP3 H1 -5.60734 -10.73378 -9.87124 W24 66 0.00000 4437 1238 TIP3 H2 -5.06346 -12.00587 -10.48595 W24 66 0.00000 4438 1239 TIP3 OH2 -15.23836 -12.14158 -13.83158 W24 67 0.00000 4439 1239 TIP3 H1 -15.97626 -12.44126 -13.30061 W24 67 0.00000 4440 1239 TIP3 H2 -15.35356 -12.58265 -14.67325 W24 67 0.00000 4441 1240 TIP3 OH2 -3.31834 -6.21307 -17.73873 W24 68 0.00000 4442 1240 TIP3 H1 -3.94379 -6.85258 -18.07943 W24 68 0.00000 4443 1240 TIP3 H2 -3.57947 -5.38444 -18.14048 W24 68 0.00000 4444 1241 TIP3 OH2 -12.43868 -8.83380 -20.06525 W24 69 0.00000 4445 1241 TIP3 H1 -12.48816 -9.54284 -19.42413 W24 69 0.00000 4446 1241 TIP3 H2 -11.51041 -8.78009 -20.29252 W24 69 0.00000 4447 1242 TIP3 OH2 -8.78729 -5.71042 -20.24362 W24 70 0.00000 4448 1242 TIP3 H1 -8.27824 -5.08455 -19.72849 W24 70 0.00000 4449 1242 TIP3 H2 -9.67364 -5.34912 -20.25267 W24 70 0.00000 4450 1243 TIP3 OH2 -9.90263 -13.45609 -7.74790 W24 71 0.00000 4451 1243 TIP3 H1 -9.04800 -13.55597 -8.16725 W24 71 0.00000 4452 1243 TIP3 H2 -10.45825 -14.10642 -8.17756 W24 71 0.00000 4453 1244 TIP3 OH2 -7.21637 -11.61957 -14.34997 W24 72 0.00000 4454 1244 TIP3 H1 -8.03492 -11.47055 -14.82324 W24 72 0.00000 4455 1244 TIP3 H2 -7.39984 -12.36878 -13.78317 W24 72 0.00000 4456 1245 TIP3 OH2 -10.42486 -8.02777 -17.10307 W24 73 0.00000 4457 1245 TIP3 H1 -10.82415 -7.43831 -17.74285 W24 73 0.00000 4458 1245 TIP3 H2 -9.71583 -8.45693 -17.58195 W24 73 0.00000 4459 1246 TIP3 OH2 -6.42713 -7.68296 -15.44862 W24 74 0.00000 4460 1246 TIP3 H1 -5.96797 -8.02635 -14.68215 W24 74 0.00000 4461 1246 TIP3 H2 -6.36057 -6.73200 -15.36216 W24 74 0.00000 4462 1247 TIP3 OH2 -6.20057 -15.77433 -10.83536 W24 75 0.00000 4463 1247 TIP3 H1 -7.13822 -15.90383 -10.97773 W24 75 0.00000 4464 1247 TIP3 H2 -5.93241 -15.17571 -11.53248 W24 75 0.00000 4465 1248 TIP3 OH2 -6.08693 -4.82256 -16.34759 W24 76 0.00000 4466 1248 TIP3 H1 -5.86123 -4.43399 -17.19275 W24 76 0.00000 4467 1248 TIP3 H2 -5.31037 -4.68502 -15.80515 W24 76 0.00000 4468 1249 TIP3 OH2 -13.41725 -10.60698 3.89626 W24 77 0.00000 4469 1249 TIP3 H1 -12.86909 -9.83450 4.03414 W24 77 0.00000 4470 1249 TIP3 H2 -13.49964 -11.00092 4.76473 W24 77 0.00000 4471 1250 TIP3 OH2 -18.91535 -11.22893 -9.51966 W24 78 0.00000 4472 1250 TIP3 H1 -18.88635 -11.67758 -8.67462 W24 78 0.00000 4473 1250 TIP3 H2 -19.84731 -11.17622 -9.73154 W24 78 0.00000 4474 1251 TIP3 OH2 -8.52346 -11.45933 -10.98280 W24 79 0.00000 4475 1251 TIP3 H1 -7.60043 -11.64698 -11.15315 W24 79 0.00000 4476 1251 TIP3 H2 -8.97381 -12.28383 -11.16620 W24 79 0.00000 4477 1252 TIP3 OH2 -8.18001 -9.98124 -18.08426 W24 80 0.00000 4478 1252 TIP3 H1 -8.06691 -10.45356 -18.90909 W24 80 0.00000 4479 1252 TIP3 H2 -7.29109 -9.87199 -17.74644 W24 80 0.00000 4480 1253 TIP3 OH2 -10.51130 -13.68515 -12.16799 W24 81 0.00000 4481 1253 TIP3 H1 -11.29309 -13.17752 -12.38559 W24 81 0.00000 4482 1253 TIP3 H2 -10.75521 -14.17727 -11.38406 W24 81 0.00000 4483 1254 TIP3 OH2 -7.47799 -13.00040 -3.31769 W24 83 0.00000 4484 1254 TIP3 H1 -6.83976 -12.54742 -2.76661 W24 83 0.00000 4485 1254 TIP3 H2 -7.76089 -12.33975 -3.94994 W24 83 0.00000 4486 1255 TIP3 OH2 -13.21572 -12.05594 -5.55376 W24 85 0.00000 4487 1255 TIP3 H1 -13.85670 -12.73329 -5.76954 W24 85 0.00000 4488 1255 TIP3 H2 -13.70769 -11.41456 -5.04108 W24 85 0.00000 4489 1256 TIP3 OH2 -13.53745 -6.87262 -12.23194 W24 87 0.00000 4490 1256 TIP3 H1 -12.63926 -6.72158 -11.93753 W24 87 0.00000 4491 1256 TIP3 H2 -13.53214 -7.76859 -12.56874 W24 87 0.00000 4492 1257 TIP3 OH2 -18.56227 -10.44472 -13.48122 W24 89 0.00000 4493 1257 TIP3 H1 -18.82885 -11.35220 -13.33409 W24 89 0.00000 4494 1257 TIP3 H2 -18.47762 -10.37058 -14.43179 W24 89 0.00000 4495 1258 TIP3 OH2 -15.19892 -14.58087 -8.38791 W24 90 0.00000 4496 1258 TIP3 H1 -14.74424 -13.99597 -8.99402 W24 90 0.00000 4497 1258 TIP3 H2 -14.49751 -15.03095 -7.91708 W24 90 0.00000 4498 1259 TIP3 OH2 -12.50300 -11.13203 -2.42899 W24 91 0.00000 4499 1259 TIP3 H1 -12.98606 -10.53126 -2.99640 W24 91 0.00000 4500 1259 TIP3 H2 -13.18049 -11.58470 -1.92667 W24 91 0.00000 4501 1260 TIP3 OH2 -8.85790 -15.13650 0.46548 W24 93 0.00000 4502 1260 TIP3 H1 -9.25989 -14.44896 -0.06549 W24 93 0.00000 4503 1260 TIP3 H2 -7.95659 -14.84221 0.59682 W24 93 0.00000 4504 1261 TIP3 OH2 -7.56043 -11.53757 -5.79398 W24 95 0.00000 4505 1261 TIP3 H1 -8.08399 -11.36463 -6.57642 W24 95 0.00000 4506 1261 TIP3 H2 -6.78061 -11.98588 -6.12130 W24 95 0.00000 4507 1262 TIP3 OH2 -11.39619 -3.58848 -9.16871 W24 96 0.00000 4508 1262 TIP3 H1 -11.16911 -3.11518 -8.36831 W24 96 0.00000 4509 1262 TIP3 H2 -11.85687 -2.94409 -9.70607 W24 96 0.00000 4510 1263 TIP3 OH2 -8.90531 -1.98996 -17.22818 W24 97 0.00000 4511 1263 TIP3 H1 -8.95655 -2.03047 -16.27322 W24 97 0.00000 4512 1263 TIP3 H2 -9.76623 -1.67316 -17.50147 W24 97 0.00000 4513 1264 TIP3 OH2 -9.38332 -5.33985 -9.91642 W24 98 0.00000 4514 1264 TIP3 H1 -9.88016 -4.67025 -9.44629 W24 98 0.00000 4515 1264 TIP3 H2 -9.98839 -5.66315 -10.58397 W24 98 0.00000 4516 1265 TIP3 OH2 -14.63341 -6.95524 -4.70204 W24 99 0.00000 4517 1265 TIP3 H1 -14.52091 -6.35065 -3.96854 W24 99 0.00000 4518 1265 TIP3 H2 -14.67554 -7.82073 -4.29538 W24 99 0.00000 4519 1266 TIP3 OH2 -10.77076 -10.53760 -5.03976 W24 101 0.00000 4520 1266 TIP3 H1 -11.52966 -11.09846 -5.20009 W24 101 0.00000 4521 1266 TIP3 H2 -10.01578 -11.10202 -5.20607 W24 101 0.00000 4522 1267 TIP3 OH2 -12.16211 -10.03542 0.59032 W24 103 0.00000 4523 1267 TIP3 H1 -12.04775 -9.87509 -0.34640 W24 103 0.00000 4524 1267 TIP3 H2 -11.77935 -9.26705 1.01380 W24 103 0.00000 4525 1268 TIP3 OH2 -15.42949 -14.19262 -16.03703 W24 105 0.00000 4526 1268 TIP3 H1 -16.09245 -13.62427 -16.42905 W24 105 0.00000 4527 1268 TIP3 H2 -15.48889 -15.00869 -16.53374 W24 105 0.00000 4528 1269 TIP3 OH2 -18.55346 -5.16335 -8.92162 W24 107 0.00000 4529 1269 TIP3 H1 -18.07750 -5.83618 -9.40845 W24 107 0.00000 4530 1269 TIP3 H2 -19.06958 -5.65132 -8.27996 W24 107 0.00000 4531 1270 TIP3 OH2 -9.59445 -2.18176 -14.51238 W24 110 0.00000 4532 1270 TIP3 H1 -10.54723 -2.09622 -14.54594 W24 110 0.00000 4533 1270 TIP3 H2 -9.33586 -1.68300 -13.73740 W24 110 0.00000 4534 1271 TIP3 OH2 -8.78018 -16.53662 -10.75683 W24 111 0.00000 4535 1271 TIP3 H1 -8.77225 -17.15361 -10.02506 W24 111 0.00000 4536 1271 TIP3 H2 -8.84878 -17.08886 -11.53564 W24 111 0.00000 4537 1272 TIP3 OH2 -2.20606 -11.09482 -13.43331 W24 112 0.00000 4538 1272 TIP3 H1 -1.68104 -10.31809 -13.24021 W24 112 0.00000 4539 1272 TIP3 H2 -2.41192 -11.46482 -12.57485 W24 112 0.00000 4540 1273 TIP3 OH2 -5.20525 -9.56612 -13.86978 W24 114 0.00000 4541 1273 TIP3 H1 -4.86263 -9.53144 -12.97667 W24 114 0.00000 4542 1273 TIP3 H2 -5.92935 -10.19055 -13.82495 W24 114 0.00000 4543 1274 TIP3 OH2 -11.30002 -15.21026 -9.79362 W24 115 0.00000 4544 1274 TIP3 H1 -11.91654 -15.37227 -9.07956 W24 115 0.00000 4545 1274 TIP3 H2 -10.71022 -15.96398 -9.77710 W24 115 0.00000 4546 1275 TIP3 OH2 -4.26864 -12.43188 -14.91376 W24 116 0.00000 4547 1275 TIP3 H1 -5.13505 -12.33458 -14.51868 W24 116 0.00000 4548 1275 TIP3 H2 -3.67541 -11.99677 -14.30141 W24 116 0.00000 4549 1276 TIP3 OH2 -5.30932 -8.06732 -18.20425 W24 118 0.00000 4550 1276 TIP3 H1 -5.89220 -7.67837 -17.55218 W24 118 0.00000 4551 1276 TIP3 H2 -4.78198 -8.69534 -17.71056 W24 118 0.00000 4552 1277 TIP3 OH2 -7.02262 -19.23041 -6.77422 W24 119 0.00000 4553 1277 TIP3 H1 -7.66254 -18.69174 -7.23960 W24 119 0.00000 4554 1277 TIP3 H2 -6.20028 -18.74667 -6.85145 W24 119 0.00000 4555 1278 TIP3 OH2 -5.26841 -12.32820 -7.17418 W24 120 0.00000 4556 1278 TIP3 H1 -5.44279 -12.12000 -8.09204 W24 120 0.00000 4557 1278 TIP3 H2 -5.06883 -13.26436 -7.17418 W24 120 0.00000 4558 1279 TIP3 OH2 -9.31967 0.09102 -12.72693 W24 121 0.00000 4559 1279 TIP3 H1 -9.34223 0.17579 -11.77377 W24 121 0.00000 4560 1279 TIP3 H2 -8.38943 0.12891 -12.94928 W24 121 0.00000 4561 1280 TIP3 OH2 -7.40779 -3.64872 -19.03481 W24 122 0.00000 4562 1280 TIP3 H1 -7.86985 -3.12673 -18.37886 W24 122 0.00000 4563 1280 TIP3 H2 -7.74121 -3.32997 -19.87353 W24 122 0.00000 4564 1281 TIP3 OH2 -8.71108 -7.60108 0.26175 W24 123 0.00000 4565 1281 TIP3 H1 -8.60289 -6.65888 0.39131 W24 123 0.00000 4566 1281 TIP3 H2 -8.24867 -7.99938 0.99915 W24 123 0.00000 4567 1282 TIP3 OH2 -10.91161 -13.17908 -19.08387 W24 124 0.00000 4568 1282 TIP3 H1 -10.46571 -12.44491 -19.50622 W24 124 0.00000 4569 1282 TIP3 H2 -11.14718 -13.76344 -19.80448 W24 124 0.00000 4570 1283 TIP3 OH2 -13.71201 -0.96910 -11.78298 W24 125 0.00000 4571 1283 TIP3 H1 -14.44229 -0.39497 -12.01385 W24 125 0.00000 4572 1283 TIP3 H2 -13.11892 -0.41208 -11.27882 W24 125 0.00000 4573 1284 TIP3 OH2 -22.61043 -6.54352 -6.73923 W24 126 0.00000 4574 1284 TIP3 H1 -22.68469 -7.37460 -6.27017 W24 126 0.00000 4575 1284 TIP3 H2 -22.53626 -6.79355 -7.66021 W24 126 0.00000 4576 1285 TIP3 OH2 -20.26562 -9.87661 -3.85456 W24 127 0.00000 4577 1285 TIP3 H1 -19.82812 -10.66575 -3.53506 W24 127 0.00000 4578 1285 TIP3 H2 -19.58462 -9.40025 -4.32946 W24 127 0.00000 4579 1286 TIP3 OH2 -14.49385 -12.30160 -0.97353 W24 129 0.00000 4580 1286 TIP3 H1 -14.60434 -12.91774 -1.69768 W24 129 0.00000 4581 1286 TIP3 H2 -14.46179 -12.85319 -0.19190 W24 129 0.00000 4582 1287 TIP3 OH2 -21.24555 -11.27518 -10.60951 W24 131 0.00000 4583 1287 TIP3 H1 -20.65799 -11.73360 -11.21021 W24 131 0.00000 4584 1287 TIP3 H2 -21.53061 -10.50177 -11.09613 W24 131 0.00000 4585 1288 TIP3 OH2 -16.42017 -13.13560 -6.38168 W24 133 0.00000 4586 1288 TIP3 H1 -16.15802 -12.27402 -6.70598 W24 133 0.00000 4587 1288 TIP3 H2 -15.94695 -13.75522 -6.93698 W24 133 0.00000 4588 1289 TIP3 OH2 -10.82455 -13.35877 -3.48710 W24 135 0.00000 4589 1289 TIP3 H1 -10.44396 -13.13529 -2.63774 W24 135 0.00000 4590 1289 TIP3 H2 -11.56563 -12.76056 -3.58290 W24 135 0.00000 4591 1290 TIP3 OH2 -19.37051 -13.03246 -12.11421 W24 136 0.00000 4592 1290 TIP3 H1 -18.73203 -13.65944 -12.45401 W24 136 0.00000 4593 1290 TIP3 H2 -20.16274 -13.55032 -11.97128 W24 136 0.00000 4594 1291 TIP3 OH2 -6.64928 -3.85347 -13.25879 W24 137 0.00000 4595 1291 TIP3 H1 -7.25166 -4.48022 -13.65949 W24 137 0.00000 4596 1291 TIP3 H2 -5.83258 -3.96010 -13.74650 W24 137 0.00000 4597 1292 TIP3 OH2 -14.65821 -13.25862 -11.01905 W24 138 0.00000 4598 1292 TIP3 H1 -15.48234 -12.78970 -10.88805 W24 138 0.00000 4599 1292 TIP3 H2 -13.98034 -12.60348 -10.85317 W24 138 0.00000 4600 1293 TIP3 OH2 -4.19119 -4.22324 -14.29520 W24 139 0.00000 4601 1293 TIP3 H1 -3.64179 -3.64822 -14.82785 W24 139 0.00000 4602 1293 TIP3 H2 -3.62364 -4.49787 -13.57499 W24 139 0.00000 4603 1294 TIP3 OH2 -14.32049 -15.46919 -4.93232 W24 140 0.00000 4604 1294 TIP3 H1 -13.69478 -15.71269 -4.25010 W24 140 0.00000 4605 1294 TIP3 H2 -14.60324 -16.30322 -5.30740 W24 140 0.00000 4606 1295 TIP3 OH2 -14.27186 -15.85656 -12.19531 W24 142 0.00000 4607 1295 TIP3 H1 -13.52749 -15.99115 -12.78184 W24 142 0.00000 4608 1295 TIP3 H2 -14.15691 -14.96668 -11.86197 W24 142 0.00000 4609 1296 TIP3 OH2 -11.78184 -15.40953 -13.84297 W24 143 0.00000 4610 1296 TIP3 H1 -11.14051 -14.85228 -13.40204 W24 143 0.00000 4611 1296 TIP3 H2 -12.03213 -14.91580 -14.62387 W24 143 0.00000 4612 1297 TIP3 OH2 -12.70016 -12.47007 -9.08215 W24 144 0.00000 4613 1297 TIP3 H1 -11.76561 -12.44225 -8.87707 W24 144 0.00000 4614 1297 TIP3 H2 -13.02653 -11.60561 -8.83231 W24 144 0.00000 4615 1298 TIP3 OH2 -12.38050 -18.75085 -5.91878 W24 145 0.00000 4616 1298 TIP3 H1 -11.86769 -19.36123 -6.44858 W24 145 0.00000 4617 1298 TIP3 H2 -11.94342 -18.74645 -5.06721 W24 145 0.00000 4618 1299 TIP3 OH2 -11.15037 -16.04892 -3.82286 W24 146 0.00000 4619 1299 TIP3 H1 -11.18944 -15.09703 -3.73009 W24 146 0.00000 4620 1299 TIP3 H2 -10.39726 -16.31094 -3.29333 W24 146 0.00000 4621 1300 TIP3 OH2 -16.95993 -15.82491 -11.77347 W24 147 0.00000 4622 1300 TIP3 H1 -17.15367 -15.78407 -12.70997 W24 147 0.00000 4623 1300 TIP3 H2 -16.00443 -15.85827 -11.72730 W24 147 0.00000 4624 1301 TIP3 OH2 -10.68457 -17.66124 -14.85777 W24 148 0.00000 4625 1301 TIP3 H1 -10.99511 -16.92742 -14.32737 W24 148 0.00000 4626 1301 TIP3 H2 -10.73818 -17.34509 -15.75965 W24 148 0.00000 4627 1302 TIP3 OH2 -13.65827 -17.57745 -9.94609 W24 149 0.00000 4628 1302 TIP3 H1 -14.34313 -18.24618 -9.94879 W24 149 0.00000 4629 1302 TIP3 H2 -13.77169 -17.11444 -10.77614 W24 149 0.00000 4630 1303 TIP3 OH2 -10.94052 -18.44801 -9.02564 W24 150 0.00000 4631 1303 TIP3 H1 -11.67103 -18.19909 -9.59185 W24 150 0.00000 4632 1303 TIP3 H2 -10.95952 -19.40497 -9.01611 W24 150 0.00000 4633 1304 TIP3 OH2 -10.73258 -21.24011 -8.17840 W24 151 0.00000 4634 1304 TIP3 H1 -10.47583 -21.83881 -8.87973 W24 151 0.00000 4635 1304 TIP3 H2 -11.61030 -21.52746 -7.92689 W24 151 0.00000 4636 1305 TIP3 OH2 -17.28286 -16.40774 -14.47155 W24 152 0.00000 4637 1305 TIP3 H1 -16.49940 -16.54241 -15.00473 W24 152 0.00000 4638 1305 TIP3 H2 -17.77397 -17.22500 -14.55594 W24 152 0.00000 4639 1306 TIP3 OH2 -12.08213 -19.98687 -14.29031 W24 153 0.00000 4640 1306 TIP3 H1 -11.38492 -20.64128 -14.24697 W24 153 0.00000 4641 1306 TIP3 H2 -11.62925 -19.16620 -14.48429 W24 153 0.00000 4642 1307 TIP3 OH2 -13.77633 -20.35198 -12.24804 W24 154 0.00000 4643 1307 TIP3 H1 -13.15888 -20.07837 -12.92636 W24 154 0.00000 4644 1307 TIP3 H2 -14.38710 -19.61913 -12.16974 W24 154 0.00000 4645 1308 TIP3 OH2 -10.64578 1.18326 -14.93887 W24 156 0.00000 4646 1308 TIP3 H1 -10.24506 0.74895 -14.18587 W24 156 0.00000 4647 1308 TIP3 H2 -9.96760 1.16709 -15.61417 W24 156 0.00000 4648 1309 TIP3 OH2 -16.72896 1.84387 -10.55181 W24 157 0.00000 4649 1309 TIP3 H1 -16.65129 2.10700 -11.46885 W24 157 0.00000 4650 1309 TIP3 H2 -16.65717 0.88953 -10.56907 W24 157 0.00000 4651 1310 TIP3 OH2 -16.71232 -0.92871 -10.64985 W24 158 0.00000 4652 1310 TIP3 H1 -16.75646 -1.51880 -11.40224 W24 158 0.00000 4653 1310 TIP3 H2 -17.25570 -1.34883 -9.98317 W24 158 0.00000 4654 1311 TIP3 OH2 -7.27020 -8.22543 2.58239 W24 159 0.00000 4655 1311 TIP3 H1 -7.97199 -8.72105 3.00438 W24 159 0.00000 4656 1311 TIP3 H2 -6.77201 -7.84946 3.30812 W24 159 0.00000 4657 1312 TIP3 OH2 -9.36498 -10.31639 2.97663 W24 160 0.00000 4658 1312 TIP3 H1 -9.19703 -10.39690 2.03773 W24 160 0.00000 4659 1312 TIP3 H2 -9.31956 -11.21385 3.30638 W24 160 0.00000 4660 1313 TIP3 OH2 -12.08646 -15.69879 0.68299 W24 161 0.00000 4661 1313 TIP3 H1 -12.89153 -15.74300 0.16712 W24 161 0.00000 4662 1313 TIP3 H2 -12.38582 -15.61641 1.58843 W24 161 0.00000 4663 1314 TIP3 OH2 -5.67203 -11.64415 -1.52214 W24 164 0.00000 4664 1314 TIP3 H1 -4.80332 -11.98686 -1.31207 W24 164 0.00000 4665 1314 TIP3 H2 -5.83232 -10.97335 -0.85840 W24 164 0.00000 4666 1315 TIP3 OH2 -9.17835 -10.75895 0.15613 W24 165 0.00000 4667 1315 TIP3 H1 -10.13539 -10.74337 0.14976 W24 165 0.00000 4668 1315 TIP3 H2 -8.92723 -10.43046 -0.70715 W24 165 0.00000 4669 1316 TIP3 OH2 -15.98520 -7.20600 -14.39570 W24 169 0.00000 4670 1316 TIP3 H1 -15.21126 -6.69818 -14.63930 W24 169 0.00000 4671 1316 TIP3 H2 -15.66000 -7.85439 -13.77116 W24 169 0.00000 4672 1317 TIP3 OH2 -9.15417 -16.30391 -2.04411 W24 170 0.00000 4673 1317 TIP3 H1 -8.64857 -17.11581 -2.08156 W24 170 0.00000 4674 1317 TIP3 H2 -9.06661 -16.00825 -1.13794 W24 170 0.00000 4675 1318 TIP3 OH2 -7.91358 -18.65745 -2.21640 W24 171 0.00000 4676 1318 TIP3 H1 -8.25252 -18.51185 -3.09966 W24 171 0.00000 4677 1318 TIP3 H2 -7.21488 -19.30164 -2.33064 W24 171 0.00000 4678 1319 TIP3 OH2 -4.41453 -14.83630 -6.85091 W24 174 0.00000 4679 1319 TIP3 H1 -3.84039 -14.98297 -6.09918 W24 174 0.00000 4680 1319 TIP3 H2 -5.21997 -15.30528 -6.63284 W24 174 0.00000 4681 1320 TIP3 OH2 -6.49121 -16.20564 -5.41512 W24 175 0.00000 4682 1320 TIP3 H1 -7.38645 -15.98997 -5.67634 W24 175 0.00000 4683 1320 TIP3 H2 -6.32972 -15.66439 -4.64233 W24 175 0.00000 4684 1321 TIP3 OH2 -18.77097 -14.31875 -15.77009 W24 176 0.00000 4685 1321 TIP3 H1 -18.27479 -14.86423 -15.15977 W24 176 0.00000 4686 1321 TIP3 H2 -19.08023 -14.92849 -16.44003 W24 176 0.00000 4687 1322 TIP3 OH2 -6.53144 -24.54901 -6.12183 W24 177 0.00000 4688 1322 TIP3 H1 -5.67674 -24.69766 -6.52631 W24 177 0.00000 4689 1322 TIP3 H2 -6.41945 -23.74656 -5.61217 W24 177 0.00000 4690 1323 TIP3 OH2 -12.65505 -11.11192 -18.45072 W24 179 0.00000 4691 1323 TIP3 H1 -12.29567 -11.98945 -18.58112 W24 179 0.00000 4692 1323 TIP3 H2 -12.87006 -11.07671 -17.51865 W24 179 0.00000 4693 1324 TIP3 OH2 -15.49814 -9.25974 -17.22549 W24 180 0.00000 4694 1324 TIP3 H1 -14.56930 -9.04383 -17.30840 W24 180 0.00000 4695 1324 TIP3 H2 -15.72416 -9.00751 -16.33022 W24 180 0.00000 4696 1325 TIP3 OH2 -6.45420 -21.88203 -5.58600 W24 181 0.00000 4697 1325 TIP3 H1 -7.13229 -21.37198 -6.02903 W24 181 0.00000 4698 1325 TIP3 H2 -5.67117 -21.75710 -6.12216 W24 181 0.00000 4699 1326 TIP3 OH2 3.82109 -11.71995 -10.72595 W24 182 0.00000 4700 1326 TIP3 H1 4.65321 -12.02152 -11.09046 W24 182 0.00000 4701 1326 TIP3 H2 4.01342 -11.53981 -9.80573 W24 182 0.00000 4702 1327 TIP3 OH2 -10.07784 -7.89518 -21.49304 W24 183 0.00000 4703 1327 TIP3 H1 -10.67786 -7.36138 -22.01385 W24 183 0.00000 4704 1327 TIP3 H2 -9.47669 -7.26394 -21.09758 W24 183 0.00000 4705 1328 TIP3 OH2 -6.52256 -4.12645 -1.00785 W24 184 0.00000 4706 1328 TIP3 H1 -5.56638 -4.17035 -1.00755 W24 184 0.00000 4707 1328 TIP3 H2 -6.77573 -4.40168 -0.12673 W24 184 0.00000 4708 1329 TIP3 OH2 -15.24428 -14.28726 -19.57733 W24 185 0.00000 4709 1329 TIP3 H1 -16.03432 -14.65832 -19.97025 W24 185 0.00000 4710 1329 TIP3 H2 -15.36207 -13.34014 -19.65028 W24 185 0.00000 4711 1330 TIP3 OH2 -20.93785 -8.99735 -7.95091 W24 186 0.00000 4712 1330 TIP3 H1 -21.23621 -8.30031 -8.53515 W24 186 0.00000 4713 1330 TIP3 H2 -21.69511 -9.57592 -7.86126 W24 186 0.00000 4714 1331 TIP3 OH2 -16.79862 -6.83829 -6.57916 W24 187 0.00000 4715 1331 TIP3 H1 -17.16347 -5.96840 -6.41670 W24 187 0.00000 4716 1331 TIP3 H2 -16.02289 -6.88143 -6.02004 W24 187 0.00000 4717 1332 TIP3 OH2 -16.36378 -9.31559 -1.78595 W24 188 0.00000 4718 1332 TIP3 H1 -16.71483 -10.18478 -1.59236 W24 188 0.00000 4719 1332 TIP3 H2 -15.68804 -9.17644 -1.12243 W24 188 0.00000 4720 1333 TIP3 OH2 -14.72514 -8.73610 0.38272 W24 189 0.00000 4721 1333 TIP3 H1 -13.90290 -9.22352 0.33211 W24 189 0.00000 4722 1333 TIP3 H2 -15.18245 -9.11424 1.13379 W24 189 0.00000 4723 1334 TIP3 OH2 -5.02974 -21.36853 -8.25283 W24 190 0.00000 4724 1334 TIP3 H1 -5.42149 -20.62260 -8.70708 W24 190 0.00000 4725 1334 TIP3 H2 -4.26573 -21.59752 -8.78206 W24 190 0.00000 4726 1335 TIP3 OH2 -19.64799 -3.83294 -6.12461 W24 191 0.00000 4727 1335 TIP3 H1 -19.97411 -2.99860 -6.46186 W24 191 0.00000 4728 1335 TIP3 H2 -20.37382 -4.44370 -6.25257 W24 191 0.00000 4729 1336 TIP3 OH2 -17.22310 -4.27492 -5.06961 W24 192 0.00000 4730 1336 TIP3 H1 -18.09291 -4.20810 -5.46356 W24 192 0.00000 4731 1336 TIP3 H2 -16.91957 -3.36956 -5.00310 W24 192 0.00000 4732 1337 TIP3 OH2 -13.49575 -5.37024 -2.27877 W24 193 0.00000 4733 1337 TIP3 H1 -13.54037 -4.42929 -2.44858 W24 193 0.00000 4734 1337 TIP3 H2 -14.07175 -5.50590 -1.52640 W24 193 0.00000 4735 1338 TIP3 OH2 -12.20000 -7.52416 -1.16003 W24 194 0.00000 4736 1338 TIP3 H1 -12.68090 -6.93541 -1.74170 W24 194 0.00000 4737 1338 TIP3 H2 -12.15473 -7.05453 -0.32720 W24 194 0.00000 4738 1339 TIP3 OH2 -11.18370 -7.54214 1.72096 W24 195 0.00000 4739 1339 TIP3 H1 -11.46986 -6.73061 2.14018 W24 195 0.00000 4740 1339 TIP3 H2 -10.36472 -7.31023 1.28311 W24 195 0.00000 4741 1340 TIP3 OH2 -17.51932 -2.49583 -8.46251 W24 196 0.00000 4742 1340 TIP3 H1 -17.96125 -3.34485 -8.47270 W24 196 0.00000 4743 1340 TIP3 H2 -16.60411 -2.70391 -8.27458 W24 196 0.00000 4744 1341 TIP3 OH2 -14.76507 -3.17302 -8.34340 W24 197 0.00000 4745 1341 TIP3 H1 -14.71867 -3.82395 -9.04366 W24 197 0.00000 4746 1341 TIP3 H2 -14.57303 -3.66516 -7.54518 W24 197 0.00000 4747 1342 TIP3 OH2 -13.79607 -4.27134 -6.05567 W24 198 0.00000 4748 1342 TIP3 H1 -13.16705 -4.74299 -6.60166 W24 198 0.00000 4749 1342 TIP3 H2 -14.37793 -4.95194 -5.71736 W24 198 0.00000 4750 1343 TIP3 OH2 -6.10807 -14.42765 -13.55928 W24 199 0.00000 4751 1343 TIP3 H1 -6.51819 -14.79289 -14.34326 W24 199 0.00000 4752 1343 TIP3 H2 -5.16861 -14.53622 -13.70714 W24 199 0.00000 4753 1344 TIP3 OH2 -2.12386 -17.47876 -11.35496 W24 200 0.00000 4754 1344 TIP3 H1 -1.56927 -16.98039 -10.75473 W24 200 0.00000 4755 1344 TIP3 H2 -2.64968 -16.81574 -11.80233 W24 200 0.00000 4756 1345 TIP3 OH2 -0.24085 -16.18392 -9.99999 W24 201 0.00000 4757 1345 TIP3 H1 0.68955 -16.37970 -10.11066 W24 201 0.00000 4758 1345 TIP3 H2 -0.29399 -15.74219 -9.15248 W24 201 0.00000 4759 1346 TIP3 OH2 -9.31624 -11.32854 -20.31143 W24 202 0.00000 4760 1346 TIP3 H1 -9.41781 -10.88760 -21.15492 W24 202 0.00000 4761 1346 TIP3 H2 -8.70294 -12.04239 -20.48612 W24 202 0.00000 4762 1347 TIP3 OH2 -7.22703 -8.27786 -22.62080 W24 203 0.00000 4763 1347 TIP3 H1 -6.74356 -7.62241 -22.11793 W24 203 0.00000 4764 1347 TIP3 H2 -8.14500 -8.02366 -22.52636 W24 203 0.00000 4765 1348 TIP3 OH2 -6.11451 -12.77936 -17.36968 W24 204 0.00000 4766 1348 TIP3 H1 -5.64138 -12.79214 -16.53769 W24 204 0.00000 4767 1348 TIP3 H2 -6.74853 -13.49268 -17.29620 W24 204 0.00000 4768 1349 TIP3 OH2 -3.51939 -15.71110 -13.09541 W24 205 0.00000 4769 1349 TIP3 H1 -2.86740 -15.04011 -13.29766 W24 205 0.00000 4770 1349 TIP3 H2 -3.48615 -16.31049 -13.84097 W24 205 0.00000 4771 1350 TIP3 OH2 -5.58674 -6.58233 -20.62195 W24 208 0.00000 4772 1350 TIP3 H1 -4.69763 -6.81432 -20.89005 W24 208 0.00000 4773 1350 TIP3 H2 -5.71171 -7.03499 -19.78786 W24 208 0.00000 4774 1351 TIP3 OH2 -3.97182 -9.70027 -16.25683 W24 209 0.00000 4775 1351 TIP3 H1 -4.09274 -10.64600 -16.34157 W24 209 0.00000 4776 1351 TIP3 H2 -4.59673 -9.43803 -15.58086 W24 209 0.00000 4777 1352 TIP3 OH2 -9.63763 -22.80488 -10.20005 W24 215 0.00000 4778 1352 TIP3 H1 -10.01369 -23.68359 -10.14827 W24 215 0.00000 4779 1352 TIP3 H2 -8.81791 -22.86535 -9.70951 W24 215 0.00000 4780 1353 TIP3 OH2 -12.00604 -12.27677 2.19659 W24 216 0.00000 4781 1353 TIP3 H1 -12.11855 -11.79367 1.37794 W24 216 0.00000 4782 1353 TIP3 H2 -12.50869 -11.77798 2.84062 W24 216 0.00000 4783 1354 TIP3 OH2 -18.85931 -20.79364 -1.88352 W25 1 0.00000 4784 1354 TIP3 H1 -19.02632 -20.10594 -1.23900 W25 1 0.00000 4785 1354 TIP3 H2 -18.75431 -20.32576 -2.71194 W25 1 0.00000 4786 1355 TIP3 OH2 -21.60147 -23.21386 -1.95179 W25 2 0.00000 4787 1355 TIP3 H1 -21.88148 -24.10199 -2.17321 W25 2 0.00000 4788 1355 TIP3 H2 -21.14676 -22.90336 -2.73477 W25 2 0.00000 4789 1356 TIP3 OH2 -18.97814 -21.35751 1.91209 W25 4 0.00000 4790 1356 TIP3 H1 -19.33220 -21.99124 1.28819 W25 4 0.00000 4791 1356 TIP3 H2 -19.64691 -21.29253 2.59381 W25 4 0.00000 4792 1357 TIP3 OH2 -27.51356 -18.35366 -3.67188 W25 5 0.00000 4793 1357 TIP3 H1 -27.24618 -18.51875 -4.57602 W25 5 0.00000 4794 1357 TIP3 H2 -26.86088 -18.81060 -3.14137 W25 5 