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*** Alexa_Lyz2 ***elNémo ID: 260304114903181096Job options:ID = 260304114903181096 JOBID = Alexa_Lyz2 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER Alexa_Lyz2 ATOM 1 N LYS 1 34.295 21.111 30.244 1.00 0.00 PROA N ATOM 2 HT1 LYS 1 34.654 21.209 29.266 1.00 0.00 PROA H ATOM 3 HT2 LYS 1 34.740 20.268 30.679 1.00 0.00 PROA H ATOM 4 HT3 LYS 1 34.623 21.959 30.787 1.00 0.00 PROA H ATOM 5 CA LYS 1 32.978 21.044 30.288 1.00 0.00 PROA C ATOM 6 HA LYS 1 32.899 20.201 29.614 1.00 0.00 PROA H ATOM 7 CB LYS 1 31.223 20.618 31.194 1.00 0.00 PROA C ATOM 8 HB1 LYS 1 31.568 21.368 31.990 1.00 0.00 PROA H ATOM 9 HB2 LYS 1 31.664 19.624 31.527 1.00 0.00 PROA H ATOM 10 CG LYS 1 30.290 20.611 31.035 1.00 0.00 PROA C ATOM 11 HG1 LYS 1 29.933 19.782 30.323 1.00 0.00 PROA H ATOM 12 HG2 LYS 1 29.819 21.547 30.575 1.00 0.00 PROA H ATOM 13 CD LYS 1 29.612 20.452 32.282 1.00 0.00 PROA C ATOM 14 HD1 LYS 1 29.724 21.437 32.837 1.00 0.00 PROA H ATOM 15 HD2 LYS 1 30.183 19.713 32.928 1.00 0.00 PROA H ATOM 16 CE LYS 1 28.313 20.097 32.532 1.00 0.00 PROA C ATOM 17 HE1 LYS 1 28.173 19.104 32.001 1.00 0.00 PROA H ATOM 18 HE2 LYS 1 27.714 20.808 31.875 1.00 0.00 PROA H ATOM 19 NZ LYS 1 27.548 19.992 33.663 1.00 0.00 PROA N ATOM 20 HZ1 LYS 1 28.042 20.413 34.471 1.00 0.00 PROA H ATOM 21 HZ2 LYS 1 27.308 19.002 33.883 1.00 0.00 PROA H ATOM 22 HZ3 LYS 1 26.641 20.549 33.521 1.00 0.00 PROA H ATOM 23 C LYS 1 31.982 22.368 29.382 1.00 0.00 PROA C ATOM 24 O LYS 1 32.582 23.361 29.538 1.00 0.00 PROA O ATOM 25 N VAL 2 30.844 22.375 28.207 1.00 0.00 PROA N ATOM 26 HN VAL 2 30.555 21.526 27.766 1.00 0.00 PROA H ATOM 27 CA VAL 2 30.102 23.642 27.936 1.00 0.00 PROA C ATOM 28 HA VAL 2 30.743 24.391 28.280 1.00 0.00 PROA H ATOM 29 CB VAL 2 30.342 23.207 26.465 1.00 0.00 PROA C ATOM 30 HB VAL 2 29.874 22.215 26.222 1.00 0.00 PROA H ATOM 31 CG1 VAL 2 29.540 24.207 25.909 1.00 0.00 PROA C ATOM 32 HG11 VAL 2 29.897 25.237 26.154 1.00 0.00 PROA H ATOM 33 HG12 VAL 2 28.466 24.152 26.215 1.00 0.00 PROA H ATOM 34 HG13 VAL 2 29.539 24.147 24.794 1.00 0.00 PROA H ATOM 35 CG2 VAL 2 31.734 23.203 26.147 1.00 0.00 PROA C ATOM 36 HG21 VAL 2 32.197 22.186 26.155 1.00 0.00 PROA H ATOM 37 HG22 VAL 2 32.339 23.844 26.815 1.00 0.00 PROA H ATOM 38 HG23 VAL 2 31.901 23.599 25.117 1.00 0.00 PROA H ATOM 39 C VAL 2 28.781 23.334 28.759 1.00 0.00 PROA C ATOM 40 O VAL 2 27.948 22.700 28.389 1.00 0.00 PROA O ATOM 41 N PHE 3 28.658 24.567 29.671 1.00 0.00 PROA N ATOM 42 HN PHE 3 29.413 25.208 29.767 1.00 0.00 PROA H ATOM 43 CA PHE 3 27.566 24.854 30.295 1.00 0.00 PROA C ATOM 44 HA PHE 3 27.094 23.913 30.569 1.00 0.00 PROA H ATOM 45 CB PHE 3 28.098 25.325 31.538 1.00 0.00 PROA C ATOM 46 HB1 PHE 3 27.284 26.037 31.867 1.00 0.00 PROA H ATOM 47 HB2 PHE 3 28.609 26.261 31.104 1.00 0.00 PROA H ATOM 48 CG PHE 3 28.668 25.015 32.193 1.00 0.00 PROA C ATOM 49 CD1 PHE 3 27.447 24.628 33.526 1.00 0.00 PROA C ATOM 50 HD1 PHE 3 26.445 24.704 33.145 1.00 0.00 PROA H ATOM 51 CE1 PHE 3 27.706 24.289 34.612 1.00 0.00 PROA C ATOM 52 HE1 PHE 3 27.003 24.011 35.394 1.00 0.00 PROA H ATOM 53 CZ PHE 3 29.072 24.300 34.780 1.00 0.00 PROA C ATOM 54 HZ PHE 3 29.470 24.038 35.744 1.00 0.00 PROA H ATOM 55 CD2 PHE 3 29.736 24.991 32.548 1.00 0.00 PROA C ATOM 56 HD2 PHE 3 30.482 25.301 31.795 1.00 0.00 PROA H ATOM 57 CE2 PHE 3 30.305 24.783 33.703 1.00 0.00 PROA C ATOM 58 HE2 PHE 3 31.326 24.764 33.995 1.00 0.00 PROA H ATOM 59 C PHE 3 26.383 25.476 29.036 1.00 0.00 PROA C ATOM 60 O PHE 3 26.635 25.912 28.358 1.00 0.00 PROA O ATOM 61 N GLY 4 25.115 25.373 29.971 1.00 0.00 PROA N ATOM 62 HN GLY 4 25.064 24.869 30.829 1.00 0.00 PROA H ATOM 63 CA GLY 4 24.047 25.710 29.252 1.00 0.00 PROA C ATOM 64 HA1 GLY 4 23.279 24.992 29.490 1.00 0.00 PROA H ATOM 65 HA2 GLY 4 24.189 25.873 28.188 1.00 0.00 PROA H ATOM 66 C GLY 4 23.610 27.311 30.051 1.00 0.00 PROA C ATOM 67 O GLY 4 24.344 26.973 31.095 1.00 0.00 PROA O ATOM 68 N ARG 5 22.919 27.975 29.272 1.00 0.00 PROA N ATOM 69 HN ARG 5 22.604 27.637 28.385 1.00 0.00 PROA H ATOM 70 CA ARG 5 22.881 29.098 29.581 1.00 0.00 PROA C ATOM 71 HA ARG 5 23.773 29.712 29.619 1.00 0.00 PROA H ATOM 72 CB ARG 5 21.631 29.542 29.131 1.00 0.00 PROA C ATOM 73 HB1 ARG 5 20.846 28.906 28.598 1.00 0.00 PROA H ATOM 74 HB2 ARG 5 22.052 29.566 28.048 1.00 0.00 PROA H ATOM 75 CG ARG 5 21.331 30.875 29.041 1.00 0.00 PROA C ATOM 76 HG1 ARG 5 22.313 31.430 28.880 1.00 0.00 PROA H ATOM 77 HG2 ARG 5 21.080 31.177 30.107 1.00 0.00 PROA H ATOM 78 CD ARG 5 20.440 31.406 28.280 1.00 0.00 PROA C ATOM 79 HD1 ARG 5 20.751 31.107 27.231 1.00 0.00 PROA H ATOM 80 HD2 ARG 5 20.672 32.519 28.248 1.00 0.00 PROA H ATOM 81 NE ARG 5 19.053 31.340 28.183 1.00 0.00 PROA N ATOM 82 HE ARG 5 18.652 31.001 27.338 1.00 0.00 PROA H ATOM 83 CZ ARG 5 18.495 31.565 28.735 1.00 0.00 PROA C ATOM 84 NH1 ARG 5 18.342 32.221 29.919 1.00 0.00 PROA N ATOM 85 HH11 ARG 5 17.416 32.452 30.154 1.00 0.00 PROA H ATOM 86 HH12 ARG 5 19.087 32.160 30.567 1.00 0.00 PROA H ATOM 87 NH2 ARG 5 16.628 31.964 28.552 1.00 0.00 PROA N ATOM 88 HH21 ARG 5 16.009 32.040 29.345 1.00 0.00 PROA H ATOM 89 HH22 ARG 5 16.178 31.800 27.674 1.00 0.00 PROA H ATOM 90 C ARG 5 22.455 28.833 30.700 1.00 0.00 PROA C ATOM 91 O ARG 5 22.480 29.154 31.800 1.00 0.00 PROA O ATOM 92 N CYS 6 20.889 28.459 30.736 1.00 0.00 PROA N ATOM 93 HN CYS 6 20.409 28.314 29.881 1.00 0.00 PROA H ATOM 94 CA CYS 6 19.955 28.260 32.119 1.00 0.00 PROA C ATOM 95 HA CYS 6 20.049 29.286 32.310 1.00 0.00 PROA H ATOM 96 CB CYS 6 18.953 27.495 31.961 1.00 0.00 PROA C ATOM 97 HB1 CYS 6 18.721 26.824 32.830 1.00 0.00 PROA H ATOM 98 HB2 CYS 6 19.033 26.827 31.065 1.00 0.00 PROA H ATOM 99 SG CYS 6 17.459 28.751 31.762 1.00 0.00 PROA S ATOM 100 HG1 CYS 6 16.890 28.492 32.933 1.00 0.00 PROA H ATOM 101 C CYS 6 21.057 27.645 33.480 1.00 0.00 PROA C ATOM 102 O CYS 6 21.583 27.753 34.323 1.00 0.00 PROA O ATOM 103 N GLU 7 21.925 26.494 32.912 1.00 0.00 PROA N ATOM 104 HN GLU 7 21.899 26.248 31.953 1.00 0.00 PROA H ATOM 105 CA GLU 7 22.505 25.605 33.787 1.00 0.00 PROA C ATOM 106 HA GLU 7 21.836 25.440 34.626 1.00 0.00 PROA H ATOM 107 CB GLU 7 22.716 24.643 33.352 1.00 0.00 PROA C ATOM 108 HB1 GLU 7 23.118 24.673 32.287 1.00 0.00 PROA H ATOM 109 HB2 GLU 7 21.837 23.937 33.280 1.00 0.00 PROA H ATOM 110 CG GLU 7 23.995 23.560 34.043 1.00 0.00 PROA C ATOM 111 HG1 GLU 7 23.583 23.202 35.001 1.00 0.00 PROA H ATOM 112 HG2 GLU 7 24.952 24.033 34.232 1.00 0.00 PROA H ATOM 113 CD GLU 7 24.249 22.378 33.148 1.00 0.00 PROA C ATOM 114 OE1 GLU 7 24.666 22.022 31.730 1.00 0.00 PROA O ATOM 115 OE2 GLU 7 25.292 21.623 33.540 1.00 0.00 PROA O ATOM 116 C GLU 7 23.705 26.076 34.383 1.00 0.00 PROA C ATOM 117 O GLU 7 24.020 25.944 35.582 1.00 0.00 PROA O ATOM 118 N LEU 8 24.370 26.904 34.008 1.00 0.00 PROA N ATOM 119 HN LEU 8 24.108 26.994 33.045 1.00 0.00 PROA H ATOM 120 CA LEU 8 25.382 27.960 34.153 1.00 0.00 PROA C ATOM 121 HA LEU 8 26.093 27.296 34.612 1.00 0.00 PROA H ATOM 122 CB LEU 8 26.193 28.616 33.145 1.00 0.00 PROA C ATOM 123 HB1 LEU 8 25.466 29.082 32.394 1.00 0.00 PROA H ATOM 124 HB2 LEU 8 26.690 27.808 32.525 1.00 0.00 PROA H ATOM 125 CG LEU 8 26.832 29.262 33.528 1.00 0.00 PROA C ATOM 126 HG LEU 8 26.428 30.205 34.015 1.00 0.00 PROA H ATOM 127 CD1 LEU 8 28.119 28.572 34.705 1.00 0.00 PROA C ATOM 128 HD11 LEU 8 28.804 27.989 34.070 1.00 0.00 PROA H ATOM 129 HD12 LEU 8 27.703 27.934 35.482 1.00 0.00 PROA H ATOM 130 HD13 LEU 8 28.636 29.438 35.139 1.00 0.00 PROA H ATOM 131 CD2 LEU 8 28.096 30.307 32.772 1.00 0.00 PROA C ATOM 132 HD21 LEU 8 27.594 30.926 32.013 1.00 0.00 PROA H ATOM 133 HD22 LEU 8 28.837 29.637 32.310 1.00 0.00 PROA H ATOM 134 HD23 LEU 8 28.549 30.930 33.558 1.00 0.00 PROA H ATOM 135 C LEU 8 25.073 28.708 35.120 1.00 0.00 PROA C ATOM 136 O LEU 8 25.831 29.099 36.127 1.00 0.00 PROA O ATOM 137 N ALA 9 23.514 29.352 34.915 1.00 0.00 PROA N ATOM 138 HN ALA 9 22.886 28.950 34.242 1.00 0.00 PROA H ATOM 139 CA ALA 9 23.137 30.329 35.555 1.00 0.00 PROA C ATOM 140 HA ALA 9 23.894 31.095 35.494 1.00 0.00 PROA H ATOM 141 CB ALA 9 21.895 30.835 35.276 1.00 0.00 PROA C ATOM 142 HB1 ALA 9 21.047 30.103 35.299 1.00 0.00 PROA H ATOM 143 HB2 ALA 9 21.882 31.229 34.226 1.00 0.00 PROA H ATOM 144 HB3 ALA 9 21.593 31.705 35.918 1.00 0.00 PROA H ATOM 145 C ALA 9 23.137 29.921 36.690 1.00 0.00 PROA C ATOM 146 O ALA 9 23.517 30.514 37.801 1.00 0.00 PROA O ATOM 147 N ALA 10 22.059 28.470 36.947 1.00 0.00 PROA N ATOM 148 HN ALA 10 21.636 27.953 36.198 1.00 0.00 PROA H ATOM 149 CA ALA 10 22.049 27.986 38.503 1.00 0.00 PROA C ATOM 150 HA ALA 10 21.498 28.687 39.111 1.00 0.00 PROA H ATOM 151 CB ALA 10 21.321 26.330 38.465 1.00 0.00 PROA C ATOM 152 HB1 ALA 10 21.939 25.696 37.808 1.00 0.00 PROA H ATOM 153 HB2 ALA 10 20.309 26.449 38.042 1.00 0.00 PROA H ATOM 154 HB3 ALA 10 21.279 25.948 39.496 1.00 0.00 PROA H ATOM 155 C ALA 10 23.483 27.569 39.270 1.00 0.00 PROA C ATOM 156 O ALA 10 23.747 28.020 40.299 1.00 0.00 PROA O ATOM 157 N ALA 11 23.998 27.234 38.862 1.00 0.00 PROA N ATOM 158 HN ALA 11 23.703 27.001 37.937 1.00 0.00 PROA H ATOM 159 CA ALA 11 25.480 26.857 39.070 1.00 0.00 PROA C ATOM 160 HA ALA 11 25.444 26.025 39.766 1.00 0.00 PROA H ATOM 161 CB ALA 11 26.482 26.299 37.970 1.00 0.00 PROA C ATOM 162 HB1 ALA 11 26.709 27.080 37.221 1.00 0.00 PROA H ATOM 163 HB2 ALA 11 26.019 25.439 37.445 1.00 0.00 PROA H ATOM 164 HB3 ALA 11 27.428 25.963 38.441 1.00 0.00 PROA H ATOM 165 C ALA 11 26.177 28.071 39.967 1.00 0.00 PROA C ATOM 166 O ALA 11 26.634 27.753 41.125 1.00 0.00 PROA O ATOM 167 N MET 12 26.165 29.046 39.205 1.00 0.00 PROA N ATOM 168 HN MET 12 25.790 29.002 38.275 1.00 0.00 PROA H ATOM 169 CA MET 12 26.765 30.370 39.675 1.00 0.00 PROA C ATOM 170 HA MET 12 27.747 30.155 40.076 1.00 0.00 PROA H ATOM 171 CB MET 12 26.940 31.386 38.635 1.00 0.00 PROA C ATOM 172 HB1 MET 12 27.249 32.391 39.025 1.00 0.00 PROA H ATOM 173 HB2 MET 12 25.965 31.542 38.101 1.00 0.00 PROA H ATOM 174 CG MET 12 27.973 31.059 37.541 1.00 0.00 PROA C ATOM 175 HG1 MET 12 27.711 30.106 37.049 1.00 0.00 PROA H ATOM 176 HG2 MET 12 28.964 30.902 38.017 1.00 0.00 PROA H ATOM 177 SD MET 12 28.088 32.367 36.347 1.00 0.00 PROA S ATOM 178 CE MET 12 29.123 33.537 37.201 1.00 0.00 PROA C ATOM 179 HE1 MET 12 29.973 32.895 37.508 1.00 0.00 PROA H ATOM 180 HE2 MET 12 28.441 34.102 37.868 1.00 0.00 PROA H ATOM 181 HE3 MET 12 29.642 34.200 36.478 1.00 0.00 PROA H ATOM 182 C MET 12 26.089 31.083 40.687 1.00 0.00 PROA C ATOM 183 O MET 12 26.884 31.655 41.965 1.00 0.00 PROA O ATOM 184 N LYS 13 24.850 30.862 40.636 1.00 0.00 PROA N ATOM 185 HN LYS 13 24.393 30.421 39.860 1.00 0.00 PROA H ATOM 186 CA LYS 13 24.144 30.916 42.098 1.00 0.00 PROA C ATOM 187 HA LYS 13 24.280 31.971 42.299 1.00 0.00 PROA H ATOM 188 CB LYS 13 22.584 30.899 41.264 1.00 0.00 PROA C ATOM 189 HB1 LYS 13 22.269 29.854 41.132 1.00 0.00 PROA H ATOM 190 HB2 LYS 13 22.647 31.441 40.314 1.00 0.00 PROA H ATOM 191 CG LYS 13 21.912 31.642 42.362 1.00 0.00 PROA C ATOM 192 HG1 LYS 13 22.291 32.700 42.383 1.00 0.00 PROA H ATOM 193 HG2 LYS 13 22.085 31.210 43.378 1.00 0.00 PROA H ATOM 194 CD LYS 13 20.506 31.635 42.244 1.00 0.00 PROA C ATOM 195 HD1 LYS 13 20.333 30.506 42.221 1.00 0.00 PROA H ATOM 196 HD2 LYS 13 20.297 32.052 41.210 1.00 0.00 PROA H ATOM 197 CE LYS 13 19.961 32.399 43.275 1.00 0.00 PROA C ATOM 198 HE1 LYS 13 19.875 33.491 43.145 1.00 0.00 PROA H ATOM 199 HE2 LYS 13 20.104 32.071 44.319 1.00 0.00 PROA H ATOM 200 NZ LYS 13 18.541 31.738 42.771 1.00 0.00 PROA N ATOM 201 HZ1 LYS 13 18.458 30.707 42.727 1.00 0.00 PROA H ATOM 202 HZ2 LYS 13 18.266 32.128 41.857 1.00 0.00 PROA H ATOM 203 HZ3 LYS 13 17.777 32.018 43.406 1.00 0.00 PROA H ATOM 204 C LYS 13 24.348 30.475 43.571 1.00 0.00 PROA C ATOM 205 O LYS 13 24.926 31.202 44.663 1.00 0.00 PROA O ATOM 206 N ARG 14 24.046 28.988 43.185 1.00 0.00 PROA N ATOM 207 HN ARG 14 23.635 28.792 42.291 1.00 0.00 PROA H ATOM 208 CA ARG 14 24.736 27.764 43.835 1.00 0.00 PROA C ATOM 209 HA ARG 14 25.171 27.471 42.894 1.00 0.00 PROA H ATOM 210 CB ARG 14 24.657 26.403 44.215 1.00 0.00 PROA C ATOM 211 HB1 ARG 14 24.083 26.610 45.187 1.00 0.00 PROA H ATOM 212 HB2 ARG 14 25.741 26.201 44.455 1.00 0.00 PROA H ATOM 213 CG ARG 14 24.109 25.482 43.586 1.00 0.00 PROA C ATOM 214 HG1 ARG 14 24.510 25.144 42.605 1.00 0.00 PROA H ATOM 215 HG2 ARG 14 22.993 25.454 43.586 1.00 0.00 PROA H ATOM 216 CD ARG 14 24.678 24.517 44.883 1.00 0.00 PROA C ATOM 217 HD1 ARG 14 24.024 23.618 44.861 1.00 0.00 PROA H ATOM 218 HD2 ARG 14 24.618 24.924 45.906 1.00 0.00 PROA H ATOM 219 NE ARG 14 26.003 24.099 44.288 1.00 0.00 PROA N ATOM 220 HE ARG 14 26.055 23.597 43.421 1.00 0.00 PROA H ATOM 221 CZ ARG 14 27.014 23.856 45.124 1.00 0.00 PROA C ATOM 222 NH1 ARG 14 26.792 24.315 46.438 1.00 0.00 PROA N ATOM 223 HH11 ARG 14 26.016 24.880 46.657 1.00 0.00 PROA H ATOM 224 HH12 ARG 14 27.506 24.148 47.116 1.00 0.00 PROA H ATOM 225 NH2 ARG 14 28.193 23.280 44.847 1.00 0.00 PROA N ATOM 226 HH21 ARG 14 28.245 22.819 43.964 1.00 0.00 PROA H ATOM 227 HH22 ARG 14 28.695 22.835 45.604 1.00 0.00 PROA H ATOM 228 C ARG 14 26.031 28.322 44.585 1.00 0.00 PROA C ATOM 229 O ARG 14 26.418 28.863 45.961 1.00 0.00 PROA O ATOM 230 N HSD 15 26.921 28.958 44.069 1.00 0.00 PROA N ATOM 231 HN HSD 15 26.735 29.059 43.095 1.00 0.00 PROA H ATOM 232 CA HSD 15 28.310 29.583 44.294 1.00 0.00 PROA C ATOM 233 HA HSD 15 28.695 28.997 45.118 1.00 0.00 PROA H ATOM 234 CB HSD 15 29.210 29.206 43.183 1.00 0.00 PROA C ATOM 235 HB1 HSD 15 30.155 29.757 43.364 1.00 0.00 PROA H ATOM 236 HB2 HSD 15 28.821 29.550 42.196 1.00 0.00 PROA H ATOM 237 ND1 HSD 15 29.088 27.054 42.398 1.00 0.00 PROA N ATOM 238 HD1 HSD 15 28.253 27.222 41.853 1.00 0.00 PROA H ATOM 239 CG HSD 15 29.706 27.975 43.168 1.00 0.00 PROA C ATOM 240 CE1 HSD 15 29.678 25.909 42.537 1.00 0.00 PROA C ATOM 241 HE1 HSD 15 29.379 25.009 41.994 1.00 0.00 PROA H ATOM 242 NE2 HSD 15 30.868 25.974 43.240 1.00 0.00 PROA N ATOM 243 CD2 HSD 15 30.802 27.310 43.765 1.00 0.00 PROA C ATOM 244 HD2 HSD 15 31.577 27.681 44.417 1.00 0.00 PROA H ATOM 245 C HSD 15 28.553 31.049 44.890 1.00 0.00 PROA C ATOM 246 O HSD 15 29.311 31.537 45.126 1.00 0.00 PROA O ATOM 247 N GLY 16 27.452 31.801 45.385 1.00 0.00 PROA N ATOM 248 HN GLY 16 26.521 31.439 45.264 1.00 0.00 PROA H ATOM 249 CA GLY 16 27.646 33.324 45.768 1.00 0.00 PROA C ATOM 250 HA1 GLY 16 28.577 33.452 46.301 1.00 0.00 PROA H ATOM 251 HA2 GLY 16 26.810 33.574 46.397 1.00 0.00 PROA H ATOM 252 C GLY 16 27.605 34.493 44.542 1.00 0.00 PROA C ATOM 253 O GLY 16 27.697 35.438 45.055 1.00 0.00 PROA O ATOM 254 N LEU 17 27.621 34.168 43.390 1.00 0.00 PROA N ATOM 255 HN LEU 17 27.550 33.196 43.160 1.00 0.00 PROA H ATOM 256 CA LEU 17 27.723 35.152 42.125 1.00 0.00 PROA C ATOM 257 HA LEU 17 28.458 35.865 42.432 1.00 0.00 PROA H ATOM 258 CB LEU 17 28.043 34.696 41.145 1.00 0.00 PROA C ATOM 259 HB1 LEU 17 27.936 35.447 40.287 1.00 0.00 PROA H ATOM 260 HB2 LEU 17 27.295 33.895 40.838 1.00 0.00 PROA H ATOM 261 CG LEU 17 29.309 34.144 40.851 1.00 0.00 PROA C ATOM 262 HG LEU 17 29.517 33.311 41.575 1.00 0.00 PROA H ATOM 263 CD1 LEU 17 29.901 33.752 39.577 1.00 0.00 PROA C ATOM 264 HD11 LEU 17 29.941 34.691 38.974 1.00 0.00 PROA H ATOM 265 HD12 LEU 17 29.328 32.827 39.339 1.00 0.00 PROA H ATOM 266 HD13 LEU 17 30.960 33.436 39.716 1.00 0.00 PROA H ATOM 267 CD2 LEU 17 30.358 35.381 41.265 1.00 0.00 PROA C ATOM 268 HD21 LEU 17 30.380 35.533 42.358 1.00 0.00 PROA H ATOM 269 HD22 LEU 17 30.054 36.310 40.751 1.00 0.00 PROA H ATOM 270 HD23 LEU 17 31.384 35.120 40.948 1.00 0.00 PROA H ATOM 271 C LEU 17 26.579 36.107 42.401 1.00 0.00 PROA C ATOM 272 O LEU 17 26.804 37.181 41.482 1.00 0.00 PROA O ATOM 273 N ASP 18 25.280 35.753 42.651 1.00 0.00 PROA N ATOM 274 HN ASP 18 25.034 34.918 43.129 1.00 0.00 PROA H ATOM 275 CA ASP 18 24.303 36.590 42.223 1.00 0.00 PROA C ATOM 276 HA ASP 18 24.451 36.900 41.193 1.00 0.00 PROA H ATOM 277 CB ASP 18 22.974 36.003 42.466 1.00 0.00 PROA C ATOM 278 HB1 ASP 18 22.882 35.716 43.565 1.00 0.00 PROA H ATOM 279 HB2 ASP 18 23.036 34.986 41.952 1.00 0.00 PROA H ATOM 280 CG ASP 18 22.053 36.518 42.107 1.00 0.00 PROA C ATOM 281 OD1 ASP 18 21.634 37.524 41.581 1.00 0.00 PROA O ATOM 282 OD2 ASP 18 20.687 35.789 42.262 1.00 0.00 PROA O ATOM 283 C ASP 18 24.288 37.787 43.139 1.00 0.00 PROA C ATOM 284 O ASP 18 25.012 37.801 44.147 1.00 0.00 PROA O ATOM 285 N ASN 19 24.149 39.074 42.759 1.00 0.00 PROA N ATOM 286 HN ASN 19 23.803 39.289 41.851 1.00 0.00 PROA H ATOM 287 CA ASN 19 24.640 40.090 43.503 1.00 0.00 PROA C ATOM 288 HA ASN 19 24.619 40.898 42.783 1.00 0.00 PROA H ATOM 289 CB ASN 19 23.337 40.366 44.298 1.00 0.00 PROA C ATOM 290 HB1 ASN 19 23.423 41.259 44.937 1.00 0.00 PROA H ATOM 291 HB2 ASN 19 23.019 39.522 44.920 1.00 0.00 PROA H ATOM 292 CG ASN 19 22.152 40.873 43.131 1.00 0.00 PROA C ATOM 293 OD1 ASN 19 22.120 41.908 42.347 1.00 0.00 PROA O ATOM 294 ND2 ASN 19 21.431 39.923 43.214 1.00 0.00 PROA N ATOM 295 HD21 ASN 19 20.700 39.813 42.550 1.00 0.00 PROA H ATOM 296 HD22 ASN 19 21.733 39.111 43.705 1.00 0.00 PROA H ATOM 297 C ASN 19 26.037 40.250 43.857 1.00 0.00 PROA C ATOM 298 O ASN 19 25.746 41.136 44.574 1.00 0.00 PROA O ATOM 299 N TYR 20 26.867 39.548 43.562 1.00 0.00 PROA N ATOM 300 HN TYR 20 26.757 38.754 42.964 1.00 0.00 PROA H ATOM 301 CA TYR 20 27.844 39.798 44.163 1.00 0.00 PROA C ATOM 302 HA TYR 20 27.725 39.705 45.256 1.00 0.00 PROA H ATOM 303 CB TYR 20 28.859 38.493 43.640 1.00 0.00 PROA C ATOM 304 HB1 TYR 20 29.192 38.600 42.595 1.00 0.00 PROA H ATOM 305 HB2 TYR 20 28.322 37.550 43.816 1.00 0.00 PROA H ATOM 306 CG TYR 20 29.929 38.601 44.582 1.00 0.00 PROA C ATOM 307 CD1 TYR 20 29.770 38.468 45.822 1.00 0.00 PROA C ATOM 308 HD1 TYR 20 28.816 38.178 46.240 1.00 0.00 PROA H ATOM 309 CE1 TYR 20 31.023 38.158 46.858 1.00 0.00 PROA C ATOM 310 HE1 TYR 20 30.962 37.896 47.866 1.00 0.00 PROA H ATOM 311 CZ TYR 20 32.658 38.742 46.098 1.00 0.00 PROA C ATOM 312 OH TYR 20 34.025 38.885 46.854 1.00 0.00 PROA O ATOM 313 HH TYR 20 34.494 39.646 46.486 1.00 0.00 PROA H ATOM 314 CD2 TYR 20 31.569 39.216 43.909 1.00 0.00 PROA C ATOM 315 HD2 TYR 20 31.552 39.479 42.886 1.00 0.00 PROA H ATOM 316 CE2 TYR 20 32.724 39.348 44.833 1.00 0.00 PROA C ATOM 317 HE2 TYR 20 33.682 39.702 44.527 1.00 0.00 PROA H ATOM 318 C TYR 20 28.690 40.851 43.833 1.00 0.00 PROA C ATOM 319 O TYR 20 28.724 41.638 42.697 1.00 0.00 PROA O ATOM 320 N ARG 21 29.037 41.409 44.667 1.00 0.00 PROA N ATOM 321 HN ARG 21 29.043 40.991 45.569 1.00 0.00 PROA H ATOM 322 CA ARG 21 29.467 43.227 44.622 1.00 0.00 PROA C ATOM 323 HA ARG 21 29.492 43.605 45.628 1.00 0.00 PROA H ATOM 324 CB ARG 21 30.999 43.433 43.722 1.00 0.00 PROA C ATOM 325 HB1 ARG 21 30.966 44.442 43.248 1.00 0.00 PROA H ATOM 326 HB2 ARG 21 30.982 42.665 42.918 1.00 0.00 PROA H ATOM 327 CG ARG 21 31.886 43.316 44.619 1.00 0.00 PROA C ATOM 328 HG1 ARG 21 32.881 43.378 44.094 1.00 0.00 PROA H ATOM 329 HG2 ARG 21 31.870 42.331 45.149 1.00 0.00 PROA H ATOM 330 CD ARG 21 31.923 44.489 45.833 1.00 0.00 PROA C ATOM 331 HD1 ARG 21 31.192 44.261 46.620 1.00 0.00 PROA H ATOM 332 HD2 ARG 21 31.766 45.478 45.388 1.00 0.00 PROA H ATOM 333 NE ARG 21 33.499 44.085 46.289 1.00 0.00 PROA N ATOM 334 HE ARG 21 33.789 43.206 46.660 1.00 0.00 PROA H ATOM 335 CZ ARG 21 34.148 45.136 46.565 1.00 0.00 PROA C ATOM 336 NH1 ARG 21 33.923 46.496 45.430 1.00 0.00 PROA N ATOM 337 HH11 ARG 21 33.056 46.574 44.933 1.00 0.00 PROA H ATOM 338 HH12 ARG 21 34.175 47.414 45.782 1.00 0.00 PROA H ATOM 339 NH2 ARG 21 35.162 45.238 47.122 1.00 0.00 PROA N ATOM 340 HH21 ARG 21 35.740 45.969 46.784 1.00 0.00 PROA H ATOM 341 HH22 ARG 21 35.629 44.474 47.578 1.00 0.00 PROA H ATOM 342 C ARG 21 28.412 43.888 43.974 1.00 0.00 PROA C ATOM 343 O ARG 21 28.549 44.824 43.163 1.00 0.00 PROA O ATOM 344 N GLY 22 27.003 43.652 44.042 1.00 0.00 PROA N ATOM 345 HN GLY 22 26.706 42.823 44.522 1.00 0.00 PROA H ATOM 346 CA GLY 22 25.994 44.340 43.427 1.00 0.00 PROA C ATOM 347 HA1 GLY 22 26.070 45.379 43.718 1.00 0.00 PROA H ATOM 348 HA2 GLY 22 25.064 43.887 43.737 1.00 0.00 PROA H ATOM 349 C GLY 22 25.982 44.324 41.721 1.00 0.00 PROA C ATOM 350 O GLY 22 25.285 44.843 40.948 1.00 0.00 PROA O ATOM 351 N TYR 23 26.656 42.956 41.350 1.00 0.00 PROA N ATOM 352 HN TYR 23 27.288 42.450 41.946 1.00 0.00 PROA H ATOM 353 CA TYR 23 26.544 42.593 39.589 1.00 0.00 PROA C ATOM 354 HA TYR 23 26.119 43.444 39.073 1.00 0.00 PROA H ATOM 355 CB TYR 23 27.795 42.359 39.175 1.00 0.00 PROA C ATOM 356 HB1 TYR 23 27.786 41.835 38.180 1.00 0.00 PROA H ATOM 357 HB2 TYR 23 28.228 41.576 39.857 1.00 0.00 PROA H ATOM 358 CG TYR 23 28.643 43.215 39.117 1.00 0.00 PROA C ATOM 359 CD1 TYR 23 28.469 44.219 37.965 1.00 0.00 PROA C ATOM 360 HD1 TYR 23 27.606 44.072 37.322 1.00 0.00 PROA H ATOM 361 CE1 TYR 23 29.107 45.177 37.984 1.00 0.00 PROA C ATOM 362 HE1 TYR 23 28.808 45.875 37.179 1.00 0.00 PROA H ATOM 363 CZ TYR 23 30.198 45.652 38.490 1.00 0.00 PROA C ATOM 364 OH TYR 23 31.092 46.764 38.280 1.00 0.00 PROA O ATOM 365 HH TYR 23 31.269 47.160 39.142 1.00 0.00 PROA H ATOM 366 CD2 TYR 23 29.777 43.603 39.749 1.00 0.00 PROA C ATOM 367 HD2 TYR 23 30.079 42.997 40.601 1.00 0.00 PROA H ATOM 368 CE2 TYR 23 30.418 44.791 39.582 1.00 0.00 PROA C ATOM 369 HE2 TYR 23 31.265 45.000 40.227 1.00 0.00 PROA H ATOM 370 C TYR 23 25.253 41.658 40.059 1.00 0.00 PROA C ATOM 371 O TYR 23 25.714 40.264 40.452 1.00 0.00 PROA O ATOM 372 N SER 24 24.057 41.644 39.093 1.00 0.00 PROA N ATOM 373 HN SER 24 23.803 42.518 38.692 1.00 0.00 PROA H ATOM 374 CA SER 24 23.412 40.738 38.809 1.00 0.00 PROA C ATOM 375 HA SER 24 22.811 40.618 39.702 1.00 0.00 PROA H ATOM 376 CB SER 24 22.380 41.353 37.589 1.00 0.00 PROA C ATOM 377 HB1 SER 24 22.801 41.766 36.712 1.00 0.00 PROA H ATOM 378 HB2 SER 24 21.652 42.032 38.058 1.00 0.00 PROA H ATOM 379 OG SER 24 21.740 40.147 37.077 1.00 0.00 PROA O ATOM 380 HG1 SER 24 21.023 39.926 37.691 1.00 0.00 PROA H ATOM 381 C SER 24 23.281 39.383 38.212 1.00 0.00 PROA C ATOM 382 O SER 24 24.431 39.759 37.330 1.00 0.00 PROA O ATOM 383 N LEU 25 22.675 38.263 38.742 1.00 0.00 PROA N ATOM 384 HN LEU 25 22.142 38.116 39.586 1.00 0.00 PROA H ATOM 385 CA LEU 25 23.127 37.215 37.827 1.00 0.00 PROA C ATOM 386 HA LEU 25 24.126 37.042 38.209 1.00 0.00 PROA H ATOM 387 CB LEU 25 22.544 36.150 38.285 1.00 0.00 PROA C ATOM 388 HB1 LEU 25 21.584 35.972 37.694 1.00 0.00 PROA H ATOM 389 HB2 LEU 25 22.045 36.348 39.297 1.00 0.00 PROA H ATOM 390 CG LEU 25 23.030 34.957 38.599 1.00 0.00 PROA C ATOM 391 HG LEU 25 23.757 34.823 39.414 1.00 0.00 PROA H ATOM 392 CD1 LEU 25 21.844 33.740 38.580 1.00 0.00 PROA C ATOM 393 HD11 LEU 25 21.116 33.771 37.755 1.00 0.00 PROA H ATOM 394 HD12 LEU 25 21.219 34.022 39.458 1.00 0.00 PROA H ATOM 395 HD13 LEU 25 22.166 32.721 38.841 1.00 0.00 PROA H ATOM 396 CD2 LEU 25 23.253 33.855 37.334 1.00 0.00 PROA C ATOM 397 HD21 LEU 25 24.212 34.223 36.919 1.00 0.00 PROA H ATOM 398 HD22 LEU 25 22.550 33.949 36.490 1.00 0.00 PROA H ATOM 399 HD23 LEU 25 23.545 32.828 37.591 1.00 0.00 PROA H ATOM 400 C LEU 25 23.401 37.044 36.449 1.00 0.00 PROA C ATOM 401 O LEU 25 24.368 36.323 35.756 1.00 0.00 PROA O ATOM 402 N GLY 26 22.984 37.574 35.646 1.00 0.00 PROA N ATOM 403 HN GLY 26 22.440 38.253 36.144 1.00 0.00 PROA H ATOM 404 CA GLY 26 22.696 37.908 34.369 1.00 0.00 PROA C ATOM 405 HA1 GLY 26 21.950 38.691 34.365 1.00 0.00 PROA H ATOM 406 HA2 GLY 26 22.399 37.017 33.834 1.00 0.00 PROA H ATOM 407 C GLY 26 23.730 38.358 33.812 1.00 0.00 PROA C ATOM 408 O GLY 26 24.516 38.285 32.840 1.00 0.00 PROA O ATOM 409 N ASN 27 24.706 39.137 34.457 1.00 0.00 PROA N ATOM 410 HN ASN 27 24.492 39.161 35.434 1.00 0.00 PROA H ATOM 411 CA ASN 27 25.835 40.119 34.276 1.00 0.00 PROA C ATOM 412 HA ASN 27 25.673 40.560 33.295 1.00 0.00 PROA H ATOM 413 CB ASN 27 26.451 40.925 35.139 1.00 0.00 PROA C ATOM 414 HB1 ASN 27 27.557 41.077 35.003 1.00 0.00 PROA H ATOM 415 HB2 ASN 27 26.292 40.700 36.217 1.00 0.00 PROA H ATOM 416 CG ASN 27 25.863 42.299 34.814 1.00 0.00 PROA C ATOM 417 OD1 ASN 27 25.883 43.309 34.329 1.00 0.00 PROA O ATOM 418 ND2 ASN 27 24.434 43.000 35.898 1.00 0.00 PROA N ATOM 419 HD21 ASN 27 24.095 43.907 35.659 1.00 0.00 PROA H ATOM 420 HD22 ASN 27 24.116 42.456 36.666 1.00 0.00 PROA H ATOM 421 C ASN 27 26.884 38.962 33.938 1.00 0.00 PROA C ATOM 422 O ASN 27 27.504 39.332 32.714 1.00 0.00 PROA O ATOM 423 N TRP 28 26.877 37.963 34.859 1.00 0.00 PROA N ATOM 424 HN TRP 28 26.155 38.045 35.539 1.00 0.00 PROA H ATOM 425 CA TRP 28 27.649 36.929 35.136 1.00 0.00 PROA C ATOM 426 HA TRP 28 28.667 37.297 35.096 1.00 0.00 PROA H ATOM 427 CB TRP 28 27.490 36.153 36.425 1.00 0.00 PROA C ATOM 428 HB1 TRP 28 28.305 35.479 36.378 1.00 0.00 PROA H ATOM 429 HB2 TRP 28 26.527 35.632 36.588 1.00 0.00 PROA H ATOM 430 CG TRP 28 27.867 37.160 37.673 1.00 0.00 PROA C ATOM 431 CD1 TRP 28 27.093 37.870 38.353 1.00 0.00 PROA C ATOM 432 HD1 TRP 28 26.017 37.934 38.373 1.00 0.00 PROA H ATOM 433 NE1 TRP 28 28.005 38.368 39.306 1.00 0.00 PROA N ATOM 434 HE1 TRP 28 27.631 38.696 40.153 1.00 0.00 PROA H ATOM 435 CE2 TRP 28 29.165 38.296 39.231 1.00 0.00 PROA C ATOM 436 CD2 TRP 28 29.335 37.435 38.076 1.00 0.00 PROA C ATOM 437 CE3 TRP 28 30.410 37.123 37.609 1.00 0.00 PROA C ATOM 438 HE3 TRP 28 30.506 36.442 36.777 1.00 0.00 PROA H ATOM 439 CZ3 TRP 28 31.617 37.855 38.105 1.00 0.00 PROA C ATOM 440 HZ3 TRP 28 32.585 37.607 37.701 1.00 0.00 PROA H ATOM 441 CZ2 TRP 28 30.244 39.008 39.794 1.00 0.00 PROA C ATOM 442 HZ2 TRP 28 30.133 39.684 40.622 1.00 0.00 PROA H ATOM 443 CH2 TRP 28 31.506 38.539 39.323 1.00 0.00 PROA C ATOM 444 HH2 TRP 28 32.405 38.936 39.768 1.00 0.00 PROA H ATOM 445 C TRP 28 27.595 35.732 34.079 1.00 0.00 PROA C ATOM 446 O TRP 28 28.376 35.086 33.571 1.00 0.00 PROA O ATOM 447 N VAL 29 26.473 35.552 33.610 1.00 0.00 PROA N ATOM 448 HN VAL 29 25.767 36.130 34.020 1.00 0.00 PROA H ATOM 449 CA VAL 29 25.909 34.506 32.638 1.00 0.00 PROA C ATOM 450 HA VAL 29 26.516 33.615 32.734 1.00 0.00 PROA H ATOM 451 CB VAL 29 24.395 34.108 32.974 1.00 0.00 PROA C ATOM 452 HB VAL 29 23.785 35.040 33.064 1.00 0.00 PROA H ATOM 453 CG1 VAL 29 24.159 33.444 31.729 1.00 0.00 PROA C ATOM 454 HG11 VAL 29 24.918 32.657 31.498 1.00 0.00 PROA H ATOM 455 HG12 VAL 29 24.025 34.098 30.843 1.00 0.00 PROA H ATOM 456 HG13 VAL 29 23.190 32.892 31.805 1.00 0.00 PROA H ATOM 457 CG2 VAL 29 24.455 33.407 34.264 1.00 0.00 PROA C ATOM 458 HG21 VAL 29 24.939 34.028 35.045 1.00 0.00 PROA H ATOM 459 HG22 VAL 29 25.051 32.469 34.179 1.00 0.00 PROA H ATOM 460 HG23 VAL 29 23.433 33.136 34.607 1.00 0.00 PROA H ATOM 461 C VAL 29 26.206 35.065 31.224 1.00 0.00 PROA C ATOM 462 O VAL 29 26.785 34.565 30.285 1.00 0.00 PROA O ATOM 463 N CYS 30 25.914 36.244 30.898 1.00 0.00 PROA N ATOM 464 HN CYS 30 25.444 36.843 31.549 1.00 0.00 PROA H ATOM 465 CA CYS 30 26.348 36.885 29.586 1.00 0.00 PROA C ATOM 466 HA CYS 30 26.119 36.250 28.741 1.00 0.00 PROA H ATOM 467 CB CYS 30 25.426 38.373 29.493 1.00 0.00 PROA C ATOM 468 HB1 CYS 30 25.650 38.893 30.447 1.00 0.00 PROA H ATOM 469 HB2 CYS 30 24.390 38.081 29.536 1.00 0.00 PROA H ATOM 470 SG CYS 30 25.915 39.333 28.201 1.00 0.00 PROA S ATOM 471 HG1 CYS 30 25.518 40.488 28.715 1.00 0.00 PROA H ATOM 472 C CYS 30 27.588 37.220 29.545 1.00 0.00 PROA C ATOM 473 O CYS 30 28.450 36.877 28.570 1.00 0.00 PROA O ATOM 474 N ALA 31 28.518 37.214 30.297 1.00 0.00 PROA N ATOM 475 HN ALA 31 28.123 37.033 31.193 1.00 0.00 PROA H ATOM 476 CA ALA 31 29.698 37.413 30.557 1.00 0.00 PROA C ATOM 477 HA ALA 31 29.936 38.173 29.820 1.00 0.00 PROA H ATOM 478 CB ALA 31 30.892 38.171 31.976 1.00 0.00 PROA C ATOM 479 HB1 ALA 31 31.068 37.301 32.611 1.00 0.00 PROA H ATOM 480 HB2 ALA 31 30.290 38.959 32.440 1.00 0.00 PROA H ATOM 481 HB3 ALA 31 31.780 38.520 31.436 1.00 0.00 PROA H ATOM 482 C ALA 31 30.657 36.203 30.150 1.00 0.00 PROA C ATOM 483 O ALA 31 31.505 36.511 29.370 1.00 0.00 PROA O ATOM 484 N ALA 32 30.284 35.150 30.439 1.00 0.00 PROA N ATOM 485 HN ALA 32 29.318 35.071 30.658 1.00 0.00 PROA H ATOM 486 CA ALA 32 31.008 34.303 31.089 1.00 0.00 PROA C ATOM 487 HA ALA 32 30.436 34.586 31.970 1.00 0.00 PROA H ATOM 488 CB ALA 32 30.583 32.848 31.534 1.00 0.00 PROA C ATOM 489 HB1 ALA 32 31.057 32.101 30.869 1.00 0.00 PROA H ATOM 490 HB2 ALA 32 29.481 32.728 31.498 1.00 0.00 PROA H ATOM 491 HB3 ALA 32 30.918 32.650 32.572 1.00 0.00 PROA H ATOM 492 C ALA 32 30.271 33.618 29.015 1.00 0.00 PROA C ATOM 493 O ALA 32 31.034 32.617 28.350 1.00 0.00 PROA O ATOM 494 N LYS 33 29.259 34.077 28.587 1.00 0.00 PROA N ATOM 495 HN LYS 33 28.719 34.829 28.964 1.00 0.00 PROA H ATOM 496 CA LYS 33 28.850 33.366 27.376 1.00 0.00 PROA C ATOM 497 HA LYS 33 28.743 32.292 27.463 1.00 0.00 PROA H ATOM 498 CB LYS 33 27.572 34.136 27.048 1.00 0.00 PROA C ATOM 499 HB1 LYS 33 27.617 35.214 27.264 1.00 0.00 PROA H ATOM 500 HB2 LYS 33 26.700 33.727 27.592 1.00 0.00 PROA H ATOM 501 CG LYS 33 27.387 33.958 25.468 1.00 0.00 PROA C ATOM 502 HG1 LYS 33 28.168 34.133 24.704 1.00 0.00 PROA H ATOM 503 HG2 LYS 33 26.827 34.930 25.293 1.00 0.00 PROA H ATOM 504 CD LYS 33 26.517 33.029 24.919 1.00 0.00 PROA C ATOM 505 HD1 LYS 33 25.484 33.204 25.331 1.00 0.00 PROA H ATOM 506 HD2 LYS 33 26.827 32.038 25.368 1.00 0.00 PROA H ATOM 507 CE LYS 33 26.419 32.791 23.500 1.00 0.00 PROA C ATOM 508 HE1 LYS 33 27.506 32.722 23.173 1.00 0.00 PROA H ATOM 509 HE2 LYS 33 26.091 33.797 23.084 1.00 0.00 PROA H ATOM 510 NZ LYS 33 25.805 31.902 22.816 1.00 0.00 PROA N ATOM 511 HZ1 LYS 33 24.767 31.928 22.932 1.00 0.00 PROA H ATOM 512 HZ2 LYS 33 26.132 30.936 23.066 1.00 0.00 PROA H ATOM 513 HZ3 LYS 33 26.000 32.015 21.793 1.00 0.00 PROA H ATOM 514 C LYS 33 29.820 33.746 26.264 1.00 0.00 PROA C ATOM 515 O LYS 33 30.423 33.333 25.339 1.00 0.00 PROA O ATOM 516 N PHE 34 29.801 35.320 25.959 1.00 0.00 PROA N ATOM 517 HN PHE 34 29.220 35.905 26.522 1.00 0.00 PROA H ATOM 518 CA PHE 34 30.532 35.901 25.232 1.00 0.00 PROA C ATOM 519 HA PHE 34 30.461 35.445 24.257 1.00 0.00 PROA H ATOM 520 CB PHE 34 29.980 37.340 25.270 1.00 0.00 PROA C ATOM 521 HB1 PHE 34 30.672 38.054 24.778 1.00 0.00 PROA H ATOM 522 HB2 PHE 34 29.748 37.694 26.298 1.00 0.00 PROA H ATOM 523 CG PHE 34 28.720 37.276 24.427 1.00 0.00 PROA C ATOM 524 CD1 PHE 34 27.469 38.152 24.792 1.00 0.00 PROA C ATOM 525 HD1 PHE 34 27.555 38.612 25.768 1.00 0.00 PROA H ATOM 526 CE1 PHE 34 26.288 38.264 24.168 1.00 0.00 PROA C ATOM 527 HE1 PHE 34 25.411 38.780 24.500 1.00 0.00 PROA H ATOM 528 CZ PHE 34 26.434 37.546 22.813 1.00 0.00 PROA C ATOM 529 HZ PHE 34 25.537 37.582 22.216 1.00 0.00 PROA H ATOM 530 CD2 PHE 34 28.874 36.817 22.973 1.00 0.00 PROA C ATOM 531 HD2 PHE 34 29.760 36.379 22.577 1.00 0.00 PROA H ATOM 532 CE2 PHE 34 27.579 36.902 22.173 1.00 0.00 PROA C ATOM 533 HE2 PHE 34 27.526 36.502 21.181 1.00 0.00 PROA H ATOM 534 C PHE 34 31.961 35.765 25.549 1.00 0.00 PROA C ATOM 535 O PHE 34 32.666 35.814 24.586 1.00 0.00 PROA O ATOM 536 N GLU 35 32.321 35.659 26.782 1.00 0.00 PROA N ATOM 537 HN GLU 35 31.719 35.803 27.568 1.00 0.00 PROA H ATOM 538 CA GLU 35 33.938 35.366 27.093 1.00 0.00 PROA C ATOM 539 HA GLU 35 34.497 35.962 26.382 1.00 0.00 PROA H ATOM 540 CB GLU 35 34.350 35.664 28.168 1.00 0.00 PROA C ATOM 541 HB1 GLU 35 33.802 34.961 28.904 1.00 0.00 PROA H ATOM 542 HB2 GLU 35 33.617 36.573 28.189 1.00 0.00 PROA H ATOM 543 CG GLU 35 35.072 36.320 29.127 1.00 0.00 PROA C ATOM 544 HG1 GLU 35 35.778 35.617 29.642 1.00 0.00 PROA H ATOM 545 HG2 GLU 35 34.471 36.778 29.961 1.00 0.00 PROA H ATOM 546 CD GLU 35 35.842 37.311 28.485 1.00 0.00 PROA C ATOM 547 OE1 GLU 35 36.220 37.206 27.610 1.00 0.00 PROA O ATOM 548 OE2 GLU 35 35.575 38.596 28.852 1.00 0.00 PROA O ATOM 549 C GLU 35 34.418 33.895 26.828 1.00 0.00 PROA C ATOM 550 O GLU 35 35.511 33.723 26.111 1.00 0.00 PROA O ATOM 551 N SER 36 33.770 32.976 27.138 1.00 0.00 PROA N ATOM 552 HN SER 36 32.898 33.211 27.565 1.00 0.00 PROA H ATOM 553 CA SER 36 34.006 31.675 27.172 1.00 0.00 PROA C ATOM 554 HA SER 36 34.958 31.576 26.661 1.00 0.00 PROA H ATOM 555 CB SER 36 34.343 31.069 28.255 1.00 0.00 PROA C ATOM 556 HB1 SER 36 34.916 31.739 28.951 1.00 0.00 PROA H ATOM 557 HB2 SER 36 35.020 30.181 28.103 1.00 0.00 PROA H ATOM 558 OG SER 36 33.074 30.520 28.969 1.00 0.00 PROA O ATOM 559 HG1 SER 36 32.684 31.297 29.400 1.00 0.00 PROA H ATOM 560 C SER 36 33.162 30.616 26.230 1.00 0.00 PROA C ATOM 561 O SER 36 33.474 29.358 25.898 1.00 0.00 PROA O ATOM 562 N ASN 37 32.026 31.087 25.956 1.00 0.00 PROA N ATOM 563 HN ASN 37 31.735 32.017 26.180 1.00 0.00 PROA H ATOM 564 CA ASN 37 31.108 30.213 25.195 1.00 0.00 PROA C ATOM 565 HA ASN 37 30.241 30.857 25.250 1.00 0.00 PROA H ATOM 566 CB ASN 37 31.237 30.113 23.948 1.00 0.00 PROA C ATOM 567 HB1 ASN 37 31.846 29.187 23.734 1.00 0.00 PROA H ATOM 568 HB2 ASN 37 31.927 30.949 23.618 1.00 0.00 PROA H ATOM 569 CG ASN 37 30.129 30.238 22.872 1.00 0.00 PROA C ATOM 570 OD1 ASN 37 29.288 30.846 22.911 1.00 0.00 PROA O ATOM 571 ND2 ASN 37 30.357 29.613 21.914 1.00 0.00 PROA N ATOM 572 HD21 ASN 37 29.615 29.468 21.271 1.00 0.00 PROA H ATOM 573 HD22 ASN 37 31.191 29.071 21.847 1.00 0.00 PROA H ATOM 574 C ASN 37 30.463 28.899 26.047 1.00 0.00 PROA C ATOM 575 O ASN 37 29.649 28.404 25.426 1.00 0.00 PROA O ATOM 576 N PHE 38 30.465 28.935 27.404 1.00 0.00 PROA N ATOM 577 HN PHE 38 31.003 29.645 27.862 1.00 0.00 PROA H ATOM 578 CA PHE 38 29.938 27.992 28.153 1.00 0.00 PROA C ATOM 579 HA PHE 38 29.997 28.467 29.110 1.00 0.00 PROA H ATOM 580 CB PHE 38 28.111 27.745 27.968 1.00 0.00 PROA C ATOM 581 HB1 PHE 38 28.083 27.294 28.976 1.00 0.00 PROA H ATOM 582 HB2 PHE 38 27.983 27.150 27.047 1.00 0.00 PROA H ATOM 583 CG PHE 38 27.334 28.850 28.105 1.00 0.00 PROA C ATOM 584 CD1 PHE 38 27.910 29.973 28.656 1.00 0.00 PROA C ATOM 585 HD1 PHE 38 28.840 30.064 29.160 1.00 0.00 PROA H ATOM 586 CE1 PHE 38 26.820 31.246 28.952 1.00 0.00 PROA C ATOM 587 HE1 PHE 38 27.122 32.118 29.486 1.00 0.00 PROA H ATOM 588 CZ PHE 38 25.690 31.004 28.312 1.00 0.00 PROA C ATOM 589 HZ PHE 38 25.041 31.883 28.479 1.00 0.00 PROA H ATOM 590 CD2 PHE 38 26.191 28.927 27.345 1.00 0.00 PROA C ATOM 591 HD2 PHE 38 25.825 28.103 26.766 1.00 0.00 PROA H ATOM 592 CE2 PHE 38 25.102 30.201 27.642 1.00 0.00 PROA C ATOM 593 HE2 PHE 38 24.156 30.240 27.143 1.00 0.00 PROA H ATOM 594 C PHE 38 30.557 26.851 28.485 1.00 0.00 PROA C ATOM 595 O PHE 38 30.384 26.179 29.246 1.00 0.00 PROA O ATOM 596 N ASN 39 31.685 27.171 27.675 1.00 0.00 PROA N ATOM 597 HN ASN 39 31.757 27.955 27.071 1.00 0.00 PROA H ATOM 598 CA ASN 39 32.911 26.310 27.797 1.00 0.00 PROA C ATOM 599 HA ASN 39 32.607 25.326 28.111 1.00 0.00 PROA H ATOM 600 CB ASN 39 33.827 26.155 26.256 1.00 0.00 PROA C ATOM 601 HB1 ASN 39 34.388 27.093 26.081 1.00 0.00 PROA H ATOM 602 HB2 ASN 39 32.965 26.172 25.542 1.00 0.00 PROA H ATOM 603 CG ASN 39 34.558 25.023 26.085 1.00 0.00 PROA C ATOM 604 OD1 ASN 39 34.902 24.035 27.116 1.00 0.00 PROA O ATOM 605 ND2 ASN 39 34.990 24.792 25.007 1.00 0.00 PROA N ATOM 606 HD21 ASN 39 35.370 23.874 24.872 1.00 0.00 PROA H ATOM 607 HD22 ASN 39 35.135 25.494 24.308 1.00 0.00 PROA H ATOM 608 C ASN 39 34.139 26.786 28.584 1.00 0.00 PROA C ATOM 609 O ASN 39 34.921 27.672 28.471 1.00 0.00 PROA O ATOM 610 N THR 40 33.972 25.947 29.702 1.00 0.00 PROA N ATOM 611 HN THR 40 33.229 25.283 29.735 1.00 0.00 PROA H ATOM 612 CA THR 40 35.048 26.003 30.908 1.00 0.00 PROA