0.00000 4795 1358 TIP3 OH2 -22.74652 -17.13327 3.45992 W25 8 0.00000 4796 1358 TIP3 H1 -21.92586 -17.60878 3.33097 W25 8 0.00000 4797 1358 TIP3 H2 -23.41838 -17.81479 3.47863 W25 8 0.00000 4798 1359 TIP3 OH2 -23.75662 -21.32631 -1.26870 W25 9 0.00000 4799 1359 TIP3 H1 -22.92908 -21.48842 -1.72161 W25 9 0.00000 4800 1359 TIP3 H2 -23.72718 -21.89940 -0.50259 W25 9 0.00000 4801 1360 TIP3 OH2 -15.75556 -30.38670 -0.80549 W25 10 0.00000 4802 1360 TIP3 H1 -16.41672 -30.48696 -0.12062 W25 10 0.00000 4803 1360 TIP3 H2 -15.14365 -29.73921 -0.45538 W25 10 0.00000 4804 1361 TIP3 OH2 -20.01255 -26.32870 -2.80291 W25 11 0.00000 4805 1361 TIP3 H1 -19.61550 -27.02054 -3.33200 W25 11 0.00000 4806 1361 TIP3 H2 -19.53327 -25.53634 -3.04516 W25 11 0.00000 4807 1362 TIP3 OH2 -15.95409 -24.91514 -4.83894 W25 13 0.00000 4808 1362 TIP3 H1 -15.83009 -25.76625 -4.41886 W25 13 0.00000 4809 1362 TIP3 H2 -15.37152 -24.32461 -4.36133 W25 13 0.00000 4810 1363 TIP3 OH2 -22.24090 -21.44013 -5.73314 W25 15 0.00000 4811 1363 TIP3 H1 -21.99428 -22.33607 -5.50358 W25 15 0.00000 4812 1363 TIP3 H2 -22.14917 -21.40241 -6.68518 W25 15 0.00000 4813 1364 TIP3 OH2 -17.47788 -31.02256 1.18609 W25 16 0.00000 4814 1364 TIP3 H1 -18.09270 -30.29077 1.13400 W25 16 0.00000 4815 1364 TIP3 H2 -18.02619 -31.78354 1.37711 W25 16 0.00000 4816 1365 TIP3 OH2 -19.22339 -18.35395 -0.60369 W25 18 0.00000 4817 1365 TIP3 H1 -18.74526 -17.90310 -1.29964 W25 18 0.00000 4818 1365 TIP3 H2 -19.76694 -17.67361 -0.20631 W25 18 0.00000 4819 1366 TIP3 OH2 -15.86224 -27.29620 -3.47557 W25 20 0.00000 4820 1366 TIP3 H1 -16.10555 -28.08997 -3.95194 W25 20 0.00000 4821 1366 TIP3 H2 -15.92446 -27.54170 -2.55248 W25 20 0.00000 4822 1367 TIP3 OH2 -24.88282 -13.93151 -8.14003 W25 23 0.00000 4823 1367 TIP3 H1 -24.54799 -13.09567 -8.46481 W25 23 0.00000 4824 1367 TIP3 H2 -25.43875 -13.69513 -7.39755 W25 23 0.00000 4825 1368 TIP3 OH2 -20.81527 -21.86734 4.26196 W25 24 0.00000 4826 1368 TIP3 H1 -21.57028 -21.62233 3.72703 W25 24 0.00000 4827 1368 TIP3 H2 -20.84152 -21.26415 5.00473 W25 24 0.00000 4828 1369 TIP3 OH2 -20.32441 -17.84725 3.15933 W25 27 0.00000 4829 1369 TIP3 H1 -19.48182 -18.13710 2.80967 W25 27 0.00000 4830 1369 TIP3 H2 -20.10231 -17.14088 3.76592 W25 27 0.00000 4831 1370 TIP3 OH2 -17.85736 -18.63900 2.03589 W25 28 0.00000 4832 1370 TIP3 H1 -17.39144 -18.60555 1.20041 W25 28 0.00000 4833 1370 TIP3 H2 -18.22608 -19.52168 2.06988 W25 28 0.00000 4834 1371 TIP3 OH2 -21.90714 -25.80813 5.03013 W25 29 0.00000 4835 1371 TIP3 H1 -21.12394 -25.75631 4.48228 W25 29 0.00000 4836 1371 TIP3 H2 -21.84907 -25.04475 5.60467 W25 29 0.00000 4837 1372 TIP3 OH2 -17.76117 -19.17275 -4.08935 W25 30 0.00000 4838 1372 TIP3 H1 -18.17916 -18.34432 -4.32432 W25 30 0.00000 4839 1372 TIP3 H2 -16.87886 -18.92619 -3.81194 W25 30 0.00000 4840 1373 TIP3 OH2 -15.23670 -18.24477 -6.06895 W25 31 0.00000 4841 1373 TIP3 H1 -15.21120 -18.89757 -5.36936 W25 31 0.00000 4842 1373 TIP3 H2 -14.38845 -18.32684 -6.50480 W25 31 0.00000 4843 1374 TIP3 OH2 -18.16982 -27.57294 3.17329 W25 32 0.00000 4844 1374 TIP3 H1 -18.89579 -26.95176 3.23097 W25 32 0.00000 4845 1374 TIP3 H2 -17.38993 -27.04799 3.35343 W25 32 0.00000 4846 1375 TIP3 OH2 -16.19482 -20.80284 -1.36208 W25 33 0.00000 4847 1375 TIP3 H1 -17.14092 -20.78867 -1.50675 W25 33 0.00000 4848 1375 TIP3 H2 -15.96193 -21.73090 -1.38817 W25 33 0.00000 4849 1376 TIP3 OH2 -21.69981 -28.03092 0.37489 W25 34 0.00000 4850 1376 TIP3 H1 -22.28225 -27.92983 1.12774 W25 34 0.00000 4851 1376 TIP3 H2 -21.73339 -27.18403 -0.06994 W25 34 0.00000 4852 1377 TIP3 OH2 -23.22979 -18.85256 -5.88393 W25 35 0.00000 4853 1377 TIP3 H1 -22.78102 -18.44397 -6.62412 W25 35 0.00000 4854 1377 TIP3 H2 -22.84520 -19.72698 -5.82311 W25 35 0.00000 4855 1378 TIP3 OH2 -25.24879 -18.81025 -1.79365 W25 36 0.00000 4856 1378 TIP3 H1 -24.61478 -18.66006 -2.49487 W25 36 0.00000 4857 1378 TIP3 H2 -24.96959 -19.63184 -1.38960 W25 36 0.00000 4858 1379 TIP3 OH2 -23.11489 -21.14168 2.87027 W25 38 0.00000 4859 1379 TIP3 H1 -23.92783 -21.05197 3.36756 W25 38 0.00000 4860 1379 TIP3 H2 -23.25215 -21.91524 2.32349 W25 38 0.00000 4861 1380 TIP3 OH2 -15.12503 -19.44171 -3.44488 W25 40 0.00000 4862 1380 TIP3 H1 -15.28660 -20.03280 -2.70953 W25 40 0.00000 4863 1380 TIP3 H2 -14.52371 -18.78365 -3.09618 W25 40 0.00000 4864 1381 TIP3 OH2 -21.17653 -16.48285 0.67578 W25 42 0.00000 4865 1381 TIP3 H1 -21.47751 -16.96196 1.44785 W25 42 0.00000 4866 1381 TIP3 H2 -21.64260 -15.64769 0.71483 W25 42 0.00000 4867 1382 TIP3 OH2 -9.78447 -26.04995 -6.54131 W25 44 0.00000 4868 1382 TIP3 H1 -10.62743 -25.85408 -6.95031 W25 44 0.00000 4869 1382 TIP3 H2 -9.62584 -25.31170 -5.95305 W25 44 0.00000 4870 1383 TIP3 OH2 -21.98560 -17.52921 -7.98103 W25 45 0.00000 4871 1383 TIP3 H1 -22.10899 -16.59256 -7.82712 W25 45 0.00000 4872 1383 TIP3 H2 -22.10689 -17.63540 -8.92456 W25 45 0.00000 4873 1384 TIP3 OH2 -12.69804 -15.78642 3.28775 W25 46 0.00000 4874 1384 TIP3 H1 -13.07583 -15.29854 4.01951 W25 46 0.00000 4875 1384 TIP3 H2 -11.95514 -16.25417 3.66924 W25 46 0.00000 4876 1385 TIP3 OH2 -21.45709 -13.27925 1.76661 W25 51 0.00000 4877 1385 TIP3 H1 -20.83594 -12.70398 1.32000 W25 51 0.00000 4878 1385 TIP3 H2 -21.83057 -12.73633 2.46086 W25 51 0.00000 4879 1386 TIP3 OH2 -26.47167 -13.15851 -2.67837 W25 52 0.00000 4880 1386 TIP3 H1 -26.84009 -14.02693 -2.51610 W25 52 0.00000 4881 1386 TIP3 H2 -26.75004 -12.94219 -3.56829 W25 52 0.00000 4882 1387 TIP3 OH2 -17.10886 -12.87860 2.27110 W25 53 0.00000 4883 1387 TIP3 H1 -16.29701 -13.18598 1.86782 W25 53 0.00000 4884 1387 TIP3 H2 -17.62818 -13.67223 2.40017 W25 53 0.00000 4885 1388 TIP3 OH2 -19.13770 -14.65054 2.91719 W25 54 0.00000 4886 1388 TIP3 H1 -19.91358 -14.39121 2.42020 W25 54 0.00000 4887 1388 TIP3 H2 -19.09999 -15.60242 2.82382 W25 54 0.00000 4888 1389 TIP3 OH2 -12.90429 -17.66545 -2.56152 W25 60 0.00000 4889 1389 TIP3 H1 -12.18204 -17.20789 -2.99188 W25 60 0.00000 4890 1389 TIP3 H2 -12.59772 -17.80938 -1.66625 W25 60 0.00000 4891 1390 TIP3 OH2 -14.26129 -20.71938 -9.37237 W25 61 0.00000 4892 1390 TIP3 H1 -15.05190 -21.23731 -9.22101 W25 61 0.00000 4893 1390 TIP3 H2 -13.94108 -21.01384 -10.22500 W25 61 0.00000 4894 1391 TIP3 OH2 -17.30090 -21.66984 -4.85955 W25 64 0.00000 4895 1391 TIP3 H1 -17.65082 -20.79593 -4.68613 W25 64 0.00000 4896 1391 TIP3 H2 -16.36430 -21.59385 -4.67723 W25 64 0.00000 4897 1392 TIP3 OH2 -18.32238 -24.25005 -3.62102 W25 66 0.00000 4898 1392 TIP3 H1 -18.17802 -23.30446 -3.58592 W25 66 0.00000 4899 1392 TIP3 H2 -17.63414 -24.57655 -4.20063 W25 66 0.00000 4900 1393 TIP3 OH2 -15.88901 -18.78374 -11.45340 W25 68 0.00000 4901 1393 TIP3 H1 -16.51446 -19.42325 -11.79410 W25 68 0.00000 4902 1393 TIP3 H2 -16.15014 -17.95511 -11.85515 W25 68 0.00000 4903 1394 TIP3 OH2 -18.99781 -20.25364 -9.16330 W25 74 0.00000 4904 1394 TIP3 H1 -18.53865 -20.59703 -8.39683 W25 74 0.00000 4905 1394 TIP3 H2 -18.93124 -19.30267 -9.07683 W25 74 0.00000 4906 1395 TIP3 OH2 -18.65761 -17.39324 -10.06227 W25 76 0.00000 4907 1395 TIP3 H1 -18.43190 -17.00466 -10.90742 W25 76 0.00000 4908 1395 TIP3 H2 -17.88104 -17.25569 -9.51982 W25 76 0.00000 4909 1396 TIP3 OH2 -21.09414 -24.03001 -4.69748 W25 79 0.00000 4910 1396 TIP3 H1 -20.17110 -24.21765 -4.86782 W25 79 0.00000 4911 1396 TIP3 H2 -21.54448 -24.85450 -4.88087 W25 79 0.00000 4912 1397 TIP3 OH2 -19.24648 -16.75182 -4.14976 W25 82 0.00000 4913 1397 TIP3 H1 -19.35912 -16.62703 -5.09208 W25 82 0.00000 4914 1397 TIP3 H2 -19.98325 -17.30551 -3.89125 W25 82 0.00000 4915 1398 TIP3 OH2 -20.04867 -25.57108 2.96763 W25 83 0.00000 4916 1398 TIP3 H1 -19.41044 -25.11810 3.51871 W25 83 0.00000 4917 1398 TIP3 H2 -20.33156 -24.91042 2.33539 W25 83 0.00000 4918 1399 TIP3 OH2 -13.05220 -21.64123 -6.94223 W25 84 0.00000 4919 1399 TIP3 H1 -13.61436 -21.15325 -7.54395 W25 84 0.00000 4920 1399 TIP3 H2 -13.34400 -21.37355 -6.07077 W25 84 0.00000 4921 1400 TIP3 OH2 -14.30288 -21.74299 -4.66490 W25 86 0.00000 4922 1400 TIP3 H1 -13.87519 -22.34470 -4.05559 W25 86 0.00000 4923 1400 TIP3 H2 -14.17108 -20.87694 -4.27914 W25 86 0.00000 4924 1401 TIP3 OH2 -17.66599 -15.83831 -2.08538 W25 88 0.00000 4925 1401 TIP3 H1 -18.39268 -15.44305 -1.60380 W25 88 0.00000 4926 1401 TIP3 H2 -18.05898 -16.14761 -2.90154 W25 88 0.00000 4927 1402 TIP3 OH2 -10.91255 -23.02812 -1.37049 W25 92 0.00000 4928 1402 TIP3 H1 -10.70190 -22.65930 -2.22829 W25 92 0.00000 4929 1402 TIP3 H2 -10.96403 -22.26944 -0.78912 W25 92 0.00000 4930 1403 TIP3 OH2 -15.28792 -16.91262 3.50539 W25 94 0.00000 4931 1403 TIP3 H1 -15.46735 -17.54478 2.80940 W25 94 0.00000 4932 1403 TIP3 H2 -14.44356 -16.52867 3.26903 W25 94 0.00000 4933 1404 TIP3 OH2 -20.13111 -24.10825 0.49134 W25 95 0.00000 4934 1404 TIP3 H1 -20.65466 -23.93530 -0.29109 W25 95 0.00000 4935 1404 TIP3 H2 -19.35128 -24.55655 0.16403 W25 95 0.00000 4936 1405 TIP3 OH2 -23.96687 -16.15916 -2.88339 W25 96 0.00000 4937 1405 TIP3 H1 -23.73979 -15.68586 -2.08299 W25 96 0.00000 4938 1405 TIP3 H2 -24.42754 -15.51476 -3.42074 W25 96 0.00000 4939 1406 TIP3 OH2 -21.47599 -14.56064 -10.94286 W25 97 0.00000 4940 1406 TIP3 H1 -21.52722 -14.60114 -9.98789 W25 97 0.00000 4941 1406 TIP3 H2 -22.33691 -14.24384 -11.21615 W25 97 0.00000 4942 1407 TIP3 OH2 -21.95400 -17.91053 -3.63110 W25 98 0.00000 4943 1407 TIP3 H1 -22.45083 -17.24092 -3.16096 W25 98 0.00000 4944 1407 TIP3 H2 -22.55906 -18.23382 -4.29864 W25 98 0.00000 4945 1408 TIP3 OH2 -27.20409 -19.52592 1.58328 W25 99 0.00000 4946 1408 TIP3 H1 -27.09158 -18.92132 2.31679 W25 99 0.00000 4947 1408 TIP3 H2 -27.24621 -20.39140 1.98995 W25 99 0.00000 4948 1409 TIP3 OH2 -24.20268 -13.82053 -1.31280 W25 100 0.00000 4949 1409 TIP3 H1 -24.90544 -13.46760 -1.85849 W25 100 0.00000 4950 1409 TIP3 H2 -24.47155 -13.62047 -0.41618 W25 100 0.00000 4951 1410 TIP3 OH2 -23.34143 -23.10827 1.24557 W25 101 0.00000 4952 1410 TIP3 H1 -24.10033 -23.66913 1.08524 W25 101 0.00000 4953 1410 TIP3 H2 -22.58646 -23.67270 1.07925 W25 101 0.00000 4954 1411 TIP3 OH2 -14.89845 -15.93913 -0.30850 W25 102 0.00000 4955 1411 TIP3 H1 -15.07247 -16.84648 -0.05819 W25 102 0.00000 4956 1411 TIP3 H2 -15.55766 -15.74321 -0.97430 W25 102 0.00000 4957 1412 TIP3 OH2 -13.52325 -14.58812 5.74697 W25 104 0.00000 4958 1412 TIP3 H1 -13.12951 -14.35212 6.58692 W25 104 0.00000 4959 1412 TIP3 H2 -14.39773 -14.19983 5.77431 W25 104 0.00000 4960 1413 TIP3 OH2 -15.36309 -18.59750 0.12585 W25 106 0.00000 4961 1413 TIP3 H1 -15.67597 -19.36121 -0.35899 W25 106 0.00000 4962 1413 TIP3 H2 -14.92146 -18.96397 0.89194 W25 106 0.00000 4963 1414 TIP3 OH2 -18.17313 -12.19298 -4.02457 W25 108 0.00000 4964 1414 TIP3 H1 -17.39967 -12.40669 -4.54641 W25 108 0.00000 4965 1414 TIP3 H2 -18.77829 -12.91710 -4.18478 W25 108 0.00000 4966 1415 TIP3 OH2 -20.37606 -13.76259 -4.20086 W25 109 0.00000 4967 1415 TIP3 H1 -20.63158 -14.68493 -4.18631 W25 109 0.00000 4968 1415 TIP3 H2 -20.88459 -13.36153 -3.49604 W25 109 0.00000 4969 1416 TIP3 OH2 -22.16513 -14.75244 -8.22706 W25 110 0.00000 4970 1416 TIP3 H1 -23.11790 -14.66689 -8.26061 W25 110 0.00000 4971 1416 TIP3 H2 -21.90654 -14.25368 -7.45208 W25 110 0.00000 4972 1417 TIP3 OH2 -14.77673 -23.66549 -7.14798 W25 112 0.00000 4973 1417 TIP3 H1 -14.25171 -22.88876 -6.95488 W25 112 0.00000 4974 1417 TIP3 H2 -14.98259 -24.03549 -6.28952 W25 112 0.00000 4975 1418 TIP3 OH2 -19.61631 -14.04320 -0.99433 W25 113 0.00000 4976 1418 TIP3 H1 -20.36118 -13.47471 -1.18980 W25 113 0.00000 4977 1418 TIP3 H2 -18.99493 -13.47610 -0.53772 W25 113 0.00000 4978 1419 TIP3 OH2 -17.77592 -22.13679 -7.58445 W25 114 0.00000 4979 1419 TIP3 H1 -17.43330 -22.10211 -6.69134 W25 114 0.00000 4980 1419 TIP3 H2 -18.50002 -22.76122 -7.53962 W25 114 0.00000 4981 1420 TIP3 OH2 -16.83932 -25.00256 -8.62844 W25 116 0.00000 4982 1420 TIP3 H1 -17.70572 -24.90525 -8.23335 W25 116 0.00000 4983 1420 TIP3 H2 -16.24608 -24.56744 -8.01608 W25 116 0.00000 4984 1421 TIP3 OH2 -21.72647 -12.44795 -2.07908 W25 117 0.00000 4985 1421 TIP3 H1 -21.55198 -11.63458 -1.60558 W25 117 0.00000 4986 1421 TIP3 H2 -22.55019 -12.76785 -1.71114 W25 117 0.00000 4987 1422 TIP3 OH2 -17.88000 -20.63800 -11.91893 W25 118 0.00000 4988 1422 TIP3 H1 -18.46287 -20.24904 -11.26685 W25 118 0.00000 4989 1422 TIP3 H2 -17.35265 -21.26601 -11.42523 W25 118 0.00000 4990 1423 TIP3 OH2 -17.83908 -24.89887 -0.88885 W25 120 0.00000 4991 1423 TIP3 H1 -18.01346 -24.69067 -1.80671 W25 120 0.00000 4992 1423 TIP3 H2 -17.63950 -25.83503 -0.88885 W25 120 0.00000 4993 1424 TIP3 OH2 -21.89035 -12.47966 -6.44161 W25 121 0.00000 4994 1424 TIP3 H1 -21.91290 -12.39488 -5.48844 W25 121 0.00000 4995 1424 TIP3 H2 -20.96010 -12.44176 -6.66395 W25 121 0.00000 4996 1425 TIP3 OH2 -19.97846 -16.21939 -12.74948 W25 122 0.00000 4997 1425 TIP3 H1 -20.44053 -15.69741 -12.09354 W25 122 0.00000 4998 1425 TIP3 H2 -20.31189 -15.90065 -13.58821 W25 122 0.00000 4999 1426 TIP3 OH2 -21.28175 -20.17175 6.54708 W25 123 0.00000 5000 1426 TIP3 H1 -21.17357 -19.22956 6.67663 W25 123 0.00000 5001 1426 TIP3 H2 -20.81934 -20.57005 7.28448 W25 123 0.00000 5002 1427 TIP3 OH2 -26.28269 -13.53978 -5.49766 W25 125 0.00000 5003 1427 TIP3 H1 -27.01296 -12.96564 -5.72852 W25 125 0.00000 5004 1427 TIP3 H2 -25.68959 -12.98275 -4.99349 W25 125 0.00000 5005 1428 TIP3 OH2 -17.52779 -11.72268 -1.37749 W25 128 0.00000 5006 1428 TIP3 H1 -17.96092 -12.14305 -2.12039 W25 128 0.00000 5007 1428 TIP3 H2 -16.68840 -12.17632 -1.30095 W25 128 0.00000 5008 1429 TIP3 OH2 -14.55313 -13.53532 1.64796 W25 130 0.00000 5009 1429 TIP3 H1 -14.40140 -14.46111 1.45790 W25 130 0.00000 5010 1429 TIP3 H2 -13.76370 -13.25258 2.10960 W25 130 0.00000 5011 1430 TIP3 OH2 -19.12480 -13.15223 -7.15673 W25 132 0.00000 5012 1430 TIP3 H1 -19.17094 -14.05682 -7.46627 W25 132 0.00000 5013 1430 TIP3 H2 -18.19008 -12.98915 -7.03053 W25 132 0.00000 5014 1431 TIP3 OH2 -15.72949 -14.06209 -2.97845 W25 134 0.00000 5015 1431 TIP3 H1 -16.56922 -14.45302 -2.73708 W25 134 0.00000 5016 1431 TIP3 H2 -15.47105 -14.52259 -3.77681 W25 134 0.00000 5017 1432 TIP3 OH2 -19.21995 -16.42414 -6.97346 W25 137 0.00000 5018 1432 TIP3 H1 -19.82233 -17.05089 -7.37416 W25 137 0.00000 5019 1432 TIP3 H2 -18.40325 -16.53077 -7.46117 W25 137 0.00000 5020 1433 TIP3 OH2 -16.76187 -16.79392 -8.00988 W25 139 0.00000 5021 1433 TIP3 H1 -16.21246 -16.21889 -8.54252 W25 139 0.00000 5022 1433 TIP3 H2 -16.19432 -17.06855 -7.28967 W25 139 0.00000 5023 1434 TIP3 OH2 -10.91732 -17.98478 -0.36510 W25 141 0.00000 5024 1434 TIP3 H1 -10.41607 -17.63446 -1.10147 W25 141 0.00000 5025 1434 TIP3 H2 -11.05689 -17.23231 0.20982 W25 141 0.00000 5026 1435 TIP3 OH2 -21.06145 -10.30030 -0.61773 W25 155 0.00000 5027 1435 TIP3 H1 -20.58792 -10.60197 0.15751 W25 155 0.00000 5028 1435 TIP3 H2 -21.04606 -9.34549 -0.55189 W25 155 0.00000 5029 1436 TIP3 OH2 -23.21646 -11.38742 -8.65355 W25 156 0.00000 5030 1436 TIP3 H1 -22.81573 -11.82172 -7.90054 W25 156 0.00000 5031 1436 TIP3 H2 -22.53828 -11.40359 -9.32885 W25 156 0.00000 5032 1437 TIP3 OH2 -29.29963 -10.72680 -4.26648 W25 157 0.00000 5033 1437 TIP3 H1 -29.22196 -10.46367 -5.18352 W25 157 0.00000 5034 1437 TIP3 H2 -29.22785 -11.68115 -4.28375 W25 157 0.00000 5035 1438 TIP3 OH2 -29.28300 -13.49939 -4.36453 W25 158 0.00000 5036 1438 TIP3 H1 -29.32713 -14.08947 -5.11691 W25 158 0.00000 5037 1438 TIP3 H2 -29.82638 -13.91951 -3.69785 W25 158 0.00000 5038 1439 TIP3 OH2 -19.84087 -20.79610 8.86772 W25 159 0.00000 5039 1439 TIP3 H1 -20.54266 -21.29172 9.28971 W25 159 0.00000 5040 1439 TIP3 H2 -19.34268 -20.42013 9.59345 W25 159 0.00000 5041 1440 TIP3 OH2 -21.93566 -22.88707 9.26195 W25 160 0.00000 5042 1440 TIP3 H1 -21.76771 -22.96758 8.32305 W25 160 0.00000 5043 1440 TIP3 H2 -21.89023 -23.78452 9.59171 W25 160 0.00000 5044 1441 TIP3 OH2 -13.55143 -20.20836 1.84464 W25 162 0.00000 5045 1441 TIP3 H1 -13.20981 -20.29579 2.73451 W25 162 0.00000 5046 1441 TIP3 H2 -13.70586 -21.10829 1.55736 W25 162 0.00000 5047 1442 TIP3 OH2 -13.85536 -22.85311 1.41802 W25 163 0.00000 5048 1442 TIP3 H1 -14.44498 -23.19593 0.74642 W25 163 0.00000 5049 1442 TIP3 H2 -14.02440 -23.39801 2.18661 W25 163 0.00000 5050 1443 TIP3 OH2 -18.24270 -24.21482 4.76319 W25 164 0.00000 5051 1443 TIP3 H1 -17.37399 -24.55753 4.97326 W25 164 0.00000 5052 1443 TIP3 H2 -18.40299 -23.54402 5.42693 W25 164 0.00000 5053 1444 TIP3 OH2 -21.74902 -23.32962 6.44146 W25 165 0.00000 5054 1444 TIP3 H1 -22.70607 -23.31405 6.43508 W25 165 0.00000 5055 1444 TIP3 H2 -21.49790 -23.00113 5.57818 W25 165 0.00000 5056 1445 TIP3 OH2 -11.23752 -20.60273 0.32784 W25 166 0.00000 5057 1445 TIP3 H1 -11.22497 -19.71188 -0.02211 W25 166 0.00000 5058 1445 TIP3 H2 -11.93656 -20.59391 0.98167 W25 166 0.00000 5059 1446 TIP3 OH2 -10.45191 -20.92646 -3.09628 W25 167 0.00000 5060 1446 TIP3 H1 -10.15650 -20.06079 -2.81420 W25 167 0.00000 5061 1446 TIP3 H2 -9.95251 -21.10239 -3.89370 W25 167 0.00000 5062 1447 TIP3 OH2 -15.21303 -23.47681 -0.85613 W25 168 0.00000 5063 1447 TIP3 H1 -14.98459 -24.04339 -1.59305 W25 168 0.00000 5064 1447 TIP3 H2 -16.10505 -23.73414 -0.62310 W25 168 0.00000 5065 1448 TIP3 OH2 -9.50135 -21.81530 -5.62019 W25 172 0.00000 5066 1448 TIP3 H1 -9.39507 -22.69092 -5.24841 W25 172 0.00000 5067 1448 TIP3 H2 -10.04948 -21.94789 -6.39363 W25 172 0.00000 5068 1449 TIP3 OH2 -13.57525 -23.96693 -3.17326 W25 173 0.00000 5069 1449 TIP3 H1 -13.16923 -24.74758 -3.55003 W25 173 0.00000 5070 1449 TIP3 H2 -12.95446 -23.67116 -2.50740 W25 173 0.00000 5071 1450 TIP3 OH2 -16.98520 -27.40697 -0.56558 W25 174 0.00000 5072 1450 TIP3 H1 -16.41106 -27.55364 0.18615 W25 174 0.00000 5073 1450 TIP3 H2 -17.79064 -27.87595 -0.34751 W25 174 0.00000 5074 1451 TIP3 OH2 -19.06188 -28.77631 0.87021 W25 175 0.00000 5075 1451 TIP3 H1 -19.95713 -28.56065 0.60898 W25 175 0.00000 5076 1451 TIP3 H2 -18.90040 -28.23507 1.64299 W25 175 0.00000 5077 1452 TIP3 OH2 -12.28604 -26.02827 -4.57292 W25 178 0.00000 5078 1452 TIP3 H1 -12.56509 -26.93867 -4.47532 W25 178 0.00000 5079 1452 TIP3 H2 -12.18196 -25.90904 -5.51694 W25 178 0.00000 5080 1453 TIP3 OH2 -8.74958 -24.29062 -4.44062 W25 182 0.00000 5081 1453 TIP3 H1 -7.91746 -24.59219 -4.80513 W25 182 0.00000 5082 1453 TIP3 H2 -8.55725 -24.11048 -3.52040 W25 182 0.00000 5083 1454 TIP3 OH2 -19.09324 -16.69713 5.27747 W25 184 0.00000 5084 1454 TIP3 H1 -18.13705 -16.74102 5.27778 W25 184 0.00000 5085 1454 TIP3 H2 -19.34640 -16.97235 6.15860 W25 184 0.00000 5086 1455 TIP3 OH2 -29.36930 -19.40897 -0.29384 W25 187 0.00000 5087 1455 TIP3 H1 -29.73415 -18.53908 -0.13138 W25 187 0.00000 5088 1455 TIP3 H2 -28.59357 -19.45211 0.26528 W25 187 0.00000 5089 1456 TIP3 OH2 -32.21867 -16.40362 0.16071 W25 191 0.00000 5090 1456 TIP3 H1 -32.54479 -15.56928 -0.17654 W25 191 0.00000 5091 1456 TIP3 H2 -32.94449 -17.01437 0.03276 W25 191 0.00000 5092 1457 TIP3 OH2 -29.79377 -16.84559 1.21572 W25 192 0.00000 5093 1457 TIP3 H1 -30.66358 -16.77877 0.82177 W25 192 0.00000 5094 1457 TIP3 H2 -29.49024 -15.94023 1.28223 W25 192 0.00000 5095 1458 TIP3 OH2 -26.06642 -17.94091 4.00656 W25 193 0.00000 5096 1458 TIP3 H1 -26.11104 -16.99996 3.83675 W25 193 0.00000 5097 1458 TIP3 H2 -26.64242 -18.07657 4.75893 W25 193 0.00000 5098 1459 TIP3 OH2 -24.77068 -20.09484 5.12529 W25 194 0.00000 5099 1459 TIP3 H1 -25.25158 -19.50609 4.54362 W25 194 0.00000 5100 1459 TIP3 H2 -24.72540 -19.62520 5.95813 W25 194 0.00000 5101 1460 TIP3 OH2 -23.75437 -20.11281 8.00629 W25 195 0.00000 5102 1460 TIP3 H1 -24.04053 -19.30128 8.42551 W25 195 0.00000 5103 1460 TIP3 H2 -22.93540 -19.88091 7.56843 W25 195 0.00000 5104 1461 TIP3 OH2 -30.09000 -15.06651 -2.17719 W25 196 0.00000 5105 1461 TIP3 H1 -30.53192 -15.91552 -2.18737 W25 196 0.00000 5106 1461 TIP3 H2 -29.17478 -15.27458 -1.98925 W25 196 0.00000 5107 1462 TIP3 OH2 -27.33574 -15.74369 -2.05807 W25 197 0.00000 5108 1462 TIP3 H1 -27.28934 -16.39462 -2.75833 W25 197 0.00000 5109 1462 TIP3 H2 -27.14370 -16.23583 -1.25985 W25 197 0.00000 5110 1463 TIP3 OH2 -26.36675 -16.84202 0.22965 W25 198 0.00000 5111 1463 TIP3 H1 -25.73773 -17.31367 -0.31634 W25 198 0.00000 5112 1463 TIP3 H2 -26.94860 -17.52261 0.56797 W25 198 0.00000 5113 1464 TIP3 OH2 -14.69454 -30.04944 -5.06964 W25 200 0.00000 5114 1464 TIP3 H1 -14.13994 -29.55106 -4.46940 W25 200 0.00000 5115 1464 TIP3 H2 -15.22036 -29.38642 -5.51701 W25 200 0.00000 5116 1465 TIP3 OH2 -12.81153 -28.75460 -3.71467 W25 201 0.00000 5117 1465 TIP3 H1 -11.88112 -28.95037 -3.82533 W25 201 0.00000 5118 1465 TIP3 H2 -12.86466 -28.31286 -2.86715 W25 201 0.00000 5119 1466 TIP3 OH2 -12.32482 -25.84401 -7.32656 W25 206 0.00000 5120 1466 TIP3 H1 -12.85848 -25.05986 -7.45516 W25 206 0.00000 5121 1466 TIP3 H2 -12.42967 -26.34133 -8.13765 W25 206 0.00000 5122 1467 TIP3 OH2 -25.77814 -10.78170 -5.47018 W25 207 0.00000 5123 1467 TIP3 H1 -25.77712 -10.13378 -6.17476 W25 207 0.00000 5124 1467 TIP3 H2 -26.27205 -10.36657 -4.76312 W25 207 0.00000 5125 1468 TIP3 OH2 -16.54249 -22.27094 -9.97150 W25 209 0.00000 5126 1468 TIP3 H1 -16.66342 -23.21668 -10.05625 W25 209 0.00000 5127 1468 TIP3 H2 -17.16741 -22.00871 -9.29554 W25 209 0.00000 5128 1469 TIP3 OH2 -19.20348 -11.86190 0.71159 W25 210 0.00000 5129 1469 TIP3 H1 -18.62959 -11.78729 1.47404 W25 210 0.00000 5130 1469 TIP3 H2 -18.67895 -11.52985 -0.01700 W25 210 0.00000 5131 1470 TIP3 OH2 -16.37126 -16.17561 5.78595 W25 211 0.00000 5132 1470 TIP3 H1 -15.87483 -16.23268 4.96955 W25 211 0.00000 5133 1470 TIP3 H2 -16.26111 -15.26846 6.07090 W25 211 0.00000 5134 1471 TIP3 OH2 -22.88956 -8.79116 -4.63631 W25 214 0.00000 5135 1471 TIP3 H1 -23.74556 -9.09333 -4.33271 W25 214 0.00000 5136 1471 TIP3 H2 -22.29486 -9.51380 -4.43544 W25 214 0.00000 5137 1472 TIP3 OH2 12.56738 29.48905 -8.16883 W26 1 0.00000 5138 1472 TIP3 H1 12.40037 30.17675 -7.52431 W26 1 0.00000 5139 1472 TIP3 H2 12.67238 29.95693 -8.99725 W26 1 0.00000 5140 1473 TIP3 OH2 9.82523 27.06884 -8.23709 W26 2 0.00000 5141 1473 TIP3 H1 9.54521 26.18070 -8.45852 W26 2 0.00000 5142 1473 TIP3 H2 10.27993 27.37933 -9.02008 W26 2 0.00000 5143 1474 TIP3 OH2 3.80416 28.29348 -13.05096 W26 3 0.00000 5144 1474 TIP3 H1 3.55803 27.38047 -13.19952 W26 3 0.00000 5145 1474 TIP3 H2 3.94336 28.35377 -12.10586 W26 3 0.00000 5146 1475 TIP3 OH2 12.44856 28.92519 -4.37321 W26 4 0.00000 5147 1475 TIP3 H1 12.09450 28.29146 -4.99711 W26 4 0.00000 5148 1475 TIP3 H2 11.77978 28.99016 -3.69150 W26 4 0.00000 5149 1476 TIP3 OH2 7.67007 28.95638 -7.55401 W26 9 0.00000 5150 1476 TIP3 H1 8.49761 28.79427 -8.00692 W26 9 0.00000 5151 1476 TIP3 H2 7.69952 28.38330 -6.78789 W26 9 0.00000 5152 1477 TIP3 OH2 15.67114 19.89600 -7.09079 W26 10 0.00000 5153 1477 TIP3 H1 15.00997 19.79573 -6.40593 W26 10 0.00000 5154 1477 TIP3 H2 16.28304 20.54348 -6.74069 W26 10 0.00000 5155 1478 TIP3 OH2 11.41414 23.95399 -9.08822 W26 11 0.00000 5156 1478 TIP3 H1 11.81119 23.26215 -9.61731 W26 11 0.00000 5157 1478 TIP3 H2 11.89342 24.74635 -9.33047 W26 11 0.00000 5158 1479 TIP3 OH2 9.30182 26.78848 -15.82642 W26 12 0.00000 5159 1479 TIP3 H1 9.32286 27.62626 -15.36390 W26 12 0.00000 5160 1479 TIP3 H2 9.60339 26.99511 -16.71106 W26 12 0.00000 5161 1480 TIP3 OH2 15.47260 25.36755 -11.12425 W26 13 0.00000 5162 1480 TIP3 H1 15.59661 24.51645 -10.70416 W26 13 0.00000 5163 1480 TIP3 H2 16.05517 25.95808 -10.64664 W26 13 0.00000 5164 1481 TIP3 OH2 9.18580 28.84257 -12.01844 W26 15 0.00000 5165 1481 TIP3 H1 9.43242 27.94663 -11.78888 W26 15 0.00000 5166 1481 TIP3 H2 9.27752 28.88028 -12.97049 W26 15 0.00000 5167 1482 TIP3 OH2 13.94882 19.26014 -5.09921 W26 16 0.00000 5168 1482 TIP3 H1 13.33399 19.99192 -5.15131 W26 16 0.00000 5169 1482 TIP3 H2 13.40050 18.49915 -4.90820 W26 16 0.00000 5170 1483 TIP3 OH2 6.15328 23.74759 -15.98304 W26 17 0.00000 5171 1483 TIP3 H1 6.34164 24.68484 -16.03102 W26 17 0.00000 5172 1483 TIP3 H2 5.20106 23.68983 -16.06157 W26 17 0.00000 5173 1484 TIP3 OH2 5.11594 27.81668 -9.05744 W26 19 0.00000 5174 1484 TIP3 H1 4.35415 28.39313 -9.11756 W26 19 0.00000 5175 1484 TIP3 H2 5.61768 28.15843 -8.31738 W26 19 0.00000 5176 1485 TIP3 OH2 15.56446 22.98650 -9.76087 W26 20 0.00000 5177 1485 TIP3 H1 15.32114 22.19272 -10.23725 W26 20 0.00000 5178 1485 TIP3 H2 15.50223 22.74099 -8.83779 W26 20 0.00000 5179 1486 TIP3 OH2 6.61690 26.50966 -15.67502 W26 21 0.00000 5180 1486 TIP3 H1 6.56624 26.47813 -14.71968 W26 21 0.00000 5181 1486 TIP3 H2 7.55332 26.46151 -15.86741 W26 21 0.00000 5182 1487 TIP3 OH2 10.61143 28.41536 -2.02334 W26 24 0.00000 5183 1487 TIP3 H1 9.85642 28.66037 -2.55827 W26 24 0.00000 5184 1487 TIP3 H2 10.58517 29.01854 -1.28058 W26 24 0.00000 5185 1488 TIP3 OH2 13.77145 19.56121 -9.15940 W26 25 0.00000 5186 1488 TIP3 H1 13.10241 20.23896 -9.25560 W26 25 0.00000 5187 1488 TIP3 H2 14.43966 19.96092 -8.60265 W26 25 0.00000 5188 1489 TIP3 OH2 11.43410 22.30745 -15.94422 W26 26 0.00000 5189 1489 TIP3 H1 11.70796 21.75049 -16.67293 W26 26 0.00000 5190 1489 TIP3 H2 10.57116 22.63211 -16.20144 W26 26 0.00000 5191 1490 TIP3 OH2 13.56933 31.64369 -4.24942 W26 28 0.00000 5192 1490 TIP3 H1 14.03525 31.67714 -5.08490 W26 28 0.00000 5193 1490 TIP3 H2 13.20061 30.76101 -4.21543 W26 28 0.00000 5194 1491 TIP3 OH2 9.51955 24.47456 -1.25518 W26 29 0.00000 5195 1491 TIP3 H1 10.30275 24.52638 -1.80303 W26 29 0.00000 5196 1491 TIP3 H2 9.57762 25.23794 -0.68064 W26 29 0.00000 5197 1492 TIP3 OH2 13.25687 22.70975 -3.11202 W26 32 0.00000 5198 1492 TIP3 H1 12.53090 23.33093 -3.05434 W26 32 0.00000 5199 1492 TIP3 H2 14.03676 23.23470 -2.93188 W26 32 0.00000 5200 1493 TIP3 OH2 15.23187 29.47985 -7.64739 W26 33 0.00000 5201 1493 TIP3 H1 14.28577 29.49402 -7.79206 W26 33 0.00000 5202 1493 TIP3 H2 15.46476 28.55179 -7.67348 W26 33 0.00000 5203 1494 TIP3 OH2 9.72688 22.25177 -5.91042 W26 34 0.00000 5204 1494 TIP3 H1 9.14444 22.35286 -5.15757 W26 34 0.00000 5205 1494 TIP3 H2 9.69331 23.09867 -6.35524 W26 34 0.00000 5206 1495 TIP3 OH2 6.42942 28.06466 -11.53466 W26 37 0.00000 5207 1495 TIP3 H1 7.27436 28.46577 -11.33118 W26 37 0.00000 5208 1495 TIP3 H2 6.00361 27.95746 -10.68412 W26 37 0.00000 5209 1496 TIP3 OH2 8.31180 29.14101 -3.41504 W26 38 0.00000 5210 1496 TIP3 H1 7.49886 29.23072 -2.91775 W26 38 0.00000 5211 1496 TIP3 H2 8.17454 28.36745 -3.96182 W26 38 0.00000 5212 1497 TIP3 OH2 2.40491 27.55935 -6.44271 W26 39 0.00000 5213 1497 TIP3 H1 1.63309 27.88110 -5.97689 W26 39 0.00000 5214 1497 TIP3 H2 2.47982 28.13115 -7.20669 W26 39 0.00000 5215 1498 TIP3 OH2 2.13316 26.56572 -11.28778 W26 41 0.00000 5216 1498 TIP3 H1 1.49748 26.51040 -10.57428 W26 41 0.00000 5217 1498 TIP3 H2 1.72833 27.15442 -11.92477 W26 41 0.00000 5218 1499 TIP3 OH2 9.27784 24.35837 2.76105 W26 49 0.00000 5219 1499 TIP3 H1 9.58819 23.76285 2.07897 W26 49 0.00000 5220 1499 TIP3 H2 8.36990 24.54473 2.52202 W26 49 0.00000 5221 1500 TIP3 OH2 4.15471 27.83076 -3.91202 W26 50 0.00000 5222 1500 TIP3 H1 3.62092 28.03597 -3.14444 W26 50 0.00000 5223 1500 TIP3 H2 3.52297 27.73289 -4.62445 W26 50 0.00000 5224 1501 TIP3 OH2 9.89459 19.31639 -4.64873 W26 55 0.00000 5225 1501 TIP3 H1 9.94331 20.25299 -4.84012 W26 55 0.00000 5226 1501 TIP3 H2 10.42872 18.90455 -5.32792 W26 55 0.00000 5227 1502 TIP3 OH2 8.79370 23.30174 -16.90354 W26 57 0.00000 5228 1502 TIP3 H1 8.52015 23.80264 -17.67198 W26 57 0.00000 5229 1502 TIP3 H2 8.20824 23.59472 -16.20523 W26 57 0.00000 5230 1503 TIP3 OH2 9.74508 19.31238 -12.85542 W26 58 0.00000 5231 1503 TIP3 H1 9.66167 18.39337 -12.60106 W26 58 0.00000 5232 1503 TIP3 H2 9.10447 19.42614 -13.55750 W26 58 0.00000 5233 1504 TIP3 OH2 10.14193 20.13826 -7.84960 W26 59 0.00000 5234 1504 TIP3 H1 9.30942 19.69402 -8.01029 W26 59 0.00000 5235 1504 TIP3 H2 9.89706 20.96123 -7.42654 W26 59 0.00000 5236 1505 TIP3 OH2 6.46921 25.85169 -13.16756 W26 62 0.00000 5237 1505 TIP3 H1 5.58210 25.56610 -13.38593 W26 62 0.00000 5238 1505 TIP3 H2 6.34366 26.61541 -12.60434 W26 62 0.00000 5239 1506 TIP3 OH2 14.12579 28.61285 -11.14486 W26 64 0.00000 5240 1506 TIP3 H1 13.77587 29.48676 -10.97144 W26 64 0.00000 5241 1506 TIP3 H2 15.06239 28.68884 -10.96254 W26 64 0.00000 5242 1507 TIP3 OH2 5.80997 21.37051 -7.79697 W26 65 0.00000 5243 1507 TIP3 H1 5.45598 20.87430 -8.53502 W26 65 0.00000 5244 1507 TIP3 H2 6.08929 20.70268 -7.17070 W26 65 0.00000 5245 1508 TIP3 OH2 13.10431 26.03264 -9.90633 W26 66 0.00000 5246 1508 TIP3 H1 13.24868 26.97824 -9.87122 W26 66 0.00000 5247 1508 TIP3 H2 13.79256 25.70615 -10.48593 W26 66 0.00000 5248 1509 TIP3 OH2 3.61766 25.57044 -13.83156 W26 67 0.00000 5249 1509 TIP3 H1 2.87976 25.27076 -13.30059 W26 67 0.00000 5250 1509 TIP3 H2 3.50246 25.12937 -14.67323 W26 67 0.00000 5251 1510 TIP3 OH2 8.95339 24.25593 -7.74788 W26 71 0.00000 5252 1510 TIP3 H1 9.80802 24.15605 -8.16723 W26 71 0.00000 5253 1510 TIP3 H2 8.39777 23.60560 -8.17754 W26 71 0.00000 5254 1511 TIP3 OH2 11.63965 26.09245 -14.34995 W26 72 0.00000 5255 1511 TIP3 H1 10.82109 26.24146 -14.82323 W26 72 0.00000 5256 1511 TIP3 H2 11.45618 25.34324 -13.78315 W26 72 0.00000 5257 1512 TIP3 OH2 12.65544 21.93768 -10.83535 W26 75 0.00000 5258 1512 TIP3 H1 11.71780 21.80819 -10.97771 W26 75 0.00000 5259 1512 TIP3 H2 12.92361 22.53631 -11.53246 W26 75 0.00000 5260 1513 TIP3 OH2 5.43877 27.10504 3.89628 W26 77 0.00000 5261 1513 TIP3 H1 5.98693 27.87752 4.03416 W26 77 0.00000 5262 1513 TIP3 H2 5.35638 26.71110 4.76475 W26 77 0.00000 5263 1514 TIP3 OH2 -0.05933 26.48309 -9.51964 W26 78 0.00000 5264 1514 TIP3 H1 -0.03033 26.03444 -8.67460 W26 78 0.00000 5265 1514 TIP3 H2 -0.99129 26.53580 -9.73152 W26 78 0.00000 5266 1515 TIP3 OH2 10.33256 26.25269 -10.98278 W26 79 0.00000 5267 1515 TIP3 H1 11.25559 26.06504 -11.15313 W26 79 0.00000 5268 1515 TIP3 H2 9.88221 25.42819 -11.16618 W26 79 0.00000 5269 1516 TIP3 OH2 10.67601 27.73078 -18.08424 W26 80 0.00000 5270 1516 TIP3 H1 10.78911 27.25846 -18.90907 W26 80 0.00000 5271 1516 TIP3 H2 11.56493 27.84003 -17.74642 W26 80 0.00000 5272 1517 TIP3 OH2 8.34472 24.02687 -12.16797 W26 81 0.00000 5273 1517 TIP3 H1 7.56293 24.53450 -12.38557 W26 81 0.00000 5274 1517 TIP3 H2 8.10081 23.53475 -11.38404 W26 81 0.00000 5275 1518 TIP3 OH2 11.37802 24.71161 -3.31768 W26 83 0.00000 5276 1518 TIP3 H1 12.01625 25.16459 -2.76660 W26 83 0.00000 5277 1518 TIP3 H2 11.09513 25.37227 -3.94992 W26 83 0.00000 5278 1519 TIP3 OH2 5.64030 25.65608 -5.55374 W26 85 0.00000 5279 1519 TIP3 H1 4.99932 24.97873 -5.76952 W26 85 0.00000 5280 1519 TIP3 H2 5.14833 26.29746 -5.04106 W26 85 0.00000 5281 1520 TIP3 OH2 0.29375 27.26730 -13.48120 W26 89 0.00000 5282 1520 TIP3 H1 0.02717 26.35982 -13.33407 W26 89 0.00000 5283 1520 TIP3 H2 0.37840 27.34144 -14.43177 W26 89 0.00000 5284 1521 TIP3 OH2 3.65710 23.13115 -8.38789 W26 90 0.00000 5285 1521 TIP3 H1 4.11178 23.71605 -8.99400 W26 90 0.00000 5286 1521 TIP3 H2 4.35851 22.68107 -7.91706 W26 90 0.00000 5287 1522 TIP3 OH2 6.35302 26.57999 -2.42897 W26 91 0.00000 5288 1522 TIP3 H1 5.86996 27.18076 -2.99638 W26 91 0.00000 5289 1522 TIP3 H2 5.67553 26.12732 -1.92665 W26 91 0.00000 5290 1523 TIP3 OH2 9.99812 22.57552 0.46550 W26 93 0.00000 5291 1523 TIP3 H1 9.59613 23.26306 -0.06547 W26 93 0.00000 5292 1523 TIP3 H2 10.89943 22.86981 0.59684 W26 93 0.00000 5293 1524 TIP3 OH2 11.29558 26.17444 -5.79397 W26 95 0.00000 5294 1524 TIP3 H1 10.77203 26.34739 -6.57640 W26 95 0.00000 5295 1524 TIP3 H2 12.07541 25.72614 -6.12128 W26 95 0.00000 5296 1525 TIP3 OH2 8.08526 27.17442 -5.03974 W26 101 0.00000 5297 1525 TIP3 H1 7.32636 26.61356 -5.20007 W26 101 0.00000 5298 1525 TIP3 H2 8.84024 26.61000 -5.20605 W26 101 0.00000 5299 1526 TIP3 OH2 6.69391 27.67660 0.59034 W26 103 0.00000 5300 1526 TIP3 H1 6.80827 27.83693 -0.34638 W26 103 0.00000 5301 1526 TIP3 H2 7.07667 28.44497 1.01382 W26 103 0.00000 5302 1527 TIP3 OH2 3.42653 23.51940 -16.03701 W26 105 0.00000 5303 1527 TIP3 H1 2.76357 24.08775 -16.42903 W26 105 0.00000 5304 1527 TIP3 H2 3.36713 22.70333 -16.53372 W26 105 0.00000 5305 1528 TIP3 OH2 10.07584 21.17540 -10.75681 W26 111 0.00000 5306 1528 TIP3 H1 10.08377 20.55841 -10.02504 W26 111 0.00000 5307 1528 TIP3 H2 10.00724 20.62316 -11.53562 W26 111 0.00000 5308 1529 TIP3 OH2 16.64996 26.61720 -13.43329 W26 112 0.00000 5309 1529 TIP3 H1 17.17498 27.39393 -13.24019 W26 112 0.00000 5310 1529 TIP3 H2 16.44410 26.24720 -12.57483 W26 112 0.00000 5311 1530 TIP3 OH2 13.65077 28.14590 -13.86976 W26 114 0.00000 5312 1530 TIP3 H1 13.99339 28.18058 -12.97665 W26 114 0.00000 5313 1530 TIP3 H2 12.92667 27.52147 -13.82493 W26 114 0.00000 5314 1531 TIP3 OH2 7.55600 22.50176 -9.79360 W26 115 0.00000 5315 1531 TIP3 H1 6.93948 22.33975 -9.07954 W26 115 0.00000 5316 1531 TIP3 H2 8.14580 21.74804 -9.77708 W26 115 0.00000 5317 1532 TIP3 OH2 14.58737 25.28013 -14.91375 W26 116 0.00000 5318 1532 TIP3 H1 13.72097 25.37744 -14.51866 W26 116 0.00000 5319 1532 TIP3 H2 15.18061 25.71525 -14.30139 W26 116 0.00000 5320 1533 TIP3 OH2 11.83339 18.48160 -6.77421 W26 119 0.00000 5321 1533 TIP3 H1 11.19348 19.02028 -7.23958 W26 119 0.00000 5322 1533 TIP3 H2 12.65574 18.96535 -6.85143 W26 119 0.00000 5323 1534 TIP3 OH2 13.58761 25.38382 -7.17416 W26 120 0.00000 5324 1534 TIP3 H1 13.41323 25.59202 -8.09202 W26 120 0.00000 5325 1534 TIP3 H2 13.78719 24.44766 -7.17416 W26 120 0.00000 5326 1535 TIP3 OH2 10.14494 30.11094 0.26177 W26 123 0.00000 5327 1535 TIP3 H1 10.25312 31.05313 0.39132 W26 123 0.00000 5328 1535 TIP3 H2 10.60735 29.71264 0.99917 W26 123 0.00000 5329 1536 TIP3 OH2 7.94440 24.53293 -19.08386 W26 124 0.00000 5330 1536 TIP3 H1 8.39031 25.26711 -19.50620 W26 124 0.00000 5331 1536 TIP3 H2 7.70884 23.94858 -19.80446 W26 124 0.00000 5332 1537 TIP3 OH2 -1.40961 27.83540 -3.85455 W26 127 0.00000 5333 1537 TIP3 H1 -0.97210 27.04627 -3.53504 W26 127 0.00000 5334 1537 TIP3 H2 -0.72860 28.31177 -4.32944 W26 127 0.00000 5335 1538 TIP3 OH2 4.36217 25.41042 -0.97351 W26 129 0.00000 5336 1538 TIP3 H1 4.25168 24.79428 -1.69766 W26 129 0.00000 5337 1538 TIP3 H2 4.39423 24.85883 -0.19188 W26 129 0.00000 5338 1539 TIP3 OH2 -2.38953 26.43684 -10.60949 W26 131 0.00000 5339 1539 TIP3 H1 -1.80197 25.97842 -11.21019 W26 131 0.00000 5340 1539 TIP3 H2 -2.67460 27.21024 -11.09612 W26 131 0.00000 5341 1540 TIP3 OH2 2.43585 24.57642 -6.38166 W26 133 0.00000 5342 1540 TIP3 H1 2.69800 25.43800 -6.70596 W26 133 0.00000 5343 1540 TIP3 H2 2.90907 23.95680 -6.93696 W26 133 0.00000 5344 1541 TIP3 OH2 8.03147 24.35325 -3.48708 W26 135 0.00000 5345 1541 TIP3 H1 8.41206 24.57673 -2.63772 W26 135 0.00000 5346 1541 TIP3 H2 7.29039 24.95146 -3.58288 W26 135 0.00000 5347 1542 TIP3 OH2 -0.51450 24.67955 -12.11420 W26 136 0.00000 5348 1542 TIP3 H1 0.12399 24.05258 -12.45399 W26 136 0.00000 5349 1542 TIP3 H2 -1.30672 24.16170 -11.97126 W26 136 0.00000 5350 1543 TIP3 OH2 4.19781 24.45340 -11.01903 W26 138 0.00000 5351 1543 TIP3 H1 3.37368 24.92232 -10.88803 W26 138 0.00000 5352 1543 TIP3 H2 4.87568 25.10854 -10.85315 W26 138 0.00000 5353 1544 TIP3 OH2 4.53553 22.24283 -4.93230 W26 140 0.00000 5354 1544 TIP3 H1 5.16124 21.99933 -4.25008 W26 140 0.00000 5355 1544 TIP3 H2 4.25278 21.40880 -5.30738 W26 140 0.00000 5356 1545 TIP3 OH2 4.58415 21.85545 -12.19530 W26 142 0.00000 5357 1545 TIP3 H1 5.32852 21.72086 -12.78183 W26 142 0.00000 5358 1545 TIP3 H2 4.69911 22.74534 -11.86195 W26 142 0.00000 5359 1546 TIP3 OH2 7.07418 22.30249 -13.84295 W26 143 0.00000 5360 1546 TIP3 H1 7.71551 22.85974 -13.40202 W26 143 0.00000 5361 1546 TIP3 H2 6.82389 22.79622 -14.62385 W26 143 0.00000 5362 1547 TIP3 OH2 6.15586 25.24195 -9.08213 W26 144 0.00000 5363 1547 TIP3 H1 7.09041 25.26977 -8.87705 W26 144 0.00000 5364 1547 TIP3 H2 5.82949 26.10641 -8.83229 W26 144 0.00000 5365 1548 TIP3 OH2 6.47552 18.96117 -5.91876 W26 145 0.00000 5366 1548 TIP3 H1 6.98833 18.35079 -6.44856 W26 145 0.00000 5367 1548 TIP3 H2 6.91260 18.96557 -5.06719 W26 145 0.00000 5368 1549 TIP3 OH2 7.70565 21.66310 -3.82284 W26 146 0.00000 5369 1549 TIP3 H1 7.66658 22.61499 -3.73007 W26 146 0.00000 5370 1549 TIP3 H2 8.45876 21.40108 -3.29331 W26 146 0.00000 5371 1550 TIP3 OH2 1.89608 21.88710 -11.77346 W26 147 0.00000 5372 1550 TIP3 H1 1.70235 21.92795 -12.70995 W26 147 0.00000 5373 1550 TIP3 H2 2.85158 21.85374 -11.72729 W26 147 0.00000 5374 1551 TIP3 OH2 8.17145 20.05078 -14.85775 W26 148 0.00000 5375 1551 TIP3 H1 7.86090 20.78459 -14.32736 W26 148 0.00000 5376 1551 TIP3 H2 8.11784 20.36693 -15.75963 W26 148 0.00000 5377 1552 TIP3 OH2 5.19775 20.13457 -9.94607 W26 149 0.00000 5378 1552 TIP3 H1 4.51289 19.46584 -9.94877 W26 149 0.00000 5379 1552 TIP3 H2 5.08433 20.59758 -10.77612 W26 149 0.00000 5380 1553 TIP3 OH2 7.91550 19.26401 -9.02562 W26 150 0.00000 5381 1553 TIP3 H1 7.18499 19.51293 -9.59183 W26 150 0.00000 5382 1553 TIP3 H2 7.89650 18.30705 -9.01609 W26 150 0.00000 5383 1554 TIP3 OH2 8.12344 16.47191 -8.17838 W26 151 0.00000 5384 1554 TIP3 H1 8.38019 15.87321 -8.87971 W26 151 0.00000 5385 1554 TIP3 H2 7.24572 16.18456 -7.92687 W26 151 0.00000 5386 1555 TIP3 OH2 1.57316 21.30428 -14.47153 W26 152 0.00000 5387 1555 TIP3 H1 2.35662 21.16961 -15.00471 W26 152 0.00000 5388 1555 TIP3 H2 1.08205 20.48702 -14.55592 W26 152 0.00000 5389 1556 TIP3 OH2 6.77389 17.72515 -14.29029 W26 153 0.00000 5390 1556 TIP3 H1 7.47110 17.07074 -14.24695 W26 153 0.00000 5391 1556 TIP3 H2 7.22677 18.54582 -14.48427 W26 153 0.00000 5392 1557 TIP3 OH2 5.07969 17.36004 -12.24802 W26 154 0.00000 5393 1557 TIP3 H1 5.69714 17.63365 -12.92634 W26 154 0.00000 5394 1557 TIP3 H2 4.46892 18.09289 -12.16972 W26 154 0.00000 5395 1558 TIP3 OH2 11.58582 29.48659 2.58241 W26 159 0.00000 5396 1558 TIP3 H1 10.88403 28.99097 3.00440 W26 159 0.00000 5397 1558 TIP3 H2 12.08401 29.86256 3.30814 W26 159 0.00000 5398 1559 TIP3 OH2 9.49104 27.39563 2.97665 W26 160 0.00000 5399 1559 TIP3 H1 9.65899 27.31512 2.03775 W26 160 0.00000 5400 1559 TIP3 H2 9.53646 26.49817 3.30640 W26 160 0.00000 5401 1560 TIP3 OH2 6.76956 22.01323 0.68301 W26 161 0.00000 5402 1560 TIP3 H1 5.96449 21.96902 0.16714 W26 161 0.00000 5403 1560 TIP3 H2 6.47020 22.09561 1.58845 W26 161 0.00000 5404 1561 TIP3 OH2 17.87526 30.07433 -4.44067 W26 162 0.00000 5405 1561 TIP3 H1 18.21688 29.98690 -3.55080 W26 162 0.00000 5406 1561 TIP3 H2 17.72083 29.17440 -4.72795 W26 162 0.00000 5407 1562 TIP3 OH2 17.57134 27.42959 -4.86728 W26 163 0.00000 5408 1562 TIP3 H1 16.98172 27.08677 -5.53888 W26 163 0.00000 5409 1562 TIP3 H2 17.40229 26.88468 -4.09870 W26 163 0.00000 5410 1563 TIP3 OH2 13.18399 26.06787 -1.52212 W26 164 0.00000 5411 1563 TIP3 H1 14.05270 25.72516 -1.31205 W26 164 0.00000 5412 1563 TIP3 H2 13.02370 26.73867 -0.85838 W26 164 0.00000 5413 1564 TIP3 OH2 9.67767 26.95307 0.15615 W26 165 0.00000 5414 1564 TIP3 H1 8.72063 26.96865 0.14978 W26 165 0.00000 5415 1564 TIP3 H2 9.92879 27.28156 -0.70713 W26 165 0.00000 5416 1565 TIP3 OH2 16.21366 26.80588 -7.14144 W26 168 0.00000 5417 1565 TIP3 H1 16.44210 26.23930 -7.87836 W26 168 0.00000 5418 1565 TIP3 H2 15.32164 26.54855 -6.90841 W26 168 0.00000 5419 1566 TIP3 OH2 9.70185 21.40811 -2.04409 W26 170 0.00000 5420 1566 TIP3 H1 10.20745 20.59621 -2.08154 W26 170 0.00000 5421 1566 TIP3 H2 9.78941 21.70377 -1.13792 W26 170 0.00000 5422 1567 TIP3 OH2 10.94244 19.05457 -2.21638 W26 171 0.00000 5423 1567 TIP3 H1 10.60350 19.20017 -3.09964 W26 171 0.00000 5424 1567 TIP3 H2 11.64114 18.41038 -2.33062 W26 171 0.00000 5425 1568 TIP3 OH2 17.85144 26.31576 -9.45857 W26 173 0.00000 5426 1568 TIP3 H1 18.25746 25.53511 -9.83534 W26 173 0.00000 5427 1568 TIP3 H2 18.47223 26.61153 -8.79271 W26 173 0.00000 5428 1569 TIP3 OH2 14.44149 22.87572 -6.85089 W26 174 0.00000 5429 1569 TIP3 H1 15.01563 22.72905 -6.09916 W26 174 0.00000 5430 1569 TIP3 H2 13.63605 22.40674 -6.63282 W26 174 0.00000 5431 1570 TIP3 OH2 12.36481 21.50638 -5.41510 W26 175 0.00000 5432 1570 TIP3 H1 11.46957 21.72205 -5.67632 W26 175 0.00000 5433 1570 TIP3 H2 12.52630 22.04763 -4.64231 W26 175 0.00000 5434 1571 TIP3 OH2 0.08505 23.39327 -15.77007 W26 176 0.00000 5435 1571 TIP3 H1 0.58123 22.84779 -15.15975 W26 176 0.00000 5436 1571 TIP3 H2 -0.22421 22.78353 -16.44001 W26 176 0.00000 5437 1572 TIP3 OH2 12.32458 13.16301 -6.12181 W26 177 0.00000 5438 1572 TIP3 H1 13.17928 13.01436 -6.52629 W26 177 0.00000 5439 1572 TIP3 H2 12.43657 13.96546 -5.61215 W26 177 0.00000 5440 1573 TIP3 OH2 19.14065 24.25442 -10.85823 W26 178 0.00000 5441 1573 TIP3 H1 18.86160 23.34402 -10.76063 W26 178 0.00000 5442 1573 TIP3 H2 19.24473 24.37365 -11.80225 W26 178 0.00000 5443 1574 TIP3 OH2 6.20097 26.60010 -18.45070 W26 179 0.00000 5444 1574 TIP3 H1 6.56035 25.72257 -18.58110 W26 179 0.00000 5445 1574 TIP3 H2 5.98596 26.63531 -17.51863 W26 179 0.00000 5446 1575 TIP3 OH2 12.40182 15.82999 -5.58598 W26 181 0.00000 5447 1575 TIP3 H1 11.72373 16.34004 -6.02901 W26 181 0.00000 5448 1575 TIP3 H2 13.18485 15.95492 -6.12214 W26 181 0.00000 5449 1576 TIP3 OH2 3.61174 23.42476 -19.57731 W26 185 0.00000 5450 1576 TIP3 H1 2.82170 23.05370 -19.97023 W26 185 0.00000 5451 1576 TIP3 H2 3.49395 24.37188 -19.65026 W26 185 0.00000 5452 1577 TIP3 OH2 2.49224 28.39643 -1.78593 W26 188 0.00000 5453 1577 TIP3 H1 2.14119 27.52724 -1.59234 W26 188 0.00000 5454 1577 TIP3 H2 3.16798 28.53558 -1.12241 W26 188 0.00000 5455 1578 TIP3 OH2 4.13088 28.97592 0.38274 W26 189 0.00000 5456 1578 TIP3 H1 4.95312 28.48850 0.33213 W26 189 0.00000 5457 1578 TIP3 H2 3.67356 28.59777 1.13380 W26 189 0.00000 5458 1579 TIP3 OH2 13.82628 16.34349 -8.25281 W26 190 0.00000 5459 1579 TIP3 H1 13.43452 17.08941 -8.70707 W26 190 0.00000 5460 1579 TIP3 H2 14.59029 16.11450 -8.78204 W26 190 0.00000 5461 1580 TIP3 OH2 6.65602 30.18786 -1.16001 W26 194 0.00000 5462 1580 TIP3 H1 6.17512 30.77661 -1.74168 W26 194 0.00000 5463 1580 TIP3 H2 6.70129 30.65749 -0.32718 W26 194 0.00000 5464 1581 TIP3 OH2 7.67232 30.16988 1.72098 W26 195 0.00000 5465 1581 TIP3 H1 7.38616 30.98141 2.14020 W26 195 0.00000 5466 1581 TIP3 H2 8.49130 30.40179 1.28313 W26 195 0.00000 5467 1582 TIP3 OH2 12.74795 23.28437 -13.55926 W26 199 0.00000 5468 1582 TIP3 H1 12.33783 22.91913 -14.34324 W26 199 0.00000 5469 1582 TIP3 H2 13.68740 23.17579 -13.70713 W26 199 0.00000 5470 1583 TIP3 OH2 16.73216 20.23326 -11.35494 W26 200 0.00000 5471 1583 TIP3 H1 17.28675 20.73163 -10.75471 W26 200 0.00000 5472 1583 TIP3 H2 16.20634 20.89628 -11.80231 W26 200 0.00000 5473 1584 TIP3 OH2 18.61517 21.52810 -9.99997 W26 201 0.00000 5474 1584 TIP3 H1 19.54557 21.33232 -10.11064 W26 201 0.00000 5475 1584 TIP3 H2 18.56203 21.96983 -9.15246 W26 201 0.00000 5476 1585 TIP3 OH2 9.53978 26.38348 -20.31141 W26 202 0.00000 5477 1585 TIP3 H1 9.43821 26.82442 -21.15490 W26 202 0.00000 5478 1585 TIP3 H2 10.15308 25.66963 -20.48610 W26 202 0.00000 5479 1586 TIP3 OH2 12.74151 24.93266 -17.36966 W26 204 0.00000 5480 1586 TIP3 H1 13.21464 24.91988 -16.53767 W26 204 0.00000 5481 1586 TIP3 H2 12.10749 24.21934 -17.29618 W26 204 0.00000 5482 1587 TIP3 OH2 15.33663 22.00092 -13.09539 W26 205 0.00000 5483 1587 TIP3 H1 15.98862 22.67191 -13.29764 W26 205 0.00000 5484 1587 TIP3 H2 15.36987 21.40153 -13.84095 W26 205 0.00000 5485 1588 TIP3 OH2 2.99516 20.39525 -16.82422 W26 212 0.00000 5486 1588 TIP3 H1 2.71131 19.71184 -17.43134 W26 212 0.00000 5487 1588 TIP3 H2 3.40305 19.91931 -16.10080 W26 212 0.00000 5488 1589 TIP3 OH2 3.50326 18.28071 -15.42997 W26 213 0.00000 5489 1589 TIP3 H1 4.31660 17.92171 -15.07527 W26 213 0.00000 5490 1589 TIP3 H2 3.18343 17.60517 -16.02794 W26 213 0.00000 5491 1590 TIP3 OH2 9.21839 14.90714 -10.20003 W26 215 0.00000 5492 1590 TIP3 H1 8.84233 14.02843 -10.14825 W26 215 0.00000 5493 1590 TIP3 H2 10.03811 14.84667 -9.70949 W26 215 0.00000 5494 1591 TIP3 OH2 6.84998 25.43525 2.19661 W26 216 0.00000 5495 1591 TIP3 H1 6.73746 25.91834 1.37795 W26 216 0.00000 5496 1591 TIP3 H2 6.34733 25.93404 2.84064 W26 216 0.00000 5497 1592 TIP3 OH2 -0.00329 16.91838 -1.88350 W27 1 0.00000 5498 1592 TIP3 H1 -0.17030 17.60608 -1.23898 W27 1 0.00000 5499 1592 TIP3 H2 0.10170 17.38625 -2.71193 W27 1 0.00000 5500 1593 TIP3 OH2 -8.76651 15.72281 -6.76563 W27 3 0.00000 5501 1593 TIP3 H1 -9.01264 14.80980 -6.91419 W27 3 0.00000 5502 1593 TIP3 H2 -8.62731 15.78310 -5.82053 W27 3 0.00000 5503 1594 TIP3 OH2 -0.12212 16.35451 1.91211 W27 4 0.00000 5504 1594 TIP3 H1 -0.47618 15.72078 1.28821 W27 4 0.00000 5505 1594 TIP3 H2 -0.79089 16.41949 2.59383 W27 4 0.00000 5506 1595 TIP3 OH2 -8.65754 19.35836 -3.67186 W27 5 0.00000 5507 1595 TIP3 H1 -8.39016 19.19327 -4.57600 W27 5 0.00000 5508 1595 TIP3 H2 -8.00486 18.90142 -3.14135 W27 5 0.00000 5509 1596 TIP3 OH2 -5.73285 19.33326 -11.69403 W27 6 0.00000 5510 1596 TIP3 H1 -6.30101 20.05863 -11.43467 W27 6 0.00000 5511 1596 TIP3 H2 -5.56992 19.47749 -12.62617 W27 6 0.00000 5512 1597 TIP3 OH2 -7.39696 19.12050 -9.07038 W27 7 0.00000 5513 1597 TIP3 H1 -7.34965 18.18462 -9.26561 W27 7 0.00000 5514 1597 TIP3 H2 -6.53285 19.33652 -8.71984 W27 7 0.00000 5515 1598 TIP3 OH2 -3.89050 20.57875 3.45994 W27 8 0.00000 5516 1598 TIP3 H1 -3.06984 20.10324 3.33099 W27 8 0.00000 5517 1598 TIP3 H2 -4.56236 19.89723 3.47865 W27 8 0.00000 5518 1599 TIP3 OH2 -3.26885 14.21781 -9.54109 W27 12 0.00000 5519 1599 TIP3 H1 -3.24781 15.05559 -9.07857 W27 12 0.00000 5520 1599 TIP3 H2 -2.96728 14.42444 -10.42573 W27 12 0.00000 5521 1600 TIP3 OH2 2.90193 12.79688 -4.83892 W27 13 0.00000 5522 1600 TIP3 H1 3.02593 11.94577 -4.41884 W27 13 0.00000 5523 1600 TIP3 H2 3.48449 13.38740 -4.36132 W27 13 0.00000 5524 1601 TIP3 OH2 -6.82904 16.43405 -9.94256 W27 14 0.00000 5525 1601 TIP3 H1 -6.49799 