C ATOM 613 HA THR 40 35.091 27.000 31.308 1.00 0.00 PROA H ATOM 614 CB THR 40 34.681 24.999 31.960 1.00 0.00 PROA C ATOM 615 HB THR 40 35.572 24.878 32.649 1.00 0.00 PROA H ATOM 616 OG1 THR 40 34.442 23.679 31.358 1.00 0.00 PROA O ATOM 617 HG1 THR 40 33.715 23.839 30.734 1.00 0.00 PROA H ATOM 618 CG2 THR 40 33.632 25.200 32.711 1.00 0.00 PROA C ATOM 619 HG21 THR 40 32.678 25.266 32.132 1.00 0.00 PROA H ATOM 620 HG22 THR 40 33.712 26.157 33.287 1.00 0.00 PROA H ATOM 621 HG23 THR 40 33.499 24.402 33.490 1.00 0.00 PROA H ATOM 622 C THR 40 36.805 25.474 30.416 1.00 0.00 PROA C ATOM 623 O THR 40 37.399 25.780 31.127 1.00 0.00 PROA O ATOM 624 N GLN 41 36.762 25.014 29.565 1.00 0.00 PROA N ATOM 625 HN GLN 41 35.916 24.842 29.068 1.00 0.00 PROA H ATOM 626 CA GLN 41 38.358 24.431 28.863 1.00 0.00 PROA C ATOM 627 HA GLN 41 39.021 23.975 29.515 1.00 0.00 PROA H ATOM 628 CB GLN 41 38.137 23.135 28.103 1.00 0.00 PROA C ATOM 629 HB1 GLN 41 38.976 22.985 27.360 1.00 0.00 PROA H ATOM 630 HB2 GLN 41 37.230 23.253 27.461 1.00 0.00 PROA H ATOM 631 CG GLN 41 38.050 21.813 28.811 1.00 0.00 PROA C ATOM 632 HG1 GLN 41 37.040 21.728 29.273 1.00 0.00 PROA H ATOM 633 HG2 GLN 41 38.770 21.800 29.666 1.00 0.00 PROA H ATOM 634 CD GLN 41 38.261 20.635 27.968 1.00 0.00 PROA C ATOM 635 OE1 GLN 41 37.493 20.167 27.382 1.00 0.00 PROA O ATOM 636 NE2 GLN 41 39.474 20.208 27.876 1.00 0.00 PROA N ATOM 637 HE21 GLN 41 39.628 19.476 27.218 1.00 0.00 PROA H ATOM 638 HE22 GLN 41 40.213 20.720 28.294 1.00 0.00 PROA H ATOM 639 C GLN 41 38.992 25.224 28.211 1.00 0.00 PROA C ATOM 640 O GLN 41 40.082 25.796 27.945 1.00 0.00 PROA O ATOM 641 N ALA 42 38.121 26.338 27.422 1.00 0.00 PROA N ATOM 642 HN ALA 42 37.143 26.360 27.593 1.00 0.00 PROA H ATOM 643 CA ALA 42 38.528 27.224 26.412 1.00 0.00 PROA C ATOM 644 HA ALA 42 38.856 26.684 25.533 1.00 0.00 PROA H ATOM 645 CB ALA 42 37.325 28.140 26.218 1.00 0.00 PROA C ATOM 646 HB1 ALA 42 36.974 28.549 27.191 1.00 0.00 PROA H ATOM 647 HB2 ALA 42 36.492 27.584 25.742 1.00 0.00 PROA H ATOM 648 HB3 ALA 42 37.603 28.992 25.565 1.00 0.00 PROA H ATOM 649 C ALA 42 39.743 28.019 27.079 1.00 0.00 PROA C ATOM 650 O ALA 42 39.997 28.063 28.215 1.00 0.00 PROA O ATOM 651 N THR 43 40.863 28.162 26.191 1.00 0.00 PROA N ATOM 652 HN THR 43 40.881 27.794 25.266 1.00 0.00 PROA H ATOM 653 CA THR 43 42.070 28.893 26.686 1.00 0.00 PROA C ATOM 654 HA THR 43 41.962 29.352 27.656 1.00 0.00 PROA H ATOM 655 CB THR 43 42.954 27.753 26.553 1.00 0.00 PROA C ATOM 656 HB THR 43 43.967 28.115 26.863 1.00 0.00 PROA H ATOM 657 OG1 THR 43 43.139 27.113 24.968 1.00 0.00 PROA O ATOM 658 HG1 THR 43 43.016 27.859 24.369 1.00 0.00 PROA H ATOM 659 CG2 THR 43 42.699 26.446 27.465 1.00 0.00 PROA C ATOM 660 HG21 THR 43 42.059 25.748 26.896 1.00 0.00 PROA H ATOM 661 HG22 THR 43 42.249 26.733 28.433 1.00 0.00 PROA H ATOM 662 HG23 THR 43 43.670 25.944 27.644 1.00 0.00 PROA H ATOM 663 C THR 43 42.283 29.988 25.417 1.00 0.00 PROA C ATOM 664 O THR 43 42.057 29.832 24.566 1.00 0.00 PROA O ATOM 665 N ASN 44 43.090 31.178 25.725 1.00 0.00 PROA N ATOM 666 HN ASN 44 43.361 31.293 26.684 1.00 0.00 PROA H ATOM 667 CA ASN 44 43.127 32.212 25.081 1.00 0.00 PROA C ATOM 668 HA ASN 44 43.432 31.782 24.133 1.00 0.00 PROA H ATOM 669 CB ASN 44 42.136 33.370 24.533 1.00 0.00 PROA C ATOM 670 HB1 ASN 44 42.644 34.153 23.944 1.00 0.00 PROA H ATOM 671 HB2 ASN 44 41.547 33.811 25.353 1.00 0.00 PROA H ATOM 672 CG ASN 44 41.277 32.516 23.563 1.00 0.00 PROA C ATOM 673 OD1 ASN 44 41.228 32.554 22.671 1.00 0.00 PROA O ATOM 674 ND2 ASN 44 39.907 32.264 24.172 1.00 0.00 PROA N ATOM 675 HD21 ASN 44 39.793 32.491 25.139 1.00 0.00 PROA H ATOM 676 HD22 ASN 44 39.155 32.245 23.529 1.00 0.00 PROA H ATOM 677 C ASN 44 44.521 32.983 25.301 1.00 0.00 PROA C ATOM 678 O ASN 44 44.552 33.349 25.893 1.00 0.00 PROA O ATOM 679 N ARG 45 45.522 33.068 24.151 1.00 0.00 PROA N ATOM 680 HN ARG 45 45.376 32.723 23.233 1.00 0.00 PROA H ATOM 681 CA ARG 45 46.590 33.686 24.458 1.00 0.00 PROA C ATOM 682 HA ARG 45 46.843 33.763 25.505 1.00 0.00 PROA H ATOM 683 CB ARG 45 47.870 32.910 23.514 1.00 0.00 PROA C ATOM 684 HB1 ARG 45 47.643 33.019 22.439 1.00 0.00 PROA H ATOM 685 HB2 ARG 45 47.672 31.847 23.775 1.00 0.00 PROA H ATOM 686 CG ARG 45 49.334 33.153 23.830 1.00 0.00 PROA C ATOM 687 HG1 ARG 45 49.315 33.477 24.904 1.00 0.00 PROA H ATOM 688 HG2 ARG 45 49.689 34.049 23.273 1.00 0.00 PROA H ATOM 689 CD ARG 45 50.460 32.059 23.805 1.00 0.00 PROA C ATOM 690 HD1 ARG 45 50.713 32.021 22.712 1.00 0.00 PROA H ATOM 691 HD2 ARG 45 49.884 31.129 24.057 1.00 0.00 PROA H ATOM 692 NE ARG 45 51.583 32.041 24.544 1.00 0.00 PROA N ATOM 693 HE ARG 45 51.683 32.745 25.249 1.00 0.00 PROA H ATOM 694 CZ ARG 45 52.415 31.256 24.428 1.00 0.00 PROA C ATOM 695 NH1 ARG 45 52.321 30.178 23.329 1.00 0.00 PROA N ATOM 696 HH11 ARG 45 53.153 29.730 23.015 1.00 0.00 PROA H ATOM 697 HH12 ARG 45 51.450 29.950 22.885 1.00 0.00 PROA H ATOM 698 NH2 ARG 45 53.708 31.369 24.956 1.00 0.00 PROA N ATOM 699 HH21 ARG 45 53.916 32.140 25.548 1.00 0.00 PROA H ATOM 700 HH22 ARG 45 54.355 30.619 24.846 1.00 0.00 PROA H ATOM 701 C ARG 45 46.658 35.067 23.729 1.00 0.00 PROA C ATOM 702 O ARG 45 46.306 35.236 22.668 1.00 0.00 PROA O ATOM 703 N ASN 46 47.153 36.115 24.559 1.00 0.00 PROA N ATOM 704 HN ASN 46 47.499 35.987 25.494 1.00 0.00 PROA H ATOM 705 CA ASN 46 46.965 37.457 23.966 1.00 0.00 PROA C ATOM 706 HA ASN 46 46.269 37.450 23.146 1.00 0.00 PROA H ATOM 707 CB ASN 46 46.036 38.046 25.294 1.00 0.00 PROA C ATOM 708 HB1 ASN 46 46.012 39.177 25.036 1.00 0.00 PROA H ATOM 709 HB2 ASN 46 46.933 38.094 26.014 1.00 0.00 PROA H ATOM 710 CG ASN 46 45.166 37.467 25.738 1.00 0.00 PROA C ATOM 711 OD1 ASN 46 45.381 37.102 26.789 1.00 0.00 PROA O ATOM 712 ND2 ASN 46 44.564 37.644 25.577 1.00 0.00 PROA N ATOM 713 HD21 ASN 46 43.939 37.384 26.316 1.00 0.00 PROA H ATOM 714 HD22 ASN 46 44.313 37.874 24.650 1.00 0.00 PROA H ATOM 715 C ASN 46 48.529 37.812 23.251 1.00 0.00 PROA C ATOM 716 O ASN 46 49.585 36.820 23.585 1.00 0.00 PROA O ATOM 717 N THR 47 49.334 38.754 23.066 1.00 0.00 PROA N ATOM 718 HN THR 47 49.024 39.702 23.123 1.00 0.00 PROA H ATOM 719 CA THR 47 50.804 38.711 22.560 1.00 0.00 PROA C ATOM 720 HA THR 47 50.933 37.856 21.913 1.00 0.00 PROA H ATOM 721 CB THR 47 50.782 40.038 21.763 1.00 0.00 PROA C ATOM 722 HB THR 47 51.292 40.878 22.279 1.00 0.00 PROA H ATOM 723 OG1 THR 47 49.664 40.220 21.694 1.00 0.00 PROA O ATOM 724 HG1 THR 47 49.314 39.425 21.275 1.00 0.00 PROA H ATOM 725 CG2 THR 47 51.416 39.642 20.437 1.00 0.00 PROA C ATOM 726 HG21 THR 47 50.916 38.760 19.979 1.00 0.00 PROA H ATOM 727 HG22 THR 47 52.489 39.391 20.589 1.00 0.00 PROA H ATOM 728 HG23 THR 47 51.344 40.486 19.717 1.00 0.00 PROA H ATOM 729 C THR 47 52.049 38.668 23.740 1.00 0.00 PROA C ATOM 730 O THR 47 52.971 38.365 23.234 1.00 0.00 PROA O ATOM 731 N ASP 48 51.412 39.148 24.887 1.00 0.00 PROA N ATOM 732 HN ASP 48 50.447 39.243 25.131 1.00 0.00 PROA H ATOM 733 CA ASP 48 52.681 39.192 26.080 1.00 0.00 PROA C ATOM 734 HA ASP 48 53.621 39.513 25.654 1.00 0.00 PROA H ATOM 735 CB ASP 48 51.933 40.433 26.995 1.00 0.00 PROA C ATOM 736 HB1 ASP 48 51.594 41.190 26.248 1.00 0.00 PROA H ATOM 737 HB2 ASP 48 52.782 40.898 27.561 1.00 0.00 PROA H ATOM 738 CG ASP 48 51.015 40.010 27.727 1.00 0.00 PROA C ATOM 739 OD1 ASP 48 50.208 39.463 27.371 1.00 0.00 PROA O ATOM 740 OD2 ASP 48 51.133 40.303 29.075 1.00 0.00 PROA O ATOM 741 C ASP 48 52.885 38.090 26.923 1.00 0.00 PROA C ATOM 742 O ASP 48 53.255 38.391 28.049 1.00 0.00 PROA O ATOM 743 N GLY 49 52.720 36.801 26.547 1.00 0.00 PROA N ATOM 744 HN GLY 49 52.290 36.678 25.657 1.00 0.00 PROA H ATOM 745 CA GLY 49 53.043 35.427 27.336 1.00 0.00 PROA C ATOM 746 HA1 GLY 49 53.628 35.612 28.225 1.00 0.00 PROA H ATOM 747 HA2 GLY 49 53.371 34.662 26.653 1.00 0.00 PROA H ATOM 748 C GLY 49 51.472 35.238 27.694 1.00 0.00 PROA C ATOM 749 O GLY 49 50.956 34.466 27.251 1.00 0.00 PROA O ATOM 750 N SER 50 51.150 35.777 28.498 1.00 0.00 PROA N ATOM 751 HN SER 50 51.764 36.473 28.853 1.00 0.00 PROA H ATOM 752 CA SER 50 49.852 35.868 28.969 1.00 0.00 PROA C ATOM 753 HA SER 50 50.024 35.404 29.934 1.00 0.00 PROA H ATOM 754 CB SER 50 49.240 37.058 29.402 1.00 0.00 PROA C ATOM 755 HB1 SER 50 49.756 37.951 28.998 1.00 0.00 PROA H ATOM 756 HB2 SER 50 49.280 37.178 30.515 1.00 0.00 PROA H ATOM 757 OG SER 50 47.978 37.096 29.059 1.00 0.00 PROA O ATOM 758 HG1 SER 50 47.943 37.119 28.091 1.00 0.00 PROA H ATOM 759 C SER 50 48.525 34.848 28.398 1.00 0.00 PROA C ATOM 760 O SER 50 48.617 35.095 26.924 1.00 0.00 PROA O ATOM 761 N THR 51 48.303 34.430 28.676 1.00 0.00 PROA N ATOM 762 HN THR 51 48.657 34.278 29.594 1.00 0.00 PROA H ATOM 763 CA THR 51 46.972 33.595 28.426 1.00 0.00 PROA C ATOM 764 HA THR 51 46.527 33.828 27.466 1.00 0.00 PROA H ATOM 765 CB THR 51 47.712 31.997 28.382 1.00 0.00 PROA C ATOM 766 HB THR 51 48.246 31.882 29.353 1.00 0.00 PROA H ATOM 767 OG1 THR 51 48.514 31.718 27.437 1.00 0.00 PROA O ATOM 768 HG1 THR 51 49.030 32.533 27.335 1.00 0.00 PROA H ATOM 769 CG2 THR 51 46.541 31.217 28.342 1.00 0.00 PROA C ATOM 770 HG21 THR 51 45.898 31.466 27.466 1.00 0.00 PROA H ATOM 771 HG22 THR 51 45.915 31.188 29.247 1.00 0.00 PROA H ATOM 772 HG23 THR 51 46.811 30.140 28.201 1.00 0.00 PROA H ATOM 773 C THR 51 45.902 33.626 29.341 1.00 0.00 PROA C ATOM 774 O THR 51 45.898 33.829 30.342 1.00 0.00 PROA O ATOM 775 N ASP 52 44.627 33.225 29.019 1.00 0.00 PROA N ATOM 776 HN ASP 52 44.575 32.832 28.110 1.00 0.00 PROA H ATOM 777 CA ASP 52 43.330 33.430 29.399 1.00 0.00 PROA C ATOM 778 HA ASP 52 43.302 33.798 30.416 1.00 0.00 PROA H ATOM 779 CB ASP 52 42.488 34.331 28.395 1.00 0.00 PROA C ATOM 780 HB1 ASP 52 41.434 34.206 28.726 1.00 0.00 PROA H ATOM 781 HB2 ASP 52 42.605 34.034 27.335 1.00 0.00 PROA H ATOM 782 CG ASP 52 42.690 35.585 28.634 1.00 0.00 PROA C ATOM 783 OD1 ASP 52 43.550 36.108 29.289 1.00 0.00 PROA O ATOM 784 OD2 ASP 52 42.123 36.570 28.015 1.00 0.00 PROA O ATOM 785 C ASP 52 42.611 32.066 29.347 1.00 0.00 PROA C ATOM 786 O ASP 52 42.843 31.473 28.475 1.00 0.00 PROA O ATOM 787 N TYR 53 42.318 31.322 30.439 1.00 0.00 PROA N ATOM 788 HN TYR 53 42.551 31.835 31.266 1.00 0.00 PROA H ATOM 789 CA TYR 53 41.685 30.199 30.777 1.00 0.00 PROA C ATOM 790 HA TYR 53 41.777 29.546 29.919 1.00 0.00 PROA H ATOM 791 CB TYR 53 42.541 29.620 31.852 1.00 0.00 PROA C ATOM 792 HB1 TYR 53 42.191 28.609 32.164 1.00 0.00 PROA H ATOM 793 HB2 TYR 53 42.465 30.247 32.777 1.00 0.00 PROA H ATOM 794 CG TYR 53 44.035 29.434 31.546 1.00 0.00 PROA C ATOM 795 CD1 TYR 53 44.579 28.244 30.972 1.00 0.00 PROA C ATOM 796 HD1 TYR 53 43.911 27.423 30.745 1.00 0.00 PROA H ATOM 797 CE1 TYR 53 45.864 28.160 30.743 1.00 0.00 PROA C ATOM 798 HE1 TYR 53 46.292 27.279 30.273 1.00 0.00 PROA H ATOM 799 CZ TYR 53 46.641 29.233 30.951 1.00 0.00 PROA C ATOM 800 OH TYR 53 48.092 29.248 30.425 1.00 0.00 PROA O ATOM 801 HH TYR 53 48.584 29.961 30.872 1.00 0.00 PROA H ATOM 802 CD2 TYR 53 44.812 30.391 31.847 1.00 0.00 PROA C ATOM 803 HD2 TYR 53 44.374 31.286 32.299 1.00 0.00 PROA H ATOM 804 CE2 TYR 53 46.122 30.509 31.539 1.00 0.00 PROA C ATOM 805 HE2 TYR 53 46.736 31.376 31.697 1.00 0.00 PROA H ATOM 806 C TYR 53 40.420 30.108 31.119 1.00 0.00 PROA C ATOM 807 O TYR 53 39.924 30.816 32.363 1.00 0.00 PROA O ATOM 808 N GLY 54 39.351 29.261 30.999 1.00 0.00 PROA N ATOM 809 HN GLY 54 39.465 28.676 30.190 1.00 0.00 PROA H ATOM 810 CA GLY 54 38.152 28.826 31.760 1.00 0.00 PROA C ATOM 811 HA1 GLY 54 38.321 28.939 32.822 1.00 0.00 PROA H ATOM 812 HA2 GLY 54 37.896 27.859 31.426 1.00 0.00 PROA H ATOM 813 C GLY 54 37.135 29.783 31.290 1.00 0.00 PROA C ATOM 814 O GLY 54 37.169 30.786 30.561 1.00 0.00 PROA O ATOM 815 N ILE 55 35.995 29.369 31.842 1.00 0.00 PROA N ATOM 816 HN ILE 55 36.001 28.580 32.450 1.00 0.00 PROA H ATOM 817 CA ILE 55 34.371 30.159 31.489 1.00 0.00 PROA C ATOM 818 HA ILE 55 34.299 29.813 30.503 1.00 0.00 PROA H ATOM 819 CB ILE 55 33.585 29.475 32.604 1.00 0.00 PROA C ATOM 820 HB ILE 55 33.837 28.412 32.708 1.00 0.00 PROA H ATOM 821 CG2 ILE 55 33.704 30.214 34.172 1.00 0.00 PROA C ATOM 822 HG21 ILE 55 33.244 31.214 34.111 1.00 0.00 PROA H ATOM 823 HG22 ILE 55 34.765 30.262 34.468 1.00 0.00 PROA H ATOM 824 HG23 ILE 55 33.140 29.586 34.884 1.00 0.00 PROA H ATOM 825 CG1 ILE 55 31.962 29.623 32.299 1.00 0.00 PROA C ATOM 826 HG11 ILE 55 31.794 30.657 31.992 1.00 0.00 PROA H ATOM 827 HG12 ILE 55 31.408 29.416 33.238 1.00 0.00 PROA H ATOM 828 CD ILE 55 31.612 28.620 31.243 1.00 0.00 PROA C ATOM 829 HD1 ILE 55 31.830 27.588 31.597 1.00 0.00 PROA H ATOM 830 HD2 ILE 55 32.175 28.770 30.302 1.00 0.00 PROA H ATOM 831 HD3 ILE 55 30.524 28.671 31.031 1.00 0.00 PROA H ATOM 832 C ILE 55 34.894 31.306 31.740 1.00 0.00 PROA C ATOM 833 O ILE 55 34.027 32.337 31.130 1.00 0.00 PROA O ATOM 834 N LEU 56 35.778 31.915 32.409 1.00 0.00 PROA N ATOM 835 HN LEU 56 36.536 31.442 32.844 1.00 0.00 PROA H ATOM 836 CA LEU 56 35.372 33.417 32.901 1.00 0.00 PROA C ATOM 837 HA LEU 56 34.664 33.943 32.287 1.00 0.00 PROA H ATOM 838 CB LEU 56 35.140 33.585 34.229 1.00 0.00 PROA C ATOM 839 HB1 LEU 56 36.090 33.604 34.857 1.00 0.00 PROA H ATOM 840 HB2 LEU 56 34.785 32.550 34.526 1.00 0.00 PROA H ATOM 841 CG LEU 56 34.297 34.294 34.768 1.00 0.00 PROA C ATOM 842 HG LEU 56 34.675 35.343 34.896 1.00 0.00 PROA H ATOM 843 CD1 LEU 56 32.936 34.411 33.914 1.00 0.00 PROA C ATOM 844 HD11 LEU 56 32.695 33.411 33.503 1.00 0.00 PROA H ATOM 845 HD12 LEU 56 33.091 35.108 33.064 1.00 0.00 PROA H ATOM 846 HD13 LEU 56 32.059 34.754 34.485 1.00 0.00 PROA H ATOM 847 CD2 LEU 56 33.281 34.103 36.254 1.00 0.00 PROA C ATOM 848 HD21 LEU 56 33.973 33.906 37.084 1.00 0.00 PROA H ATOM 849 HD22 LEU 56 32.610 33.245 36.093 1.00 0.00 PROA H ATOM 850 HD23 LEU 56 32.725 35.038 36.420 1.00 0.00 PROA H ATOM 851 C LEU 56 36.665 34.269 32.609 1.00 0.00 PROA C ATOM 852 O LEU 56 36.641 35.270 32.767 1.00 0.00 PROA O ATOM 853 N GLN 57 37.453 33.666 31.592 1.00 0.00 PROA N ATOM 854 HN GLN 57 37.120 32.796 31.232 1.00 0.00 PROA H ATOM 855 CA GLN 57 38.787 34.069 31.028 1.00 0.00 PROA C ATOM 856 HA GLN 57 39.278 33.111 30.937 1.00 0.00 PROA H ATOM 857 CB GLN 57 38.553 34.277 29.548 1.00 0.00 PROA C ATOM 858 HB1 GLN 57 39.428 34.896 29.191 1.00 0.00 PROA H ATOM 859 HB2 GLN 57 37.835 35.144 29.654 1.00 0.00 PROA H ATOM 860 CG GLN 57 37.822 33.558 28.418 1.00 0.00 PROA C ATOM 861 HG1 GLN 57 37.575 34.253 27.580 1.00 0.00 PROA H ATOM 862 HG2 GLN 57 36.930 32.993 28.762 1.00 0.00 PROA H ATOM 863 CD GLN 57 38.955 32.840 28.199 1.00 0.00 PROA C ATOM 864 OE1 GLN 57 39.878 33.179 27.646 1.00 0.00 PROA O ATOM 865 NE2 GLN 57 39.025 31.439 28.532 1.00 0.00 PROA N ATOM 866 HE21 GLN 57 38.327 31.061 29.145 1.00 0.00 PROA H ATOM 867 HE22 GLN 57 39.871 30.972 28.299 1.00 0.00 PROA H ATOM 868 C GLN 57 39.723 34.654 31.995 1.00 0.00 PROA C ATOM 869 O GLN 57 40.212 35.633 31.383 1.00 0.00 PROA O ATOM 870 N ILE 58 39.973 34.025 33.094 1.00 0.00 PROA N ATOM 871 HN ILE 58 39.640 33.112 33.304 1.00 0.00 PROA H ATOM 872 CA ILE 58 40.968 34.631 33.853 1.00 0.00 PROA C ATOM 873 HA ILE 58 40.709 35.684 33.921 1.00 0.00 PROA H ATOM 874 CB ILE 58 40.803 34.238 35.192 1.00 0.00 PROA C ATOM 875 HB ILE 58 41.351 33.257 35.337 1.00 0.00 PROA H ATOM 876 CG2 ILE 58 41.584 35.244 36.258 1.00 0.00 PROA C ATOM 877 HG21 ILE 58 41.132 36.241 36.133 1.00 0.00 PROA H ATOM 878 HG22 ILE 58 42.611 35.227 35.870 1.00 0.00 PROA H ATOM 879 HG23 ILE 58 41.461 34.835 37.272 1.00 0.00 PROA H ATOM 880 CG1 ILE 58 39.484 33.941 35.422 1.00 0.00 PROA C ATOM 881 HG11 ILE 58 38.830 33.277 34.792 1.00 0.00 PROA H ATOM 882 HG12 ILE 58 38.920 34.909 35.510 1.00 0.00 PROA H ATOM 883 CD ILE 58 39.194 33.116 36.694 1.00 0.00 PROA C ATOM 884 HD1 ILE 58 39.872 33.405 37.517 1.00 0.00 PROA H ATOM 885 HD2 ILE 58 39.311 32.029 36.506 1.00 0.00 PROA H ATOM 886 HD3 ILE 58 38.149 33.288 37.033 1.00 0.00 PROA H ATOM 887 C ILE 58 42.184 34.662 33.390 1.00 0.00 PROA C ATOM 888 O ILE 58 42.577 33.479 32.778 1.00 0.00 PROA O ATOM 889 N ASN 59 43.137 36.010 33.380 1.00 0.00 PROA N ATOM 890 HN ASN 59 42.763 36.906 33.595 1.00 0.00 PROA H ATOM 891 CA ASN 59 44.435 35.919 32.907 1.00 0.00 PROA C ATOM 892 HA ASN 59 44.427 35.293 32.020 1.00 0.00 PROA H ATOM 893 CB ASN 59 44.732 37.355 32.529 1.00 0.00 PROA C ATOM 894 HB1 ASN 59 44.665 37.903 33.521 1.00 0.00 PROA H ATOM 895 HB2 ASN 59 43.771 37.718 32.032 1.00 0.00 PROA H ATOM 896 CG ASN 59 45.766 37.805 31.972 1.00 0.00 PROA C ATOM 897 OD1 ASN 59 46.752 38.232 32.652 1.00 0.00 PROA O ATOM 898 ND2 ASN 59 45.637 37.749 30.683 1.00 0.00 PROA N ATOM 899 HD21 ASN 59 44.839 37.282 30.262 1.00 0.00 PROA H ATOM 900 HD22 ASN 59 46.460 37.820 30.114 1.00 0.00 PROA H ATOM 901 C ASN 59 45.505 35.384 33.898 1.00 0.00 PROA C ATOM 902 O ASN 59 45.427 35.441 34.764 1.00 0.00 PROA O ATOM 903 N SER 60 46.487 35.101 33.185 1.00 0.00 PROA N ATOM 904 HN SER 60 46.482 35.043 32.185 1.00 0.00 PROA H ATOM 905 CA SER 60 47.878 34.573 34.095 1.00 0.00 PROA C ATOM 906 HA SER 60 47.567 34.216 35.065 1.00 0.00 PROA H ATOM 907 CB SER 60 48.564 33.726 33.525 1.00 0.00 PROA C ATOM 908 HB1 SER 60 47.797 32.920 33.310 1.00 0.00 PROA H ATOM 909 HB2 SER 60 49.295 33.035 34.066 1.00 0.00 PROA H ATOM 910 OG SER 60 49.024 33.926 32.184 1.00 0.00 PROA O ATOM 911 HG1 SER 60 49.603 33.168 31.977 1.00 0.00 PROA H ATOM 912 C SER 60 49.013 35.389 34.272 1.00 0.00 PROA C ATOM 913 O SER 60 49.759 34.929 35.164 1.00 0.00 PROA O ATOM 914 N ARG 61 48.853 36.734 33.870 1.00 0.00 PROA N ATOM 915 HN ARG 61 48.116 37.077 33.278 1.00 0.00 PROA H ATOM 916 CA ARG 61 49.747 37.636 34.525 1.00 0.00 PROA C ATOM 917 HA ARG 61 50.715 37.151 34.604 1.00 0.00 PROA H ATOM 918 CB ARG 61 49.942 38.591 33.507 1.00 0.00 PROA C ATOM 919 HB1 ARG 61 49.025 39.135 33.207 1.00 0.00 PROA H ATOM 920 HB2 ARG 61 50.441 38.188 32.605 1.00 0.00 PROA H ATOM 921 CG ARG 61 51.044 39.919 34.127 1.00 0.00 PROA C ATOM 922 HG1 ARG 61 51.870 39.330 34.579 1.00 0.00 PROA H ATOM 923 HG2 ARG 61 50.470 40.423 34.930 1.00 0.00 PROA H ATOM 924 CD ARG 61 51.498 40.831 33.151 1.00 0.00 PROA C ATOM 925 HD1 ARG 61 50.704 41.561 32.847 1.00 0.00 PROA H ATOM 926 HD2 ARG 61 51.765 40.208 32.253 1.00 0.00 PROA H ATOM 927 NE ARG 61 52.708 41.594 33.733 1.00 0.00 PROA N ATOM 928 HE ARG 61 52.722 41.877 34.684 1.00 0.00 PROA H ATOM 929 CZ ARG 61 53.520 42.053 32.996 1.00 0.00 PROA C ATOM 930 NH1 ARG 61 53.428 41.846 31.663 1.00 0.00 PROA N ATOM 931 HH11 ARG 61 54.065 42.308 31.053 1.00 0.00 PROA H ATOM 932 HH12 ARG 61 52.765 41.206 31.280 1.00 0.00 PROA H ATOM 933 NH2 ARG 61 54.244 43.136 33.499 1.00 0.00 PROA N ATOM 934 HH21 ARG 61 53.706 43.735 34.087 1.00 0.00 PROA H ATOM 935 HH22 ARG 61 54.788 43.636 32.832 1.00 0.00 PROA H ATOM 936 C ARG 61 49.458 38.012 35.876 1.00 0.00 PROA C ATOM 937 O ARG 61 50.265 38.444 36.326 1.00 0.00 PROA O ATOM 938 N TRP 62 48.161 37.905 36.620 1.00 0.00 PROA N ATOM 939 HN TRP 62 47.430 37.506 36.080 1.00 0.00 PROA H ATOM 940 CA TRP 62 47.808 38.313 37.916 1.00 0.00 PROA C ATOM 941 HA TRP 62 48.733 38.397 38.470 1.00 0.00 PROA H ATOM 942 CB TRP 62 47.063 39.879 37.874 1.00 0.00 PROA C ATOM 943 HB1 TRP 62 47.226 40.379 38.842 1.00 0.00 PROA H ATOM 944 HB2 TRP 62 45.976 39.677 37.791 1.00 0.00 PROA H ATOM 945 CG TRP 62 47.464 40.701 36.693 1.00 0.00 PROA C ATOM 946 CD1 TRP 62 47.038 40.724 35.498 1.00 0.00 PROA C ATOM 947 HD1 TRP 62 46.303 40.025 35.122 1.00 0.00 PROA H ATOM 948 NE1 TRP 62 47.667 41.798 34.396 1.00 0.00 PROA N ATOM 949 HE1 TRP 62 47.543 41.872 33.430 1.00 0.00 PROA H ATOM 950 CE2 TRP 62 48.455 42.537 35.317 1.00 0.00 PROA C ATOM 951 CD2 TRP 62 48.498 41.813 36.765 1.00 0.00 PROA C ATOM 952 CE3 TRP 62 49.072 42.013 37.821 1.00 0.00 PROA C ATOM 953 HE3 TRP 62 49.032 41.474 38.757 1.00 0.00 PROA H ATOM 954 CZ3 TRP 62 49.884 43.147 37.612 1.00 0.00 PROA C ATOM 955 HZ3 TRP 62 50.471 43.503 38.450 1.00 0.00 PROA H ATOM 956 CZ2 TRP 62 49.219 43.498 35.329 1.00 0.00 PROA C ATOM 957 HZ2 TRP 62 49.359 44.091 34.427 1.00 0.00 PROA H ATOM 958 CH2 TRP 62 49.921 43.878 36.434 1.00 0.00 PROA C ATOM 959 HH2 TRP 62 50.565 44.751 36.377 1.00 0.00 PROA H ATOM 960 C TRP 62 47.079 37.318 38.506 1.00 0.00 PROA C ATOM 961 O TRP 62 47.169 37.162 39.440 1.00 0.00 PROA O ATOM 962 N TRP 63 46.132 36.543 38.054 1.00 0.00 PROA N ATOM 963 HN TRP 63 45.896 36.623 37.092 1.00 0.00 PROA H ATOM 964 CA TRP 63 45.260 35.619 38.777 1.00 0.00 PROA C ATOM 965 HA TRP 63 45.193 35.979 39.791 1.00 0.00 PROA H ATOM 966 CB TRP 63 43.621 35.641 38.130 1.00 0.00 PROA C ATOM 967 HB1 TRP 63 42.979 35.106 38.830 1.00 0.00 PROA H ATOM 968 HB2 TRP 63 43.873 35.109 37.200 1.00 0.00 PROA H ATOM 969 CG TRP 63 43.285 37.239 37.991 1.00 0.00 PROA C ATOM 970 CD1 TRP 63 43.146 37.648 36.574 1.00 0.00 PROA C ATOM 971 HD1 TRP 63 43.370 37.157 35.661 1.00 0.00 PROA H ATOM 972 NE1 TRP 63 42.991 39.044 36.937 1.00 0.00 PROA N ATOM 973 HE1 TRP 63 43.083 39.797 36.315 1.00 0.00 PROA H ATOM 974 CE2 TRP 63 43.022 39.313 38.302 1.00 0.00 PROA C ATOM 975 CD2 TRP 63 43.370 38.026 39.104 1.00 0.00 PROA C ATOM 976 CE3 TRP 63 43.671 38.014 40.453 1.00 0.00 PROA C ATOM 977 HE3 TRP 63 43.887 37.127 41.013 1.00 0.00 PROA H ATOM 978 CZ3 TRP 63 43.547 39.331 41.187 1.00 0.00 PROA C ATOM 979 HZ3 TRP 63 43.713 39.364 42.256 1.00 0.00 PROA H ATOM 980 CZ2 TRP 63 43.173 40.495 39.013 1.00 0.00 PROA C ATOM 981 HZ2 TRP 63 43.113 41.474 38.584 1.00 0.00 PROA H ATOM 982 CH2 TRP 63 43.345 40.350 40.522 1.00 0.00 PROA C ATOM 983 HH2 TRP 63 43.622 41.289 40.986 1.00 0.00 PROA H ATOM 984 C TRP 63 45.708 34.132 38.913 1.00 0.00 PROA C ATOM 985 O TRP 63 45.339 33.771 39.915 1.00 0.00 PROA O ATOM 986 N CYS 64 46.259 33.317 38.146 1.00 0.00 PROA N ATOM 987 HN CYS 64 46.516 33.653 37.241 1.00 0.00 PROA H ATOM 988 CA CYS 64 46.636 32.243 38.277 1.00 0.00 PROA C ATOM 989 HA CYS 64 46.739 31.895 39.294 1.00 0.00 PROA H ATOM 990 CB CYS 64 45.714 31.338 37.430 1.00 0.00 PROA C ATOM 991 HB1 CYS 64 44.788 31.291 38.052 1.00 0.00 PROA H ATOM 992 HB2 CYS 64 46.092 30.300 37.503 1.00 0.00 PROA H ATOM 993 SG CYS 64 45.273 31.566 36.207 1.00 0.00 PROA S ATOM 994 HG1 CYS 64 44.548 32.635 36.509 1.00 0.00 PROA H ATOM 995 C CYS 64 48.082 31.897 37.350 1.00 0.00 PROA C ATOM 996 O CYS 64 48.233 32.513 36.661 1.00 0.00 PROA O ATOM 997 N ASN 65 48.704 31.003 38.175 1.00 0.00 PROA N ATOM 998 HN ASN 65 48.296 30.429 38.883 1.00 0.00 PROA H ATOM 999 CA ASN 65 50.013 30.791 37.552 1.00 0.00 PROA C ATOM 1000 HA ASN 65 50.473 31.664 37.092 1.00 0.00 PROA H ATOM 1001 CB ASN 65 50.931 30.149 38.597 1.00 0.00 PROA C ATOM 1002 HB1 ASN 65 50.424 29.267 39.039 1.00 0.00 PROA H ATOM 1003 HB2 ASN 65 51.070 30.885 39.420 1.00 0.00 PROA H ATOM 1004 CG ASN 65 52.327 29.845 38.050 1.00 0.00 PROA C ATOM 1005 OD1 ASN 65 52.863 30.323 37.429 1.00 0.00 PROA O ATOM 1006 ND2 ASN 65 52.737 28.724 38.637 1.00 0.00 PROA N ATOM 1007 HD21 ASN 65 53.580 28.313 38.310 1.00 0.00 PROA H ATOM 1008 HD22 ASN 65 52.158 28.276 39.322 1.00 0.00 PROA H ATOM 1009 C ASN 65 50.061 29.412 36.506 1.00 0.00 PROA C ATOM 1010 O ASN 65 49.010 28.608 36.906 1.00 0.00 PROA O ATOM 1011 N ASP 66 50.806 29.343 35.585 1.00 0.00 PROA N ATOM 1012 HN ASP 66 51.418 30.120 35.447 1.00 0.00 PROA H ATOM 1013 CA ASP 66 50.648 28.410 34.338 1.00 0.00 PROA C ATOM 1014 HA ASP 66 50.241 27.439 34.588 1.00 0.00 PROA H ATOM 1015 CB ASP 66 49.683 29.439 33.395 1.00 0.00 PROA C ATOM 1016 HB1 ASP 66 49.020 29.854 34.094 1.00 0.00 PROA H ATOM 1017 HB2 ASP 66 49.226 28.867 32.580 1.00 0.00 PROA H ATOM 1018 CG ASP 66 50.592 30.542 32.942 1.00 0.00 PROA C ATOM 1019 OD1 ASP 66 51.477 30.936 33.204 1.00 0.00 PROA O ATOM 1020 OD2 ASP 66 50.222 30.999 31.675 1.00 0.00 PROA O ATOM 1021 C ASP 66 51.838 28.355 33.862 1.00 0.00 PROA C ATOM 1022 O ASP 66 52.084 27.442 33.111 1.00 0.00 PROA O ATOM 1023 N GLY 67 53.154 28.523 34.318 1.00 0.00 PROA N ATOM 1024 HN GLY 67 53.065 29.233 35.014 1.00 0.00 PROA H ATOM 1025 CA GLY 67 54.221 28.167 34.359 1.00 0.00 PROA C ATOM 1026 HA1 GLY 67 54.234 27.092 34.271 1.00 0.00 PROA H ATOM 1027 HA2 GLY 67 54.646 28.491 35.298 1.00 0.00 PROA H ATOM 1028 C GLY 67 54.857 28.547 33.570 1.00 0.00 PROA C ATOM 1029 O GLY 67 56.177 28.314 33.298 1.00 0.00 PROA O ATOM 1030 N ARG 68 54.371 29.505 32.171 1.00 0.00 PROA N ATOM 1031 HN ARG 68 53.375 29.628 32.129 1.00 0.00 PROA H ATOM 1032 CA ARG 68 54.987 30.172 31.176 1.00 0.00 PROA C ATOM 1033 HA ARG 68 56.040 30.104 31.408 1.00 0.00 PROA H ATOM 1034 CB ARG 68 54.802 29.351 29.644 1.00 0.00 PROA C ATOM 1035 HB1 ARG 68 55.099 28.298 29.810 1.00 0.00 PROA H ATOM 1036 HB2 ARG 68 55.464 29.829 28.901 1.00 0.00 PROA H ATOM 1037 CG ARG 68 53.384 29.581 29.584 1.00 0.00 PROA C ATOM 1038 HG1 ARG 68 52.902 30.566 29.744 1.00 0.00 PROA H ATOM 1039 HG2 ARG 68 52.796 28.798 30.112 1.00 0.00 PROA H ATOM 1040 CD ARG 68 53.259 29.340 27.973 1.00 0.00 PROA C ATOM 1041 HD1 ARG 68 53.838 28.419 27.745 1.00 0.00 PROA H ATOM 1042 HD2 ARG 68 53.661 30.240 27.460 1.00 0.00 PROA H ATOM 1043 NE ARG 68 51.750 29.069 27.623 1.00 0.00 PROA N ATOM 1044 HE ARG 68 51.046 29.135 28.327 1.00 0.00 PROA H ATOM 1045 CZ ARG 68 51.410 29.001 26.502 1.00 0.00 PROA C ATOM 1046 NH1 ARG 68 52.353 29.065 25.562 1.00 0.00 PROA N ATOM 1047 HH11 ARG 68 53.272 28.779 25.841 1.00 0.00 PROA H ATOM 1048 HH12 ARG 68 52.036 28.912 24.636 1.00 0.00 PROA H ATOM 1049 NH2 ARG 68 50.124 28.951 26.146 1.00 0.00 PROA N ATOM 1050 HH21 ARG 68 49.433 29.077 26.853 1.00 0.00 PROA H ATOM 1051 HH22 ARG 68 49.796 28.839 25.199 1.00 0.00 PROA H ATOM 1052 C ARG 68 54.769 31.498 30.984 1.00 0.00 PROA C ATOM 1053 O ARG 68 55.008 31.922 29.871 1.00 0.00 PROA O ATOM 1054 N THR 69 54.283 32.281 31.805 1.00 0.00 PROA N ATOM 1055 HN THR 69 53.899 31.889 32.637 1.00 0.00 PROA H ATOM 1056 CA THR 69 54.003 33.670 31.643 1.00 0.00 PROA C ATOM 1057 HA THR 69 54.123 34.038 30.634 1.00 0.00 PROA H ATOM 1058 CB THR 69 52.492 33.832 32.108 1.00 0.00 PROA C ATOM 1059 HB THR 69 52.215 33.436 33.096 1.00 0.00 PROA H ATOM 1060 OG1 THR 69 51.766 33.145 31.063 1.00 0.00 PROA O ATOM 1061 HG1 THR 69 51.420 32.301 31.444 1.00 0.00 PROA H ATOM 1062 CG2 THR 69 52.180 35.516 31.982 1.00 0.00 PROA C ATOM 1063 HG21 THR 69 52.524 35.863 30.994 1.00 0.00 PROA H ATOM 1064 HG22 THR 69 52.674 36.066 32.796 1.00 0.00 PROA H ATOM 1065 HG23 THR 69 51.086 35.647 32.066 1.00 0.00 PROA H ATOM 1066 C THR 69 54.927 34.378 32.762 1.00 0.00 PROA C ATOM 1067 O THR 69 54.145 34.483 33.819 1.00 0.00 PROA O ATOM 1068 N PRO 70 55.962 34.630 32.475 1.00 0.00 PROA N ATOM 1069 CD PRO 70 56.482 34.537 31.289 1.00 0.00 PROA C ATOM 1070 HD1 PRO 70 55.949 35.179 30.536 1.00 0.00 PROA H ATOM 1071 HD2 PRO 70 56.590 33.486 30.921 1.00 0.00 PROA H ATOM 1072 CA PRO 70 56.882 35.420 33.415 1.00 0.00 PROA C ATOM 1073 HA PRO 70 57.090 34.688 34.187 1.00 0.00 PROA H ATOM 1074 CB PRO 70 58.040 35.743 32.797 1.00 0.00 PROA C ATOM 1075 HB1 PRO 70 58.957 35.349 33.325 1.00 0.00 PROA H ATOM 1076 HB2 PRO 70 58.248 36.830 32.553 1.00 0.00 PROA H ATOM 1077 CG PRO 70 57.679 35.092 31.707 1.00 0.00 PROA C ATOM 1078 HG1 PRO 70 58.090 35.654 30.811 1.00 0.00 PROA H ATOM 1079 HG2 PRO 70 58.372 34.182 31.710 1.00 0.00 PROA H ATOM 1080 C PRO 70 56.564 36.632 34.254 1.00 0.00 PROA C ATOM 1081 O PRO 70 56.923 36.528 35.487 1.00 0.00 PROA O ATOM 1082 N GLY 71 55.631 37.384 33.953 1.00 0.00 PROA N ATOM 1083 HN GLY 71 55.187 37.284 33.066 1.00 0.00 PROA H ATOM 1084 CA GLY 71 55.201 38.487 34.795 1.00 0.00 PROA C ATOM 1085 HA1 GLY 71 54.490 39.069 34.228 1.00 0.00 PROA H ATOM 1086 HA2 GLY 71 56.065 39.067 35.090 1.00 0.00 PROA H ATOM 1087 C GLY 71 54.534 38.091 35.984 1.00 0.00 PROA C ATOM 1088 O GLY 71 54.417 39.024 36.667 1.00 0.00 PROA O ATOM 1089 N SER 72 54.340 36.900 35.917 1.00 0.00 PROA N ATOM 1090 HN SER 72 54.640 36.313 35.175 1.00 0.00 PROA H ATOM 1091 CA SER 72 53.492 36.394 36.968 1.00 0.00 PROA C ATOM 1092 HA SER 72 52.507 36.841 36.837 1.00 0.00 PROA H ATOM 1093 CB SER 72 53.472 34.721 36.825 1.00 0.00 PROA C ATOM 1094 HB1 SER 72 53.071 34.199 37.712 1.00 0.00 PROA H ATOM 1095 HB2 SER 72 54.443 34.329 36.475 1.00 0.00 PROA H ATOM 1096 OG SER 72 52.539 34.811 35.893 1.00 0.00 PROA O ATOM 1097 HG1 SER 72 52.971 34.684 35.031 1.00 0.00 PROA H ATOM 1098 C SER 72 53.789 36.453 38.732 1.00 0.00 PROA C ATOM 1099 O SER 72 54.748 36.349 39.176 1.00 0.00 PROA O ATOM 1100 N ARG 73 52.652 36.942 39.136 1.00 0.00 PROA N ATOM 1101 HN ARG 73 51.870 36.965 38.512 1.00 0.00 PROA H ATOM 1102 CA ARG 73 52.402 37.283 40.350 1.00 0.00 PROA C ATOM 1103 HA ARG 73 53.112 36.880 41.061 1.00 0.00 PROA H ATOM 1104 CB ARG 73 52.038 38.896 40.699 1.00 0.00 PROA C ATOM 1105 HB1 ARG 73 51.542 38.944 41.675 1.00 0.00 PROA H ATOM 1106 HB2 ARG 73 51.373 39.262 39.908 1.00 0.00 PROA H ATOM 1107 CG ARG 73 53.426 40.164 40.875 1.00 0.00 PROA C ATOM 1108 HG1 ARG 73 54.218 39.510 40.382 1.00 0.00 PROA H ATOM 1109 HG2 ARG 73 53.600 40.118 41.989 1.00 0.00 PROA H ATOM 1110 CD ARG 73 53.075 41.012 40.414 1.00 0.00 PROA C ATOM 1111 HD1 ARG 73 52.247 41.563 40.961 1.00 0.00 PROA H ATOM 1112 HD2 ARG 73 52.717 40.871 39.341 1.00 0.00 PROA H ATOM 1113 NE ARG 73 54.272 41.865 40.363 1.00 0.00 PROA N ATOM 1114 HE ARG 73 55.134 41.534 40.743 1.00 0.00 PROA H ATOM 1115 CZ ARG 73 54.301 43.068 39.750 1.00 0.00 PROA C ATOM 1116 NH1 ARG 73 53.269 43.486 39.006 1.00 0.00 PROA N ATOM 1117 HH11 ARG 73 52.404 43.063 39.257 1.00 0.00 PROA H ATOM 1118 HH12 ARG 73 53.241 44.459 38.800 1.00 0.00 PROA H ATOM 1119 NH2 ARG 73 55.365 43.836 39.899 1.00 0.00 PROA N ATOM 1120 HH21 ARG 73 56.158 43.456 40.387 1.00 0.00 PROA H ATOM 1121 HH22 ARG 73 55.406 44.790 39.601 1.00 0.00 PROA H ATOM 1122 C ARG 73 51.039 36.432 40.502 1.00 0.00 PROA C ATOM 1123 O ARG 73 50.462 36.150 39.632 1.00 0.00 PROA O ATOM 1124 N ASN 74 50.888 35.389 41.648 1.00 0.00 PROA N ATOM 1125 HN ASN 74 51.521 35.246 42.408 1.00 0.00 PROA H ATOM 1126 CA ASN 74 50.055 34.640 41.370 1.00 0.00 PROA C ATOM 1127 HA ASN 74 49.461 34.591 40.462 1.00 0.00 PROA H ATOM 1128 CB ASN 74 50.422 32.963 41.880 1.00 0.00 PROA C ATOM 1129 HB1 ASN 74 50.596 32.918 42.952 1.00 0.00 PROA H ATOM 1130 HB2 ASN 74 51.279 32.619 41.298 1.00 0.00 PROA H ATOM 1131 CG ASN 74 49.123 31.947 41.500 1.00 0.00 PROA C ATOM 1132 OD1 ASN 74 49.336 31.119 41.650 1.00 0.00 PROA O ATOM 1133 ND2 ASN 74 47.914 32.603 41.407 1.00 0.00 PROA N ATOM 1134 HD21 ASN 74 47.118 32.058 41.173 1.00 0.00 PROA H ATOM 1135 HD22 ASN 74 47.915 33.582 41.235 1.00 0.00 PROA H ATOM 1136 C ASN 74 48.823 35.049 42.891 1.00 0.00 PROA C ATOM 1137 O ASN 74 48.576 34.333 44.019 1.00 0.00 PROA O ATOM 1138 N LEU 75 48.084 36.214 42.120 1.00 0.00 PROA N ATOM 1139 HN LEU 75 48.291 36.580 41.209 1.00 0.00 PROA H ATOM 1140 CA LEU 75 47.265 36.781 42.858 1.00 0.00 PROA C ATOM 1141 HA LEU 75 47.720 36.849 43.827 1.00 0.00 PROA H ATOM 1142 CB LEU 75 46.600 38.423 42.537 1.00 0.00 PROA C ATOM 1143 HB1 LEU 75 45.695 38.520 43.179 1.00 0.00 PROA H ATOM 1144 HB2 LEU 75 46.270 38.384 41.473 1.00 0.00 PROA H ATOM 1145 CG LEU 75 47.520 39.195 42.797 1.00 0.00 PROA C ATOM 1146 HG LEU 75 47.253 40.261 42.542 1.00 0.00 PROA H ATOM 1147 CD1 LEU 75 47.870 39.128 44.359 1.00 0.00 PROA C ATOM 1148 HD11 LEU 75 48.547 38.310 44.650 1.00 0.00 PROA H ATOM 1149 HD12 LEU 75 46.942 39.096 44.961 1.00 0.00 PROA H ATOM 1150 HD13 LEU 75 48.401 40.071 44.616 1.00 0.00 PROA H ATOM 1151 CD2 LEU 75 48.780 38.809 42.147 1.00 0.00 PROA C ATOM 1152 HD21 LEU 75 48.645 38.496 41.088 1.00 0.00 PROA H ATOM 1153 HD22 LEU 75 49.415 38.096 42.712 1.00 0.00 PROA H ATOM 1154 HD23 LEU 75 49.415 39.726 42.100 1.00 0.00 PROA H ATOM 1155 C LEU 75 46.122 35.807 43.282 1.00 0.00 PROA C ATOM 1156 O LEU 75 45.608 35.403 44.510 1.00 0.00 PROA O ATOM 1157 N CYS 76 45.311 34.898 42.525 1.00 0.00 PROA N ATOM 1158 HN CYS 76 45.347 34.811 41.530 1.00 0.00 PROA H ATOM 1159 CA CYS 76 44.479 33.856 43.290 1.00 0.00 PROA C ATOM 1160 HA CYS 76 44.000 34.162 44.211 1.00 0.00 PROA H ATOM 1161 CB CYS 76 43.079 33.448 42.443 1.00 0.00 PROA C ATOM 1162 HB1 CYS 76 42.516 32.757 43.103 1.00 0.00 PROA H ATOM 1163 HB2 CYS 76 43.435 32.848 41.581 1.00 0.00 PROA H ATOM 1164 SG CYS 76 41.895 34.732 41.813 1.00 0.00 PROA S ATOM 1165 HG1 CYS 76 42.693 35.192 40.860 1.00 0.00 PROA H ATOM 1166 C CYS 76 45.302 32.466 43.551 1.00 0.00 PROA C ATOM 1167 O CYS 76 44.518 31.796 44.072 1.00 0.00 PROA O ATOM 1168 N ASN 77 46.510 32.339 43.688 1.00 0.00 PROA N ATOM 1169 HN ASN 77 47.016 33.134 43.361 1.00 0.00 PROA H ATOM 1170 CA ASN 77 47.281 31.635 44.281 1.00 0.00 PROA C ATOM 1171 HA ASN 77 48.268 31.757 43.861 1.00 0.00 PROA H ATOM 1172 CB ASN 77 47.323 31.554 45.679 1.00 0.00 PROA C ATOM 1173 HB1 ASN 77 46.486 30.976 46.151 1.00 0.00 PROA H ATOM 1174 HB2 ASN 77 47.108 32.606 46.039 1.00 0.00 PROA H ATOM 1175 CG ASN 77 48.515 31.205 46.245 1.00 0.00 PROA C ATOM 1176 OD1 ASN 77 49.247 30.073 46.073 1.00 0.00 PROA O ATOM 1177 ND2 ASN 77 49.528 31.834 46.846 1.00 0.00 PROA N ATOM 1178 HD21 ASN 77 50.341 31.257 46.905 1.00 0.00 PROA H ATOM 1179 HD22 ASN 77 49.593 32.825 46.769 1.00 0.00 PROA H ATOM 1180 C ASN 77 46.605 30.052 43.769 1.00 0.00 PROA C ATOM 1181 O ASN 77 46.474 29.262 44.571 1.00 0.00 PROA O ATOM 1182 N ILE 78 46.285 29.923 42.670 1.00 0.00 PROA N ATOM 1183 HN ILE 78 46.413 30.679 42.048 1.00 0.00 PROA H ATOM 1184 CA ILE 78 45.685 28.714 42.107 1.00 0.00 PROA C ATOM 1185 HA ILE 78 45.944 27.891 42.756 1.00 0.00 PROA H ATOM 1186 CB ILE 78 44.292 28.586 41.839 1.00 0.00 PROA C ATOM 1187 HB ILE 78 43.733 28.984 42.724 1.00 0.00 PROA H ATOM 1188 CG2 ILE 78 44.057 29.768 40.625 1.00 0.00 PROA C ATOM 1189 HG21 ILE 78 44.360 29.381 39.636 1.00 0.00 PROA H ATOM 1190 HG22 ILE 78 44.580 30.706 40.871 1.00 0.00 PROA H ATOM 1191 HG23 ILE 78 42.975 29.970 40.575 1.00 0.00 PROA H ATOM 1192 CG1 ILE 78 43.674 27.353 41.432 1.00 0.00 PROA C ATOM 1193 HG11 ILE 78 44.115 26.972 40.494 1.00 0.00 PROA H ATOM 1194 HG12 ILE 78 42.590 27.531 41.220 1.00 0.00 PROA H ATOM 1195 CD ILE 78 43.762 26.325 42.601 1.00 0.00 PROA C ATOM 1196 HD1 ILE 78 43.225 26.714 43.492 1.00 0.00 PROA H ATOM 1197 HD2 ILE 78 44.805 26.103 42.897 1.00 0.00 PROA H ATOM 1198 HD3 ILE 78 43.275 25.371 42.306 1.00 0.00 PROA H ATOM 1199 C ILE 78 46.456 28.515 40.792 1.00 0.00 PROA C ATOM 1200 O ILE 78 46.802 29.349 39.905 1.00 0.00 PROA O ATOM 1201 N PRO 79 46.828 27.392 40.159 1.00 0.00 PROA N ATOM 1202 CD PRO 79 46.744 26.216 40.859 1.00 0.00 PROA C ATOM 1203 HD1 PRO 79 45.715 25.809 40.795 1.00 0.00 PROA H ATOM 1204 HD2 PRO 79 47.041 26.317 41.929 1.00 0.00 PROA H ATOM 1205 CA PRO 79 47.554 27.165 38.810 1.00 0.00 PROA C ATOM 1206 HA PRO 79 48.285 27.940 38.769 1.00 0.00 PROA H ATOM 1207 CB PRO 79 48.221 25.753 38.946 1.00 0.00 PROA C ATOM 1208 HB1 PRO 79 49.319 25.883 39.056 1.00 0.00 PROA H ATOM 1209 HB2 PRO 79 48.022 25.127 38.052 1.00 0.00 PROA H ATOM 1210 CG PRO 79 47.635 25.120 40.220 1.00 0.00 PROA C ATOM 1211 HG1 PRO 79 47.009 24.240 39.957 1.00 0.00 PROA H ATOM 1212 HG2 PRO 79 48.432 24.799 40.920 1.00 0.00 PROA H ATOM 1213 C PRO 79 46.379 27.322 37.678 1.00 0.00 PROA C ATOM 1214 O PRO 79 45.411 26.510 37.976 1.00 0.00 PROA O ATOM 1215 N CYS 80 46.571 27.935 36.938 1.00 0.00 PROA N ATOM 1216 HN CYS 80 47.464 28.398 36.951 1.00 0.00 PROA H ATOM 1217 CA CYS 80 45.585 28.246 35.437 1.00 0.00 PROA C ATOM 1218 HA CYS 80 44.946 29.060 35.720 1.00 0.00 PROA H ATOM 1219 CB CYS 80 46.636 29.032 34.359 1.00 0.00 PROA C ATOM 