15.56161 -9.72933 W27 14 0.00000 5526 1601 TIP3 H2 -6.11052 16.85454 -10.41494 W27 14 0.00000 5527 1602 TIP3 OH2 -3.38488 16.27189 -5.73312 W27 15 0.00000 5528 1602 TIP3 H1 -3.13826 15.37595 -5.50356 W27 15 0.00000 5529 1602 TIP3 H2 -3.29315 16.30961 -6.68516 W27 15 0.00000 5530 1603 TIP3 OH2 -0.36737 19.35807 -0.60367 W27 18 0.00000 5531 1603 TIP3 H1 0.11076 19.80892 -1.29962 W27 18 0.00000 5532 1603 TIP3 H2 -0.91092 20.03841 -0.20629 W27 18 0.00000 5533 1604 TIP3 OH2 2.99378 10.41582 -3.47555 W27 20 0.00000 5534 1604 TIP3 H1 2.75047 9.62205 -3.95192 W27 20 0.00000 5535 1604 TIP3 H2 2.93156 10.17032 -2.55246 W27 20 0.00000 5536 1605 TIP3 OH2 -5.95378 13.93898 -9.38970 W27 21 0.00000 5537 1605 TIP3 H1 -6.00444 13.90745 -8.43436 W27 21 0.00000 5538 1605 TIP3 H2 -5.01736 13.89083 -9.58209 W27 21 0.00000 5539 1606 TIP3 OH2 -9.69598 16.56163 -2.26191 W27 22 0.00000 5540 1606 TIP3 H1 -9.74054 17.40166 -1.80519 W27 22 0.00000 5541 1606 TIP3 H2 -10.52050 16.50711 -2.74503 W27 22 0.00000 5542 1607 TIP3 OH2 -6.02680 23.78051 -8.14001 W27 23 0.00000 5543 1607 TIP3 H1 -5.69197 24.61635 -8.46479 W27 23 0.00000 5544 1607 TIP3 H2 -6.58273 24.01689 -7.39753 W27 23 0.00000 5545 1608 TIP3 OH2 -1.95925 15.84468 4.26198 W27 24 0.00000 5546 1608 TIP3 H1 -2.71426 16.08969 3.72705 W27 24 0.00000 5547 1608 TIP3 H2 -1.98550 16.44787 5.00475 W27 24 0.00000 5548 1609 TIP3 OH2 -1.46839 19.86477 3.15935 W27 27 0.00000 5549 1609 TIP3 H1 -0.62581 19.57491 2.80968 W27 27 0.00000 5550 1609 TIP3 H2 -1.24629 20.57114 3.76594 W27 27 0.00000 5551 1610 TIP3 OH2 0.99865 19.07301 2.03590 W27 28 0.00000 5552 1610 TIP3 H1 1.46458 19.10647 1.20043 W27 28 0.00000 5553 1610 TIP3 H2 0.62994 18.19034 2.06990 W27 28 0.00000 5554 1611 TIP3 OH2 -3.05113 11.90388 5.03014 W27 29 0.00000 5555 1611 TIP3 H1 -2.26792 11.95571 4.48230 W27 29 0.00000 5556 1611 TIP3 H2 -2.99305 12.66727 5.60469 W27 29 0.00000 5557 1612 TIP3 OH2 1.09485 18.53927 -4.08933 W27 30 0.00000 5558 1612 TIP3 H1 0.67686 19.36770 -4.32430 W27 30 0.00000 5559 1612 TIP3 H2 1.97716 18.78583 -3.81192 W27 30 0.00000 5560 1613 TIP3 OH2 3.61932 19.46725 -6.06893 W27 31 0.00000 5561 1613 TIP3 H1 3.64482 18.81445 -5.36934 W27 31 0.00000 5562 1613 TIP3 H2 4.46757 19.38518 -6.50478 W27 31 0.00000 5563 1614 TIP3 OH2 2.66120 16.90918 -1.36206 W27 33 0.00000 5564 1614 TIP3 H1 1.71510 16.92335 -1.50673 W27 33 0.00000 5565 1614 TIP3 H2 2.89409 15.98112 -1.38815 W27 33 0.00000 5566 1615 TIP3 OH2 -4.37377 18.85946 -5.88391 W27 35 0.00000 5567 1615 TIP3 H1 -3.92500 19.26805 -6.62410 W27 35 0.00000 5568 1615 TIP3 H2 -3.98918 17.98504 -5.82309 W27 35 0.00000 5569 1616 TIP3 OH2 -6.39277 18.90177 -1.79363 W27 36 0.00000 5570 1616 TIP3 H1 -5.75876 19.05196 -2.49485 W27 36 0.00000 5571 1616 TIP3 H2 -6.11357 18.08018 -1.38958 W27 36 0.00000 5572 1617 TIP3 OH2 -6.14126 15.49398 -5.24934 W27 37 0.00000 5573 1617 TIP3 H1 -5.29631 15.89510 -5.04585 W27 37 0.00000 5574 1617 TIP3 H2 -6.56706 15.38679 -4.39879 W27 37 0.00000 5575 1618 TIP3 OH2 -4.25887 16.57034 2.87029 W27 38 0.00000 5576 1618 TIP3 H1 -5.07181 16.66005 3.36758 W27 38 0.00000 5577 1618 TIP3 H2 -4.39614 15.79677 2.32350 W27 38 0.00000 5578 1619 TIP3 OH2 -10.16576 14.98868 -0.15738 W27 39 0.00000 5579 1619 TIP3 H1 -10.93758 15.31043 0.30844 W27 39 0.00000 5580 1619 TIP3 H2 -10.09085 15.56048 -0.92136 W27 39 0.00000 5581 1620 TIP3 OH2 3.73099 18.27031 -3.44486 W27 40 0.00000 5582 1620 TIP3 H1 3.56942 17.67922 -2.70951 W27 40 0.00000 5583 1620 TIP3 H2 4.33231 18.92837 -3.09616 W27 40 0.00000 5584 1621 TIP3 OH2 -10.43752 13.99504 -5.00246 W27 41 0.00000 5585 1621 TIP3 H1 -11.07320 13.93972 -4.28896 W27 41 0.00000 5586 1621 TIP3 H2 -10.84235 14.58374 -5.63945 W27 41 0.00000 5587 1622 TIP3 OH2 -2.32051 21.22917 0.67580 W27 42 0.00000 5588 1622 TIP3 H1 -2.62149 20.75006 1.44787 W27 42 0.00000 5589 1622 TIP3 H2 -2.78658 22.06433 0.71485 W27 42 0.00000 5590 1623 TIP3 OH2 -12.53879 16.44756 0.30447 W27 43 0.00000 5591 1623 TIP3 H1 -11.85679 16.98600 -0.09701 W27 43 0.00000 5592 1623 TIP3 H2 -13.27836 16.50676 -0.30029 W27 43 0.00000 5593 1624 TIP3 OH2 9.07155 11.66207 -6.54129 W27 44 0.00000 5594 1624 TIP3 H1 8.22859 11.85794 -6.95029 W27 44 0.00000 5595 1624 TIP3 H2 9.23018 12.40032 -5.95303 W27 44 0.00000 5596 1625 TIP3 OH2 -3.12958 20.18281 -7.98101 W27 45 0.00000 5597 1625 TIP3 H1 -3.25297 21.11946 -7.82710 W27 45 0.00000 5598 1625 TIP3 H2 -3.25087 20.07662 -8.92454 W27 45 0.00000 5599 1626 TIP3 OH2 6.15798 21.92560 3.28777 W27 46 0.00000 5600 1626 TIP3 H1 5.78018 22.41347 4.01952 W27 46 0.00000 5601 1626 TIP3 H2 6.90088 21.45785 3.66926 W27 46 0.00000 5602 1627 TIP3 OH2 -12.39854 17.18376 -6.07207 W27 47 0.00000 5603 1627 TIP3 H1 -12.17994 17.87546 -6.69656 W27 47 0.00000 5604 1627 TIP3 H2 -12.29955 16.37170 -6.56903 W27 47 0.00000 5605 1628 TIP3 OH2 -11.41450 21.19791 -5.42363 W27 48 0.00000 5606 1628 TIP3 H1 -10.72299 20.79906 -4.89547 W27 48 0.00000 5607 1628 TIP3 H2 -12.10892 21.40014 -4.79665 W27 48 0.00000 5608 1629 TIP3 OH2 -3.29283 11.78770 9.04638 W27 49 0.00000 5609 1629 TIP3 H1 -2.98249 11.19217 8.36429 W27 49 0.00000 5610 1629 TIP3 H2 -4.20077 11.97406 8.80735 W27 49 0.00000 5611 1630 TIP3 OH2 -8.41597 15.26008 2.37330 W27 50 0.00000 5612 1630 TIP3 H1 -8.94975 15.46530 3.14089 W27 50 0.00000 5613 1630 TIP3 H2 -9.04771 15.16221 1.66087 W27 50 0.00000 5614 1631 TIP3 OH2 -2.60107 24.43277 1.76663 W27 51 0.00000 5615 1631 TIP3 H1 -1.97993 25.00803 1.32001 W27 51 0.00000 5616 1631 TIP3 H2 -2.97456 24.97568 2.46087 W27 51 0.00000 5617 1632 TIP3 OH2 -7.61566 24.55350 -2.67836 W27 52 0.00000 5618 1632 TIP3 H1 -7.98408 23.68508 -2.51609 W27 52 0.00000 5619 1632 TIP3 H2 -7.89402 24.76983 -3.56827 W27 52 0.00000 5620 1633 TIP3 OH2 1.74716 24.83342 2.27112 W27 53 0.00000 5621 1633 TIP3 H1 2.55901 24.52604 1.86784 W27 53 0.00000 5622 1633 TIP3 H2 1.22784 24.03979 2.40019 W27 53 0.00000 5623 1634 TIP3 OH2 -0.28168 23.06148 2.91721 W27 54 0.00000 5624 1634 TIP3 H1 -1.05756 23.32081 2.42022 W27 54 0.00000 5625 1634 TIP3 H2 -0.24397 22.10960 2.82384 W27 54 0.00000 5626 1635 TIP3 OH2 -12.03587 16.62092 -3.34258 W27 56 0.00000 5627 1635 TIP3 H1 -12.34436 15.73486 -3.15293 W27 56 0.00000 5628 1635 TIP3 H2 -12.34159 16.79611 -4.23257 W27 56 0.00000 5629 1636 TIP3 OH2 5.95172 20.04656 -2.56151 W27 60 0.00000 5630 1636 TIP3 H1 6.67398 20.50413 -2.99186 W27 60 0.00000 5631 1636 TIP3 H2 6.25830 19.90264 -1.66623 W27 60 0.00000 5632 1637 TIP3 OH2 4.59473 16.99264 -9.37235 W27 61 0.00000 5633 1637 TIP3 H1 3.80412 16.47471 -9.22099 W27 61 0.00000 5634 1637 TIP3 H2 4.91494 16.69818 -10.22498 W27 61 0.00000 5635 1638 TIP3 OH2 -2.78519 16.82139 -8.43295 W27 63 0.00000 5636 1638 TIP3 H1 -3.22779 16.93111 -9.27456 W27 63 0.00000 5637 1638 TIP3 H2 -1.85532 16.92369 -8.63567 W27 63 0.00000 5638 1639 TIP3 OH2 1.55512 16.04218 -4.85953 W27 64 0.00000 5639 1639 TIP3 H1 1.20520 16.91609 -4.68611 W27 64 0.00000 5640 1639 TIP3 H2 2.49172 16.11817 -4.67721 W27 64 0.00000 5641 1640 TIP3 OH2 -8.95301 12.99977 -7.54623 W27 67 0.00000 5642 1640 TIP3 H1 -9.69091 12.70009 -7.01526 W27 67 0.00000 5643 1640 TIP3 H2 -9.06821 12.55870 -8.38790 W27 67 0.00000 5644 1641 TIP3 OH2 2.96701 18.92828 -11.45338 W27 68 0.00000 5645 1641 TIP3 H1 2.34156 18.28877 -11.79408 W27 68 0.00000 5646 1641 TIP3 H2 2.70588 19.75691 -11.85513 W27 68 0.00000 5647 1642 TIP3 OH2 -6.15333 16.30755 -13.77990 W27 69 0.00000 5648 1642 TIP3 H1 -6.20281 15.59851 -13.13878 W27 69 0.00000 5649 1642 TIP3 H2 -5.22506 16.36126 -14.00717 W27 69 0.00000 5650 1643 TIP3 OH2 -2.50195 19.43092 -13.95828 W27 70 0.00000 5651 1643 TIP3 H1 -1.99289 20.05680 -13.44314 W27 70 0.00000 5652 1643 TIP3 H2 -3.38829 19.79223 -13.96732 W27 70 0.00000 5653 1644 TIP3 OH2 -4.13952 17.11357 -10.81773 W27 73 0.00000 5654 1644 TIP3 H1 -4.53881 17.70303 -11.45751 W27 73 0.00000 5655 1644 TIP3 H2 -3.43048 16.68442 -11.29660 W27 73 0.00000 5656 1645 TIP3 OH2 -0.14179 17.45838 -9.16328 W27 74 0.00000 5657 1645 TIP3 H1 0.31737 17.11499 -8.39681 W27 74 0.00000 5658 1645 TIP3 H2 -0.07522 18.40935 -9.07681 W27 74 0.00000 5659 1646 TIP3 OH2 0.19841 20.31878 -10.06225 W27 76 0.00000 5660 1646 TIP3 H1 0.42412 20.70736 -10.90740 W27 76 0.00000 5661 1646 TIP3 H2 0.97498 20.45633 -9.51980 W27 76 0.00000 5662 1647 TIP3 OH2 -7.13190 14.53437 10.18161 W27 77 0.00000 5663 1647 TIP3 H1 -6.58374 15.30685 10.31949 W27 77 0.00000 5664 1647 TIP3 H2 -7.21429 14.14043 11.05008 W27 77 0.00000 5665 1648 TIP3 OH2 -12.63000 13.91242 -3.23431 W27 78 0.00000 5666 1648 TIP3 H1 -12.60100 13.46377 -2.38927 W27 78 0.00000 5667 1648 TIP3 H2 -13.56196 13.96513 -3.44619 W27 78 0.00000 5668 1649 TIP3 OH2 -1.89466 15.16011 -11.79891 W27 80 0.00000 5669 1649 TIP3 H1 -1.78157 14.68778 -12.62375 W27 80 0.00000 5670 1649 TIP3 H2 -1.00574 15.26936 -11.46109 W27 80 0.00000 5671 1650 TIP3 OH2 -0.39046 20.96020 -4.14974 W27 82 0.00000 5672 1650 TIP3 H1 -0.50310 21.08499 -5.09206 W27 82 0.00000 5673 1650 TIP3 H2 -1.12723 20.40651 -3.89123 W27 82 0.00000 5674 1651 TIP3 OH2 -1.19265 12.14094 2.96765 W27 83 0.00000 5675 1651 TIP3 H1 -0.55442 12.59392 3.51873 W27 83 0.00000 5676 1651 TIP3 H2 -1.47554 12.80160 2.33541 W27 83 0.00000 5677 1652 TIP3 OH2 5.80382 16.07079 -6.94221 W27 84 0.00000 5678 1652 TIP3 H1 5.24166 16.55877 -7.54393 W27 84 0.00000 5679 1652 TIP3 H2 5.51202 16.33847 -6.07075 W27 84 0.00000 5680 1653 TIP3 OH2 4.55314 15.96903 -4.66488 W27 86 0.00000 5681 1653 TIP3 H1 4.98083 15.36732 -4.05557 W27 86 0.00000 5682 1653 TIP3 H2 4.68494 16.83508 -4.27912 W27 86 0.00000 5683 1654 TIP3 OH2 -7.25210 18.26873 -5.94659 W27 87 0.00000 5684 1654 TIP3 H1 -6.35391 18.41977 -5.65218 W27 87 0.00000 5685 1654 TIP3 H2 -7.24680 17.37275 -6.28340 W27 87 0.00000 5686 1655 TIP3 OH2 1.19003 21.87371 -2.08536 W27 88 0.00000 5687 1655 TIP3 H1 0.46334 22.26897 -1.60378 W27 88 0.00000 5688 1655 TIP3 H2 0.79704 21.56441 -2.90152 W27 88 0.00000 5689 1656 TIP3 OH2 -12.27692 14.69663 -7.19587 W27 89 0.00000 5690 1656 TIP3 H1 -12.54351 13.78914 -7.04875 W27 89 0.00000 5691 1656 TIP3 H2 -12.19227 14.77077 -8.14644 W27 89 0.00000 5692 1657 TIP3 OH2 -6.21765 14.00932 3.85636 W27 91 0.00000 5693 1657 TIP3 H1 -6.70071 14.61009 3.28895 W27 91 0.00000 5694 1657 TIP3 H2 -6.89514 13.55665 4.35868 W27 91 0.00000 5695 1658 TIP3 OH2 7.94347 14.68390 -1.37047 W27 92 0.00000 5696 1658 TIP3 H1 8.15412 15.05272 -2.22827 W27 92 0.00000 5697 1658 TIP3 H2 7.89198 15.44257 -0.78911 W27 92 0.00000 5698 1659 TIP3 OH2 -2.57256 10.00484 6.75082 W27 93 0.00000 5699 1659 TIP3 H1 -2.97454 10.69239 6.21986 W27 93 0.00000 5700 1659 TIP3 H2 -1.67124 10.29914 6.88217 W27 93 0.00000 5701 1660 TIP3 OH2 3.56810 20.79940 3.50541 W27 94 0.00000 5702 1660 TIP3 H1 3.38867 20.16724 2.80942 W27 94 0.00000 5703 1660 TIP3 H2 4.41246 21.18335 3.26905 W27 94 0.00000 5704 1661 TIP3 OH2 -1.27509 13.60377 0.49136 W27 95 0.00000 5705 1661 TIP3 H1 -1.79865 13.77671 -0.29108 W27 95 0.00000 5706 1661 TIP3 H2 -0.49526 13.15547 0.16405 W27 95 0.00000 5707 1662 TIP3 OH2 -5.11085 21.55286 -2.88337 W27 96 0.00000 5708 1662 TIP3 H1 -4.88377 22.02616 -2.08297 W27 96 0.00000 5709 1662 TIP3 H2 -5.57152 22.19726 -3.42072 W27 96 0.00000 5710 1663 TIP3 OH2 -2.61997 23.15138 -10.94284 W27 97 0.00000 5711 1663 TIP3 H1 -2.67120 23.11088 -9.98787 W27 97 0.00000 5712 1663 TIP3 H2 -3.48089 23.46818 -11.21613 W27 97 0.00000 5713 1664 TIP3 OH2 -3.09798 19.80149 -3.63108 W27 98 0.00000 5714 1664 TIP3 H1 -3.59481 20.47110 -3.16094 W27 98 0.00000 5715 1664 TIP3 H2 -3.70304 19.47820 -4.29862 W27 98 0.00000 5716 1665 TIP3 OH2 -8.34807 18.18610 1.58330 W27 99 0.00000 5717 1665 TIP3 H1 -8.23557 18.79069 2.31680 W27 99 0.00000 5718 1665 TIP3 H2 -8.39019 17.32062 1.98997 W27 99 0.00000 5719 1666 TIP3 OH2 -5.34666 23.89149 -1.31278 W27 100 0.00000 5720 1666 TIP3 H1 -6.04942 24.24442 -1.85847 W27 100 0.00000 5721 1666 TIP3 H2 -5.61553 24.09155 -0.41616 W27 100 0.00000 5722 1667 TIP3 OH2 -4.48541 14.60375 1.24559 W27 101 0.00000 5723 1667 TIP3 H1 -5.24431 14.04289 1.08526 W27 101 0.00000 5724 1667 TIP3 H2 -3.73044 14.03932 1.07927 W27 101 0.00000 5725 1668 TIP3 OH2 3.95757 21.77289 -0.30848 W27 102 0.00000 5726 1668 TIP3 H1 3.78355 20.86554 -0.05817 W27 102 0.00000 5727 1668 TIP3 H2 3.29836 21.96881 -0.97428 W27 102 0.00000 5728 1669 TIP3 OH2 -5.87676 15.10593 6.87567 W27 103 0.00000 5729 1669 TIP3 H1 -5.76240 15.26626 5.93895 W27 103 0.00000 5730 1669 TIP3 H2 -5.49400 15.87430 7.29915 W27 103 0.00000 5731 1670 TIP3 OH2 5.33277 23.12390 5.74699 W27 104 0.00000 5732 1670 TIP3 H1 5.72651 23.35990 6.58694 W27 104 0.00000 5733 1670 TIP3 H2 4.45829 23.51219 5.77433 W27 104 0.00000 5734 1671 TIP3 OH2 3.49293 19.11452 0.12587 W27 106 0.00000 5735 1671 TIP3 H1 3.18005 18.35081 -0.35897 W27 106 0.00000 5736 1671 TIP3 H2 3.93456 18.74805 0.89196 W27 106 0.00000 5737 1672 TIP3 OH2 -12.26811 19.97800 -2.63627 W27 107 0.00000 5738 1672 TIP3 H1 -11.79215 19.30517 -3.12310 W27 107 0.00000 5739 1672 TIP3 H2 -12.78423 19.49003 -1.99461 W27 107 0.00000 5740 1673 TIP3 OH2 0.68289 25.51904 -4.02455 W27 108 0.00000 5741 1673 TIP3 H1 1.45634 25.30532 -4.54640 W27 108 0.00000 5742 1673 TIP3 H2 0.07773 24.79492 -4.18476 W27 108 0.00000 5743 1674 TIP3 OH2 -1.52004 23.94943 -4.20084 W27 109 0.00000 5744 1674 TIP3 H1 -1.77556 23.02709 -4.18629 W27 109 0.00000 5745 1674 TIP3 H2 -2.02857 24.35049 -3.49602 W27 109 0.00000 5746 1675 TIP3 OH2 -3.30911 22.95958 -8.22704 W27 110 0.00000 5747 1675 TIP3 H1 -4.26188 23.04513 -8.26059 W27 110 0.00000 5748 1675 TIP3 H2 -3.05052 23.45834 -7.45206 W27 110 0.00000 5749 1676 TIP3 OH2 4.07929 14.04653 -7.14796 W27 112 0.00000 5750 1676 TIP3 H1 4.60430 14.82325 -6.95487 W27 112 0.00000 5751 1676 TIP3 H2 3.87343 13.67653 -6.28950 W27 112 0.00000 5752 1677 TIP3 OH2 -0.76029 23.66882 -0.99431 W27 113 0.00000 5753 1677 TIP3 H1 -1.50516 24.23731 -1.18978 W27 113 0.00000 5754 1677 TIP3 H2 -0.13891 24.23592 -0.53770 W27 113 0.00000 5755 1678 TIP3 OH2 1.08010 15.57523 -7.58443 W27 114 0.00000 5756 1678 TIP3 H1 1.42272 15.60991 -6.69132 W27 114 0.00000 5757 1678 TIP3 H2 0.35600 14.95080 -7.53960 W27 114 0.00000 5758 1679 TIP3 OH2 2.01670 12.70946 -8.62842 W27 116 0.00000 5759 1679 TIP3 H1 1.15030 12.80677 -8.23333 W27 116 0.00000 5760 1679 TIP3 H2 2.60994 13.14458 -8.01606 W27 116 0.00000 5761 1680 TIP3 OH2 -2.87045 25.26407 -2.07906 W27 117 0.00000 5762 1680 TIP3 H1 -2.69596 26.07744 -1.60556 W27 117 0.00000 5763 1680 TIP3 H2 -3.69417 24.94417 -1.71112 W27 117 0.00000 5764 1681 TIP3 OH2 0.97602 17.07402 -11.91891 W27 118 0.00000 5765 1681 TIP3 H1 0.39315 17.46298 -11.26683 W27 118 0.00000 5766 1681 TIP3 H2 1.50337 16.44601 -11.42521 W27 118 0.00000 5767 1682 TIP3 OH2 1.01694 12.81315 -0.88883 W27 120 0.00000 5768 1682 TIP3 H1 0.84256 13.02135 -1.80669 W27 120 0.00000 5769 1682 TIP3 H2 1.21652 11.87699 -0.88883 W27 120 0.00000 5770 1683 TIP3 OH2 -3.03433 25.23236 -6.44159 W27 121 0.00000 5771 1683 TIP3 H1 -3.05688 25.31714 -5.48842 W27 121 0.00000 5772 1683 TIP3 H2 -2.10408 25.27026 -6.66393 W27 121 0.00000 5773 1684 TIP3 OH2 -1.12244 21.49263 -12.74946 W27 122 0.00000 5774 1684 TIP3 H1 -1.58451 22.01461 -12.09352 W27 122 0.00000 5775 1684 TIP3 H2 -1.45587 21.81137 -13.58819 W27 122 0.00000 5776 1685 TIP3 OH2 -2.42574 17.54026 6.54709 W27 123 0.00000 5777 1685 TIP3 H1 -2.31755 18.48246 6.67665 W27 123 0.00000 5778 1685 TIP3 H2 -1.96333 17.14196 7.28449 W27 123 0.00000 5779 1686 TIP3 OH2 -4.62627 11.96226 -12.79853 W27 124 0.00000 5780 1686 TIP3 H1 -4.18036 12.69644 -13.22087 W27 124 0.00000 5781 1686 TIP3 H2 -4.86183 11.37791 -13.51913 W27 124 0.00000 5782 1687 TIP3 OH2 -7.42667 24.17224 -5.49764 W27 125 0.00000 5783 1687 TIP3 H1 -8.15694 24.74638 -5.72850 W27 125 0.00000 5784 1687 TIP3 H2 -6.83357 24.72927 -4.99347 W27 125 0.00000 5785 1688 TIP3 OH2 -16.32508 18.59783 -0.45388 W27 126 0.00000 5786 1688 TIP3 H1 -16.39935 17.76674 0.01517 W27 126 0.00000 5787 1688 TIP3 H2 -16.25091 18.34780 -1.37486 W27 126 0.00000 5788 1689 TIP3 OH2 -13.98028 15.26473 2.43078 W27 127 0.00000 5789 1689 TIP3 H1 -13.54277 14.47560 2.75029 W27 127 0.00000 5790 1689 TIP3 H2 -13.29927 15.74110 1.95589 W27 127 0.00000 5791 1690 TIP3 OH2 1.32823 25.98934 -1.37747 W27 128 0.00000 5792 1690 TIP3 H1 0.89509 25.56896 -2.12038 W27 128 0.00000 5793 1690 TIP3 H2 2.16762 25.53570 -1.30093 W27 128 0.00000 5794 1691 TIP3 OH2 -8.20850 12.83975 5.31182 W27 129 0.00000 5795 1691 TIP3 H1 -8.31899 12.22361 4.58767 W27 129 0.00000 5796 1691 TIP3 H2 -8.17644 12.28816 6.09345 W27 129 0.00000 5797 1692 TIP3 OH2 4.30289 24.17670 1.64798 W27 130 0.00000 5798 1692 TIP3 H1 4.45462 23.25091 1.45792 W27 130 0.00000 5799 1692 TIP3 H2 5.09231 24.45943 2.10961 W27 130 0.00000 5800 1693 TIP3 OH2 -14.96021 13.86616 -4.32417 W27 131 0.00000 5801 1693 TIP3 H1 -14.37264 13.40775 -4.92486 W27 131 0.00000 5802 1693 TIP3 H2 -15.24527 14.63957 -4.81079 W27 131 0.00000 5803 1694 TIP3 OH2 -0.26878 24.55979 -7.15671 W27 132 0.00000 5804 1694 TIP3 H1 -0.31492 23.65520 -7.46625 W27 132 0.00000 5805 1694 TIP3 H2 0.66594 24.72287 -7.03051 W27 132 0.00000 5806 1695 TIP3 OH2 3.12652 23.64992 -2.97844 W27 134 0.00000 5807 1695 TIP3 H1 2.28680 23.25900 -2.73706 W27 134 0.00000 5808 1695 TIP3 H2 3.38497 23.18943 -3.77679 W27 134 0.00000 5809 1696 TIP3 OH2 -4.53921 11.78257 2.79824 W27 135 0.00000 5810 1696 TIP3 H1 -4.15861 12.00606 3.64761 W27 135 0.00000 5811 1696 TIP3 H2 -5.28028 12.38079 2.70245 W27 135 0.00000 5812 1697 TIP3 OH2 -13.08517 12.10888 -5.82887 W27 136 0.00000 5813 1697 TIP3 H1 -12.44668 11.48191 -6.16866 W27 136 0.00000 5814 1697 TIP3 H2 -13.87739 11.59103 -5.68593 W27 136 0.00000 5815 1698 TIP3 OH2 -0.36394 21.28787 -6.97345 W27 137 0.00000 5816 1698 TIP3 H1 -0.96631 20.66113 -7.37414 W27 137 0.00000 5817 1698 TIP3 H2 0.45276 21.18124 -7.46116 W27 137 0.00000 5818 1699 TIP3 OH2 2.09415 20.91810 -8.00986 W27 139 0.00000 5819 1699 TIP3 H1 2.64356 21.49313 -8.54250 W27 139 0.00000 5820 1699 TIP3 H2 2.66170 20.64347 -7.28965 W27 139 0.00000 5821 1700 TIP3 OH2 7.93870 19.72724 -0.36508 W27 141 0.00000 5822 1700 TIP3 H1 8.43995 20.07756 -1.10145 W27 141 0.00000 5823 1700 TIP3 H2 7.79913 20.47971 0.20984 W27 141 0.00000 5824 1701 TIP3 OH2 -10.99751 8.73361 -8.18620 W27 152 0.00000 5825 1701 TIP3 H1 -10.21405 8.59894 -8.71938 W27 152 0.00000 5826 1701 TIP3 H2 -11.48862 7.91635 -8.27059 W27 152 0.00000 5827 1702 TIP3 OH2 -2.20543 27.41172 -0.61771 W27 155 0.00000 5828 1702 TIP3 H1 -1.73190 27.11005 0.15753 W27 155 0.00000 5829 1702 TIP3 H2 -2.19004 28.36653 -0.55187 W27 155 0.00000 5830 1703 TIP3 OH2 -4.36044 26.32460 -8.65353 W27 156 0.00000 5831 1703 TIP3 H1 -3.95972 25.89029 -7.90053 W27 156 0.00000 5832 1703 TIP3 H2 -3.68226 26.30843 -9.32883 W27 156 0.00000 5833 1704 TIP3 OH2 -10.44361 26.98522 -4.26646 W27 157 0.00000 5834 1704 TIP3 H1 -10.36594 27.24835 -5.18350 W27 157 0.00000 5835 1704 TIP3 H2 -10.37183 26.03087 -4.28373 W27 157 0.00000 5836 1705 TIP3 OH2 -10.42698 24.21263 -4.36451 W27 158 0.00000 5837 1705 TIP3 H1 -10.47111 23.62255 -5.11689 W27 158 0.00000 5838 1705 TIP3 H2 -10.97036 23.79251 -3.69783 W27 158 0.00000 5839 1706 TIP3 OH2 -0.98485 16.91592 8.86774 W27 159 0.00000 5840 1706 TIP3 H1 -1.68665 16.42029 9.28972 W27 159 0.00000 5841 1706 TIP3 H2 -0.48666 17.29189 9.59347 W27 159 0.00000 5842 1707 TIP3 OH2 -3.07964 14.82495 9.26197 W27 160 0.00000 5843 1707 TIP3 H1 -2.91169 14.74444 8.32307 W27 160 0.00000 5844 1707 TIP3 H2 -3.03421 13.92750 9.59173 W27 160 0.00000 5845 1708 TIP3 OH2 -5.80111 9.44256 6.96834 W27 161 0.00000 5846 1708 TIP3 H1 -6.60618 9.39835 6.45247 W27 161 0.00000 5847 1708 TIP3 H2 -6.10047 9.52494 7.87378 W27 161 0.00000 5848 1709 TIP3 OH2 5.30458 17.50365 1.84465 W27 162 0.00000 5849 1709 TIP3 H1 5.64621 17.41623 2.73453 W27 162 0.00000 5850 1709 TIP3 H2 5.15016 16.60373 1.55738 W27 162 0.00000 5851 1710 TIP3 OH2 5.00066 14.85891 1.41804 W27 163 0.00000 5852 1710 TIP3 H1 4.41104 14.51609 0.74644 W27 163 0.00000 5853 1710 TIP3 H2 4.83162 14.31401 2.18663 W27 163 0.00000 5854 1711 TIP3 OH2 0.61332 13.49720 4.76321 W27 164 0.00000 5855 1711 TIP3 H1 1.48203 13.15449 4.97328 W27 164 0.00000 5856 1711 TIP3 H2 0.45303 14.16800 5.42695 W27 164 0.00000 5857 1712 TIP3 OH2 -2.89300 14.38240 6.44148 W27 165 0.00000 5858 1712 TIP3 H1 -3.85005 14.39797 6.43510 W27 165 0.00000 5859 1712 TIP3 H2 -2.64188 14.71089 5.57820 W27 165 0.00000 5860 1713 TIP3 OH2 7.61850 17.10929 0.32786 W27 166 0.00000 5861 1713 TIP3 H1 7.63105 18.00014 -0.02209 W27 166 0.00000 5862 1713 TIP3 H2 6.91946 17.11811 0.98169 W27 166 0.00000 5863 1714 TIP3 OH2 8.40411 16.78556 -3.09626 W27 167 0.00000 5864 1714 TIP3 H1 8.69952 17.65123 -2.81418 W27 167 0.00000 5865 1714 TIP3 H2 8.90350 16.60962 -3.89369 W27 167 0.00000 5866 1715 TIP3 OH2 3.64299 14.23521 -0.85611 W27 168 0.00000 5867 1715 TIP3 H1 3.87143 13.66863 -1.59303 W27 168 0.00000 5868 1715 TIP3 H2 2.75097 13.97788 -0.62308 W27 168 0.00000 5869 1716 TIP3 OH2 -9.69985 17.93535 -8.11035 W27 169 0.00000 5870 1716 TIP3 H1 -8.92591 18.44317 -8.35395 W27 169 0.00000 5871 1716 TIP3 H2 -9.37465 17.28696 -7.48581 W27 169 0.00000 5872 1717 TIP3 OH2 9.35467 15.89672 -5.62017 W27 172 0.00000 5873 1717 TIP3 H1 9.46095 15.02110 -5.24839 W27 172 0.00000 5874 1717 TIP3 H2 8.80654 15.76413 -6.39361 W27 172 0.00000 5875 1718 TIP3 OH2 5.28077 13.74509 -3.17324 W27 173 0.00000 5876 1718 TIP3 H1 5.68679 12.96444 -3.55001 W27 173 0.00000 5877 1718 TIP3 H2 5.90156 14.04086 -2.50738 W27 173 0.00000 5878 1719 TIP3 OH2 -12.48562 10.82260 -9.48474 W27 176 0.00000 5879 1719 TIP3 H1 -11.98945 10.27711 -8.87443 W27 176 0.00000 5880 1719 TIP3 H2 -12.79488 10.21286 -10.15468 W27 176 0.00000 5881 1720 TIP3 OH2 6.56998 11.68375 -4.57290 W27 178 0.00000 5882 1720 TIP3 H1 6.29093 10.77335 -4.47530 W27 178 0.00000 5883 1720 TIP3 H2 6.67405 11.80297 -5.51693 W27 178 0.00000 5884 1721 TIP3 OH2 -6.36970 14.02943 -12.16537 W27 179 0.00000 5885 1721 TIP3 H1 -6.01033 13.15189 -12.29578 W27 179 0.00000 5886 1721 TIP3 H2 -6.58471 14.06464 -11.23330 W27 179 0.00000 5887 1722 TIP3 OH2 -9.21279 15.88161 -10.94014 W27 180 0.00000 5888 1722 TIP3 H1 -8.28396 16.09751 -11.02306 W27 180 0.00000 5889 1722 TIP3 H2 -9.43881 16.13384 -10.04487 W27 180 0.00000 5890 1723 TIP3 OH2 10.10644 13.42140 -4.44060 W27 182 0.00000 5891 1723 TIP3 H1 10.93856 13.11983 -4.80511 W27 182 0.00000 5892 1723 TIP3 H2 10.29877 13.60154 -3.52038 W27 182 0.00000 5893 1724 TIP3 OH2 -3.79249 17.24617 -15.20769 W27 183 0.00000 5894 1724 TIP3 H1 -4.39252 17.77996 -15.72851 W27 183 0.00000 5895 1724 TIP3 H2 -3.19134 17.87741 -14.81223 W27 183 0.00000 5896 1725 TIP3 OH2 -0.23722 21.01489 5.27749 W27 184 0.00000 5897 1725 TIP3 H1 0.71897 20.97100 5.27780 W27 184 0.00000 5898 1725 TIP3 H2 -0.49038 20.73967 6.15862 W27 184 0.00000 5899 1726 TIP3 OH2 -8.95893 10.85409 -13.29198 W27 185 0.00000 5900 1726 TIP3 H1 -9.74897 10.48303 -13.68490 W27 185 0.00000 5901 1726 TIP3 H2 -9.07673 11.80120 -13.36494 W27 185 0.00000 5902 1727 TIP3 OH2 -14.65250 16.14400 -1.66556 W27 186 0.00000 5903 1727 TIP3 H1 -14.95086 16.84104 -2.24980 W27 186 0.00000 5904 1727 TIP3 H2 -15.40976 15.56543 -1.57591 W27 186 0.00000 5905 1728 TIP3 OH2 -10.51328 18.30305 -0.29382 W27 187 0.00000 5906 1728 TIP3 H1 -10.87813 19.17294 -0.13136 W27 187 0.00000 5907 1728 TIP3 H2 -9.73755 18.25991 0.26530 W27 187 0.00000 5908 1729 TIP3 OH2 -10.07843 15.82576 4.49940 W27 188 0.00000 5909 1729 TIP3 H1 -10.42949 14.95656 4.69298 W27 188 0.00000 5910 1729 TIP3 H2 -9.40270 15.96490 5.16291 W27 188 0.00000 5911 1730 TIP3 OH2 -8.43979 16.40525 6.66807 W27 189 0.00000 5912 1730 TIP3 H1 -7.61756 15.91782 6.61745 W27 189 0.00000 5913 1730 TIP3 H2 -8.89711 16.02710 7.41913 W27 189 0.00000 5914 1731 TIP3 OH2 -13.36265 21.30840 0.16073 W27 191 0.00000 5915 1731 TIP3 H1 -13.68877 22.14274 -0.17652 W27 191 0.00000 5916 1731 TIP3 H2 -14.08847 20.69765 0.03278 W27 191 0.00000 5917 1732 TIP3 OH2 -10.93775 20.86643 1.21574 W27 192 0.00000 5918 1732 TIP3 H1 -11.80756 20.93325 0.82179 W27 192 0.00000 5919 1732 TIP3 H2 -10.63423 21.77178 1.28224 W27 192 0.00000 5920 1733 TIP3 OH2 -7.21040 19.77111 4.00658 W27 193 0.00000 5921 1733 TIP3 H1 -7.25502 20.71206 3.83677 W27 193 0.00000 5922 1733 TIP3 H2 -7.78640 19.63545 4.75895 W27 193 0.00000 5923 1734 TIP3 OH2 -5.91466 17.61718 5.12531 W27 194 0.00000 5924 1734 TIP3 H1 -6.39556 18.20593 4.54364 W27 194 0.00000 5925 1734 TIP3 H2 -5.86938 18.08682 5.95815 W27 194 0.00000 5926 1735 TIP3 OH2 -4.89835 17.59921 8.00631 W27 195 0.00000 5927 1735 TIP3 H1 -5.18451 18.41074 8.42553 W27 195 0.00000 5928 1735 TIP3 H2 -4.07938 17.83111 7.56845 W27 195 0.00000 5929 1736 TIP3 OH2 -11.23398 22.64551 -2.17717 W27 196 0.00000 5930 1736 TIP3 H1 -11.67590 21.79650 -2.18735 W27 196 0.00000 5931 1736 TIP3 H2 -10.31876 22.43744 -1.98923 W27 196 0.00000 5932 1737 TIP3 OH2 -8.47972 21.96833 -2.05805 W27 197 0.00000 5933 1737 TIP3 H1 -8.43332 21.31740 -2.75831 W27 197 0.00000 5934 1737 TIP3 H2 -8.28768 21.47619 -1.25983 W27 197 0.00000 5935 1738 TIP3 OH2 -7.51073 20.87000 0.22967 W27 198 0.00000 5936 1738 TIP3 H1 -6.88171 20.39835 -0.31632 W27 198 0.00000 5937 1738 TIP3 H2 -8.09258 20.18941 0.56799 W27 198 0.00000 5938 1739 TIP3 OH2 0.17727 10.71369 -7.27394 W27 199 0.00000 5939 1739 TIP3 H1 -0.23285 10.34845 -8.05792 W27 199 0.00000 5940 1739 TIP3 H2 1.11673 10.60512 -7.42180 W27 199 0.00000 5941 1740 TIP3 OH2 6.04449 8.95742 -3.71465 W27 201 0.00000 5942 1740 TIP3 H1 6.97490 8.76165 -3.82531 W27 201 0.00000 5943 1740 TIP3 H2 5.99136 9.39916 -2.86713 W27 201 0.00000 5944 1741 TIP3 OH2 -3.03090 13.81280 -14.02609 W27 202 0.00000 5945 1741 TIP3 H1 -3.13247 14.25374 -14.86958 W27 202 0.00000 5946 1741 TIP3 H2 -2.41759 13.09896 -14.20077 W27 202 0.00000 5947 1742 TIP3 OH2 -0.94168 16.86349 -16.33545 W27 203 0.00000 5948 1742 TIP3 H1 -0.45822 17.51893 -15.83259 W27 203 0.00000 5949 1742 TIP3 H2 -1.85966 17.11768 -16.24102 W27 203 0.00000 5950 1743 TIP3 OH2 0.17083 12.36198 -11.08434 W27 204 0.00000 5951 1743 TIP3 H1 0.64396 12.34920 -10.25235 W27 204 0.00000 5952 1743 TIP3 H2 -0.46319 11.64866 -11.01086 W27 204 0.00000 5953 1744 TIP3 OH2 2.76596 9.43025 -6.81006 W27 205 0.00000 5954 1744 TIP3 H1 3.41794 10.10123 -7.01232 W27 205 0.00000 5955 1744 TIP3 H2 2.79920 8.83086 -7.55562 W27 205 0.00000 5956 1745 TIP3 OH2 6.53120 11.86801 -7.32654 W27 206 0.00000 5957 1745 TIP3 H1 5.99754 12.65216 -7.45514 W27 206 0.00000 5958 1745 TIP3 H2 6.42635 11.37069 -8.13763 W27 206 0.00000 5959 1746 TIP3 OH2 -6.92212 26.93032 -5.47016 W27 207 0.00000 5960 1746 TIP3 H1 -6.92110 27.57824 -6.17474 W27 207 0.00000 5961 1746 TIP3 H2 -7.41603 27.34545 -4.76310 W27 207 0.00000 5962 1747 TIP3 OH2 0.69860 18.55901 -14.33661 W27 208 0.00000 5963 1747 TIP3 H1 1.58772 18.32703 -14.60470 W27 208 0.00000 5964 1747 TIP3 H2 0.57363 18.10635 -13.50252 W27 208 0.00000 5965 1748 TIP3 OH2 2.31353 15.44108 -9.97148 W27 209 0.00000 5966 1748 TIP3 H1 2.19260 14.49534 -10.05623 W27 209 0.00000 5967 1748 TIP3 H2 1.68861 15.70331 -9.29552 W27 209 0.00000 5968 1749 TIP3 OH2 -0.34746 25.85012 0.71161 W27 210 0.00000 5969 1749 TIP3 H1 0.22643 25.92473 1.47406 W27 210 0.00000 5970 1749 TIP3 H2 0.17707 26.18217 -0.01698 W27 210 0.00000 5971 1750 TIP3 OH2 2.48476 21.53641 5.78597 W27 211 0.00000 5972 1750 TIP3 H1 2.98119 21.47934 4.96957 W27 211 0.00000 5973 1750 TIP3 H2 2.59491 22.44356 6.07092 W27 211 0.00000 5974 1751 TIP3 OH2 -5.72069 12.86458 8.48194 W27 216 0.00000 5975 1751 TIP3 H1 -5.83321 13.34767 7.66328 W27 216 0.00000 5976 1751 TIP3 H2 -6.22334 13.36337 9.12597 W27 216 0.00000 5977 1752 TIP3 OH2 -12.57397 4.34770 4.40182 W28 1 0.00000 5978 1752 TIP3 H1 -12.74097 5.03541 5.04635 W28 1 0.00000 5979 1752 TIP3 H2 -12.46897 4.81558 3.57340 W28 1 0.00000 5980 1753 TIP3 OH2 -15.31612 1.92749 4.33356 W28 2 0.00000 5981 1753 TIP3 H1 -15.59614 1.03935 4.11213 W28 2 0.00000 5982 1753 TIP3 H2 -14.86141 2.23799 3.55058 W28 2 0.00000 5983 1754 TIP3 OH2 -21.33719 3.15213 -0.48031 W28 3 0.00000 5984 1754 TIP3 H1 -21.58332 2.23912 -0.62887 W28 3 0.00000 5985 1754 TIP3 H2 -21.19799 3.21242 0.46479 W28 3 0.00000 5986 1755 TIP3 OH2 -12.69279 3.78384 8.19744 W28 4 0.00000 5987 1755 TIP3 H1 -13.04685 3.15011 7.57354 W28 4 0.00000 5988 1755 TIP3 H2 -13.36156 3.84882 8.87916 W28 4 0.00000 5989 1756 TIP3 OH2 -21.22821 6.78769 2.61347 W28 5 0.00000 5990 1756 TIP3 H1 -20.96084 6.62259 1.70932 W28 5 0.00000 5991 1756 TIP3 H2 -20.57553 6.33075 3.14398 W28 5 0.00000 5992 1757 TIP3 OH2 -18.30352 6.76259 -5.40870 W28 6 0.00000 5993 1757 TIP3 H1 -18.87169 7.48795 -5.14935 W28 6 0.00000 5994 1757 TIP3 H2 -18.14059 6.90682 -6.34084 W28 6 0.00000 5995 1758 TIP3 OH2 -19.96764 6.54982 -2.78506 W28 7 0.00000 5996 1758 TIP3 H1 -19.92032 5.61395 -2.98028 W28 7 0.00000 5997 1758 TIP3 H2 -19.10352 6.76585 -2.43451 W28 7 0.00000 5998 1759 TIP3 OH2 -16.46117 8.00808 9.74527 W28 8 0.00000 5999 1759 TIP3 H1 -15.64052 7.53256 9.61631 W28 8 0.00000 6000 1759 TIP3 H2 -17.13303 7.32656 9.76398 W28 8 0.00000 6001 1760 TIP3 OH2 -17.47127 3.81504 5.01665 W28 9 0.00000 6002 1760 TIP3 H1 -16.64373 3.65293 4.56374 W28 9 0.00000 6003 1760 TIP3 H2 -17.44183 3.24195 5.78276 W28 9 0.00000 6004 1761 TIP3 OH2 -9.47021 -5.24535 5.47986 W28 10 0.00000 6005 1761 TIP3 H1 -10.13138 -5.34562 6.16472 W28 10 0.00000 6006 1761 TIP3 H2 -8.85831 -4.59787 5.82996 W28 10 0.00000 6007 1762 TIP3 OH2 -13.72721 -1.18736 3.48243 W28 11 0.00000 6008 1762 TIP3 H1 -13.33015 -1.87919 2.95335 W28 11 0.00000 6009 1762 TIP3 H2 -13.24793 -0.39500 3.24018 W28 11 0.00000 6010 1763 TIP3 OH2 -15.83952 1.64714 -3.25576 W28 12 0.00000 6011 1763 TIP3 H1 -15.81849 2.48491 -2.79325 W28 12 0.00000 6012 1763 TIP3 H2 -15.53795 1.85377 -4.14040 W28 12 0.00000 6013 1764 TIP3 OH2 -19.39971 3.86338 -3.65723 W28 14 0.00000 6014 1764 TIP3 H1 -19.06867 2.99093 -3.44401 W28 14 0.00000 6015 1764 TIP3 H2 -18.68119 4.28387 -4.12961 W28 14 0.00000 6016 1765 TIP3 OH2 -11.19253 -5.88121 7.47144 W28 16 0.00000 6017 1765 TIP3 H1 -11.80735 -5.14942 7.41935 W28 16 0.00000 6018 1765 TIP3 H2 -11.74085 -6.64220 7.66245 W28 16 0.00000 6019 1766 TIP3 OH2 -18.98806 -1.39375 -3.41238 W28 17 0.00000 6020 1766 TIP3 H1 -18.79970 -0.45650 -3.46036 W28 17 0.00000 6021 1766 TIP3 H2 -19.94028 -1.45151 -3.49091 W28 17 0.00000 6022 1767 TIP3 OH2 -12.93805 6.78739 5.68165 W28 18 0.00000 6023 1767 TIP3 H1 -12.45991 7.23825 4.98571 W28 18 0.00000 6024 1767 TIP3 H2 -13.48159 7.46774 6.07904 W28 18 0.00000 6025 1768 TIP3 OH2 -20.02540 2.67534 3.51322 W28 19 0.00000 6026 1768 TIP3 H1 -20.78719 3.25179 3.45310 W28 19 0.00000 6027 1768 TIP3 H2 -19.52366 3.01709 4.25328 W28 19 0.00000 6028 1769 TIP3 OH2 -18.52445 1.36831 -3.10437 W28 21 0.00000 6029 1769 TIP3 H1 -18.57511 1.33678 -2.14903 W28 21 0.00000 6030 1769 TIP3 H2 -17.58803 1.32016 -3.29676 W28 21 0.00000 6031 1770 TIP3 OH2 -22.26665 3.99096 4.02342 W28 22 0.00000 6032 1770 TIP3 H1 -22.31121 4.83099 4.48014 W28 22 0.00000 6033 1770 TIP3 H2 -23.09118 3.93643 3.54029 W28 22 0.00000 6034 1771 TIP3 OH2 -18.59747 11.20984 -1.85468 W28 23 0.00000 6035 1771 TIP3 H1 -18.26264 12.04568 -2.17946 W28 23 0.00000 6036 1771 TIP3 H2 -19.15341 11.44621 -1.11221 W28 23 0.00000 6037 1772 TIP3 OH2 -14.52992 3.27401 10.54731 W28 24 0.00000 6038 1772 TIP3 H1 -15.28493 3.51902 10.01238 W28 24 0.00000 6039 1772 TIP3 H2 -14.55618 3.87719 11.29007 W28 24 0.00000 6040 1773 TIP3 OH2 -11.36989 -5.58013 3.41126 W28 25 0.00000 6041 1773 TIP3 H1 -12.03894 -4.90239 3.31505 W28 25 0.00000 6042 1773 TIP3 H2 -10.70169 -5.18043 3.96800 W28 25 0.00000 6043 1774 TIP3 OH2 -13.70725 -2.83390 -3.37357 W28 26 0.00000 6044 1774 TIP3 H1 -13.43339 -3.39086 -4.10228 W28 26 0.00000 6045 1774 TIP3 H2 -14.57018 -2.50923 -3.63078 W28 26 0.00000 6046 1775 TIP3 OH2 -14.03906 7.29410 9.44468 W28 27 0.00000 6047 1775 TIP3 H1 -13.19648 7.00424 9.09501 W28 27 0.00000 6048 1775 TIP3 H2 -13.81697 8.00046 10.05126 W28 27 0.00000 6049 1776 TIP3 OH2 -11.57202 6.50234 8.32123 W28 28 0.00000 6050 1776 TIP3 H1 -11.10610 6.53579 7.48575 W28 28 0.00000 6051 1776 TIP3 H2 -11.94073 5.61967 8.35523 W28 28 0.00000 6052 1777 TIP3 OH2 -15.62180 -0.66679 11.31547 W28 29 0.00000 6053 1777 TIP3 H1 -14.83859 -0.61496 10.76763 W28 29 0.00000 6054 1777 TIP3 H2 -15.56373 0.09659 11.89001 W28 29 0.00000 6055 1778 TIP3 OH2 -11.88447 -2.43159 9.45864 W28 32 0.00000 6056 1778 TIP3 H1 -12.61044 -1.81041 9.51632 W28 32 0.00000 6057 1778 TIP3 H2 -11.10459 -1.90665 9.63877 W28 32 0.00000 6058 1779 TIP3 OH2 -15.41447 -2.88958 6.66023 W28 34 0.00000 6059 1779 TIP3 H1 -15.99691 -2.78849 7.41308 W28 34 0.00000 6060 1779 TIP3 H2 -15.44804 -2.04268 6.21541 W28 34 0.00000 6061 1780 TIP3 OH2 -18.96344 6.33110 4.49170 W28 36 0.00000 6062 1780 TIP3 H1 -18.32943 6.48129 3.79048 W28 36 0.00000 6063 1780 TIP3 H2 -18.68424 5.50951 4.89575 W28 36 0.00000 6064 1781 TIP3 OH2 -18.71193 2.92331 1.03599 W28 37 0.00000 6065 1781 TIP3 H1 -17.86698 3.32443 1.23948 W28 37 0.00000 6066 1781 TIP3 H2 -19.13773 2.81612 1.88654 W28 37 0.00000 6067 1782 TIP3 OH2 -16.82954 3.99967 9.15562 W28 38 0.00000 6068 1782 TIP3 H1 -17.64248 4.08938 9.65291 W28 38 0.00000 6069 1782 TIP3 H2 -16.96681 3.22610 8.60883 W28 38 0.00000 6070 1783 TIP3 OH2 -22.73643 2.41801 6.12795 W28 39 0.00000 6071 1783 TIP3 H1 -23.50825 2.73976 6.59377 W28 39 0.00000 6072 1783 TIP3 H2 -22.66152 2.98981 5.36397 W28 39 0.00000 6073 1784 TIP3 OH2 -23.00819 1.42437 1.28287 W28 41 0.00000 6074 1784 TIP3 H1 -23.64387 1.36905 1.99637 W28 41 0.00000 6075 1784 TIP3 H2 -23.41302 2.01307 0.64588 W28 41 0.00000 6076 1785 TIP3 OH2 -14.89118 8.65850 6.96113 W28 42 0.00000 6077 1785 TIP3 H1 -15.19217 8.17938 7.73319 W28 42 0.00000 6078 1785 TIP3 H2 -15.35726 9.49365 7.00017 W28 42 0.00000 6079 1786 TIP3 OH2 -25.10946 3.87689 6.58980 W28 43 0.00000 6080 1786 TIP3 H1 -24.42746 4.41533 6.18832 W28 43 0.00000 6081 1786 TIP3 H2 -25.84904 3.93608 5.98503 W28 43 0.00000 6082 1787 TIP3 OH2 -6.41270 9.35492 9.57309 W28 46 0.00000 6083 1787 TIP3 H1 -6.79049 9.84280 10.30485 W28 46 0.00000 6084 1787 TIP3 H2 -5.66980 8.88717 9.95458 W28 46 0.00000 6085 1788 TIP3 OH2 -24.96921 4.61309 0.21326 W28 47 0.00000 6086 1788 TIP3 H1 -24.75061 5.30479 -0.41123 W28 47 0.00000 6087 1788 TIP3 H2 -24.87023 3.80102 -0.28371 W28 47 0.00000 6088 1789 TIP3 OH2 -23.98517 8.62724 0.86170 W28 48 0.00000 6089 1789 TIP3 H1 -23.29366 8.22839 1.38986 W28 48 0.00000 6090 1789 TIP3 H2 -24.67959 8.82947 1.48868 W28 48 0.00000 6091 1790 TIP3 OH2 -15.86350 -0.78297 15.33171 W28 49 0.00000 6092 1790 TIP3 H1 -15.55316 -1.37850 14.64962 W28 49 0.00000 6093 1790 TIP3 H2 -16.77145 -0.59662 15.09267 W28 49 0.00000 6094 1791 TIP3 OH2 -20.98664 2.68941 8.65863 W28 50 0.00000 6095 1791 TIP3 H1 -21.52043 2.89462 9.42621 W28 50 0.00000 6096 1791 TIP3 H2 -21.61838 2.59154 7.94620 W28 50 0.00000 6097 1792 TIP3 OH2 -15.17175 11.86209 8.05195 W28 51 0.00000 6098 1792 TIP3 H1 -14.55060 12.43736 7.60534 W28 51 0.00000 6099 1792 TIP3 H2 -15.54523 12.40501 8.74620 W28 51 0.00000 6100 1793 TIP3 OH2 -20.18633 11.98283 3.60697 W28 52 0.00000 6101 1793 TIP3 H1 -20.55475 11.11441 3.76924 W28 52 0.00000 6102 1793 TIP3 H2 -20.46469 12.19916 2.71706 W28 52 0.00000 6103 1794 TIP3 OH2 -10.82351 12.26275 8.55645 W28 53 0.00000 6104 1794 TIP3 H1 -10.01166 11.95537 8.15317 W28 53 0.00000 6105 1794 TIP3 H2 -11.34284 11.46911 8.68551 W28 53 0.00000 6106 1795 TIP3 OH2 -12.85235 10.49081 9.20254 W28 54 0.00000 6107 1795 TIP3 H1 -13.62823 10.75014 8.70555 W28 54 0.00000 6108 1795 TIP3 H2 -12.81464 9.53893 9.10917 W28 54 0.00000 6109 1796 TIP3 OH2 -15.24675 -5.82495 7.92193 W28 55 0.00000 6110 1796 TIP3 H1 -15.19804 -4.88836 7.73053 W28 55 0.00000 6111 1796 TIP3 H2 -14.71262 -6.23679 7.24274 W28 55 0.00000 6112 1797 TIP3 OH2 -24.60655 4.05024 2.94274 W28 56 0.00000 6113 1797 TIP3 H1 -24.91503 3.16419 3.13240 W28 56 0.00000 6114 1797 TIP3 H2 -24.91226 4.22544 2.05276 W28 56 0.00000 6115 1798 TIP3 OH2 -16.34764 -1.83960 -4.33288 W28 57 0.00000 6116 1798 TIP3 H1 -16.62120 -1.33871 -5.10133 W28 57 0.00000 6117 1798 TIP3 H2 -16.93311 -1.54663 -3.63458 W28 57 0.00000 6118 1799 TIP3 OH2 -15.39627 -5.82897 -0.28477 W28 58 0.00000 6119 1799 TIP3 H1 -15.47967 -6.74797 -0.03040 W28 58 0.00000 6120 1799 TIP3 H2 -16.03687 -5.71520 -0.98684 W28 58 0.00000 6121 1800 TIP3 OH2 -14.99942 -5.00309 4.72105 W28 59 0.00000 6122 1800 TIP3 H1 -15.83192 -5.44732 4.56037 W28 59 0.00000 6123 1800 TIP3 H2 -15.24428 -4.18011 5.14412 W28 59 0.00000 6124 1801 TIP3 OH2 -6.61895 7.47589 3.72382 W28 60 0.00000 6125 1801 TIP3 H1 -5.89669 7.93346 3.29347 W28 60 0.00000 6126 1801 TIP3 H2 -6.31237 7.33197 4.61910 W28 60 0.00000 6127 1802 TIP3 OH2 -18.67213 0.71035 -0.59690 W28 62 0.00000 6128 1802 TIP3 H1 -19.55924 0.42476 -0.81527 W28 62 0.00000 6129 1802 TIP3 H2 -18.79769 1.47406 -0.03369 W28 62 0.00000 6130 1803 TIP3 OH2 -19.33138 -3.77084 4.77368 W28 65 0.00000 6131 1803 TIP3 H1 -19.68537 -4.26705 4.03563 W28 65 0.00000 6132 1803 TIP3 H2 -19.05206 -4.43867 5.39995 W28 65 0.00000 6133 1804 TIP3 OH2 -12.03704 0.89129 2.66432 W28 66 0.00000 6134 1804 TIP3 H1 -11.89267 1.83689 2.69943 W28 66 0.00000 6135 1804 TIP3 H2 -11.34879 0.56480 2.08472 W28 66 0.00000 6136 1805 TIP3 OH2 -21.52368 0.42910 -1.26090 W28 67 0.00000 6137 1805 TIP3 H1 -22.26158 0.12942 -0.72993 W28 67 0.00000 6138 1805 TIP3 H2 -21.63888 -0.01197 -2.10257 W28 67 0.00000 6139 1806 TIP3 OH2 -18.72400 3.73688 -7.49457 W28 69 0.00000 6140 1806 TIP3 H1 -18.77349 3.02783 -6.85346 W28 69 0.00000 6141 1806 TIP3 H2 -17.79573 3.79059 -7.72184 W28 69 0.00000 6142 1807 TIP3 OH2 -15.07262 6.86025 -7.67295 W28 70 0.00000 6143 1807 TIP3 H1 -14.56356 7.48613 -7.15781 W28 70 0.00000 6144 1807 TIP3 H2 -15.95897 7.22155 -7.68200 W28 70 0.00000 6145 1808 TIP3 OH2 -16.18796 -0.88542 4.82277 W28 71 0.00000 6146 1808 TIP3 H1 -15.33333 -0.98530 4.40342 W28 71 0.00000 6147 1808 TIP3 H2 -16.74357 -1.53574 4.39312 W28 71 0.00000 6148 1809 TIP3 OH2 -12.48590 -3.20366 1.73531 W28 75 0.00000 6149 1809 TIP3 H1 -13.42355 -3.33316 1.59294 W28 75 0.00000 6150 1809 TIP3 H2 -12.21774 -2.60504 1.03819 W28 75 0.00000 6151 1810 TIP3 OH2 -19.70258 1.96369 16.46693 W28 77 0.00000 6152 1810 TIP3 H1 -19.15441 2.73618 16.60482 W28 77 0.00000 6153 1810 TIP3 H2 -19.78496 1.56976 17.33541 W28 77 0.00000 6154 1811 TIP3 OH2 -25.20067 1.34175 3.05102 W28 78 0.00000 6155 1811 TIP3 H1 -25.17168 0.89309 3.89605 W28 78 0.00000 6156 1811 TIP3 H2 -26.13263 1.39446 2.83914 W28 78 0.00000 6157 1812 TIP3 OH2 -16.79663 -1.11448 0.40268 W28 81 0.00000 6158 1812 TIP3 H1 -17.57842 -0.60685 0.18508 W28 81 0.00000 6159 1812 TIP3 H2 -17.04053 -1.60659 1.18662 W28 81 0.00000 6160 1813 TIP3 OH2 -12.96113 8.38953 2.13559 W28 82 0.00000 6161 1813 TIP3 H1 -13.07377 8.51432 1.19327 W28 82 0.00000 6162 1813 TIP3 H2 -13.69791 7.83583 2.39409 W28 82 0.00000 6163 1814 TIP3 OH2 -13.76332 -0.42973 9.25298 W28 83 0.00000 6164 1814 TIP3 H1 -13.12509 0.02325 9.80406 W28 83 0.00000 6165 1814 TIP3 H2 -14.04622 0.23092 8.62073 W28 83 0.00000 6166 1815 TIP3 OH2 -19.50105 0.51473 7.01691 W28 85 0.00000 6167 1815 TIP3 H1 -20.14203 -0.16262 6.80113 W28 85 0.00000 6168 1815 TIP3 H2 -19.99302 1.15611 7.52959 W28 85 0.00000 6169 1816 TIP3 OH2 -19.82278 5.69805 0.33873 W28 87 0.00000 6170 1816 TIP3 H1 -18.92459 5.84909 0.63314 W28 87 0.00000 6171 1816 TIP3 H2 -19.81747 4.80208 0.00193 W28 87 0.00000 6172 1817 TIP3 OH2 -11.38064 9.30304 4.19997 W28 88 0.00000 6173 1817 TIP3 H1 -12.10733 9.69830 4.68155 W28 88 0.00000 6174 1817 TIP3 H2 -11.77363 8.99374 3.38381 W28 88 0.00000 6175 1818 TIP3 OH2 -24.84760 2.12595 -0.91055 W28 89 0.00000 6176 1818 TIP3 H1 -25.11418 1.21847 -0.76342 W28 89 0.00000 6177 1818 TIP3 H2 -24.76294 2.20010 -1.86111 W28 89 0.00000 6178 1819 TIP3 OH2 -21.48425 -2.01020 4.18276 W28 90 0.00000 6179 1819 TIP3 H1 -21.02957 -1.42530 3.57665 W28 90 0.00000 6180 1819 TIP3 H2 -20.78284 -2.46028 4.65359 W28 90 0.00000 6181 1820 TIP3 OH2 -18.78832 1.43865 10.14169 W28 91 0.00000 6182 1820 TIP3 H1 -19.27138 2.03942 9.57428 W28 91 0.00000 6183 1820 TIP3 H2 -19.46581 0.98598 10.64401 W28 91 0.00000 6184 1821 TIP3 OH2 -15.14323 -2.56583 13.03615 W28 93 0.00000 6185 1821 TIP3 H1 -15.54521 -1.87828 12.50519 W28 93 0.00000 6186 1821 TIP3 H2 -14.24191 -2.27153 13.16750 W28 93 0.00000 6187 1822 TIP3 OH2 -9.00257 8.22873 9.79074 W28 94 0.00000 6188 1822 TIP3 H1 -9.18200 7.59657 9.09475 W28 94 0.00000 6189 1822 TIP3 H2 -8.15821 8.61268 9.55438 W28 94 0.00000 6190 1823 TIP3 OH2 -13.84576 1.03310 6.77669 W28 95 0.00000 6191 1823 TIP3 H1 -14.36932 1.20604 5.99425 W28 95 0.00000 6192 1823 TIP3 H2 -13.06594 0.58479 6.44937 W28 95 0.00000 6193 1824 TIP3 OH2 -17.68152 8.98219 3.40196 W28 96 0.00000 6194 1824 TIP3 H1 -17.45444 9.45549 4.20236 W28 96 0.00000 6195 1824 TIP3 H2 -18.14220 9.62658 2.86460 W28 96 0.00000 6196 1825 TIP3 OH2 -15.66865 7.23082 2.65425 W28 98 0.00000 6197 1825 TIP3 H1 -16.16549 7.90042 3.12438 W28 98 0.00000 6198 1825 TIP3 H2 -16.27372 6.90752 1.98670 W28 98 0.00000 6199 1826 TIP3 OH2 -20.91874 5.61543 7.86863 W28 99 0.00000 6200 1826 TIP3 H1 -20.80624 6.22002 8.60213 W28 99 0.00000 6201 1826 TIP3 H2 -20.96087 4.74994 8.27529 W28 99 0.00000 6202 1827 TIP3 OH2 -17.91733 11.32082 4.97255 W28 100 0.00000 6203 1827 TIP3 H1 -18.62010 11.67374 4.42685 W28 100 0.00000 6204 1827 TIP3 H2 -18.18620 11.52088 5.86917 W28 100 0.00000 6205 1828 TIP3 OH2 -17.05608 2.03308 7.53092 W28 101 0.00000 6206 1828 TIP3 H1 -17.81499 1.47221 7.37058 W28 101 0.00000 6207 1828 TIP3 H2 -16.30111 1.46865 7.36460 W28 101 0.00000 6208 1829 TIP3 OH2 -8.61310 9.20222 5.97685 W28 102 0.00000 6209 1829 TIP3 H1 -8.78712 8.29487 6.22716 W28 102 0.00000 6210 1829 TIP3 H2 -9.27231 9.39814 5.31105 W28 102 0.00000 6211 1830 TIP3 OH2 -18.44744 2.53525 13.16099 W28 103 0.00000 6212 1830 TIP3 H1 -18.33307 2.69559 12.22428 W28 103 0.00000 6213 1830 TIP3 H2 -18.06468 3.30362 13.58447 W28 103 0.00000 6214 1831 TIP3 OH2 -7.23790 10.55323 12.03232 W28 104 0.00000 6215 1831 TIP3 H1 -6.84416 10.78923 12.87227 W28 104 0.00000 6216 1831 TIP3 H2 -8.11238 10.94152 12.05966 W28 104 0.00000 6217 1832 TIP3 OH2 -21.71482 -1.62195 -3.46636 W28 105 0.00000 6218 1832 TIP3 H1 -22.37778 -1.05360 -3.85838 W28 105 0.00000 6219 1832 TIP3 H2 -21.77422 -2.43802 -3.96307 W28 105 0.00000 6220 1833 TIP3 OH2 -9.07774 6.54385 6.41120 W28 106 0.00000 6221 1833 TIP3 H1 -9.39062 5.78014 5.92636 W28 106 0.00000 6222 1833 TIP3 H2 -8.63612 6.17737 7.17728 W28 106 0.00000 6223 1834 TIP3 OH2 -24.83878 7.40733 3.64906 W28 107 0.00000 6224 1834 TIP3 H1 -24.36282 6.73450 3.16223 W28 107 0.00000 6225 1834 TIP3 H2 -25.35490 6.91936 4.29072 W28 107 0.00000 6226 1835 TIP3 OH2 -11.88779 12.94836 2.26077 W28 108 0.00000 6227 1835 TIP3 H1 -11.11433 12.73465 1.73893 W28 108 0.00000 6228 1835 TIP3 H2 -12.49294 12.22425 2.10057 W28 108 0.00000 6229 1836 TIP3 OH2 -14.09071 11.37876 2.08449 W28 109 0.00000 6230 1836 TIP3 H1 -14.34623 10.45642 2.09904 W28 109 0.00000 6231 1836 TIP3 H2 -14.59925 11.77981 2.78930 W28 109 0.00000 6232 1837 TIP3 OH2 -15.06550 -3.96594 1.81385 W28 111 0.00000 6233 1837 TIP3 H1 -15.05758 -4.58294 2.54561 W28 111 0.00000 6234 1837 TIP3 H2 -15.13410 -4.51818 1.03504 W28 111 0.00000 6235 1838 TIP3 OH2 -13.33097 11.09814 5.29101 W28 113 0.00000 6236 1838 TIP3 H1 -14.07584 11.66663 5.09554 W28 113 0.00000 6237 1838 TIP3 H2 -12.70958 11.66525 5.74763 W28 113 0.00000 6238 1839 TIP3 OH2 -17.58535 -2.63959 2.77705 W28 115 0.00000 6239 1839 TIP3 H1 -18.20187 -2.80160 3.49111 W28 115 0.00000 6240 1839 TIP3 H2 -16.99554 -3.39330 2.79358 W28 115 0.00000 6241 1840 TIP3 OH2 -15.44113 12.69339 4.20626 W28 117 0.00000 6242 1840 TIP3 H1 -15.26664 13.50676 4.67976 W28 117 0.00000 6243 1840 TIP3 H2 -16.26485 12.37349 4.57420 W28 117 0.00000 6244 1841 TIP3 OH2 -13.30795 -6.65974 5.79645 W28 119 0.00000 6245 1841 TIP3 H1 -13.94787 -6.12107 5.33107 W28 119 0.00000 6246 1841 TIP3 H2 -12.48560 -6.17599 5.71923 W28 119 0.00000 6247 1842 TIP3 OH2 -11.55374 0.24247 5.39649 W28 120 0.00000 6248 1842 TIP3 H1 -11.72812 0.45067 4.47863 W28 120 0.00000 6249 1842 TIP3 H2 -11.35415 -0.69368 5.39650 W28 120 0.00000 6250 1843 TIP3 OH2 -15.60500 12.66169 -0.15626 W28 121 0.00000 6251 1843 TIP3 H1 -15.62755 12.74647 0.79691 W28 121 0.00000 6252 1843 TIP3 H2 -14.67476 12.69958 -0.37861 W28 121 0.00000 6253 1844 TIP3 OH2 -13.69312 8.92195 -6.46414 W28 122 0.00000 6254 1844 TIP3 H1 -14.15518 9.44394 -5.80819 W28 122 0.00000 6255 1844 TIP3 H2 -14.02654 9.24070 -7.30286 W28 122 0.00000 6256 1845 TIP3 OH2 -14.99641 4.96959 12.83242 W28 123 0.00000 6257 1845 TIP3 H1 -14.88822 5.91179 12.96198 W28 123 0.00000 6258 1845 TIP3 H2 -14.53400 4.57129 13.56982 W28 123 0.00000 6259 1846 TIP3 OH2 -17.19694 -0.60841 -6.51320 W28 124 0.00000 6260 1846 TIP3 H1 -16.75104 0.12576 -6.93555 W28 124 0.00000 6261 1846 TIP3 H2 -17.43251 -1.19277 -7.23381 W28 124 0.00000 6262 1847 TIP3 OH2 -19.99734 11.60157 0.78769 W28 125 0.00000 6263 1847 TIP3 H1 -20.72762 12.17570 0.55682 W28 125 0.00000 6264 1847 TIP3 H2 -19.40425 12.15859 1.29185 W28 125 0.00000 6265 1848 TIP3 OH2 -26.55095 2.69406 8.71611 W28 127 0.00000 6266 1848 TIP3 H1 -26.11345 1.90492 9.03561 W28 127 0.00000 6267 1848 TIP3 H2 -25.86994 3.17043 8.24122 W28 127 0.00000 6268 1849 TIP3 OH2 -11.24244 13.41867 4.90786 W28 128 0.00000 6269 1849 TIP3 H1 -11.67558 