1220 HB1 CYS 80 46.114 28.931 33.410 1.00 0.00 PROA H ATOM 1221 HB2 CYS 80 47.527 28.378 34.342 1.00 0.00 PROA H ATOM 1222 SG CYS 80 46.991 30.723 34.858 1.00 0.00 PROA S ATOM 1223 HG1 CYS 80 46.010 31.278 34.155 1.00 0.00 PROA H ATOM 1224 C CYS 80 44.466 27.226 35.289 1.00 0.00 PROA C ATOM 1225 O CYS 80 43.303 27.381 35.186 1.00 0.00 PROA O ATOM 1226 N SER 81 45.193 26.062 35.031 1.00 0.00 PROA N ATOM 1227 HN SER 81 46.186 26.106 35.097 1.00 0.00 PROA H ATOM 1228 CA SER 81 44.650 24.860 34.852 1.00 0.00 PROA C ATOM 1229 HA SER 81 44.260 24.898 33.844 1.00 0.00 PROA H ATOM 1230 CB SER 81 45.847 23.996 34.781 1.00 0.00 PROA C ATOM 1231 HB1 SER 81 46.819 24.529 34.667 1.00 0.00 PROA H ATOM 1232 HB2 SER 81 45.766 23.302 33.913 1.00 0.00 PROA H ATOM 1233 OG SER 81 45.880 22.979 36.244 1.00 0.00 PROA O ATOM 1234 HG1 SER 81 45.212 22.285 36.137 1.00 0.00 PROA H ATOM 1235 C SER 81 43.557 24.390 35.618 1.00 0.00 PROA C ATOM 1236 O SER 81 42.479 23.793 34.961 1.00 0.00 PROA O ATOM 1237 N ALA 82 43.667 24.621 36.794 1.00 0.00 PROA N ATOM 1238 HN ALA 82 44.523 25.008 37.151 1.00 0.00 PROA H ATOM 1239 CA ALA 82 42.448 24.576 37.850 1.00 0.00 PROA C ATOM 1240 HA ALA 82 42.233 23.526 38.000 1.00 0.00 PROA H ATOM 1241 CB ALA 82 42.621 25.189 39.217 1.00 0.00 PROA C ATOM 1242 HB1 ALA 82 42.719 26.292 39.121 1.00 0.00 PROA H ATOM 1243 HB2 ALA 82 43.544 24.795 39.697 1.00 0.00 PROA H ATOM 1244 HB3 ALA 82 41.755 24.965 39.878 1.00 0.00 PROA H ATOM 1245 C ALA 82 41.216 25.159 37.149 1.00 0.00 PROA C ATOM 1246 O ALA 82 39.932 24.484 37.519 1.00 0.00 PROA O ATOM 1247 N LEU 83 41.456 26.358 36.572 1.00 0.00 PROA N ATOM 1248 HN LEU 83 42.380 26.726 36.444 1.00 0.00 PROA H ATOM 1249 CA LEU 83 40.488 27.043 35.907 1.00 0.00 PROA C ATOM 1250 HA LEU 83 39.733 27.162 36.657 1.00 0.00 PROA H ATOM 1251 CB LEU 83 40.893 28.558 35.441 1.00 0.00 PROA C ATOM 1252 HB1 LEU 83 39.964 29.063 35.103 1.00 0.00 PROA H ATOM 1253 HB2 LEU 83 41.607 28.647 34.623 1.00 0.00 PROA H ATOM 1254 CG LEU 83 41.304 29.185 36.830 1.00 0.00 PROA C ATOM 1255 HG LEU 83 42.167 28.660 37.289 1.00 0.00 PROA H ATOM 1256 CD1 LEU 83 41.795 30.609 36.439 1.00 0.00 PROA C ATOM 1257 HD11 LEU 83 41.019 31.121 35.839 1.00 0.00 PROA H ATOM 1258 HD12 LEU 83 42.698 30.523 35.800 1.00 0.00 PROA H ATOM 1259 HD13 LEU 83 42.036 31.211 37.338 1.00 0.00 PROA H ATOM 1260 CD2 LEU 83 40.106 29.196 37.813 1.00 0.00 PROA C ATOM 1261 HD21 LEU 83 39.838 28.207 38.226 1.00 0.00 PROA H ATOM 1262 HD22 LEU 83 39.251 29.667 37.302 1.00 0.00 PROA H ATOM 1263 HD23 LEU 83 40.366 29.839 38.681 1.00 0.00 PROA H ATOM 1264 C LEU 83 39.547 26.312 34.947 1.00 0.00 PROA C ATOM 1265 O LEU 83 38.459 26.726 34.884 1.00 0.00 PROA O ATOM 1266 N LEU 84 40.104 25.444 34.444 1.00 0.00 PROA N ATOM 1267 HN LEU 84 41.042 25.186 34.673 1.00 0.00 PROA H ATOM 1268 CA LEU 84 39.436 24.777 33.191 1.00 0.00 PROA C ATOM 1269 HA LEU 84 38.743 25.500 32.812 1.00 0.00 PROA H ATOM 1270 CB LEU 84 40.164 24.021 31.798 1.00 0.00 PROA C ATOM 1271 HB1 LEU 84 39.522 24.413 31.074 1.00 0.00 PROA H ATOM 1272 HB2 LEU 84 40.379 22.954 31.800 1.00 0.00 PROA H ATOM 1273 CG LEU 84 41.807 24.885 31.617 1.00 0.00 PROA C ATOM 1274 HG LEU 84 42.300 24.989 32.578 1.00 0.00 PROA H ATOM 1275 CD1 LEU 84 42.289 24.184 30.617 1.00 0.00 PROA C ATOM 1276 HD11 LEU 84 41.603 24.180 29.731 1.00 0.00 PROA H ATOM 1277 HD12 LEU 84 42.474 23.114 30.879 1.00 0.00 PROA H ATOM 1278 HD13 LEU 84 43.259 24.601 30.242 1.00 0.00 PROA H ATOM 1279 CD2 LEU 84 40.871 26.362 31.088 1.00 0.00 PROA C ATOM 1280 HD21 LEU 84 40.397 26.802 31.975 1.00 0.00 PROA H ATOM 1281 HD22 LEU 84 40.144 26.121 30.318 1.00 0.00 PROA H ATOM 1282 HD23 LEU 84 41.618 27.052 30.672 1.00 0.00 PROA H ATOM 1283 C LEU 84 38.669 23.570 33.425 1.00 0.00 PROA C ATOM 1284 O LEU 84 38.129 22.940 32.783 1.00 0.00 PROA O ATOM 1285 N SER 85 38.713 23.074 34.687 1.00 0.00 PROA N ATOM 1286 HN SER 85 39.189 23.585 35.397 1.00 0.00 PROA H ATOM 1287 CA SER 85 38.014 21.867 35.063 1.00 0.00 PROA C ATOM 1288 HA SER 85 38.108 21.104 34.303 1.00 0.00 PROA H ATOM 1289 CB SER 85 38.428 21.325 36.457 1.00 0.00 PROA C ATOM 1290 HB1 SER 85 39.519 21.098 36.409 1.00 0.00 PROA H ATOM 1291 HB2 SER 85 37.928 20.347 36.646 1.00 0.00 PROA H ATOM 1292 OG SER 85 38.212 22.158 37.579 1.00 0.00 PROA O ATOM 1293 HG1 SER 85 38.820 22.917 37.504 1.00 0.00 PROA H ATOM 1294 C SER 85 36.182 22.136 35.514 1.00 0.00 PROA C ATOM 1295 O SER 85 35.689 23.266 35.029 1.00 0.00 PROA O ATOM 1296 N SER 86 35.475 21.179 35.355 1.00 0.00 PROA N ATOM 1297 HN SER 86 35.872 20.278 35.490 1.00 0.00 PROA H ATOM 1298 CA SER 86 34.338 21.204 34.858 1.00 0.00 PROA C ATOM 1299 HA SER 86 34.141 21.993 34.140 1.00 0.00 PROA H ATOM 1300 CB SER 86 33.774 19.845 34.250 1.00 0.00 PROA C ATOM 1301 HB1 SER 86 32.708 20.070 34.009 1.00 0.00 PROA H ATOM 1302 HB2 SER 86 33.737 19.128 35.103 1.00 0.00 PROA H ATOM 1303 OG SER 86 34.160 19.207 33.359 1.00 0.00 PROA O ATOM 1304 HG1 SER 86 35.017 18.812 33.591 1.00 0.00 PROA H ATOM 1305 C SER 86 33.592 21.490 36.187 1.00 0.00 PROA C ATOM 1306 O SER 86 32.655 21.782 36.256 1.00 0.00 PROA O ATOM 1307 N ASP 87 34.370 21.823 37.215 1.00 0.00 PROA N ATOM 1308 HN ASP 87 35.358 21.754 37.240 1.00 0.00 PROA H ATOM 1309 CA ASP 87 33.722 22.653 38.327 1.00 0.00 PROA C ATOM 1310 HA ASP 87 32.642 22.594 38.407 1.00 0.00 PROA H ATOM 1311 CB ASP 87 34.447 22.023 39.384 1.00 0.00 PROA C ATOM 1312 HB1 ASP 87 35.540 22.199 39.535 1.00 0.00 PROA H ATOM 1313 HB2 ASP 87 34.462 20.915 39.149 1.00 0.00 PROA H ATOM 1314 CG ASP 87 33.773 22.010 40.625 1.00 0.00 PROA C ATOM 1315 OD1 ASP 87 33.671 22.738 41.336 1.00 0.00 PROA O ATOM 1316 OD2 ASP 87 33.003 21.216 40.996 1.00 0.00 PROA O ATOM 1317 C ASP 87 34.346 24.147 38.633 1.00 0.00 PROA C ATOM 1318 O ASP 87 35.507 24.190 38.465 1.00 0.00 PROA O ATOM 1319 N ILE 88 33.594 25.007 38.469 1.00 0.00 PROA N ATOM 1320 HN ILE 88 32.662 24.709 38.303 1.00 0.00 PROA H ATOM 1321 CA ILE 88 33.712 26.467 38.539 1.00 0.00 PROA C ATOM 1322 HA ILE 88 34.604 26.634 37.950 1.00 0.00 PROA H ATOM 1323 CB ILE 88 32.746 27.380 37.689 1.00 0.00 PROA C ATOM 1324 HB ILE 88 33.103 28.416 37.537 1.00 0.00 PROA H ATOM 1325 CG2 ILE 88 32.544 26.649 36.223 1.00 0.00 PROA C ATOM 1326 HG21 ILE 88 32.147 25.625 36.344 1.00 0.00 PROA H ATOM 1327 HG22 ILE 88 33.522 26.601 35.705 1.00 0.00 PROA H ATOM 1328 HG23 ILE 88 31.833 27.245 35.619 1.00 0.00 PROA H ATOM 1329 CG1 ILE 88 31.598 27.233 38.386 1.00 0.00 PROA C ATOM 1330 HG11 ILE 88 31.787 27.341 39.485 1.00 0.00 PROA H ATOM 1331 HG12 ILE 88 31.160 26.213 38.280 1.00 0.00 PROA H ATOM 1332 CD ILE 88 30.230 28.279 38.304 1.00 0.00 PROA C ATOM 1333 HD1 ILE 88 29.549 27.880 37.529 1.00 0.00 PROA H ATOM 1334 HD2 ILE 88 30.566 29.281 37.994 1.00 0.00 PROA H ATOM 1335 HD3 ILE 88 29.723 28.295 39.284 1.00 0.00 PROA H ATOM 1336 C ILE 88 34.226 26.913 39.940 1.00 0.00 PROA C ATOM 1337 O ILE 88 34.223 28.396 39.571 1.00 0.00 PROA O ATOM 1338 N THR 89 34.506 26.185 40.731 1.00 0.00 PROA N ATOM 1339 HN THR 89 34.381 25.198 40.614 1.00 0.00 PROA H ATOM 1340 CA THR 89 34.760 26.675 42.089 1.00 0.00 PROA C ATOM 1341 HA THR 89 33.814 27.050 42.468 1.00 0.00 PROA H ATOM 1342 CB THR 89 35.118 25.680 42.877 1.00 0.00 PROA C ATOM 1343 HB THR 89 35.970 25.012 42.605 1.00 0.00 PROA H ATOM 1344 OG1 THR 89 33.890 24.797 43.225 1.00 0.00 PROA O ATOM 1345 HG1 THR 89 33.806 24.064 42.571 1.00 0.00 PROA H ATOM 1346 CG2 THR 89 35.362 26.407 44.293 1.00 0.00 PROA C ATOM 1347 HG21 THR 89 34.519 27.082 44.543 1.00 0.00 PROA H ATOM 1348 HG22 THR 89 36.320 26.947 44.340 1.00 0.00 PROA H ATOM 1349 HG23 THR 89 35.399 25.621 45.077 1.00 0.00 PROA H ATOM 1350 C THR 89 35.734 27.964 42.099 1.00 0.00 PROA C ATOM 1351 O THR 89 35.382 28.698 42.439 1.00 0.00 PROA O ATOM 1352 N ALA 90 36.777 27.191 41.812 1.00 0.00 PROA N ATOM 1353 HN ALA 90 36.740 26.223 41.587 1.00 0.00 PROA H ATOM 1354 CA ALA 90 38.019 28.182 41.128 1.00 0.00 PROA C ATOM 1355 HA ALA 90 38.555 28.325 42.070 1.00 0.00 PROA H ATOM 1356 CB ALA 90 39.042 26.824 40.869 1.00 0.00 PROA C ATOM 1357 HB1 ALA 90 38.694 26.280 39.974 1.00 0.00 PROA H ATOM 1358 HB2 ALA 90 39.007 26.163 41.752 1.00 0.00 PROA H ATOM 1359 HB3 ALA 90 40.075 27.185 40.715 1.00 0.00 PROA H ATOM 1360 C ALA 90 37.874 29.208 40.848 1.00 0.00 PROA C ATOM 1361 O ALA 90 38.192 29.961 41.218 1.00 0.00 PROA O ATOM 1362 N SER 91 37.298 29.155 39.792 1.00 0.00 PROA N ATOM 1363 HN SER 91 36.996 28.277 39.440 1.00 0.00 PROA H ATOM 1364 CA SER 91 37.056 30.491 38.815 1.00 0.00 PROA C ATOM 1365 HA SER 91 38.016 30.913 38.565 1.00 0.00 PROA H ATOM 1366 CB SER 91 36.328 30.000 37.499 1.00 0.00 PROA C ATOM 1367 HB1 SER 91 36.203 30.872 36.817 1.00 0.00 PROA H ATOM 1368 HB2 SER 91 35.319 29.589 37.706 1.00 0.00 PROA H ATOM 1369 OG SER 91 37.148 28.905 36.718 1.00 0.00 PROA O ATOM 1370 HG1 SER 91 36.899 28.020 37.007 1.00 0.00 PROA H ATOM 1371 C SER 91 36.353 31.428 39.450 1.00 0.00 PROA C ATOM 1372 O SER 91 36.629 32.382 39.600 1.00 0.00 PROA O ATOM 1373 N VAL 92 35.057 30.991 39.879 1.00 0.00 PROA N ATOM 1374 HN VAL 92 34.756 30.035 39.773 1.00 0.00 PROA H ATOM 1375 CA VAL 92 34.178 31.850 40.461 1.00 0.00 PROA C ATOM 1376 HA VAL 92 33.874 32.617 39.767 1.00 0.00 PROA H ATOM 1377 CB VAL 92 32.709 31.052 41.288 1.00 0.00 PROA C ATOM 1378 HB VAL 92 33.203 30.059 41.507 1.00 0.00 PROA H ATOM 1379 CG1 VAL 92 32.056 31.292 42.185 1.00 0.00 PROA C ATOM 1380 HG11 VAL 92 31.882 32.401 42.301 1.00 0.00 PROA H ATOM 1381 HG12 VAL 92 32.439 30.945 43.189 1.00 0.00 PROA H ATOM 1382 HG13 VAL 92 31.021 30.881 42.051 1.00 0.00 PROA H ATOM 1383 CG2 VAL 92 32.102 30.634 39.640 1.00 0.00 PROA C ATOM 1384 HG21 VAL 92 32.867 30.171 39.017 1.00 0.00 PROA H ATOM 1385 HG22 VAL 92 31.726 31.553 39.173 1.00 0.00 PROA H ATOM 1386 HG23 VAL 92 31.280 29.939 39.851 1.00 0.00 PROA H ATOM 1387 C VAL 92 34.804 32.521 41.767 1.00 0.00 PROA C ATOM 1388 O VAL 92 34.837 33.314 41.902 1.00 0.00 PROA O ATOM 1389 N ASN 93 35.586 31.466 42.393 1.00 0.00 PROA N ATOM 1390 HN ASN 93 35.525 30.492 42.164 1.00 0.00 PROA H ATOM 1391 CA ASN 93 36.231 31.964 43.812 1.00 0.00 PROA C ATOM 1392 HA ASN 93 35.526 32.519 44.415 1.00 0.00 PROA H ATOM 1393 CB ASN 93 36.829 30.571 44.486 1.00 0.00 PROA C ATOM 1394 HB1 ASN 93 37.810 30.841 44.957 1.00 0.00 PROA H ATOM 1395 HB2 ASN 93 37.061 29.855 43.677 1.00 0.00 PROA H ATOM 1396 CG ASN 93 36.024 30.060 45.487 1.00 0.00 PROA C ATOM 1397 OD1 ASN 93 35.210 30.557 45.809 1.00 0.00 PROA O ATOM 1398 ND2 ASN 93 36.541 28.903 46.078 1.00 0.00 PROA N ATOM 1399 HD21 ASN 93 36.024 28.508 46.833 1.00 0.00 PROA H ATOM 1400 HD22 ASN 93 37.434 28.560 45.809 1.00 0.00 PROA H ATOM 1401 C ASN 93 37.373 32.824 43.481 1.00 0.00 PROA C ATOM 1402 O ASN 93 37.448 33.745 44.151 1.00 0.00 PROA O ATOM 1403 N CYS 94 37.855 32.766 42.431 1.00 0.00 PROA N ATOM 1404 HN CYS 94 37.502 32.020 41.869 1.00 0.00 PROA H ATOM 1405 CA CYS 94 39.027 33.642 41.699 1.00 0.00 PROA C ATOM 1406 HA CYS 94 39.732 33.819 42.487 1.00 0.00 PROA H ATOM 1407 CB CYS 94 39.466 33.028 40.572 1.00 0.00 PROA C ATOM 1408 HB1 CYS 94 38.828 32.886 39.680 1.00 0.00 PROA H ATOM 1409 HB2 CYS 94 39.729 31.978 40.855 1.00 0.00 PROA H ATOM 1410 SG CYS 94 41.028 33.798 39.993 1.00 0.00 PROA S ATOM 1411 HG1 CYS 94 40.518 35.011 39.804 1.00 0.00 PROA H ATOM 1412 C CYS 94 38.431 34.953 41.204 1.00 0.00 PROA C ATOM 1413 O CYS 94 38.737 36.139 41.361 1.00 0.00 PROA O ATOM 1414 N ALA 95 37.426 34.699 40.410 1.00 0.00 PROA N ATOM 1415 HN ALA 95 37.145 33.758 40.207 1.00 0.00 PROA H ATOM 1416 CA ALA 95 36.435 35.856 39.860 1.00 0.00 PROA C ATOM 1417 HA ALA 95 36.922 36.410 39.072 1.00 0.00 PROA H ATOM 1418 CB ALA 95 35.265 34.974 39.320 1.00 0.00 PROA C ATOM 1419 HB1 ALA 95 34.618 34.579 40.106 1.00 0.00 PROA H ATOM 1420 HB2 ALA 95 35.629 34.190 38.635 1.00 0.00 PROA H ATOM 1421 HB3 ALA 95 34.609 35.635 38.710 1.00 0.00 PROA H ATOM 1422 C ALA 95 36.154 36.722 40.926 1.00 0.00 PROA C ATOM 1423 O ALA 95 35.988 37.693 40.718 1.00 0.00 PROA O ATOM 1424 N LYS 96 35.707 36.401 42.118 1.00 0.00 PROA N ATOM 1425 HN LYS 96 35.595 35.414 42.218 1.00 0.00 PROA H ATOM 1426 CA LYS 96 35.465 37.034 43.317 1.00 0.00 PROA C ATOM 1427 HA LYS 96 34.655 37.719 43.111 1.00 0.00 PROA H ATOM 1428 CB LYS 96 35.040 36.239 44.393 1.00 0.00 PROA C ATOM 1429 HB1 LYS 96 35.002 36.852 45.330 1.00 0.00 PROA H ATOM 1430 HB2 LYS 96 35.738 35.396 44.599 1.00 0.00 PROA H ATOM 1431 CG LYS 96 33.590 35.677 44.197 1.00 0.00 PROA C ATOM 1432 HG1 LYS 96 33.675 34.900 43.393 1.00 0.00 PROA H ATOM 1433 HG2 LYS 96 32.970 36.497 43.744 1.00 0.00 PROA H ATOM 1434 CD LYS 96 32.982 35.185 45.271 1.00 0.00 PROA C ATOM 1435 HD1 LYS 96 32.665 36.020 45.954 1.00 0.00 PROA H ATOM 1436 HD2 LYS 96 33.813 34.694 45.860 1.00 0.00 PROA H ATOM 1437 CE LYS 96 31.825 34.200 45.259 1.00 0.00 PROA C ATOM 1438 HE1 LYS 96 31.708 33.723 44.269 1.00 0.00 PROA H ATOM 1439 HE2 LYS 96 30.868 34.646 45.581 1.00 0.00 PROA H ATOM 1440 NZ LYS 96 32.139 32.980 46.285 1.00 0.00 PROA N ATOM 1441 HZ1 LYS 96 32.107 33.326 47.269 1.00 0.00 PROA H ATOM 1442 HZ2 LYS 96 33.072 32.569 46.097 1.00 0.00 PROA H ATOM 1443 HZ3 LYS 96 31.397 32.263 46.174 1.00 0.00 PROA H ATOM 1444 C LYS 96 36.719 38.022 43.663 1.00 0.00 PROA C ATOM 1445 O LYS 96 36.227 39.284 43.763 1.00 0.00 PROA O ATOM 1446 N LYS 97 37.768 37.954 43.497 1.00 0.00 PROA N ATOM 1447 HN LYS 97 38.103 37.085 43.134 1.00 0.00 PROA H ATOM 1448 CA LYS 97 38.978 39.030 43.714 1.00 0.00 PROA C ATOM 1449 HA LYS 97 38.656 39.703 44.498 1.00 0.00 PROA H ATOM 1450 CB LYS 97 39.917 38.227 44.280 1.00 0.00 PROA C ATOM 1451 HB1 LYS 97 40.721 38.965 44.599 1.00 0.00 PROA H ATOM 1452 HB2 LYS 97 40.404 37.690 43.405 1.00 0.00 PROA H ATOM 1453 CG LYS 97 39.915 37.259 45.286 1.00 0.00 PROA C ATOM 1454 HG1 LYS 97 39.351 36.340 44.982 1.00 0.00 PROA H ATOM 1455 HG2 LYS 97 39.364 37.667 46.172 1.00 0.00 PROA H ATOM 1456 CD LYS 97 41.318 36.807 45.774 1.00 0.00 PROA C ATOM 1457 HD1 LYS 97 42.119 37.476 45.428 1.00 0.00 PROA H ATOM 1458 HD2 LYS 97 41.532 35.756 45.535 1.00 0.00 PROA H ATOM 1459 CE LYS 97 41.317 36.946 47.632 1.00 0.00 PROA C ATOM 1460 HE1 LYS 97 40.582 36.224 48.018 1.00 0.00 PROA H ATOM 1461 HE2 LYS 97 41.090 37.994 47.880 1.00 0.00 PROA H ATOM 1462 NZ LYS 97 42.662 36.591 47.971 1.00 0.00 PROA N ATOM 1463 HZ1 LYS 97 43.344 37.172 47.449 1.00 0.00 PROA H ATOM 1464 HZ2 LYS 97 42.817 35.583 47.744 1.00 0.00 PROA H ATOM 1465 HZ3 LYS 97 42.801 36.713 48.997 1.00 0.00 PROA H ATOM 1466 C LYS 97 39.166 39.923 42.525 1.00 0.00 PROA C ATOM 1467 O LYS 97 39.916 41.010 43.220 1.00 0.00 PROA O ATOM 1468 N ILE 98 38.708 39.483 41.508 1.00 0.00 PROA N ATOM 1469 HN ILE 98 38.295 38.582 41.401 1.00 0.00 PROA H ATOM 1470 CA ILE 98 38.813 40.500 40.328 1.00 0.00 PROA C ATOM 1471 HA ILE 98 39.791 40.978 40.345 1.00 0.00 PROA H ATOM 1472 CB ILE 98 38.676 39.623 39.010 1.00 0.00 PROA C ATOM 1473 HB ILE 98 37.715 39.085 38.956 1.00 0.00 PROA H ATOM 1474 CG2 ILE 98 38.811 40.757 37.928 1.00 0.00 PROA C ATOM 1475 HG21 ILE 98 39.634 41.463 38.164 1.00 0.00 PROA H ATOM 1476 HG22 ILE 98 37.862 41.295 37.726 1.00 0.00 PROA H ATOM 1477 HG23 ILE 98 39.074 40.273 36.965 1.00 0.00 PROA H ATOM 1478 CG1 ILE 98 39.892 38.585 39.053 1.00 0.00 PROA C ATOM 1479 HG11 ILE 98 40.177 38.243 40.057 1.00 0.00 PROA H ATOM 1480 HG12 ILE 98 40.730 39.140 38.635 1.00 0.00 PROA H ATOM 1481 CD ILE 98 39.745 37.103 38.112 1.00 0.00 PROA C ATOM 1482 HD1 ILE 98 39.566 37.369 37.060 1.00 0.00 PROA H ATOM 1483 HD2 ILE 98 38.909 36.520 38.522 1.00 0.00 PROA H ATOM 1484 HD3 ILE 98 40.688 36.563 38.268 1.00 0.00 PROA H ATOM 1485 C ILE 98 37.767 41.554 40.166 1.00 0.00 PROA C ATOM 1486 O ILE 98 38.067 42.263 40.015 1.00 0.00 PROA O ATOM 1487 N VAL 99 36.578 41.080 40.598 1.00 0.00 PROA N ATOM 1488 HN VAL 99 36.460 40.129 40.878 1.00 0.00 PROA H ATOM 1489 CA VAL 99 35.585 41.811 40.506 1.00 0.00 PROA C ATOM 1490 HA VAL 99 35.557 42.391 39.588 1.00 0.00 PROA H ATOM 1491 CB VAL 99 33.956 41.156 40.851 1.00 0.00 PROA C ATOM 1492 HB VAL 99 34.084 40.202 40.254 1.00 0.00 PROA H ATOM 1493 CG1 VAL 99 33.987 40.669 42.357 1.00 0.00 PROA C ATOM 1494 HG11 VAL 99 33.366 41.333 42.992 1.00 0.00 PROA H ATOM 1495 HG12 VAL 99 34.996 40.650 42.741 1.00 0.00 PROA H ATOM 1496 HG13 VAL 99 33.608 39.629 42.368 1.00 0.00 PROA H ATOM 1497 CG2 VAL 99 32.993 41.674 40.543 1.00 0.00 PROA C ATOM 1498 HG21 VAL 99 32.956 41.954 39.451 1.00 0.00 PROA H ATOM 1499 HG22 VAL 99 32.780 42.637 41.089 1.00 0.00 PROA H ATOM 1500 HG23 VAL 99 32.064 41.058 40.717 1.00 0.00 PROA H ATOM 1501 C VAL 99 35.494 42.850 41.881 1.00 0.00 PROA C ATOM 1502 O VAL 99 34.708 43.777 41.940 1.00 0.00 PROA O ATOM 1503 N SER 100 36.570 42.575 42.772 1.00 0.00 PROA N ATOM 1504 HN SER 100 37.246 41.851 42.652 1.00 0.00 PROA H ATOM 1505 CA SER 100 36.364 43.388 44.243 1.00 0.00 PROA C ATOM 1506 HA SER 100 35.583 44.134 44.195 1.00 0.00 PROA H ATOM 1507 CB SER 100 36.374 42.827 45.143 1.00 0.00 PROA C ATOM 1508 HB1 SER 100 36.340 43.386 46.121 1.00 0.00 PROA H ATOM 1509 HB2 SER 100 37.288 42.136 45.262 1.00 0.00 PROA H ATOM 1510 OG SER 100 35.510 41.750 45.630 1.00 0.00 PROA O ATOM 1511 HG1 SER 100 35.690 41.019 45.013 1.00 0.00 PROA H ATOM 1512 C SER 100 37.837 44.121 44.275 1.00 0.00 PROA C ATOM 1513 O SER 100 37.819 44.644 45.154 1.00 0.00 PROA O ATOM 1514 N ASP 101 38.481 44.348 43.249 1.00 0.00 PROA N ATOM 1515 HN ASP 101 38.284 43.856 42.409 1.00 0.00 PROA H ATOM 1516 CA ASP 101 39.732 44.776 43.465 1.00 0.00 PROA C ATOM 1517 HA ASP 101 40.037 44.838 44.508 1.00 0.00 PROA H ATOM 1518 CB ASP 101 40.917 44.130 42.774 1.00 0.00 PROA C ATOM 1519 HB1 ASP 101 41.839 44.688 43.068 1.00 0.00 PROA H ATOM 1520 HB2 ASP 101 40.805 44.385 41.681 1.00 0.00 PROA H ATOM 1521 CG ASP 101 41.274 42.751 42.686 1.00 0.00 PROA C ATOM 1522 OD1 ASP 101 40.942 42.145 43.690 1.00 0.00 PROA O ATOM 1523 OD2 ASP 101 41.873 42.175 41.819 1.00 0.00 PROA O ATOM 1524 C ASP 101 39.614 46.118 43.013 1.00 0.00 PROA C ATOM 1525 O ASP 101 39.903 46.968 43.691 1.00 0.00 PROA O ATOM 1526 N GLY 102 38.931 46.629 41.997 1.00 0.00 PROA N ATOM 1527 HN GLY 102 38.574 45.947 41.373 1.00 0.00 PROA H ATOM 1528 CA GLY 102 38.622 47.899 41.735 1.00 0.00 PROA C ATOM 1529 HA1 GLY 102 39.552 48.396 41.511 1.00 0.00 PROA H ATOM 1530 HA2 GLY 102 38.163 48.312 42.625 1.00 0.00 PROA H ATOM 1531 C GLY 102 37.716 48.305 40.633 1.00 0.00 PROA C ATOM 1532 O GLY 102 37.165 49.216 40.627 1.00 0.00 PROA O ATOM 1533 N ASN 103 37.395 47.419 39.676 1.00 0.00 PROA N ATOM 1534 HN ASN 103 37.757 46.498 39.767 1.00 0.00 PROA H ATOM 1535 CA ASN 103 37.038 47.754 38.258 1.00 0.00 PROA C ATOM 1536 HA ASN 103 36.832 48.817 38.259 1.00 0.00 PROA H ATOM 1537 CB ASN 103 37.952 47.585 37.311 1.00 0.00 PROA C ATOM 1538 HB1 ASN 103 37.723 47.971 36.285 1.00 0.00 PROA H ATOM 1539 HB2 ASN 103 38.320 46.537 37.212 1.00 0.00 PROA H ATOM 1540 CG ASN 103 39.415 48.471 37.578 1.00 0.00 PROA C ATOM 1541 OD1 ASN 103 39.266 49.466 37.212 1.00 0.00 PROA O ATOM 1542 ND2 ASN 103 40.462 48.175 37.598 1.00 0.00 PROA N ATOM 1543 HD21 ASN 103 41.144 48.904 37.603 1.00 0.00 PROA H ATOM 1544 HD22 ASN 103 40.717 47.228 37.770 1.00 0.00 PROA H ATOM 1545 C ASN 103 35.813 47.196 37.649 1.00 0.00 PROA C ATOM 1546 O ASN 103 35.456 47.218 36.594 1.00 0.00 PROA O ATOM 1547 N GLY 104 35.347 46.520 38.683 1.00 0.00 PROA N ATOM 1548 HN GLY 104 35.764 46.641 39.581 1.00 0.00 PROA H ATOM 1549 CA GLY 104 34.233 45.645 38.526 1.00 0.00 PROA C ATOM 1550 HA1 GLY 104 33.382 46.274 38.347 1.00 0.00 PROA H ATOM 1551 HA2 GLY 104 34.153 45.047 39.423 1.00 0.00 PROA H ATOM 1552 C GLY 104 34.423 44.724 37.392 1.00 0.00 PROA C ATOM 1553 O GLY 104 35.697 44.235 37.270 1.00 0.00 PROA O ATOM 1554 N MET 105 33.213 44.605 36.761 1.00 0.00 PROA N ATOM 1555 HN MET 105 32.366 45.064 37.032 1.00 0.00 PROA H ATOM 1556 CA MET 105 33.209 43.580 35.731 1.00 0.00 PROA C ATOM 1557 HA MET 105 33.874 42.777 36.007 1.00 0.00 PROA H ATOM 1558 CB MET 105 31.907 43.093 35.396 1.00 0.00 PROA C ATOM 1559 HB1 MET 105 31.975 42.375 34.536 1.00 0.00 PROA H ATOM 1560 HB2 MET 105 31.185 43.898 35.149 1.00 0.00 PROA H ATOM 1561 CG MET 105 31.672 42.586 36.687 1.00 0.00 PROA C ATOM 1562 HG1 MET 105 31.282 43.303 37.439 1.00 0.00 PROA H ATOM 1563 HG2 MET 105 32.460 41.958 37.166 1.00 0.00 PROA H ATOM 1564 SD MET 105 30.303 41.456 36.261 1.00 0.00 PROA S ATOM 1565 CE MET 105 30.844 40.018 35.193 1.00 0.00 PROA C ATOM 1566 HE1 MET 105 31.732 39.533 35.647 1.00 0.00 PROA H ATOM 1567 HE2 MET 105 31.125 40.356 34.173 1.00 0.00 PROA H ATOM 1568 HE3 MET 105 30.032 39.266 35.093 1.00 0.00 PROA H ATOM 1569 C MET 105 33.794 44.214 34.459 1.00 0.00 PROA C ATOM 1570 O MET 105 33.867 43.680 33.284 1.00 0.00 PROA O ATOM 1571 N ASN 106 34.380 45.412 34.587 1.00 0.00 PROA N ATOM 1572 HN ASN 106 34.395 45.828 35.497 1.00 0.00 PROA H ATOM 1573 CA ASN 106 35.043 46.337 33.440 1.00 0.00 PROA C ATOM 1574 HA ASN 106 34.447 46.267 32.539 1.00 0.00 PROA H ATOM 1575 CB ASN 106 35.134 47.696 34.089 1.00 0.00 PROA C ATOM 1576 HB1 ASN 106 35.714 48.303 33.376 1.00 0.00 PROA H ATOM 1577 HB2 ASN 106 35.766 48.154 34.812 1.00 0.00 PROA H ATOM 1578 CG ASN 106 33.763 48.495 33.515 1.00 0.00 PROA C ATOM 1579 OD1 ASN 106 33.395 48.754 32.518 1.00 0.00 PROA O ATOM 1580 ND2 ASN 106 33.407 49.101 34.539 1.00 0.00 PROA N ATOM 1581 HD21 ASN 106 33.863 48.906 35.411 1.00 0.00 PROA H ATOM 1582 HD22 ASN 106 32.763 49.858 34.515 1.00 0.00 PROA H ATOM 1583 C ASN 106 36.350 45.666 33.189 1.00 0.00 PROA C ATOM 1584 O ASN 106 36.817 45.814 32.111 1.00 0.00 PROA O ATOM 1585 N ALA 107 37.091 45.061 34.089 1.00 0.00 PROA N ATOM 1586 HN ALA 107 36.731 45.164 35.017 1.00 0.00 PROA H ATOM 1587 CA ALA 107 38.119 44.180 34.138 1.00 0.00 PROA C ATOM 1588 HA ALA 107 38.956 44.721 33.720 1.00 0.00 PROA H ATOM 1589 CB ALA 107 38.761 43.360 35.568 1.00 0.00 PROA C ATOM 1590 HB1 ALA 107 37.939 42.771 36.008 1.00 0.00 PROA H ATOM 1591 HB2 ALA 107 39.101 44.133 36.279 1.00 0.00 PROA H ATOM 1592 HB3 ALA 107 39.597 42.709 35.263 1.00 0.00 PROA H ATOM 1593 C ALA 107 37.876 43.027 33.178 1.00 0.00 PROA C ATOM 1594 O ALA 107 38.932 42.361 32.555 1.00 0.00 PROA O ATOM 1595 N TRP 108 36.938 42.657 32.618 1.00 0.00 PROA N ATOM 1596 HN TRP 108 36.124 43.042 33.042 1.00 0.00 PROA H ATOM 1597 CA TRP 108 36.450 41.985 31.595 1.00 0.00 PROA C ATOM 1598 HA TRP 108 37.283 41.364 31.286 1.00 0.00 PROA H ATOM 1599 CB TRP 108 35.358 40.854 31.732 1.00 0.00 PROA C ATOM 1600 HB1 TRP 108 35.233 40.311 30.766 1.00 0.00 PROA H ATOM 1601 HB2 TRP 108 34.380 41.303 32.002 1.00 0.00 PROA H ATOM 1602 CG TRP 108 35.660 39.869 32.815 1.00 0.00 PROA C ATOM 1603 CD1 TRP 108 36.232 38.683 32.433 1.00 0.00 PROA C ATOM 1604 HD1 TRP 108 36.451 38.339 31.438 1.00 0.00 PROA H ATOM 1605 NE1 TRP 108 36.221 37.753 33.768 1.00 0.00 PROA N ATOM 1606 HE1 TRP 108 36.439 36.793 33.740 1.00 0.00 PROA H ATOM 1607 CE2 TRP 108 35.927 38.411 34.670 1.00 0.00 PROA C ATOM 1608 CD2 TRP 108 35.528 39.626 34.340 1.00 0.00 PROA C ATOM 1609 CE3 TRP 108 35.002 40.528 35.121 1.00 0.00 PROA C ATOM 1610 HE3 TRP 108 34.684 41.489 34.745 1.00 0.00 PROA H ATOM 1611 CZ3 TRP 108 35.006 40.151 36.341 1.00 0.00 PROA C ATOM 1612 HZ3 TRP 108 34.690 40.854 37.112 1.00 0.00 PROA H ATOM 1613 CZ2 TRP 108 35.701 38.081 36.040 1.00 0.00 PROA C ATOM 1614 HZ2 TRP 108 35.955 37.071 36.364 1.00 0.00 PROA H ATOM 1615 CH2 TRP 108 35.430 38.908 36.777 1.00 0.00 PROA C ATOM 1616 HH2 TRP 108 35.377 38.718 37.856 1.00 0.00 PROA H ATOM 1617 C TRP 108 36.021 42.733 30.173 1.00 0.00 PROA C ATOM 1618 O TRP 108 34.836 42.719 30.234 1.00 0.00 PROA O ATOM 1619 N VAL 109 37.128 42.884 29.527 1.00 0.00 PROA N ATOM 1620 HN VAL 109 38.025 42.642 29.894 1.00 0.00 PROA H ATOM 1621 CA VAL 109 36.977 43.530 28.168 1.00 0.00 PROA C ATOM 1622 HA VAL 109 36.963 44.602 28.308 1.00 0.00 PROA H ATOM 1623 CB VAL 109 37.993 43.179 27.232 1.00 0.00 PROA C ATOM 1624 HB VAL 109 39.007 43.299 27.667 1.00 0.00 PROA H ATOM 1625 CG1 VAL 109 37.815 41.512 26.780 1.00 0.00 PROA C ATOM 1626 HG11 VAL 109 37.067 41.394 25.981 1.00 0.00 PROA H ATOM 1627 HG12 VAL 109 37.594 40.891 27.666 1.00 0.00 PROA H ATOM 1628 HG13 VAL 109 38.787 41.186 26.366 1.00 0.00 PROA H ATOM 1629 CG2 VAL 109 37.868 43.912 25.886 1.00 0.00 PROA C ATOM 1630 HG21 VAL 109 37.875 45.012 26.023 1.00 0.00 PROA H ATOM 1631 HG22 VAL 109 36.932 43.644 25.352 1.00 0.00 PROA H ATOM 1632 HG23 VAL 109 38.696 43.642 25.201 1.00 0.00 PROA H ATOM 1633 C VAL 109 35.560 43.099 27.479 1.00 0.00 PROA C ATOM 1634 O VAL 109 34.658 44.196 27.091 1.00 0.00 PROA O ATOM 1635 N ALA 110 35.151 41.979 27.403 1.00 0.00 PROA N ATOM 1636 HN ALA 110 35.702 41.223 27.767 1.00 0.00 PROA H ATOM 1637 CA ALA 110 33.843 41.544 26.804 1.00 0.00 PROA C ATOM 1638 HA ALA 110 33.812 41.938 25.797 1.00 0.00 PROA H ATOM 1639 CB ALA 110 33.752 39.643 26.704 1.00 0.00 PROA C ATOM 1640 HB1 ALA 110 33.560 39.293 27.728 1.00 0.00 PROA H ATOM 1641 HB2 ALA 110 34.731 39.290 26.356 1.00 0.00 PROA H ATOM 1642 HB3 ALA 110 32.923 39.404 26.031 1.00 0.00 PROA H ATOM 1643 C ALA 110 32.584 41.929 27.454 1.00 0.00 PROA C ATOM 1644 O ALA 110 31.625 42.262 26.823 1.00 0.00 PROA O ATOM 1645 N TRP 111 32.211 41.868 28.685 1.00 0.00 PROA N ATOM 1646 HN TRP 111 32.903 41.468 29.288 1.00 0.00 PROA H ATOM 1647 CA TRP 111 30.876 42.439 29.517 1.00 0.00 PROA C ATOM 1648 HA TRP 111 30.054 41.888 29.114 1.00 0.00 PROA H ATOM 1649 CB TRP 111 31.038 41.888 31.132 1.00 0.00 PROA C ATOM 1650 HB1 TRP 111 32.083 42.073 31.447 1.00 0.00 PROA H ATOM 1651 HB2 TRP 111 30.817 40.804 31.158 1.00 0.00 PROA H ATOM 1652 CG TRP 111 30.121 42.782 31.852 1.00 0.00 PROA C ATOM 1653 CD1 TRP 111 29.073 42.207 32.067 1.00 0.00 PROA C ATOM 1654 HD1 TRP 111 28.688 41.258 31.713 1.00 0.00 PROA H ATOM 1655 NE1 TRP 111 28.447 43.092 33.106 1.00 0.00 PROA N ATOM 1656 HE1 TRP 111 27.497 43.108 33.361 1.00 0.00 PROA H ATOM 1657 CE2 TRP 111 29.229 44.196 33.401 1.00 0.00 PROA C ATOM 1658 CD2 TRP 111 30.462 43.921 32.465 1.00 0.00 PROA C ATOM 1659 CE3 TRP 111 31.277 44.957 32.537 1.00 0.00 PROA C ATOM 1660 HE3 TRP 111 32.124 44.845 31.836 1.00 0.00 PROA H ATOM 1661 CZ3 TRP 111 31.327 45.791 33.194 1.00 0.00 PROA C ATOM 1662 HZ3 TRP 111 32.130 46.519 33.222 1.00 0.00 PROA H ATOM 1663 CZ2 TRP 111 29.285 45.291 33.958 1.00 0.00 PROA C ATOM 1664 HZ2 TRP 111 28.358 45.522 34.503 1.00 0.00 PROA H ATOM 1665 CH2 TRP 111 30.160 46.035 34.184 1.00 0.00 PROA C ATOM 1666 HH2 TRP 111 30.143 46.916 34.814 1.00 0.00 PROA H ATOM 1667 C TRP 111 30.626 43.730 29.046 1.00 0.00 PROA C ATOM 1668 O TRP 111 29.338 44.209 28.733 1.00 0.00 PROA O ATOM 1669 N ARG 112 31.776 44.340 29.250 1.00 0.00 PROA N ATOM 1670 HN ARG 112 32.585 43.813 29.513 1.00 0.00 PROA H ATOM 1671 CA ARG 112 31.953 45.934 29.019 1.00 0.00 PROA C ATOM 1672 HA ARG 112 31.282 46.480 29.662 1.00 0.00 PROA H ATOM 1673 CB ARG 112 33.374 46.264 29.209 1.00 0.00 PROA C ATOM 1674 HB1 ARG 112 34.082 45.860 28.481 1.00 0.00 PROA H ATOM 1675 HB2 ARG 112 33.719 46.044 30.233 1.00 0.00 PROA H ATOM 1676 CG ARG 112 33.363 48.015 28.983 1.00 0.00 PROA C ATOM 1677 HG1 ARG 112 32.795 48.475 29.801 1.00 0.00 PROA H ATOM 1678 HG2 ARG 112 32.924 48.255 28.002 1.00 0.00 PROA H ATOM 1679 CD ARG 112 34.887 48.392 28.997 1.00 0.00 PROA C ATOM 1680 HD1 ARG 112 35.022 49.486 28.839 1.00 0.00 PROA H ATOM 1681 HD2 ARG 112 35.400 47.822 28.188 1.00 0.00 PROA H ATOM 1682 NE ARG 112 35.458 47.987 30.424 1.00 0.00 PROA N ATOM 1683 HE ARG 112 34.898 48.159 31.229 1.00 0.00 PROA H ATOM 1684 CZ ARG 112 36.783 47.961 30.580 1.00 0.00 PROA C ATOM 1685 NH1 ARG 112 37.655 48.121 29.573 1.00 0.00 PROA N ATOM 1686 HH11 ARG 112 37.383 47.978 28.628 1.00 0.00 PROA H ATOM 1687 HH12 ARG 112 38.627 48.029 29.769 1.00 0.00 PROA H ATOM 1688 NH2 ARG 112 37.220 47.755 31.809 1.00 0.00 PROA N ATOM 1689 HH21 ARG 112 36.585 47.202 32.295 1.00 0.00 PROA H ATOM 1690 HH22 ARG 112 38.158 47.410 31.838 1.00 0.00 PROA H ATOM 1691 C ARG 112 31.501 46.067 27.539 1.00 0.00 PROA C ATOM 1692 O ARG 112 30.531 46.853 27.374 1.00 0.00 PROA O ATOM 1693 N ASN 113 32.040 45.686 26.559 1.00 0.00 PROA N ATOM 1694 HN ASN 113 32.862 45.128 26.685 1.00 0.00 PROA H ATOM 1695 CA ASN 113 31.769 46.044 25.124 1.00 0.00 PROA C ATOM 1696 HA ASN 113 31.719 47.120 25.007 1.00 0.00 PROA H ATOM 1697 CB ASN 113 32.843 45.402 24.343 1.00 0.00 PROA C ATOM 1698 HB1 ASN 113 32.577 45.365 23.266 1.00 0.00 PROA H ATOM 1699 HB2 ASN 113 33.054 44.376 24.702 1.00 0.00 PROA H ATOM 1700 CG ASN 113 34.172 46.319 24.414 1.00 0.00 PROA C ATOM 1701 OD1 ASN 113 34.024 47.332 24.727 1.00 0.00 PROA O ATOM 1702 ND2 ASN 113 35.197 45.523 24.284 1.00 0.00 PROA N ATOM 1703 HD21 ASN 113 36.105 45.927 24.314 1.00 0.00 PROA H ATOM 1704 HD22 ASN 113 35.085 44.602 23.920 1.00 0.00 PROA H ATOM 1705 C ASN 113 30.163 45.458 24.804 1.00 0.00 PROA C ATOM 1706 O ASN 113 29.602 46.174 24.042 1.00 0.00 PROA O ATOM 1707 N ARG 114 30.044 44.215 25.142 1.00 0.00 PROA N ATOM 1708 HN ARG 114 30.723 43.753 25.712 1.00 0.00 PROA H ATOM 1709 CA ARG 114 28.729 43.405 24.734 1.00 0.00 PROA C ATOM 1710 HA ARG 114 28.258 43.950 23.926 1.00 0.00 PROA H ATOM 1711 CB ARG 114 29.157 41.957 24.170 1.00 0.00 PROA C ATOM 1712 HB1 ARG 114 28.308 41.673 23.507 1.00 0.00 PROA H ATOM 1713 HB2 ARG 114 29.160 41.228 25.021 1.00 0.00 PROA H ATOM 1714 CG ARG 114 30.394 42.044 23.636 1.00 0.00 PROA C ATOM 1715 HG1 ARG 114 31.226 42.069 24.385 1.00 0.00 PROA H ATOM 1716 HG2 ARG 114 30.495 42.969 23.000 1.00 0.00 PROA H ATOM 1717 CD ARG 114 30.669 40.918 22.670 1.00 0.00 PROA C ATOM 1718 HD1 ARG 114 30.878 40.051 23.357 1.00 0.00 PROA H ATOM 1719 HD2 ARG 114 31.602 41.186 22.107 1.00 0.00 PROA H ATOM 1720 NE ARG 114 29.570 40.578 21.721 1.00 0.00 PROA N ATOM 1721 HE ARG 114 28.631 40.842 21.890 1.00 0.00 PROA H ATOM 1722 CZ ARG 114 29.793 39.494 21.135 1.00 0.00 PROA C ATOM 1723 NH1 ARG 114 31.090 38.862 21.213 1.00 0.00 PROA N ATOM 1724 HH11 ARG 114 31.727 39.054 21.963 1.00 0.00 PROA H ATOM 1725 HH12 ARG 114 31.256 38.035 20.679 1.00 0.00 PROA H ATOM 1726 NH2 ARG 114 28.540 39.264 20.649 1.00 0.00 PROA N ATOM 1727 HH21 ARG 114 27.952 40.045 20.466 1.00 0.00 PROA H ATOM 1728 HH22 ARG 114 28.417 38.451 20.093 1.00 0.00 PROA H ATOM 1729 C ARG 114 27.612 43.178 25.801 1.00 0.00 PROA C ATOM 1730 O ARG 114 26.724 42.868 25.361 1.00 0.00 PROA O ATOM 1731 N CYS 115 27.777 43.613 27.090 1.00 0.00 PROA N ATOM 1732 HN CYS 115 28.612 44.057 27.411 1.00 0.00 PROA H ATOM 1733 CA CYS 115 26.756 43.060 28.175 1.00 0.00 PROA C ATOM 1734 HA CYS 115 25.848 42.725 27.692 1.00 0.00 PROA H ATOM 1735 CB CYS 115 27.084 42.277 29.179 1.00 0.00 PROA C ATOM 1736 HB1 CYS 115 26.193 42.061 29.837 1.00 0.00 PROA H ATOM 1737 HB2 CYS 115 27.846 42.710 29.885 1.00 0.00 PROA H ATOM 1738 SG CYS 115 27.899 40.494 28.954 1.00 0.00 PROA S ATOM 1739 HG1 CYS 115 28.944 40.900 28.246 1.00 0.00 PROA H ATOM 1740 C CYS 115 26.458 44.328 28.943 1.00 0.00 PROA C ATOM 1741 O CYS 115 25.574 44.712 29.218 1.00 0.00 PROA O ATOM 1742 N LYS 116 27.408 45.333 29.210 1.00 0.00 PROA N ATOM 1743 HN LYS 116 28.315 45.203 28.830 1.00 0.00 PROA H ATOM 1744 CA LYS 116 27.324 46.531 29.985 1.00 0.00 PROA C ATOM 1745 HA LYS 116 26.949 46.215 30.948 1.00 0.00 PROA H ATOM 1746 CB LYS 116 28.639 47.456 30.300 1.00 0.00 PROA C ATOM 1747 HB1 LYS 116 29.065 47.659 29.277 1.00 0.00 PROA H ATOM 1748 HB2 LYS 116 29.298 46.634 30.716 1.00 0.00 PROA H ATOM 1749 CG LYS 116 28.698 48.468 31.035 1.00 0.00 PROA C ATOM 1750 HG1 LYS 116 27.910 48.381 31.857 1.00 0.00 PROA H ATOM 1751 HG2 LYS 116 28.306 49.352 30.429 1.00 0.00 PROA H ATOM 1752 CD LYS 116 29.804 48.738 31.568 1.00 0.00 PROA C ATOM 1753 HD1 LYS 116 30.649 48.423 30.880 1.00 0.00 PROA H ATOM 1754 HD2 LYS 116 29.970 48.126 32.500 1.00 0.00 PROA H ATOM 1755 CE LYS 116 30.122 50.133 31.890 1.00 0.00 PROA C ATOM 1756 HE1 LYS 116 29.403 50.453 32.691 1.00 0.00 PROA H ATOM 1757 HE2 LYS 116 29.859 50.763 30.996 1.00 0.00 PROA H ATOM 1758 NZ LYS 116 31.401 50.566 32.298 1.00 0.00 PROA N ATOM 1759 HZ1 LYS 116 32.071 49.765 32.407 1.00 0.00 PROA H ATOM 1760 HZ2 LYS 116 31.323 51.087 33.201 1.00 0.00 PROA H ATOM 1761 HZ3 LYS 116 31.817 51.228 31.599 1.00 0.00 PROA H ATOM 1762 C LYS 116 26.262 47.574 29.388 1.00 0.00 PROA C ATOM 1763 O LYS 116 26.536 48.064 28.638 1.00 0.00 PROA O ATOM 1764 N GLY 117 25.318 47.707 30.057 1.00 0.00 PROA N ATOM 1765 HN GLY 117 25.229 47.180 30.895 1.00 0.00 PROA H ATOM 1766 CA GLY 117 24.340 48.430 29.721 1.00 0.00 PROA C ATOM 1767 HA1 GLY 117 24.618 49.346 29.203 1.00 0.00 PROA H ATOM 1768 HA2 GLY 117 23.852 48.690 30.650 1.00 0.00 PROA H ATOM 1769 C GLY 117 23.210 47.743 28.859 1.00 0.00 PROA C ATOM 1770 O GLY 117 22.597 48.699 28.206 1.00 0.00 PROA O ATOM 1771 N THR 118 22.965 46.493 28.671 1.00 0.00 PROA N ATOM 1772 HN THR 118 23.574 45.891 29.181 1.00 0.00 PROA H ATOM 1773 CA THR 118 21.965 45.742 27.920 1.00 0.00 PROA C ATOM 1774 HA THR 118 21.383 46.419 27.313 1.00 0.00 PROA H ATOM 1775 CB THR 118 22.677 44.651 27.048 1.00 0.00 PROA C ATOM 1776 HB THR 118 21.972 44.267 26.283 1.00 0.00 PROA H ATOM 1777 OG1 THR 118 23.265 43.608 27.687 1.00 0.00 PROA O ATOM 1778 HG1 THR 118 23.952 44.015 28.235 1.00 0.00 PROA H ATOM 1779 CG2 THR 118 23.930 45.404 26.307 1.00 0.00 PROA C ATOM 1780 HG21 THR 118 24.731 45.672 27.018 1.00 0.00 PROA H ATOM 1781 HG22 THR 118 23.564 46.324 25.813 1.00 0.00 PROA H ATOM 1782 HG23 THR 118 24.356 44.725 25.542 1.00 0.00 PROA H ATOM 1783 C THR 118 21.031 45.098 29.081 1.00 0.00 PROA C ATOM 1784 O THR 118 21.368 45.135 30.114 1.00 0.00 PROA O ATOM 1785 N ASP 119 20.004 44.361 28.816 1.00 0.00 PROA N ATOM 1786 HN ASP 119 19.762 44.129 27.875 1.00 0.00 PROA H ATOM 1787 CA ASP 119 19.068 43.914 29.706 1.00 0.00 PROA C ATOM 1788 HA ASP 119 19.179 44.435 30.649 1.00 0.00 PROA H ATOM 1789 CB ASP 119 17.588 43.762 29.454 1.00 0.00 PROA C ATOM 1790 HB1 ASP 119 17.257 44.823 29.259 1.00 0.00 PROA H ATOM 1791 HB2 ASP 119 17.159 43.572 30.485 1.00 0.00 PROA H ATOM 1792 CG ASP 119 17.075 43.004 28.418 1.00 0.00 PROA C ATOM 1793 OD1 ASP 119 16.485 42.435 28.833 1.00 0.00 PROA O ATOM 1794 OD2 ASP 119 17.420 43.080 27.672 1.00 0.00 PROA O ATOM 1795 C ASP 119 19.556 42.195 29.976 1.00 0.00 PROA C ATOM 1796 O ASP 119 19.181 41.435 29.221 1.00 0.00 PROA O ATOM 1797 N VAL 120 20.703 42.148 30.822 1.00 0.00 PROA N ATOM 1798 HN VAL 120 21.083 43.008 31.162 1.00 0.00 PROA H ATOM 1799 CA VAL 120 21.489 40.909 31.128 1.00 0.00 PROA C ATOM 1800 HA VAL 120 21.871 40.460 30.235 1.00 0.00 PROA H ATOM 1801 CB VAL 120 22.511 41.403 32.172 1.00 0.00 PROA C ATOM 1802 HB VAL 120 23.112 40.560 32.552 1.00 0.00 PROA H ATOM 1803 CG1 VAL 120 23.533 42.401 31.308 1.00 0.00 PROA C ATOM 1804 HG11 VAL 120 23.007 43.309 30.964 1.00 0.00 PROA H ATOM 1805 HG12 VAL 120 23.926 41.850 30.434 1.00 0.00 PROA H ATOM 1806 HG13 VAL 120 24.372 42.705 31.963 1.00 0.00 PROA H ATOM 1807 CG2 VAL 120 21.991 42.253 33.215 1.00 0.00 PROA C ATOM 1808 HG21 VAL 120 21.215 41.749 33.834 1.00 0.00 PROA H ATOM 1809 HG22 VAL 120 21.577 43.224 32.861 1.00 0.00 PROA H ATOM 1810 HG23 VAL 120 22.814 42.530 33.912 1.00 0.00 PROA H ATOM 1811 C VAL 120 20.318 40.147 31.766 1.00 0.00 PROA C ATOM 1812 O VAL 120 20.637 38.952 31.606 1.00 0.00 PROA O ATOM 1813 N GLN 121 19.201 40.347 32.377 1.00 0.00 PROA N ATOM 1814 HN GLN 121 19.011 41.309 32.540 1.00 0.00 PROA H ATOM 1815 CA GLN 121 18.129 39.488 32.849 1.00 0.00 PROA C ATOM 1816 HA GLN 121 18.543 38.962 33.697 1.00 0.00 PROA H ATOM 1817 CB GLN 121 17.008 40.301 33.324 1.00 0.00 PROA C ATOM 1818 HB1 GLN 121 16.264 39.633 33.848 1.00 0.00 PROA H ATOM 1819 HB2 GLN 121 16.472 40.674 32.399 1.00 0.00 PROA H ATOM 1820 CG GLN 121 17.305 41.328 34.081 1.00 0.00 PROA C ATOM 1821 HG1 GLN 121 18.040 42.033 33.602 1.00 0.00 PROA H ATOM 1822 HG2 GLN 121 17.839 40.958 35.001 1.00 0.00 PROA H ATOM 1823 CD GLN 121 16.339 42.382 34.655 1.00 0.00 PROA C ATOM 1824 OE1 GLN 121 16.523 43.081 35.710 1.00 0.00 PROA O ATOM 1825 NE2 GLN 121 15.308 42.477 33.927 1.00 0.00 PROA N ATOM 1826 HE21 GLN 121 14.698 43.264 34.077 1.00 0.00 PROA H ATOM 1827 HE22 GLN 121 15.185 41.898 33.131 1.00 0.00 PROA H ATOM 1828 C GLN 121 17.453 38.331 31.880 1.00 0.00 PROA C ATOM 1829 O GLN 121 17.398 37.585 32.317 1.00 0.00 PROA O ATOM 1830 N ALA 122 17.663 38.751 30.575 1.00 0.00 PROA N ATOM 1831 HN ALA 122 18.041 39.657 30.385 1.00 0.00 PROA H ATOM 1832 CA ALA 122 17.061 38.052 29.376 1.00 0.00 PROA C ATOM 1833 HA ALA 122 16.831 37.164 29.917 1.00 0.00 PROA H ATOM 1834 CB ALA 122 17.186 38.563 27.995 1.00 0.00 PROA C ATOM 1835 HB1 ALA 122 18.274 38.456 27.662 1.00 0.00 PROA H ATOM 1836 HB2 ALA 122 17.981 39.430 28.218 1.00 0.00 PROA H ATOM 1837 HB3 ALA 122 17.425 37.666 27.241 1.00 0.00 PROA H ATOM 1838 C ALA 122 18.018 36.612 29.155 1.00 0.00 PROA C ATOM 1839 O ALA 122 17.703 35.891 28.870 1.00 0.00 PROA O ATOM 1840 N TRP 123 19.125 36.799 29.867 1.00 0.00 PROA N ATOM 1841 HN TRP 123 19.369 37.688 30.258 1.00 0.00 PROA H ATOM 1842 CA TRP 123 20.123 35.572 30.002 1.00 0.00 PROA C ATOM 1843 HA TRP 123 20.123 35.124 29.018 1.00 0.00 PROA H ATOM 1844 CB TRP 123 21.696 36.008 30.137 1.00 0.00 PROA C ATOM 1845 HB1 TRP 123 22.331 35.111 30.231 1.00 0.00 PROA H ATOM 1846 HB2 TRP 123 21.800 36.613 31.060 1.00 0.00 PROA H ATOM 1847 CG TRP 123 22.139 36.941 28.812 1.00 0.00 PROA C ATOM 1848 CD1 TRP 123 22.340 38.062 28.464 1.00 0.00 PROA C ATOM 1849 HD1 TRP 123 22.211 38.941 29.099 1.00 0.00 PROA H ATOM 1850 NE1 TRP 123 22.691 38.067 27.305 1.00 0.00 PROA N ATOM 1851 HE1 TRP 123 22.964 38.831 26.739 1.00 0.00 PROA H ATOM 1852 CE2 TRP 123 22.704 36.972 26.888 1.00 0.00 PROA C ATOM 1853 CD2 TRP 123 22.337 36.084 27.848 1.00 0.00 PROA C ATOM 1854 CE3 TRP 123 22.324 34.786 27.510 1.00 0.00 PROA C ATOM 1855 HE3 TRP 123 22.092 34.046 28.261 1.00 0.00 PROA H ATOM 1856 CZ3 TRP 123 22.743 34.346 26.270 1.00 0.00 PROA C ATOM 1857 HZ3 TRP 123 22.743 33.268 26.087 1.00 0.00 PROA H ATOM 1858 CZ2 TRP 123 23.078 36.505 25.613 1.00 0.00 PROA C ATOM 1859 HZ2 TRP 123 23.373 37.177 24.825 1.00 0.00 PROA H ATOM 1860 CH2 TRP 123 23.023 35.097 25.420 1.00 0.00 PROA C ATOM 1861 HH2 TRP 123 23.297 34.744 24.423 1.00 0.00 PROA H ATOM 1862 C TRP 123 19.552 34.715 30.624 1.00 0.00 PROA C ATOM 1863 O TRP 123 19.931 33.228 30.619 1.00 0.00 PROA O ATOM 1864 N ILE 124 18.892 34.910 32.028 1.00 0.00 PROA N ATOM 1865 HN ILE 124 18.829 35.883 32.251 1.00 0.00 PROA H ATOM 1866 CA ILE 124 18.319 34.155 33.151 1.00 0.00 PROA C ATOM 1867 HA ILE 124 18.714 33.158 33.027 1.00 0.00 PROA H ATOM 1868 CB ILE 124 18.869 34.567 34.414 1.00 0.00 PROA C ATOM 1869 HB ILE 124 18.293 33.892 35.133 1.00 0.00 PROA H ATOM 1870 CG2 ILE 124 20.186 34.206 34.828 1.00 0.00 PROA C ATOM 1871 HG21 ILE 124 20.949 34.905 34.410 1.00 0.00 PROA H ATOM 1872 HG22 ILE 124 20.453 33.186 34.464 1.00 0.00 PROA H ATOM 1873 HG23 ILE 124 20.316 34.186 35.931 1.00 0.00 PROA H ATOM 1874 CG1 ILE 124 18.241 35.962 34.820 1.00 0.00 PROA C ATOM 1875 HG11 ILE 124 17.124 35.932 34.755 1.00 0.00 PROA H ATOM 1876 HG12 ILE 124 18.630 36.730 34.110 1.00 0.00 PROA H ATOM 1877 CD ILE 124 18.697 36.172 36.022 1.00 0.00 PROA C ATOM 1878 HD1 ILE 124 19.800 36.360 36.077 1.00 0.00 PROA H ATOM 1879 HD2 ILE 124 18.460 35.357 36.755 1.00 0.00 PROA H ATOM 1880 HD3 ILE 124 18.256 37.096 36.477 1.00 0.00 PROA H ATOM 1881 C ILE 124 16.944 33.967 32.903 1.00 0.00 PROA C ATOM 1882 O ILE 124 16.278 33.241 33.779 1.00 0.00 PROA O ATOM 1883 N ARG 125 16.202 34.459 32.096 1.00 0.00 PROA N ATOM 1884 HN ARG 125 16.587 35.145 31.487 1.00 0.00 PROA H ATOM 1885 CA ARG 125 14.910 34.148 31.840 1.00 0.00 PROA C ATOM 1886 HA ARG 125 14.362 34.343 32.754 1.00 0.00 PROA H ATOM 1887 CB ARG 125 14.262 35.153 30.730 1.00 0.00 PROA C ATOM 1888 HB1 ARG 125 13.161 35.106 30.736 1.00 0.00 PROA H ATOM 1889 HB2 ARG 125 14.639 34.840 29.736 1.00 0.00 PROA H ATOM 1890 CG ARG 125 14.766 36.719 30.964 1.00 0.00 PROA C ATOM 1891 HG1 ARG 125 15.699 36.645 31.461 1.00 0.00 PROA H ATOM 1892 HG2 ARG 125 14.048 37.208 31.654 1.00 0.00 PROA H ATOM 1893 CD ARG 125 14.840 37.432 29.627 1.00 0.00 PROA C ATOM 1894 HD1 ARG 125 13.764 37.487 29.320 1.00 0.00 PROA H ATOM 1895 HD2 ARG 125 15.243 36.850 28.765 1.00 0.00 PROA H ATOM 1896 NE ARG 125 15.193 38.850 29.802 1.00 0.00 PROA N ATOM 1897 HE ARG 125 14.668 39.412 30.436 1.00 0.00 PROA H ATOM 1898 CZ ARG 125 15.667 39.624 28.801 1.00 0.00 PROA C ATOM 1899 NH1 ARG 125 15.994 39.092 27.615 1.00 0.00 PROA N ATOM 1900 HH11 ARG 125 15.608 38.206 27.364 1.00 0.00 PROA H ATOM 1901 HH12 ARG 125 16.297 39.713 26.901 1.00 0.00 PROA H ATOM 1902 NH2 ARG 125 15.797 40.923 29.004 1.00 0.00 PROA N ATOM 1903 HH21 ARG 125 15.983 41.462 29.804 1.00 0.00 PROA H ATOM 1904 HH22 ARG 125 16.234 41.319 28.204 1.00 0.00 PROA H ATOM 1905 C ARG 125 14.588 32.722 31.432 1.00 0.00 PROA C ATOM 1906 O ARG 125 14.985 32.328 30.764 1.00 0.00 PROA O ATOM 1907 N GLY 126 13.747 32.145 32.070 1.00 0.00 PROA N ATOM 1908 HN GLY 126 13.312 32.568 32.861 1.00 0.00 PROA H ATOM 1909 CA GLY 126 13.257 30.818 31.689 1.00 0.00 PROA C ATOM 1910 HA1 GLY 126 13.536 30.511 30.689 1.00 0.00 PROA H ATOM 1911 HA2 GLY 126 12.192 30.785 31.865 1.00 0.00 PROA H ATOM 1912 C GLY 126 13.946 29.809 32.747 1.00 0.00 PROA C ATOM 1913 O GLY 126 13.620 29.012 32.883 1.00 0.00 PROA O ATOM 1914 N CYS 127 14.982 30.410 33.454 1.00 0.00 PROA N ATOM 1915 HN CYS 127 15.242 31.361 33.313 1.00 0.00 PROA H ATOM 1916 CA CYS 127 15.552 29.674 34.566 1.00 0.00 PROA C ATOM 1917 HA CYS 127 15.620 28.676 34.151 1.00 0.00 PROA H ATOM 1918 CB CYS 127 17.162 29.961 34.657 1.00 0.00 PROA C ATOM 1919 HB1 CYS 127 17.635 29.187 35.298 1.00 0.00 PROA H ATOM 1920 HB2 CYS 127 17.202 30.926 35.195 1.00 0.00 PROA H ATOM 1921 SG CYS 127 18.155 30.181 33.065 1.00 0.00 PROA S ATOM 1922 HG1 CYS 127 17.357 31.122 32.582 1.00 0.00 PROA H ATOM 1923 C CYS 127 15.023 29.360 35.859 1.00 0.00 PROA C ATOM 1924 O CYS 127 14.271 30.239 36.374 1.00 0.00 PROA O ATOM 1925 N ARG 128 14.937 28.382 36.289 1.00 0.00 PROA N ATOM 1926 HN ARG 128 15.313 27.609 35.778 1.00 0.00 PROA H ATOM 1927 CA ARG 128 14.471 27.922 37.730 1.00 0.00 PROA C ATOM 1928 HA ARG 128 13.642 28.571 37.978 1.00 0.00 PROA H ATOM 1929 CB ARG 128 13.889 26.755 37.688 1.00 0.00 PROA C ATOM 1930 HB1 ARG 128 13.342 26.515 38.636 1.00 0.00 PROA H ATOM 1931 HB2 ARG 128 14.723 25.994 37.667 1.00 0.00 PROA H ATOM 1932 CG ARG 128 12.962 26.156 36.482 1.00 0.00 PROA C ATOM 1933 HG1 ARG 128 13.225 26.695 35.546 1.00 0.00 PROA H ATOM 1934 HG2 ARG 128 11.908 26.414 36.712 1.00 0.00 PROA H ATOM 1935 CD ARG 128 13.088 24.676 36.177 1.00 0.00 PROA C ATOM 1936 HD1 ARG 128 12.805 24.107 37.093 1.00 0.00 PROA H ATOM 1937 HD2 ARG 128 14.143 24.438 35.913 1.00 0.00 PROA H ATOM 1938 NE ARG 128 12.181 24.281 35.088 1.00 0.00 PROA N ATOM 1939 HE ARG 128 11.230 24.591 35.158 1.00 0.00 PROA H ATOM 1940 CZ ARG 128 12.325 23.139 34.381 1.00 0.00 PROA C ATOM 1941 NH1 ARG 128 13.412 22.369 34.531 1.00 0.00 PROA N ATOM 1942 HH11 ARG 128 13.745 22.301 35.477 1.00 0.00 PROA H ATOM 1943 HH12 ARG 128 13.505 21.591 33.922 1.00 0.00 PROA H ATOM 1944 NH2 ARG 128 11.371 22.784 33.540 1.00 0.00 PROA N ATOM 1945 HH21 ARG 128 10.549 23.339 33.514 1.00 0.00 PROA H ATOM 1946 HH22 ARG 128 11.286 21.808 33.299 1.00 0.00 PROA H ATOM 1947 C ARG 128 15.530 28.381 38.637 1.00 0.00 PROA C ATOM 1948 O ARG 128 16.489 27.615 38.452 1.00 0.00 PROA O ATOM 1949 N LEU 129 15.560 29.275 39.273 1.00 0.00 PROA N ATOM 1950 HN LEU 129 14.799 29.918 39.279 1.00 0.00 PROA H ATOM 1951 CA LEU 129 16.660 29.729 40.128 1.00 0.00 PROA C ATOM 1952 HA LEU 129 17.438 28.985 40.233 1.00 0.00 PROA H ATOM 1953 CB LEU 129 17.209 31.174 39.528 1.00 0.00 PROA C ATOM 1954 HB1 LEU 129 18.075 31.501 40.132 1.00 0.00 PROA H ATOM 1955 HB2 LEU 129 16.391 31.914 39.635 1.00 0.00 PROA H ATOM 1956 CG LEU 129 17.570 31.026 38.133 1.00 0.00 PROA C ATOM 1957 HG LEU 129 16.770 30.554 37.533 1.00 0.00 PROA H ATOM 1958 CD1 LEU 129 18.122 32.057 37.397 1.00 0.00 PROA C ATOM 1959 HD11 LEU 129 18.923 32.579 37.975 1.00 0.00 PROA H ATOM 1960 HD12 LEU 129 17.359 32.829 37.133 1.00 0.00 PROA H ATOM 1961 HD13 LEU 129 18.600 31.725 36.447 1.00 0.00 PROA H ATOM 1962 CD2 LEU 129 18.992 29.854 38.013 1.00 0.00 PROA C ATOM 1963 HD21 LEU 129 18.685 28.907 38.474 1.00 0.00 PROA H ATOM 1964 HD22 LEU 129 19.835 30.316 38.545 1.00 0.00 PROA H ATOM 1965 HD23 LEU 129 19.217 29.708 36.947 1.00 0.00 PROA H ATOM 1966 C LEU 129 16.067 30.007 41.495 1.00 0.00 PROA C ATOM 1967 OT1 LEU 129 14.832 29.817 41.654 1.00 0.00 PROA O ATOM 1968 OT2 LEU 129 16.840 30.414 42.403 1.00 0.00 PROA O TER ATOM 1969 SOD SOD 1 12.652 14.314 31.598 1.00 0.00 IONSNa ATOM 1970 SOD SOD 2 40.586 26.572 3.293 1.00 0.00 IONSNa ATOM 1971 SOD SOD 3 15.117 27.631 57.716 1.00 0.00 IONSNa ATOM 1972 SOD SOD 4 11.556 25.108 45.649 1.00 0.00 IONSNa ATOM 1973 SOD SOD 5 0.350 59.015 2.192 1.00 0.00 IONSNa ATOM 1974 SOD SOD 6 58.091 53.528 33.033 1.00 0.00 IONSNa ATOM 1975 SOD SOD 7 2.267 60.752 38.316 1.00 0.00 IONSNa ATOM 1976 SOD SOD 8 23.050 36.960 2.682 1.00 0.00 IONSNa ATOM 1977 SOD SOD 9 48.924 32.717 52.099 1.00 0.00 IONSNa ATOM 1978 SOD SOD 10 16.736 1.225 4.320 1.00 0.00 IONSNa ATOM 1979 SOD SOD 11 49.130 3.712 7.274 1.00 0.00 IONSNa ATOM 1980 SOD SOD 12 34.196 34.130 65.291 1.00 0.00 IONSNa ATOM 1981 SOD SOD 13 16.519 56.920 63.180 1.00 0.00 IONSNa ATOM 1982 SOD SOD 14 64.655 53.765 39.285 1.00 0.00 IONSNa ATOM 1983 SOD SOD 15 54.129 49.751 2.190 1.00 0.00 IONSNa ATOM 1984 SOD SOD 16 44.820 45.937 24.166 1.00 0.00 IONSNa ATOM 1985 SOD SOD 17 43.963 60.472 29.839 1.00 0.00 IONSNa ATOM 1986 SOD SOD 18 46.024 64.999 57.367 1.00 0.00 IONSNa ATOM 1987 SOD SOD 19 16.082 9.941 21.734 1.00 0.00 IONSNa ATOM 1988 SOD SOD 20 43.801 48.450 14.374 1.00 0.00 IONSNa ATOM 1989 SOD SOD 21 68.507 47.202 49.245 1.00 0.00 IONSNa ATOM 1990 SOD SOD 22 35.243 49.635 51.042 1.00 0.00 IONSNa ATOM 1991 SOD SOD 23 10.326 4.470 11.611 1.00 0.00 IONSNa ATOM 1992 SOD SOD 24 60.599 1.619 4.271 1.00 0.00 IONSNa ATOM 1993 SOD SOD 25 60.199 10.962 25.572 1.00 0.00 IONSNa ATOM 1994 SOD SOD 26 49.793 40.753 65.209 1.00 0.00 IONSNa ATOM 1995 SOD SOD 27 34.932 31.677 12.285 1.00 0.00 IONSNa ATOM 1996 CLA CLA 28 31.708 43.242 53.452 1.00 0.00 IONSCl ATOM 1997 CLA CLA 29 42.839 11.257 31.669 1.00 0.00 IONSCl ATOM 1998 CLA CLA 30 5.493 26.377 42.111 1.00 0.00 IONSCl ATOM 1999 CLA CLA 31 28.220 53.422 40.981 1.00 0.00 IONSCl ATOM 2000 CLA CLA 32 18.817 7.306 9.183 1.00 0.00 IONSCl ATOM 2001 CLA CLA 33 62.810 9.111 5.698 1.00 0.00 IONSCl ATOM 2002 CLA CLA 34 44.313 39.078 5.288 1.00 0.00 IONSCl ATOM 2003 CLA CLA 35 65.396 24.249 8.600 1.00 0.00 IONSCl ATOM 2004 CLA CLA 36 37.501 24.473 14.612 1.00 0.00 IONSCl ATOM 2005 CLA CLA 37 38.434 43.515 18.834 1.00 0.00 IONSCl ATOM 2006 CLA CLA 38 57.487 18.892 1.743 1.00 0.00 IONSCl ATOM 2007 CLA CLA 39 40.396 57.268 29.975 1.00 0.00 IONSCl ATOM 2008 CLA CLA 40 24.964 -0.059 47.444 1.00 0.00 IONSCl ATOM 2009 CLA CLA 41 43.728 23.214 50.722 1.00 0.00 IONSCl ATOM 2010 CLA CLA 42 8.280 7.948 11.224 1.00 0.00 IONSCl ATOM 2011 CLA CLA 43 54.211 37.952 56.606 1.00 0.00 IONSCl ATOM 2012 CLA CLA 44 1.236 55.142 53.548 1.00 0.00 IONSCl ATOM 2013 CLA CLA 45 56.441 42.531 4.074 1.00 0.00 IONSCl ATOM 2014 CLA CLA 46 58.800 67.179 24.563 1.00 0.00 IONSCl ATOM 2015 CLA CLA 47 46.201 59.603 60.745 1.00 0.00 IONSCl ATOM 2016 CLA CLA 48 41.043 43.804 55.190 1.00 0.00 IONSCl ATOM 2017 CLA CLA 49 63.477 55.306 30.729 1.00 0.00 IONSCl ATOM 2018 CLA CLA 50 45.469 54.707 27.233 1.00 0.00 IONSCl ATOM 2019 CLA CLA 51 25.147 25.579 22.709 1.00 0.00 IONSCl ATOM 2020 CLA CLA 52 11.963 5.156 7.498 1.00 0.00 IONSCl ATOM 2021 CLA CLA 53 41.689 65.023 21.067 1.00 0.00 IONSCl ATOM 2022 CLA CLA 54 19.063 9.400 60.803 1.00 0.00 IONSCl ATOM 2023 CLA CLA 55 62.278 41.884 38.297 1.00 0.00 IONSCl ATOM 2024 CLA CLA 56 33.481 49.114 46.834 1.00 0.00 IONSCl ATOM 2025 CLA CLA 57 42.516 32.108 61.465 1.00 0.00 IONSCl ATOM 2026 CLA CLA 58 30.995 10.554 64.073 1.00 0.00 IONSCl ATOM 2027 CLA CLA 59 9.929 64.597 40.900 1.00 0.00 IONSCl ATOM 2028 CLA CLA 60 10.616 7.307 57.627 1.00 0.00 IONSCl ATOM 2029 CLA CLA 61 40.788 22.773 23.528 1.00 0.00 IONSCl ATOM 2030 CLA CLA 62 66.945 64.881 11.971 1.00 0.00 IONSCl TER ATOM 2031 OH2 TIP3 1 12.002 10.161 7.180 1.00 0.00 SOLV O ATOM 2032 H1 TIP3 1 11.840 11.107 6.971 1.00 0.00 SOLV H ATOM 2033 H2 TIP3 1 11.406 9.758 6.511 1.00 0.00 SOLV H ATOM 2034 OH2 TIP3 2 11.025 9.412 10.575 1.00 0.00 SOLV O ATOM 2035 H1 TIP3 2 10.173 8.960 10.768 1.00 0.00 SOLV H ATOM 2036 H2 TIP3 2 11.114 9.284 9.622 1.00 0.00 SOLV H ATOM 2037 OH2 TIP3 3 3.034 8.876 12.074 1.00 0.00 SOLV O ATOM 2038 H1 TIP3 3 3.171 8.040 12.564 1.00 0.00 SOLV H ATOM 2039 H2 TIP3 3 3.826 9.373 12.322 1.00 0.00 SOLV H ATOM 2040 OH2 TIP3 4 14.641 12.516 8.916 1.00 0.00 SOLV O ATOM 2041 H1 TIP3 4 14.109 11.756 9.179 1.00 0.00 SOLV H ATOM 2042 H2 TIP3 4 14.873 12.933 9.762 1.00 0.00 SOLV H ATOM 2043 OH2 TIP3 5 4.313 13.546 10.560 1.00 0.00 SOLV O ATOM 2044 H1 TIP3 5 4.191 12.604 10.304 1.00 0.00 SOLV H ATOM 2045 H2 TIP3 5 5.288 13.551 10.645 1.00 0.00 SOLV H ATOM 2046 OH2 TIP3 6 1.161 7.196 6.024 1.00 0.00 SOLV O ATOM 2047 H1 TIP3 6 1.127 8.149 6.173 1.00 0.00 SOLV H ATOM 2048 H2 TIP3 6 0.222 7.015 5.819 1.00 0.00 SOLV H ATOM 2049 OH2 TIP3 7 2.159 9.364 8.932 1.00 0.00 SOLV O ATOM 2050 H1 TIP3 7 2.318 8.396 8.860 1.00 0.00 SOLV H ATOM 2051 H2 TIP3 7 2.225 9.656 8.017 1.00 0.00 SOLV H ATOM 2052 OH2 TIP3 8 11.932 17.457 9.446 1.00 0.00 SOLV O ATOM 2053 H1 TIP3 8 12.326 16.851 8.784 1.00 0.00 SOLV H ATOM 2054 H2 TIP3 8 11.442 16.834 9.996 1.00 0.00 SOLV H ATOM 2055 OH2 TIP3 9 8.994 11.881 11.176 1.00 0.00 SOLV O ATOM 2056 H1 TIP3 9 9.217 11.044 10.740 1.00 0.00 SOLV H ATOM 2057 H2 TIP3 9 9.847 12.073 11.618 1.00 0.00 SOLV H ATOM 2058 OH2 TIP3 10 18.058 3.310 11.794 1.00 0.00 SOLV O ATOM 2059 H1 TIP3 10 18.234 4.037 12.428 1.00 0.00 SOLV H ATOM 2060 H2 TIP3 10 18.690 3.518 11.077 1.00 0.00 SOLV H ATOM 2061 OH2 TIP3 11 5.831 4.287 8.515 1.00 0.00 SOLV O ATOM 2062 H1 TIP3 11 5.948 5.178 8.114 1.00 0.00 SOLV H ATOM 2063 H2 TIP3 11 5.394 3.816 7.778 1.00 0.00 SOLV H ATOM 2064 OH2 TIP3 12 2.383 6.633 9.055 1.00 0.00 SOLV O ATOM 2065 H1 TIP3 12 2.885 6.108 9.707 1.00 0.00 SOLV H ATOM 2066 H2 TIP3 12 2.689 6.208 8.223 1.00 0.00 SOLV H ATOM 2067 OH2 TIP3 13 18.438 4.913 14.016 1.00 0.00 SOLV O ATOM 2068 H1 TIP3 13 17.700 5.531 13.821 1.00 0.00 SOLV H ATOM 2069 H2 TIP3 13 18.566 5.051 14.964 1.00 0.00 SOLV H ATOM 2070 OH2 TIP3 14 4.468 3.163 12.660 1.00 0.00 SOLV O ATOM 2071 H1 TIP3 14 4.181 3.736 11.921 1.00 0.00 SOLV H ATOM 2072 H2 TIP3 14 3.788 3.388 13.329 1.00 0.00 SOLV H ATOM 2073 OH2 TIP3 15 11.452 12.624 6.070 1.00 0.00 SOLV O ATOM 2074 H1 TIP3 15 11.471 12.802 5.119 1.00 0.00 SOLV H ATOM 2075 H2 TIP3 15 11.085 13.465 6.416 1.00 0.00 SOLV H ATOM 2076 OH2 TIP3 16 7.346 11.120 13.414 1.00 0.00 SOLV O ATOM 2077 H1 TIP3 16 6.607 11.757 13.400 1.00 0.00 SOLV H ATOM 2078 H2 TIP3 16 7.685 11.200 12.500 1.00 0.00 SOLV H ATOM 2079 OH2 TIP3 17 15.294 3.479 9.499 1.00 0.00 SOLV O ATOM 2080 H1 TIP3 17 14.403 3.873 9.480 1.00 0.00 SOLV H ATOM 2081 H2 TIP3 17 15.839 4.271 9.677 1.00 0.00 SOLV H ATOM 2082 OH2 TIP3 18 4.003 4.832 10.479 1.00 0.00 SOLV O ATOM 2083 H1 TIP3 18 4.596 5.397 11.033 1.00 0.00 SOLV H ATOM 2084 H2 TIP3 18 4.656 4.564 9.791 1.00 0.00 SOLV H ATOM 2085 OH2 TIP3 19 5.421 13.078 13.758 1.00 0.00 SOLV O ATOM 2086 H1 TIP3 19 5.465 14.027 13.521 1.00 0.00 SOLV H ATOM 2087 H2 TIP3 19 4.511 13.033 14.105 1.00 0.00 SOLV H ATOM 2088 OH2 TIP3 20 1.606 12.370 4.322 1.00 0.00 SOLV O ATOM 2089 H1 TIP3 20 0.936 12.758 3.732 1.00 0.00 SOLV H ATOM 2090 H2 TIP3 20 1.540 12.937 5.102 1.00 0.00 SOLV H ATOM 2091 OH2 TIP3 21 15.121 14.375 11.267 1.00 0.00 SOLV O ATOM 2092 H1 TIP3 21 14.142 14.384 11.372 1.00 0.00 SOLV H ATOM 2093 H2 TIP3 21 15.282 15.289 10.964 1.00 0.00 SOLV H ATOM 2094 OH2 TIP3 22 15.654 2.645 13.031 1.00 0.00 SOLV O ATOM 2095 H1 TIP3 22 14.856 2.966 12.584 1.00 0.00 SOLV H ATOM 2096 H2 TIP3 22 16.356 2.868 12.383 1.00 0.00 SOLV H ATOM 2097 OH2 TIP3 23 8.009 0.950 9.707 1.00 0.00 SOLV O ATOM 2098 H1 TIP3 23 8.457 0.223 10.184 1.00 0.00 SOLV H ATOM 2099 H2 TIP3 23 7.171 1.029 10.211 1.00 0.00 SOLV H ATOM 2100 OH2 TIP3 24 13.165 16.024 7.392 1.00 0.00 SOLV O ATOM 2101 H1 TIP3 24 13.558 15.145 7.162 1.00 0.00 SOLV H ATOM 2102 H2 TIP3 24 13.986 16.569 7.383 1.00 0.00 SOLV H ATOM 2103 OH2 TIP3 25 14.442 13.808 6.496 1.00 0.00 SOLV O ATOM 2104 H1 TIP3 25 14.475 13.117 5.815 1.00 0.00 SOLV H ATOM 2105 H2 TIP3 25 14.585 13.285 7.316 1.00 0.00 SOLV H ATOM 2106 OH2 TIP3 26 16.214 12.311 14.772 1.00 0.00 SOLV O ATOM 2107 H1 TIP3 26 16.147 11.719 13.988 1.00 0.00 SOLV H ATOM 2108 H2 TIP3 26 16.294 13.188 14.339 1.00 0.00 SOLV H ATOM 2109 OH2 TIP3 27 10.663 9.498 4.886 1.00 0.00 SOLV O ATOM 2110 H1 TIP3 27 10.131 10.181 4.449 1.00 0.00 SOLV H ATOM 2111 H2 TIP3 27 11.248 9.180 4.179 1.00 0.00 SOLV H ATOM 2112 OH2 TIP3 28 10.751 7.707 1.228 1.00 0.00 SOLV O ATOM 2113 H1 TIP3 28 11.369 8.047 1.905 1.00 0.00 SOLV H ATOM 2114 H2 TIP3 28 11.306 7.062 0.761 1.00 0.00 SOLV H ATOM 2115 OH2 TIP3 29 17.977 8.815 13.042 1.00 0.00 SOLV O ATOM 2116 H1 TIP3 29 17.281 9.481 12.856 1.00 0.00 SOLV H ATOM 2117 H2 TIP3 29 18.564 8.966 12.266 1.00 0.00 SOLV H ATOM 2118 OH2 TIP3 30 14.072 9.603 5.366 1.00 0.00 SOLV O ATOM 2119 H1 TIP3 30 13.415 9.752 6.082 1.00 0.00 SOLV H ATOM 2120 H2 TIP3 30 14.750 9.097 5.862 1.00 0.00 SOLV H ATOM 2121 OH2 TIP3 31 14.070 7.792 14.779 1.00 0.00 SOLV O ATOM 2122 H1 TIP3 31 13.853 8.376 15.532 1.00 0.00 SOLV H ATOM 2123 H2 TIP3 31 13.804 8.348 14.031 1.00 0.00 SOLV H ATOM 2124 OH2 TIP3 32 5.749 9.917 7.553 1.00 0.00 SOLV O ATOM 2125 H1 TIP3 32 5.418 9.741 6.645 1.00 0.00 SOLV H ATOM 2126 H2 TIP3 32 6.159 9.063 7.761 1.00 0.00 SOLV H ATOM 2127 OH2 TIP3 33 7.084 13.694 10.194 1.00 0.00 SOLV O ATOM 2128 H1 TIP3 33 7.149 13.543 9.236 1.00 0.00 SOLV H ATOM 2129 H2 TIP3 33 7.751 13.062 10.545 1.00 0.00 SOLV H ATOM 2130 OH2 TIP3 34 12.476 14.531 11.807 1.00 0.00 SOLV O ATOM 2131 H1 TIP3 34 12.306 15.146 12.539 1.00 0.00 SOLV H ATOM 2132 H2 TIP3 34 12.024 13.711 12.096 1.00 0.00 SOLV H ATOM 2133 OH2 TIP3 35 7.170 13.365 15.853 1.00 0.00 SOLV O ATOM 2134 H1 TIP3 35 6.501 13.977 16.225 1.00 0.00 SOLV H ATOM 2135 H2 TIP3 35 6.692 13.062 15.051 1.00 0.00 SOLV H ATOM 2136 OH2 TIP3 36 12.731 8.696 3.098 1.00 0.00 SOLV O ATOM 2137 H1 TIP3 36 13.213 9.062 3.874 1.00 0.00 SOLV H ATOM 2138 H2 TIP3 36 13.307 9.035 2.371 1.00 0.00 SOLV H ATOM 2139 OH2 TIP3 37 3.905 9.229 15.292 1.00 0.00 SOLV O ATOM 2140 H1 TIP3 37 4.010 10.056 15.802 1.00 0.00 SOLV H ATOM 2141 H2 TIP3 37 2.939 9.235 15.119 1.00 0.00 SOLV H ATOM 2142 OH2 TIP3 38 10.678 15.198 6.680 1.00 0.00 SOLV O ATOM 2143 H1 TIP3 38 11.561 15.510 6.967 1.00 0.00 SOLV H ATOM 2144 H2 TIP3 38 10.373 15.927 6.125 1.00 0.00 SOLV H ATOM 2145 OH2 TIP3 39 5.156 15.210 16.542 1.00 0.00 SOLV O ATOM 2146 H1 TIP3 39 5.167 15.510 15.609 1.00 0.00 SOLV H ATOM 2147 H2 TIP3 39 4.199 15.107 16.704 1.00 0.00 SOLV H ATOM 2148 OH2 TIP3 40 4.822 9.319 5.007 1.00 0.00 SOLV O ATOM 2149 H1 TIP3 40 4.344 9.914 4.390 1.00 0.00 SOLV H ATOM 2150 H2 TIP3 40 4.433 8.461 4.805 1.00 0.00 SOLV H ATOM 2151 OH2 TIP3 41 17.856 14.958 1.629 1.00 0.00 SOLV O ATOM 2152 H1 TIP3 41 18.249 15.835 1.495 1.00 0.00 SOLV H ATOM 2153 H2 TIP3 41 18.638 14.372 1.588 1.00 0.00 SOLV H ATOM 2154 OH2 TIP3 42 1.454 11.558 14.092 1.00 0.00 SOLV O ATOM 2155 H1 TIP3 42 0.894 11.630 13.304 1.00 0.00 SOLV H ATOM 2156 H2 TIP3 42 1.285 10.634 14.367 1.00 0.00 SOLV H ATOM 2157 OH2 TIP3 43 1.112 14.508 10.007 1.00 0.00 SOLV O ATOM 2158 H1 TIP3 43 1.764 13.835 10.226 1.00 0.00 SOLV H ATOM 2159 H2 TIP3 43 0.399 14.336 10.637 1.00 0.00 SOLV H ATOM 2160 OH2 TIP3 44 18.779 15.214 16.653 1.00 0.00 SOLV O ATOM 2161 H1 TIP3 44 18.639 14.255 16.516 1.00 0.00 SOLV H ATOM 2162 H2 TIP3 44 17.877 15.488 16.924 1.00 0.00 SOLV H ATOM 2163 OH2 TIP3 45 9.591 14.477 15.247 1.00 0.00 SOLV O ATOM 2164 H1 TIP3 45 9.577 15.337 15.718 1.00 0.00 SOLV H ATOM 2165 H2 TIP3 45 8.700 14.129 15.474 1.00 0.00 SOLV H ATOM 2166 OH2 TIP3 46 10.447 18.191 5.087 1.00 0.00 SOLV O ATOM 2167 H1 TIP3 46 10.154 18.297 4.169 1.00 0.00 SOLV H ATOM 2168 H2 TIP3 46 10.138 19.018 5.502 1.00 0.00 SOLV H ATOM 2169 OH2 TIP3 47 3.884 17.058 7.059 1.00 0.00 SOLV O ATOM 2170 H1 TIP3 47 4.013 16.716 7.969 1.00 0.00 SOLV H ATOM 2171 H2 TIP3 47 3.303 16.360 6.684 1.00 0.00 SOLV H ATOM 2172 OH2 TIP3 48 12.951 17.713 2.172 1.00 0.00 SOLV O ATOM 2173 H1 TIP3 48 13.521 17.069 1.698 1.00 0.00 SOLV H ATOM 2174 H2 TIP3 48 13.146 17.486 3.103 1.00 0.00 SOLV H ATOM 2175 OH2 TIP3 49 13.059 17.479 4.911 1.00 0.00 SOLV O ATOM 2176 H1 TIP3 49 12.097 17.644 5.021 1.00 0.00 SOLV H ATOM 2177 H2 TIP3 49 13.210 16.801 5.593 1.00 0.00 SOLV H ATOM 2178 OH2 TIP3 50 15.726 6.422 16.868 1.00 0.00 SOLV O ATOM 2179 H1 TIP3 50 15.121 6.719 16.167 1.00 0.00 SOLV H ATOM 2180 H2 TIP3 50 15.812 5.472 16.643 1.00 0.00 SOLV H ATOM 2181 OH2 TIP3 51 3.039 13.375 15.265 1.00 0.00 SOLV O ATOM 2182 H1 TIP3 51 3.448 12.712 15.860 1.00 0.00 SOLV H ATOM 2183 H2 TIP3 51 2.368 12.811 14.810 1.00 0.00 SOLV H ATOM 2184 OH2 TIP3 52 5.654 1.066 11.256 1.00 0.00 SOLV O ATOM 2185 H1 TIP3 52 4.895 1.037 10.642 1.00 0.00 SOLV H ATOM 2186 H2 TIP3 52 5.326 1.776 11.849 1.00 0.00 SOLV H ATOM 2187 OH2 TIP3 53 10.425 2.006 13.967 1.00 0.00 SOLV O ATOM 2188 H1 TIP3 53 10.883 1.192 14.206 1.00 0.00 SOLV H ATOM 2189 H2 TIP3 53 9.529 1.818 14.294 1.00 0.00 SOLV H ATOM 2190 OH2 TIP3 54 13.508 5.021 15.046 1.00 0.00 SOLV O ATOM 2191 H1 TIP3 54 12.753 4.850 15.648 1.00 0.00 SOLV H ATOM 2192 H2 TIP3 54 13.390 5.956 14.814 1.00 0.00 SOLV H ATOM 2193 OH2 TIP3 55 14.374 9.594 1.098 1.00 0.00 SOLV O ATOM 2194 H1 TIP3 55 14.087 9.819 0.190 1.00 0.00 SOLV H ATOM 2195 H2 TIP3 55 15.312 9.862 1.050 1.00 0.00 SOLV H ATOM 2196 OH2 TIP3 56 10.053 3.524 1.722 1.00 0.00 SOLV O ATOM 2197 H1 TIP3 56 9.550 3.392 2.552 1.00 0.00 SOLV H ATOM 2198 H2 TIP3 56 9.440 3.179 1.069 1.00 0.00 SOLV H ATOM 2199 OH2 TIP3 57 5.724 6.226 12.038 1.00 0.00 SOLV O ATOM 2200 H1 TIP3 57 5.203 6.613 12.761 1.00 0.00 SOLV H ATOM 2201 H2 TIP3 57 6.345 6.946 11.789 1.00 0.00 SOLV H ATOM 2202 OH2 TIP3 58 5.780 6.594 7.043 1.00 0.00 SOLV O ATOM 2203 H1 TIP3 58 4.839 6.347 6.924 1.00 0.00 SOLV H ATOM 2204 H2 TIP3 58 6.154 6.272 6.200 1.00 0.00 SOLV H ATOM 2205 OH2 TIP3 59 10.456 7.274 17.375 1.00 0.00 SOLV O ATOM 2206 H1 TIP3 59 9.949 6.435 17.422 1.00 0.00 SOLV H ATOM 2207 H2 TIP3 59 11.344 6.948 17.602 1.00 0.00 SOLV H ATOM 2208 OH2 TIP3 60 3.510 6.652 13.751 1.00 0.00 SOLV O ATOM 2209 H1 TIP3 60 3.535 7.149 14.582 1.00 0.00 SOLV H ATOM 2210 H2 TIP3 60 3.150 5.787 14.038 1.00 0.00 SOLV H ATOM 2211 OH2 TIP3 61 6.167 3.601 0.134 1.00 0.00 SOLV O ATOM 2212 H1 TIP3 61 6.185 3.575 1.110 1.00 0.00 SOLV H ATOM 2213 H2 TIP3 61 6.193 4.562 -0.034 1.00 0.00 SOLV H ATOM 2214 OH2 TIP3 62 0.604 3.909 7.446 1.00 0.00 SOLV O ATOM 2215 H1 TIP3 62 0.945 3.772 8.356 1.00 0.00 SOLV H ATOM 2216 H2 TIP3 62 0.867 3.085 7.018 1.00 0.00 SOLV H ATOM 2217 OH2 TIP3 63 1.579 4.585 3.509 1.00 0.00 SOLV O ATOM 2218 H1 TIP3 63 2.131 4.245 2.791 1.00 0.00 SOLV H ATOM 2219 H2 TIP3 63 1.590 5.537 3.328 1.00 0.00 SOLV H ATOM 2220 OH2 TIP3 64 8.563 4.088 7.945 1.00 0.00 SOLV O ATOM 2221 H1 TIP3 64 7.680 4.094 8.366 1.00 0.00 SOLV H ATOM 2222 H2 TIP3 64 9.172 3.976 8.691 1.00 0.00 SOLV H ATOM 2223 OH2 TIP3 65 3.323 5.523 6.723 1.00 0.00 SOLV O ATOM 2224 H1 TIP3 65 2.506 5.816 6.263 1.00 0.00 SOLV H ATOM 2225 H2 TIP3 65 3.490 4.631 6.362 1.00 0.00 SOLV H ATOM 2226 OH2 TIP3 66 6.600 5.517 4.662 1.00 0.00 SOLV O ATOM 2227 H1 TIP3 66 7.566 5.594 4.807 1.00 0.00 SOLV H ATOM 2228 H2 TIP3 66 6.423 6.193 3.972 1.00 0.00 SOLV H ATOM 2229 OH2 TIP3 67 12.274 3.268 11.417 1.00 0.00 SOLV O ATOM 2230 H1 TIP3 67 12.131 2.392 11.785 1.00 0.00 SOLV H ATOM 2231 H2 TIP3 67 11.952 3.149 10.501 1.00 0.00 SOLV H ATOM 2232 OH2 TIP3 68 5.685 7.055 2.618 1.00 0.00 SOLV O ATOM 2233 H1 TIP3 68 4.966 6.636 2.125 1.00 0.00 SOLV H ATOM 2234 H2 TIP3 68 6.357 7.201 1.924 1.00 0.00 SOLV H ATOM 2235 OH2 TIP3 69 16.158 18.850 17.687 1.00 0.00 SOLV O ATOM 2236 H1 TIP3 69 16.389 19.268 16.837 1.00 0.00 SOLV H ATOM 2237 H2 TIP3 69 16.933 19.088 18.235 1.00 0.00 SOLV H ATOM 2238 OH2 TIP3 70 3.969 11.505 17.052 1.00 0.00 SOLV O ATOM 2239 H1 TIP3 70 4.583 11.484 17.814 1.00 0.00 SOLV H ATOM 2240 H2 TIP3 70 3.104 11.530 17.511 1.00 0.00 SOLV H ATOM 2241 OH2 TIP3 71 10.378 6.026 9.964 1.00 0.00 SOLV O ATOM 2242 H1 TIP3 71 10.792 6.028 9.086 1.00 0.00 SOLV H ATOM 2243 H2 TIP3 71 9.772 6.772 9.955 1.00 0.00 SOLV H ATOM 2244 OH2 TIP3 72 4.552 2.976 6.385 1.00 0.00 SOLV O ATOM 2245 H1 TIP3 72 4.044 2.194 6.686 1.00 0.00 SOLV H ATOM 2246 H2 TIP3 72 5.385 2.563 6.104 1.00 0.00 SOLV H ATOM 2247 OH2 TIP3 73 8.479 5.297 12.750 1.00 0.00 SOLV O ATOM 2248 H1 TIP3 73 8.179 5.839 11.987 1.00 0.00 SOLV H ATOM 2249 H2 TIP3 73 8.371 5.977 13.429 1.00 0.00 SOLV H ATOM 2250 OH2 TIP3 74 8.694 11.494 3.898 1.00 0.00 SOLV O ATOM 2251 H1 TIP3 74 8.002 10.928 3.495 1.00 0.00 SOLV H ATOM 2252 H2 TIP3 74 8.335 11.588 4.816 1.00 0.00 SOLV H ATOM 2253 OH2 TIP3 75 15.982 10.685 12.564 1.00 0.00 SOLV O ATOM 2254 H1 TIP3 75 16.503 11.257 11.962 1.00 0.00 SOLV H ATOM 2255 H2 TIP3 75 15.210 10.433 12.008 1.00 0.00 SOLV H ATOM 2256 OH2 TIP3 76 12.808 3.848 1.530 1.00 0.00 SOLV O ATOM 2257 H1 TIP3 76 11.844 3.788 1.722 1.00 0.00 SOLV H ATOM 2258 H2 TIP3 76 13.072 4.579 2.127 1.00 0.00 SOLV H ATOM 2259 OH2 TIP3 77 10.627 11.834 15.148 1.00 0.00 SOLV O ATOM 2260 H1 TIP3 77 10.063 11.179 15.571 1.00 0.00 SOLV H ATOM 2261 H2 TIP3 77 10.122 12.661 15.251 1.00 0.00 SOLV H ATOM 2262 OH2 TIP3 78 13.497 5.802 3.412 1.00 0.00 SOLV O ATOM 2263 H1 TIP3 78 14.248 5.773 4.034 1.00 0.00 SOLV H ATOM 2264 H2 TIP3 78 13.210 6.731 3.485 1.00 0.00 SOLV H ATOM 2265 OH2 TIP3 79 4.375 10.923 9.830 1.00 0.00 SOLV O ATOM 2266 H1 TIP3 79 4.933 10.630 9.081 1.00 0.00 SOLV H ATOM 2267 H2 TIP3 79 3.691 10.231 9.837 1.00 0.00 SOLV H ATOM 2268 OH2 TIP3 80 10.949 12.810 3.117 1.00 0.00 SOLV O ATOM 2269 H1 TIP3 80 10.628 13.727 3.291 1.00 0.00 SOLV H ATOM 2270 H2 TIP3 80 10.155 12.301 3.404 1.00 0.00 SOLV H ATOM 2271 OH2 TIP3 81 1.164 8.946 14.977 1.00 0.00 SOLV O ATOM 2272 H1 TIP3 81 0.850 8.604 15.825 1.00 0.00 SOLV H ATOM 2273 H2 TIP3 81 0.506 8.531 14.365 1.00 0.00 SOLV H ATOM 2274 OH2 TIP3 82 8.234 8.869 17.220 1.00 0.00 SOLV O ATOM 2275 H1 TIP3 82 7.768 8.523 16.442 1.00 0.00 SOLV H ATOM 2276 H2 TIP3 82 9.086 8.384 17.135 1.00 0.00 SOLV H ATOM 2277 OH2 TIP3 83 12.512 14.303 15.148 1.00 0.00 SOLV O ATOM 2278 H1 TIP3 83 11.553 14.223 15.013 1.00 0.00 SOLV H ATOM 2279 H2 TIP3 83 12.547 14.542 16.093 1.00 0.00 SOLV H ATOM 2280 OH2 TIP3 84 18.230 6.427 3.647 1.00 0.00 SOLV O ATOM 2281 H1 TIP3 84 17.848 6.374 2.738 1.00 0.00 SOLV H ATOM 2282 H2 TIP3 84 18.371 7.393 3.690 1.00 0.00 SOLV H ATOM 2283 OH2 TIP3 85 18.482 12.406 16.304 1.00 0.00 SOLV O ATOM 2284 H1 TIP3 85 17.567 12.439 15.949 1.00 0.00 SOLV H ATOM 2285 H2 TIP3 85 18.957 12.172 15.474 1.00 0.00 SOLV H ATOM 2286 OH2 TIP3 86 16.652 15.095 4.090 1.00 0.00 SOLV O ATOM 2287 H1 TIP3 86 16.070 14.346 4.281 1.00 0.00 SOLV H ATOM 2288 H2 TIP3 86 16.953 14.904 3.176 1.00 0.00 SOLV H ATOM 2289 OH2 TIP3 87 13.720 9.730 11.175 1.00 0.00 SOLV O ATOM 2290 H1 TIP3 87 12.751 9.632 11.053 1.00 0.00 SOLV H ATOM 2291 H2 TIP3 87 14.028 9.084 10.502 1.00 0.00 SOLV H ATOM 2292 OH2 TIP3 88 6.455 14.308 7.188 1.00 0.00 SOLV O ATOM 2293 H1 TIP3 88 6.663 15.191 6.830 1.00 0.00 SOLV H ATOM 2294 H2 TIP3 88 5.505 14.253 7.027 1.00 0.00 SOLV H ATOM 2295 OH2 TIP3 89 2.006 8.982 1.788 1.00 0.00 SOLV O ATOM 2296 H1 TIP3 89 2.652 9.504 2.311 1.00 0.00 SOLV H ATOM 2297 H2 TIP3 89 1.364 9.672 1.575 1.00 0.00 SOLV H ATOM 2298 OH2 TIP3 90 7.420 11.857 6.251 1.00 0.00 SOLV O ATOM 2299 H1 TIP3 90 7.211 12.726 6.643 1.00 0.00 SOLV H ATOM 2300 H2 TIP3 90 6.929 11.247 6.832 1.00 0.00 SOLV H ATOM 2301 OH2 TIP3 91 8.270 16.134 13.001 1.00 0.00 SOLV O ATOM 2302 H1 TIP3 91 8.909 16.852 12.799 1.00 0.00 SOLV H ATOM 2303 H2 TIP3 91 8.847 15.484 13.432 1.00 0.00 SOLV H ATOM 2304 OH2 TIP3 92 6.432 17.063 6.081 1.00 0.00 SOLV O ATOM 2305 H1 TIP3 92 5.500 17.177 6.370 1.00 0.00 SOLV H ATOM 2306 H2 TIP3 92 6.832 17.894 6.419 1.00 0.00 SOLV H ATOM 2307 OH2 TIP3 93 11.461 12.044 12.563 1.00 0.00 SOLV O ATOM 2308 H1 TIP3 93 11.202 11.863 13.495 1.00 0.00 SOLV H ATOM 2309 H2 TIP3 93 12.078 11.320 12.384 1.00 0.00 SOLV H ATOM 2310 OH2 TIP3 94 13.700 13.129 2.097 1.00 0.00 SOLV O ATOM 2311 H1 TIP3 94 14.330 12.668 2.683 1.00 0.00 SOLV H ATOM 2312 H2 TIP3 94 12.873 13.021 2.592 1.00 0.00 SOLV H ATOM 2313 OH2 TIP3 95 14.484 16.516 15.007 1.00 0.00 SOLV O ATOM 2314 H1 TIP3 95 13.657 16.095 14.691 1.00 0.00 SOLV H ATOM 2315 H2 TIP3 95 14.558 17.279 14.394 1.00 0.00 SOLV H ATOM 2316 OH2 TIP3 96 18.709 17.729 1.828 1.00 0.00 SOLV O ATOM 2317 H1 TIP3 96 19.285 18.453 2.157 1.00 0.00 SOLV H ATOM 2318 H2 TIP3 96 17.842 18.066 2.148 1.00 0.00 SOLV H ATOM 2319 OH2 TIP3 97 2.594 3.980 14.511 1.00 0.00 SOLV O ATOM 2320 H1 TIP3 97 1.814 3.579 14.062 1.00 0.00 SOLV H ATOM 2321 H2 TIP3 97 2.705 3.357 15.254 1.00 0.00 SOLV H ATOM 2322 OH2 TIP3 98 15.132 11.913 4.231 1.00 0.00 SOLV O ATOM 2323 H1 TIP3 98 14.701 11.105 4.580 1.00 0.00 SOLV H ATOM 2324 H2 TIP3 98 16.072 11.631 4.263 1.00 0.00 SOLV H ATOM 2325 OH2 TIP3 99 2.040 15.541 12.887 1.00 0.00 SOLV O ATOM 2326 H1 TIP3 99 2.673 14.810 12.897 1.00 0.00 SOLV H ATOM 2327 H2 TIP3 99 2.423 16.157 13.528 1.00 0.00 SOLV H ATOM 2328 OH2 TIP3 100 8.118 14.206 0.329 1.00 0.00 SOLV O ATOM 2329 H1 TIP3 100 8.314 13.333 -0.044 1.00 0.00 SOLV H ATOM 2330 H2 TIP3 100 7.624 13.992 1.151 1.00 0.00 SOLV H ATOM 2331 OH2 TIP3 101 6.867 13.776 2.775 1.00 0.00 SOLV O ATOM 2332 H1 TIP3 101 7.426 13.253 3.375 1.00 0.00 SOLV H ATOM 2333 H2 TIP3 101 6.989 14.683 3.137 1.00 0.00 SOLV H ATOM 2334 OH2 TIP3 102 3.479 10.838 3.177 1.00 0.00 SOLV O ATOM 2335 H1 TIP3 102 2.796 11.342 3.688 1.00 0.00 SOLV H ATOM 2336 H2 TIP3 102 3.892 11.594 2.716 1.00 0.00 SOLV H ATOM 2337 OH2 TIP3 103 12.184 3.217 5.037 1.00 0.00 SOLV O ATOM 2338 H1 TIP3 103 12.565 3.661 4.271 1.00 0.00 SOLV H ATOM 2339 H2 TIP3 103 12.206 3.936 5.711 1.00 0.00 SOLV H ATOM 2340 OH2 TIP3 104 9.851 15.244 3.389 1.00 0.00 SOLV O ATOM 2341 H1 TIP3 104 9.008 15.667 3.644 1.00 0.00 SOLV H ATOM 2342 H2 TIP3 104 9.950 15.548 2.467 1.00 0.00 SOLV H ATOM 2343 OH2 TIP3 105 9.223 5.217 5.560 1.00 0.00 SOLV O ATOM 2344 H1 TIP3 105 10.115 5.528 5.807 1.00 0.00 SOLV H ATOM 2345 H2 TIP3 105 8.919 4.931 6.451 1.00 0.00 SOLV H ATOM 2346 OH2 TIP3 106 9.934 2.294 6.234 1.00 0.00 SOLV O ATOM 2347 H1 TIP3 106 9.928 3.071 6.823 1.00 0.00 SOLV H ATOM 2348 H2 TIP3 106 10.787 2.446 5.770 1.00 0.00 SOLV H ATOM 2349 OH2 TIP3 107 7.347 16.327 3.641 1.00 0.00 SOLV O ATOM 2350 H1 TIP3 107 7.306 17.187 3.169 1.00 0.00 SOLV H ATOM 2351 H2 TIP3 107 7.000 16.584 4.527 1.00 0.00 SOLV H ATOM 2352 OH2 TIP3 108 6.019 3.418 2.940 1.00 0.00 SOLV O ATOM 2353 H1 TIP3 108 5.945 4.161 3.581 1.00 0.00 SOLV H ATOM 2354 H2 TIP3 108 6.885 3.072 3.251 1.00 0.00 SOLV H ATOM 2355 OH2 TIP3 109 15.922 3.948 15.599 1.00 0.00 SOLV O ATOM 2356 H1 TIP3 109 14.986 4.201 15.418 1.00 0.00 SOLV H ATOM 2357 H2 TIP3 109 16.143 3.594 14.719 1.00 0.00 SOLV H ATOM 2358 OH2 TIP3 110 14.355 7.620 9.399 1.00 0.00 SOLV O ATOM 2359 H1 TIP3 110 13.673 7.073 8.977 1.00 0.00 SOLV H ATOM 2360 H2 TIP3 110 14.942 6.957 9.815 1.00 0.00 SOLV H ATOM 2361 OH2 TIP3 111 4.217 13.222 1.936 1.00 0.00 SOLV O ATOM 2362 H1 TIP3 111 5.008 13.564 2.396 1.00 0.00 SOLV H ATOM 2363 H2 TIP3 111 4.661 12.704 1.232 1.00 0.00 SOLV H ATOM 2364 OH2 TIP3 112 2.675 6.401 1.164 1.00 0.00 SOLV O ATOM 2365 H1 TIP3 112 2.393 7.309 1.426 1.00 0.00 SOLV H ATOM 2366 H2 TIP3 112 1.888 6.060 0.716 1.00 0.00 SOLV H ATOM 2367 OH2 TIP3 113 15.796 17.133 11.124 1.00 0.00 SOLV O ATOM 2368 H1 TIP3 113 15.645 17.833 10.450 1.00 0.00 SOLV H ATOM 2369 H2 TIP3 113 16.776 17.175 11.198 1.00 0.00 SOLV H ATOM 2370 OH2 TIP3 114 3.166 1.043 9.849 1.00 0.00 SOLV O ATOM 2371 H1 TIP3 114 3.124 1.073 8.873 1.00 0.00 SOLV H ATOM 2372 H2 TIP3 114 3.297 0.075 9.972 1.00 0.00 SOLV H ATOM 2373 OH2 TIP3 115 2.128 15.155 5.926 1.00 0.00 SOLV O ATOM 2374 H1 TIP3 115 1.355 15.328 6.481 1.00 0.00 SOLV H ATOM 2375 H2 TIP3 115 1.949 15.721 5.137 1.00 0.00 SOLV H ATOM 2376 OH2 TIP3 116 1.846 17.871 17.457 1.00 0.00 SOLV O ATOM 2377 H1 TIP3 116 2.326 17.900 18.310 1.00 0.00 SOLV H ATOM 2378 H2 TIP3 116 1.912 16.911 17.285 1.00 0.00 SOLV H ATOM 2379 OH2 TIP3 117 5.769 16.291 18.988 1.00 0.00 SOLV O ATOM 2380 H1 TIP3 117 6.661 15.966 19.159 1.00 0.00 SOLV H ATOM 2381 H2 TIP3 117 5.592 15.898 18.107 1.00 0.00 SOLV H ATOM 2382 OH2 TIP3 118 10.133 15.977 0.735 1.00 0.00 SOLV O ATOM 2383 H1 TIP3 118 9.458 15.321 0.454 1.00 0.00 SOLV H ATOM 2384 H2 TIP3 118 10.936 15.634 0.281 1.00 0.00 SOLV H ATOM 2385 OH2 TIP3 119 12.380 14.909 17.887 1.00 0.00 SOLV O ATOM 2386 H1 TIP3 119 12.191 14.052 18.331 1.00 0.00 SOLV H ATOM 2387 H2 TIP3 119 13.170 15.211 18.377 1.00 0.00 SOLV H ATOM 2388 OH2 TIP3 120 14.511 15.801 0.917 1.00 0.00 SOLV O ATOM 2389 H1 TIP3 120 14.897 14.962 1.219 1.00 0.00 SOLV H ATOM 2390 H2 TIP3 120 15.131 16.085 0.219 1.00 0.00 SOLV H ATOM 2391 OH2 TIP3 121 1.434 11.553 18.143 1.00 0.00 SOLV O ATOM 2392 H1 TIP3 121 1.480 10.581 17.994 1.00 0.00 SOLV H ATOM 2393 H2 TIP3 121 0.496 11.708 17.949 1.00 0.00 SOLV H ATOM 2394 OH2 TIP3 122 5.811 11.482 0.611 1.00 0.00 SOLV O ATOM 2395 H1 TIP3 122 6.163 10.994 1.392 1.00 0.00 SOLV H ATOM 2396 H2 TIP3 122 6.610 11.826 0.208 1.00 0.00 SOLV H ATOM 2397 OH2 TIP3 123 7.861 11.613 17.828 1.00 0.00 SOLV O ATOM 2398 H1 TIP3 123 7.668 12.087 16.988 1.00 0.00 SOLV H ATOM 2399 H2 TIP3 123 8.009 10.692 17.527 1.00 0.00 SOLV H ATOM 2400 OH2 TIP3 124 11.045 12.348 0.368 1.00 0.00 SOLV O ATOM 2401 H1 TIP3 124 10.992 12.501 1.336 1.00 0.00 SOLV H ATOM 2402 H2 TIP3 124 11.682 11.620 0.331 1.00 0.00 SOLV H ATOM 2403 OH2 TIP3 125 13.641 11.411 15.437 1.00 0.00 SOLV O ATOM 2404 H1 TIP3 125 14.470 11.863 15.194 1.00 0.00 SOLV H ATOM 2405 H2 TIP3 125 12.974 12.089 15.232 1.00 0.00 SOLV H ATOM 2406 OH2 TIP3 126 1.713 8.869 17.891 1.00 0.00 SOLV O ATOM 2407 H1 TIP3 126 2.150 8.102 17.497 1.00 0.00 SOLV H ATOM 2408 H2 TIP3 126 2.041 8.830 18.813 1.00 0.00 SOLV H ATOM 2409 OH2 TIP3 127 6.786 9.942 2.638 1.00 0.00 SOLV O ATOM 2410 H1 TIP3 127 6.214 9.508 3.294 1.00 0.00 SOLV H ATOM 2411 H2 TIP3 127 7.188 9.170 2.188 1.00 0.00 SOLV H ATOM 2412 OH2 TIP3 128 6.129 7.618 15.099 1.00 0.00 SOLV O ATOM 2413 H1 TIP3 128 5.413 8.286 15.060 1.00 0.00 SOLV H ATOM 2414 H2 TIP3 128 6.895 8.114 14.727 1.00 0.00 SOLV H ATOM 2415 OH2 TIP3 129 7.988 7.876 1.154 1.00 0.00 SOLV O ATOM 