12.99829 4.16495 W28 128 0.00000 6270 1849 TIP3 H2 -10.40306 12.96502 4.98439 W28 128 0.00000 6271 1850 TIP3 OH2 -20.77917 0.26908 11.59715 W28 129 0.00000 6272 1850 TIP3 H1 -20.88967 -0.34707 10.87299 W28 129 0.00000 6273 1850 TIP3 H2 -20.74712 -0.28252 12.37877 W28 129 0.00000 6274 1851 TIP3 OH2 -8.26778 11.60603 7.93331 W28 130 0.00000 6275 1851 TIP3 H1 -8.11605 10.68024 7.74325 W28 130 0.00000 6276 1851 TIP3 H2 -7.47836 11.88876 8.39494 W28 130 0.00000 6277 1852 TIP3 OH2 -27.53088 1.29549 1.96116 W28 131 0.00000 6278 1852 TIP3 H1 -26.94331 0.83708 1.36047 W28 131 0.00000 6279 1852 TIP3 H2 -27.81594 2.06890 1.47454 W28 131 0.00000 6280 1853 TIP3 OH2 -12.83945 11.98912 -0.87138 W28 132 0.00000 6281 1853 TIP3 H1 -12.88559 11.08453 -1.18092 W28 132 0.00000 6282 1853 TIP3 H2 -11.90473 12.15220 -0.74518 W28 132 0.00000 6283 1854 TIP3 OH2 -22.70550 -0.56493 6.18899 W28 133 0.00000 6284 1854 TIP3 H1 -22.44334 0.29666 5.86470 W28 133 0.00000 6285 1854 TIP3 H2 -22.23228 -1.18455 5.63369 W28 133 0.00000 6286 1855 TIP3 OH2 -17.10988 -0.78810 9.08357 W28 135 0.00000 6287 1855 TIP3 H1 -16.72928 -0.56461 9.93294 W28 135 0.00000 6288 1855 TIP3 H2 -17.85096 -0.18989 8.98777 W28 135 0.00000 6289 1856 TIP3 OH2 -25.65584 -0.46179 0.45646 W28 136 0.00000 6290 1856 TIP3 H1 -25.01736 -1.08877 0.11666 W28 136 0.00000 6291 1856 TIP3 H2 -26.44807 -0.97965 0.59939 W28 136 0.00000 6292 1857 TIP3 OH2 -20.94354 -0.68795 1.55162 W28 138 0.00000 6293 1857 TIP3 H1 -21.76766 -0.21902 1.68263 W28 138 0.00000 6294 1857 TIP3 H2 -20.26567 -0.03281 1.71750 W28 138 0.00000 6295 1858 TIP3 OH2 -20.60582 -2.89852 7.63835 W28 140 0.00000 6296 1858 TIP3 H1 -19.98011 -3.14202 8.32057 W28 140 0.00000 6297 1858 TIP3 H2 -20.88857 -3.73255 7.26327 W28 140 0.00000 6298 1859 TIP3 OH2 -20.55719 -3.28589 0.37536 W28 142 0.00000 6299 1859 TIP3 H1 -19.81282 -3.42048 -0.21117 W28 142 0.00000 6300 1859 TIP3 H2 -20.44223 -2.39600 0.70871 W28 142 0.00000 6301 1860 TIP3 OH2 -18.06716 -2.83885 -1.27229 W28 143 0.00000 6302 1860 TIP3 H1 -17.42584 -2.28161 -0.83137 W28 143 0.00000 6303 1860 TIP3 H2 -18.31746 -2.34513 -2.05320 W28 143 0.00000 6304 1861 TIP3 OH2 -18.98549 0.10060 3.48852 W28 144 0.00000 6305 1861 TIP3 H1 -18.05094 0.12842 3.69360 W28 144 0.00000 6306 1861 TIP3 H2 -19.31185 0.96507 3.73837 W28 144 0.00000 6307 1862 TIP3 OH2 -18.66582 -6.18017 6.65190 W28 145 0.00000 6308 1862 TIP3 H1 -18.15302 -6.79056 6.12209 W28 145 0.00000 6309 1862 TIP3 H2 -18.22875 -6.17578 7.50346 W28 145 0.00000 6310 1863 TIP3 OH2 -17.43569 -3.47824 8.74782 W28 146 0.00000 6311 1863 TIP3 H1 -17.47477 -2.52636 8.84058 W28 146 0.00000 6312 1863 TIP3 H2 -16.68259 -3.74027 9.27734 W28 146 0.00000 6313 1864 TIP3 OH2 -23.24526 -3.25424 0.79720 W28 147 0.00000 6314 1864 TIP3 H1 -23.43900 -3.21340 -0.13930 W28 147 0.00000 6315 1864 TIP3 H2 -22.28976 -3.28760 0.84337 W28 147 0.00000 6316 1865 TIP3 OH2 -16.96989 -5.09056 -2.28709 W28 148 0.00000 6317 1865 TIP3 H1 -17.28044 -4.35675 -1.75670 W28 148 0.00000 6318 1865 TIP3 H2 -17.02351 -4.77442 -3.18898 W28 148 0.00000 6319 1866 TIP3 OH2 -19.94360 -5.00678 2.62458 W28 149 0.00000 6320 1866 TIP3 H1 -20.62846 -5.67551 2.62188 W28 149 0.00000 6321 1866 TIP3 H2 -20.05701 -4.54376 1.79454 W28 149 0.00000 6322 1867 TIP3 OH2 -17.22584 -5.87733 3.54504 W28 150 0.00000 6323 1867 TIP3 H1 -17.95636 -5.62842 2.97882 W28 150 0.00000 6324 1867 TIP3 H2 -17.24485 -6.83430 3.55456 W28 150 0.00000 6325 1868 TIP3 OH2 -17.01791 -8.66944 4.39227 W28 151 0.00000 6326 1868 TIP3 H1 -16.76116 -9.26814 3.69094 W28 151 0.00000 6327 1868 TIP3 H2 -17.89563 -8.95679 4.64378 W28 151 0.00000 6328 1869 TIP3 OH2 -23.56818 -3.83706 -1.90087 W28 152 0.00000 6329 1869 TIP3 H1 -22.78473 -3.97174 -2.43406 W28 152 0.00000 6330 1869 TIP3 H2 -24.05930 -4.65433 -1.98527 W28 152 0.00000 6331 1870 TIP3 OH2 -18.36746 -7.41620 -1.71964 W28 153 0.00000 6332 1870 TIP3 H1 -17.67024 -8.07060 -1.67629 W28 153 0.00000 6333 1870 TIP3 H2 -17.91458 -6.59553 -1.91362 W28 153 0.00000 6334 1871 TIP3 OH2 -20.06166 -7.78131 0.32263 W28 154 0.00000 6335 1871 TIP3 H1 -19.44420 -7.50769 -0.35568 W28 154 0.00000 6336 1871 TIP3 H2 -20.67242 -7.04845 0.40094 W28 154 0.00000 6337 1872 TIP3 OH2 -14.77610 14.84105 5.66762 W28 155 0.00000 6338 1872 TIP3 H1 -14.30257 14.53938 6.44286 W28 155 0.00000 6339 1872 TIP3 H2 -14.76071 15.79586 5.73346 W28 155 0.00000 6340 1873 TIP3 OH2 -16.93111 13.75393 -2.36820 W28 156 0.00000 6341 1873 TIP3 H1 -16.53039 13.31962 -1.61520 W28 156 0.00000 6342 1873 TIP3 H2 -16.25293 13.73776 -3.04350 W28 156 0.00000 6343 1874 TIP3 OH2 -23.01428 14.41455 2.01887 W28 157 0.00000 6344 1874 TIP3 H1 -22.93661 14.67768 1.10183 W28 157 0.00000 6345 1874 TIP3 H2 -22.94250 13.46020 2.00160 W28 157 0.00000 6346 1875 TIP3 OH2 -22.99765 11.64196 1.92082 W28 158 0.00000 6347 1875 TIP3 H1 -23.04179 11.05187 1.16843 W28 158 0.00000 6348 1875 TIP3 H2 -23.54103 11.22184 2.58750 W28 158 0.00000 6349 1876 TIP3 OH2 -13.55552 4.34525 15.15307 W28 159 0.00000 6350 1876 TIP3 H1 -14.25732 3.84962 15.57505 W28 159 0.00000 6351 1876 TIP3 H2 -13.05734 4.72121 15.87879 W28 159 0.00000 6352 1877 TIP3 OH2 -15.65031 2.25428 15.54730 W28 160 0.00000 6353 1877 TIP3 H1 -15.48236 2.17377 14.60840 W28 160 0.00000 6354 1877 TIP3 H2 -15.60489 1.35682 15.87705 W28 160 0.00000 6355 1878 TIP3 OH2 -18.37178 -3.12811 13.25367 W28 161 0.00000 6356 1878 TIP3 H1 -19.17685 -3.17232 12.73780 W28 161 0.00000 6357 1878 TIP3 H2 -18.67115 -3.04574 14.15910 W28 161 0.00000 6358 1879 TIP3 OH2 -11.95735 0.92653 11.04854 W28 164 0.00000 6359 1879 TIP3 H1 -11.08865 0.58381 11.25860 W28 164 0.00000 6360 1879 TIP3 H2 -12.11765 1.59732 11.71227 W28 164 0.00000 6361 1880 TIP3 OH2 -15.46368 1.81172 12.72680 W28 165 0.00000 6362 1880 TIP3 H1 -16.42072 1.82730 12.72043 W28 165 0.00000 6363 1880 TIP3 H2 -15.21255 2.14022 11.86353 W28 165 0.00000 6364 1881 TIP3 OH2 -22.27053 5.36467 -1.82503 W28 169 0.00000 6365 1881 TIP3 H1 -21.49658 5.87250 -2.06862 W28 169 0.00000 6366 1881 TIP3 H2 -21.94533 4.71628 -1.20049 W28 169 0.00000 6367 1882 TIP3 OH2 -15.43949 -3.73323 10.52657 W28 170 0.00000 6368 1882 TIP3 H1 -14.93390 -4.54514 10.48911 W28 170 0.00000 6369 1882 TIP3 H2 -15.35194 -3.43758 11.43273 W28 170 0.00000 6370 1883 TIP3 OH2 -14.19891 -6.08678 10.35427 W28 171 0.00000 6371 1883 TIP3 H1 -14.53784 -5.94117 9.47102 W28 171 0.00000 6372 1883 TIP3 H2 -13.50021 -6.73097 10.24003 W28 171 0.00000 6373 1884 TIP3 OH2 -10.69986 -2.26563 5.71976 W28 174 0.00000 6374 1884 TIP3 H1 -10.12572 -2.41230 6.47149 W28 174 0.00000 6375 1884 TIP3 H2 -11.50529 -2.73460 5.93784 W28 174 0.00000 6376 1885 TIP3 OH2 -12.77653 -3.63496 7.15556 W28 175 0.00000 6377 1885 TIP3 H1 -13.67178 -3.41930 6.89433 W28 175 0.00000 6378 1885 TIP3 H2 -12.61505 -3.09372 7.92834 W28 175 0.00000 6379 1886 TIP3 OH2 -25.05630 -1.74808 -3.19942 W28 176 0.00000 6380 1886 TIP3 H1 -24.56012 -2.29356 -2.58910 W28 176 0.00000 6381 1886 TIP3 H2 -25.36555 -2.35781 -3.86935 W28 176 0.00000 6382 1887 TIP3 OH2 -12.81677 -11.97834 6.44884 W28 177 0.00000 6383 1887 TIP3 H1 -11.96207 -12.12699 6.04436 W28 177 0.00000 6384 1887 TIP3 H2 -12.70478 -11.17589 6.95850 W28 177 0.00000 6385 1888 TIP3 OH2 -18.94037 1.45876 -5.88004 W28 179 0.00000 6386 1888 TIP3 H1 -18.58100 0.58122 -6.01045 W28 179 0.00000 6387 1888 TIP3 H2 -19.15539 1.49396 -4.94798 W28 179 0.00000 6388 1889 TIP3 OH2 -21.78347 3.31093 -4.65482 W28 180 0.00000 6389 1889 TIP3 H1 -20.85463 3.52684 -4.73773 W28 180 0.00000 6390 1889 TIP3 H2 -22.00949 3.56316 -3.75955 W28 180 0.00000 6391 1890 TIP3 OH2 -12.73953 -9.31136 6.98467 W28 181 0.00000 6392 1890 TIP3 H1 -13.41762 -8.80131 6.54164 W28 181 0.00000 6393 1890 TIP3 H2 -11.95649 -9.18642 6.44852 W28 181 0.00000 6394 1891 TIP3 OH2 -16.36316 4.67550 -8.92236 W28 183 0.00000 6395 1891 TIP3 H1 -16.96319 5.20929 -9.44318 W28 183 0.00000 6396 1891 TIP3 H2 -15.76202 5.30673 -8.52691 W28 183 0.00000 6397 1892 TIP3 OH2 -12.80789 8.44422 11.56282 W28 184 0.00000 6398 1892 TIP3 H1 -11.85171 8.40032 11.56312 W28 184 0.00000 6399 1892 TIP3 H2 -13.06106 8.16899 12.44394 W28 184 0.00000 6400 1893 TIP3 OH2 -21.52961 -1.71659 -7.00666 W28 185 0.00000 6401 1893 TIP3 H1 -22.31964 -2.08764 -7.39957 W28 185 0.00000 6402 1893 TIP3 H2 -21.64740 -0.76947 -7.07961 W28 185 0.00000 6403 1894 TIP3 OH2 -27.22317 3.57333 4.61977 W28 186 0.00000 6404 1894 TIP3 H1 -27.52154 4.27036 4.03552 W28 186 0.00000 6405 1894 TIP3 H2 -27.98044 2.99475 4.70941 W28 186 0.00000 6406 1895 TIP3 OH2 -23.08395 5.73238 5.99151 W28 187 0.00000 6407 1895 TIP3 H1 -23.44880 6.60227 6.15397 W28 187 0.00000 6408 1895 TIP3 H2 -22.30822 5.68924 6.55063 W28 187 0.00000 6409 1896 TIP3 OH2 -22.64910 3.25509 10.78473 W28 188 0.00000 6410 1896 TIP3 H1 -23.00016 2.38589 10.97831 W28 188 0.00000 6411 1896 TIP3 H2 -21.97337 3.39423 11.44824 W28 188 0.00000 6412 1897 TIP3 OH2 -21.01046 3.83458 12.95340 W28 189 0.00000 6413 1897 TIP3 H1 -20.18823 3.34715 12.90278 W28 189 0.00000 6414 1897 TIP3 H2 -21.46778 3.45643 13.70446 W28 189 0.00000 6415 1898 TIP3 OH2 -11.31507 -8.79786 4.31784 W28 190 0.00000 6416 1898 TIP3 H1 -11.70682 -8.05193 3.86359 W28 190 0.00000 6417 1898 TIP3 H2 -10.55106 -9.02685 3.78861 W28 190 0.00000 6418 1899 TIP3 OH2 -25.93332 8.73773 6.44606 W28 191 0.00000 6419 1899 TIP3 H1 -26.25944 9.57207 6.10881 W28 191 0.00000 6420 1899 TIP3 H2 -26.65914 8.12698 6.31811 W28 191 0.00000 6421 1900 TIP3 OH2 -23.50842 8.29576 7.50107 W28 192 0.00000 6422 1900 TIP3 H1 -24.37823 8.36258 7.10712 W28 192 0.00000 6423 1900 TIP3 H2 -23.20490 9.20111 7.56757 W28 192 0.00000 6424 1901 TIP3 OH2 -19.78108 7.20043 10.29190 W28 193 0.00000 6425 1901 TIP3 H1 -19.82569 8.14139 10.12210 W28 193 0.00000 6426 1901 TIP3 H2 -20.35708 7.06477 11.04427 W28 193 0.00000 6427 1902 TIP3 OH2 -18.48533 5.04651 11.41064 W28 194 0.00000 6428 1902 TIP3 H1 -18.96623 5.63526 10.82897 W28 194 0.00000 6429 1902 TIP3 H2 -18.44006 5.51614 12.24347 W28 194 0.00000 6430 1903 TIP3 OH2 -17.46903 5.02853 14.29163 W28 195 0.00000 6431 1903 TIP3 H1 -17.75518 5.84007 14.71086 W28 195 0.00000 6432 1903 TIP3 H2 -16.65005 5.26044 13.85378 W28 195 0.00000 6433 1904 TIP3 OH2 -23.80465 10.07484 4.10816 W28 196 0.00000 6434 1904 TIP3 H1 -24.24657 9.22583 4.09798 W28 196 0.00000 6435 1904 TIP3 H2 -22.88944 9.86676 4.29609 W28 196 0.00000 6436 1905 TIP3 OH2 -21.05039 9.39766 4.22728 W28 197 0.00000 6437 1905 TIP3 H1 -21.00399 8.74673 3.52702 W28 197 0.00000 6438 1905 TIP3 H2 -20.85835 8.90552 5.02550 W28 197 0.00000 6439 1906 TIP3 OH2 -20.08140 8.29933 6.51500 W28 198 0.00000 6440 1906 TIP3 H1 -19.45238 7.82768 5.96901 W28 198 0.00000 6441 1906 TIP3 H2 -20.66325 7.61874 6.85332 W28 198 0.00000 6442 1907 TIP3 OH2 -8.40919 -4.90809 1.21571 W28 200 0.00000 6443 1907 TIP3 H1 -7.85460 -4.40972 1.81594 W28 200 0.00000 6444 1907 TIP3 H2 -8.93501 -4.24507 0.76834 W28 200 0.00000 6445 1908 TIP3 OH2 -15.60157 1.24213 -7.74076 W28 202 0.00000 6446 1908 TIP3 H1 -15.70314 1.68307 -8.58425 W28 202 0.00000 6447 1908 TIP3 H2 -14.98827 0.52828 -7.91545 W28 202 0.00000 6448 1909 TIP3 OH2 -19.49279 14.35965 0.81517 W28 207 0.00000 6449 1909 TIP3 H1 -19.49177 15.00757 0.11059 W28 207 0.00000 6450 1909 TIP3 H2 -19.98671 14.77477 1.52222 W28 207 0.00000 6451 1910 TIP3 OH2 -12.91813 13.27945 6.99694 W28 210 0.00000 6452 1910 TIP3 H1 -12.34425 13.35405 7.75938 W28 210 0.00000 6453 1910 TIP3 H2 -12.39360 13.61150 6.26835 W28 210 0.00000 6454 1911 TIP3 OH2 -10.08591 8.96574 12.07130 W28 211 0.00000 6455 1911 TIP3 H1 -9.58948 8.90867 11.25490 W28 211 0.00000 6456 1911 TIP3 H2 -9.97577 9.87288 12.35624 W28 211 0.00000 6457 1912 TIP3 OH2 -22.14618 -4.74609 -4.25356 W28 212 0.00000 6458 1912 TIP3 H1 -22.43004 -5.42951 -4.86069 W28 212 0.00000 6459 1912 TIP3 H2 -21.73830 -5.22204 -3.53015 W28 212 0.00000 6460 1913 TIP3 OH2 -21.63808 -6.86063 -2.85931 W28 213 0.00000 6461 1913 TIP3 H1 -20.82474 -7.21963 -2.50461 W28 213 0.00000 6462 1913 TIP3 H2 -21.95792 -7.53618 -3.45729 W28 213 0.00000 6463 1914 TIP3 OH2 -16.60421 16.35019 1.64904 W28 214 0.00000 6464 1914 TIP3 H1 -17.46021 16.04802 1.95264 W28 214 0.00000 6465 1914 TIP3 H2 -16.00951 15.62755 1.84991 W28 214 0.00000 6466 1915 TIP3 OH2 -15.92296 -10.23421 2.37062 W28 215 0.00000 6467 1915 TIP3 H1 -16.29901 -11.11291 2.42241 W28 215 0.00000 6468 1915 TIP3 H2 -15.10324 -10.29468 2.86116 W28 215 0.00000 6469 1916 TIP3 OH2 -18.29137 0.29390 14.76726 W28 216 0.00000 6470 1916 TIP3 H1 -18.40388 0.77700 13.94861 W28 216 0.00000 6471 1916 TIP3 H2 -18.79402 0.79269 15.41129 W28 216 0.00000 6472 1917 TIP3 OH2 -25.14464 -8.22297 10.68715 W29 1 0.00000 6473 1917 TIP3 H1 -25.31165 -7.53527 11.33167 W29 1 0.00000 6474 1917 TIP3 H2 -25.03964 -7.75509 9.85873 W29 1 0.00000 6475 1918 TIP3 OH2 -27.88679 -10.64318 10.61889 W29 2 0.00000 6476 1918 TIP3 H1 -28.16681 -11.53132 10.39746 W29 2 0.00000 6477 1918 TIP3 H2 -27.43209 -10.33269 9.83590 W29 2 0.00000 6478 1919 TIP3 OH2 -25.26346 -8.78683 14.48277 W29 4 0.00000 6479 1919 TIP3 H1 -25.61752 -9.42056 13.85887 W29 4 0.00000 6480 1919 TIP3 H2 -25.93224 -8.72186 15.16448 W29 4 0.00000 6481 1920 TIP3 OH2 -30.87420 -5.80809 0.87662 W29 6 0.00000 6482 1920 TIP3 H1 -31.44236 -5.08272 1.13598 W29 6 0.00000 6483 1920 TIP3 H2 -30.71126 -5.66385 -0.05551 W29 6 0.00000 6484 1921 TIP3 OH2 -22.04088 -17.81602 11.76519 W29 10 0.00000 6485 1921 TIP3 H1 -22.70205 -17.91629 12.45005 W29 10 0.00000 6486 1921 TIP3 H2 -21.42898 -17.16854 12.11529 W29 10 0.00000 6487 1922 TIP3 OH2 -26.29788 -13.75803 9.76776 W29 11 0.00000 6488 1922 TIP3 H1 -25.90083 -14.44987 9.23867 W29 11 0.00000 6489 1922 TIP3 H2 -25.81860 -12.96567 9.52551 W29 11 0.00000 6490 1923 TIP3 OH2 -28.41020 -10.92354 3.02956 W29 12 0.00000 6491 1923 TIP3 H1 -28.38916 -10.08576 3.49208 W29 12 0.00000 6492 1923 TIP3 H2 -28.10863 -10.71691 2.14492 W29 12 0.00000 6493 1924 TIP3 OH2 -22.23942 -12.34447 7.73173 W29 13 0.00000 6494 1924 TIP3 H1 -22.11541 -13.19557 8.15182 W29 13 0.00000 6495 1924 TIP3 H2 -21.65685 -11.75394 8.20934 W29 13 0.00000 6496 1925 TIP3 OH2 -28.52622 -8.86945 6.83754 W29 15 0.00000 6497 1925 TIP3 H1 -28.27960 -9.76539 7.06710 W29 15 0.00000 6498 1925 TIP3 H2 -28.43450 -8.83174 5.88549 W29 15 0.00000 6499 1926 TIP3 OH2 -23.76320 -18.45188 13.75677 W29 16 0.00000 6500 1926 TIP3 H1 -24.37803 -17.72010 13.70467 W29 16 0.00000 6501 1926 TIP3 H2 -24.31152 -19.21287 13.94778 W29 16 0.00000 6502 1927 TIP3 OH2 -31.55874 -13.96443 2.87294 W29 17 0.00000 6503 1927 TIP3 H1 -31.37038 -13.02718 2.82496 W29 17 0.00000 6504 1927 TIP3 H2 -32.51095 -14.02218 2.79442 W29 17 0.00000 6505 1928 TIP3 OH2 -25.50872 -5.78328 11.96698 W29 18 0.00000 6506 1928 TIP3 H1 -25.03058 -5.33242 11.27104 W29 18 0.00000 6507 1928 TIP3 H2 -26.05226 -5.10293 12.36437 W29 18 0.00000 6508 1929 TIP3 OH2 -22.14756 -14.72552 9.09511 W29 20 0.00000 6509 1929 TIP3 H1 -22.39088 -15.51930 8.61873 W29 20 0.00000 6510 1929 TIP3 H2 -22.20979 -14.97103 10.01819 W29 20 0.00000 6511 1930 TIP3 OH2 -31.09512 -11.20236 3.18096 W29 21 0.00000 6512 1930 TIP3 H1 -31.14578 -11.23389 4.13630 W29 21 0.00000 6513 1930 TIP3 H2 -30.15870 -11.25051 2.98857 W29 21 0.00000 6514 1931 TIP3 OH2 -27.10059 -9.29666 16.83264 W29 24 0.00000 6515 1931 TIP3 H1 -27.85560 -9.05165 16.29771 W29 24 0.00000 6516 1931 TIP3 H2 -27.12685 -8.69348 17.57540 W29 24 0.00000 6517 1932 TIP3 OH2 -23.94057 -18.15081 9.69658 W29 25 0.00000 6518 1932 TIP3 H1 -24.60961 -17.47306 9.60038 W29 25 0.00000 6519 1932 TIP3 H2 -23.27236 -17.75110 10.25333 W29 25 0.00000 6520 1933 TIP3 OH2 -26.27792 -15.40457 2.91176 W29 26 0.00000 6521 1933 TIP3 H1 -26.00406 -15.96153 2.18305 W29 26 0.00000 6522 1933 TIP3 H2 -27.14086 -15.07991 2.65454 W29 26 0.00000 6523 1934 TIP3 OH2 -26.60974 -5.27658 15.73000 W29 27 0.00000 6524 1934 TIP3 H1 -25.76715 -5.56643 15.38034 W29 27 0.00000 6525 1934 TIP3 H2 -26.38764 -4.57021 16.33659 W29 27 0.00000 6526 1935 TIP3 OH2 -24.14269 -6.06833 14.60656 W29 28 0.00000 6527 1935 TIP3 H1 -23.67677 -6.03488 13.77108 W29 28 0.00000 6528 1935 TIP3 H2 -24.51141 -6.95101 14.64055 W29 28 0.00000 6529 1936 TIP3 OH2 -28.19247 -13.23746 17.60080 W29 29 0.00000 6530 1936 TIP3 H1 -27.40927 -13.18564 17.05295 W29 29 0.00000 6531 1936 TIP3 H2 -28.13440 -12.47408 18.17534 W29 29 0.00000 6532 1937 TIP3 OH2 -24.04649 -6.60207 8.48133 W29 30 0.00000 6533 1937 TIP3 H1 -24.46448 -5.77364 8.24636 W29 30 0.00000 6534 1937 TIP3 H2 -23.16418 -6.35551 8.75874 W29 30 0.00000 6535 1938 TIP3 OH2 -21.52202 -5.67409 6.50173 W29 31 0.00000 6536 1938 TIP3 H1 -21.49653 -6.32690 7.20131 W29 31 0.00000 6537 1938 TIP3 H2 -20.67377 -5.75616 6.06588 W29 31 0.00000 6538 1939 TIP3 OH2 -24.45514 -15.00226 15.74397 W29 32 0.00000 6539 1939 TIP3 H1 -25.18112 -14.38109 15.80164 W29 32 0.00000 6540 1939 TIP3 H2 -23.67526 -14.47732 15.92410 W29 32 0.00000 6541 1940 TIP3 OH2 -22.48015 -8.23217 11.20859 W29 33 0.00000 6542 1940 TIP3 H1 -23.42625 -8.21800 11.06392 W29 33 0.00000 6543 1940 TIP3 H2 -22.24726 -9.16023 11.18250 W29 33 0.00000 6544 1941 TIP3 OH2 -27.98514 -15.46025 12.94556 W29 34 0.00000 6545 1941 TIP3 H1 -28.56758 -15.35916 13.69841 W29 34 0.00000 6546 1941 TIP3 H2 -28.01871 -14.61335 12.50074 W29 34 0.00000 6547 1942 TIP3 OH2 -29.51511 -6.28188 6.68675 W29 35 0.00000 6548 1942 TIP3 H1 -29.06635 -5.87330 5.94655 W29 35 0.00000 6549 1942 TIP3 H2 -29.13053 -7.15631 6.74756 W29 35 0.00000 6550 1943 TIP3 OH2 -21.41036 -6.87104 9.12579 W29 40 0.00000 6551 1943 TIP3 H1 -21.57193 -7.46213 9.86114 W29 40 0.00000 6552 1943 TIP3 H2 -20.80903 -6.21297 9.47450 W29 40 0.00000 6553 1944 TIP3 OH2 -27.46186 -3.91218 13.24645 W29 42 0.00000 6554 1944 TIP3 H1 -27.76284 -4.39129 14.01852 W29 42 0.00000 6555 1944 TIP3 H2 -27.92793 -3.07702 13.28550 W29 42 0.00000 6556 1945 TIP3 OH2 -16.06979 -13.47927 6.02937 W29 44 0.00000 6557 1945 TIP3 H1 -16.91275 -13.28340 5.62037 W29 44 0.00000 6558 1945 TIP3 H2 -15.91117 -12.74103 6.61762 W29 44 0.00000 6559 1946 TIP3 OH2 -28.27093 -4.95854 4.58964 W29 45 0.00000 6560 1946 TIP3 H1 -28.39432 -4.02189 4.74355 W29 45 0.00000 6561 1946 TIP3 H2 -28.39222 -5.06473 3.64611 W29 45 0.00000 6562 1947 TIP3 OH2 -18.98337 -3.21575 15.85842 W29 46 0.00000 6563 1947 TIP3 H1 -19.36116 -2.72787 16.59018 W29 46 0.00000 6564 1947 TIP3 H2 -18.24047 -3.68350 16.23991 W29 46 0.00000 6565 1948 TIP3 OH2 -23.39418 -0.30792 14.84178 W29 53 0.00000 6566 1948 TIP3 H1 -22.58233 -0.61530 14.43850 W29 53 0.00000 6567 1948 TIP3 H2 -23.91351 -1.10156 14.97084 W29 53 0.00000 6568 1949 TIP3 OH2 -25.42303 -2.07987 15.48786 W29 54 0.00000 6569 1949 TIP3 H1 -26.19890 -1.82053 14.99088 W29 54 0.00000 6570 1949 TIP3 H2 -25.38531 -3.03174 15.39450 W29 54 0.00000 6571 1950 TIP3 OH2 -28.91832 -14.41028 1.95244 W29 57 0.00000 6572 1950 TIP3 H1 -29.19187 -13.90938 1.18400 W29 57 0.00000 6573 1950 TIP3 H2 -29.50378 -14.11730 2.65075 W29 57 0.00000 6574 1951 TIP3 OH2 -27.96694 -18.39964 6.00056 W29 58 0.00000 6575 1951 TIP3 H1 -28.05035 -19.31865 6.25492 W29 58 0.00000 6576 1951 TIP3 H2 -28.60755 -18.28588 5.29848 W29 58 0.00000 6577 1952 TIP3 OH2 -19.18962 -5.09478 10.00915 W29 60 0.00000 6578 1952 TIP3 H1 -18.46736 -4.63721 9.57880 W29 60 0.00000 6579 1952 TIP3 H2 -18.88304 -5.23870 10.90443 W29 60 0.00000 6580 1953 TIP3 OH2 -20.54662 -8.14871 3.19830 W29 61 0.00000 6581 1953 TIP3 H1 -21.33723 -8.66664 3.34966 W29 61 0.00000 6582 1953 TIP3 H2 -20.22641 -8.44317 2.34567 W29 61 0.00000 6583 1954 TIP3 OH2 -27.92653 -8.31995 4.13771 W29 63 0.00000 6584 1954 TIP3 H1 -28.36913 -8.21023 3.29610 W29 63 0.00000 6585 1954 TIP3 H2 -26.99667 -8.21766 3.93498 W29 63 0.00000 6586 1955 TIP3 OH2 -23.58623 -9.09917 7.71112 W29 64 0.00000 6587 1955 TIP3 H1 -23.93615 -8.22526 7.88454 W29 64 0.00000 6588 1955 TIP3 H2 -22.64962 -9.02317 7.89345 W29 64 0.00000 6589 1956 TIP3 OH2 -24.60771 -11.67938 8.94965 W29 66 0.00000 6590 1956 TIP3 H1 -24.46334 -10.73378 8.98476 W29 66 0.00000 6591 1956 TIP3 H2 -23.91946 -12.00587 8.37005 W29 66 0.00000 6592 1957 TIP3 OH2 -22.17434 -6.21307 1.11727 W29 68 0.00000 6593 1957 TIP3 H1 -22.79979 -6.85258 0.77657 W29 68 0.00000 6594 1957 TIP3 H2 -22.43547 -5.38444 0.71552 W29 68 0.00000 6595 1958 TIP3 OH2 -31.29468 -8.83380 -1.20925 W29 69 0.00000 6596 1958 TIP3 H1 -31.34416 -9.54284 -0.56813 W29 69 0.00000 6597 1958 TIP3 H2 -30.36641 -8.78009 -1.43652 W29 69 0.00000 6598 1959 TIP3 OH2 -27.64329 -5.71042 -1.38762 W29 70 0.00000 6599 1959 TIP3 H1 -27.13424 -5.08455 -0.87249 W29 70 0.00000 6600 1959 TIP3 H2 -28.52964 -5.34912 -1.39667 W29 70 0.00000 6601 1960 TIP3 OH2 -28.75863 -13.45609 11.10810 W29 71 0.00000 6602 1960 TIP3 H1 -27.90400 -13.55597 10.68875 W29 71 0.00000 6603 1960 TIP3 H2 -29.31425 -14.10642 10.67844 W29 71 0.00000 6604 1961 TIP3 OH2 -26.07237 -11.61957 4.50603 W29 72 0.00000 6605 1961 TIP3 H1 -26.89092 -11.47055 4.03276 W29 72 0.00000 6606 1961 TIP3 H2 -26.25584 -12.36878 5.07283 W29 72 0.00000 6607 1962 TIP3 OH2 -29.28086 -8.02777 1.75293 W29 73 0.00000 6608 1962 TIP3 H1 -29.68015 -7.43831 1.11315 W29 73 0.00000 6609 1962 TIP3 H2 -28.57183 -8.45693 1.27405 W29 73 0.00000 6610 1963 TIP3 OH2 -25.28313 -7.68296 3.40738 W29 74 0.00000 6611 1963 TIP3 H1 -24.82397 -8.02635 4.17385 W29 74 0.00000 6612 1963 TIP3 H2 -25.21657 -6.73200 3.49384 W29 74 0.00000 6613 1964 TIP3 OH2 -25.05657 -15.77433 8.02064 W29 75 0.00000 6614 1964 TIP3 H1 -25.99422 -15.90383 7.87827 W29 75 0.00000 6615 1964 TIP3 H2 -24.78841 -15.17571 7.32352 W29 75 0.00000 6616 1965 TIP3 OH2 -24.94293 -4.82256 2.50841 W29 76 0.00000 6617 1965 TIP3 H1 -24.71723 -4.43399 1.66325 W29 76 0.00000 6618 1965 TIP3 H2 -24.16637 -4.68502 3.05085 W29 76 0.00000 6619 1966 TIP3 OH2 -27.37946 -11.45933 7.87320 W29 79 0.00000 6620 1966 TIP3 H1 -26.45643 -11.64698 7.70285 W29 79 0.00000 6621 1966 TIP3 H2 -27.82981 -12.28383 7.68980 W29 79 0.00000 6622 1967 TIP3 OH2 -27.03601 -9.98124 0.77174 W29 80 0.00000 6623 1967 TIP3 H1 -26.92291 -10.45356 -0.05309 W29 80 0.00000 6624 1967 TIP3 H2 -26.14709 -9.87199 1.10956 W29 80 0.00000 6625 1968 TIP3 OH2 -29.36730 -13.68515 6.68801 W29 81 0.00000 6626 1968 TIP3 H1 -30.14909 -13.17752 6.47041 W29 81 0.00000 6627 1968 TIP3 H2 -29.61121 -14.17727 7.47194 W29 81 0.00000 6628 1969 TIP3 OH2 -25.53181 -4.18115 8.42091 W29 82 0.00000 6629 1969 TIP3 H1 -25.64444 -4.05635 7.47860 W29 82 0.00000 6630 1969 TIP3 H2 -26.26858 -4.73484 8.67942 W29 82 0.00000 6631 1970 TIP3 OH2 -26.33399 -13.00040 15.53831 W29 83 0.00000 6632 1970 TIP3 H1 -25.69576 -12.54742 16.08939 W29 83 0.00000 6633 1970 TIP3 H2 -26.61689 -12.33975 14.90606 W29 83 0.00000 6634 1971 TIP3 OH2 -19.33752 -9.07055 5.62845 W29 84 0.00000 6635 1971 TIP3 H1 -19.89968 -8.58257 5.02673 W29 84 