2416 H1 TIP3 129 8.051 7.888 0.192 1.00 0.00 SOLV H ATOM 2417 H2 TIP3 129 8.942 7.772 1.380 1.00 0.00 SOLV H ATOM 2418 OH2 TIP3 130 11.444 10.120 18.665 1.00 0.00 SOLV O ATOM 2419 H1 TIP3 130 11.775 9.680 17.867 1.00 0.00 SOLV H ATOM 2420 H2 TIP3 130 10.868 9.429 19.037 1.00 0.00 SOLV H ATOM 2421 OH2 TIP3 131 17.081 10.163 0.494 1.00 0.00 SOLV O ATOM 2422 H1 TIP3 131 17.381 9.743 -0.325 1.00 0.00 SOLV H ATOM 2423 H2 TIP3 131 17.352 11.087 0.320 1.00 0.00 SOLV H ATOM 2424 OH2 TIP3 132 6.656 5.205 16.133 1.00 0.00 SOLV O ATOM 2425 H1 TIP3 132 6.653 4.551 15.405 1.00 0.00 SOLV H ATOM 2426 H2 TIP3 132 6.451 6.043 15.652 1.00 0.00 SOLV H ATOM 2427 OH2 TIP3 133 6.850 3.407 14.006 1.00 0.00 SOLV O ATOM 2428 H1 TIP3 133 7.405 4.009 13.468 1.00 0.00 SOLV H ATOM 2429 H2 TIP3 133 6.014 3.401 13.485 1.00 0.00 SOLV H ATOM 2430 OH2 TIP3 134 8.334 8.741 14.193 1.00 0.00 SOLV O ATOM 2431 H1 TIP3 134 8.419 8.449 13.260 1.00 0.00 SOLV H ATOM 2432 H2 TIP3 134 8.096 9.680 14.028 1.00 0.00 SOLV H ATOM 2433 OH2 TIP3 135 12.817 6.603 18.874 1.00 0.00 SOLV O ATOM 2434 H1 TIP3 135 12.764 5.645 18.724 1.00 0.00 SOLV H ATOM 2435 H2 TIP3 135 13.684 6.803 18.488 1.00 0.00 SOLV H ATOM 2436 OH2 TIP3 136 14.097 9.437 17.190 1.00 0.00 SOLV O ATOM 2437 H1 TIP3 136 13.828 10.202 16.624 1.00 0.00 SOLV H ATOM 2438 H2 TIP3 136 15.071 9.510 17.114 1.00 0.00 SOLV H ATOM 2439 OH2 TIP3 137 5.104 5.799 18.396 1.00 0.00 SOLV O ATOM 2440 H1 TIP3 137 4.307 5.265 18.191 1.00 0.00 SOLV H ATOM 2441 H2 TIP3 137 5.574 5.778 17.537 1.00 0.00 SOLV H ATOM 2442 OH2 TIP3 138 7.882 0.892 14.653 1.00 0.00 SOLV O ATOM 2443 H1 TIP3 138 7.452 1.764 14.496 1.00 0.00 SOLV H ATOM 2444 H2 TIP3 138 7.355 0.309 14.090 1.00 0.00 SOLV H ATOM 2445 OH2 TIP3 139 8.980 4.945 17.626 1.00 0.00 SOLV O ATOM 2446 H1 TIP3 139 8.587 4.528 18.411 1.00 0.00 SOLV H ATOM 2447 H2 TIP3 139 8.188 4.996 17.049 1.00 0.00 SOLV H ATOM 2448 OH2 TIP3 140 11.750 4.512 17.109 1.00 0.00 SOLV O ATOM 2449 H1 TIP3 140 10.790 4.404 17.255 1.00 0.00 SOLV H ATOM 2450 H2 TIP3 140 12.128 3.715 17.522 1.00 0.00 SOLV H ATOM 2451 OH2 TIP3 141 13.338 2.766 18.788 1.00 0.00 SOLV O ATOM 2452 H1 TIP3 141 13.076 1.859 18.971 1.00 0.00 SOLV H ATOM 2453 H2 TIP3 141 13.156 3.204 19.649 1.00 0.00 SOLV H ATOM 2454 OH2 TIP3 142 2.983 4.081 18.023 1.00 0.00 SOLV O ATOM 2455 H1 TIP3 142 2.892 3.306 17.433 1.00 0.00 SOLV H ATOM 2456 H2 TIP3 142 3.027 3.649 18.899 1.00 0.00 SOLV H ATOM 2457 OH2 TIP3 143 8.701 1.921 18.814 1.00 0.00 SOLV O ATOM 2458 H1 TIP3 143 8.375 1.061 18.513 1.00 0.00 SOLV H ATOM 2459 H2 TIP3 143 7.895 2.472 18.871 1.00 0.00 SOLV H ATOM 2460 OH2 TIP3 144 7.650 18.688 2.230 1.00 0.00 SOLV O ATOM 2461 H1 TIP3 144 8.626 18.634 2.146 1.00 0.00 SOLV H ATOM 2462 H2 TIP3 144 7.429 19.348 1.570 1.00 0.00 SOLV H ATOM 2463 OH2 TIP3 145 1.511 12.875 1.158 1.00 0.00 SOLV O ATOM 2464 H1 TIP3 145 2.296 13.172 1.643 1.00 0.00 SOLV H ATOM 2465 H2 TIP3 145 1.902 12.290 0.495 1.00 0.00 SOLV H ATOM 2466 OH2 TIP3 146 1.149 16.720 8.449 1.00 0.00 SOLV O ATOM 2467 H1 TIP3 146 1.113 15.833 8.876 1.00 0.00 SOLV H ATOM 2468 H2 TIP3 146 1.689 17.194 9.106 1.00 0.00 SOLV H ATOM 2469 OH2 TIP3 147 18.451 17.535 11.628 1.00 0.00 SOLV O ATOM 2470 H1 TIP3 147 18.548 17.555 12.594 1.00 0.00 SOLV H ATOM 2471 H2 TIP3 147 19.354 17.715 11.318 1.00 0.00 SOLV H ATOM 2472 OH2 TIP3 148 17.945 17.053 14.413 1.00 0.00 SOLV O ATOM 2473 H1 TIP3 148 17.368 16.347 14.049 1.00 0.00 SOLV H ATOM 2474 H2 TIP3 148 18.515 16.514 14.986 1.00 0.00 SOLV H ATOM 2475 OH2 TIP3 149 16.362 12.709 19.324 1.00 0.00 SOLV O ATOM 2476 H1 TIP3 149 15.486 12.916 19.699 1.00 0.00 SOLV H ATOM 2477 H2 TIP3 149 16.887 13.503 19.549 1.00 0.00 SOLV H ATOM 2478 OH2 TIP3 150 17.780 11.038 4.523 1.00 0.00 SOLV O ATOM 2479 H1 TIP3 150 18.564 11.624 4.538 1.00 0.00 SOLV H ATOM 2480 H2 TIP3 150 17.944 10.475 5.317 1.00 0.00 SOLV H ATOM 2481 OH2 TIP3 151 18.128 9.147 6.517 1.00 0.00 SOLV O ATOM 2482 H1 TIP3 151 17.242 8.752 6.628 1.00 0.00 SOLV H ATOM 2483 H2 TIP3 151 18.583 8.714 7.266 1.00 0.00 SOLV H ATOM 2484 OH2 TIP3 152 18.190 12.057 11.555 1.00 0.00 SOLV O ATOM 2485 H1 TIP3 152 18.686 11.313 11.144 1.00 0.00 SOLV H ATOM 2486 H2 TIP3 152 18.406 12.802 10.968 1.00 0.00 SOLV H ATOM 2487 OH2 TIP3 153 16.350 14.882 13.690 1.00 0.00 SOLV O ATOM 2488 H1 TIP3 153 15.555 15.309 14.059 1.00 0.00 SOLV H ATOM 2489 H2 TIP3 153 16.055 14.671 12.775 1.00 0.00 SOLV H ATOM 2490 OH2 TIP3 154 18.459 9.124 2.677 1.00 0.00 SOLV O ATOM 2491 H1 TIP3 154 17.926 9.430 1.913 1.00 0.00 SOLV H ATOM 2492 H2 TIP3 154 18.163 9.762 3.360 1.00 0.00 SOLV H ATOM 2493 OH2 TIP3 155 16.947 6.288 1.291 1.00 0.00 SOLV O ATOM 2494 H1 TIP3 155 16.263 6.954 1.139 1.00 0.00 SOLV H ATOM 2495 H2 TIP3 155 16.433 5.451 1.205 1.00 0.00 SOLV H ATOM 2496 OH2 TIP3 156 15.645 7.958 6.890 1.00 0.00 SOLV O ATOM 2497 H1 TIP3 156 15.260 7.119 6.602 1.00 0.00 SOLV H ATOM 2498 H2 TIP3 156 15.458 7.950 7.849 1.00 0.00 SOLV H ATOM 2499 OH2 TIP3 157 1.049 10.604 11.227 1.00 0.00 SOLV O ATOM 2500 H1 TIP3 157 1.211 10.368 10.293 1.00 0.00 SOLV H ATOM 2501 H2 TIP3 157 1.813 10.151 11.638 1.00 0.00 SOLV H ATOM 2502 OH2 TIP3 158 16.868 9.802 17.053 1.00 0.00 SOLV O ATOM 2503 H1 TIP3 158 17.423 9.010 16.872 1.00 0.00 SOLV H ATOM 2504 H2 TIP3 158 17.178 10.422 16.375 1.00 0.00 SOLV H ATOM 2505 OH2 TIP3 159 18.230 7.474 16.924 1.00 0.00 SOLV O ATOM 2506 H1 TIP3 159 17.349 7.043 16.872 1.00 0.00 SOLV H ATOM 2507 H2 TIP3 159 18.795 6.683 17.077 1.00 0.00 SOLV H ATOM 2508 OH2 TIP3 160 15.606 4.056 0.612 1.00 0.00 SOLV O ATOM 2509 H1 TIP3 160 16.138 3.396 0.116 1.00 0.00 SOLV H ATOM 2510 H2 TIP3 160 14.772 3.596 0.814 1.00 0.00 SOLV H ATOM 2511 OH2 TIP3 161 15.892 5.417 5.113 1.00 0.00 SOLV O ATOM 2512 H1 TIP3 161 16.172 5.171 6.003 1.00 0.00 SOLV H ATOM 2513 H2 TIP3 161 16.717 5.758 4.717 1.00 0.00 SOLV H ATOM 2514 OH2 TIP3 162 16.303 5.918 10.456 1.00 0.00 SOLV O ATOM 2515 H1 TIP3 162 17.118 6.362 10.104 1.00 0.00 SOLV H ATOM 2516 H2 TIP3 162 16.427 6.036 11.419 1.00 0.00 SOLV H ATOM 2517 OH2 TIP3 163 16.407 6.615 13.338 1.00 0.00 SOLV O ATOM 2518 H1 TIP3 163 15.612 6.983 13.757 1.00 0.00 SOLV H ATOM 2519 H2 TIP3 163 16.969 7.416 13.231 1.00 0.00 SOLV H ATOM 2520 OH2 TIP3 164 0.943 5.882 17.625 1.00 0.00 SOLV O ATOM 2521 H1 TIP3 164 1.741 5.308 17.588 1.00 0.00 SOLV H ATOM 2522 H2 TIP3 164 0.259 5.178 17.531 1.00 0.00 SOLV H ATOM 2523 OH2 TIP3 165 18.722 0.931 19.110 1.00 0.00 SOLV O ATOM 2524 H1 TIP3 165 19.443 0.309 18.909 1.00 0.00 SOLV H ATOM 2525 H2 TIP3 165 18.498 1.299 18.233 1.00 0.00 SOLV H ATOM 2526 OH2 TIP3 166 1.579 3.398 9.961 1.00 0.00 SOLV O ATOM 2527 H1 TIP3 166 2.016 2.534 10.099 1.00 0.00 SOLV H ATOM 2528 H2 TIP3 166 2.317 3.998 10.184 1.00 0.00 SOLV H ATOM 2529 OH2 TIP3 167 0.436 7.700 10.912 1.00 0.00 SOLV O ATOM 2530 H1 TIP3 167 0.783 7.457 10.037 1.00 0.00 SOLV H ATOM 2531 H2 TIP3 167 1.191 8.209 11.255 1.00 0.00 SOLV H ATOM 2532 OH2 TIP3 168 18.003 2.633 16.866 1.00 0.00 SOLV O ATOM 2533 H1 TIP3 168 17.156 3.109 16.736 1.00 0.00 SOLV H ATOM 2534 H2 TIP3 168 18.185 2.360 15.951 1.00 0.00 SOLV H ATOM 2535 OH2 TIP3 169 1.243 1.937 5.188 1.00 0.00 SOLV O ATOM 2536 H1 TIP3 169 0.288 2.122 5.120 1.00 0.00 SOLV H ATOM 2537 H2 TIP3 169 1.588 2.757 4.792 1.00 0.00 SOLV H ATOM 2538 OH2 TIP3 170 15.273 17.694 7.122 1.00 0.00 SOLV O ATOM 2539 H1 TIP3 170 15.924 17.624 6.391 1.00 0.00 SOLV H ATOM 2540 H2 TIP3 170 15.811 18.085 7.823 1.00 0.00 SOLV H ATOM 2541 OH2 TIP3 171 0.759 2.235 13.377 1.00 0.00 SOLV O ATOM 2542 H1 TIP3 171 0.667 1.428 13.904 1.00 0.00 SOLV H ATOM 2543 H2 TIP3 171 0.316 1.968 12.560 1.00 0.00 SOLV H ATOM 2544 OH2 TIP3 172 2.355 15.025 17.517 1.00 0.00 SOLV O ATOM 2545 H1 TIP3 172 2.285 14.307 16.858 1.00 0.00 SOLV H ATOM 2546 H2 TIP3 172 1.991 14.613 18.322 1.00 0.00 SOLV H ATOM 2547 OH2 TIP3 173 5.649 15.836 13.808 1.00 0.00 SOLV O ATOM 2548 H1 TIP3 173 5.423 16.748 13.521 1.00 0.00 SOLV H ATOM 2549 H2 TIP3 173 6.602 15.857 13.576 1.00 0.00 SOLV H ATOM 2550 OH2 TIP3 174 9.666 16.920 16.621 1.00 0.00 SOLV O ATOM 2551 H1 TIP3 174 9.835 16.674 17.553 1.00 0.00 SOLV H ATOM 2552 H2 TIP3 174 10.487 17.414 16.410 1.00 0.00 SOLV H ATOM 2553 OH2 TIP3 175 11.943 18.382 16.162 1.00 0.00 SOLV O ATOM 2554 H1 TIP3 175 12.615 17.883 15.674 1.00 0.00 SOLV H ATOM 2555 H2 TIP3 175 12.450 18.680 16.948 1.00 0.00 SOLV H ATOM 2556 OH2 TIP3 176 16.571 0.626 14.591 1.00 0.00 SOLV O ATOM 2557 H1 TIP3 176 16.259 1.423 14.107 1.00 0.00 SOLV H ATOM 2558 H2 TIP3 176 16.614 -0.017 13.871 1.00 0.00 SOLV H ATOM 2559 OH2 TIP3 177 2.836 18.756 13.909 1.00 0.00 SOLV O ATOM 2560 H1 TIP3 177 2.071 19.238 13.528 1.00 0.00 SOLV H ATOM 2561 H2 TIP3 177 2.747 19.001 14.838 1.00 0.00 SOLV H ATOM 2562 OH2 TIP3 178 5.418 18.425 13.035 1.00 0.00 SOLV O ATOM 2563 H1 TIP3 178 4.473 18.597 13.255 1.00 0.00 SOLV H ATOM 2564 H2 TIP3 178 5.496 18.871 12.168 1.00 0.00 SOLV H ATOM 2565 OH2 TIP3 179 9.974 18.139 12.162 1.00 0.00 SOLV O ATOM 2566 H1 TIP3 179 9.509 18.524 11.396 1.00 0.00 SOLV H ATOM 2567 H2 TIP3 179 10.086 18.919 12.742 1.00 0.00 SOLV H ATOM 2568 OH2 TIP3 180 12.320 17.006 13.237 1.00 0.00 SOLV O ATOM 2569 H1 TIP3 180 11.512 17.351 12.810 1.00 0.00 SOLV H ATOM 2570 H2 TIP3 180 12.997 17.609 12.895 1.00 0.00 SOLV H ATOM 2571 OH2 TIP3 181 14.820 18.589 13.218 1.00 0.00 SOLV O ATOM 2572 H1 TIP3 181 14.920 19.512 12.908 1.00 0.00 SOLV H ATOM 2573 H2 TIP3 181 15.193 18.089 12.455 1.00 0.00 SOLV H ATOM 2574 OH2 TIP3 182 2.510 17.506 10.718 1.00 0.00 SOLV O ATOM 2575 H1 TIP3 182 2.118 16.925 11.400 1.00 0.00 SOLV H ATOM 2576 H2 TIP3 182 3.244 16.939 10.396 1.00 0.00 SOLV H ATOM 2577 OH2 TIP3 183 4.483 16.054 9.556 1.00 0.00 SOLV O ATOM 2578 H1 TIP3 183 4.330 15.129 9.865 1.00 0.00 SOLV H ATOM 2579 H2 TIP3 183 5.417 16.187 9.814 1.00 0.00 SOLV H ATOM 2580 OH2 TIP3 184 7.151 16.426 10.474 1.00 0.00 SOLV O ATOM 2581 H1 TIP3 184 7.253 15.482 10.225 1.00 0.00 SOLV H ATOM 2582 H2 TIP3 184 7.456 16.370 11.401 1.00 0.00 SOLV H ATOM 2583 OH2 TIP3 185 10.268 2.507 9.773 1.00 0.00 SOLV O ATOM 2584 H1 TIP3 185 9.466 1.949 9.658 1.00 0.00 SOLV H ATOM 2585 H2 TIP3 185 10.909 2.000 9.220 1.00 0.00 SOLV H ATOM 2586 OH2 TIP3 186 16.221 0.857 9.711 1.00 0.00 SOLV O ATOM 2587 H1 TIP3 186 16.501 0.844 8.776 1.00 0.00 SOLV H ATOM 2588 H2 TIP3 186 15.876 1.774 9.781 1.00 0.00 SOLV H ATOM 2589 OH2 TIP3 187 17.532 1.304 7.294 1.00 0.00 SOLV O ATOM 2590 H1 TIP3 187 18.452 1.012 7.363 1.00 0.00 SOLV H ATOM 2591 H2 TIP3 187 17.652 2.248 7.513 1.00 0.00 SOLV H ATOM 2592 OH2 TIP3 188 3.005 0.817 7.069 1.00 0.00 SOLV O ATOM 2593 H1 TIP3 188 2.355 1.029 6.363 1.00 0.00 SOLV H ATOM 2594 H2 TIP3 188 3.163 -0.127 6.939 1.00 0.00 SOLV H ATOM 2595 OH2 TIP3 189 1.839 0.457 2.856 1.00 0.00 SOLV O ATOM 2596 H1 TIP3 189 2.376 1.163 2.435 1.00 0.00 SOLV H ATOM 2597 H2 TIP3 189 1.516 0.910 3.655 1.00 0.00 SOLV H ATOM 2598 OH2 TIP3 190 7.320 1.517 7.012 1.00 0.00 SOLV O ATOM 2599 H1 TIP3 190 8.119 1.990 6.703 1.00 0.00 SOLV H ATOM 2600 H2 TIP3 190 7.536 1.421 7.960 1.00 0.00 SOLV H ATOM 2601 OH2 TIP3 191 12.310 1.131 8.430 1.00 0.00 SOLV O ATOM 2602 H1 TIP3 191 12.568 1.664 7.668 1.00 0.00 SOLV H ATOM 2603 H2 TIP3 191 13.025 0.451 8.463 1.00 0.00 SOLV H ATOM 2604 OH2 TIP3 192 1.724 16.731 3.737 1.00 0.00 SOLV O ATOM 2605 H1 TIP3 192 1.033 16.365 3.174 1.00 0.00 SOLV H ATOM 2606 H2 TIP3 192 1.783 17.651 3.418 1.00 0.00 SOLV H ATOM 2607 OH2 TIP3 193 3.719 2.242 1.909 1.00 0.00 SOLV O ATOM 2608 H1 TIP3 193 3.996 2.317 0.987 1.00 0.00 SOLV H ATOM 2609 H2 TIP3 193 4.502 2.605 2.373 1.00 0.00 SOLV H ATOM 2610 OH2 TIP3 194 8.556 3.025 3.965 1.00 0.00 SOLV O ATOM 2611 H1 TIP3 194 8.963 2.368 4.563 1.00 0.00 SOLV H ATOM 2612 H2 TIP3 194 8.777 3.836 4.476 1.00 0.00 SOLV H ATOM 2613 OH2 TIP3 195 10.339 18.346 1.970 1.00 0.00 SOLV O ATOM 2614 H1 TIP3 195 11.322 18.348 2.065 1.00 0.00 SOLV H ATOM 2615 H2 TIP3 195 10.242 17.438 1.597 1.00 0.00 SOLV H ATOM 2616 OH2 TIP3 196 17.235 17.506 5.166 1.00 0.00 SOLV O ATOM 2617 H1 TIP3 196 17.052 16.584 4.857 1.00 0.00 SOLV H ATOM 2618 H2 TIP3 196 17.018 18.009 4.355 1.00 0.00 SOLV H ATOM 2619 OH2 TIP3 197 2.874 1.804 16.417 1.00 0.00 SOLV O ATOM 2620 H1 TIP3 197 2.461 1.081 15.913 1.00 0.00 SOLV H ATOM 2621 H2 TIP3 197 3.443 1.314 17.037 1.00 0.00 SOLV H ATOM 2622 OH2 TIP3 198 4.888 1.258 18.519 1.00 0.00 SOLV O ATOM 2623 H1 TIP3 198 5.623 1.548 17.965 1.00 0.00 SOLV H ATOM 2624 H2 TIP3 198 5.217 0.405 18.879 1.00 0.00 SOLV H ATOM 2625 OH2 TIP3 199 3.254 17.545 0.839 1.00 0.00 SOLV O ATOM 2626 H1 TIP3 199 2.759 18.009 1.534 1.00 0.00 SOLV H ATOM 2627 H2 TIP3 199 3.843 16.974 1.353 1.00 0.00 SOLV H ATOM 2628 OH2 TIP3 200 16.156 16.142 17.193 1.00 0.00 SOLV O ATOM 2629 H1 TIP3 200 15.583 16.131 16.394 1.00 0.00 SOLV H ATOM 2630 H2 TIP3 200 16.167 17.103 17.380 1.00 0.00 SOLV H ATOM 2631 OH2 TIP3 201 30.932 10.127 6.960 1.00 0.00 SOLV O ATOM 2632 H1 TIP3 201 30.765 11.090 6.870 1.00 0.00 SOLV H ATOM 2633 H2 TIP3 201 30.237 9.790 6.366 1.00 0.00 SOLV H ATOM 2634 OH2 TIP3 202 29.834 9.345 10.749 1.00 0.00 SOLV O ATOM 2635 H1 TIP3 202 29.964 8.905 11.612 1.00 0.00 SOLV H ATOM 2636 H2 TIP3 202 29.367 8.651 10.253 1.00 0.00 SOLV H ATOM 2637 OH2 TIP3 203 22.071 9.039 12.195 1.00 0.00 SOLV O ATOM 2638 H1 TIP3 203 21.997 8.161 12.607 1.00 0.00 SOLV H ATOM 2639 H2 TIP3 203 23.025 9.075 11.985 1.00 0.00 SOLV H ATOM 2640 OH2 TIP3 204 33.509 12.417 8.996 1.00 0.00 SOLV O ATOM 2641 H1 TIP3 204 33.012 11.708 9.428 1.00 0.00 SOLV H ATOM 2642 H2 TIP3 204 33.755 12.987 9.745 1.00 0.00 SOLV H ATOM 2643 OH2 TIP3 205 23.154 13.603 10.510 1.00 0.00 SOLV O ATOM 2644 H1 TIP3 205 22.961 12.684 10.209 1.00 0.00 SOLV H ATOM 2645 H2 TIP3 205 24.119 13.525 10.630 1.00 0.00 SOLV H ATOM 2646 OH2 TIP3 206 30.769 17.434 9.444 1.00 0.00 SOLV O ATOM 2647 H1 TIP3 206 31.150 16.822 8.780 1.00 0.00 SOLV H ATOM 2648 H2 TIP3 206 30.367 16.811 10.062 1.00 0.00 SOLV H ATOM 2649 OH2 TIP3 207 28.059 11.874 11.123 1.00 0.00 SOLV O ATOM 2650 H1 TIP3 207 28.465 11.120 10.662 1.00 0.00 SOLV H ATOM 2651 H2 TIP3 207 28.825 12.129 11.683 1.00 0.00 SOLV H ATOM 2652 OH2 TIP3 208 36.815 3.421 11.801 1.00 0.00 SOLV O ATOM 2653 H1 TIP3 208 37.037 4.069 12.507 1.00 0.00 SOLV H ATOM 2654 H2 TIP3 208 37.260 3.818 11.036 1.00 0.00 SOLV H ATOM 2655 OH2 TIP3 209 31.333 6.149 11.139 1.00 0.00 SOLV O ATOM 2656 H1 TIP3 209 31.499 5.196 11.249 1.00 0.00 SOLV H ATOM 2657 H2 TIP3 209 31.146 6.194 10.180 1.00 0.00 SOLV H ATOM 2658 OH2 TIP3 210 24.686 4.274 8.497 1.00 0.00 SOLV O ATOM 2659 H1 TIP3 210 24.765 5.147 8.056 1.00 0.00 SOLV H ATOM 2660 H2 TIP3 210 24.211 3.772 7.805 1.00 0.00 SOLV H ATOM 2661 OH2 TIP3 211 32.470 4.470 6.822 1.00 0.00 SOLV O ATOM 2662 H1 TIP3 211 32.964 4.123 7.597 1.00 0.00 SOLV H ATOM 2663 H2 TIP3 211 33.194 4.854 6.293 1.00 0.00 SOLV H ATOM 2664 OH2 TIP3 212 26.012 8.150 8.888 1.00 0.00 SOLV O ATOM 2665 H1 TIP3 212 26.875 7.746 9.121 1.00 0.00 SOLV H ATOM 2666 H2 TIP3 212 25.661 7.499 8.240 1.00 0.00 SOLV H ATOM 2667 OH2 TIP3 213 37.293 4.978 14.028 1.00 0.00 SOLV O ATOM 2668 H1 TIP3 213 36.517 5.564 13.911 1.00 0.00 SOLV H ATOM 2669 H2 TIP3 213 37.457 5.049 14.981 1.00 0.00 SOLV H ATOM 2670 OH2 TIP3 214 23.378 3.191 12.733 1.00 0.00 SOLV O ATOM 2671 H1 TIP3 214 23.126 3.737 11.956 1.00 0.00 SOLV H ATOM 2672 H2 TIP3 214 22.645 3.416 13.344 1.00 0.00 SOLV H ATOM 2673 OH2 TIP3 215 30.320 12.633 6.023 1.00 0.00 SOLV O ATOM 2674 H1 TIP3 215 30.345 12.877 5.087 1.00 0.00 SOLV H ATOM 2675 H2 TIP3 215 29.943 13.448 6.418 1.00 0.00 SOLV H ATOM 2676 OH2 TIP3 216 26.007 10.939 12.639 1.00 0.00 SOLV O ATOM 2677 H1 TIP3 216 25.474 11.687 12.984 1.00 0.00 SOLV H ATOM 2678 H2 TIP3 216 26.702 11.406 12.127 1.00 0.00 SOLV H ATOM 2679 OH2 TIP3 217 33.753 3.794 9.170 1.00 0.00 SOLV O ATOM 2680 H1 TIP3 217 33.091 3.720 9.886 1.00 0.00 SOLV H ATOM 2681 H2 TIP3 217 34.353 4.471 9.548 1.00 0.00 SOLV H ATOM 2682 OH2 TIP3 218 22.878 4.725 10.538 1.00 0.00 SOLV O ATOM 2683 H1 TIP3 218 23.336 5.467 10.976 1.00 0.00 SOLV H ATOM 2684 H2 TIP3 218 23.512 4.537 9.814 1.00 0.00 SOLV H ATOM 2685 OH2 TIP3 219 24.427 13.005 13.723 1.00 0.00 SOLV O ATOM 2686 H1 TIP3 219 24.378 13.964 13.537 1.00 0.00 SOLV H ATOM 2687 H2 TIP3 219 23.491 12.841 13.963 1.00 0.00 SOLV H ATOM 2688 OH2 TIP3 220 20.155 12.631 4.317 1.00 0.00 SOLV O ATOM 2689 H1 TIP3 220 20.070 13.115 3.471 1.00 0.00 SOLV H ATOM 2690 H2 TIP3 220 20.523 13.317 4.903 1.00 0.00 SOLV H ATOM 2691 OH2 TIP3 221 33.958 14.365 11.167 1.00 0.00 SOLV O ATOM 2692 H1 TIP3 221 32.983 14.382 11.303 1.00 0.00 SOLV H ATOM 2693 H2 TIP3 221 34.131 15.298 10.928 1.00 0.00 SOLV H ATOM 2694 OH2 TIP3 222 34.425 2.643 12.978 1.00 0.00 SOLV O ATOM 2695 H1 TIP3 222 33.641 2.747 12.420 1.00 0.00 SOLV H ATOM 2696 H2 TIP3 222 35.152 2.881 12.362 1.00 0.00 SOLV H ATOM 2697 OH2 TIP3 223 26.915 0.977 9.730 1.00 0.00 SOLV O ATOM 2698 H1 TIP3 223 27.357 0.252 10.219 1.00 0.00 SOLV H ATOM 2699 H2 TIP3 223 26.083 1.074 10.239 1.00 0.00 SOLV H ATOM 2700 OH2 TIP3 224 32.008 15.997 7.381 1.00 0.00 SOLV O ATOM 2701 H1 TIP3 224 32.409 15.116 7.170 1.00 0.00 SOLV H ATOM 2702 H2 TIP3 224 32.826 16.547 7.353 1.00 0.00 SOLV H ATOM 2703 OH2 TIP3 225 33.290 13.750 6.575 1.00 0.00 SOLV O ATOM 2704 H1 TIP3 225 33.265 13.079 5.876 1.00 0.00 SOLV H ATOM 2705 H2 TIP3 225 33.425 13.200 7.378 1.00 0.00 SOLV H ATOM 2706 OH2 TIP3 226 35.039 12.301 14.756 1.00 0.00 SOLV O ATOM 2707 H1 TIP3 226 34.968 11.716 13.970 1.00 0.00 SOLV H ATOM 2708 H2 TIP3 226 35.117 13.185 14.335 1.00 0.00 SOLV H ATOM 2709 OH2 TIP3 227 29.486 9.281 4.762 1.00 0.00 SOLV O ATOM 2710 H1 TIP3 227 28.863 9.995 4.514 1.00 0.00 SOLV H ATOM 2711 H2 TIP3 227 30.087 9.266 3.996 1.00 0.00 SOLV H ATOM 2712 OH2 TIP3 228 29.625 7.596 1.219 1.00 0.00 SOLV O ATOM 2713 H1 TIP3 228 30.276 8.008 1.811 1.00 0.00 SOLV H ATOM 2714 H2 TIP3 228 30.193 7.119 0.586 1.00 0.00 SOLV H ATOM 2715 OH2 TIP3 229 36.822 8.832 12.962 1.00 0.00 SOLV O ATOM 2716 H1 TIP3 229 36.081 9.471 12.882 1.00 0.00 SOLV H ATOM 2717 H2 TIP3 229 37.409 9.162 12.246 1.00 0.00 SOLV H ATOM 2718 OH2 TIP3 230 33.049 9.501 5.373 1.00 0.00 SOLV O ATOM 2719 H1 TIP3 230 32.351 9.706 6.040 1.00 0.00 SOLV H ATOM 2720 H2 TIP3 230 33.707 9.048 5.940 1.00 0.00 SOLV H ATOM 2721 OH2 TIP3 231 32.753 7.601 14.778 1.00 0.00 SOLV O ATOM 2722 H1 TIP3 231 32.703 8.313 15.443 1.00 0.00 SOLV H ATOM 2723 H2 TIP3 231 32.070 7.893 14.140 1.00 0.00 SOLV H ATOM 2724 OH2 TIP3 232 24.600 10.142 7.514 1.00 0.00 SOLV O ATOM 2725 H1 TIP3 232 24.337 9.774 6.644 1.00 0.00 SOLV H ATOM 2726 H2 TIP3 232 25.121 9.411 7.906 1.00 0.00 SOLV H ATOM 2727 OH2 TIP3 233 25.982 13.638 10.171 1.00 0.00 SOLV O ATOM 2728 H1 TIP3 233 25.993 13.542 9.203 1.00 0.00 SOLV H ATOM 2729 H2 TIP3 233 26.700 13.030 10.447 1.00 0.00 SOLV H ATOM 2730 OH2 TIP3 234 24.735 8.878 11.273 1.00 0.00 SOLV O ATOM 2731 H1 TIP3 234 25.199 8.737 10.418 1.00 0.00 SOLV H ATOM 2732 H2 TIP3 234 25.235 9.635 11.649 1.00 0.00 SOLV H ATOM 2733 OH2 TIP3 235 31.332 14.496 11.784 1.00 0.00 SOLV O ATOM 2734 H1 TIP3 235 31.165 15.173 12.464 1.00 0.00 SOLV H ATOM 2735 H2 TIP3 235 30.899 13.700 12.153 1.00 0.00 SOLV H ATOM 2736 OH2 TIP3 236 26.081 13.379 15.863 1.00 0.00 SOLV O ATOM 2737 H1 TIP3 236 25.429 13.995 16.261 1.00 0.00 SOLV H ATOM 2738 H2 TIP3 236 25.575 13.084 15.076 1.00 0.00 SOLV H ATOM 2739 OH2 TIP3 237 31.692 8.714 3.099 1.00 0.00 SOLV O ATOM 2740 H1 TIP3 237 32.188 9.102 3.855 1.00 0.00 SOLV H ATOM 2741 H2 TIP3 237 32.237 9.067 2.350 1.00 0.00 SOLV H ATOM 2742 OH2 TIP3 238 22.834 9.211 15.433 1.00 0.00 SOLV O ATOM 2743 H1 TIP3 238 22.848 10.065 15.906 1.00 0.00 SOLV H ATOM 2744 H2 TIP3 238 22.006 9.297 14.925 1.00 0.00 SOLV H ATOM 2745 OH2 TIP3 239 29.524 15.169 6.701 1.00 0.00 SOLV O ATOM 2746 H1 TIP3 239 30.409 15.484 6.976 1.00 0.00 SOLV H ATOM 2747 H2 TIP3 239 29.219 15.888 6.135 1.00 0.00 SOLV H ATOM 2748 OH2 TIP3 240 24.070 15.162 16.534 1.00 0.00 SOLV O ATOM 2749 H1 TIP3 240 24.038 15.468 15.605 1.00 0.00 SOLV H ATOM 2750 H2 TIP3 240 23.116 15.047 16.745 1.00 0.00 SOLV H ATOM 2751 OH2 TIP3 241 35.514 0.646 2.817 1.00 0.00 SOLV O ATOM 2752 H1 TIP3 241 34.694 1.077 3.104 1.00 0.00 SOLV H ATOM 2753 H2 TIP3 241 36.042 1.396 2.473 1.00 0.00 SOLV H ATOM 2754 OH2 TIP3 242 23.738 9.312 4.928 1.00 0.00 SOLV O ATOM 2755 H1 TIP3 242 23.167 9.901 4.389 1.00 0.00 SOLV H ATOM 2756 H2 TIP3 242 23.179 8.533 5.026 1.00 0.00 SOLV H ATOM 2757 OH2 TIP3 243 36.737 14.942 1.639 1.00 0.00 SOLV O ATOM 2758 H1 TIP3 243 37.107 15.825 1.491 1.00 0.00 SOLV H ATOM 2759 H2 TIP3 243 37.531 14.373 1.630 1.00 0.00 SOLV H ATOM 2760 OH2 TIP3 244 19.587 11.695 13.947 1.00 0.00 SOLV O ATOM 2761 H1 TIP3 244 19.086 11.771 13.105 1.00 0.00 SOLV H ATOM 2762 H2 TIP3 244 19.757 10.732 13.999 1.00 0.00 SOLV H ATOM 2763 OH2 TIP3 245 19.511 14.526 10.523 1.00 0.00 SOLV O ATOM 2764 H1 TIP3 245 20.397 14.144 10.579 1.00 0.00 SOLV H ATOM 2765 H2 TIP3 245 19.474 15.056 11.334 1.00 0.00 SOLV H ATOM 2766 OH2 TIP3 246 37.644 15.168 16.697 1.00 0.00 SOLV O ATOM 2767 H1 TIP3 246 37.456 14.212 16.633 1.00 0.00 SOLV H ATOM 2768 H2 TIP3 246 36.763 15.502 16.976 1.00 0.00 SOLV H ATOM 2769 OH2 TIP3 247 28.477 14.518 15.256 1.00 0.00 SOLV O ATOM 2770 H1 TIP3 247 28.444 15.364 15.752 1.00 0.00 SOLV H ATOM 2771 H2 TIP3 247 27.603 14.134 15.492 1.00 0.00 SOLV H ATOM 2772 OH2 TIP3 248 29.276 18.162 5.077 1.00 0.00 SOLV O ATOM 2773 H1 TIP3 248 29.017 18.280 4.149 1.00 0.00 SOLV H ATOM 2774 H2 TIP3 248 28.993 19.003 5.482 1.00 0.00 SOLV H ATOM 2775 OH2 TIP3 249 22.655 17.059 7.083 1.00 0.00 SOLV O ATOM 2776 H1 TIP3 249 22.813 16.715 7.989 1.00 0.00 SOLV H ATOM 2777 H2 TIP3 249 22.178 16.309 6.673 1.00 0.00 SOLV H ATOM 2778 OH2 TIP3 250 31.819 17.733 2.182 1.00 0.00 SOLV O ATOM 2779 H1 TIP3 250 32.396 17.092 1.711 1.00 0.00 SOLV H ATOM 2780 H2 TIP3 250 31.994 17.494 3.113 1.00 0.00 SOLV H ATOM 2781 OH2 TIP3 251 31.899 17.492 4.914 1.00 0.00 SOLV O ATOM 2782 H1 TIP3 251 30.933 17.629 5.029 1.00 0.00 SOLV H ATOM 2783 H2 TIP3 251 32.087 16.871 5.640 1.00 0.00 SOLV H ATOM 2784 OH2 TIP3 252 34.640 6.433 16.901 1.00 0.00 SOLV O ATOM 2785 H1 TIP3 252 33.970 6.722 16.263 1.00 0.00 SOLV H ATOM 2786 H2 TIP3 252 34.740 5.488 16.660 1.00 0.00 SOLV H ATOM 2787 OH2 TIP3 253 21.840 13.069 14.682 1.00 0.00 SOLV O ATOM 2788 H1 TIP3 253 22.036 12.630 15.532 1.00 0.00 SOLV H ATOM 2789 H2 TIP3 253 21.032 12.592 14.394 1.00 0.00 SOLV H ATOM 2790 OH2 TIP3 254 24.516 1.098 11.275 1.00 0.00 SOLV O ATOM 2791 H1 TIP3 254 23.737 1.108 10.681 1.00 0.00 SOLV H ATOM 2792 H2 TIP3 254 24.245 1.826 11.874 1.00 0.00 SOLV H ATOM 2793 OH2 TIP3 255 29.242 1.652 14.475 1.00 0.00 SOLV O ATOM 2794 H1 TIP3 255 29.534 0.732 14.409 1.00 0.00 SOLV H ATOM 2795 H2 TIP3 255 28.272 1.539 14.516 1.00 0.00 SOLV H ATOM 2796 OH2 TIP3 256 32.326 4.906 15.117 1.00 0.00 SOLV O ATOM 2797 H1 TIP3 256 31.645 4.824 15.826 1.00 0.00 SOLV H ATOM 2798 H2 TIP3 256 32.357 5.871 14.954 1.00 0.00 SOLV H ATOM 2799 OH2 TIP3 257 33.293 9.616 1.147 1.00 0.00 SOLV O ATOM 2800 H1 TIP3 257 32.976 9.722 0.220 1.00 0.00 SOLV H ATOM 2801 H2 TIP3 257 34.214 9.920 1.047 1.00 0.00 SOLV H ATOM 2802 OH2 TIP3 258 28.963 3.468 1.693 1.00 0.00 SOLV O ATOM 2803 H1 TIP3 258 28.429 3.309 2.498 1.00 0.00 SOLV H ATOM 2804 H2 TIP3 258 28.313 3.308 1.002 1.00 0.00 SOLV H ATOM 2805 OH2 TIP3 259 24.609 6.329 12.172 1.00 0.00 SOLV O ATOM 2806 H1 TIP3 259 23.889 6.427 12.830 1.00 0.00 SOLV H ATOM 2807 H2 TIP3 259 24.701 7.257 11.863 1.00 0.00 SOLV H ATOM 2808 OH2 TIP3 260 24.760 6.568 7.054 1.00 0.00 SOLV O ATOM 2809 H1 TIP3 260 23.791 6.521 6.885 1.00 0.00 SOLV H ATOM 2810 H2 TIP3 260 25.075 6.223 6.190 1.00 0.00 SOLV H ATOM 2811 OH2 TIP3 261 30.181 6.832 5.846 1.00 0.00 SOLV O ATOM 2812 H1 TIP3 261 29.923 7.708 5.483 1.00 0.00 SOLV H ATOM 2813 H2 TIP3 261 30.818 6.519 5.172 1.00 0.00 SOLV H ATOM 2814 OH2 TIP3 262 29.278 7.068 17.058 1.00 0.00 SOLV O ATOM 2815 H1 TIP3 262 28.788 6.293 17.412 1.00 0.00 SOLV H ATOM 2816 H2 TIP3 262 30.129 6.960 17.527 1.00 0.00 SOLV H ATOM 2817 OH2 TIP3 263 31.041 6.299 8.429 1.00 0.00 SOLV O ATOM 2818 H1 TIP3 263 30.636 6.817 7.701 1.00 0.00 SOLV H ATOM 2819 H2 TIP3 263 31.417 5.575 7.887 1.00 0.00 SOLV H ATOM 2820 OH2 TIP3 264 22.395 6.580 13.749 1.00 0.00 SOLV O ATOM 2821 H1 TIP3 264 22.597 6.993 14.601 1.00 0.00 SOLV H ATOM 2822 H2 TIP3 264 21.949 5.749 14.018 1.00 0.00 SOLV H ATOM 2823 OH2 TIP3 265 25.102 3.633 0.145 1.00 0.00 SOLV O ATOM 2824 H1 TIP3 265 25.043 3.600 1.118 1.00 0.00 SOLV H ATOM 2825 H2 TIP3 265 25.047 4.594 -0.021 1.00 0.00 SOLV H ATOM 2826 OH2 TIP3 266 19.313 3.452 7.407 1.00 0.00 SOLV O ATOM 2827 H1 TIP3 266 19.319 3.529 8.383 1.00 0.00 SOLV H ATOM 2828 H2 TIP3 266 19.956 4.141 7.203 1.00 0.00 SOLV H ATOM 2829 OH2 TIP3 267 20.099 4.437 3.374 1.00 0.00 SOLV O ATOM 2830 H1 TIP3 267 20.827 4.821 2.857 1.00 0.00 SOLV H ATOM 2831 H2 TIP3 267 19.542 5.234 3.526 1.00 0.00 SOLV H ATOM 2832 OH2 TIP3 268 30.375 7.847 13.004 1.00 0.00 SOLV O ATOM 2833 H1 TIP3 268 30.754 7.218 12.344 1.00 0.00 SOLV H ATOM 2834 H2 TIP3 268 29.755 7.251 13.477 1.00 0.00 SOLV H ATOM 2835 OH2 TIP3 269 27.504 4.228 8.037 1.00 0.00 SOLV O ATOM 2836 H1 TIP3 269 26.581 4.159 8.351 1.00 0.00 SOLV H ATOM 2837 H2 TIP3 269 27.998 3.762 8.739 1.00 0.00 SOLV H ATOM 2838 OH2 TIP3 270 22.227 5.875 6.476 1.00 0.00 SOLV O ATOM 2839 H1 TIP3 270 21.403 6.009 6.966 1.00 0.00 SOLV H ATOM 2840 H2 TIP3 270 22.283 4.918 6.326 1.00 0.00 SOLV H ATOM 2841 OH2 TIP3 271 25.401 5.453 4.673 1.00 0.00 SOLV O ATOM 2842 H1 TIP3 271 26.377 5.522 4.749 1.00 0.00 SOLV H ATOM 2843 H2 TIP3 271 25.187 6.106 3.966 1.00 0.00 SOLV H ATOM 2844 OH2 TIP3 272 31.608 3.365 11.029 1.00 0.00 SOLV O ATOM 2845 H1 TIP3 272 31.189 3.436 11.918 1.00 0.00 SOLV H ATOM 2846 H2 TIP3 272 30.845 3.036 10.515 1.00 0.00 SOLV H ATOM 2847 OH2 TIP3 273 24.531 6.946 2.621 1.00 0.00 SOLV O ATOM 2848 H1 TIP3 273 23.691 6.774 2.176 1.00 0.00 SOLV H ATOM 2849 H2 TIP3 273 25.147 7.111 1.882 1.00 0.00 SOLV H ATOM 2850 OH2 TIP3 274 34.958 18.911 17.653 1.00 0.00 SOLV O ATOM 2851 H1 TIP3 274 35.200 19.236 16.758 1.00 0.00 SOLV H ATOM 2852 H2 TIP3 274 35.756 19.187 18.151 1.00 0.00 SOLV H ATOM 2853 OH2 TIP3 275 22.604 11.556 17.042 1.00 0.00 SOLV O ATOM 2854 H1 TIP3 275 23.299 11.576 17.727 1.00 0.00 SOLV H ATOM 2855 H2 TIP3 275 21.803 11.516 17.594 1.00 0.00 SOLV H ATOM 2856 OH2 TIP3 276 28.316 6.895 9.887 1.00 0.00 SOLV O ATOM 2857 H1 TIP3 276 28.998 6.381 9.430 1.00 0.00 SOLV H ATOM 2858 H2 TIP3 276 27.990 6.259 10.553 1.00 0.00 SOLV H ATOM 2859 OH2 TIP3 277 23.292 3.052 6.448 1.00 0.00 SOLV O ATOM 2860 H1 TIP3 277 22.936 2.189 6.733 1.00 0.00 SOLV H ATOM 2861 H2 TIP3 277 24.085 2.786 5.958 1.00 0.00 SOLV H ATOM 2862 OH2 TIP3 278 27.196 5.420 12.229 1.00 0.00 SOLV O ATOM 2863 H1 TIP3 278 26.306 5.832 12.241 1.00 0.00 SOLV H ATOM 2864 H2 TIP3 278 27.642 5.835 12.995 1.00 0.00 SOLV H ATOM 2865 OH2 TIP3 279 27.663 11.301 3.987 1.00 0.00 SOLV O ATOM 2866 H1 TIP3 279 26.918 10.841 3.542 1.00 0.00 SOLV H ATOM 2867 H2 TIP3 279 27.249 11.512 4.861 1.00 0.00 SOLV H ATOM 2868 OH2 TIP3 280 34.813 10.677 12.525 1.00 0.00 SOLV O ATOM 2869 H1 TIP3 280 35.333 11.287 11.963 1.00 0.00 SOLV H ATOM 2870 H2 TIP3 280 34.033 10.486 11.958 1.00 0.00 SOLV H ATOM 2871 OH2 TIP3 281 31.647 3.999 2.041 1.00 0.00 SOLV O ATOM 2872 H1 TIP3 281 30.683 3.899 1.878 1.00 0.00 SOLV H ATOM 2873 H2 TIP3 281 31.692 4.832 2.543 1.00 0.00 SOLV H ATOM 2874 OH2 TIP3 282 29.108 11.690 15.111 1.00 0.00 SOLV O ATOM 2875 H1 TIP3 282 29.339 11.354 15.986 1.00 0.00 SOLV H ATOM 2876 H2 TIP3 282 28.915 12.627 15.282 1.00 0.00 SOLV H ATOM 2877 OH2 TIP3 283 32.094 6.082 3.939 1.00 0.00 SOLV O ATOM 2878 H1 TIP3 283 32.994 6.017 4.308 1.00 0.00 SOLV H ATOM 2879 H2 TIP3 283 32.074 6.997 3.586 1.00 0.00 SOLV H ATOM 2880 OH2 TIP3 284 23.047 11.048 9.636 1.00 0.00 SOLV O ATOM 2881 H1 TIP3 284 23.570 10.766 8.857 1.00 0.00 SOLV H ATOM 2882 H2 TIP3 284 22.747 10.204 9.993 1.00 0.00 SOLV H ATOM 2883 OH2 TIP3 285 29.808 12.775 3.119 1.00 0.00 SOLV O ATOM 2884 H1 TIP3 285 29.453 13.681 3.287 1.00 0.00 SOLV H ATOM 2885 H2 TIP3 285 29.050 12.233 3.437 1.00 0.00 SOLV H ATOM 2886 OH2 TIP3 286 19.936 9.126 15.046 1.00 0.00 SOLV O ATOM 2887 H1 TIP3 286 19.749 8.649 15.874 1.00 0.00 SOLV H ATOM 2888 H2 TIP3 286 19.293 8.724 14.431 1.00 0.00 SOLV H ATOM 2889 OH2 TIP3 287 27.094 8.815 17.233 1.00 0.00 SOLV O ATOM 2890 H1 TIP3 287 26.527 8.458 16.530 1.00 0.00 SOLV H ATOM 2891 H2 TIP3 287 27.935 8.341 17.052 1.00 0.00 SOLV H ATOM 2892 OH2 TIP3 288 31.272 14.094 15.190 1.00 0.00 SOLV O ATOM 2893 H1 TIP3 288 30.322 14.266 15.062 1.00 0.00 SOLV H ATOM 2894 H2 TIP3 288 31.392 14.417 16.107 1.00 0.00 SOLV H ATOM 2895 OH2 TIP3 289 37.037 6.617 3.699 1.00 0.00 SOLV O ATOM 2896 H1 TIP3 289 36.547 6.429 2.861 1.00 0.00 SOLV H ATOM 2897 H2 TIP3 289 37.167 7.581 3.540 1.00 0.00 SOLV H ATOM 2898 OH2 TIP3 290 37.264 12.299 16.335 1.00 0.00 SOLV O ATOM 2899 H1 TIP3 290 36.350 12.413 15.993 1.00 0.00 SOLV H ATOM 2900 H2 TIP3 290 37.734 12.122 15.489 1.00 0.00 SOLV H ATOM 2901 OH2 TIP3 291 35.540 15.094 4.105 1.00 0.00 SOLV O ATOM 2902 H1 TIP3 291 34.868 14.417 4.265 1.00 0.00 SOLV H ATOM 2903 H2 TIP3 291 35.807 14.913 3.179 1.00 0.00 SOLV H ATOM 2904 OH2 TIP3 292 32.648 10.012 10.837 1.00 0.00 SOLV O ATOM 2905 H1 TIP3 292 31.682 9.915 10.724 1.00 0.00 SOLV H ATOM 2906 H2 TIP3 292 32.963 9.242 10.322 1.00 0.00 SOLV H ATOM 2907 OH2 TIP3 293 25.347 14.321 7.229 1.00 0.00 SOLV O ATOM 2908 H1 TIP3 293 25.533 15.202 6.854 1.00 0.00 SOLV H ATOM 2909 H2 TIP3 293 24.413 14.210 7.020 1.00 0.00 SOLV H ATOM 2910 OH2 TIP3 294 21.058 8.917 1.775 1.00 0.00 SOLV O ATOM 2911 H1 TIP3 294 21.522 9.622 2.272 1.00 0.00 SOLV H ATOM 2912 H2 TIP3 294 20.147 9.009 2.130 1.00 0.00 SOLV H ATOM 2913 OH2 TIP3 295 26.341 11.907 6.256 1.00 0.00 SOLV O ATOM 2914 H1 TIP3 295 26.144 12.775 6.657 1.00 0.00 SOLV H ATOM 2915 H2 TIP3 295 25.763 11.316 6.778 1.00 0.00 SOLV H ATOM 2916 OH2 TIP3 296 27.142 16.129 12.994 1.00 0.00 SOLV O ATOM 2917 H1 TIP3 296 27.780 16.846 12.788 1.00 0.00 SOLV H ATOM 2918 H2 TIP3 296 27.709 15.511 13.482 1.00 0.00 SOLV H ATOM 2919 OH2 TIP3 297 25.246 17.084 6.111 1.00 0.00 SOLV O ATOM 2920 H1 TIP3 297 24.320 17.217 6.398 1.00 0.00 SOLV H ATOM 2921 H2 TIP3 297 25.665 17.908 6.446 1.00 0.00 SOLV H ATOM 2922 OH2 TIP3 298 30.315 12.029 12.680 1.00 0.00 SOLV O ATOM 2923 H1 TIP3 298 29.929 11.827 13.561 1.00 0.00 SOLV H ATOM 2924 H2 TIP3 298 31.010 11.360 12.618 1.00 0.00 SOLV H ATOM 2925 OH2 TIP3 299 32.632 13.178 2.107 1.00 0.00 SOLV O ATOM 2926 H1 TIP3 299 33.217 12.683 2.710 1.00 0.00 SOLV H ATOM 2927 H2 TIP3 299 31.768 13.024 2.517 1.00 0.00 SOLV H ATOM 2928 OH2 TIP3 300 33.333 16.488 14.946 1.00 0.00 SOLV O ATOM 2929 H1 TIP3 300 32.486 16.137 14.607 1.00 0.00 SOLV H ATOM 2930 H2 TIP3 300 33.447 17.274 14.367 1.00 0.00 SOLV H ATOM 2931 OH2 TIP3 301 37.563 17.728 1.820 1.00 0.00 SOLV O ATOM 2932 H1 TIP3 301 38.132 18.456 2.150 1.00 0.00 SOLV H ATOM 2933 H2 TIP3 301 36.692 18.054 2.145 1.00 0.00 SOLV H ATOM 2934 OH2 TIP3 302 21.319 3.991 14.407 1.00 0.00 SOLV O ATOM 2935 H1 TIP3 302 20.405 3.883 14.080 1.00 0.00 SOLV H ATOM 2936 H2 TIP3 302 21.349 3.261 15.053 1.00 0.00 SOLV H ATOM 2937 OH2 TIP3 303 33.977 11.868 4.227 1.00 0.00 SOLV O ATOM 2938 H1 TIP3 303 33.581 11.050 4.589 1.00 0.00 SOLV H ATOM 2939 H2 TIP3 303 34.925 11.620 4.241 1.00 0.00 SOLV H ATOM 2940 OH2 TIP3 304 21.100 15.607 12.807 1.00 0.00 SOLV O ATOM 2941 H1 TIP3 304 21.435 14.736 13.081 1.00 0.00 SOLV H ATOM 2942 H2 TIP3 304 21.429 16.167 13.522 1.00 0.00 SOLV H ATOM 2943 OH2 TIP3 305 26.957 14.222 0.345 1.00 0.00 SOLV O ATOM 2944 H1 TIP3 305 27.027 13.411 -0.187 1.00 0.00 SOLV H ATOM 2945 H2 TIP3 305 26.408 13.944 1.106 1.00 0.00 SOLV H ATOM 2946 OH2 TIP3 306 25.621 13.835 2.812 1.00 0.00 SOLV O ATOM 2947 H1 TIP3 306 26.170 13.311 3.412 1.00 0.00 SOLV H ATOM 2948 H2 TIP3 306 25.802 14.747 3.129 1.00 0.00 SOLV H ATOM 2949 OH2 TIP3 307 22.125 10.945 3.337 1.00 0.00 SOLV O ATOM 2950 H1 TIP3 307 21.400 11.411 3.806 1.00 0.00 SOLV H ATOM 2951 H2 TIP3 307 22.536 11.699 2.867 1.00 0.00 SOLV H ATOM 2952 OH2 TIP3 308 30.469 3.851 13.456 1.00 0.00 SOLV O ATOM 2953 H1 TIP3 308 31.202 4.080 14.066 1.00 0.00 SOLV H ATOM 2954 H2 TIP3 308 30.045 3.086 13.911 1.00 0.00 SOLV H ATOM 2955 OH2 TIP3 309 30.940 3.024 4.915 1.00 0.00 SOLV O ATOM 2956 H1 TIP3 309 31.108 3.404 4.037 1.00 0.00 SOLV H ATOM 2957 H2 TIP3 309 31.363 3.683 5.504 1.00 0.00 SOLV H ATOM 2958 OH2 TIP3 310 28.696 15.204 3.408 1.00 0.00 SOLV O ATOM 2959 H1 TIP3 310 27.868 15.662 3.650 1.00 0.00 SOLV H ATOM 2960 H2 TIP3 310 28.816 15.502 2.485 1.00 0.00 SOLV H ATOM 2961 OH2 TIP3 311 28.000 5.186 5.510 1.00 0.00 SOLV O ATOM 2962 H1 TIP3 311 28.756 5.795 5.650 1.00 0.00 SOLV H ATOM 2963 H2 TIP3 311 27.810 4.916 6.436 1.00 0.00 SOLV H ATOM 2964 OH2 TIP3 312 28.832 6.109 14.430 1.00 0.00 SOLV O ATOM 2965 H1 TIP3 312 28.996 6.352 15.364 1.00 0.00 SOLV H ATOM 2966 H2 TIP3 312 29.255 5.235 14.355 1.00 0.00 SOLV H ATOM 2967 OH2 TIP3 313 28.661 2.227 6.203 1.00 0.00 SOLV O ATOM 2968 H1 TIP3 313 28.779 2.871 6.919 1.00 0.00 SOLV H ATOM 2969 H2 TIP3 313 29.495 2.359 5.701 1.00 0.00 SOLV H ATOM 2970 OH2 TIP3 314 26.224 16.364 3.674 1.00 0.00 SOLV O ATOM 2971 H1 TIP3 314 26.185 17.224 3.200 1.00 0.00 SOLV H ATOM 2972 H2 TIP3 314 25.864 16.618 4.555 1.00 0.00 SOLV H ATOM 2973 OH2 TIP3 315 24.790 3.377 2.956 1.00 0.00 SOLV O ATOM 2974 H1 TIP3 315 24.717 4.152 3.555 1.00 0.00 SOLV H ATOM 2975 H2 TIP3 315 25.686 3.079 3.233 1.00 0.00 SOLV H ATOM 2976 OH2 TIP3 316 34.814 3.972 15.572 1.00 0.00 SOLV O ATOM 2977 H1 TIP3 316 33.858 4.152 15.444 1.00 0.00 SOLV H ATOM 2978 H2 TIP3 316 35.018 3.612 14.694 1.00 0.00 SOLV H ATOM 2979 OH2 TIP3 317 33.418 7.678 9.402 1.00 0.00 SOLV O ATOM 2980 H1 TIP3 317 32.558 7.250 9.240 1.00 0.00 SOLV H ATOM 2981 H2 TIP3 317 33.880 7.005 9.947 1.00 0.00 SOLV H ATOM 2982 OH2 TIP3 318 22.999 13.241 1.956 1.00 0.00 SOLV O ATOM 2983 H1 TIP3 318 23.825 13.558 2.378 1.00 0.00 SOLV H ATOM 2984 H2 TIP3 318 23.415 12.684 1.259 1.00 0.00 SOLV H ATOM 2985 OH2 TIP3 319 21.554 6.324 1.241 1.00 0.00 SOLV O ATOM 2986 H1 TIP3 319 21.385 7.261 1.498 1.00 0.00 SOLV H ATOM 2987 H2 TIP3 319 20.809 6.163 0.649 1.00 0.00 SOLV H ATOM 2988 OH2 TIP3 320 34.669 17.064 11.053 1.00 0.00 SOLV O ATOM 2989 H1 TIP3 320 34.539 17.744 10.354 1.00 0.00 SOLV H ATOM 2990 H2 TIP3 320 35.647 17.098 11.152 1.00 0.00 SOLV H ATOM 2991 OH2 TIP3 321 22.078 0.949 9.847 1.00 0.00 SOLV O ATOM 2992 H1 TIP3 321 21.994 1.045 8.880 1.00 0.00 SOLV H ATOM 2993 H2 TIP3 321 22.178 -0.023 9.909 1.00 0.00 SOLV H ATOM 2994 OH2 TIP3 322 20.996 15.080 5.785 1.00 0.00 SOLV O ATOM 2995 H1 TIP3 322 20.257 15.232 6.389 1.00 0.00 SOLV H ATOM 2996 H2 TIP3 322 20.803 15.707 5.047 1.00 0.00 SOLV H ATOM 2997 OH2 TIP3 323 20.370 17.928 17.609 1.00 0.00 SOLV O ATOM 2998 H1 TIP3 323 21.073 17.691 18.259 1.00 0.00 SOLV H ATOM 2999 H2 TIP3 323 20.118 17.046 17.292 1.00 0.00 SOLV H ATOM 3000 OH2 TIP3 324 24.597 16.320 18.965 1.00 0.00 SOLV O ATOM 3001 H1 TIP3 324 25.485 16.020 19.205 1.00 0.00 SOLV H ATOM 3002 H2 TIP3 324 24.484 15.881 18.095 1.00 0.00 SOLV H ATOM 3003 OH2 TIP3 325 28.995 15.960 0.764 1.00 0.00 SOLV O ATOM 3004 H1 TIP3 325 28.325 15.292 0.493 1.00 0.00 SOLV H ATOM 3005 H2 TIP3 325 29.793 15.634 0.287 1.00 0.00 SOLV H ATOM 3006 OH2 TIP3 326 31.279 14.866 17.839 1.00 0.00 SOLV O ATOM 3007 H1 TIP3 326 31.002 14.042 18.307 1.00 0.00 SOLV H ATOM 3008 H2 TIP3 326 32.050 15.147 18.372 1.00 0.00 SOLV H ATOM 3009 OH2 TIP3 327 33.397 15.829 0.950 1.00 0.00 SOLV O ATOM 3010 H1 TIP3 327 33.729 14.950 1.200 1.00 0.00 SOLV H ATOM 3011 H2 TIP3 327 33.976 16.076 0.204 1.00 0.00 SOLV H ATOM 3012 OH2 TIP3 328 20.110 11.370 18.343 1.00 0.00 SOLV O ATOM 3013 H1 TIP3 328 20.220 10.431 18.076 1.00 0.00 SOLV H ATOM 3014 H2 TIP3 328 19.485 11.698 17.659 1.00 0.00 SOLV H ATOM 3015 OH2 TIP3 329 24.643 11.552 0.672 1.00 0.00 SOLV O ATOM 3016 H1 TIP3 329 25.063 11.020 1.383 1.00 0.00 SOLV H ATOM 3017 H2 TIP3 329 25.357 11.676 0.043 1.00 0.00 SOLV H ATOM 3018 OH2 TIP3 330 26.633 11.588 17.865 1.00 0.00 SOLV O ATOM 3019 H1 TIP3 330 26.556 12.073 17.015 1.00 0.00 SOLV H ATOM 3020 H2 TIP3 330 26.888 10.688 17.572 1.00 0.00 SOLV H ATOM 3021 OH2 TIP3 331 29.903 12.350 0.351 1.00 0.00 SOLV O ATOM 3022 H1 TIP3 331 29.833 12.474 1.321 1.00 0.00 SOLV H ATOM 3023 H2 TIP3 331 30.469 11.564 0.296 1.00 0.00 SOLV H ATOM 3024 OH2 TIP3 332 32.455 11.576 15.397 1.00 0.00 SOLV O ATOM 3025 H1 TIP3 332 33.380 11.852 15.239 1.00 0.00 SOLV H ATOM 3026 H2 TIP3 332 31.985 12.416 15.219 1.00 0.00 SOLV H ATOM 3027 OH2 TIP3 333 21.023 8.797 17.901 1.00 0.00 SOLV O ATOM 3028 H1 TIP3 333 21.843 8.527 17.462 1.00 0.00 SOLV H ATOM 3029 H2 TIP3 333 21.248 8.734 18.849 1.00 0.00 SOLV H ATOM 3030 OH2 TIP3 334 25.639 9.935 2.698 1.00 0.00 SOLV O ATOM 3031 H1 TIP3 334 25.049 9.538 3.366 1.00 0.00 SOLV H ATOM 3032 H2 TIP3 334 26.009 9.138 2.262 1.00 0.00 SOLV H ATOM 3033 OH2 TIP3 335 25.019 7.575 15.270 1.00 0.00 SOLV O ATOM 3034 H1 TIP3 335 24.317 8.259 15.228 1.00 0.00 SOLV H ATOM 3035 H2 TIP3 335 25.721 7.978 14.705 1.00 0.00 SOLV H ATOM 3036 OH2 TIP3 336 26.829 7.875 1.177 1.00 0.00 SOLV O ATOM 3037 H1 TIP3 336 26.769 8.124 0.241 1.00 0.00 SOLV H ATOM 3038 H2 TIP3 336 27.798 7.735 1.279 1.00 0.00 SOLV H ATOM 3039 OH2 TIP3 337 30.108 10.199 18.546 1.00 0.00 SOLV O ATOM 3040 H1 TIP3 337 30.874 9.766 18.147 1.00 0.00 SOLV H ATOM 3041 H2 TIP3 337 29.736 9.480 19.091 1.00 0.00 SOLV H ATOM 3042 OH2 TIP3 338 35.966 10.147 0.511 1.00 0.00 SOLV O ATOM 3043 H1 TIP3 338 36.044 9.770 -0.376 1.00 0.00 SOLV H ATOM 3044 H2 TIP3 338 36.305 11.051 0.344 1.00 0.00 SOLV H ATOM 3045 OH2 TIP3 339 25.517 5.112 16.173 1.00 0.00 SOLV O ATOM 3046 H1 TIP3 339 25.624 4.529 15.392 1.00 0.00 SOLV H ATOM 3047 H2 TIP3 339 25.369 5.985 15.736 1.00 0.00 SOLV H ATOM 3048 OH2 TIP3 340 25.823 3.532 13.911 1.00 0.00 SOLV O ATOM 3049 H1 TIP3 340 26.355 4.013 13.247 1.00 0.00 SOLV H ATOM 3050 H2 TIP3 340 24.946 3.496 13.469 1.00 0.00 SOLV H ATOM 3051 OH2 TIP3 341 27.003 8.774 13.987 1.00 0.00 SOLV O ATOM 3052 H1 TIP3 341 27.960 8.828 13.883 1.00 0.00 SOLV H ATOM 3053 H2 TIP3 341 26.696 9.579 13.515 1.00 0.00 SOLV H ATOM 3054 OH2 TIP3 342 31.524 6.634 18.742 1.00 0.00 SOLV O ATOM 3055 H1 TIP3 342 31.787 5.704 18.823 1.00 0.00 SOLV H ATOM 3056 H2 TIP3 342 32.382 7.077 18.665 1.00 0.00 SOLV H ATOM 3057 OH2 TIP3 343 32.956 9.470 17.015 1.00 0.00 SOLV O ATOM 3058 H1 TIP3 343 32.661 10.249 16.486 1.00 0.00 SOLV H ATOM 3059 H2 TIP3 343 33.931 9.567 16.929 1.00 0.00 SOLV H ATOM 3060 OH2 TIP3 344 23.918 5.827 18.385 1.00 0.00 SOLV O ATOM 3061 H1 TIP3 344 23.130 5.279 18.185 1.00 0.00 SOLV H ATOM 3062 H2 TIP3 344 24.405 5.774 17.538 1.00 0.00 SOLV H ATOM 3063 OH2 TIP3 345 26.546 0.955 14.576 1.00 0.00 SOLV O ATOM 3064 H1 TIP3 345 26.276 1.888 14.417 1.00 0.00 SOLV H ATOM 3065 H2 TIP3 345 25.889 0.472 14.063 1.00 0.00 SOLV H ATOM 3066 OH2 TIP3 346 27.795 4.883 17.726 1.00 0.00 SOLV O ATOM 3067 H1 TIP3 346 27.403 4.466 18.512 1.00 0.00 SOLV H ATOM 3068 H2 TIP3 346 27.007 4.919 17.142 1.00 0.00 SOLV H ATOM 3069 OH2 TIP3 347 30.446 4.297 16.934 1.00 0.00 SOLV O ATOM 3070 H1 TIP3 347 29.531 4.263 17.275 1.00 0.00 SOLV H ATOM 3071 H2 TIP3 347 30.904 3.641 17.500 1.00 0.00 SOLV H ATOM 3072 OH2 TIP3 348 32.009 2.802 18.710 1.00 0.00 SOLV O ATOM 3073 H1 TIP3 348 31.962 1.871 18.950 1.00 0.00 SOLV H ATOM 3074 H2 TIP3 348 31.861 3.238 19.578 1.00 0.00 SOLV H ATOM 3075 OH2 TIP3 349 21.804 4.098 18.074 1.00 0.00 SOLV O ATOM 3076 H1 TIP3 349 21.801 3.314 17.480 1.00 0.00 SOLV H ATOM 3077 H2 TIP3 349 21.880 3.661 18.949 1.00 0.00 SOLV H ATOM 3078 OH2 TIP3 350 27.538 1.915 18.854 1.00 0.00 SOLV O ATOM 3079 H1 TIP3 350 27.240 1.060 18.513 1.00 0.00 SOLV H ATOM 3080 H2 TIP3 350 26.724 2.455 18.891 1.00 0.00 SOLV H ATOM 3081 OH2 TIP3 351 26.512 18.721 2.253 1.00 0.00 SOLV O ATOM 3082 H1 TIP3 351 27.489 18.653 2.178 1.00 0.00 SOLV H ATOM 3083 H2 TIP3 351 26.290 19.238 1.474 1.00 0.00 SOLV H ATOM 3084 OH2 TIP3 352 20.221 13.531 1.668 1.00 0.00 SOLV O ATOM 3085 H1 TIP3 352 21.204 13.534 1.655 1.00 0.00 SOLV H ATOM 3086 H2 TIP3 352 20.002 12.843 1.020 1.00 0.00 SOLV H ATOM 3087 OH2 TIP3 353 19.174 18.611 6.771 1.00 0.00 SOLV O ATOM 3088 H1 TIP3 353 18.580 18.223 6.090 1.00 0.00 SOLV H ATOM 3089 H2 TIP3 353 19.336 17.819 7.330 1.00 0.00 SOLV H ATOM 3090 OH2 TIP3 354 19.651 16.486 8.465 1.00 0.00 SOLV O ATOM 3091 H1 TIP3 354 19.264 15.731 8.950 1.00 0.00 SOLV H ATOM 3092 H2 TIP3 354 20.158 16.895 9.187 1.00 0.00 SOLV H ATOM 3093 OH2 TIP3 355 37.330 17.369 11.603 1.00 0.00 SOLV O ATOM 3094 H1 TIP3 355 37.257 17.430 12.576 1.00 0.00 SOLV H ATOM 3095 H2 TIP3 355 38.095 17.935 11.427 1.00 0.00 SOLV H ATOM 3096 OH2 TIP3 356 36.788 16.963 14.303 1.00 0.00 SOLV O ATOM 3097 H1 TIP3 356 36.265 16.185 14.011 1.00 0.00 SOLV H ATOM 3098 H2 TIP3 356 37.296 16.565 15.027 1.00 0.00 SOLV H ATOM 3099 OH2 TIP3 357 35.265 12.786 19.156 1.00 0.00 SOLV O ATOM 3100 H1 TIP3 357 34.432 12.900 19.657 1.00 0.00 SOLV H ATOM 3101 H2 TIP3 357 35.798 13.535 19.489 1.00 0.00 SOLV H ATOM 3102 OH2 TIP3 358 36.637 11.045 4.501 1.00 0.00 SOLV O ATOM 3103 H1 TIP3 358 37.396 11.661 4.534 1.00 0.00 SOLV H ATOM 3104 H2 TIP3 358 36.825 10.461 5.268 1.00 0.00 SOLV H ATOM 3105 OH2 TIP3 359 37.130 9.107 6.423 1.00 0.00 SOLV O ATOM 3106 H1 TIP3 359 36.251 8.774 6.712 1.00 0.00 SOLV H ATOM 3107 H2 TIP3 359 37.600 9.228 7.274 1.00 0.00 SOLV H ATOM 3108 OH2 TIP3 360 37.044 12.065 11.569 1.00 0.00 SOLV O ATOM 3109 H1 TIP3 360 37.561 11.360 11.128 1.00 0.00 SOLV H ATOM 3110 H2 TIP3 360 37.321 12.865 11.079 1.00 0.00 SOLV H ATOM 3111 OH2 TIP3 361 35.159 14.823 13.645 1.00 0.00 SOLV O ATOM 3112 H1 TIP3 361 34.409 15.302 14.051 1.00 0.00 SOLV H ATOM 3113 H2 TIP3 361 34.829 14.652 12.736 1.00 0.00 SOLV H ATOM 3114 OH2 TIP3 362 37.324 9.137 2.682 1.00 0.00 SOLV O ATOM 3115 H1 TIP3 362 36.801 9.396 1.890 1.00 0.00 SOLV H ATOM 3116 H2 TIP3 362 37.006 9.813 3.318 1.00 0.00 SOLV H ATOM 3117 OH2 TIP3 363 35.749 6.367 1.394 1.00 0.00 SOLV O ATOM 3118 H1 TIP3 363 35.302 7.027 0.852 1.00 0.00 SOLV H ATOM 3119 H2 TIP3 363 35.352 5.533 1.075 1.00 0.00 SOLV H ATOM 3120 OH2 TIP3 364 34.706 7.950 6.989 1.00 0.00 SOLV O ATOM 3121 H1 TIP3 364 34.621 7.034 6.679 1.00 0.00 SOLV H ATOM 3122 H2 TIP3 364 34.284 7.912 7.878 1.00 0.00 SOLV H ATOM 3123 OH2 TIP3 365 19.605 9.755 11.061 1.00 0.00 SOLV O ATOM 3124 H1 TIP3 365 19.473 9.064 10.367 1.00 0.00 SOLV H ATOM 3125 H2 TIP3 365 20.524 9.567 11.351 1.00 0.00 SOLV H ATOM 3126 OH2 TIP3 366 35.706 9.783 16.816 1.00 0.00 SOLV O ATOM 3127 H1 TIP3 366 36.304 9.018 16.664 1.00 0.00 SOLV H ATOM 3128 H2 TIP3 366 36.197 10.512 16.405 1.00 0.00 SOLV H ATOM 3129 OH2 TIP3 367 37.145 7.474 16.653 1.00 0.00 SOLV O ATOM 3130 H1 TIP3 367 36.255 7.081 16.782 1.00 0.00 SOLV H ATOM 3131 H2 TIP3 367 37.699 6.696 16.888 1.00 0.00 SOLV H ATOM 3132 OH2 TIP3 368 34.697 4.037 0.448 1.00 0.00 SOLV O ATOM 3133 H1 TIP3 368 35.183 3.435 1.043 1.00 0.00 SOLV H ATOM 3134 H2 TIP3 368 33.770 3.822 0.663 1.00 0.00 SOLV H ATOM 3135 OH2 TIP3 369 34.632 5.498 5.297 1.00 0.00 SOLV O ATOM 3136 H1 TIP3 369 34.924 4.556 5.317 1.00 0.00 SOLV H ATOM 3137 H2 TIP3 369 35.397 5.897 4.847 1.00 0.00 SOLV H ATOM 3138 OH2 TIP3 370 34.931 5.754 10.702 1.00 0.00 SOLV O ATOM 3139 H1 TIP3 370 35.896 5.900 10.573 1.00 0.00 SOLV H ATOM 3140 H2 TIP3 370 34.879 5.904 11.668 1.00 0.00 SOLV H ATOM 3141 OH2 TIP3 371 35.191 6.647 13.375 1.00 0.00 SOLV O ATOM 3142 H1 TIP3 371 34.397 7.021 13.798 1.00 0.00 SOLV H ATOM 3143 H2 TIP3 371 35.760 7.442 13.272 1.00 0.00 SOLV H ATOM 3144 OH2 TIP3 372 19.409 5.045 17.162 1.00 0.00 SOLV O ATOM 3145 H1 TIP3 372 20.331 4.808 17.391 1.00 0.00 SOLV H ATOM 3146 H2 TIP3 372 18.975 4.173 17.250 1.00 0.00 SOLV H ATOM 3147 OH2 TIP3 373 37.579 0.880 19.134 1.00 0.00 SOLV O ATOM 3148 H1 TIP3 373 38.336 0.295 18.962 1.00 0.00 SOLV H ATOM 3149 H2 TIP3 373 37.395 1.267 18.256 1.00 0.00 SOLV H ATOM 3150 OH2 TIP3 374 35.345 2.856 5.378 1.00 0.00 SOLV O ATOM 3151 H1 TIP3 374 35.424 2.353 6.212 1.00 0.00 SOLV H ATOM 3152 H2 TIP3 374 34.597 2.374 4.950 1.00 0.00 SOLV H ATOM 3153 OH2 TIP3 375 20.322 3.438 10.071 1.00 0.00 SOLV O ATOM 3154 H1 TIP3 375 20.878 2.649 10.196 1.00 0.00 SOLV H ATOM 3155 H2 TIP3 375 20.984 4.145 10.227 1.00 0.00 SOLV H ATOM 3156 OH2 TIP3 376 36.901 2.610 16.935 1.00 0.00 SOLV O ATOM 3157 H1 TIP3 376 36.085 3.123 17.082 1.00 0.00 SOLV H ATOM 3158 H2 TIP3 376 36.796 2.390 15.998 1.00 0.00 SOLV H ATOM 3159 OH2 TIP3 377 36.933 2.818 1.945 1.00 0.00 SOLV O ATOM 3160 H1 TIP3 377 37.248 2.755 1.011 1.00 0.00 SOLV H ATOM 3161 H2 TIP3 377 37.641 3.357 2.344 1.00 0.00 SOLV H ATOM 3162 OH2 TIP3 378 18.502 2.565 4.498 1.00 0.00 SOLV O ATOM 3163 H1 TIP3 378 18.717 2.901 5.388 1.00 0.00 SOLV H ATOM 3164 H2 TIP3 378 18.937 3.252 3.942 1.00 0.00 SOLV H ATOM 3165 OH2 TIP3 379 34.086 17.645 7.037 1.00 0.00 SOLV O ATOM 3166 H1 TIP3 379 34.854 17.651 6.430 1.00 0.00 SOLV H ATOM 3167 H2 TIP3 379 34.436 18.087 7.831 1.00 0.00 SOLV H ATOM 3168 OH2 TIP3 380 19.331 1.960 13.957 1.00 0.00 SOLV O ATOM 3169 H1 TIP3 380 19.271 0.999 13.814 1.00 0.00 SOLV H ATOM 3170 H2 TIP3 380 18.936 2.315 13.140 1.00 0.00 SOLV H ATOM 3171 OH2 TIP3 381 21.459 14.979 17.447 1.00 0.00 SOLV O ATOM 3172 H1 TIP3 381 20.566 14.930 17.055 1.00 0.00 SOLV H ATOM 3173 H2 TIP3 381 21.323 14.577 18.313 1.00 0.00 SOLV H ATOM 3174 OH2 TIP3 382 24.511 15.802 13.794 1.00 0.00 SOLV O ATOM 3175 H1 TIP3 382 24.287 16.710 13.498 1.00 0.00 SOLV H ATOM 3176 H2 TIP3 382 25.464 15.817 13.567 1.00 0.00 SOLV H ATOM 3177 OH2 TIP3 383 28.547 16.947 16.623 1.00 0.00 SOLV O ATOM 3178 H1 TIP3 383 28.719 16.653 17.543 1.00 0.00 SOLV H ATOM 3179 H2 TIP3 383 29.385 17.418 16.426 1.00 0.00 SOLV H ATOM 3180 OH2 TIP3 384 30.846 18.377 16.175 1.00 0.00 SOLV O ATOM 3181 H1 TIP3 384 31.561 17.885 15.747 1.00 0.00 SOLV H ATOM 3182 H2 TIP3 384 31.303 18.697 16.984 1.00 0.00 SOLV H ATOM 3183 OH2 TIP3 385 35.548 0.748 14.549 1.00 0.00 SOLV O ATOM 3184 H1 TIP3 385 35.135 1.492 14.058 1.00 0.00 SOLV H ATOM 3185 H2 TIP3 385 35.549 0.060 13.870 1.00 0.00 SOLV H ATOM 3186 OH2 TIP3 386 21.628 18.798 13.844 1.00 0.00 SOLV O ATOM 3187 H1 TIP3 386 20.832 19.260 13.497 1.00 0.00 SOLV H ATOM 3188 H2 TIP3 386 21.678 19.186 14.729 1.00 0.00 SOLV H ATOM 3189 OH2 TIP3 387 24.229 18.405 13.035 1.00 0.00 SOLV O ATOM 3190 H1 TIP3 387 23.281 18.588 13.225 1.00 0.00 SOLV H ATOM 3191 H2 TIP3 387 24.349 18.875 12.185 1.00 0.00 SOLV H ATOM 3192 OH2 TIP3 388 28.836 18.148 12.168 1.00 0.00 SOLV O ATOM 3193 H1 TIP3 388 28.394 18.568 11.410 1.00 0.00 SOLV H ATOM 3194 H2 TIP3 388 28.974 18.906 12.774 1.00 0.00 SOLV H ATOM 3195 OH2 TIP3 389 31.162 16.905 13.194 1.00 0.00 SOLV O ATOM 3196 H1 TIP3 389 30.386 17.344 12.798 1.00 0.00 SOLV H ATOM 3197 H2 TIP3 389 31.873 17.545 12.990 1.00 0.00 SOLV H ATOM 3198 OH2 TIP3 390 33.458 18.473 13.056 1.00 0.00 SOLV O ATOM 3199 H1 TIP3 390 33.677 19.407 12.838 1.00 0.00 SOLV H ATOM 3200 H2 TIP3 390 33.923 18.000 12.330 1.00 0.00 SOLV H ATOM 3201 OH2 TIP3 391 21.168 17.408 10.693 1.00 0.00 SOLV O ATOM 3202 H1 TIP3 391 21.150 16.868 11.513 1.00 0.00 SOLV H ATOM 3203 H2 TIP3 391 21.953 16.993 10.266 1.00 0.00 SOLV H ATOM 3204 OH2 TIP3 392 23.283 16.132 9.597 1.00 0.00 SOLV O ATOM 3205 H1 TIP3 392 23.158 15.198 9.899 1.00 0.00 SOLV H ATOM 3206 H2 TIP3 392 24.219 16.271 9.853 1.00 0.00 SOLV H ATOM 3207 OH2 TIP3 393 25.968 16.410 10.488 1.00 0.00 SOLV O ATOM 3208 H1 TIP3 393 26.094 15.473 10.228 1.00 0.00 SOLV H ATOM 3209 H2 TIP3 393 26.306 16.357 11.405 1.00 0.00 SOLV H ATOM 3210 OH2 TIP3 394 29.215 2.519 9.451 1.00 0.00 SOLV O ATOM 3211 H1 TIP3 394 28.436 1.947 9.611 1.00 0.00 SOLV H ATOM 3212 H2 TIP3 394 29.821 1.895 8.989 1.00 0.00 SOLV H ATOM 3213 OH2 TIP3 395 34.952 0.939 9.823 1.00 0.00 SOLV O ATOM 3214 H1 TIP3 395 35.557 1.097 9.068 1.00 0.00 SOLV H ATOM 3215 H2 TIP3 395 34.249 1.567 9.586 1.00 0.00 SOLV H ATOM 3216 OH2 TIP3 396 36.379 1.463 7.577 1.00 0.00 SOLV O ATOM 3217 H1 TIP3 396 37.029 1.065 6.986 1.00 0.00 SOLV H ATOM 3218 H2 TIP3 396 36.801 2.344 7.738 1.00 0.00 SOLV H ATOM 3219 OH2 TIP3 397 21.996 0.644 7.080 1.00 0.00 SOLV O ATOM 3220 H1 TIP3 397 21.391 0.664 6.328 1.00 0.00 SOLV H ATOM 3221 H2 TIP3 397 22.419 -0.223 6.997 1.00 0.00 SOLV H ATOM 3222 OH2 TIP3 398 20.562 0.716 3.410 1.00 0.00 SOLV O ATOM 3223 H1 TIP3 398 21.212 1.172 2.817 1.00 0.00 SOLV H ATOM 3224 H2 TIP3 398 19.958 1.453 3.588 1.00 0.00 SOLV H ATOM 3225 OH2 TIP3 399 26.153 1.506 7.061 1.00 0.00 SOLV O ATOM 3226 H1 TIP3 399 26.978 1.873 6.679 1.00 0.00 SOLV H ATOM 3227 H2 TIP3 399 26.409 1.429 8.003 1.00 0.00 SOLV H ATOM 3228 OH2 TIP3 400 31.103 1.019 8.145 1.00 0.00 SOLV O ATOM 3229 H1 TIP3 400 31.566 1.454 7.423 1.00 0.00 SOLV H ATOM 3230 H2 TIP3 400 31.778 0.364 8.449 1.00 0.00 SOLV H ATOM 3231 OH2 TIP3 401 33.255 1.480 4.336 1.00 0.00 SOLV O ATOM 3232 H1 TIP3 401 32.321 1.730 4.472 1.00 0.00 SOLV H ATOM 3233 H2 TIP3 401 33.200 0.501 4.259 1.00 0.00 SOLV H ATOM 3234 OH2 TIP3 402 20.531 16.859 3.787 1.00 0.00 SOLV O ATOM 3235 H1 TIP3 402 19.796 16.687 3.176 1.00 0.00 SOLV H ATOM 3236 H2 TIP3 402 20.582 17.835 3.730 1.00 0.00 SOLV H ATOM 3237 OH2 TIP3 403 22.592 1.883 1.945 1.00 0.00 SOLV O ATOM 3238 H1 TIP3 403 22.745 2.122 1.022 1.00 0.00 SOLV H ATOM 3239 H2 TIP3 403 23.279 2.415 2.392 1.00 0.00 SOLV H ATOM 3240 OH2 TIP3 404 27.380 3.012 3.892 1.00 0.00 SOLV O ATOM 3241 H1 TIP3 404 27.717 2.322 4.494 1.00 0.00 SOLV H ATOM 3242 H2 TIP3 404 27.605 3.801 4.435 1.00 0.00 SOLV H ATOM 3243 OH2 TIP3 405 29.193 18.325 1.997 1.00 0.00 SOLV O ATOM 3244 H1 TIP3 405 30.178 18.346 2.064 1.00 0.00 SOLV H ATOM 3245 H2 TIP3 405 29.102 17.413 1.631 1.00 0.00 SOLV H ATOM 3246 OH2 TIP3 406 36.156 17.509 5.176 1.00 0.00 SOLV O ATOM 3247 H1 TIP3 406 35.948 16.586 4.886 1.00 0.00 SOLV H ATOM 3248 H2 TIP3 406 35.890 18.007 4.376 1.00 0.00 SOLV H ATOM 3249 OH2 TIP3 407 21.717 1.826 16.574 1.00 0.00 SOLV O ATOM 3250 H1 TIP3 407 21.177 1.089 16.259 1.00 0.00 SOLV H ATOM 3251 H2 TIP3 407 22.373 1.377 17.144 1.00 0.00 SOLV H ATOM 3252 OH2 TIP3 408 23.748 1.262 18.483 1.00 0.00 SOLV O ATOM 3253 H1 TIP3 408 24.527 1.593 18.018 1.00 0.00 SOLV H ATOM 3254 H2 TIP3 408 24.065 0.405 18.846 1.00 0.00 SOLV H ATOM 3255 OH2 TIP3 409 22.154 17.502 0.848 1.00 0.00 SOLV O ATOM 3256 H1 TIP3 409 21.677 17.708 1.662 1.00 0.00 SOLV H ATOM 3257 H2 TIP3 409 22.828 16.888 1.163 1.00 0.00 SOLV H ATOM 3258 OH2 TIP3 410 35.092 16.204 17.133 1.00 0.00 SOLV O ATOM 3259 H1 TIP3 410 34.471 16.193 16.375 1.00 0.00 SOLV H ATOM 3260 H2 TIP3 410 35.041 17.148 17.389 1.00 0.00 SOLV H ATOM 3261 OH2 TIP3 411 49.747 10.046 6.964 1.00 0.00 SOLV O ATOM 3262 H1 TIP3 411 49.594 11.015 6.928 1.00 0.00 SOLV H ATOM 3263 H2 TIP3 411 49.054 9.756 6.344 1.00 0.00 SOLV H ATOM 3264 OH2 TIP3 412 48.734 9.323 10.715 1.00 0.00 SOLV O ATOM 3265 H1 TIP3 412 48.829 8.929 11.606 1.00 0.00 SOLV H ATOM 3266 H2 TIP3 412 48.160 8.677 10.278 1.00 0.00 SOLV H ATOM 3267 OH2 TIP3 413 40.811 8.895 12.152 1.00 0.00 SOLV O ATOM 3268 H1 TIP3 413 40.819 8.033 12.609 1.00 0.00 SOLV H ATOM 3269 H2 TIP3 413 41.569 9.326 12.569 1.00 0.00 SOLV H ATOM 3270 OH2 TIP3 414 52.338 12.382 9.020 1.00 0.00 SOLV O ATOM 3271 H1 TIP3 414 51.883 11.695 9.528 1.00 0.00 SOLV H ATOM 3272 H2 TIP3 414 52.620 13.000 9.716 1.00 0.00 SOLV H ATOM 3273 OH2 TIP3 415 41.987 13.533 10.374 1.00 0.00 SOLV O ATOM 3274 H1 TIP3 415 41.762 12.608 10.137 1.00 0.00 SOLV H ATOM 3275 H2 TIP3 415 42.927 13.435 10.609 1.00 0.00 SOLV H ATOM 3276 OH2 TIP3 416 38.700 6.790 5.813 1.00 0.00 SOLV O ATOM 3277 H1 TIP3 416 38.275 7.601 6.150 1.00 0.00 SOLV H ATOM 3278 H2 TIP3 416 38.099 6.603 5.064 1.00 0.00 SOLV H ATOM 3279 OH2 TIP3 417 39.037 9.118 8.410 1.00 0.00 SOLV O ATOM 3280 H1 TIP3 417 39.361 8.214 8.623 1.00 0.00 SOLV H ATOM 3281 H2 TIP3 417 39.851 9.572 8.153 1.00 0.00 SOLV H ATOM 3282 OH2 TIP3 418 49.618 17.458 9.413 1.00 0.00 SOLV O ATOM 3283 H1 TIP3 418 50.010 16.840 8.762 1.00 0.00 SOLV H ATOM 3284 H2 TIP3 418 49.201 16.845 10.030 1.00 0.00 SOLV H ATOM 3285 OH2 TIP3 419 46.923 11.893 11.118 1.00 0.00 SOLV O ATOM 3286 H1 TIP3 419 47.365 11.199 10.604 1.00 0.00 SOLV H ATOM 3287 H2 TIP3 419 47.667 12.124 11.716 1.00 0.00 SOLV H ATOM 3288 OH2 TIP3 420 55.693 3.422 11.766 1.00 0.00 SOLV O ATOM 3289 H1 TIP3 420 55.869 4.066 12.487 1.00 0.00 SOLV H ATOM 3290 H2 TIP3 420 56.204 3.820 11.040 1.00 0.00 SOLV H ATOM 3291 OH2 TIP3 421 50.144 6.171 10.947 1.00 0.00 SOLV O ATOM 3292 H1 TIP3 421 50.310 5.284 11.318 1.00 0.00 SOLV H ATOM 3293 H2 TIP3 421 49.989 5.920 10.015 1.00 0.00 SOLV H ATOM 3294 OH2 TIP3 422 43.265 4.168 8.604 1.00 0.00 SOLV O ATOM 3295 H1 TIP3 422 43.600 4.983 8.185 1.00 0.00 SOLV H ATOM 3296 H2 TIP3 422 42.862 3.728 7.832 1.00 0.00 SOLV H ATOM 3297 OH2 TIP3 423 39.954 6.658 9.155 1.00 0.00 SOLV O ATOM 3298 H1 TIP3 423 40.546 6.222 9.799 1.00 0.00 SOLV H ATOM 3299 H2 TIP3 423 40.288 6.268 8.321 1.00 0.00 SOLV H ATOM 3300 OH2 TIP3 424 44.943 8.121 8.743 1.00 0.00 SOLV O ATOM 3301 H1 TIP3 424 45.763 7.665 9.031 1.00 0.00 SOLV H ATOM 3302 H2 TIP3 424 44.519 7.430 8.188 1.00 0.00 SOLV H ATOM 3303 OH2 TIP3 425 56.106 4.921 14.047 1.00 0.00 SOLV O ATOM 3304 H1 TIP3 425 55.354 5.537 13.933 1.00 0.00 SOLV H ATOM 3305 H2 TIP3 425 56.315 5.030 14.988 1.00 0.00 SOLV H ATOM 3306 OH2 TIP3 426 42.204 3.258 12.673 1.00 0.00 SOLV O ATOM 3307 H1 TIP3 426 41.889 3.869 11.979 1.00 0.00 SOLV H ATOM 3308 H2 TIP3 426 41.495 3.384 13.342 1.00 0.00 SOLV H ATOM 3309 OH2 TIP3 427 49.061 12.568 6.051 1.00 0.00 SOLV O ATOM 3310 H1 TIP3 427 49.256 12.876 5.155 1.00 0.00 SOLV H ATOM 3311 H2 TIP3 427 48.743 13.402 6.458 1.00 0.00 SOLV H ATOM 3312 OH2 TIP3 428 44.851 10.943 12.617 1.00 0.00 SOLV O ATOM 3313 H1 TIP3 428 44.316 11.677 12.994 1.00 0.00 SOLV H ATOM 3314 H2 TIP3 428 45.546 11.434 12.128 1.00 0.00 SOLV H ATOM 3315 OH2 TIP3 429 52.600 4.068 8.913 1.00 0.00 SOLV O ATOM 3316 H1 TIP3 429 52.803 3.217 9.336 1.00 0.00 SOLV H ATOM 3317 H2 TIP3 429 53.032 4.689 9.532 1.00 0.00 SOLV H ATOM 3318 OH2 TIP3 430 41.681 5.033 10.608 1.00 0.00 SOLV O ATOM 3319 H1 TIP3 430 42.320 5.570 11.127 1.00 0.00 SOLV H ATOM 3320 H2 TIP3 430 42.285 4.674 9.913 1.00 0.00 SOLV H ATOM 3321 OH2 TIP3 431 43.272 12.988 13.685 1.00 0.00 SOLV O ATOM 3322 H1 TIP3 431 43.243 13.960 13.556 1.00 0.00 SOLV H ATOM 3323 H2 TIP3 431 42.338 12.842 13.952 1.00 0.00 SOLV H ATOM 3324 OH2 TIP3 432 39.013 12.621 4.360 1.00 0.00 SOLV O ATOM 3325 H1 TIP3 432 38.902 13.087 3.506 1.00 0.00 SOLV H ATOM 3326 H2 TIP3 432 39.344 13.345 4.931 1.00 0.00 SOLV H ATOM 3327 OH2 TIP3 433 52.819 14.378 11.172 1.00 0.00 SOLV O ATOM 3328 H1 TIP3 433 51.845 14.381 11.314 1.00 0.00 SOLV H ATOM 3329 H2 TIP3 433 52.977 15.314 10.936 1.00 0.00 SOLV H ATOM 3330 OH2 TIP3 434 53.318 2.669 12.996 1.00 0.00 SOLV O ATOM 3331 H1 TIP3 434 52.529 2.852 12.469 1.00 0.00 SOLV H ATOM 3332 H2 TIP3 434 54.035 2.867 12.354 1.00 0.00 SOLV H ATOM 3333 OH2 TIP3 435 45.581 0.820 9.588 1.00 0.00 SOLV O ATOM 3334 H1 TIP3 435 46.151 0.244 10.131 1.00 0.00 SOLV H ATOM 3335 H2 TIP3 435 44.828 0.975 10.196 1.00 0.00 SOLV H ATOM 3336 OH2 TIP3 436 50.898 16.013 7.371 1.00 0.00 SOLV O ATOM 3337 H1 TIP3 436 51.289 15.132 7.143 1.00 0.00 SOLV H ATOM 3338 H2 TIP3 436 51.719 16.560 7.383 1.00 0.00 SOLV H ATOM 3339 OH2 TIP3 437 52.052 13.682 6.563 1.00 0.00 SOLV O ATOM 3340 H1 TIP3 437 52.288 13.071 5.845 1.00 0.00 SOLV H ATOM 3341 H2 TIP3 437 52.190 13.128 7.361 1.00 0.00 SOLV H ATOM 3342 OH2 TIP3 438 53.922 12.329 14.763 1.00 0.00 SOLV O ATOM 3343 H1 TIP3 438 53.846 11.737 13.984 1.00 0.00 SOLV H ATOM 3344 H2 TIP3 438 54.001 13.208 14.334 1.00 0.00 SOLV H ATOM 3345 OH2 TIP3 439 48.317 9.229 4.738 1.00 0.00 SOLV O ATOM 3346 H1 TIP3 439 47.726 9.982 4.527 1.00 0.00 SOLV H ATOM 3347 H2 TIP3 439 48.962 9.277 4.009 1.00 0.00 SOLV H ATOM 3348 OH2 TIP3 440 48.491 7.625 1.209 1.00 0.00 SOLV O ATOM 3349 H1 TIP3 440 49.130 8.025 1.826 1.00 0.00 SOLV H ATOM 3350 H2 TIP3 440 49.073 7.117 0.612 1.00 0.00 SOLV H ATOM 3351 OH2 TIP3 441 55.681 8.813 12.937 1.00 0.00 SOLV O ATOM 3352 H1 TIP3 441 54.953 9.468 12.868 1.00 0.00 SOLV H ATOM 3353 H2 TIP3 441 56.275 9.144 12.227 1.00 0.00 SOLV H ATOM 3354 OH2 TIP3 442 51.877 9.492 5.350 1.00 0.00 SOLV O ATOM 3355 H1 TIP3 442 51.194 9.685 6.035 1.00 0.00 SOLV H ATOM 3356 H2 TIP3 442 52.556 9.047 5.899 1.00 0.00 SOLV H ATOM 3357 OH2 TIP3 443 51.605 7.623 14.794 1.00 0.00 SOLV O ATOM 3358 H1 TIP3 443 51.570 8.301 15.500 1.00 0.00 SOLV H ATOM 3359 H2 TIP3 443 50.923 7.958 14.182 1.00 0.00 SOLV H ATOM 3360 OH2 TIP3 444 43.402 10.084 7.533 1.00 0.00 SOLV O ATOM 3361 H1 TIP3 444 43.172 9.736 6.647 1.00 0.00 SOLV H ATOM 3362 H2 TIP3 444 43.990 9.384 7.889 1.00 0.00 SOLV H ATOM 3363 OH2 TIP3 445 44.862 13.632 10.164 1.00 0.00 SOLV O ATOM 3364 H1 TIP3 445 44.908 13.555 9.198 1.00 0.00 SOLV H ATOM 3365 H2 TIP3 445 45.589 13.042 10.456 1.00 0.00 SOLV H ATOM 3366 OH2 TIP3 446 43.712 8.914 11.130 1.00 0.00 SOLV O ATOM 3367 H1 TIP3 446 44.245 8.777 10.320 1.00 0.00 SOLV H ATOM 3368 H2 TIP3 446 44.187 9.639 11.587 1.00 0.00 SOLV H ATOM 3369 OH2 TIP3 447 50.190 14.482 11.799 1.00 0.00 SOLV O ATOM 3370 H1 TIP3 447 50.032 15.172 12.467 1.00 0.00 SOLV H ATOM 3371 H2 TIP3 447 49.740 13.701 12.177 1.00 0.00 SOLV H ATOM 3372 OH2 TIP3 448 44.929 13.352 15.840 1.00 0.00 SOLV O ATOM 3373 H1 TIP3 448 44.286 13.961 16.267 1.00 0.00 SOLV H ATOM 3374 H2 TIP3 448 44.400 13.071 15.065 1.00 0.00 SOLV H ATOM 3375 OH2 TIP3 449 50.539 8.736 3.061 1.00 0.00 SOLV O ATOM 3376 H1 TIP3 449 51.042 9.118 3.817 1.00 0.00 SOLV H ATOM 3377 H2 TIP3 449 51.088 9.074 2.309 1.00 0.00 SOLV H ATOM 3378 OH2 TIP3 450 41.693 9.317 15.214 1.00 0.00 SOLV O ATOM 3379 H1 TIP3 450 41.764 10.103 15.793 1.00 0.00 SOLV H ATOM 3380 H2 TIP3 450 40.717 9.259 15.125 1.00 0.00 SOLV H ATOM 3381 OH2 TIP3 451 48.405 15.153 6.713 1.00 0.00 SOLV O ATOM 3382 H1 TIP3 451 49.293 15.477 6.973 1.00 0.00 SOLV H ATOM 3383 H2 TIP3 451 48.078 15.881 6.169 1.00 0.00 SOLV H ATOM 3384 OH2 TIP3 452 42.922 15.111 16.553 1.00 0.00 SOLV O ATOM 3385 H1 TIP3 452 42.841 15.461 15.647 1.00 0.00 SOLV H ATOM 3386 H2 TIP3 452 41.978 14.986 16.807 1.00 0.00 SOLV H ATOM 3387 OH2 TIP3 453 54.525 0.651 2.888 1.00 0.00 SOLV O ATOM 3388 H1 TIP3 453 53.650 1.040 2.995 1.00 0.00 SOLV H ATOM 3389 H2 TIP3 453 55.027 1.387 2.477 1.00 0.00 SOLV H ATOM 3390 OH2 TIP3 454 42.554 9.287 4.903 1.00 0.00 SOLV O ATOM 3391 H1 TIP3 454 42.036 9.960 4.409 1.00 0.00 SOLV H ATOM 3392 H2 TIP3 454 41.962 8.529 4.858 1.00 0.00 SOLV H ATOM 3393 OH2 TIP3 455 55.563 14.908 1.637 1.00 0.00 SOLV O ATOM 3394 H1 TIP3 455 55.857 15.709 1.184 1.00 0.00 SOLV H ATOM 3395 H2 TIP3 455 56.375 14.363 1.643 1.00 0.00 SOLV H ATOM 3396 OH2 TIP3 456 38.420 11.641 13.980 1.00 0.00 SOLV O ATOM 3397 H1 TIP3 456 37.907 11.732 13.149 1.00 0.00 SOLV H ATOM 3398 H2 TIP3 456 38.607 10.683 14.019 1.00 0.00 SOLV H ATOM 3399 OH2 TIP3 457 38.324 14.503 10.582 1.00 0.00 SOLV O ATOM 3400 H1 TIP3 457 39.247 14.326 10.815 1.00 0.00 SOLV H ATOM 3401 H2 TIP3 457 38.093 15.189 11.230 1.00 0.00 SOLV H ATOM 3402 OH2 TIP3 458 56.505 15.205 16.653 1.00 0.00 SOLV O ATOM 3403 H1 TIP3 458 56.339 14.245 16.564 1.00 0.00 SOLV H ATOM 3404 H2 TIP3 458 55.611 15.506 16.933 1.00 0.00 SOLV H ATOM 3405 OH2 TIP3 459 47.321 14.499 15.237 1.00 0.00 SOLV O ATOM 3406 H1 TIP3 459 47.302 15.343 15.739 1.00 0.00 SOLV H ATOM 3407 H2 TIP3 459 46.445 14.124 15.483 1.00 0.00 SOLV H ATOM 3408 OH2 TIP3 460 48.097 18.130 5.086 1.00 0.00 SOLV O ATOM 3409 H1 TIP3 460 47.904 18.272 4.146 1.00 0.00 SOLV H ATOM 3410 H2 TIP3 460 47.849 18.986 5.483 1.00 0.00 SOLV H ATOM 3411 OH2 TIP3 461 41.508 17.067 7.076 1.00 0.00 SOLV O ATOM 3412 H1 TIP3 461 41.676 16.746 7.990 1.00 0.00 SOLV H ATOM 3413 H2 TIP3 461 40.993 16.326 6.706 1.00 0.00 SOLV H ATOM 3414 OH2 TIP3 462 50.629 17.642 2.161 1.00 0.00 SOLV O ATOM 3415 H1 TIP3 462 51.225 17.035 1.675 1.00 0.00 SOLV H ATOM 3416 H2 TIP3 462 50.921 17.497 3.082 1.00 0.00 SOLV H ATOM 3417 OH2 TIP3 463 50.748 17.513 4.922 1.00 0.00 SOLV O ATOM 3418 H1 TIP3 463 49.780 17.607 5.039 1.00 0.00 SOLV H ATOM 3419 H2 TIP3 463 50.969 16.904 5.648 1.00 0.00 SOLV H ATOM 3420 OH2 TIP3 464 53.511 6.439 16.928 1.00 0.00 SOLV O ATOM 3421 H1 TIP3 464 52.817 6.719 16.314 1.00 0.00 SOLV H ATOM 3422 H2 TIP3 464 53.596 5.489 16.700 1.00 0.00 SOLV H ATOM 3423 OH2 TIP3 465 40.700 13.036 14.637 1.00 0.00 SOLV O ATOM 3424 H1 TIP3 465 40.892 12.671 15.522 1.00 0.00 SOLV H ATOM 3425 H2 TIP3 465 39.868 12.568 14.409 1.00 0.00 SOLV H ATOM 3426 OH2 TIP3 466 43.344 1.177 11.235 1.00 0.00 SOLV O ATOM 3427 H1 TIP3 466 42.545 1.125 10.671 1.00 0.00 SOLV H ATOM 3428 H2 TIP3 466 43.059 1.902 11.829 1.00 0.00 SOLV H ATOM 3429 OH2 TIP3 467 48.083 1.601 14.440 1.00 0.00 SOLV O ATOM 3430 H1 TIP3 467 48.270 0.741 14.850 1.00 0.00 SOLV H ATOM 3431 H2 TIP3 467 47.112 1.523 14.345 1.00 0.00 SOLV H ATOM 3432 OH2 TIP3 468 51.177 4.930 15.129 1.00 0.00 SOLV O ATOM 3433 H1 TIP3 468 50.487 4.824 15.828 1.00 0.00 SOLV H ATOM 3434 H2 TIP3 468 51.192 5.898 14.986 1.00 0.00 SOLV H ATOM 3435 OH2 TIP3 469 52.110 9.565 1.026 1.00 0.00 SOLV O ATOM 3436 H1 TIP3 469 51.829 9.805 0.120 1.00 0.00 SOLV H ATOM 3437 H2 TIP3 469 53.050 9.834 0.989 1.00 0.00 SOLV H ATOM 3438 OH2 TIP3 470 47.711 3.505 1.567 1.00 0.00 SOLV O ATOM 3439 H1 TIP3 470 47.175 3.355 2.370 1.00 0.00 SOLV H ATOM 3440 H2 TIP3 470 47.063 3.384 0.862 1.00 0.00 SOLV H ATOM 3441 OH2 TIP3 471 43.479 6.413 12.181 1.00 0.00 SOLV O ATOM 3442 H1 TIP3 471 42.793 6.518 12.875 1.00 0.00 SOLV H ATOM 3443 H2 TIP3 471 43.553 7.337 11.849 1.00 0.00 SOLV H ATOM 3444 OH2 TIP3 472 43.605 6.408 7.079 1.00 0.00 SOLV O ATOM 3445 H1 TIP3 472 42.631 6.314 6.981 1.00 0.00 SOLV H ATOM 3446 H2 TIP3 472 43.905 6.192 6.170 1.00 0.00 SOLV H ATOM 3447 OH2 TIP3 473 48.966 6.706 5.673 1.00 0.00 SOLV O ATOM 3448 H1 TIP3 473 48.729 7.620 5.386 1.00 0.00 SOLV H ATOM 3449 H2 TIP3 473 49.690 6.495 5.042 1.00 0.00 SOLV H ATOM 3450 OH2 TIP3 474 48.124 7.078 17.051 1.00 0.00 SOLV O ATOM 3451 H1 TIP3 474 47.625 6.313 17.418 1.00 0.00 SOLV H ATOM 3452 H2 TIP3 474 48.968 6.974 17.532 1.00 0.00 SOLV H ATOM 3453 OH2 TIP3 475 49.832 5.857 8.202 1.00 0.00 SOLV O ATOM 3454 H1 TIP3 475 49.479 6.539 7.594 1.00 0.00 SOLV H ATOM 3455 H2 TIP3 475 50.791 6.013 8.114 1.00 0.00 SOLV H ATOM 3456 OH2 TIP3 476 41.216 6.564 13.742 1.00 0.00 SOLV O ATOM 3457 H1 TIP3 476 41.353 6.999 14.595 1.00 0.00 SOLV H ATOM 3458 H2 TIP3 476 40.801 5.716 14.014 1.00 0.00 SOLV H ATOM 3459 OH2 TIP3 477 44.119 3.727 0.154 1.00 0.00 SOLV O ATOM 3460 H1 TIP3 477 43.955 3.655 1.113 1.00 0.00 SOLV H ATOM 3461 H2 TIP3 477 44.009 4.686 0.012 1.00 0.00 SOLV H ATOM 3462 OH2 TIP3 478 37.828 3.689 7.755 1.00 0.00 SOLV O ATOM 3463 H1 TIP3 478 38.405 3.732 8.549 1.00 0.00 SOLV H ATOM 3464 H2 TIP3 478 38.451 3.799 7.029 1.00 0.00 SOLV H ATOM 3465 OH2 TIP3 479 38.826 4.504 3.140 1.00 0.00 SOLV O ATOM 3466 H1 TIP3 479 39.576 4.855 2.632 1.00 0.00 SOLV H ATOM 3467 H2 TIP3 479 38.306 5.313 3.314 1.00 0.00 SOLV H ATOM 3468 OH2 TIP3 480 49.178 7.830 12.961 1.00 0.00 SOLV O ATOM 3469 H1 TIP3 480 49.547 7.203 12.304 1.00 0.00 SOLV H ATOM 3470 H2 TIP3 480 48.580 7.238 13.471 1.00 0.00 SOLV H ATOM 3471 OH2 TIP3 481 40.979 5.698 6.748 1.00 0.00 SOLV O ATOM 3472 H1 TIP3 481 40.153 6.027 6.314 1.00 0.00 SOLV H ATOM 3473 H2 TIP3 481 41.080 4.804 6.377 1.00 0.00 SOLV H ATOM 3474 OH2 TIP3 482 44.588 5.698 4.612 1.00 0.00 SOLV O ATOM 3475 H1 TIP3 482 45.413 5.802 4.124 1.00 0.00 SOLV H ATOM 3476 H2 TIP3 482 43.976 6.170 4.000 1.00 0.00 SOLV H ATOM 3477 OH2 TIP3 483 50.233 3.319 11.058 1.00 0.00 SOLV O ATOM 3478 H1 TIP3 483 49.803 3.503 11.924 1.00 0.00 SOLV H ATOM 3479 H2 TIP3 483 50.070 2.377 10.968 1.00 0.00 SOLV H ATOM 3480 OH2 TIP3 484 43.237 6.857 2.626 1.00 0.00 SOLV O ATOM 3481 H1 TIP3 484 42.384 6.737 2.179 1.00 0.00 SOLV H ATOM 3482 H2 TIP3 484 43.836 7.045 1.880 1.00 0.00 SOLV H ATOM 3483 OH2 TIP3 485 53.865 18.860 17.697 1.00 0.00 SOLV O ATOM 3484 H1 TIP3 485 54.118 19.270 16.850 1.00 0.00 SOLV H ATOM 3485 H2 TIP3 485 54.630 19.088 18.261 1.00 0.00 SOLV H ATOM 3486 OH2 TIP3 486 41.520 11.526 17.011 1.00 0.00 SOLV O ATOM 3487 H1 TIP3 486 42.177 11.555 17.733 1.00 0.00 SOLV H ATOM 3488 H2 TIP3 486 40.692 11.514 17.531 1.00 0.00 SOLV H ATOM 3489 OH2 TIP3 487 47.103 6.764 9.836 1.00 0.00 SOLV O ATOM 3490 H1 TIP3 487 47.980 6.369 9.785 1.00 0.00 SOLV H ATOM 3491 H2 TIP3 487 46.712 6.262 10.589 1.00 0.00 SOLV H ATOM 3492 OH2 TIP3 488 42.191 3.046 6.339 1.00 0.00 SOLV O ATOM 3493 H1 TIP3 488 41.636 2.290 6.628 1.00 0.00 SOLV H ATOM 3494 H2 TIP3 488 42.974 2.580 6.011 1.00 0.00 SOLV H ATOM 3495 OH2 TIP3 489 46.115 5.594 12.154 1.00 0.00 SOLV O ATOM 3496 H1 TIP3 489 45.206 5.950 12.246 1.00 0.00 SOLV H ATOM 3497 H2 TIP3 489 46.544 5.891 12.982 1.00 0.00 SOLV H ATOM 3498 OH2 TIP3 490 46.547 11.281 4.001 1.00 0.00 SOLV O ATOM 3499 H1 TIP3 490 45.792 10.854 3.546 1.00 0.00 SOLV H ATOM 3500 H2 TIP3 490 46.133 11.502 4.872 1.00 0.00 SOLV H ATOM 3501 OH2 TIP3 491 53.689 10.688 12.543 1.00 0.00 SOLV O ATOM 3502 H1 TIP3 491 54.230 11.290 11.989 1.00 0.00 SOLV H ATOM 3503 H2 TIP3 491 52.908 10.522 11.971 1.00 0.00 SOLV H ATOM 3504 OH2 TIP3 492 50.338 3.761 2.452 1.00 0.00 SOLV O ATOM 3505 H1 TIP3 492 49.468 3.823 2.008 1.00 0.00 SOLV H ATOM 3506 H2 TIP3 492 50.549 4.686 2.675 1.00 0.00 SOLV H ATOM 3507 OH2 TIP3 493 47.973 11.687 15.130 1.00 0.00 SOLV O ATOM 3508 H1 TIP3 493 48.137 11.355 16.023 1.00 0.00 SOLV H ATOM 3509 H2 TIP3 493 47.731 12.615 15.289 1.00 0.00 SOLV H ATOM 3510 OH2 TIP3 494 51.091 6.126 3.976 1.00 0.00 SOLV O ATOM 3511 H1 TIP3 494 51.995 6.050 4.357 1.00 0.00 SOLV H ATOM 3512 H2 TIP3 494 51.099 7.031 3.607 1.00 0.00 SOLV H ATOM 3513 OH2 TIP3 495 41.809 10.847 9.690 1.00 0.00 SOLV O ATOM 3514 H1 TIP3 495 42.382 10.627 8.928 1.00 0.00 SOLV H ATOM 3515 H2 TIP3 495 42.004 10.122 10.305 1.00 0.00 SOLV H ATOM 3516 OH2 TIP3 496 48.688 12.803 3.169 1.00 0.00 SOLV O ATOM 3517 H1 TIP3 496 48.314 13.700 3.346 1.00 0.00 SOLV H ATOM 3518 H2 TIP3 496 47.952 12.242 3.502 1.00 0.00 SOLV H ATOM 3519 OH2 TIP3 497 38.932 9.048 15.030 1.00 0.00 SOLV O ATOM 3520 H1 TIP3 497 38.759 8.718 15.933 1.00 0.00 SOLV H ATOM 3521 H2 TIP3 497 38.215 8.612 14.538 1.00 0.00 SOLV H ATOM 3522 OH2 TIP3 498 45.942 8.842 17.204 1.00 0.00 SOLV O ATOM 3523 H1 TIP3 498 45.324 8.397 16.601 1.00 0.00 SOLV H ATOM 3524 H2 TIP3 498 46.771 8.347 17.035 1.00 0.00 SOLV H ATOM 3525 OH2 TIP3 499 50.131 14.093 15.145 1.00 0.00 SOLV O ATOM 3526 H1 TIP3 499 49.173 14.249 15.053 1.00 0.00 SOLV H ATOM 3527 H2 TIP3 499 50.272 14.396 16.069 1.00 0.00 SOLV H ATOM 3528 OH2 TIP3 500 55.867 6.592 3.704 1.00 0.00 SOLV O ATOM 3529 H1 TIP3 500 55.426 6.406 2.840 1.00 0.00 SOLV H ATOM 3530 H2 TIP3 500 56.006 7.556 3.549 1.00 0.00 SOLV H ATOM 3531 OH2 TIP3 501 56.165 12.355 16.333 1.00 0.00 SOLV O ATOM 3532 H1 TIP3 501 55.240 12.441 16.013 1.00 0.00 SOLV H ATOM 3533 H2 TIP3 501 56.614 12.153 15.481 1.00 0.00 SOLV H ATOM 3534 OH2 TIP3 502 54.346 14.987 4.102 1.00 0.00 SOLV O ATOM 3535 H1 TIP3 502 53.778 14.209 4.157 1.00 0.00 SOLV H ATOM 3536 H2 TIP3 502 54.714 14.922 3.195 1.00 0.00 SOLV H ATOM 3537 OH2 TIP3 503 51.529 10.050 10.828 1.00 0.00 SOLV O ATOM 3538 H1 TIP3 503 50.561 9.944 10.727 1.00 0.00 SOLV H ATOM 3539 H2 TIP3 503 51.852 9.321 10.269 1.00 0.00 SOLV H ATOM 3540 OH2 TIP3 504 44.233 14.307 7.164 1.00 0.00 SOLV O ATOM 3541 H1 TIP3 504 44.426 15.198 6.816 1.00 0.00 SOLV H ATOM 3542 H2 TIP3 504 43.270 14.285 7.121 1.00 0.00 SOLV H ATOM 3543 OH2 TIP3 505 39.951 8.906 1.859 1.00 0.00 SOLV O ATOM 3544 H1 TIP3 505 40.374 9.667 2.306 1.00 0.00 SOLV H ATOM 3545 H2 TIP3 505 39.015 9.031 2.127 1.00 0.00 SOLV H ATOM 3546 OH2 TIP3 506 45.154 11.862 6.239 1.00 0.00 SOLV O ATOM 3547 H1 TIP3 506 44.973 12.753 6.598 1.00 0.00 SOLV H ATOM 3548 H2 TIP3 506 44.577 11.309 6.797 1.00 0.00 SOLV H ATOM 3549 OH2 TIP3 507 46.003 16.137 12.989 1.00 0.00 SOLV O ATOM 3550 H1 TIP3 507 46.649 16.851 12.799 1.00 0.00 SOLV H ATOM 3551 H2 TIP3 507 46.542 15.533 13.525 1.00 0.00 SOLV H ATOM 3552 OH2 TIP3 508 44.103 17.087 6.106 1.00 0.00 SOLV O ATOM 3553 H1 TIP3 508 43.177 17.209 6.399 1.00 0.00 SOLV H ATOM 3554 H2 TIP3 508 44.516 17.911 6.445 1.00 0.00 SOLV H ATOM 3555 OH2 TIP3 509 49.159 12.001 12.700 1.00 0.00 SOLV O ATOM 3556 H1 TIP3 509 48.772 11.829 13.589 1.00 0.00 SOLV H ATOM 3557 H2 TIP3 509 49.918 11.403 12.709 1.00 0.00 SOLV H ATOM 3558 OH2 TIP3 510 51.293 12.907 2.061 1.00 0.00 SOLV O ATOM 3559 H1 TIP3 510 51.964 12.539 2.661 1.00 0.00 SOLV H ATOM 3560 H2 TIP3 510 50.531 13.000 2.656 1.00 0.00 SOLV H ATOM 3561 OH2 TIP3 511 52.179 16.497 14.952 1.00 0.00 SOLV O ATOM 3562 H1 TIP3 511 51.337 16.145 14.601 1.00 0.00 SOLV H ATOM 3563 H2 TIP3 511 52.300 17.286 14.380 1.00 0.00 SOLV H ATOM 3564 OH2 TIP3 512 40.207 3.981 14.413 1.00 0.00 SOLV O ATOM 3565 H1 TIP3 512 39.309 3.777 14.082 1.00 0.00 SOLV H ATOM 3566 H2 TIP3 512 40.277 3.293 15.102 1.00 0.00 SOLV H ATOM 3567 OH2 TIP3 513 52.836 11.904 4.287 1.00 0.00 SOLV O ATOM 3568 H1 TIP3 513 52.442 11.072 4.618 1.00 0.00 SOLV H ATOM 3569 H2 TIP3 513 53.785 11.648 4.275 1.00 0.00 SOLV H ATOM 3570 OH2 TIP3 514 40.010 15.611 12.801 1.00 0.00 SOLV O ATOM 3571 H1 TIP3 514 40.329 14.807 13.247 1.00 0.00 SOLV H ATOM 3572 H2 TIP3 514 40.100 16.271 13.502 1.00 0.00 SOLV H ATOM 3573 OH2 TIP3 515 45.810 14.211 0.303 1.00 0.00 SOLV O ATOM 3574 H1 TIP3 515 46.059 13.342 -0.045 1.00 0.00 SOLV H ATOM 3575 H2 TIP3 515 45.327 13.999 1.129 1.00 0.00 SOLV H ATOM 3576 OH2 TIP3 516 44.540 13.819 2.760 1.00 0.00 SOLV O ATOM 3577 H1 TIP3 516 45.060 13.339 3.421 1.00 0.00 SOLV H ATOM 3578 H2 TIP3 516 44.658 14.745 3.074 1.00 0.00 SOLV H ATOM 3579 OH2 TIP3 517 40.994 10.987 3.377 1.00 0.00 SOLV O ATOM 3580 H1 TIP3 517 40.264 11.450 3.844 1.00 0.00 SOLV H ATOM 3581 H2 TIP3 517 41.372 11.738 2.875 1.00 0.00 SOLV H ATOM 3582 OH2 TIP3 518 49.313 3.828 13.496 1.00 0.00 SOLV O ATOM 3583 H1 TIP3 518 50.043 4.056 14.110 1.00 0.00 SOLV H ATOM 3584 H2 TIP3 518 48.905 3.043 13.937 1.00 0.00 SOLV H ATOM 3585 OH2 TIP3 519 49.986 3.598 5.162 1.00 0.00 SOLV O ATOM 3586 H1 TIP3 519 49.673 3.527 4.242 1.00 0.00 SOLV H ATOM 3587 H2 TIP3 519 50.895 3.873 4.969 1.00 0.00 SOLV H ATOM 3588 OH2 TIP3 520 47.506 15.184 3.454 1.00 0.00 SOLV O ATOM 3589 H1 TIP3 520 46.696 15.675 3.687 1.00 0.00 SOLV H ATOM 3590 H2 TIP3 520 47.668 15.498 2.541 1.00 0.00 SOLV H ATOM 3591 OH2 TIP3 521 47.285 4.674 6.270 1.00 0.00 SOLV O ATOM 3592 H1 TIP3 521 47.839 5.442 5.994 1.00 0.00 SOLV H ATOM 3593 H2 TIP3 521 46.436 5.108 6.442 1.00 0.00 SOLV H ATOM 3594 OH2 TIP3 522 47.703 6.105 14.475 1.00 0.00 SOLV O ATOM 3595 H1 TIP3 522 47.824 6.429 15.393 1.00 0.00 SOLV H ATOM 3596 H2 TIP3 522 48.050 5.199 14.535 1.00 0.00 SOLV H ATOM 3597 OH2 TIP3 523 45.024 16.359 3.648 1.00 0.00 SOLV O ATOM 3598 H1 TIP3 523 45.006 17.226 3.186 1.00 0.00 SOLV H ATOM 3599 H2 TIP3 523 44.687 16.613 4.537 1.00 0.00 SOLV H