0.00000 6636 1971 TIP3 H2 -19.62933 -8.80288 6.49990 W29 84 0.00000 6637 1972 TIP3 OH2 -20.58821 -9.17232 7.90577 W29 86 0.00000 6638 1972 TIP3 H1 -20.16052 -9.77403 8.51508 W29 86 0.00000 6639 1972 TIP3 H2 -20.45640 -8.30626 8.29154 W29 86 0.00000 6640 1973 TIP3 OH2 -23.95132 -3.26764 10.48529 W29 88 0.00000 6641 1973 TIP3 H1 -24.67801 -2.87238 10.96687 W29 88 0.00000 6642 1973 TIP3 H2 -24.34431 -3.57694 9.66913 W29 88 0.00000 6643 1974 TIP3 OH2 -17.19788 -10.45745 11.20018 W29 92 0.00000 6644 1974 TIP3 H1 -16.98722 -10.08862 10.34239 W29 92 0.00000 6645 1974 TIP3 H2 -17.24936 -9.69877 11.78155 W29 92 0.00000 6646 1975 TIP3 OH2 -21.57325 -4.34195 16.07606 W29 94 0.00000 6647 1975 TIP3 H1 -21.75267 -4.97410 15.38008 W29 94 0.00000 6648 1975 TIP3 H2 -20.72889 -3.95800 15.83970 W29 94 0.00000 6649 1976 TIP3 OH2 -26.41643 -11.53757 13.06202 W29 95 0.00000 6650 1976 TIP3 H1 -26.93999 -11.36463 12.27958 W29 95 0.00000 6651 1976 TIP3 H2 -25.63661 -11.98588 12.73470 W29 95 0.00000 6652 1977 TIP3 OH2 -27.76131 -1.98996 1.62782 W29 97 0.00000 6653 1977 TIP3 H1 -27.81255 -2.03047 2.58278 W29 97 0.00000 6654 1977 TIP3 H2 -28.62223 -1.67316 1.35453 W29 97 0.00000 6655 1978 TIP3 OH2 -28.23932 -5.33985 8.93958 W29 98 0.00000 6656 1978 TIP3 H1 -28.73616 -4.67025 9.40971 W29 98 0.00000 6657 1978 TIP3 H2 -28.84439 -5.66315 8.27203 W29 98 0.00000 6658 1979 TIP3 OH2 -21.18377 -3.36845 12.26218 W29 102 0.00000 6659 1979 TIP3 H1 -21.35779 -4.27580 12.51249 W29 102 0.00000 6660 1979 TIP3 H2 -21.84299 -3.17254 11.59637 W29 102 0.00000 6661 1980 TIP3 OH2 -19.80857 -2.01744 18.31765 W29 104 0.00000 6662 1980 TIP3 H1 -19.41484 -1.78145 19.15759 W29 104 0.00000 6663 1980 TIP3 H2 -20.68305 -1.62915 18.34499 W29 104 0.00000 6664 1981 TIP3 OH2 -21.64841 -6.02682 12.69653 W29 106 0.00000 6665 1981 TIP3 H1 -21.96129 -6.79053 12.21169 W29 106 0.00000 6666 1981 TIP3 H2 -21.20679 -6.39330 13.46261 W29 106 0.00000 6667 1982 TIP3 OH2 -24.45846 0.37769 8.54610 W29 108 0.00000 6668 1982 TIP3 H1 -23.68500 0.16398 8.02426 W29 108 0.00000 6669 1982 TIP3 H2 -25.06362 -0.34643 8.38589 W29 108 0.00000 6670 1983 TIP3 OH2 -26.66139 -1.19192 8.36981 W29 109 0.00000 6671 1983 TIP3 H1 -26.91691 -2.11426 8.38436 W29 109 0.00000 6672 1983 TIP3 H2 -27.16992 -0.79086 9.07463 W29 109 0.00000 6673 1984 TIP3 OH2 -28.45045 -2.18176 4.34362 W29 110 0.00000 6674 1984 TIP3 H1 -29.40323 -2.09622 4.31006 W29 110 0.00000 6675 1984 TIP3 H2 -28.19186 -1.68300 5.11860 W29 110 0.00000 6676 1985 TIP3 OH2 -27.63618 -16.53662 8.09917 W29 111 0.00000 6677 1985 TIP3 H1 -27.62825 -17.15361 8.83094 W29 111 0.00000 6678 1985 TIP3 H2 -27.70478 -17.08886 7.32036 W29 111 0.00000 6679 1986 TIP3 OH2 -21.06206 -11.09482 5.42269 W29 112 0.00000 6680 1986 TIP3 H1 -20.53704 -10.31809 5.61579 W29 112 0.00000 6681 1986 TIP3 H2 -21.26792 -11.46482 6.28115 W29 112 0.00000 6682 1987 TIP3 OH2 -25.90164 -1.47253 11.57634 W29 113 0.00000 6683 1987 TIP3 H1 -26.64651 -0.90404 11.38087 W29 113 0.00000 6684 1987 TIP3 H2 -25.28025 -0.90542 12.03296 W29 113 0.00000 6685 1988 TIP3 OH2 -24.06125 -9.56612 4.98622 W29 114 0.00000 6686 1988 TIP3 H1 -23.71863 -9.53144 5.87933 W29 114 0.00000 6687 1988 TIP3 H2 -24.78535 -10.19055 5.03105 W29 114 0.00000 6688 1989 TIP3 OH2 -23.12464 -12.43188 3.94224 W29 116 0.00000 6689 1989 TIP3 H1 -23.99105 -12.33458 4.33732 W29 116 0.00000 6690 1989 TIP3 H2 -22.53141 -11.99677 4.55459 W29 116 0.00000 6691 1990 TIP3 OH2 -24.16532 -8.06732 0.65175 W29 118 0.00000 6692 1990 TIP3 H1 -24.74820 -7.67837 1.30382 W29 118 0.00000 6693 1990 TIP3 H2 -23.63798 -8.69534 1.14544 W29 118 0.00000 6694 1991 TIP3 OH2 -24.12441 -12.32820 11.68182 W29 120 0.00000 6695 1991 TIP3 H1 -24.29879 -12.12000 10.76396 W29 120 0.00000 6696 1991 TIP3 H2 -23.92483 -13.26436 11.68182 W29 120 0.00000 6697 1992 TIP3 OH2 -28.17567 0.09102 6.12907 W29 121 0.00000 6698 1992 TIP3 H1 -28.19823 0.17579 7.08223 W29 121 0.00000 6699 1992 TIP3 H2 -27.24543 0.12891 5.90672 W29 121 0.00000 6700 1993 TIP3 OH2 -26.26379 -3.64872 -0.17881 W29 122 0.00000 6701 1993 TIP3 H1 -26.72585 -3.12673 0.47714 W29 122 0.00000 6702 1993 TIP3 H2 -26.59721 -3.32997 -1.01753 W29 122 0.00000 6703 1994 TIP3 OH2 -27.56708 -7.60108 19.11775 W29 123 0.00000 6704 1994 TIP3 H1 -27.45889 -6.65888 19.24731 W29 123 0.00000 6705 1994 TIP3 H2 -27.10467 -7.99938 19.85515 W29 123 0.00000 6706 1995 TIP3 OH2 -29.76761 -13.17908 -0.22787 W29 124 0.00000 6707 1995 TIP3 H1 -29.32171 -12.44491 -0.65022 W29 124 0.00000 6708 1995 TIP3 H2 -30.00318 -13.76344 -0.94848 W29 124 0.00000 6709 1996 TIP3 OH2 -23.81312 0.84799 11.19318 W29 128 0.00000 6710 1996 TIP3 H1 -24.24625 0.42762 10.45028 W29 128 0.00000 6711 1996 TIP3 H2 -22.97373 0.39435 11.26972 W29 128 0.00000 6712 1997 TIP3 OH2 -20.83845 -0.96464 14.21864 W29 130 0.00000 6713 1997 TIP3 H1 -20.68673 -1.89044 14.02857 W29 130 0.00000 6714 1997 TIP3 H2 -20.04903 -0.68191 14.68027 W29 130 0.00000 6715 1998 TIP3 OH2 -25.41013 -0.58156 5.41394 W29 132 0.00000 6716 1998 TIP3 H1 -25.45627 -1.48615 5.10440 W29 132 0.00000 6717 1998 TIP3 H2 -24.47541 -0.41848 5.54014 W29 132 0.00000 6718 1999 TIP3 OH2 -22.01482 -1.49142 9.59222 W29 134 0.00000 6719 1999 TIP3 H1 -22.85454 -1.88234 9.83360 W29 134 0.00000 6720 1999 TIP3 H2 -21.75637 -1.95191 8.79387 W29 134 0.00000 6721 2000 TIP3 OH2 -25.50528 -3.85347 5.59721 W29 137 0.00000 6722 2000 TIP3 H1 -26.10766 -4.48022 5.19651 W29 137 0.00000 6723 2000 TIP3 H2 -24.68858 -3.96010 5.10950 W29 137 0.00000 6724 2001 TIP3 OH2 -23.04719 -4.22324 4.56080 W29 139 0.00000 6725 2001 TIP3 H1 -22.49779 -3.64822 4.02815 W29 139 0.00000 6726 2001 TIP3 H2 -22.47964 -4.49787 5.28101 W29 139 0.00000 6727 2002 TIP3 OH2 -17.20265 -5.41411 12.20557 W29 141 0.00000 6728 2002 TIP3 H1 -16.70140 -5.06379 11.46920 W29 141 0.00000 6729 2002 TIP3 H2 -17.34222 -4.66164 12.78049 W29 141 0.00000 6730 2003 TIP3 OH2 -30.63784 -15.40953 5.01303 W29 143 0.00000 6731 2003 TIP3 H1 -29.99651 -14.85228 5.45396 W29 143 0.00000 6732 2003 TIP3 H2 -30.88813 -14.91580 4.23213 W29 143 0.00000 6733 2004 TIP3 OH2 -29.54057 -17.66124 3.99823 W29 148 0.00000 6734 2004 TIP3 H1 -29.85111 -16.92742 4.52863 W29 148 0.00000 6735 2004 TIP3 H2 -29.59418 -17.34509 3.09635 W29 148 0.00000 6736 2005 TIP3 OH2 -27.34677 2.27038 11.95295 W29 155 0.00000 6737 2005 TIP3 H1 -26.87324 1.96871 12.72819 W29 155 0.00000 6738 2005 TIP3 H2 -27.33139 3.22518 12.01878 W29 155 0.00000 6739 2006 TIP3 OH2 -29.50178 1.18326 3.91713 W29 156 0.00000 6740 2006 TIP3 H1 -29.10106 0.74895 4.67013 W29 156 0.00000 6741 2006 TIP3 H2 -28.82360 1.16709 3.24183 W29 156 0.00000 6742 2007 TIP3 OH2 -26.12620 -8.22543 21.43839 W29 159 0.00000 6743 2007 TIP3 H1 -26.82799 -8.72105 21.86038 W29 159 0.00000 6744 2007 TIP3 H2 -25.62801 -7.84946 22.16412 W29 159 0.00000 6745 2008 TIP3 OH2 -19.83676 -7.63769 14.41531 W29 162 0.00000 6746 2008 TIP3 H1 -19.49514 -7.72512 15.30518 W29 162 0.00000 6747 2008 TIP3 H2 -19.99118 -8.53761 14.12804 W29 162 0.00000 6748 2009 TIP3 OH2 -20.14068 -10.28243 13.98870 W29 163 0.00000 6749 2009 TIP3 H1 -20.73030 -10.62525 13.31710 W29 163 0.00000 6750 2009 TIP3 H2 -20.30973 -10.82734 14.75728 W29 163 0.00000 6751 2010 TIP3 OH2 -24.52803 -11.64415 17.33386 W29 164 0.00000 6752 2010 TIP3 H1 -23.65932 -11.98686 17.54393 W29 164 0.00000 6753 2010 TIP3 H2 -24.68832 -10.97335 17.99760 W29 164 0.00000 6754 2011 TIP3 OH2 -28.03435 -10.75895 19.01213 W29 165 0.00000 6755 2011 TIP3 H1 -28.99139 -10.74337 19.00576 W29 165 0.00000 6756 2011 TIP3 H2 -27.78323 -10.43046 18.14885 W29 165 0.00000 6757 2012 TIP3 OH2 -17.52284 -8.03205 12.89852 W29 166 0.00000 6758 2012 TIP3 H1 -17.51030 -7.14121 12.54856 W29 166 0.00000 6759 2012 TIP3 H2 -18.22188 -8.02323 13.55235 W29 166 0.00000 6760 2013 TIP3 OH2 -16.73724 -8.35579 9.47439 W29 167 0.00000 6761 2013 TIP3 H1 -16.44182 -7.49011 9.75648 W29 167 0.00000 6762 2013 TIP3 H2 -16.23784 -8.53172 8.67697 W29 167 0.00000 6763 2014 TIP3 OH2 -21.49836 -10.90614 11.71454 W29 168 0.00000 6764 2014 TIP3 H1 -21.26991 -11.47271 10.97763 W29 168 0.00000 6765 2014 TIP3 H2 -22.39038 -11.16347 11.94757 W29 168 0.00000 6766 2015 TIP3 OH2 -15.78668 -9.24463 6.95048 W29 172 0.00000 6767 2015 TIP3 H1 -15.68040 -10.12025 7.32226 W29 172 0.00000 6768 2015 TIP3 H2 -16.33481 -9.37722 6.17704 W29 172 0.00000 6769 2016 TIP3 OH2 -19.86057 -11.39625 9.39742 W29 173 0.00000 6770 2016 TIP3 H1 -19.45456 -12.17691 9.02064 W29 173 0.00000 6771 2016 TIP3 H2 -19.23979 -11.10049 10.06327 W29 173 0.00000 6772 2017 TIP3 OH2 -23.27053 -14.83630 12.00509 W29 174 0.00000 6773 2017 TIP3 H1 -22.69639 -14.98297 12.75682 W29 174 0.00000 6774 2017 TIP3 H2 -24.07597 -15.30528 12.22316 W29 174 0.00000 6775 2018 TIP3 OH2 -25.34721 -16.20564 13.44088 W29 175 0.00000 6776 2018 TIP3 H1 -26.24245 -15.98997 13.17966 W29 175 0.00000 6777 2018 TIP3 H2 -25.18572 -15.66439 14.21367 W29 175 0.00000 6778 2019 TIP3 OH2 -18.57136 -13.45759 7.99776 W29 178 0.00000 6779 2019 TIP3 H1 -18.85042 -14.36800 8.09535 W29 178 0.00000 6780 2019 TIP3 H2 -18.46729 -13.33837 7.05373 W29 178 0.00000 6781 2020 TIP3 OH2 -31.51105 -11.11192 0.40528 W29 179 0.00000 6782 2020 TIP3 H1 -31.15167 -11.98945 0.27488 W29 179 0.00000 6783 2020 TIP3 H2 -31.72606 -11.07671 1.33735 W29 179 0.00000 6784 2021 TIP3 OH2 -15.03491 -11.71995 8.13005 W29 182 0.00000 6785 2021 TIP3 H1 -14.20279 -12.02152 7.76554 W29 182 0.00000 6786 2021 TIP3 H2 -14.84258 -11.53981 9.05027 W29 182 0.00000 6787 2022 TIP3 OH2 -28.93384 -7.89518 -2.63704 W29 183 0.00000 6788 2022 TIP3 H1 -29.53386 -7.36138 -3.15785 W29 183 0.00000 6789 2022 TIP3 H2 -28.33269 -7.26394 -2.24158 W29 183 0.00000 6790 2023 TIP3 OH2 -25.37856 -4.12645 17.84815 W29 184 0.00000 6791 2023 TIP3 H1 -24.42238 -4.17035 17.84845 W29 184 0.00000 6792 2023 TIP3 H2 -25.63173 -4.40168 18.72927 W29 184 0.00000 6793 2024 TIP3 OH2 -23.88574 -21.36853 10.60317 W29 190 0.00000 6794 2024 TIP3 H1 -24.27749 -20.62260 10.14892 W29 190 0.00000 6795 2024 TIP3 H2 -23.12173 -21.59752 10.07394 W29 190 0.00000 6796 2025 TIP3 OH2 -24.96407 -14.42765 5.29672 W29 199 0.00000 6797 2025 TIP3 H1 -25.37419 -14.79289 4.51274 W29 199 0.00000 6798 2025 TIP3 H2 -24.02461 -14.53622 5.14886 W29 199 0.00000 6799 2026 TIP3 OH2 -20.97986 -17.47876 7.50104 W29 200 0.00000 6800 2026 TIP3 H1 -20.42527 -16.98039 8.10127 W29 200 0.00000 6801 2026 TIP3 H2 -21.50568 -16.81574 7.05367 W29 200 0.00000 6802 2027 TIP3 OH2 -19.09685 -16.18392 8.85601 W29 201 0.00000 6803 2027 TIP3 H1 -18.16645 -16.37970 8.74534 W29 201 0.00000 6804 2027 TIP3 H2 -19.14999 -15.74219 9.70352 W29 201 0.00000 6805 2028 TIP3 OH2 -28.17224 -11.32854 -1.45543 W29 202 0.00000 6806 2028 TIP3 H1 -28.27381 -10.88760 -2.29892 W29 202 0.00000 6807 2028 TIP3 H2 -27.55894 -12.04239 -1.63012 W29 202 0.00000 6808 2029 TIP3 OH2 -26.08303 -8.27786 -3.76480 W29 203 0.00000 6809 2029 TIP3 H1 -25.59956 -7.62241 -3.26193 W29 203 0.00000 6810 2029 TIP3 H2 -27.00100 -8.02366 -3.67036 W29 203 0.00000 6811 2030 TIP3 OH2 -24.97051 -12.77936 1.48632 W29 204 0.00000 6812 2030 TIP3 H1 -24.49738 -12.79214 2.31831 W29 204 0.00000 6813 2030 TIP3 H2 -25.60453 -13.49268 1.55980 W29 204 0.00000 6814 2031 TIP3 OH2 -22.37539 -15.71110 5.76059 W29 205 0.00000 6815 2031 TIP3 H1 -21.72340 -15.04011 5.55834 W29 205 0.00000 6816 2031 TIP3 H2 -22.34215 -16.31049 5.01503 W29 205 0.00000 6817 2032 TIP3 OH2 -18.61014 -13.27333 5.24412 W29 206 0.00000 6818 2032 TIP3 H1 -19.14380 -12.48918 5.11552 W29 206 0.00000 6819 2032 TIP3 H2 -18.71500 -13.77066 4.43302 W29 206 0.00000 6820 2033 TIP3 OH2 -24.44274 -6.58233 -1.76595 W29 208 0.00000 6821 2033 TIP3 H1 -23.55363 -6.81432 -2.03405 W29 208 0.00000 6822 2033 TIP3 H2 -24.56771 -7.03499 -0.93186 W29 208 0.00000 6823 2034 TIP3 OH2 -22.82782 -9.70027 2.59917 W29 209 0.00000 6824 2034 TIP3 H1 -22.94874 -10.64600 2.51443 W29 209 0.00000 6825 2034 TIP3 H2 -23.45273 -9.43803 3.27514 W29 209 0.00000 6826 2035 TIP3 OH2 -25.48881 0.70877 13.28226 W29 210 0.00000 6827 2035 TIP3 H1 -24.91492 0.78338 14.04471 W29 210 0.00000 6828 2035 TIP3 H2 -24.96427 1.04083 12.55368 W29 210 0.00000 6829 2036 TIP3 OH2 -22.65658 -3.60493 18.35663 W29 211 0.00000 6830 2036 TIP3 H1 -22.16015 -3.66200 17.54023 W29 211 0.00000 6831 2036 TIP3 H2 -22.54644 -2.69779 18.64157 W29 211 0.00000 6832 2037 TIP3 OH2 9.38581 32.46667 5.47988 W30 10 0.00000 6833 2037 TIP3 H1 8.72464 32.36640 6.16474 W30 10 0.00000 6834 2037 TIP3 H2 9.99771 33.11415 5.82998 W30 10 0.00000 6835 2038 TIP3 OH2 7.66349 31.83081 7.47146 W30 16 0.00000 6836 2038 TIP3 H1 7.04867 32.56260 7.41937 W30 16 0.00000 6837 2038 TIP3 H2 7.11517 31.06982 7.66247 W30 16 0.00000 6838 2039 TIP3 OH2 3.60927 31.88707 7.92195 W30 55 0.00000 6839 2039 TIP3 H1 3.65798 32.82366 7.73055 W30 55 0.00000 6840 2039 TIP3 H2 4.14339 31.47522 7.24275 W30 55 0.00000 6841 2040 TIP3 OH2 5.54807 31.05228 5.79647 W30 119 0.00000 6842 2040 TIP3 H1 4.90815 31.59095 5.33109 W30 119 0.00000 6843 2040 TIP3 H2 6.37041 31.53602 5.71924 W30 119 0.00000 6844 2041 TIP3 OH2 0.19020 31.53185 6.65192 W30 145 0.00000 6845 2041 TIP3 H1 0.70300 30.92146 6.12211 W30 145 0.00000 6846 2041 TIP3 H2 0.62727 31.53624 7.50348 W30 145 0.00000 6847 2042 TIP3 OH2 1.83811 29.04258 4.39229 W30 151 0.00000 6848 2042 TIP3 H1 2.09486 28.44388 3.69096 W30 151 0.00000 6849 2042 TIP3 H2 0.96039 28.75523 4.64380 W30 151 0.00000 6850 2043 TIP3 OH2 4.65711 31.62524 10.35429 W30 171 0.00000 6851 2043 TIP3 H1 4.31818 31.77085 9.47104 W30 171 0.00000 6852 2043 TIP3 H2 5.35581 30.98105 10.24005 W30 171 0.00000 6853 2044 TIP3 OH2 6.03925 25.73368 6.44886 W30 177 0.00000 6854 2044 TIP3 H1 6.89395 25.58503 6.04438 W30 177 0.00000 6855 2044 TIP3 H2 6.15124 26.53613 6.95852 W30 177 0.00000 6856 2045 TIP3 OH2 6.11649 28.40066 6.98469 W30 181 0.00000 6857 2045 TIP3 H1 5.43840 28.91071 6.54166 W30 181 0.00000 6858 2045 TIP3 H2 6.89952 28.52559 6.44853 W30 181 0.00000 6859 2046 TIP3 OH2 7.54095 28.91416 4.31786 W30 190 0.00000 6860 2046 TIP3 H1 7.14920 29.66009 3.86361 W30 190 0.00000 6861 2046 TIP3 H2 8.30496 28.68517 3.78863 W30 190 0.00000 6862 2047 TIP3 OH2 2.93306 27.47781 2.37064 W30 215 0.00000 6863 2047 TIP3 H1 2.55700 26.59910 2.42242 W30 215 0.00000 6864 2047 TIP3 H2 3.75278 27.41734 2.86118 W30 215 0.00000 6865 2048 TIP3 OH2 -6.28862 29.48905 10.68717 W31 1 0.00000 6866 2048 TIP3 H1 -6.45563 30.17675 11.33169 W31 1 0.00000 6867 2048 TIP3 H2 -6.18362 29.95693 9.85875 W31 1 0.00000 6868 2049 TIP3 OH2 -9.03077 27.06884 10.61891 W31 2 0.00000 6869 2049 TIP3 H1 -9.31079 26.18070 10.39748 W31 2 0.00000 6870 2049 TIP3 H2 -8.57607 27.37933 9.83592 W31 2 0.00000 6871 2050 TIP3 OH2 -15.05184 28.29348 5.80504 W31 3 0.00000 6872 2050 TIP3 H1 -15.29797 27.38047 5.65648 W31 3 0.00000 6873 2050 TIP3 H2 -14.91264 28.35377 6.75014 W31 3 0.00000 6874 2051 TIP3 OH2 -6.40744 28.92519 14.48279 W31 4 0.00000 6875 2051 TIP3 H1 -6.76150 28.29146 13.85889 W31 4 0.00000 6876 2051 TIP3 H2 -7.07622 28.99016 15.16450 W31 4 0.00000 6877 2052 TIP3 OH2 -11.18593 28.95638 11.30199 W31 9 0.00000 6878 2052 TIP3 H1 -10.35839 28.79427 10.84908 W31 9 0.00000 6879 2052 TIP3 H2 -11.15648 28.38330 12.06811 W31 9 0.00000 6880 2053 TIP3 OH2 -3.18486 19.89600 11.76521 W31 10 0.00000 6881 2053 TIP3 H1 -3.84603 19.79573 12.45007 W31 10 0.00000 6882 2053 TIP3 H2 -2.57296 20.54348 12.11531 W31 10 0.00000 6883 2054 TIP3 OH2 -7.44186 23.95399 9.76778 W31 11 0.00000 6884 2054 TIP3 H1 -7.04481 23.26215 9.23869 W31 11 0.00000 6885 2054 TIP3 H2 -6.96258 24.74635 9.52553 W31 11 0.00000 6886 2055 TIP3 OH2 -9.55418 26.78848 3.02958 W31 12 0.00000 6887 2055 TIP3 H1 -9.53314 27.62626 3.49210 W31 12 0.00000 6888 2055 TIP3 H2 -9.25261 26.99511 2.14494 W31 12 0.00000 6889 2056 TIP3 OH2 -3.38340 25.36755 7.73175 W31 13 0.00000 6890 2056 TIP3 H1 -3.25939 24.51645 8.15184 W31 13 0.00000 6891 2056 TIP3 H2 -2.80083 25.95808 8.20936 W31 13 0.00000 6892 2057 TIP3 OH2 -9.67020 28.84257 6.83756 W31 15 0.00000 6893 2057 TIP3 H1 -9.42358 27.94663 7.06712 W31 15 0.00000 6894 2057 TIP3 H2 -9.57848 28.88028 5.88551 W31 15 0.00000 6895 2058 TIP3 OH2 -4.90718 19.26014 13.75679 W31 16 0.00000 6896 2058 TIP3 H1 -5.52201 19.99192 13.70469 W31 16 0.00000 6897 2058 TIP3 H2 -5.45550 18.49915 13.94780 W31 16 0.00000 6898 2059 TIP3 OH2 -12.70272 23.74759 2.87296 W31 17 0.00000 6899 2059 TIP3 H1 -12.51436 24.68484 2.82498 W31 17 0.00000 6900 2059 TIP3 H2 -13.65494 23.68983 2.79443 W31 17 0.00000 6901 2060 TIP3 OH2 -13.74006 27.81668 9.79856 W31 19 0.00000 6902 2060 TIP3 H1 -14.50185 28.39313 9.73844 W31 19 0.00000 6903 2060 TIP3 H2 -13.23832 28.15843 10.53862 W31 19 0.00000 6904 2061 TIP3 OH2 -3.29154 22.98650 9.09513 W31 20 0.00000 6905 2061 TIP3 H1 -3.53486 22.19272 8.61875 W31 20 0.00000 6906 2061 TIP3 H2 -3.35377 22.74099 10.01821 W31 20 0.00000 6907 2062 TIP3 OH2 -12.23910 26.50966 3.18098 W31 21 0.00000 6908 2062 TIP3 H1 -12.28976 26.47813 4.13632 W31 21 0.00000 6909 2062 TIP3 H2 -11.30268 26.46151 2.98859 W31 21 0.00000 6910 2063 TIP3 OH2 -8.24457 28.41536 16.83266 W31 24 0.00000 6911 2063 TIP3 H1 -8.99958 28.66037 16.29773 W31 24 0.00000 6912 2063 TIP3 H2 -8.27083 29.01854 17.57542 W31 24 0.00000 6913 2064 TIP3 OH2 -5.08455 19.56121 9.69660 W31 25 0.00000 6914 2064 TIP3 H1 -5.75359 20.23896 9.60040 W31 25 0.00000 6915 2064 TIP3 H2 -4.41634 19.96092 10.25335 W31 25 0.00000 6916 2065 TIP3 OH2 -7.42190 22.30745 2.91178 W31 26 0.00000 6917 2065 TIP3 H1 -7.14804 21.75049 2.18307 W31 26 0.00000 6918 2065 TIP3 H2 -8.28484 22.63211 2.65456 W31 26 0.00000 6919 2066 TIP3 OH2 -5.28667 31.64369 14.60658 W31 28 0.00000 6920 2066 TIP3 H1 -4.82075 31.67714 13.77110 W31 28 0.00000 6921 2066 TIP3 H2 -5.65539 30.76101 14.64057 W31 28 0.00000 6922 2067 TIP3 OH2 -9.33645 24.47456 17.60082 W31 29 0.00000 6923 2067 TIP3 H1 -8.55325 24.52638 17.05297 W31 29 0.00000 6924 2067 TIP3 H2 -9.27838 25.23794 18.17536 W31 29 0.00000 6925 2068 TIP3 OH2 -5.59913 22.70975 15.74398 W31 32 0.00000 6926 2068 TIP3 H1 -6.32510 23.33093 15.80166 W31 32 0.00000 6927 2068 TIP3 H2 -4.81924 23.23470 15.92412 W31 32 0.00000 6928 2069 TIP3 OH2 -3.62413 29.47985 11.20861 W31 33 0.00000 6929 2069 TIP3 H1 -4.57023 29.49402 11.06394 W31 33 0.00000 6930 2069 TIP3 H2 -3.39124 28.55179 11.18252 W31 33 0.00000 6931 2070 TIP3 OH2 -9.12912 22.25177 12.94558 W31 34 0.00000 6932 2070 TIP3 H1 -9.71156 22.35286 13.69843 W31 34 0.00000 6933 2070 TIP3 H2 -9.16269 23.09867 12.50076 W31 34 0.00000 6934 2071 TIP3 OH2 -12.42658 28.06466 7.32134 W31 37 0.00000 6935 2071 TIP3 H1 -11.58164 28.46577 7.52482 W31 37 0.00000 6936 2071 TIP3 H2 -12.85239 27.95746 8.17188 W31 37 0.00000 6937 2072 TIP3 OH2 -10.54420 29.14101 15.44096 W31 38 0.00000 6938 2072 TIP3 H1 -11.35714 29.23072 15.93825 W31 38 0.00000 6939 2072 TIP3 H2 -10.68146 28.36745 14.89418 W31 38 0.00000 6940 2073 TIP3 OH2 -16.45109 27.55935 12.41329 W31 39 0.00000 6941 2073 TIP3 H1 -17.22291 27.88110 12.87911 W31 39 0.00000 6942 2073 TIP3 H2 -16.37618 28.13115 11.64931 W31 39 0.00000 6943 2074 TIP3 OH2 -2.55434 30.84098 9.12581 W31 40 0.00000 6944 2074 TIP3 H1 -2.71591 30.24989 9.86116 W31 40 0.00000 6945 2074 TIP3 H2 -1.95301 31.49905 9.47452 W31 40 0.00000 6946 2075 TIP3 OH2 -16.72284 26.56572 7.56822 W31 41 0.00000 6947 2075 TIP3 H1 -17.35852 26.51040 8.28172 W31 41 0.00000 6948 2075 TIP3 H2 -17.12767 27.15442 6.93123 W31 41 0.00000 6949 2076 TIP3 OH2 2.78622 24.23274 6.02938 W31 44 0.00000 6950 2076 TIP3 H1 1.94326 24.42861 5.62038 W31 44 0.00000 6951 2076 TIP3 H2 2.94485 24.97099 6.61764 W31 44 0.00000 6952 2077 TIP3 OH2 -9.57816 24.35837 21.61705 W31 49 0.00000 6953 2077 TIP3 H1 -9.26781 23.76285 20.93497 W31 49 0.00000 6954 2077 TIP3 H2 -10.48610 24.54473 21.37802 W31 49 0.00000 6955 2078 TIP3 OH2 -8.96141 19.31639 14.20727 W31 55 0.00000 6956 2078 TIP3 H1 -8.91269 20.25299 14.01588 W31 55 0.00000 6957 2078 TIP3 H2 -8.42728 18.90455 13.52808 W31 55 0.00000 6958 2079 TIP3 OH2 -10.06230 23.30174 1.95246 W31 57 0.00000 6959 2079 TIP3 H1 -10.33585 23.80264 1.18402 W31 57 0.00000 6960 2079 TIP3 H2 -10.64776 23.59472 2.65077 W31 57 0.00000 6961 2080 TIP3 OH2 -9.11092 19.31238 6.00058 W31 58 0.00000 6962 2080 TIP3 H1 -9.19433 18.39337 6.25494 W31 58 0.00000 6963 2080 TIP3 H2 -9.75153 19.42614 5.29850 W31 58 0.00000 6964 2081 TIP3 OH2 -8.71407 20.13826 11.00640 W31 59 0.00000 6965 2081 TIP3 H1 -9.54658 19.69402 10.84571 W31 59 0.00000 6966 2081 TIP3 H2 -8.95894 20.96123 11.42946 W31 59 0.00000 6967 2082 TIP3 OH2 -1.69060 29.56331 3.19832 W31 61 0.00000 6968 2082 TIP3 H1 -2.48121 29.04538 3.34968 W31 61 0.00000 6969 2082 TIP3 H2 -1.37039 29.26885 2.34569 W31 61 0.00000 6970 2083 TIP3 OH2 -12.38679 25.85169 5.68844 W31 62 0.00000 6971 2083 TIP3 H1 -13.27390 25.56610 5.47007 W31 62 0.00000 6972 2083 TIP3 H2 -12.51234 26.61541 6.25166 W31 62 0.00000 6973 2084 TIP3 OH2 -4.73021 28.61285 7.71114 W31 64 0.00000 6974 2084 TIP3 H1 -5.08013 29.48676 7.88456 W31 64 0.00000 6975 2084 TIP3 H2 -3.79361 28.68884 7.89346 W31 64 0.00000 6976 2085 TIP3 OH2 -13.04603 21.37051 11.05903 W31 65 0.00000 6977 2085 TIP3 H1 -13.40002 20.87430 10.32098 W31 65 0.00000 6978 2085 TIP3 H2 -12.76671 20.70268 11.68530 W31 65 0.00000 6979 2086 TIP3 OH2 -5.75169 26.03264 8.94967 W31 66 0.00000 6980 2086 TIP3 H1 -5.60732 26.97824 8.98478 W31 66 0.00000 6981 2086 TIP3 H2 -5.06344 25.70615 8.37007 W31 66 0.00000 6982 2087 TIP3 OH2 -15.23834 25.57044 5.02444 W31 67 0.00000 6983 2087 TIP3 H1 -15.97624 25.27076 5.55541 W31 67 0.00000 6984 2087 TIP3 H2 -15.35354 25.12937 4.18277 W31 67 0.00000 6985 2088 TIP3 OH2 -9.90261 24.25593 11.10812 W31 71 0.00000 6986 2088 TIP3 H1 -9.04798 24.15605 10.68877 W31 71 0.00000 6987 2088 TIP3 H2 -10.45823 23.60560 10.67846 W31 71 0.00000 6988 2089 TIP3 OH2 -7.21635 26.09245 4.50605 W31 72 0.00000 6989 2089 TIP3 H1 -8.03491 26.24146 4.03277 W31 72 0.00000 6990 2089 TIP3 H2 -7.39982 25.34324 5.07285 W31 72 0.00000 6991 2090 TIP3 OH2 -6.20056 21.93768 8.02065 W31 75 0.00000 6992 2090 TIP3 H1 -7.13820 21.80819 7.87829 W31 75 0.00000 6993 2090 TIP3 H2 -5.93239 22.53631 7.32354 W31 75 0.00000 6994 2091 TIP3 OH2 -18.91533 26.48309 9.33636 W31 78 0.00000 6995 2091 TIP3 H1 -18.88633 26.03444 10.18140 W31 78 0.00000 6996 2091 TIP3 H2 -19.84729 26.53580 9.12448 W31 78 0.00000 6997 2092 TIP3 OH2 -8.52344 26.25269 7.87322 W31 79 0.00000 6998 2092 TIP3 H1 -7.60041 26.06504 7.70287 W31 79 0.00000 6999 2092 TIP3 H2 -8.97379 25.42819 7.68982 W31 79 0.00000 7000 2093 TIP3 OH2 -8.17999 27.73078 0.77176 W31 80 0.00000 7001 2093 TIP3 H1 -8.06689 27.25846 -0.05307 W31 80 0.00000 7002 2093 TIP3 H2 -7.29107 27.84003 1.10958 W31 80 0.00000 7003 2094 TIP3 OH2 -10.51128 24.02687 6.68803 W31 81 0.00000 7004 2094 TIP3 H1 -11.29307 24.53450 6.47043 W31 81 0.00000 7005 2094 TIP3 H2 -10.75519 23.53475 7.47196 W31 81 0.00000 7006 2095 TIP3 OH2 -7.47798 24.71161 15.53832 W31 83 0.00000 7007 2095 TIP3 H1 -6.83975 25.16459 16.08940 W31 83 0.00000 7008 2095 TIP3 H2 -7.76087 25.37227 14.90608 W31 83 0.00000 7009 2096 TIP3 OH2 -0.48151 28.64146 5.62846 W31 84 0.00000 7010 2096 TIP3 H1 -1.04367 29.12944 5.02674 W31 84 0.00000 7011 2096 TIP3 H2 -0.77331 28.90914 6.49992 W31 84 0.00000 7012 2097 TIP3 OH2 -13.21570 25.65608 13.30226 W31 85 0.00000 7013 2097 TIP3 H1 -13.85668 24.97873 13.08648 W31 85 0.00000 7014 2097 TIP3 H2 -13.70767 26.29746 13.81494 W31 85 0.00000 7015 2098 TIP3 OH2 -1.73219 28.53970 7.90579 W31 86 0.00000 7016 2098 TIP3 H1 -1.30450 27.93799 8.51510 W31 86 0.00000 7017 2098 TIP3 H2 -1.60038 29.40576 8.29156 W31 86 0.00000 7018 2099 TIP3 OH2 -18.56225 27.26730 5.37480 W31 89 0.00000 7019 2099 TIP3 H1 -18.82883 26.35982 5.52193 W31 89 0.00000 7020 2099 TIP3 H2 -18.47760 27.34144 4.42423 W31 89 0.00000 7021 2100 TIP3 OH2 -15.19890 23.13115 10.46811 W31 90 0.00000 7022 2100 TIP3 H1 -14.74422 23.71605 9.86200 W31 90 0.00000 7023 2100 TIP3 H2 -14.49749 22.68107 10.93894 W31 90 0.00000 7024 2101 TIP3 OH2 -12.50298 26.57999 16.42703 W31 91 0.00000 7025 2101 TIP3 H1 -12.98604 27.18076 15.85962 W31 91 0.00000 7026 2101 TIP3 H2 -13.18047 26.12732 16.92935 W31 91 0.00000 7027 2102 TIP3 OH2 1.65814 27.25457 11.20020 W31 92 0.00000 7028 2102 TIP3 H1 1.86880 27.62340 10.34241 W31 92 0.00000 7029 2102 TIP3 H2 1.60666 28.01325 11.78157 W31 92 0.00000 7030 2103 TIP3 OH2 -8.85788 22.57552 19.32150 W31 93 0.00000 7031 2103 TIP3 H1 -9.25987 23.26306 18.79053 W31 93 0.00000 7032 2103 TIP3 H2 -7.95657 22.86981 19.45284 W31 93 0.00000 7033 2104 TIP3 OH2 -7.56042 26.17444 13.06203 W31 95 0.00000 7034 2104 TIP3 H1 -8.08397 26.34739 12.27960 W31 95 0.00000 7035 2104 TIP3 H2 -6.78059 25.72614 12.73472 W31 95 0.00000 7036 2105 TIP3 OH2 -10.77074 27.17442 13.81626 W31 101 0.00000 7037 2105 TIP3 H1 -11.52964 26.61356 13.65593 W31 101 0.00000 7038 2105 TIP3 H2 -10.01576 26.61000 13.64995 W31 101 0.00000 7039 2106 TIP3 OH2 -15.42947 23.51940 2.81899 W31 105 0.00000 7040 2106 TIP3 H1 -16.09243 24.08775 2.42697 W31 105 0.00000 7041 2106 TIP3 H2 -15.48887 22.70333 2.32228 W31 105 0.00000 7042 2107 TIP3 OH2 -2.79240 31.68519 12.69654 W31 106 0.00000 7043 2107 TIP3 H1 -3.10527 30.92149 12.21171 W31 106 0.00000 7044 2107 TIP3 H2 -2.35077 31.31872 13.46263 W31 106 0.00000 7045 2108 TIP3 OH2 -8.78016 21.17540 8.09919 W31 111 0.00000 7046 2108 TIP3 H1 -8.77223 20.55841 8.83096 W31 111 0.00000 7047 2108 TIP3 H2 -8.84876 20.62316 7.32038 W31 111 0.00000 7048 2109 TIP3 OH2 -2.20604 26.61720 5.42271 W31 112 0.00000 7049 2109 TIP3 H1 -1.68102 27.39393 5.61581 W31 112 0.00000 7050 2109 TIP3 H2 -2.41190 26.24720 6.28117 W31 112 0.00000 7051 2110 TIP3 OH2 -5.20523 28.14590 4.98624 W31 114 0.00000 7052 2110 TIP3 H1 -4.86261 28.18058 5.87935 W31 114 0.00000 7053 2110 TIP3 H2 -5.92933 27.52147 5.03107 W31 114 0.00000 7054 2111 TIP3 OH2 -11.30000 22.50176 9.06240 W31 115 0.00000 7055 2111 TIP3 H1 -11.91652 22.33975 9.77646 W31 115 0.00000 7056 2111 TIP3 H2 -10.71020 21.74804 9.07892 W31 115 0.00000 7057 2112 TIP3 OH2 -4.26863 25.28013 3.94225 W31 116 0.00000 7058 2112 TIP3 H1 -5.13503 25.37744 4.33734 W31 116 0.00000 7059 2112 TIP3 H2 -3.67539 25.71525 4.55461 W31 116 0.00000 7060 2113 TIP3 OH2 -7.02261 18.48160 12.08179 W31 119 0.00000 7061 2113 TIP3 H1 -7.66252 19.02028 11.61642 W31 119 0.00000 7062 2113 TIP3 H2 -6.20026 18.96535 12.00457 W31 119 0.00000 7063 2114 TIP3 OH2 -5.26839 25.38382 11.68184 W31 120 0.00000 7064 2114 TIP3 H1 -5.44277 25.59202 10.76398 W31 120 0.00000 7065 2114 TIP3 H2 -5.06881 24.44766 11.68184 W31 120 0.00000 7066 2115 TIP3 OH2 -10.91160 24.53293 -0.22786 W31 124 0.00000 7067 2115 TIP3 H1 -10.46569 25.26711 -0.65020 W31 124 0.00000 7068 2115 TIP3 H2 -11.14716 23.94858 -0.94846 W31 124 0.00000 7069 2116 TIP3 OH2 -14.49383 25.41042 17.88249 W31 129 0.00000 7070 2116 TIP3 H1 -14.60432 24.79428 17.15834 W31 129 0.00000 7071 2116 TIP3 H2 -14.46177 24.85883 18.66412 W31 129 0.00000 7072 2117 TIP3 OH2 -21.24553 26.43684 8.24651 W31 131 0.00000 7073 2117 TIP3 H1 -20.65797 25.97842 7.64581 W31 131 0.00000 7074 2117 TIP3 H2 -21.53060 27.21024 7.75988 W31 131 0.00000 7075 2118 TIP3 OH2 -16.42015 24.57642 12.47434 W31 133 0.00000 7076 2118 TIP3 H1 -16.15800 25.43800 12.15004 W31 133 0.00000 7077 2118 TIP3 H2 -15.94693 23.95680 11.91904 W31 133 0.00000 7078 2119 TIP3 OH2 -10.82453 24.35325 15.36892 W31 135 0.00000 7079 2119 TIP3 H1 -10.44394 24.57673 16.21828 W31 135 0.00000 7080 2119 TIP3 H2 -11.56561 24.95146 15.27312 W31 135 0.00000 7081 2120 TIP3 OH2 -19.37050 24.67955 6.74180 W31 136 0.00000 7082 2120 TIP3 H1 -18.73201 24.05258 6.40201 W31 136 0.00000 7083 2120 TIP3 H2 -20.16272 24.16170 6.88474 W31 136 0.00000 7084 2121 TIP3 OH2 -14.65819 24.45340 7.83697 W31 138 0.00000 7085 2121 TIP3 H1 -15.48232 24.92232 7.96797 W31 138 0.00000 7086 2121 TIP3 H2 -13.98032 25.10854 8.00285 W31 138 0.00000 7087 2122 TIP3 OH2 -14.32047 22.24283 13.92370 W31 140 0.00000 7088 2122 TIP3 H1 -13.69476 21.99933 14.60592 W31 140 0.00000 7089 2122 TIP3 H2 -14.60322 21.40880 13.54862 W31 140 0.00000 7090 2123 TIP3 OH2 1.65337 32.29791 12.20559 W31 141 0.00000 7091 2123 TIP3 H1 2.15462 32.64823 11.46922 W31 141 0.00000 7092 2123 TIP3 H2 1.51380 33.05038 12.78051 W31 141 0.00000 7093 2124 TIP3 OH2 -14.27185 21.85545 6.66070 W31 142 0.00000 7094 2124 TIP3 H1 -13.52748 21.72086 6.07417 W31 142 0.00000 7095 2124 TIP3 H2 -14.15689 22.74534 6.99405 W31 142 0.00000 7096 2125 TIP3 OH2 -11.78182 22.30249 5.01305 W31 143 0.00000 7097 2125 TIP3 H1 -11.14049 22.85974 5.45398 W31 143 0.00000 7098 2125 TIP3 H2 -12.03211 22.79622 4.23215 W31 143 0.00000 7099 2126 TIP3 OH2 -12.70014 25.24195 9.77387 W31 144 0.00000 7100 2126 TIP3 H1 -11.76559 25.26977 9.97895 W31 144 0.00000 7101 2126 TIP3 H2 -13.02651 26.10641 10.02371 W31 144 0.00000 7102 2127 TIP3 OH2 -12.38048 18.96117 12.93724 W31 145 0.00000 7103 2127 TIP3 H1 -11.86767 18.35079 12.40744 W31 145 0.00000 7104 2127 TIP3 H2 -11.94340 18.96557 13.78881 W31 145 0.00000 7105 2128 TIP3 OH2 -11.15035 21.66310 15.03316 W31 146 0.00000 7106 2128 TIP3 H1 -11.18942 22.61499 15.12593 W31 146 0.00000 7107 2128 TIP3 H2 -10.39724 21.40108 15.56269 W31 146 0.00000 7108 2129 TIP3 OH2 -16.95992 21.88710 7.08254 W31 147 0.00000 7109 2129 TIP3 H1 -17.15365 21.92795 6.14605 W31 147 0.00000 7110 2129 TIP3 H2 -16.00442 21.85374 7.12871 W31 147 0.00000 7111 2130 TIP3 OH2 -10.68455 20.05078 3.99825 W31 148 0.00000 7112 2130 TIP3 H1 -10.99510 20.78459 4.52864 W31 148 0.00000 7113 2130 TIP3 H2 -10.73816 20.36693 3.09637 W31 148 0.00000 7114 2131 TIP3 OH2 -13.65825 20.13457 8.90993 W31 149 0.00000 7115 2131 TIP3 H1 -14.34311 19.46584 8.90723 W31 149 0.00000 7116 2131 TIP3 H2 -13.77167 20.59758 8.07988 W31 149 0.00000 7117 2132 TIP3 OH2 -10.94050 19.26401 9.83038 W31 150 0.00000 7118 2132 TIP3 H1 -11.67101 19.51293 9.26417 W31 150 0.00000 7119 2132 TIP3 H2 -10.95950 18.30705 9.83991 W31 150 0.00000 7120 2133 TIP3 OH2 -10.73256 16.47191 10.67762 W31 151 0.00000 7121 2133 TIP3 H1 -10.47581 15.87321 9.97629 W31 151 0.00000 7122 2133 TIP3 H2 -11.61028 16.18456 10.92913 W31 151 0.00000 7123 2134 TIP3 OH2 -17.28284 21.30428 4.38447 W31 152 0.00000 7124 2134 TIP3 H1 -16.49938 21.16961 3.85129 W31 152 0.00000 7125 2134 TIP3 H2 -17.77395 20.48702 4.30008 W31 152 0.00000 7126 2135 TIP3 OH2 -12.08211 17.72515 4.56571 W31 153 0.00000 7127 2135 TIP3 H1 -11.38490 17.07074 4.60905 W31 153 0.00000 7128 2135 TIP3 H2 -11.62923 18.54582 4.37173 W31 153 0.00000 7129 2136 TIP3 OH2 -13.77631 17.36004 6.60798 W31 154 0.00000 7130 2136 TIP3 H1 -13.15886 17.63365 5.92966 W31 154 0.00000 7131 2136 TIP3 H2 -14.38708 18.09289 6.68628 W31 154 0.00000 7132 2137 TIP3 OH2 -12.08644 22.01323 19.53901 W31 161 0.00000 7133 2137 TIP3 H1 -12.89151 21.96902 19.02314 W31 161 0.00000 7134 2137 TIP3 H2 -12.38580 22.09561 20.44445 W31 161 0.00000 7135 2138 TIP3 OH2 -0.98074 30.07433 14.41533 W31 162 0.00000 7136 2138 TIP3 H1 -0.63912 29.98690 15.30520 W31 162 0.00000 7137 2138 TIP3 H2 -1.13517 29.17440 14.12805 W31 162 0.00000 7138 2139 TIP3 OH2 -1.28466 27.42959 13.98872 W31 163 0.00000 7139 2139 TIP3 H1 -1.87428 27.08677 13.31712 W31 163 0.00000 7140 2139 TIP3 H2 -1.45371 26.88468 14.75730 W31 163 0.00000 7141 2140 TIP3 OH2 -5.67201 26.06787 17.33388 W31 164 0.00000 7142 2140 TIP3 H1 -4.80330 25.72516 17.54395 W31 164 0.00000 7143 2140 TIP3 H2 -5.83230 26.73867 17.99762 W31 164 0.00000 7144 2141 TIP3 OH2 1.33317 29.67996 12.89853 W31 166 0.00000 7145 2141 TIP3 H1 1.34572 30.57081 12.54858 W31 166 0.00000 7146 2141 TIP3 H2 0.63413 29.68878 13.55236 W31 166 0.00000 7147 2142 TIP3 OH2 2.11878 29.35623 9.47441 W31 167 0.00000 7148 2142 TIP3 H1 2.41419 30.22190 9.75649 W31 167 0.00000 7149 2142 TIP3 H2 2.61818 29.18030 8.67699 W31 167 0.00000 7150 2143 TIP3 OH2 -2.64234 26.80588 11.71456 W31 168 0.00000 7151 2143 TIP3 H1 -2.41390 26.23930 10.97764 W31 168 0.00000 7152 2143 TIP3 H2 -3.53436 26.54855 11.94759 W31 168 0.00000 7153 2144 TIP3 OH2 -9.15415 21.40811 16.81191 W31 170 0.00000 7154 2144 TIP3 H1 -8.64855 20.59621 16.77446 W31 170 0.00000 7155 2144 TIP3 H2 -9.06659 21.70377 17.71808 W31 170 0.00000 7156 2145 TIP3 OH2 -7.91356 19.05457 16.63962 W31 171 0.00000 7157 2145 TIP3 H1 -8.25250 19.20017 15.75636 W31 171 0.00000 7158 2145 TIP3 H2 -7.21486 18.41038 16.52538 W31 171 0.00000 7159 2146 TIP3 OH2 3.06934 28.46739 6.95050 W31 172 0.00000 7160 2146 TIP3 H1 3.17562 27.59177 7.32228 W31 172 0.00000 7161 2146 TIP3 H2 2.52121 28.33480 6.17706 W31 172 0.00000 7162 2147 TIP3 OH2 -1.00456 26.31576 9.39743 W31 173 0.00000 7163 2147 TIP3 H1 -0.59854 25.53511 9.02066 W31 173 0.00000 7164 2147 TIP3 H2 -0.38377 26.61153 10.06329 W31 173 0.00000 7165 2148 TIP3 OH2 -4.41451 22.87572 12.00511 W31 174 0.00000 7166 2148 TIP3 H1 -3.84037 22.72905 12.75684 W31 174 0.00000 7167 2148 TIP3 H2 -5.21995 22.40674 12.22318 W31 174 0.00000 7168 2149 TIP3 OH2 -6.49119 21.50638 13.44090 W31 175 0.00000 7169 2149 TIP3 H1 -7.38643 21.72205 13.17968 W31 175 0.00000 7170 2149 TIP3 H2 -6.32970 22.04763 14.21369 W31 175 0.00000 7171 2150 TIP3 OH2 -18.77095 23.39327 3.08593 W31 176 0.00000 7172 2150 TIP3 H1 -18.27477 22.84779 3.69625 W31 176 0.00000 7173 2150 TIP3 H2 -19.08021 22.78353 2.41599 W31 176 0.00000 7174 2151 TIP3 OH2 -6.53142 13.16301 12.73419 W31 177 0.00000 7175 2151 TIP3 H1 -5.67672 13.01436 12.32971 W31 177 0.00000 7176 2151 TIP3 H2 -6.41943 13.96546 13.24385 W31 177 0.00000 7177 2152 TIP3 OH2 0.28465 24.25442 7.99777 W31 178 0.00000 7178 2152 TIP3 H1 0.00560 23.34402 8.09537 W31 178 0.00000 7179 2152 TIP3 H2 0.38873 24.37365 7.05375 W31 178 0.00000 7180 2153 TIP3 OH2 -12.65503 26.60010 0.40530 W31 179 0.00000 7181 2153 TIP3 H1 -12.29565 25.72257 0.27490 W31 179 0.00000 7182 2153 TIP3 H2 -12.87004 26.63531 1.33737 W31 179 0.00000 7183 2154 TIP3 OH2 -6.45418 15.82999 13.27002 W31 181 0.00000 7184 2154 TIP3 H1 -7.13227 16.34004 12.82699 W31 181 0.00000 7185 2154 TIP3 H2 -5.67115 15.95492 12.73386 W31 181 0.00000 7186 2155 TIP3 OH2 3.82111 25.99207 8.13007 W31 182 0.00000 7187 2155 TIP3 H1 4.65323 25.69050 7.76556 W31 182 0.00000 7188 2155 TIP3 H2 4.01344 26.17221 9.05029 W31 182 0.00000 7189 2156 TIP3 OH2 -15.24426 23.42476 -0.72131 W31 185 0.00000 7190 2156 TIP3 H1 -16.03430 23.05370 -1.11423 W31 185 0.00000 7191 2156 TIP3 H2 -15.36205 24.37188 -0.79426 W31 185 0.00000 7192 2157 TIP3 OH2 -5.02972 16.34349 10.60319 W31 190 0.00000 7193 2157 TIP3 H1 -5.42148 17.08941 10.14893 W31 190 0.00000 7194 2157 TIP3 H2 -4.26571 16.11450 10.07396 W31 190 0.00000 7195 2158 TIP3 OH2 -6.10805 23.28437 5.29674 W31 199 0.00000 7196 2158 TIP3 H1 -6.51817 22.91913 4.51276 W31 199 0.00000 7197 2158 TIP3 H2 -5.16860 23.17579 5.14887 W31 199 0.00000 7198 2159 TIP3 OH2 -2.12384 20.23326 7.50106 W31 200 0.00000 7199 2159 TIP3 H1 -1.56925 20.73163 8.10129 W31 200 0.00000 7200 2159 TIP3 H2 -2.64966 20.89628 7.05369 W31 200 0.00000 7201 2160 TIP3 OH2 -0.24083 21.52810 8.85603 W31 201 0.00000 7202 2160 TIP3 H1 0.68957 21.33232 8.74536 W31 201 0.00000 7203 2160 TIP3 H2 -0.29397 21.96983 9.70354 W31 201 0.00000 7204 2161 TIP3 OH2 -9.31622 26.38348 -1.45541 W31 202 0.00000 7205 2161 TIP3 H1 -9.41779 26.82442 -2.29890 W31 202 0.00000 7206 2161 TIP3 H2 -8.70292 25.66963 -1.63010 W31 202 0.00000 7207 2162 TIP3 OH2 -6.11449 24.93266 1.48634 W31 204 0.00000 7208 2162 TIP3 H1 -5.64136 24.91988 2.31833 W31 204 0.00000 7209 2162 TIP3 H2 -6.74851 24.21934 1.55982 W31 204 0.00000 7210 2163 TIP3 OH2 -3.51937 22.00092 5.76061 W31 205 0.00000 7211 2163 TIP3 H1 -2.86738 22.67191 5.55836 W31 205 0.00000 7212 2163 TIP3 H2 -3.48613 21.40153 5.01505 W31 205 0.00000 7213 2164 TIP3 OH2 0.24588 24.43869 5.24414 W31 206 0.00000 7214 2164 TIP3 H1 -0.28778 25.22284 5.11554 W31 206 0.00000 7215 2164 TIP3 H2 0.14102 23.94136 4.43304 W31 206 0.00000 7216 2165 TIP3 OH2 -3.97180 28.01175 2.59919 W31 209 0.00000 7217 2165 TIP3 H1 -4.09272 27.06602 2.51445 W31 209 0.00000 7218 2165 TIP3 H2 -4.59671 28.27399 3.27516 W31 209 0.00000 7219 2166 TIP3 OH2 -15.86084 20.39525 2.03178 W31 212 0.00000 7220 2166 TIP3 H1 -16.14469 19.71184 1.42466 W31 212 0.00000 7221 2166 TIP3 H2 -15.45295 19.91931 2.75520 W31 212 0.00000 7222 2167 TIP3 OH2 -15.35274 18.28071 3.42603 W31 213 0.00000 7223 2167 TIP3 H1 -14.53940 17.92171 3.78073 W31 213 0.00000 7224 2167 TIP3 H2 -15.67257 17.60517 2.82806 W31 213 0.00000 7225 2168 TIP3 OH2 -9.63761 14.90714 8.65597 W31 215 0.00000 7226 2168 TIP3 H1 -10.01367 14.02843 8.70775 W31 215 0.00000 7227 2168 TIP3 H2 -8.81789 14.84667 9.14651 W31 215 0.00000 7228 2169 TIP3 OH2 -18.85929 16.91838 16.97250 W32 1 0.00000 7229 2169 TIP3 H1 -19.02630 17.60608 17.61702 W32 1 0.00000 7230 2169 TIP3 H2 -18.75430 17.38625 16.14407 W32 1 0.00000 7231 2170 TIP3 OH2 -21.60145 14.49816 16.90423 W32 2 0.00000 7232 2170 TIP3 H1 -21.88146 13.61003 16.68281 W32 2 0.00000 7233 2170 TIP3 H2 -21.14674 14.80866 16.12125 W32 2 0.00000 7234 2171 TIP3 OH2 -18.97812 16.35451 20.76811 W32 4 0.00000 7235 2171 TIP3 H1 -19.33218 15.72078 20.14421 W32 4 0.00000 7236 2171 TIP3 H2 -19.64689 16.41949 21.44983 W32 4 0.00000 7237 2172 TIP3 OH2 -24.58885 19.33326 7.16197 W32 6 0.00000 7238 2172 TIP3 H1 -25.15701 20.05863 7.42133 W32 6 0.00000 7239 2172 TIP3 H2 -24.42592 19.47749 6.22983 W32 6 0.00000 7240 2173 TIP3 OH2 -15.75554 7.32532 18.05053 W32 10 0.00000 7241 2173 TIP3 H1 -16.41670 7.22506 18.73540 W32 10 0.00000 7242 2173 TIP3 H2 -15.14363 7.97281 18.40064 W32 10 0.00000 7243 2174 TIP3 OH2 -20.01253 11.38332 16.05311 W32 11 0.00000 7244 2174 TIP3 H1 -19.61548 10.69148 15.52402 W32 11 0.00000 7245 2174 TIP3 H2 -19.53325 12.17568 15.81086 W32 11 0.00000 7246 2175 TIP3 OH2 -22.12485 14.21781 9.31491 W32 12 0.00000 7247 2175 TIP3 H1 -22.10381 15.05559 9.77743 W32 12 0.00000 7248 2175 TIP3 H2 -21.82328 14.42444 8.43027 W32 12 0.00000 7249 2176 TIP3 OH2 -15.95407 12.79688 14.01708 W32 13 0.00000 7250 2176 TIP3 H1 -15.83007 11.94577 14.43716 W32 13 0.00000 7251 2176 TIP3 H2 -15.37151 13.38740 14.49468 W32 13 0.00000 7252 2177 TIP3 OH2 -22.24088 16.27189 13.12288 W32 15 0.00000 7253 2177 TIP3 H1 -21.99426 15.37595 13.35244 W32 15 0.00000 7254 2177 TIP3 H2 -22.14915 16.30961 12.17084 W32 15 0.00000 7255 2178 TIP3 OH2 -17.47786 6.68946 20.04211 W32 16 0.00000 7256 2178 TIP3 H1 -18.09268 7.42125 19.99002 W32 16 0.00000 7257 2178 TIP3 H2 -18.02617 5.92848 20.23313 W32 16 0.00000 7258 2179 TIP3 OH2 -25.27339 11.17692 9.15829 W32 17 0.00000 7259 2179 TIP3 H1 -25.08503 12.11417 9.11031 W32 17 0.00000 7260 2179 TIP3 H2 -26.22561 11.11916 9.07976 W32 17 0.00000 7261 2180 TIP3 OH2 -19.22337 19.35807 18.25233 W32 18 0.00000 7262 2180 TIP3 H1 -18.74524 19.80892 17.55638 W32 18 0.00000 7263 2180 TIP3 H2 -19.76692 20.03841 18.64971 W32 18 0.00000 7264 2181 TIP3 OH2 -15.86222 10.41582 15.38045 W32 20 0.00000 7265 2181 TIP3 H1 -16.10553 9.62205 14.90408 W32 20 0.00000 7266 2181 TIP3 H2 -15.92444 10.17032 16.30354 W32 20 0.00000 7267 2182 TIP3 OH2 -24.80978 13.93898 9.46630 W32 21 0.00000 7268 2182 TIP3 H1 -24.86044 13.90745 10.42164 W32 21 0.00000 7269 2182 TIP3 H2 -23.87336 13.89083 9.27391 W32 21 0.00000 7270 2183 TIP3 OH2 -20.81525 15.84468 23.11798 W32 24 0.00000 7271 2183 TIP3 H1 -21.57026 16.08969 22.58305 W32 24 0.00000 7272 2183 TIP3 H2 -20.84150 16.44787 23.86075 W32 24 0.00000 7273 2184 TIP3 OH2 -17.65522 6.99054 15.98193 W32 25 0.00000 7274 2184 TIP3 H1 -18.32426 7.66829 15.88573 W32 25 0.00000 7275 2184 TIP3 H2 -16.98701 7.39025 16.53868 W32 25 0.00000 7276 2185 TIP3 OH2 -19.99257 9.73678 9.19711 W32 26 0.00000 7277 2185 TIP3 H1 -19.71871 9.17982 8.46840 W32 26 0.00000 7278 2185 TIP3 H2 -20.85551 10.06144 8.93989 W32 26 0.00000 7279 2186 TIP3 OH2 -17.85735 19.07301 20.89190 W32 28 0.00000 7280 2186 TIP3 H1 -17.39142 19.10647 20.05643 W32 28 0.00000 7281 2186 TIP3 H2 -18.22606 18.19034 20.92590 W32 28 0.00000 7282 2187 TIP3 OH2 -21.90713 11.90388 23.88614 W32 29 0.00000 7283 2187 TIP3 H1 -21.12392 11.95571 23.33830 W32 29 0.00000 7284 2187 TIP3 H2 -21.84905 12.66727 24.46069 W32 29 0.00000 7285 2188 TIP3 OH2 -17.76115 18.53927 14.76667 W32 30 0.00000 7286 2188 TIP3 H1 -18.17914 19.36770 14.53170 W32 30 0.00000 7287 2188 TIP3 H2 -16.87884 18.78583 15.04408 W32 30 0.00000 7288 2189 TIP3 OH2 -15.23668 19.46725 12.78707 W32 31 0.00000 7289 2189 TIP3 H1 -15.21118 18.81445 13.48666 W32 31 0.00000 7290 2189 TIP3 H2 -14.38843 19.38518 12.35122 W32 31 0.00000 7291 2190 TIP3 OH2 -18.16980 10.13908 22.02931 W32 32 0.00000 7292 2190 TIP3 H1 -18.89577 10.76026 22.08699 W32 32 0.00000 7293 2190 TIP3 H2 -17.38991 10.66403 22.20945 W32 32 0.00000 7294 2191 TIP3 OH2 -16.19480 16.90918 17.49394 W32 33 0.00000 7295 2191 TIP3 H1 -17.14090 16.92335 17.34927 W32 33 0.00000 7296 2191 TIP3 H2 -15.96191 15.98112 17.46785 W32 33 0.00000 7297 2192 TIP3 OH2 -21.69979 9.68110 19.23091 W32 34 0.00000 7298 2192 TIP3 H1 -22.28223 9.78219 19.98376 W32 34 0.00000 7299 2192 TIP3 H2 -21.73337 10.52799 18.78608 W32 34 0.00000 7300 2193 TIP3 OH2 -23.22977 18.85946 12.97209 W32 35 0.00000 7301 2193 TIP3 H1 -22.78100 19.26805 12.23190 W32 35 0.00000 7302 2193 TIP3 H2 -22.84518 17.98504 13.03291 W32 35 0.00000 7303 2194 TIP3 OH2 -15.12501 18.27031 15.41114 W32 40 0.00000 7304 2194 TIP3 H1 -15.28658 17.67922 16.14649 W32 40 0.00000 7305 2194 TIP3 H2 -14.52369 18.92837 15.75984 W32 40 0.00000 7306 2195 TIP3 OH2 -9.78445 11.66207 12.31471 W32 44 0.00000 7307 2195 TIP3 H1 -10.62741 11.85794 11.90571 W32 44 0.00000 7308 2195 TIP3 H2 -9.62582 12.40032 12.90297 W32 44 0.00000 7309 2196 TIP3 OH2 -21.98558 20.18281 10.87499 W32 45 0.00000 7310 2196 TIP3 H1 -22.10897 21.11946 11.02890 W32 45 0.00000 7311 2196 TIP3 H2 -22.10687 20.07662 9.93146 W32 45 0.00000 7312 2197 TIP3 OH2 -21.53208 6.74572 20.49260 W32 55 0.00000 7313 2197 TIP3 H1 -21.48336 7.68232 20.30121 W32 55 0.00000 7314 2197 TIP3 H2 -20.99795 6.33388 19.81341 W32 55 0.00000 7315 2198 TIP3 OH2 -22.63297 10.73107 8.23779 W32 57 0.00000 7316 2198 TIP3 H1 -22.90652 11.23197 7.46935 W32 57 0.00000 7317 2198 TIP3 H2 -23.21843 11.02405 8.93610 W32 57 0.00000 7318 2199 TIP3 OH2 -21.68160 6.74170 12.28590 W32 58 0.00000 7319 2199 TIP3 H1 -21.76500 5.82270 12.54027 W32 58 0.00000 7320 2199 TIP3 H2 -22.32220 6.85547 11.58383 W32 58 0.00000 7321 2200 TIP3 OH2 -21.28474 7.56759 17.29173 W32 59 0.00000 7322 2200 TIP3 H1 -22.11725 7.12335 17.13104 W32 59 0.00000 7323 2200 TIP3 H2 -21.52961 8.39056 17.71479 W32 59 0.00000 7324 2201 TIP3 OH2 -12.90428 20.04656 16.29449 W32 60 0.00000 7325 2201 TIP3 H1 -12.18202 20.50413 15.86414 W32 60 0.00000 7326 2201 TIP3 H2 -12.59770 19.90264 17.18977 W32 60 0.00000 7327 2202 TIP3 OH2 -14.26127 16.99264 9.48365 W32 61 0.00000 7328 2202 TIP3 H1 -15.05188 16.47471 9.63501 W32 61 0.00000 7329 2202 TIP3 H2 -13.94106 16.69818 8.63102 W32 61 0.00000 7330 2203 TIP3 OH2 -21.64119 16.82139 10.42305 W32 63 0.00000 7331 2203 TIP3 H1 -22.08379 16.93111 9.58144 W32 63 0.00000 7332 2203 TIP3 H2 -20.71132 16.92369 10.22033 W32 63 0.00000 7333 2204 TIP3 OH2 -17.30088 16.04218 13.99647 W32 64 0.00000 7334 2204 TIP3 H1 -17.65080 16.91609 14.16989 W32 64 0.00000 7335 2204 TIP3 H2 -16.36428 16.11817 14.17879 W32 64 0.00000 7336 2205 TIP3 OH2 -18.32236 13.46197 15.23500 W32 66 0.00000 7337 2205 TIP3 H1 -18.17800 14.40756 15.27010 W32 66 0.00000 7338 2205 TIP3 H2 -17.63412 13.13547 14.65539 W32 66 0.00000 7339 2206 TIP3 OH2 -15.88899 18.92828 7.40262 W32 68 0.00000 7340 2206 TIP3 H1 -16.51444 18.28877 7.06192 W32 68 0.00000 7341 2206 TIP3 H2 -16.15012 19.75691 7.00087 W32 68 0.00000 7342 2207 TIP3 OH2 -25.00933 16.30755 5.07610 W32 69 0.00000 7343 2207 TIP3 H1 -25.05881 15.59851 5.71722 W32 69 0.00000 7344 2207 TIP3 H2 -24.08106 16.36126 4.84883 W32 69 0.00000 7345 2208 TIP3 OH2 -21.35795 19.43092 4.89772 W32 70 0.00000 7346 2208 TIP3 H1 -20.84889 20.05680 5.41286 W32 70 0.00000 7347 2208 TIP3 H2 -22.24429 19.79223 4.88868 W32 70 0.00000 7348 2209 TIP3 OH2 -22.47329 11.68525 17.39344 W32 71 0.00000 7349 2209 TIP3 H1 -21.61866 11.58537 16.97409 W32 71 0.00000 7350 2209 TIP3 H2 -23.02890 11.03493 16.96379 W32 71 0.00000 7351 2210 TIP3 OH2 -19.78703 13.52177 10.79137 W32 72 0.00000 7352 2210 TIP3 H1 -20.60558 13.67079 10.31810 W32 72 0.00000 7353 2210 TIP3 H2 -19.97050 12.77256 11.35817 W32 72 0.00000 7354 2211 TIP3 OH2 -22.99552 17.11357 8.03827 W32 73 0.00000 7355 2211 TIP3 H1 -23.39481 17.70303 7.39849 W32 73 0.00000 7356 2211 TIP3 H2 -22.28648 16.68442 7.55940 W32 73 0.00000 7357 2212 TIP3 OH2 -18.99779 17.45838 9.69272 W32 74 0.00000 7358 2212 TIP3 H1 -18.53863 17.11499 10.45919 W32 74 0.00000 7359 2212 TIP3 H2 -18.93122 18.40935 9.77919 W32 74 0.00000 7360 2213 TIP3 OH2 -18.77123 9.36701 14.30598 W32 75 0.00000 7361 2213 TIP3 H1 -19.70887 9.23752 14.16362 W32 75 0.00000 7362 2213 TIP3 H2 -18.50306 9.96564 13.60887 W32 75 0.00000 7363 2214 TIP3 OH2 -18.65759 20.31878 8.79375 W32 76 0.00000 7364 2214 TIP3 H1 -18.43188 20.70736 7.94860 W32 76 0.00000 7365 2214 TIP3 H2 -17.88102 20.45633 9.33620 W32 76 0.00000 7366 2215 TIP3 OH2 -21.09412 13.68201 14.15854 W32 79 0.00000 7367 2215 TIP3 H1 -20.17108 13.49437 13.98820 W32 79 0.00000 7368 2215 TIP3 H2 -21.54446 12.85752 13.97515 W32 79 0.00000 7369 2216 TIP3 OH2 -20.75066 15.16011 7.05709 W32 80 0.00000 7370 2216 TIP3 H1 -20.63757 14.68778 6.23225 W32 80 0.00000 7371 2216 TIP3 H2 -19.86174 15.26936 7.39491 W32 80 0.00000 7372 2217 TIP3 OH2 -23.08