ATOM 3600 OH2 TIP3 524 43.682 3.463 2.927 1.00 0.00 SOLV O ATOM 3601 H1 TIP3 524 43.466 4.146 3.587 1.00 0.00 SOLV H ATOM 3602 H2 TIP3 524 44.571 3.208 3.247 1.00 0.00 SOLV H ATOM 3603 OH2 TIP3 525 53.660 3.978 15.609 1.00 0.00 SOLV O ATOM 3604 H1 TIP3 525 52.704 4.152 15.471 1.00 0.00 SOLV H ATOM 3605 H2 TIP3 525 53.886 3.641 14.728 1.00 0.00 SOLV H ATOM 3606 OH2 TIP3 526 52.219 7.582 9.456 1.00 0.00 SOLV O ATOM 3607 H1 TIP3 526 51.439 7.319 9.974 1.00 0.00 SOLV H ATOM 3608 H2 TIP3 526 52.906 7.034 9.897 1.00 0.00 SOLV H ATOM 3609 OH2 TIP3 527 41.892 13.167 1.912 1.00 0.00 SOLV O ATOM 3610 H1 TIP3 527 42.712 13.515 2.319 1.00 0.00 SOLV H ATOM 3611 H2 TIP3 527 42.293 12.622 1.201 1.00 0.00 SOLV H ATOM 3612 OH2 TIP3 528 40.488 6.355 1.217 1.00 0.00 SOLV O ATOM 3613 H1 TIP3 528 40.270 7.283 1.480 1.00 0.00 SOLV H ATOM 3614 H2 TIP3 528 39.756 6.166 0.614 1.00 0.00 SOLV H ATOM 3615 OH2 TIP3 529 53.494 17.107 11.107 1.00 0.00 SOLV O ATOM 3616 H1 TIP3 529 53.348 17.821 10.446 1.00 0.00 SOLV H ATOM 3617 H2 TIP3 529 54.475 17.138 11.184 1.00 0.00 SOLV H ATOM 3618 OH2 TIP3 530 40.964 0.948 9.805 1.00 0.00 SOLV O ATOM 3619 H1 TIP3 530 40.874 1.034 8.838 1.00 0.00 SOLV H ATOM 3620 H2 TIP3 530 41.077 -0.027 9.876 1.00 0.00 SOLV H ATOM 3621 OH2 TIP3 531 39.774 14.983 5.744 1.00 0.00 SOLV O ATOM 3622 H1 TIP3 531 39.086 15.194 6.389 1.00 0.00 SOLV H ATOM 3623 H2 TIP3 531 39.608 15.642 5.029 1.00 0.00 SOLV H ATOM 3624 OH2 TIP3 532 39.245 17.914 17.607 1.00 0.00 SOLV O ATOM 3625 H1 TIP3 532 39.920 17.732 18.305 1.00 0.00 SOLV H ATOM 3626 H2 TIP3 532 38.995 17.011 17.361 1.00 0.00 SOLV H ATOM 3627 OH2 TIP3 533 43.450 16.326 18.982 1.00 0.00 SOLV O ATOM 3628 H1 TIP3 533 44.339 16.039 19.228 1.00 0.00 SOLV H ATOM 3629 H2 TIP3 533 43.336 15.882 18.117 1.00 0.00 SOLV H ATOM 3630 OH2 TIP3 534 47.846 15.926 0.843 1.00 0.00 SOLV O ATOM 3631 H1 TIP3 534 47.182 15.293 0.493 1.00 0.00 SOLV H ATOM 3632 H2 TIP3 534 48.638 15.686 0.309 1.00 0.00 SOLV H ATOM 3633 OH2 TIP3 535 50.235 14.820 17.775 1.00 0.00 SOLV O ATOM 3634 H1 TIP3 535 49.920 14.025 18.266 1.00 0.00 SOLV H ATOM 3635 H2 TIP3 535 50.938 15.152 18.367 1.00 0.00 SOLV H ATOM 3636 OH2 TIP3 536 52.210 15.756 0.819 1.00 0.00 SOLV O ATOM 3637 H1 TIP3 536 52.761 15.034 1.152 1.00 0.00 SOLV H ATOM 3638 H2 TIP3 536 52.797 16.170 0.153 1.00 0.00 SOLV H ATOM 3639 OH2 TIP3 537 39.043 11.480 18.320 1.00 0.00 SOLV O ATOM 3640 H1 TIP3 537 39.035 10.509 18.220 1.00 0.00 SOLV H ATOM 3641 H2 TIP3 537 38.339 11.754 17.693 1.00 0.00 SOLV H ATOM 3642 OH2 TIP3 538 43.551 11.457 0.571 1.00 0.00 SOLV O ATOM 3643 H1 TIP3 538 43.921 11.015 1.367 1.00 0.00 SOLV H ATOM 3644 H2 TIP3 538 44.305 11.936 0.219 1.00 0.00 SOLV H ATOM 3645 OH2 TIP3 539 45.557 11.614 17.867 1.00 0.00 SOLV O ATOM 3646 H1 TIP3 539 45.419 12.089 17.019 1.00 0.00 SOLV H ATOM 3647 H2 TIP3 539 45.766 10.704 17.571 1.00 0.00 SOLV H ATOM 3648 OH2 TIP3 540 48.721 12.318 0.420 1.00 0.00 SOLV O ATOM 3649 H1 TIP3 540 48.687 12.530 1.377 1.00 0.00 SOLV H ATOM 3650 H2 TIP3 540 49.497 11.739 0.400 1.00 0.00 SOLV H ATOM 3651 OH2 TIP3 541 51.320 11.569 15.354 1.00 0.00 SOLV O ATOM 3652 H1 TIP3 541 52.239 11.873 15.225 1.00 0.00 SOLV H ATOM 3653 H2 TIP3 541 50.831 12.404 15.207 1.00 0.00 SOLV H ATOM 3654 OH2 TIP3 542 39.881 8.761 17.895 1.00 0.00 SOLV O ATOM 3655 H1 TIP3 542 40.660 8.241 17.668 1.00 0.00 SOLV H ATOM 3656 H2 TIP3 542 39.969 8.825 18.872 1.00 0.00 SOLV H ATOM 3657 OH2 TIP3 543 44.498 9.958 2.678 1.00 0.00 SOLV O ATOM 3658 H1 TIP3 543 43.896 9.563 3.335 1.00 0.00 SOLV H ATOM 3659 H2 TIP3 543 44.871 9.165 2.238 1.00 0.00 SOLV H ATOM 3660 OH2 TIP3 544 43.867 7.623 15.203 1.00 0.00 SOLV O ATOM 3661 H1 TIP3 544 43.171 8.312 15.126 1.00 0.00 SOLV H ATOM 3662 H2 TIP3 544 44.586 8.001 14.645 1.00 0.00 SOLV H ATOM 3663 OH2 TIP3 545 45.701 7.850 1.230 1.00 0.00 SOLV O ATOM 3664 H1 TIP3 545 45.651 7.912 0.269 1.00 0.00 SOLV H ATOM 3665 H2 TIP3 545 46.673 7.761 1.355 1.00 0.00 SOLV H ATOM 3666 OH2 TIP3 546 48.956 10.218 18.537 1.00 0.00 SOLV O ATOM 3667 H1 TIP3 546 49.721 9.746 18.188 1.00 0.00 SOLV H ATOM 3668 H2 TIP3 546 48.544 9.532 19.097 1.00 0.00 SOLV H ATOM 3669 OH2 TIP3 547 54.790 10.137 0.499 1.00 0.00 SOLV O ATOM 3670 H1 TIP3 547 55.200 9.778 -0.301 1.00 0.00 SOLV H ATOM 3671 H2 TIP3 547 54.983 11.087 0.343 1.00 0.00 SOLV H ATOM 3672 OH2 TIP3 548 44.391 5.146 16.127 1.00 0.00 SOLV O ATOM 3673 H1 TIP3 548 44.480 4.557 15.349 1.00 0.00 SOLV H ATOM 3674 H2 TIP3 548 44.212 6.014 15.695 1.00 0.00 SOLV H ATOM 3675 OH2 TIP3 549 44.660 3.598 13.836 1.00 0.00 SOLV O ATOM 3676 H1 TIP3 549 45.191 4.030 13.144 1.00 0.00 SOLV H ATOM 3677 H2 TIP3 549 43.779 3.537 13.405 1.00 0.00 SOLV H ATOM 3678 OH2 TIP3 550 45.889 8.733 13.858 1.00 0.00 SOLV O ATOM 3679 H1 TIP3 550 46.839 8.893 13.908 1.00 0.00 SOLV H ATOM 3680 H2 TIP3 550 45.559 9.561 13.450 1.00 0.00 SOLV H ATOM 3681 OH2 TIP3 551 50.363 6.611 18.724 1.00 0.00 SOLV O ATOM 3682 H1 TIP3 551 50.585 5.695 18.958 1.00 0.00 SOLV H ATOM 3683 H2 TIP3 551 51.239 7.022 18.671 1.00 0.00 SOLV H ATOM 3684 OH2 TIP3 552 51.836 9.456 16.972 1.00 0.00 SOLV O ATOM 3685 H1 TIP3 552 51.525 10.239 16.458 1.00 0.00 SOLV H ATOM 3686 H2 TIP3 552 52.809 9.576 16.895 1.00 0.00 SOLV H ATOM 3687 OH2 TIP3 553 42.801 5.817 18.348 1.00 0.00 SOLV O ATOM 3688 H1 TIP3 553 41.980 5.297 18.206 1.00 0.00 SOLV H ATOM 3689 H2 TIP3 553 43.267 5.678 17.500 1.00 0.00 SOLV H ATOM 3690 OH2 TIP3 554 45.395 1.005 14.354 1.00 0.00 SOLV O ATOM 3691 H1 TIP3 554 45.120 1.942 14.253 1.00 0.00 SOLV H ATOM 3692 H2 TIP3 554 44.554 0.544 14.308 1.00 0.00 SOLV H ATOM 3693 OH2 TIP3 555 46.649 4.900 17.727 1.00 0.00 SOLV O ATOM 3694 H1 TIP3 555 46.270 4.471 18.514 1.00 0.00 SOLV H ATOM 3695 H2 TIP3 555 45.850 4.932 17.156 1.00 0.00 SOLV H ATOM 3696 OH2 TIP3 556 49.257 4.238 16.872 1.00 0.00 SOLV O ATOM 3697 H1 TIP3 556 48.357 4.240 17.253 1.00 0.00 SOLV H ATOM 3698 H2 TIP3 556 49.726 3.612 17.461 1.00 0.00 SOLV H ATOM 3699 OH2 TIP3 557 50.872 2.794 18.667 1.00 0.00 SOLV O ATOM 3700 H1 TIP3 557 50.794 1.876 18.945 1.00 0.00 SOLV H ATOM 3701 H2 TIP3 557 50.726 3.268 19.516 1.00 0.00 SOLV H ATOM 3702 OH2 TIP3 558 40.678 4.117 18.028 1.00 0.00 SOLV O ATOM 3703 H1 TIP3 558 40.661 3.297 17.488 1.00 0.00 SOLV H ATOM 3704 H2 TIP3 558 40.737 3.745 18.936 1.00 0.00 SOLV H ATOM 3705 OH2 TIP3 559 46.446 1.933 18.794 1.00 0.00 SOLV O ATOM 3706 H1 TIP3 559 46.184 1.042 18.510 1.00 0.00 SOLV H ATOM 3707 H2 TIP3 559 45.604 2.424 18.848 1.00 0.00 SOLV H ATOM 3708 OH2 TIP3 560 45.348 18.713 2.236 1.00 0.00 SOLV O ATOM 3709 H1 TIP3 560 46.327 18.637 2.204 1.00 0.00 SOLV H ATOM 3710 H2 TIP3 560 45.161 19.200 1.428 1.00 0.00 SOLV H ATOM 3711 OH2 TIP3 561 39.078 13.484 1.698 1.00 0.00 SOLV O ATOM 3712 H1 TIP3 561 40.059 13.478 1.652 1.00 0.00 SOLV H ATOM 3713 H2 TIP3 561 38.824 12.860 0.997 1.00 0.00 SOLV H ATOM 3714 OH2 TIP3 562 38.059 18.624 6.796 1.00 0.00 SOLV O ATOM 3715 H1 TIP3 562 37.451 18.247 6.120 1.00 0.00 SOLV H ATOM 3716 H2 TIP3 562 38.211 17.827 7.351 1.00 0.00 SOLV H ATOM 3717 OH2 TIP3 563 38.562 16.472 8.461 1.00 0.00 SOLV O ATOM 3718 H1 TIP3 563 38.146 15.736 8.948 1.00 0.00 SOLV H ATOM 3719 H2 TIP3 563 39.035 16.904 9.197 1.00 0.00 SOLV H ATOM 3720 OH2 TIP3 564 56.162 17.432 11.614 1.00 0.00 SOLV O ATOM 3721 H1 TIP3 564 56.261 17.527 12.576 1.00 0.00 SOLV H ATOM 3722 H2 TIP3 564 57.038 17.695 11.282 1.00 0.00 SOLV H ATOM 3723 OH2 TIP3 565 55.651 17.044 14.418 1.00 0.00 SOLV O ATOM 3724 H1 TIP3 565 55.087 16.339 14.036 1.00 0.00 SOLV H ATOM 3725 H2 TIP3 565 56.173 16.512 15.042 1.00 0.00 SOLV H ATOM 3726 OH2 TIP3 566 54.112 12.755 19.147 1.00 0.00 SOLV O ATOM 3727 H1 TIP3 566 53.269 12.874 19.629 1.00 0.00 SOLV H ATOM 3728 H2 TIP3 566 54.633 13.511 19.485 1.00 0.00 SOLV H ATOM 3729 OH2 TIP3 567 55.471 11.072 4.488 1.00 0.00 SOLV O ATOM 3730 H1 TIP3 567 56.235 11.689 4.497 1.00 0.00 SOLV H ATOM 3731 H2 TIP3 567 55.694 10.489 5.247 1.00 0.00 SOLV H ATOM 3732 OH2 TIP3 568 55.986 9.152 6.412 1.00 0.00 SOLV O ATOM 3733 H1 TIP3 568 55.121 8.808 6.720 1.00 0.00 SOLV H ATOM 3734 H2 TIP3 568 56.488 9.255 7.248 1.00 0.00 SOLV H ATOM 3735 OH2 TIP3 569 55.909 12.044 11.568 1.00 0.00 SOLV O ATOM 3736 H1 TIP3 569 56.419 11.346 11.106 1.00 0.00 SOLV H ATOM 3737 H2 TIP3 569 56.203 12.854 11.105 1.00 0.00 SOLV H ATOM 3738 OH2 TIP3 570 54.046 14.878 13.645 1.00 0.00 SOLV O ATOM 3739 H1 TIP3 570 53.271 15.320 14.042 1.00 0.00 SOLV H ATOM 3740 H2 TIP3 570 53.732 14.694 12.732 1.00 0.00 SOLV H ATOM 3741 OH2 TIP3 571 56.117 9.111 2.697 1.00 0.00 SOLV O ATOM 3742 H1 TIP3 571 55.615 9.414 1.911 1.00 0.00 SOLV H ATOM 3743 H2 TIP3 571 55.864 9.810 3.338 1.00 0.00 SOLV H ATOM 3744 OH2 TIP3 572 54.643 6.345 1.366 1.00 0.00 SOLV O ATOM 3745 H1 TIP3 572 54.280 7.039 0.807 1.00 0.00 SOLV H ATOM 3746 H2 TIP3 572 54.155 5.552 1.069 1.00 0.00 SOLV H ATOM 3747 OH2 TIP3 573 53.539 7.954 6.975 1.00 0.00 SOLV O ATOM 3748 H1 TIP3 573 53.544 7.049 6.612 1.00 0.00 SOLV H ATOM 3749 H2 TIP3 573 53.113 7.836 7.850 1.00 0.00 SOLV H ATOM 3750 OH2 TIP3 574 38.498 9.797 11.020 1.00 0.00 SOLV O ATOM 3751 H1 TIP3 574 38.633 9.612 10.066 1.00 0.00 SOLV H ATOM 3752 H2 TIP3 574 39.389 9.570 11.376 1.00 0.00 SOLV H ATOM 3753 OH2 TIP3 575 54.581 9.793 16.795 1.00 0.00 SOLV O ATOM 3754 H1 TIP3 575 55.173 9.019 16.666 1.00 0.00 SOLV H ATOM 3755 H2 TIP3 575 55.063 10.499 16.339 1.00 0.00 SOLV H ATOM 3756 OH2 TIP3 576 56.012 7.485 16.682 1.00 0.00 SOLV O ATOM 3757 H1 TIP3 576 55.120 7.094 16.808 1.00 0.00 SOLV H ATOM 3758 H2 TIP3 576 56.560 6.700 16.905 1.00 0.00 SOLV H ATOM 3759 OH2 TIP3 577 53.513 4.072 0.414 1.00 0.00 SOLV O ATOM 3760 H1 TIP3 577 54.065 3.485 0.967 1.00 0.00 SOLV H ATOM 3761 H2 TIP3 577 52.645 3.641 0.460 1.00 0.00 SOLV H ATOM 3762 OH2 TIP3 578 53.583 5.599 5.143 1.00 0.00 SOLV O ATOM 3763 H1 TIP3 578 53.793 4.654 5.312 1.00 0.00 SOLV H ATOM 3764 H2 TIP3 578 54.406 5.891 4.705 1.00 0.00 SOLV H ATOM 3765 OH2 TIP3 579 53.815 5.791 10.732 1.00 0.00 SOLV O ATOM 3766 H1 TIP3 579 54.786 5.890 10.597 1.00 0.00 SOLV H ATOM 3767 H2 TIP3 579 53.778 5.919 11.702 1.00 0.00 SOLV H ATOM 3768 OH2 TIP3 580 54.045 6.647 13.394 1.00 0.00 SOLV O ATOM 3769 H1 TIP3 580 53.264 7.024 13.838 1.00 0.00 SOLV H ATOM 3770 H2 TIP3 580 54.618 7.438 13.282 1.00 0.00 SOLV H ATOM 3771 OH2 TIP3 581 38.298 5.049 17.100 1.00 0.00 SOLV O ATOM 3772 H1 TIP3 581 39.213 4.848 17.391 1.00 0.00 SOLV H ATOM 3773 H2 TIP3 581 37.887 4.169 17.215 1.00 0.00 SOLV H ATOM 3774 OH2 TIP3 582 56.118 0.663 19.086 1.00 0.00 SOLV O ATOM 3775 H1 TIP3 582 57.058 0.470 19.254 1.00 0.00 SOLV H ATOM 3776 H2 TIP3 582 56.128 1.226 18.294 1.00 0.00 SOLV H ATOM 3777 OH2 TIP3 583 54.160 2.883 5.397 1.00 0.00 SOLV O ATOM 3778 H1 TIP3 583 54.284 2.436 6.253 1.00 0.00 SOLV H ATOM 3779 H2 TIP3 583 53.382 2.395 5.041 1.00 0.00 SOLV H ATOM 3780 OH2 TIP3 584 39.482 3.413 9.899 1.00 0.00 SOLV O ATOM 3781 H1 TIP3 584 39.873 2.543 10.103 1.00 0.00 SOLV H ATOM 3782 H2 TIP3 584 40.164 4.019 10.243 1.00 0.00 SOLV H ATOM 3783 OH2 TIP3 585 37.612 6.303 10.742 1.00 0.00 SOLV O ATOM 3784 H1 TIP3 585 38.359 6.448 10.128 1.00 0.00 SOLV H ATOM 3785 H2 TIP3 585 37.841 6.881 11.480 1.00 0.00 SOLV H ATOM 3786 OH2 TIP3 586 55.769 2.624 16.979 1.00 0.00 SOLV O ATOM 3787 H1 TIP3 586 54.968 3.139 17.197 1.00 0.00 SOLV H ATOM 3788 H2 TIP3 586 55.564 2.380 16.064 1.00 0.00 SOLV H ATOM 3789 OH2 TIP3 587 55.771 2.859 1.862 1.00 0.00 SOLV O ATOM 3790 H1 TIP3 587 56.069 2.889 0.921 1.00 0.00 SOLV H ATOM 3791 H2 TIP3 587 56.461 3.395 2.299 1.00 0.00 SOLV H ATOM 3792 OH2 TIP3 588 38.138 2.501 4.960 1.00 0.00 SOLV O ATOM 3793 H1 TIP3 588 37.170 2.650 4.990 1.00 0.00 SOLV H ATOM 3794 H2 TIP3 588 38.422 3.244 4.391 1.00 0.00 SOLV H ATOM 3795 OH2 TIP3 589 52.969 17.717 7.104 1.00 0.00 SOLV O ATOM 3796 H1 TIP3 589 53.580 17.623 6.338 1.00 0.00 SOLV H ATOM 3797 H2 TIP3 589 53.553 18.150 7.739 1.00 0.00 SOLV H ATOM 3798 OH2 TIP3 590 38.284 2.024 13.737 1.00 0.00 SOLV O ATOM 3799 H1 TIP3 590 38.048 1.084 13.771 1.00 0.00 SOLV H ATOM 3800 H2 TIP3 590 37.798 2.332 12.952 1.00 0.00 SOLV H ATOM 3801 OH2 TIP3 591 40.319 14.868 17.432 1.00 0.00 SOLV O ATOM 3802 H1 TIP3 591 39.407 14.896 17.082 1.00 0.00 SOLV H ATOM 3803 H2 TIP3 591 40.176 14.552 18.333 1.00 0.00 SOLV H ATOM 3804 OH2 TIP3 592 43.372 15.756 13.755 1.00 0.00 SOLV O ATOM 3805 H1 TIP3 592 43.100 16.657 13.479 1.00 0.00 SOLV H ATOM 3806 H2 TIP3 592 44.326 15.826 13.545 1.00 0.00 SOLV H ATOM 3807 OH2 TIP3 593 47.409 16.926 16.569 1.00 0.00 SOLV O ATOM 3808 H1 TIP3 593 47.547 16.642 17.500 1.00 0.00 SOLV H ATOM 3809 H2 TIP3 593 48.234 17.431 16.412 1.00 0.00 SOLV H ATOM 3810 OH2 TIP3 594 49.709 18.390 16.163 1.00 0.00 SOLV O ATOM 3811 H1 TIP3 594 50.408 17.833 15.793 1.00 0.00 SOLV H ATOM 3812 H2 TIP3 594 50.139 18.707 16.987 1.00 0.00 SOLV H ATOM 3813 OH2 TIP3 595 54.537 0.811 14.537 1.00 0.00 SOLV O ATOM 3814 H1 TIP3 595 54.064 1.518 14.046 1.00 0.00 SOLV H ATOM 3815 H2 TIP3 595 54.418 0.056 13.943 1.00 0.00 SOLV H ATOM 3816 OH2 TIP3 596 40.472 18.791 13.880 1.00 0.00 SOLV O ATOM 3817 H1 TIP3 596 39.637 19.181 13.537 1.00 0.00 SOLV H ATOM 3818 H2 TIP3 596 40.552 19.270 14.722 1.00 0.00 SOLV H ATOM 3819 OH2 TIP3 597 43.060 18.374 13.029 1.00 0.00 SOLV O ATOM 3820 H1 TIP3 597 42.120 18.555 13.262 1.00 0.00 SOLV H ATOM 3821 H2 TIP3 597 43.158 18.888 12.204 1.00 0.00 SOLV H ATOM 3822 OH2 TIP3 598 47.714 18.150 12.160 1.00 0.00 SOLV O ATOM 3823 H1 TIP3 598 47.232 18.555 11.419 1.00 0.00 SOLV H ATOM 3824 H2 TIP3 598 47.798 18.900 12.785 1.00 0.00 SOLV H ATOM 3825 OH2 TIP3 599 50.055 16.943 13.160 1.00 0.00 SOLV O ATOM 3826 H1 TIP3 599 49.239 17.337 12.794 1.00 0.00 SOLV H ATOM 3827 H2 TIP3 599 50.717 17.615 12.932 1.00 0.00 SOLV H ATOM 3828 OH2 TIP3 600 52.502 18.585 13.186 1.00 0.00 SOLV O ATOM 3829 H1 TIP3 600 52.625 19.512 12.893 1.00 0.00 SOLV H ATOM 3830 H2 TIP3 600 52.882 18.091 12.424 1.00 0.00 SOLV H ATOM 3831 OH2 TIP3 601 40.101 17.420 10.648 1.00 0.00 SOLV O ATOM 3832 H1 TIP3 601 40.013 16.886 11.466 1.00 0.00 SOLV H ATOM 3833 H2 TIP3 601 40.883 16.968 10.255 1.00 0.00 SOLV H ATOM 3834 OH2 TIP3 602 42.182 16.097 9.548 1.00 0.00 SOLV O ATOM 3835 H1 TIP3 602 42.036 15.166 9.849 1.00 0.00 SOLV H ATOM 3836 H2 TIP3 602 43.097 16.245 9.865 1.00 0.00 SOLV H ATOM 3837 OH2 TIP3 603 44.825 16.407 10.496 1.00 0.00 SOLV O ATOM 3838 H1 TIP3 603 44.950 15.461 10.273 1.00 0.00 SOLV H ATOM 3839 H2 TIP3 603 45.143 16.385 11.422 1.00 0.00 SOLV H ATOM 3840 OH2 TIP3 604 53.522 1.433 9.691 1.00 0.00 SOLV O ATOM 3841 H1 TIP3 604 54.282 1.571 9.099 1.00 0.00 SOLV H ATOM 3842 H2 TIP3 604 52.969 0.851 9.142 1.00 0.00 SOLV H ATOM 3843 OH2 TIP3 605 55.271 1.461 7.560 1.00 0.00 SOLV O ATOM 3844 H1 TIP3 605 55.811 0.991 6.913 1.00 0.00 SOLV H ATOM 3845 H2 TIP3 605 55.802 2.292 7.665 1.00 0.00 SOLV H ATOM 3846 OH2 TIP3 606 40.808 0.796 7.008 1.00 0.00 SOLV O ATOM 3847 H1 TIP3 606 40.108 0.894 6.346 1.00 0.00 SOLV H ATOM 3848 H2 TIP3 606 41.045 -0.138 6.927 1.00 0.00 SOLV H ATOM 3849 OH2 TIP3 607 39.570 0.694 3.357 1.00 0.00 SOLV O ATOM 3850 H1 TIP3 607 40.084 1.288 2.765 1.00 0.00 SOLV H ATOM 3851 H2 TIP3 607 38.932 1.318 3.751 1.00 0.00 SOLV H ATOM 3852 OH2 TIP3 608 45.209 1.747 6.989 1.00 0.00 SOLV O ATOM 3853 H1 TIP3 608 46.099 1.446 7.206 1.00 0.00 SOLV H ATOM 3854 H2 TIP3 608 44.861 1.811 7.897 1.00 0.00 SOLV H ATOM 3855 OH2 TIP3 609 49.872 1.622 7.810 1.00 0.00 SOLV O ATOM 3856 H1 TIP3 609 50.741 1.346 7.475 1.00 0.00 SOLV H ATOM 3857 H2 TIP3 609 49.800 1.013 8.560 1.00 0.00 SOLV H ATOM 3858 OH2 TIP3 610 52.008 1.471 4.495 1.00 0.00 SOLV O ATOM 3859 H1 TIP3 610 51.116 1.529 4.126 1.00 0.00 SOLV H ATOM 3860 H2 TIP3 610 52.167 0.498 4.448 1.00 0.00 SOLV H ATOM 3861 OH2 TIP3 611 39.395 16.851 3.797 1.00 0.00 SOLV O ATOM 3862 H1 TIP3 611 38.630 16.690 3.222 1.00 0.00 SOLV H ATOM 3863 H2 TIP3 611 39.444 17.826 3.759 1.00 0.00 SOLV H ATOM 3864 OH2 TIP3 612 41.382 2.115 1.889 1.00 0.00 SOLV O ATOM 3865 H1 TIP3 612 41.630 2.006 0.965 1.00 0.00 SOLV H ATOM 3866 H2 TIP3 612 42.139 2.603 2.260 1.00 0.00 SOLV H ATOM 3867 OH2 TIP3 613 46.291 3.040 3.971 1.00 0.00 SOLV O ATOM 3868 H1 TIP3 613 46.303 2.116 4.263 1.00 0.00 SOLV H ATOM 3869 H2 TIP3 613 46.526 3.506 4.799 1.00 0.00 SOLV H ATOM 3870 OH2 TIP3 614 48.031 18.322 2.016 1.00 0.00 SOLV O ATOM 3871 H1 TIP3 614 49.017 18.303 2.108 1.00 0.00 SOLV H ATOM 3872 H2 TIP3 614 47.930 17.418 1.633 1.00 0.00 SOLV H ATOM 3873 OH2 TIP3 615 54.883 17.432 5.168 1.00 0.00 SOLV O ATOM 3874 H1 TIP3 615 54.750 16.509 4.849 1.00 0.00 SOLV H ATOM 3875 H2 TIP3 615 54.658 17.922 4.341 1.00 0.00 SOLV H ATOM 3876 OH2 TIP3 616 40.591 1.836 16.530 1.00 0.00 SOLV O ATOM 3877 H1 TIP3 616 39.966 1.112 16.384 1.00 0.00 SOLV H ATOM 3878 H2 TIP3 616 41.231 1.423 17.147 1.00 0.00 SOLV H ATOM 3879 OH2 TIP3 617 42.519 1.213 18.476 1.00 0.00 SOLV O ATOM 3880 H1 TIP3 617 43.351 1.505 18.088 1.00 0.00 SOLV H ATOM 3881 H2 TIP3 617 42.762 0.330 18.844 1.00 0.00 SOLV H ATOM 3882 OH2 TIP3 618 41.003 17.526 0.842 1.00 0.00 SOLV O ATOM 3883 H1 TIP3 618 40.472 17.678 1.636 1.00 0.00 SOLV H ATOM 3884 H2 TIP3 618 41.726 16.989 1.186 1.00 0.00 SOLV H ATOM 3885 OH2 TIP3 619 53.942 16.151 17.131 1.00 0.00 SOLV O ATOM 3886 H1 TIP3 619 53.305 16.130 16.386 1.00 0.00 SOLV H ATOM 3887 H2 TIP3 619 53.860 17.085 17.409 1.00 0.00 SOLV H ATOM 3888 OH2 TIP3 620 68.429 9.778 6.700 1.00 0.00 SOLV O ATOM 3889 H1 TIP3 620 68.662 10.692 6.939 1.00 0.00 SOLV H ATOM 3890 H2 TIP3 620 67.562 9.941 6.314 1.00 0.00 SOLV H ATOM 3891 OH2 TIP3 621 67.074 9.554 10.680 1.00 0.00 SOLV O ATOM 3892 H1 TIP3 621 67.917 9.090 10.840 1.00 0.00 SOLV H ATOM 3893 H2 TIP3 621 66.682 9.003 9.987 1.00 0.00 SOLV H ATOM 3894 OH2 TIP3 622 59.635 8.897 12.206 1.00 0.00 SOLV O ATOM 3895 H1 TIP3 622 59.662 8.096 12.761 1.00 0.00 SOLV H ATOM 3896 H2 TIP3 622 60.585 9.042 12.032 1.00 0.00 SOLV H ATOM 3897 OH2 TIP3 623 60.810 13.501 10.442 1.00 0.00 SOLV O ATOM 3898 H1 TIP3 623 60.616 12.574 10.195 1.00 0.00 SOLV H ATOM 3899 H2 TIP3 623 61.789 13.466 10.492 1.00 0.00 SOLV H ATOM 3900 OH2 TIP3 624 57.464 6.796 5.877 1.00 0.00 SOLV O ATOM 3901 H1 TIP3 624 57.119 7.673 6.127 1.00 0.00 SOLV H ATOM 3902 H2 TIP3 624 56.919 6.632 5.081 1.00 0.00 SOLV H ATOM 3903 OH2 TIP3 625 57.926 9.111 8.386 1.00 0.00 SOLV O ATOM 3904 H1 TIP3 625 58.269 8.209 8.574 1.00 0.00 SOLV H ATOM 3905 H2 TIP3 625 58.706 9.548 8.017 1.00 0.00 SOLV H ATOM 3906 OH2 TIP3 626 67.498 17.270 8.965 1.00 0.00 SOLV O ATOM 3907 H1 TIP3 626 68.453 17.148 8.774 1.00 0.00 SOLV H ATOM 3908 H2 TIP3 626 67.463 17.216 9.929 1.00 0.00 SOLV H ATOM 3909 OH2 TIP3 627 65.592 11.880 11.070 1.00 0.00 SOLV O ATOM 3910 H1 TIP3 627 65.989 11.001 10.871 1.00 0.00 SOLV H ATOM 3911 H2 TIP3 627 66.385 12.313 11.437 1.00 0.00 SOLV H ATOM 3912 OH2 TIP3 628 68.390 5.007 11.313 1.00 0.00 SOLV O ATOM 3913 H1 TIP3 628 68.918 4.369 10.821 1.00 0.00 SOLV H ATOM 3914 H2 TIP3 628 68.670 5.853 10.928 1.00 0.00 SOLV H ATOM 3915 OH2 TIP3 629 62.114 4.214 8.496 1.00 0.00 SOLV O ATOM 3916 H1 TIP3 629 62.342 5.085 8.094 1.00 0.00 SOLV H ATOM 3917 H2 TIP3 629 61.412 3.946 7.886 1.00 0.00 SOLV H ATOM 3918 OH2 TIP3 630 58.797 6.611 9.137 1.00 0.00 SOLV O ATOM 3919 H1 TIP3 630 59.477 6.282 9.756 1.00 0.00 SOLV H ATOM 3920 H2 TIP3 630 58.973 6.032 8.367 1.00 0.00 SOLV H ATOM 3921 OH2 TIP3 631 63.698 8.183 9.149 1.00 0.00 SOLV O ATOM 3922 H1 TIP3 631 64.413 7.522 9.287 1.00 0.00 SOLV H ATOM 3923 H2 TIP3 631 63.626 8.210 8.181 1.00 0.00 SOLV H ATOM 3924 OH2 TIP3 632 61.048 3.268 12.661 1.00 0.00 SOLV O ATOM 3925 H1 TIP3 632 60.779 3.906 11.972 1.00 0.00 SOLV H ATOM 3926 H2 TIP3 632 60.327 3.406 13.314 1.00 0.00 SOLV H ATOM 3927 OH2 TIP3 633 68.100 12.733 6.123 1.00 0.00 SOLV O ATOM 3928 H1 TIP3 633 67.906 12.902 5.186 1.00 0.00 SOLV H ATOM 3929 H2 TIP3 633 67.830 13.585 6.522 1.00 0.00 SOLV H ATOM 3930 OH2 TIP3 634 63.636 10.947 12.660 1.00 0.00 SOLV O ATOM 3931 H1 TIP3 634 63.117 11.704 13.014 1.00 0.00 SOLV H ATOM 3932 H2 TIP3 634 64.306 11.413 12.111 1.00 0.00 SOLV H ATOM 3933 OH2 TIP3 635 60.598 5.018 10.569 1.00 0.00 SOLV O ATOM 3934 H1 TIP3 635 61.214 5.588 11.084 1.00 0.00 SOLV H ATOM 3935 H2 TIP3 635 61.218 4.697 9.873 1.00 0.00 SOLV H ATOM 3936 OH2 TIP3 636 62.108 13.013 13.696 1.00 0.00 SOLV O ATOM 3937 H1 TIP3 636 62.098 13.976 13.517 1.00 0.00 SOLV H ATOM 3938 H2 TIP3 636 61.166 12.880 13.938 1.00 0.00 SOLV H ATOM 3939 OH2 TIP3 637 57.805 12.618 4.405 1.00 0.00 SOLV O ATOM 3940 H1 TIP3 637 57.782 13.078 3.542 1.00 0.00 SOLV H ATOM 3941 H2 TIP3 637 58.161 13.326 4.981 1.00 0.00 SOLV H ATOM 3942 OH2 TIP3 638 64.488 0.831 9.638 1.00 0.00 SOLV O ATOM 3943 H1 TIP3 638 64.857 0.043 10.084 1.00 0.00 SOLV H ATOM 3944 H2 TIP3 638 63.697 1.008 10.194 1.00 0.00 SOLV H ATOM 3945 OH2 TIP3 639 67.318 9.386 3.866 1.00 0.00 SOLV O ATOM 3946 H1 TIP3 639 66.466 9.867 3.877 1.00 0.00 SOLV H ATOM 3947 H2 TIP3 639 67.928 10.130 3.989 1.00 0.00 SOLV H ATOM 3948 OH2 TIP3 640 67.003 7.390 1.254 1.00 0.00 SOLV O ATOM 3949 H1 TIP3 640 67.449 7.858 1.974 1.00 0.00 SOLV H ATOM 3950 H2 TIP3 640 67.626 6.691 1.005 1.00 0.00 SOLV H ATOM 3951 OH2 TIP3 641 63.568 13.590 10.083 1.00 0.00 SOLV O ATOM 3952 H1 TIP3 641 63.662 13.589 9.113 1.00 0.00 SOLV H ATOM 3953 H2 TIP3 641 64.272 12.967 10.361 1.00 0.00 SOLV H ATOM 3954 OH2 TIP3 642 62.253 9.049 11.256 1.00 0.00 SOLV O ATOM 3955 H1 TIP3 642 62.816 8.773 10.486 1.00 0.00 SOLV H ATOM 3956 H2 TIP3 642 62.844 9.695 11.707 1.00 0.00 SOLV H ATOM 3957 OH2 TIP3 643 68.300 14.885 12.771 1.00 0.00 SOLV O ATOM 3958 H1 TIP3 643 69.264 15.062 12.895 1.00 0.00 SOLV H ATOM 3959 H2 TIP3 643 68.241 13.919 12.848 1.00 0.00 SOLV H ATOM 3960 OH2 TIP3 644 63.586 13.263 15.969 1.00 0.00 SOLV O ATOM 3961 H1 TIP3 644 62.959 13.941 16.305 1.00 0.00 SOLV H ATOM 3962 H2 TIP3 644 63.139 13.029 15.126 1.00 0.00 SOLV H ATOM 3963 OH2 TIP3 645 60.531 9.235 15.359 1.00 0.00 SOLV O ATOM 3964 H1 TIP3 645 60.585 10.075 15.854 1.00 0.00 SOLV H ATOM 3965 H2 TIP3 645 59.590 9.253 15.084 1.00 0.00 SOLV H ATOM 3966 OH2 TIP3 646 67.475 15.439 6.746 1.00 0.00 SOLV O ATOM 3967 H1 TIP3 646 67.302 16.010 7.519 1.00 0.00 SOLV H ATOM 3968 H2 TIP3 646 67.261 16.045 6.020 1.00 0.00 SOLV H ATOM 3969 OH2 TIP3 647 61.744 15.214 16.543 1.00 0.00 SOLV O ATOM 3970 H1 TIP3 647 61.730 15.515 15.611 1.00 0.00 SOLV H ATOM 3971 H2 TIP3 647 60.788 15.092 16.740 1.00 0.00 SOLV H ATOM 3972 OH2 TIP3 648 57.287 11.667 13.973 1.00 0.00 SOLV O ATOM 3973 H1 TIP3 648 56.786 11.741 13.132 1.00 0.00 SOLV H ATOM 3974 H2 TIP3 648 57.494 10.712 14.018 1.00 0.00 SOLV H ATOM 3975 OH2 TIP3 649 57.194 14.428 10.617 1.00 0.00 SOLV O ATOM 3976 H1 TIP3 649 58.141 14.239 10.686 1.00 0.00 SOLV H ATOM 3977 H2 TIP3 649 57.075 15.080 11.324 1.00 0.00 SOLV H ATOM 3978 OH2 TIP3 650 66.063 14.314 15.535 1.00 0.00 SOLV O ATOM 3979 H1 TIP3 650 65.968 15.242 15.785 1.00 0.00 SOLV H ATOM 3980 H2 TIP3 650 65.164 13.965 15.699 1.00 0.00 SOLV H ATOM 3981 OH2 TIP3 651 66.865 18.228 5.085 1.00 0.00 SOLV O ATOM 3982 H1 TIP3 651 66.794 18.461 4.149 1.00 0.00 SOLV H ATOM 3983 H2 TIP3 651 66.762 19.073 5.541 1.00 0.00 SOLV H ATOM 3984 OH2 TIP3 652 60.353 17.040 7.072 1.00 0.00 SOLV O ATOM 3985 H1 TIP3 652 60.519 16.705 7.979 1.00 0.00 SOLV H ATOM 3986 H2 TIP3 652 59.832 16.313 6.684 1.00 0.00 SOLV H ATOM 3987 OH2 TIP3 653 59.542 13.068 14.676 1.00 0.00 SOLV O ATOM 3988 H1 TIP3 653 59.757 12.631 15.524 1.00 0.00 SOLV H ATOM 3989 H2 TIP3 653 58.724 12.594 14.415 1.00 0.00 SOLV H ATOM 3990 OH2 TIP3 654 62.212 1.136 11.278 1.00 0.00 SOLV O ATOM 3991 H1 TIP3 654 61.369 1.092 10.784 1.00 0.00 SOLV H ATOM 3992 H2 TIP3 654 61.989 1.885 11.869 1.00 0.00 SOLV H ATOM 3993 OH2 TIP3 655 66.844 1.376 14.407 1.00 0.00 SOLV O ATOM 3994 H1 TIP3 655 67.143 0.474 14.632 1.00 0.00 SOLV H ATOM 3995 H2 TIP3 655 65.877 1.249 14.428 1.00 0.00 SOLV H ATOM 3996 OH2 TIP3 656 66.797 3.483 2.033 1.00 0.00 SOLV O ATOM 3997 H1 TIP3 656 66.110 3.166 2.651 1.00 0.00 SOLV H ATOM 3998 H2 TIP3 656 66.434 3.253 1.172 1.00 0.00 SOLV H ATOM 3999 OH2 TIP3 657 62.281 6.459 12.153 1.00 0.00 SOLV O ATOM 4000 H1 TIP3 657 61.623 6.529 12.877 1.00 0.00 SOLV H ATOM 4001 H2 TIP3 657 62.331 7.391 11.853 1.00 0.00 SOLV H ATOM 4002 OH2 TIP3 658 62.115 6.483 7.032 1.00 0.00 SOLV O ATOM 4003 H1 TIP3 658 62.092 7.457 6.865 1.00 0.00 SOLV H ATOM 4004 H2 TIP3 658 62.553 6.216 6.205 1.00 0.00 SOLV H ATOM 4005 OH2 TIP3 659 67.506 6.936 5.363 1.00 0.00 SOLV O ATOM 4006 H1 TIP3 659 67.020 7.613 5.857 1.00 0.00 SOLV H ATOM 4007 H2 TIP3 659 67.550 7.372 4.493 1.00 0.00 SOLV H ATOM 4008 OH2 TIP3 660 67.119 6.998 17.077 1.00 0.00 SOLV O ATOM 4009 H1 TIP3 660 66.582 6.263 17.447 1.00 0.00 SOLV H ATOM 4010 H2 TIP3 660 68.023 6.652 17.166 1.00 0.00 SOLV H ATOM 4011 OH2 TIP3 661 68.178 6.081 8.467 1.00 0.00 SOLV O ATOM 4012 H1 TIP3 661 68.566 6.781 7.934 1.00 0.00 SOLV H ATOM 4013 H2 TIP3 661 68.632 5.293 8.106 1.00 0.00 SOLV H ATOM 4014 OH2 TIP3 662 60.065 6.586 13.783 1.00 0.00 SOLV O ATOM 4015 H1 TIP3 662 60.282 7.004 14.629 1.00 0.00 SOLV H ATOM 4016 H2 TIP3 662 59.658 5.739 14.068 1.00 0.00 SOLV H ATOM 4017 OH2 TIP3 663 62.640 3.596 0.196 1.00 0.00 SOLV O ATOM 4018 H1 TIP3 663 62.801 3.725 1.139 1.00 0.00 SOLV H ATOM 4019 H2 TIP3 663 62.693 4.512 -0.143 1.00 0.00 SOLV H ATOM 4020 OH2 TIP3 664 56.858 3.621 7.750 1.00 0.00 SOLV O ATOM 4021 H1 TIP3 664 57.292 3.643 8.627 1.00 0.00 SOLV H ATOM 4022 H2 TIP3 664 57.426 4.249 7.264 1.00 0.00 SOLV H ATOM 4023 OH2 TIP3 665 57.682 4.496 3.131 1.00 0.00 SOLV O ATOM 4024 H1 TIP3 665 58.337 4.932 2.538 1.00 0.00 SOLV H ATOM 4025 H2 TIP3 665 57.148 5.279 3.365 1.00 0.00 SOLV H ATOM 4026 OH2 TIP3 666 68.260 7.761 13.493 1.00 0.00 SOLV O ATOM 4027 H1 TIP3 666 68.513 7.481 12.590 1.00 0.00 SOLV H ATOM 4028 H2 TIP3 666 67.535 7.138 13.697 1.00 0.00 SOLV H ATOM 4029 OH2 TIP3 667 64.929 4.154 8.032 1.00 0.00 SOLV O ATOM 4030 H1 TIP3 667 64.123 4.109 8.571 1.00 0.00 SOLV H ATOM 4031 H2 TIP3 667 65.613 3.807 8.633 1.00 0.00 SOLV H ATOM 4032 OH2 TIP3 668 59.192 5.006 6.841 1.00 0.00 SOLV O ATOM 4033 H1 TIP3 668 58.621 5.707 6.444 1.00 0.00 SOLV H ATOM 4034 H2 TIP3 668 59.976 5.071 6.271 1.00 0.00 SOLV H ATOM 4035 OH2 TIP3 669 62.846 5.323 4.499 1.00 0.00 SOLV O ATOM 4036 H1 TIP3 669 63.791 5.434 4.752 1.00 0.00 SOLV H ATOM 4037 H2 TIP3 669 62.748 5.941 3.746 1.00 0.00 SOLV H ATOM 4038 OH2 TIP3 670 62.191 6.715 2.135 1.00 0.00 SOLV O ATOM 4039 H1 TIP3 670 61.516 7.360 2.416 1.00 0.00 SOLV H ATOM 4040 H2 TIP3 670 62.957 7.281 1.913 1.00 0.00 SOLV H ATOM 4041 OH2 TIP3 671 60.338 11.557 17.001 1.00 0.00 SOLV O ATOM 4042 H1 TIP3 671 61.007 11.571 17.711 1.00 0.00 SOLV H ATOM 4043 H2 TIP3 671 59.517 11.498 17.526 1.00 0.00 SOLV H ATOM 4044 OH2 TIP3 672 65.822 6.539 9.796 1.00 0.00 SOLV O ATOM 4045 H1 TIP3 672 66.654 6.303 9.327 1.00 0.00 SOLV H ATOM 4046 H2 TIP3 672 65.839 5.907 10.534 1.00 0.00 SOLV H ATOM 4047 OH2 TIP3 673 61.384 2.751 6.096 1.00 0.00 SOLV O ATOM 4048 H1 TIP3 673 61.354 2.031 6.750 1.00 0.00 SOLV H ATOM 4049 H2 TIP3 673 62.330 2.969 6.155 1.00 0.00 SOLV H ATOM 4050 OH2 TIP3 674 64.734 5.214 12.329 1.00 0.00 SOLV O ATOM 4051 H1 TIP3 674 63.951 5.787 12.206 1.00 0.00 SOLV H ATOM 4052 H2 TIP3 674 65.251 5.699 13.007 1.00 0.00 SOLV H ATOM 4053 OH2 TIP3 675 65.278 11.268 4.013 1.00 0.00 SOLV O ATOM 4054 H1 TIP3 675 64.452 10.894 3.638 1.00 0.00 SOLV H ATOM 4055 H2 TIP3 675 64.976 11.455 4.939 1.00 0.00 SOLV H ATOM 4056 OH2 TIP3 676 67.056 11.815 14.928 1.00 0.00 SOLV O ATOM 4057 H1 TIP3 676 66.729 11.460 15.759 1.00 0.00 SOLV H ATOM 4058 H2 TIP3 676 66.863 12.771 15.038 1.00 0.00 SOLV H ATOM 4059 OH2 TIP3 677 60.735 10.805 9.637 1.00 0.00 SOLV O ATOM 4060 H1 TIP3 677 61.200 10.559 8.829 1.00 0.00 SOLV H ATOM 4061 H2 TIP3 677 61.107 10.175 10.281 1.00 0.00 SOLV H ATOM 4062 OH2 TIP3 678 67.436 12.712 3.292 1.00 0.00 SOLV O ATOM 4063 H1 TIP3 678 67.102 13.639 3.352 1.00 0.00 SOLV H ATOM 4064 H2 TIP3 678 66.625 12.220 3.538 1.00 0.00 SOLV H ATOM 4065 OH2 TIP3 679 57.750 9.092 15.024 1.00 0.00 SOLV O ATOM 4066 H1 TIP3 679 57.568 8.740 15.915 1.00 0.00 SOLV H ATOM 4067 H2 TIP3 679 57.065 8.638 14.503 1.00 0.00 SOLV H ATOM 4068 OH2 TIP3 680 64.845 8.784 17.152 1.00 0.00 SOLV O ATOM 4069 H1 TIP3 680 64.285 8.473 16.420 1.00 0.00 SOLV H ATOM 4070 H2 TIP3 680 65.673 8.295 16.970 1.00 0.00 SOLV H ATOM 4071 OH2 TIP3 681 62.961 14.240 7.210 1.00 0.00 SOLV O ATOM 4072 H1 TIP3 681 63.239 15.117 6.879 1.00 0.00 SOLV H ATOM 4073 H2 TIP3 681 62.023 14.252 6.995 1.00 0.00 SOLV H ATOM 4074 OH2 TIP3 682 58.691 8.826 1.635 1.00 0.00 SOLV O ATOM 4075 H1 TIP3 682 59.166 9.568 2.077 1.00 0.00 SOLV H ATOM 4076 H2 TIP3 682 57.803 8.940 2.026 1.00 0.00 SOLV H ATOM 4077 OH2 TIP3 683 64.221 11.826 6.396 1.00 0.00 SOLV O ATOM 4078 H1 TIP3 683 63.696 12.558 6.766 1.00 0.00 SOLV H ATOM 4079 H2 TIP3 683 63.604 11.063 6.378 1.00 0.00 SOLV H ATOM 4080 OH2 TIP3 684 64.923 16.043 12.960 1.00 0.00 SOLV O ATOM 4081 H1 TIP3 684 65.506 16.780 12.653 1.00 0.00 SOLV H ATOM 4082 H2 TIP3 684 65.602 15.381 13.169 1.00 0.00 SOLV H ATOM 4083 OH2 TIP3 685 62.979 17.012 6.135 1.00 0.00 SOLV O ATOM 4084 H1 TIP3 685 62.052 17.204 6.380 1.00 0.00 SOLV H ATOM 4085 H2 TIP3 685 63.425 17.833 6.445 1.00 0.00 SOLV H ATOM 4086 OH2 TIP3 686 68.028 12.138 12.387 1.00 0.00 SOLV O ATOM 4087 H1 TIP3 686 67.677 11.701 13.200 1.00 0.00 SOLV H ATOM 4088 H2 TIP3 686 68.456 11.395 11.896 1.00 0.00 SOLV H ATOM 4089 OH2 TIP3 687 59.051 3.990 14.429 1.00 0.00 SOLV O ATOM 4090 H1 TIP3 687 58.166 3.768 14.076 1.00 0.00 SOLV H ATOM 4091 H2 TIP3 687 59.135 3.283 15.096 1.00 0.00 SOLV H ATOM 4092 OH2 TIP3 688 58.846 15.606 12.806 1.00 0.00 SOLV O ATOM 4093 H1 TIP3 688 59.156 14.754 13.158 1.00 0.00 SOLV H ATOM 4094 H2 TIP3 688 59.131 16.218 13.498 1.00 0.00 SOLV H ATOM 4095 OH2 TIP3 689 64.714 14.186 0.365 1.00 0.00 SOLV O ATOM 4096 H1 TIP3 689 65.082 13.326 0.114 1.00 0.00 SOLV H ATOM 4097 H2 TIP3 689 64.180 13.970 1.163 1.00 0.00 SOLV H ATOM 4098 OH2 TIP3 690 63.390 13.774 2.755 1.00 0.00 SOLV O ATOM 4099 H1 TIP3 690 63.838 13.283 3.456 1.00 0.00 SOLV H ATOM 4100 H2 TIP3 690 63.494 14.701 3.077 1.00 0.00 SOLV H ATOM 4101 OH2 TIP3 691 59.658 10.927 3.039 1.00 0.00 SOLV O ATOM 4102 H1 TIP3 691 59.125 11.324 3.750 1.00 0.00 SOLV H ATOM 4103 H2 TIP3 691 60.250 11.662 2.808 1.00 0.00 SOLV H ATOM 4104 OH2 TIP3 692 67.708 3.951 14.399 1.00 0.00 SOLV O ATOM 4105 H1 TIP3 692 68.470 3.650 13.879 1.00 0.00 SOLV H ATOM 4106 H2 TIP3 692 67.248 3.091 14.507 1.00 0.00 SOLV H ATOM 4107 OH2 TIP3 693 68.074 3.653 4.746 1.00 0.00 SOLV O ATOM 4108 H1 TIP3 693 68.014 3.849 3.792 1.00 0.00 SOLV H ATOM 4109 H2 TIP3 693 68.553 4.429 5.076 1.00 0.00 SOLV H ATOM 4110 OH2 TIP3 694 66.381 15.172 3.547 1.00 0.00 SOLV O ATOM 4111 H1 TIP3 694 65.535 15.526 3.879 1.00 0.00 SOLV H ATOM 4112 H2 TIP3 694 66.421 15.626 2.683 1.00 0.00 SOLV H ATOM 4113 OH2 TIP3 695 65.354 5.132 5.537 1.00 0.00 SOLV O ATOM 4114 H1 TIP3 695 66.172 5.658 5.618 1.00 0.00 SOLV H ATOM 4115 H2 TIP3 695 65.232 4.827 6.469 1.00 0.00 SOLV H ATOM 4116 OH2 TIP3 696 66.234 6.174 14.427 1.00 0.00 SOLV O ATOM 4117 H1 TIP3 696 66.411 6.407 15.357 1.00 0.00 SOLV H ATOM 4118 H2 TIP3 696 66.762 5.346 14.345 1.00 0.00 SOLV H ATOM 4119 OH2 TIP3 697 66.344 2.264 6.263 1.00 0.00 SOLV O ATOM 4120 H1 TIP3 697 66.608 2.437 7.196 1.00 0.00 SOLV H ATOM 4121 H2 TIP3 697 66.979 2.841 5.783 1.00 0.00 SOLV H ATOM 4122 OH2 TIP3 698 63.868 16.273 3.660 1.00 0.00 SOLV O ATOM 4123 H1 TIP3 698 63.879 17.110 3.143 1.00 0.00 SOLV H ATOM 4124 H2 TIP3 698 63.545 16.593 4.534 1.00 0.00 SOLV H ATOM 4125 OH2 TIP3 699 62.397 2.994 3.263 1.00 0.00 SOLV O ATOM 4126 H1 TIP3 699 62.362 3.872 3.720 1.00 0.00 SOLV H ATOM 4127 H2 TIP3 699 63.355 2.808 3.408 1.00 0.00 SOLV H ATOM 4128 OH2 TIP3 700 60.771 13.285 1.862 1.00 0.00 SOLV O ATOM 4129 H1 TIP3 700 61.599 13.635 2.249 1.00 0.00 SOLV H ATOM 4130 H2 TIP3 700 61.156 12.712 1.168 1.00 0.00 SOLV H ATOM 4131 OH2 TIP3 701 58.907 6.154 1.334 1.00 0.00 SOLV O ATOM 4132 H1 TIP3 701 58.961 7.120 1.523 1.00 0.00 SOLV H ATOM 4133 H2 TIP3 701 58.457 6.171 0.486 1.00 0.00 SOLV H ATOM 4134 OH2 TIP3 702 59.797 0.947 9.883 1.00 0.00 SOLV O ATOM 4135 H1 TIP3 702 59.903 1.106 8.941 1.00 0.00 SOLV H ATOM 4136 H2 TIP3 702 59.899 -0.032 9.920 1.00 0.00 SOLV H ATOM 4137 OH2 TIP3 703 58.629 14.916 5.802 1.00 0.00 SOLV O ATOM 4138 H1 TIP3 703 57.951 15.142 6.453 1.00 0.00 SOLV H ATOM 4139 H2 TIP3 703 58.475 15.602 5.105 1.00 0.00 SOLV H ATOM 4140 OH2 TIP3 704 58.087 17.923 17.585 1.00 0.00 SOLV O ATOM 4141 H1 TIP3 704 58.789 17.655 18.223 1.00 0.00 SOLV H ATOM 4142 H2 TIP3 704 57.771 17.053 17.290 1.00 0.00 SOLV H ATOM 4143 OH2 TIP3 705 62.336 16.277 18.987 1.00 0.00 SOLV O ATOM 4144 H1 TIP3 705 63.186 15.838 19.160 1.00 0.00 SOLV H ATOM 4145 H2 TIP3 705 62.148 15.925 18.091 1.00 0.00 SOLV H ATOM 4146 OH2 TIP3 706 66.428 16.208 1.009 1.00 0.00 SOLV O ATOM 4147 H1 TIP3 706 65.727 15.564 0.672 1.00 0.00 SOLV H ATOM 4148 H2 TIP3 706 67.213 15.779 0.682 1.00 0.00 SOLV H ATOM 4149 OH2 TIP3 707 57.885 11.509 18.367 1.00 0.00 SOLV O ATOM 4150 H1 TIP3 707 57.900 10.539 18.228 1.00 0.00 SOLV H ATOM 4151 H2 TIP3 707 57.198 11.786 17.721 1.00 0.00 SOLV H ATOM 4152 OH2 TIP3 708 62.393 11.491 0.546 1.00 0.00 SOLV O ATOM 4153 H1 TIP3 708 62.602 11.001 1.377 1.00 0.00 SOLV H ATOM 4154 H2 TIP3 708 63.235 11.911 0.348 1.00 0.00 SOLV H ATOM 4155 OH2 TIP3 709 64.404 11.553 17.884 1.00 0.00 SOLV O ATOM 4156 H1 TIP3 709 64.184 12.078 17.080 1.00 0.00 SOLV H ATOM 4157 H2 TIP3 709 64.581 10.666 17.514 1.00 0.00 SOLV H ATOM 4158 OH2 TIP3 710 67.421 12.205 0.457 1.00 0.00 SOLV O ATOM 4159 H1 TIP3 710 67.547 12.436 1.404 1.00 0.00 SOLV H ATOM 4160 H2 TIP3 710 68.256 11.751 0.263 1.00 0.00 SOLV H ATOM 4161 OH2 TIP3 711 58.709 8.861 17.901 1.00 0.00 SOLV O ATOM 4162 H1 TIP3 711 59.460 8.356 17.565 1.00 0.00 SOLV H ATOM 4163 H2 TIP3 711 58.840 8.813 18.870 1.00 0.00 SOLV H ATOM 4164 OH2 TIP3 712 63.161 10.085 2.735 1.00 0.00 SOLV O ATOM 4165 H1 TIP3 712 62.834 9.771 3.611 1.00 0.00 SOLV H ATOM 4166 H2 TIP3 712 63.613 9.300 2.379 1.00 0.00 SOLV H ATOM 4167 OH2 TIP3 713 62.686 7.580 15.177 1.00 0.00 SOLV O ATOM 4168 H1 TIP3 713 62.000 8.281 15.157 1.00 0.00 SOLV H ATOM 4169 H2 TIP3 713 63.420 8.009 14.676 1.00 0.00 SOLV H ATOM 4170 OH2 TIP3 714 64.365 8.009 1.143 1.00 0.00 SOLV O ATOM 4171 H1 TIP3 714 64.366 7.959 0.176 1.00 0.00 SOLV H ATOM 4172 H2 TIP3 714 65.324 7.818 1.305 1.00 0.00 SOLV H ATOM 4173 OH2 TIP3 715 67.850 10.140 18.761 1.00 0.00 SOLV O ATOM 4174 H1 TIP3 715 68.339 9.511 18.211 1.00 0.00 SOLV H ATOM 4175 H2 TIP3 715 67.261 9.526 19.233 1.00 0.00 SOLV H ATOM 4176 OH2 TIP3 716 63.176 5.131 16.106 1.00 0.00 SOLV O ATOM 4177 H1 TIP3 716 63.283 4.510 15.352 1.00 0.00 SOLV H ATOM 4178 H2 TIP3 716 63.036 5.988 15.636 1.00 0.00 SOLV H ATOM 4179 OH2 TIP3 717 63.453 3.403 13.963 1.00 0.00 SOLV O ATOM 4180 H1 TIP3 717 64.016 3.921 13.343 1.00 0.00 SOLV H ATOM 4181 H2 TIP3 717 62.593 3.420 13.490 1.00 0.00 SOLV H ATOM 4182 OH2 TIP3 718 64.706 8.883 14.079 1.00 0.00 SOLV O ATOM 4183 H1 TIP3 718 65.592 8.711 13.735 1.00 0.00 SOLV H ATOM 4184 H2 TIP3 718 64.413 9.655 13.547 1.00 0.00 SOLV H ATOM 4185 OH2 TIP3 719 61.690 5.805 18.380 1.00 0.00 SOLV O ATOM 4186 H1 TIP3 719 60.859 5.303 18.229 1.00 0.00 SOLV H ATOM 4187 H2 TIP3 719 62.126 5.708 17.507 1.00 0.00 SOLV H ATOM 4188 OH2 TIP3 720 64.156 0.821 14.710 1.00 0.00 SOLV O ATOM 4189 H1 TIP3 720 63.881 1.750 14.536 1.00 0.00 SOLV H ATOM 4190 H2 TIP3 720 63.598 0.324 14.097 1.00 0.00 SOLV H ATOM 4191 OH2 TIP3 721 65.382 4.996 17.678 1.00 0.00 SOLV O ATOM 4192 H1 TIP3 721 64.942 4.515 18.406 1.00 0.00 SOLV H ATOM 4193 H2 TIP3 721 64.621 5.049 17.054 1.00 0.00 SOLV H ATOM 4194 OH2 TIP3 722 67.992 3.965 17.529 1.00 0.00 SOLV O ATOM 4195 H1 TIP3 722 67.079 4.221 17.308 1.00 0.00 SOLV H ATOM 4196 H2 TIP3 722 67.871 3.020 17.681 1.00 0.00 SOLV H ATOM 4197 OH2 TIP3 723 59.543 4.139 18.033 1.00 0.00 SOLV O ATOM 4198 H1 TIP3 723 59.524 3.319 17.492 1.00 0.00 SOLV H ATOM 4199 H2 TIP3 723 59.620 3.763 18.937 1.00 0.00 SOLV H ATOM 4200 OH2 TIP3 724 65.353 1.966 18.773 1.00 0.00 SOLV O ATOM 4201 H1 TIP3 724 65.034 1.088 18.507 1.00 0.00 SOLV H ATOM 4202 H2 TIP3 724 64.529 2.480 18.877 1.00 0.00 SOLV H ATOM 4203 OH2 TIP3 725 64.208 18.608 2.210 1.00 0.00 SOLV O ATOM 4204 H1 TIP3 725 65.175 18.726 2.164 1.00 0.00 SOLV H ATOM 4205 H2 TIP3 725 63.879 19.428 1.832 1.00 0.00 SOLV H ATOM 4206 OH2 TIP3 726 57.988 13.520 1.767 1.00 0.00 SOLV O ATOM 4207 H1 TIP3 726 58.966 13.631 1.770 1.00 0.00 SOLV H ATOM 4208 H2 TIP3 726 57.892 12.717 1.239 1.00 0.00 SOLV H ATOM 4209 OH2 TIP3 727 56.828 18.617 6.765 1.00 0.00 SOLV O ATOM 4210 H1 TIP3 727 56.279 18.233 6.046 1.00 0.00 SOLV H ATOM 4211 H2 TIP3 727 57.035 17.808 7.276 1.00 0.00 SOLV H ATOM 4212 OH2 TIP3 728 57.423 16.416 8.406 1.00 0.00 SOLV O ATOM 4213 H1 TIP3 728 56.999 15.705 8.915 1.00 0.00 SOLV H ATOM 4214 H2 TIP3 728 57.907 16.875 9.115 1.00 0.00 SOLV H ATOM 4215 OH2 TIP3 729 57.360 9.778 10.997 1.00 0.00 SOLV O ATOM 4216 H1 TIP3 729 57.538 9.600 10.048 1.00 0.00 SOLV H ATOM 4217 H2 TIP3 729 58.245 9.575 11.385 1.00 0.00 SOLV H ATOM 4218 OH2 TIP3 730 57.170 5.062 17.088 1.00 0.00 SOLV O ATOM 4219 H1 TIP3 730 58.087 4.848 17.361 1.00 0.00 SOLV H ATOM 4220 H2 TIP3 730 56.752 4.185 17.201 1.00 0.00 SOLV H ATOM 4221 OH2 TIP3 731 58.280 3.450 10.079 1.00 0.00 SOLV O ATOM 4222 H1 TIP3 731 58.685 2.592 10.294 1.00 0.00 SOLV H ATOM 4223 H2 TIP3 731 59.013 4.065 10.277 1.00 0.00 SOLV H ATOM 4224 OH2 TIP3 732 56.488 6.316 10.749 1.00 0.00 SOLV O ATOM 4225 H1 TIP3 732 57.242 6.452 10.139 1.00 0.00 SOLV H ATOM 4226 H2 TIP3 732 56.704 6.922 11.468 1.00 0.00 SOLV H ATOM 4227 OH2 TIP3 733 56.875 2.406 4.788 1.00 0.00 SOLV O ATOM 4228 H1 TIP3 733 55.941 2.642 4.952 1.00 0.00 SOLV H ATOM 4229 H2 TIP3 733 57.203 3.240 4.394 1.00 0.00 SOLV H ATOM 4230 OH2 TIP3 734 57.196 2.009 13.632 1.00 0.00 SOLV O ATOM 4231 H1 TIP3 734 56.756 1.166 13.809 1.00 0.00 SOLV H ATOM 4232 H2 TIP3 734 56.663 2.373 12.904 1.00 0.00 SOLV H ATOM 4233 OH2 TIP3 735 59.161 14.957 17.432 1.00 0.00 SOLV O ATOM 4234 H1 TIP3 735 58.273 14.952 17.025 1.00 0.00 SOLV H ATOM 4235 H2 TIP3 735 59.007 14.480 18.254 1.00 0.00 SOLV H ATOM 4236 OH2 TIP3 736 62.291 15.797 13.822 1.00 0.00 SOLV O ATOM 4237 H1 TIP3 736 62.053 16.694 13.500 1.00 0.00 SOLV H ATOM 4238 H2 TIP3 736 63.246 15.812 13.592 1.00 0.00 SOLV H ATOM 4239 OH2 TIP3 737 66.501 17.095 16.754 1.00 0.00 SOLV O ATOM 4240 H1 TIP3 737 66.580 16.662 17.630 1.00 0.00 SOLV H ATOM 4241 H2 TIP3 737 67.370 16.899 16.380 1.00 0.00 SOLV H ATOM 4242 OH2 TIP3 738 59.313 18.731 13.835 1.00 0.00 SOLV O ATOM 4243 H1 TIP3 738 58.559 19.242 13.462 1.00 0.00 SOLV H ATOM 4244 H2 TIP3 738 59.330 19.091 14.731 1.00 0.00 SOLV H ATOM 4245 OH2 TIP3 739 61.935 18.379 13.030 1.00 0.00 SOLV O ATOM 4246 H1 TIP3 739 60.993 18.575 13.229 1.00 0.00 SOLV H ATOM 4247 H2 TIP3 739 62.056 18.869 12.189 1.00 0.00 SOLV H ATOM 4248 OH2 TIP3 740 66.411 18.073 11.943 1.00 0.00 SOLV O ATOM 4249 H1 TIP3 740 65.972 18.626 11.271 1.00 0.00 SOLV H ATOM 4250 H2 TIP3 740 66.754 18.724 12.572 1.00 0.00 SOLV H ATOM 4251 OH2 TIP3 741 58.855 17.389 10.665 1.00 0.00 SOLV O ATOM 4252 H1 TIP3 741 58.862 16.874 11.500 1.00 0.00 SOLV H ATOM 4253 H2 TIP3 741 59.652 16.989 10.244 1.00 0.00 SOLV H ATOM 4254 OH2 TIP3 742 60.963 16.087 9.593 1.00 0.00 SOLV O ATOM 4255 H1 TIP3 742 60.862 15.153 9.893 1.00 0.00 SOLV H ATOM 4256 H2 TIP3 742 61.892 16.263 9.859 1.00 0.00 SOLV H ATOM 4257 OH2 TIP3 743 63.602 16.399 10.497 1.00 0.00 SOLV O ATOM 4258 H1 TIP3 743 63.774 15.475 10.231 1.00 0.00 SOLV H ATOM 4259 H2 TIP3 743 63.994 16.385 11.391 1.00 0.00 SOLV H ATOM 4260 OH2 TIP3 744 66.812 2.260 8.987 1.00 0.00 SOLV O ATOM 4261 H1 TIP3 744 66.035 1.788 9.340 1.00 0.00 SOLV H ATOM 4262 H2 TIP3 744 67.544 1.860 9.474 1.00 0.00 SOLV H ATOM 4263 OH2 TIP3 745 59.875 0.379 6.513 1.00 0.00 SOLV O ATOM 4264 H1 TIP3 745 58.943 0.608 6.614 1.00 0.00 SOLV H ATOM 4265 H2 TIP3 745 59.939 -0.488 6.940 1.00 0.00 SOLV H ATOM 4266 OH2 TIP3 746 58.594 0.823 3.467 1.00 0.00 SOLV O ATOM 4267 H1 TIP3 746 58.728 1.353 2.654 1.00 0.00 SOLV H ATOM 4268 H2 TIP3 746 57.831 1.292 3.884 1.00 0.00 SOLV H ATOM 4269 OH2 TIP3 747 63.708 1.584 7.022 1.00 0.00 SOLV O ATOM 4270 H1 TIP3 747 64.469 2.134 6.739 1.00 0.00 SOLV H ATOM 4271 H2 TIP3 747 63.959 1.419 7.956 1.00 0.00 SOLV H ATOM 4272 OH2 TIP3 748 58.232 16.869 3.993 1.00 0.00 SOLV O ATOM 4273 H1 TIP3 748 57.695 16.666 3.217 1.00 0.00 SOLV H ATOM 4274 H2 TIP3 748 58.301 17.826 3.841 1.00 0.00 SOLV H ATOM 4275 OH2 TIP3 749 60.370 2.062 1.871 1.00 0.00 SOLV O ATOM 4276 H1 TIP3 749 60.431 2.108 0.909 1.00 0.00 SOLV H ATOM 4277 H2 TIP3 749 61.167 2.576 2.128 1.00 0.00 SOLV H ATOM 4278 OH2 TIP3 750 64.999 2.868 3.966 1.00 0.00 SOLV O ATOM 4279 H1 TIP3 750 65.476 2.253 4.557 1.00 0.00 SOLV H ATOM 4280 H2 TIP3 750 65.159 3.702 4.464 1.00 0.00 SOLV H ATOM 4281 OH2 TIP3 751 67.006 18.575 2.092 1.00 0.00 SOLV O ATOM 4282 H1 TIP3 751 67.969 18.577 2.068 1.00 0.00 SOLV H ATOM 4283 H2 TIP3 751 66.789 17.685 1.733 1.00 0.00 SOLV H ATOM 4284 OH2 TIP3 752 59.432 1.843 16.566 1.00 0.00 SOLV O ATOM 4285 H1 TIP3 752 58.792 1.139 16.400 1.00 0.00 SOLV H ATOM 4286 H2 TIP3 752 60.080 1.392 17.142 1.00 0.00 SOLV H ATOM 4287 OH2 TIP3 753 61.423 1.214 18.529 1.00 0.00 SOLV O ATOM 4288 H1 TIP3 753 62.198 1.400 17.987 1.00 0.00 SOLV H ATOM 4289 H2 TIP3 753 61.656 0.342 18.922 1.00 0.00 SOLV H ATOM 4290 OH2 TIP3 754 59.922 17.374 0.620 1.00 0.00 SOLV O ATOM 4291 H1 TIP3 754 59.153 17.878 0.971 1.00 0.00 SOLV H ATOM 4292 H2 TIP3 754 60.430 17.241 1.427 1.00 0.00 SOLV H ATOM 4293 OH2 TIP3 755 12.097 29.010 6.965 1.00 0.00 SOLV O ATOM 4294 H1 TIP3 755 11.925 29.970 6.848 1.00 0.00 SOLV H ATOM 4295 H2 TIP3 755 11.391 28.648 6.400 1.00 0.00 SOLV H ATOM 4296 OH2 TIP3 756 11.009 28.204 10.750 1.00 0.00 SOLV O ATOM 4297 H1 TIP3 756 11.113 27.722 11.593 1.00 0.00 SOLV H ATOM 4298 H2 TIP3 756 10.535 27.547 10.211 1.00 0.00 SOLV H ATOM 4299 OH2 TIP3 757 3.140 27.917 12.274 1.00 0.00 SOLV O ATOM 4300 H1 TIP3 757 3.138 27.000 12.585 1.00 0.00 SOLV H ATOM 4301 H2 TIP3 757 4.043 28.015 11.928 1.00 0.00 SOLV H ATOM 4302 OH2 TIP3 758 14.662 31.277 8.983 1.00 0.00 SOLV O ATOM 4303 H1 TIP3 758 14.142 30.552 9.358 1.00 0.00 SOLV H ATOM 4304 H2 TIP3 758 14.866 31.818 9.764 1.00 0.00 SOLV H ATOM 4305 OH2 TIP3 759 4.346 32.421 10.567 1.00 0.00 SOLV O ATOM 4306 H1 TIP3 759 4.173 31.479 10.333 1.00 0.00 SOLV H ATOM 4307 H2 TIP3 759 5.313 32.370 10.674 1.00 0.00 SOLV H ATOM 4308 OH2 TIP3 760 1.161 25.897 5.854 1.00 0.00 SOLV O ATOM 4309 H1 TIP3 760 1.141 26.854 5.979 1.00 0.00 SOLV H ATOM 4310 H2 TIP3 760 0.584 25.616 6.599 1.00 0.00 SOLV H ATOM 4311 OH2 TIP3 761 2.356 28.406 8.916 1.00 0.00 SOLV O ATOM 4312 H1 TIP3 761 2.426 27.443 9.094 1.00 0.00 SOLV H ATOM 4313 H2 TIP3 761 2.039 28.428 8.005 1.00 0.00 SOLV H ATOM 4314 OH2 TIP3 762 11.930 36.321 9.436 1.00 0.00 SOLV O ATOM 4315 H1 TIP3 762 12.314 35.685 8.798 1.00 0.00 SOLV H ATOM 4316 H2 TIP3 762 11.417 35.734 10.005 1.00 0.00 SOLV H ATOM 4317 OH2 TIP3 763 9.207 30.744 11.110 1.00 0.00 SOLV O ATOM 4318 H1 TIP3 763 9.580 29.974 10.649 1.00 0.00 SOLV H ATOM 4319 H2 TIP3 763 9.983 30.978 11.662 1.00 0.00 SOLV H ATOM 4320 OH2 TIP3 764 18.027 22.146 11.907 1.00 0.00 SOLV O ATOM 4321 H1 TIP3 764 18.327 22.829 12.538 1.00 0.00 SOLV H ATOM 4322 H2 TIP3 764 18.535 22.381 11.110 1.00 0.00 SOLV H ATOM 4323 OH2 TIP3 765 12.460 24.991 11.150 1.00 0.00 SOLV O ATOM 4324 H1 TIP3 765 12.682 24.044 11.239 1.00 0.00 SOLV H ATOM 4325 H2 TIP3 765 12.316 25.053 10.184 1.00 0.00 SOLV H ATOM 4326 OH2 TIP3 766 5.855 23.049 8.460 1.00 0.00 SOLV O ATOM 4327 H1 TIP3 766 5.893 23.929 8.028 1.00 0.00 SOLV H ATOM 4328 H2 TIP3 766 5.374 22.539 7.772 1.00 0.00 SOLV H ATOM 4329 OH2 TIP3 767 13.571 23.375 6.750 1.00 0.00 SOLV O ATOM 4330 H1 TIP3 767 14.029 22.990 7.534 1.00 0.00 SOLV H ATOM 4331 H2 TIP3 767 14.340 23.720 6.259 1.00 0.00 SOLV H ATOM 4332 OH2 TIP3 768 2.647 25.666 9.146 1.00 0.00 SOLV O ATOM 4333 H1 TIP3 768 3.173 25.063 9.704 1.00 0.00 SOLV H ATOM 4334 H2 TIP3 768 2.586 25.152 8.324 1.00 0.00 SOLV H ATOM 4335 OH2 TIP3 769 7.183 27.026 8.797 1.00 0.00 SOLV O ATOM 4336 H1 TIP3 769 8.017 26.591 9.070 1.00 0.00 SOLV H ATOM 4337 H2 TIP3 769 6.800 26.356 8.187 1.00 0.00 SOLV H ATOM 4338 OH2 TIP3 770 18.568 23.753 14.162 1.00 0.00 SOLV O ATOM 4339 H1 TIP3 770 17.820 24.335 13.909 1.00 0.00 SOLV H ATOM 4340 H2 TIP3 770 18.582 23.878 15.125 1.00 0.00 SOLV H ATOM 4341 OH2 TIP3 771 4.540 22.020 12.646 1.00 0.00 SOLV O ATOM 4342 H1 TIP3 771 4.211 22.581 11.915 1.00 0.00 SOLV H ATOM 4343 H2 TIP3 771 3.847 22.182 13.318 1.00 0.00 SOLV H ATOM 4344 OH2 TIP3 772 11.554 31.518 6.008 1.00 0.00 SOLV O ATOM 4345 H1 TIP3 772 11.448 31.721 5.068 1.00 0.00 SOLV H ATOM 4346 H2 TIP3 772 11.152 32.317 6.416 1.00 0.00 SOLV H ATOM 4347 OH2 TIP3 773 7.178 29.827 12.680 1.00 0.00 SOLV O ATOM 4348 H1 TIP3 773 6.595 30.556 12.980 1.00 0.00 SOLV H ATOM 4349 H2 TIP3 773 7.831 30.303 12.125 1.00 0.00 SOLV H ATOM 4350 OH2 TIP3 774 14.919 22.769 9.014 1.00 0.00 SOLV O ATOM 4351 H1 TIP3 774 14.535 22.139 9.636 1.00 0.00 SOLV H ATOM 4352 H2 TIP3 774 15.420 23.362 9.612 1.00 0.00 SOLV H ATOM 4353 OH2 TIP3 775 4.121 23.701 10.497 1.00 0.00 SOLV O ATOM 4354 H1 TIP3 775 4.729 24.236 11.056 1.00 0.00 SOLV H ATOM 4355 H2 TIP3 775 4.750 23.386 9.809 1.00 0.00 SOLV H ATOM 4356 OH2 TIP3 776 5.560 31.880 13.720 1.00 0.00 SOLV O ATOM 4357 H1 TIP3 776 5.525 32.837 13.518 1.00 0.00 SOLV H ATOM 4358 H2 TIP3 776 4.649 31.748 14.038 1.00 0.00 SOLV H ATOM 4359 OH2 TIP3 777 1.585 31.246 4.287 1.00 0.00 SOLV O ATOM 4360 H1 TIP3 777 0.884 31.632 3.733 1.00 0.00 SOLV H ATOM 4361 H2 TIP3 777 1.412 31.662 5.142 1.00 0.00 SOLV H ATOM 4362 OH2 TIP3 778 15.137 33.234 11.200 1.00 0.00 SOLV O ATOM 4363 H1 TIP3 778 14.162 33.222 11.348 1.00 0.00 SOLV H ATOM 4364 H2 TIP3 778 15.270 34.169 10.947 1.00 0.00 SOLV H ATOM 4365 OH2 TIP3 779 15.453 21.299 12.771 1.00 0.00 SOLV O ATOM 4366 H1 TIP3 779 14.753 21.726 12.250 1.00 0.00 SOLV H ATOM 4367 H2 TIP3 779 16.267 21.601 12.316 1.00 0.00 SOLV H ATOM 4368 OH2 TIP3 780 8.158 19.144 10.055 1.00 0.00 SOLV O ATOM 4369 H1 TIP3 780 7.813 18.228 10.002 1.00 0.00 SOLV H ATOM 4370 H2 TIP3 780 7.363 19.607 10.401 1.00 0.00 SOLV H ATOM 4371 OH2 TIP3 781 13.178 34.855 7.404 1.00 0.00 SOLV O ATOM 4372 H1 TIP3 781 13.579 33.973 7.205 1.00 0.00 SOLV H ATOM 4373 H2 TIP3 781 13.998 35.402 7.390 1.00 0.00 SOLV H ATOM 4374 OH2 TIP3 782 14.487 32.624 6.580 1.00 0.00 SOLV O ATOM 4375 H1 TIP3 782 14.249 31.958 5.921 1.00 0.00 SOLV H ATOM 4376 H2 TIP3 782 14.622 32.071 7.381 1.00 0.00 SOLV H ATOM 4377 OH2 TIP3 783 16.231 31.168 14.763 1.00 0.00 SOLV O ATOM 4378 H1 TIP3 783 16.117 30.577 13.985 1.00 0.00 SOLV H ATOM 4379 H2 TIP3 783 16.297 32.045 14.329 1.00 0.00 SOLV H ATOM 4380 OH2 TIP3 784 10.650 28.135 4.763 1.00 0.00 SOLV O ATOM 4381 H1 TIP3 784 10.014 28.837 4.515 1.00 0.00 SOLV H ATOM 4382 H2 TIP3 784 11.253 28.130 3.998 1.00 0.00 SOLV H ATOM 4383 OH2 TIP3 785 10.822 26.619 1.065 1.00 0.00 SOLV O ATOM 4384 H1 TIP3 785 11.428 26.877 1.781 1.00 0.00 SOLV H ATOM 4385 H2 TIP3 785 11.343 25.943 0.589 1.00 0.00 SOLV H ATOM 4386 OH2 TIP3 786 17.964 27.721 12.996 1.00 0.00 SOLV O ATOM 4387 H1 TIP3 786 17.213 28.345 12.895 1.00 0.00 SOLV H ATOM 4388 H2 TIP3 786 18.538 28.022 12.258 1.00 0.00 SOLV H ATOM 4389 OH2 TIP3 787 14.200 28.364 5.366 1.00 0.00 SOLV O ATOM 4390 H1 TIP3 787 13.505 28.566 6.037 1.00 0.00 SOLV H ATOM 4391 H2 TIP3 787 14.845 27.881 5.924 1.00 0.00 SOLV H ATOM 4392 OH2 TIP3 788 13.913 26.460 14.740 1.00 0.00 SOLV O ATOM 4393 H1 TIP3 788 13.843 27.202 15.366 1.00 0.00 SOLV H ATOM 4394 H2 TIP3 788 13.215 26.704 14.094 1.00 0.00 SOLV H ATOM 4395 OH2 TIP3 789 5.770 29.027 7.485 1.00 0.00 SOLV O ATOM 4396 H1 TIP3 789 5.467 28.633 6.638 1.00 0.00 SOLV H ATOM 4397 H2 TIP3 789 6.265 28.287 7.893 1.00 0.00 SOLV H ATOM 4398 OH2 TIP3 790 7.161 32.517 10.170 1.00 0.00 SOLV O ATOM 4399 H1 TIP3 790 7.117 32.375 9.209 1.00 0.00 SOLV H ATOM 4400 H2 TIP3 790 7.876 31.903 10.437 1.00 0.00 SOLV H ATOM 4401 OH2 TIP3 791 6.097 27.607 11.347 1.00 0.00 SOLV O ATOM 4402 H1 TIP3 791 6.405 27.584 10.419 1.00 0.00 SOLV H ATOM 4403 H2 TIP3 791 6.447 28.465 11.658 1.00 0.00 SOLV H ATOM 4404 OH2 TIP3 792 12.522 33.340 11.815 1.00 0.00 SOLV O ATOM 4405 H1 TIP3 792 12.322 34.002 12.499 1.00 0.00 SOLV H ATOM 4406 H2 TIP3 792 12.068 32.537 12.144 1.00 0.00 SOLV H ATOM 4407 OH2 TIP3 793 7.191 32.231 15.869 1.00 0.00 SOLV O ATOM 4408 H1 TIP3 793 6.531 32.838 16.265 1.00 0.00 SOLV H ATOM 4409 H2 TIP3 793 6.695 31.945 15.070 1.00 0.00 SOLV H ATOM 4410 OH2 TIP3 794 12.849 27.604 3.069 1.00 0.00 SOLV O ATOM 4411 H1 TIP3 794 13.348 27.979 3.830 1.00 0.00 SOLV H ATOM 4412 H2 TIP3 794 13.389 27.955 2.319 1.00 0.00 SOLV H ATOM 4413 OH2 TIP3 795 3.943 28.036 15.396 1.00 0.00 SOLV O ATOM 4414 H1 TIP3 795 4.009 28.895 15.852 1.00 0.00 SOLV H ATOM 4415 H2 TIP3 795 3.080 28.126 14.947 1.00 0.00 SOLV H ATOM 4416 OH2 TIP3 796 10.695 34.018 6.701 1.00 0.00 SOLV O ATOM 4417 H1 TIP3 796 11.567 34.371 6.974 1.00 0.00 SOLV H ATOM 4418 H2 TIP3 796 10.348 34.726 6.145 1.00 0.00 SOLV H ATOM 4419 OH2 TIP3 797 5.152 34.054 16.554 1.00 0.00 SOLV O ATOM 4420 H1 TIP3 797 5.140 34.325 15.614 1.00 0.00 SOLV H ATOM 4421 H2 TIP3 797 4.200 33.934 16.735 1.00 0.00 SOLV H ATOM 4422 OH2 TIP3 798 16.726 19.185 3.013 1.00 0.00 SOLV O ATOM 4423 H1 TIP3 798 15.822 19.456 3.271 1.00 0.00 SOLV H ATOM 4424 H2 TIP3 798 17.106 20.036 2.707 1.00 0.00 SOLV H ATOM 4425 OH2 TIP3 799 4.882 28.122 4.958 1.00 0.00 SOLV O ATOM 4426 H1 TIP3 799 4.369 28.725 4.375 1.00 0.00 SOLV H ATOM 4427 H2 TIP3 799 4.380 27.303 4.885 1.00 0.00 SOLV H ATOM 4428 OH2 TIP3 800 17.896 33.856 1.563 1.00 0.00 SOLV O ATOM 4429 H1 TIP3 800 18.275 34.748 1.635 1.00 0.00 SOLV H ATOM 4430 H2 TIP3 800 18.693 33.292 1.581 1.00 0.00 SOLV H ATOM 4431 OH2 TIP3 801 1.411 30.439 14.122 1.00 0.00 SOLV O ATOM 4432 H1 TIP3 801 1.110 30.374 13.199 1.00 0.00 SOLV H ATOM 4433 H2 TIP3 801 1.284 29.515 14.417 1.00 0.00 SOLV H ATOM 4434 OH2 TIP3 802 0.987 33.364 10.023 1.00 0.00 SOLV O ATOM 4435 H1 TIP3 802 1.560 32.625 10.243 1.00 0.00 SOLV H ATOM 4436 H2 TIP3 802 0.302 33.316 10.709 1.00 0.00 SOLV H ATOM 4437 OH2 TIP3 803 18.801 34.090 16.636 1.00 0.00 SOLV O ATOM 4438 H1 TIP3 803 18.654 33.126 16.537 1.00 0.00 SOLV H ATOM 4439 H2 TIP3 803 17.899 34.367 16.917 1.00 0.00 SOLV H ATOM 4440 OH2 TIP3 804 9.606 33.350 15.268 1.00 0.00 SOLV O ATOM 4441 H1 TIP3 804 9.582 34.206 15.748 1.00 0.00 SOLV H ATOM 4442 H2 TIP3 804 8.717 32.993 15.493 1.00 0.00 SOLV H ATOM 4443 OH2 TIP3 805 10.457 37.069 5.075 1.00 0.00 SOLV O ATOM 4444 H1 TIP3 805 10.132 37.172 4.168 1.00 0.00 SOLV H ATOM 4445 H2 TIP3 805 10.142 37.887 5.503 1.00 0.00 SOLV H ATOM 4446 OH2 TIP3 806 3.890 35.940 7.073 1.00 0.00 SOLV O ATOM 4447 H1 TIP3 806 4.009 35.577 7.978 1.00 0.00 SOLV H ATOM 4448 H2 TIP3 806 3.333 35.231 6.672 1.00 0.00 SOLV H ATOM 4449 OH2 TIP3 807 12.957 36.558 2.184 1.00 0.00 SOLV O ATOM 4450 H1 TIP3 807 13.529 35.915 1.714 1.00 0.00 SOLV H ATOM 4451 H2 TIP3 807 13.141 36.333 3.117 1.00 0.00 SOLV H ATOM 4452 OH2 TIP3 808 13.061 36.339 4.920 1.00 0.00 SOLV O ATOM 4453 H1 TIP3 808 12.097 36.513 5.012 1.00 0.00 SOLV H ATOM 4454 H2 TIP3 808 13.203 35.690 5.629 1.00 0.00 SOLV H ATOM 4455 OH2 TIP3 809 15.778 25.281 16.856 1.00 0.00 SOLV O ATOM 4456 H1 TIP3 809 15.109 25.590 16.225 1.00 0.00 SOLV H ATOM 4457 H2 TIP3 809 15.852 24.337 16.605 1.00 0.00 SOLV H ATOM 4458 OH2 TIP3 810 3.135 32.209 15.164 1.00 0.00 SOLV O ATOM 4459 H1 TIP3 810 3.495 31.573 15.814 1.00 0.00 SOLV H ATOM 4460 H2 TIP3 810 2.420 31.657 14.758 1.00 0.00 SOLV H ATOM 4461 OH2 TIP3 811 5.697 20.166 10.929 1.00 0.00 SOLV O ATOM 4462 H1 TIP3 811 4.910 20.126 10.347 1.00 0.00 SOLV H ATOM 4463 H2 TIP3 811 5.389 20.845 11.565 1.00 0.00 SOLV H ATOM 4464 OH2 TIP3 812 10.454 19.888 14.294 1.00 0.00 SOLV O ATOM 4465 H1 TIP3 812 10.906 19.346 14.974 1.00 0.00 SOLV H ATOM 4466 H2 TIP3 812 9.508 19.750 14.505 1.00 0.00 SOLV H ATOM 4467 OH2 TIP3 813 13.475 23.726 15.103 1.00 0.00 SOLV O ATOM 4468 H1 TIP3 813 12.745 23.666 15.762 1.00 0.00 SOLV H ATOM 4469 H2 TIP3 813 13.473 24.674 14.871 1.00 0.00 SOLV H ATOM 4470 OH2 TIP3 814 14.373 28.514 1.020 1.00 0.00 SOLV O ATOM 4471 H1 TIP3 814 14.113 28.721 0.101 1.00 0.00 SOLV H ATOM 4472 H2 TIP3 814 15.314 28.774 1.005 1.00 0.00 SOLV H ATOM 4473 OH2 TIP3 815 10.131 22.461 1.734 1.00 0.00 SOLV O ATOM 4474 H1 TIP3 815 9.564 22.233 2.499 1.00 0.00 SOLV H ATOM 4475 H2 TIP3 815 9.606 22.127 1.000 1.00 0.00 SOLV H ATOM 4476 OH2 TIP3 816 5.778 25.096 12.206 1.00 0.00 SOLV O ATOM 4477 H1 TIP3 816 5.059 25.243 12.860 1.00 0.00 SOLV H ATOM 4478 H2 TIP3 816 5.928 26.024 11.903 1.00 0.00 SOLV H ATOM 4479 OH2 TIP3 817 5.874 25.375 7.067 1.00 0.00 SOLV O ATOM 4480 H1 TIP3 817 4.904 25.240 6.963 1.00 0.00 SOLV H ATOM 4481 H2 TIP3 817 6.165 25.055 6.185 1.00 0.00 SOLV H ATOM 4482 OH2 TIP3 818 11.306 25.685 5.873 1.00 0.00 SOLV O ATOM 4483 H1 TIP3 818 11.068 26.556 5.485 1.00 0.00 SOLV H ATOM 4484 H2 TIP3 818 11.956 25.346 5.226 1.00 0.00 SOLV H ATOM 4485 OH2 TIP3 819 10.397 25.911 17.088 1.00 0.00 SOLV O ATOM 4486 H1 TIP3 819 9.891 25.141 17.429 1.00 0.00 SOLV H ATOM 4487 H2 TIP3 819 11.253 25.763 17.530 1.00 0.00 SOLV H ATOM 4488 OH2 TIP3 820 12.209 25.170 8.435 1.00 0.00 SOLV O ATOM 4489 H1 TIP3 820 11.772 25.639 7.692 1.00 0.00 SOLV H ATOM 4490 H2 TIP3 820 12.605 24.440 7.913 1.00 0.00 SOLV H ATOM 4491 OH2 TIP3 821 3.576 25.410 13.764 1.00 0.00 SOLV O ATOM 4492 H1 TIP3 821 3.547 25.981 14.547 1.00 0.00 SOLV H ATOM 4493 H2 TIP3 821 3.180 24.577 14.089 1.00 0.00 SOLV H ATOM 4494 OH2 TIP3 822 6.344 22.484 0.161 1.00 0.00 SOLV O ATOM 4495 H1 TIP3 822 6.246 22.426 1.130 1.00 0.00 SOLV H ATOM 4496 H2 TIP3 822 6.277 23.448 0.022 1.00 0.00 SOLV H ATOM 4497 OH2 TIP3 823 0.615 22.659 7.423 1.00 0.00 SOLV O ATOM 4498 H1 TIP3 823 0.798 22.512 8.372 1.00 0.00 SOLV H ATOM 4499 H2 TIP3 823 0.769 21.775 7.063 1.00 0.00 SOLV H ATOM 4500 OH2 TIP3 824 1.552 23.356 3.482 1.00 0.00 SOLV O ATOM 4501 H1 TIP3 824 2.186 23.043 2.819 1.00 0.00 SOLV H ATOM 4502 H2 TIP3 824 1.650 24.320 3.423 1.00 0.00 SOLV H ATOM 4503 OH2 TIP3 825 11.570 26.693 13.028 1.00 0.00 SOLV O ATOM 4504 H1 TIP3 825 11.930 26.071 12.350 1.00 0.00 SOLV H ATOM 4505 H2 TIP3 825 10.949 26.093 13.496 1.00 0.00 SOLV H ATOM 4506 OH2 TIP3 826 8.638 22.789 7.934 1.00 0.00 SOLV O ATOM 4507 H1 TIP3 826 7.711 22.855 8.248 1.00 0.00 SOLV H ATOM 4508 H2 TIP3 826 9.089 22.412 8.710 1.00 0.00 SOLV H ATOM 4509 OH2 TIP3 827 3.400 24.447 6.592 1.00 0.00 SOLV O ATOM 4510 H1 TIP3 827 2.601 24.757 6.116 1.00 0.00 SOLV H ATOM 4511 H2 TIP3 827 3.485 23.520 6.304 1.00 0.00 SOLV H ATOM 4512 OH2 TIP3 828 6.540 24.355 4.648 1.00 0.00 SOLV O ATOM 4513 H1 TIP3 828 7.513 24.414 4.744 1.00 0.00 SOLV H ATOM 4514 H2 TIP3 828 6.339 25.018 3.949 1.00 0.00 SOLV H ATOM 4515 OH2 TIP3 829 12.724 22.236 11.254 1.00 0.00 SOLV O ATOM 4516 H1 TIP3 829 12.182 22.270 12.072 1.00 0.00 SOLV H ATOM 4517 H2 TIP3 829 12.082 21.858 10.628 1.00 0.00 SOLV H ATOM 4518 OH2 TIP3 830 5.618 25.873 2.622 1.00 0.00 SOLV O ATOM 4519 H1 TIP3 830 4.829 25.550 2.162 1.00 0.00 SOLV H ATOM 4520 H2 TIP3 830 6.258 25.988 1.896 1.00 0.00 SOLV H ATOM 4521 OH2 TIP3 831 16.150 37.717 17.698 1.00 0.00 SOLV O ATOM 4522 H1 TIP3 831 16.372 38.156 16.857 1.00 0.00 SOLV H ATOM 4523 H2 TIP3 831 16.909 37.974 18.257 1.00 0.00 SOLV H ATOM 4524 OH2 TIP3 832 3.960 30.398 17.067 1.00 0.00 SOLV O ATOM 4525 H1 TIP3 832 4.567 30.369 17.834 1.00 0.00 SOLV H ATOM 4526 H2 TIP3 832 3.090 30.413 17.518 1.00 0.00 SOLV H ATOM 4527 OH2 TIP3 833 9.437 25.734 9.870 1.00 0.00 SOLV O ATOM 4528 H1 TIP3 833 10.167 25.223 9.493 1.00 0.00 SOLV H ATOM 4529 H2 TIP3 833 9.100 25.131 10.565 1.00 0.00 SOLV H ATOM 4530 OH2 TIP3 834 4.521 21.754 6.399 1.00 0.00 SOLV O ATOM 4531 H1 TIP3 834 3.918 21.046 6.719 1.00 0.00 SOLV H ATOM 4532 H2 TIP3 834 5.080 21.254 5.791 1.00 0.00 SOLV H ATOM 4533 OH2 TIP3 835 8.389 24.306 12.148 1.00 0.00 SOLV O ATOM 4534 H1 TIP3 835 7.471 24.649 12.206 1.00 0.00 SOLV H ATOM 4535 H2 TIP3 835 8.810 24.673 12.949 1.00 0.00 SOLV H ATOM 4536 OH2 TIP3 836 8.825 30.141 3.985 1.00 0.00 SOLV O ATOM 4537 H1 TIP3 836 8.071 29.693 3.541 1.00 0.00 SOLV H ATOM 4538 H2 TIP3 836 8.412 30.361 4.858 1.00 0.00 SOLV H ATOM 4539 OH2 TIP3 837 15.937 29.548 12.542 1.00 0.00 SOLV O ATOM 4540 H1 TIP3 837 16.444 30.147 11.959 1.00 0.00 SOLV H ATOM 4541 H2 TIP3 837 15.160 29.324 11.980 1.00 0.00 SOLV H ATOM 4542 OH2 TIP3 838 12.833 22.884 2.054 1.00 0.00 SOLV O ATOM 4543 H1 TIP3 838 11.870 22.764 1.893 1.00 0.00 SOLV H ATOM 4544 H2 TIP3 838 12.853 23.699 2.588 1.00 0.00 SOLV H ATOM 4545 OH2 TIP3 839 10.425 30.629 15.121 1.00 0.00 SOLV O ATOM 4546 H1 TIP3 839 10.289 30.170 15.957 1.00 0.00 SOLV H ATOM 4547 H2 TIP3 839 10.069 31.518 15.296 1.00 0.00 SOLV H ATOM 4548 OH2 TIP3 840 13.237 24.955 3.944 1.00 0.00 SOLV O ATOM 4549 H1 TIP3 840 14.126 24.837 4.331 1.00 0.00 SOLV H ATOM 4550 H2 TIP3 840 13.262 25.877 3.619 1.00 0.00 SOLV H ATOM 4551 OH2 TIP3 841 4.379 29.842 9.814 1.00 0.00 SOLV O ATOM 4552 H1 TIP3 841 4.867 29.587 9.008 1.00 0.00 SOLV H ATOM 4553 H2 TIP3 841 3.535 29.358 9.651 1.00 0.00 SOLV H ATOM 4554 OH2 TIP3 842 10.930 31.652 3.111 1.00 0.00 SOLV O ATOM 4555 H1 TIP3 842 10.575 32.556 3.291 1.00 0.00 SOLV H ATOM 4556 H2 TIP3 842 10.172 31.103 3.421 1.00 0.00 SOLV H ATOM 4557 OH2 TIP3 843 1.162 27.834 14.979 1.00 0.00 SOLV O ATOM 4558 H1 TIP3 843 0.828 27.449 15.801 1.00 0.00 SOLV H ATOM 4559 H2 TIP3 843 0.520 27.451 14.329 1.00 0.00 SOLV H ATOM 4560 OH2 TIP3 844 8.211 27.680 17.233 1.00 0.00 SOLV O ATOM 4561 H1 TIP3 844 7.595 27.325 16.566 1.00 0.00 SOLV H ATOM 4562 H2 TIP3 844 9.024 27.178 17.017 1.00 0.00 SOLV H ATOM 4563 OH2 TIP3 845 12.475 33.080 15.142 1.00 0.00 SOLV O ATOM 4564 H1 TIP3 845 11.509 33.123 15.022 1.00 0.00 SOLV H ATOM 4565 H2 TIP3 845 12.551 33.337 16.083 1.00 0.00 SOLV H ATOM 4566 OH2 TIP3 846 18.142 25.491 3.712 1.00 0.00 SOLV O ATOM 4567 H1 TIP3 846 17.650 25.309 2.876 1.00 0.00 SOLV H ATOM 4568 H2 TIP3 846 18.291 26.451 3.561 1.00 0.00 SOLV H ATOM 4569 OH2 TIP3 847 18.490 31.276 16.324 1.00 0.00 SOLV O ATOM 4570 H1 TIP3 847 17.558 31.305 16.014 1.00 0.00 SOLV H ATOM 4571 H2 TIP3 847 18.932 31.032 15.479 1.00 0.00 SOLV H ATOM 4572 OH2 TIP3 848 16.694 33.952 4.084 1.00 0.00 SOLV O ATOM 4573 H1 TIP3 848 16.042 33.271 4.300 1.00 0.00 SOLV H ATOM 4574 H2 TIP3 848 16.924 33.748 3.156 1.00 0.00 SOLV H ATOM 4575 OH2 TIP3 849 13.806 28.838 10.848 1.00 0.00 SOLV O ATOM 4576 H1 TIP3 849 12.841 28.739 10.725 1.00 0.00 SOLV H ATOM 4577 H2 TIP3 849 14.125 28.064 10.340 1.00 0.00 SOLV H ATOM 4578 OH2 TIP3 850 6.455 33.170 7.169 1.00 0.00 SOLV O ATOM 4579 H1 TIP3 850 6.612 34.064 6.812 1.00 0.00 SOLV H ATOM 4580 H2 TIP3 850 5.500 33.079 7.059 1.00 0.00 SOLV H ATOM 4581 OH2 TIP3 851 2.051 27.819 1.851 1.00 0.00 SOLV O ATOM 4582 H1 TIP3 851 2.697 28.400 2.306 1.00 0.00 SOLV H ATOM 4583 H2 TIP3 851 1.367 28.462 1.621 1.00 0.00 SOLV H ATOM 4584 OH2 TIP3 852 7.516 30.779 6.245 1.00 0.00 SOLV O ATOM 4585 H1 TIP3 852 7.268 31.645 6.625 1.00 0.00 SOLV H ATOM 4586 H2 TIP3 852 6.931 30.178 6.751 1.00 0.00 SOLV H ATOM 4587 OH2 TIP3 853 8.284 34.988 13.003 1.00 0.00 SOLV O ATOM 4588 H1 TIP3 853 8.917 35.710 12.798 1.00 0.00 SOLV H ATOM 4589 H2 TIP3 853 8.853 34.369 13.487 1.00 0.00 SOLV H ATOM 4590 OH2 TIP3 854 6.428 35.924 6.090 1.00 0.00 SOLV O ATOM 4591 H1 TIP3 854 5.496 36.035 6.382 1.00 0.00 SOLV H ATOM 4592 H2 TIP3 854 6.825 36.754 6.433 1.00 0.00 SOLV H ATOM 4593 OH2 TIP3 855 11.489 30.879 12.645 1.00 0.00 SOLV O ATOM 4594 H1 TIP3 855 11.137 30.715 13.551 1.00 0.00 SOLV H ATOM 4595 H2 TIP3 855 12.102 30.138 12.541 1.00 0.00 SOLV H ATOM 4596 OH2 TIP3 856 13.768 31.999 2.075 1.00 0.00 SOLV O ATOM 4597 H1 TIP3 856 14.352 31.497 2.679 1.00 0.00 SOLV H ATOM 4598 H2 TIP3 856 12.916 31.909 2.527 1.00 0.00 SOLV H ATOM 4599 OH2 TIP3 857 14.484 35.333 14.984 1.00 0.00 SOLV O ATOM 4600 H1 TIP3 857 13.648 34.928 14.674 1.00 0.00 SOLV H ATOM 4601 H2 TIP3 857 14.552 36.109 14.386 1.00 0.00 SOLV H ATOM 4602 OH2 TIP3 858 18.720 36.594 1.784 1.00 0.00 SOLV O ATOM 4603 H1 TIP3 858 19.392 37.073 2.298 1.00 0.00 SOLV H ATOM 4604 H2 TIP3 858 17.898 36.996 2.148 1.00 0.00 SOLV H ATOM 4605 OH2 TIP3 859 2.544 22.723 14.467 1.00 0.00 SOLV O ATOM 4606 H1 TIP3 859 1.633 22.700 14.134 1.00 0.00 SOLV H ATOM 4607 H2 TIP3 859 2.542 21.977 15.091 1.00 0.00 SOLV H ATOM 4608 OH2 TIP3 860 15.125 30.681 4.135 1.00 0.00 SOLV O ATOM 4609 H1 TIP3 860 14.733 29.893 4.563 1.00 0.00 SOLV H ATOM 4610 H2 TIP3 860 16.077 30.459 4.216 1.00 0.00 SOLV H ATOM 4611 OH2 TIP3 861 2.087 34.400 12.928 1.00 0.00 SOLV O ATOM 4612 H1 TIP3 861 2.679 33.630 12.995 1.00 0.00 SOLV H ATOM 4613 H2 TIP3 861 2.462 34.999 13.590 1.00 0.00 SOLV H ATOM 4614 OH2 TIP3 862 8.137 33.048 0.378 1.00 0.00 SOLV O ATOM 4615 H1 TIP3 862 8.146 32.214 -0.116 1.00 0.00 SOLV H ATOM 4616 H2 TIP3 862 7.590 32.826 1.162 1.00 0.00 SOLV H ATOM 4617 OH2 TIP3 863 6.813 32.683 2.811 1.00 0.00 SOLV O ATOM 4618 H1 TIP3 863 7.280 32.157 3.475 1.00 0.00 SOLV H ATOM 4619 H2 TIP3 863 6.969 33.597 3.140 1.00 0.00 SOLV H ATOM 4620 OH2 TIP3 864 3.503 29.719 3.206 1.00 0.00 SOLV O ATOM 4621 H1 TIP3 864 2.808 30.219 3.702 1.00 0.00 SOLV H ATOM 4622 H2 TIP3 864 3.898 30.469 2.721 1.00 0.00 SOLV H ATOM 4623 OH2 TIP3 865 11.391 22.415 13.683 1.00 0.00 SOLV O ATOM 4624 H1 TIP3 865 12.177 22.508 14.248 1.00 0.00 SOLV H ATOM 4625 H2 TIP3 865 11.043 21.532 13.940 1.00 0.00 SOLV H ATOM 4626 OH2 TIP3 866 12.148 21.796 4.891 1.00 0.00 SOLV O ATOM 4627 H1 TIP3 866 12.375 22.200 4.038 1.00 0.00 SOLV H ATOM 4628 H2 TIP3 866 12.586 22.404 5.525 1.00 0.00 SOLV H ATOM 4629 OH2 TIP3 867 9.864 34.093 3.422 1.00 0.00 SOLV O ATOM 4630 H1 TIP3 867 9.017 34.520 3.659 1.00 0.00 SOLV H ATOM 4631 H2 TIP3 867 9.974 34.390 2.498 1.00 0.00 SOLV H ATOM 4632 OH2 TIP3 868 9.138 24.015 5.526 1.00 0.00 SOLV O ATOM 4633 H1 TIP3 868 9.893 24.620 5.692 1.00 0.00 SOLV H ATOM 4634 H2 TIP3 868 8.959 23.689 6.436 1.00 0.00 SOLV H ATOM 4635 OH2 TIP3 869 10.024 24.904 14.386 1.00 0.00 SOLV O ATOM 4636 H1 TIP3 869 10.140 25.109 15.333 1.00 0.00 SOLV H ATOM 4637 H2 TIP3 869 10.375 23.994 14.313 1.00 0.00 SOLV H ATOM 4638 OH2 TIP3 870 9.837 20.760 6.052 1.00 0.00 SOLV O ATOM 4639 H1 TIP3 870 9.701 21.438 6.740 1.00 0.00 SOLV H ATOM 4640 H2 TIP3 870 10.683 21.076 5.652 1.00 0.00 SOLV H ATOM 4641 OH2 TIP3 871 7.378 35.204 3.663 1.00 0.00 SOLV O ATOM 4642 H1 TIP3 871 7.318 36.059 3.184 1.00 0.00 SOLV H ATOM 4643 H2 TIP3 871 7.012 35.457 4.544 1.00 0.00 SOLV H ATOM 4644 OH2 TIP3 872 5.941 22.261 2.942 1.00 0.00 SOLV O ATOM 4645 H1 TIP3 872 5.885 23.008 3.579 1.00 0.00 SOLV H ATOM 4646 H2 TIP3 872 6.815 21.912 3.223 1.00 0.00 SOLV H ATOM 4647 OH2 TIP3 873 15.948 22.783 15.591 1.00 0.00 SOLV O ATOM 4648 H1 TIP3 873 14.998 22.986 15.432 1.00 0.00 SOLV H ATOM 4649 H2 TIP3 873 16.168 22.383 14.736 1.00 0.00 SOLV H ATOM 4650 OH2 TIP3 874 14.587 26.502 9.424 1.00 0.00 SOLV O ATOM 4651 H1 TIP3 874 13.738 26.073 9.208 1.00 0.00 SOLV H ATOM 4652 H2 TIP3 874 15.038 25.806 9.948 1.00 0.00 SOLV H ATOM 4653 OH2 TIP3 875 4.183 32.136 1.938 1.00 0.00 SOLV O ATOM 4654 H1 TIP3 875 4.972 32.464 2.411 1.00 0.00 SOLV H ATOM 4655 H2 TIP3 875 4.642 31.596 1.258 1.00 0.00 SOLV H ATOM 4656 OH2 TIP3 876 2.785 25.283 1.177 1.00 0.00 SOLV O ATOM 4657 H1 TIP3 876 2.477 26.186 1.430 1.00 0.00 SOLV H ATOM 4658 H2 TIP3 876 2.052 24.982 0.624 1.00 0.00 SOLV H ATOM 4659 OH2 TIP3 877 15.797 35.970 11.116 1.00 0.00 SOLV O ATOM 4660 H1 TIP3 877 15.642 36.649 10.420 1.00 0.00 SOLV H ATOM 4661 H2 TIP3 877 16.777 35.987 11.169 1.00 0.00 SOLV H ATOM 4662 OH2 TIP3 878 3.156 20.034 9.809 1.00 0.00 SOLV O ATOM 4663 H1 TIP3 878 3.059 19.863 8.848 1.00 0.00 SOLV H ATOM 4664 H2 TIP3 878 2.853 19.178 10.188 1.00 0.00 SOLV H ATOM 4665 OH2 TIP3 879 2.200 34.089 5.957 1.00 0.00 SOLV O ATOM 4666 H1 TIP3 879 1.397 34.176 6.488 1.00 0.00 SOLV H ATOM 4667 H2 TIP3 879 1.976 34.604 5.146 1.00 0.00 SOLV H ATOM 4668 OH2 TIP3 880 1.843 36.724 17.455 1.00 0.00 SOLV O ATOM 4669 H1 TIP3 880 2.318 36.761 18.310 1.00 0.00 SOLV H ATOM 4670 H2 TIP3 880 1.920 35.765 17.286 1.00 0.00 SOLV H ATOM 4671 OH2 TIP3 881 5.767 35.157 18.991 1.00 0.00 SOLV O ATOM 4672 H1 TIP3 881 6.652 34.814 19.167 1.00 0.00 SOLV H ATOM 4673 H2 TIP3 881 5.586 34.761 18.113 1.00 0.00 SOLV H ATOM 4674 OH2 TIP3 882 10.166 34.793 0.762 1.00 0.00 SOLV O ATOM 4675 H1 TIP3 882 9.481 34.134 0.501 1.00 0.00 SOLV H ATOM 4676 H2 TIP3 882 10.930 34.509 0.218 1.00 0.00 SOLV H ATOM 4677 OH2 TIP3 883 12.444 33.715 17.832 1.00 0.00 SOLV O ATOM 4678 H1 TIP3 883 12.186 32.890 18.305 1.00 0.00 SOLV H ATOM 4679 H2 TIP3 883 13.188 34.032 18.378 1.00 0.00 SOLV H ATOM 4680 OH2 TIP3 884 14.519 34.642 0.925 1.00 0.00 SOLV O ATOM 4681 H1 TIP3 884 14.860 33.780 1.219 1.00 0.00 SOLV H ATOM 4682 H2 TIP3 884 15.155 34.909 0.236 1.00 0.00 SOLV H ATOM 4683 OH2 TIP3 885 1.425 30.379 18.136 1.00 0.00 SOLV O ATOM 4684 H1 TIP3 885 1.460 29.411 17.970 1.00 0.00 SOLV H ATOM 4685 H2 TIP3 885 0.489 30.549 17.942 1.00 0.00 SOLV H ATOM 4686 OH2 TIP3 886 5.842 30.445 0.695 1.00 0.00 SOLV O ATOM 4687 H1 TIP3 886 6.187 29.881 1.423 1.00 0.00 SOLV H ATOM 4688 H2 TIP3 886 6.556 30.419 0.057 1.00 0.00 SOLV H ATOM 4689 OH2 TIP3 887 7.877 30.461 17.836 1.00 0.00 SOLV O ATOM 4690 H1 TIP3 887 7.684 30.933 16.997 1.00 0.00 SOLV H ATOM 4691 H2 TIP3 887 8.039 29.542 17.535 1.00 0.00 SOLV H ATOM 4692 OH2 TIP3 888 11.077 31.214 0.369 1.00 0.00 SOLV O ATOM 4693 H1 TIP3 888 10.947 31.397 1.325 1.00 0.00 SOLV H ATOM 4694 H2 TIP3 888 11.662 30.444 0.408 1.00 0.00 SOLV H ATOM 4695 OH2 TIP3 889 13.631 30.385 15.437 1.00 0.00 SOLV O ATOM 4696 H1 TIP3 889 14.517 30.745 15.250 1.00 0.00 SOLV H ATOM 4697 H2 TIP3 889 13.064 31.143 15.204 1.00 0.00 SOLV H ATOM 4698 OH2 TIP3 890 1.681 27.689 17.918 1.00 0.00 SOLV O ATOM 4699 H1 TIP3 890 2.290 27.111 17.438 1.00 0.00 SOLV H ATOM 4700 H2 TIP3 890 2.040 27.653 18.828 1.00 0.00 SOLV H ATOM 4701 OH2 TIP3 891 6.793 28.794 2.681 1.00 0.00 SOLV O ATOM 4702 H1 TIP3 891 6.186 28.399 3.333 1.00 0.00 SOLV H ATOM 4703 H2 TIP3 891 7.159 27.995 2.248 1.00 0.00 SOLV H ATOM 4704 OH2 TIP3 892 6.202 26.477 15.330 1.00 0.00 SOLV O ATOM 4705 H1 TIP3 892 5.443 27.090 15.224 1.00 0.00 SOLV H ATOM 4706 H2 TIP3 892 6.878 26.895 14.745 1.00 0.00 SOLV H ATOM 4707 OH2 TIP3 893 7.985 26.719 1.191 1.00 0.00 SOLV O ATOM 4708 H1 TIP3 893 7.849 26.986 0.267 1.00 0.00 SOLV H ATOM 4709 H2 TIP3 893 8.960 26.618 1.237 1.00 0.00 SOLV H ATOM 4710 OH2 TIP3 894 11.297 29.062 18.579 1.00 0.00 SOLV O ATOM 4711 H1 TIP3 894 11.962 28.590 18.059 1.00 0.00 SOLV H ATOM 4712 H2 TIP3 894 10.875 28.333 19.071 1.00 0.00 SOLV H ATOM 4713 OH2 TIP3 895 17.085 29.022 0.494 1.00 0.00 SOLV O ATOM 4714 H1 TIP3 895 17.292 28.617 -0.358 1.00 0.00 SOLV H ATOM 4715 H2 TIP3 895 17.388 29.938 0.331 1.00 0.00 SOLV H ATOM 4716 OH2 TIP3 896 6.713 23.970 16.125 1.00 0.00 SOLV O ATOM 4717 H1 TIP3 896 6.764 23.368 15.353 1.00 0.00 SOLV H ATOM 4718 H2 TIP3 896 6.530 24.837 15.691 1.00 0.00 SOLV H ATOM 4719 OH2 TIP3 897 6.978 22.309 13.867 1.00 0.00 SOLV O ATOM 4720 H1 TIP3 897 7.511 22.772 13.197 1.00 0.00 SOLV H ATOM 4721 H2 TIP3 897 6.104 22.256 13.423 1.00 0.00 SOLV H ATOM 4722 OH2 TIP3 898 8.178 27.677 14.042 1.00 0.00 SOLV O ATOM 4723 H1 TIP3 898 9.101 27.651 13.773 1.00 0.00 SOLV H ATOM 4724 H2 TIP3 898 7.829 28.443 13.534 1.00 0.00 SOLV H ATOM 4725 OH2 TIP3 899 12.683 25.389 18.758 1.00 0.00 SOLV O ATOM 4726 H1 TIP3 899 12.921 24.450 18.698 1.00 0.00 SOLV H ATOM 4727 H2 TIP3 899 13.542 25.817 18.632 1.00 0.00 SOLV H ATOM 4728 OH2 TIP3 900 14.099 28.327 17.112 1.00 0.00 SOLV O ATOM 4729 H1 TIP3 900 13.809 29.091 16.557 1.00 0.00 SOLV H ATOM 4730 H2 TIP3 900 15.071 28.398 16.997 1.00 0.00 SOLV H ATOM 4731 OH2 TIP3 901 5.038 24.626 18.369 1.00 0.00 SOLV O ATOM 4732 H1 TIP3 901 4.278 24.048 18.146 1.00 0.00 SOLV H ATOM 4733 H2 TIP3 901 5.520 24.639 17.519 1.00 0.00 SOLV H ATOM 4734 OH2 TIP3 902 7.647 19.583 14.316 1.00 0.00 SOLV O ATOM 4735 H1 TIP3 902 7.357 20.502 14.142 1.00 0.00 SOLV H ATOM 4736 H2 TIP3 902 6.945 19.071 13.860 1.00 0.00 SOLV H ATOM 4737 OH2 TIP3 903 8.925 23.697 17.723 1.00 0.00 SOLV O ATOM 4738 H1 TIP3 903 8.416 23.385 18.497 1.00 0.00 SOLV H ATOM 4739 H2 TIP3 903 8.187 23.758 17.076 1.00 0.00 SOLV H ATOM 4740 OH2 TIP3 904 11.569 23.176 16.925 1.00 0.00 SOLV O ATOM 4741 H1 TIP3 904 10.662 23.145 17.294 1.00 0.00 SOLV H ATOM 4742 H2 TIP3 904 12.065 22.591 17.532 1.00 0.00 SOLV H ATOM 4743 OH2 TIP3 905 13.284 21.858 18.683 1.00 0.00 SOLV O ATOM 4744 H1 TIP3 905 13.262 20.884 18.560 1.00 0.00 SOLV H ATOM 4745 H2 TIP3 905 13.036 21.958 19.624 1.00 0.00 SOLV H ATOM 4746 OH2 TIP3 906 2.985 22.789 17.995 1.00 0.00 SOLV O ATOM 4747 H1 TIP3 906 2.879 22.008 17.412 1.00 0.00 SOLV H ATOM 4748 H2 TIP3 906 3.134 22.344 18.853 1.00 0.00 SOLV H ATOM 4749 OH2 TIP3 907 7.781 18.966 16.978 1.00 0.00 SOLV O ATOM 4750 H1 TIP3 907 8.325 18.161 16.865 1.00 0.00 SOLV H ATOM 4751 H2 TIP3 907 7.660 19.219 16.039 1.00 0.00 SOLV H ATOM 4752 OH2 TIP3 908 8.348 20.585 19.097 1.00 0.00 SOLV O ATOM 4753 H1 TIP3 908 8.214 20.054 18.279 1.00 0.00 SOLV H ATOM 4754 H2 TIP3 908 7.700 21.310 18.972 1.00 0.00 SOLV H ATOM 4755 OH2 TIP3 909 7.648 37.542 2.229 1.00 0.00 SOLV O ATOM 4756 H1 TIP3 909 8.622 37.485 2.127 1.00 0.00 SOLV H ATOM 4757 H2 TIP3 909 7.415 38.205 1.576 1.00 0.00 SOLV H ATOM 4758 OH2 TIP3 910 1.514 31.777 1.046 1.00 0.00 SOLV O ATOM 4759 H1 TIP3 910 2.291 32.017 1.570 1.00 0.00 SOLV H ATOM 4760 H2 TIP3 910 1.861 31.059 0.485 1.00 0.00 SOLV H ATOM 4761 OH2 TIP3 911 1.088 35.571 8.466 1.00 0.00 SOLV O ATOM 4762 H1 TIP3 911 1.051 34.686 8.902 1.00 0.00 SOLV H ATOM 4763 H2 TIP3 911 1.663 36.036 9.102 1.00 0.00 SOLV H ATOM 4764 OH2 TIP3 912 18.485 36.238 11.623 1.00 0.00 SOLV O ATOM 4765 H1 TIP3 912 18.436 36.305 12.596 1.00 0.00 SOLV H ATOM 4766 H2 TIP3 912 19.265 36.773 11.423 1.00 0.00 SOLV H ATOM 4767 OH2 TIP3 913 17.923 35.891 14.364 1.00 0.00 SOLV O ATOM 4768 H1 TIP3 913 17.347 35.172 14.021 1.00 0.00 SOLV H ATOM 4769 H2 TIP3 913 18.432 35.387 15.019 1.00 0.00 SOLV H ATOM 4770 OH2 TIP3 914 16.440 31.631 19.182 1.00 0.00 SOLV O ATOM 4771 H1 TIP3 914 15.579 31.741 19.634 1.00 0.00 SOLV H ATOM 4772 H2 TIP3 914 16.937 32.404 19.511 1.00 0.00 SOLV H ATOM 4773 OH2 TIP3 915 17.761 29.896 4.523 1.00 0.00 SOLV O ATOM 4774 H1 TIP3 915 18.547 30.480 4.529 1.00 0.00 SOLV H ATOM 4775 H2 TIP3 915 17.943 29.313 5.294 1.00 0.00 SOLV H ATOM 4776 OH2 TIP3 916 18.243 27.993 6.455 1.00 0.00 SOLV O ATOM 4777 H1 TIP3 916 17.375 27.619 6.724 1.00 0.00 SOLV H ATOM 4778 H2 TIP3 916 18.712 28.071 7.311 1.00 0.00 SOLV H ATOM 4779 OH2 TIP3 917 18.191 30.918 11.573 1.00 0.00 SOLV O ATOM 4780 H1 TIP3 917 18.701 30.187 11.162 1.00 0.00 SOLV H ATOM 4781 H2 TIP3 917 18.389 31.668 10.986 1.00 0.00 SOLV H ATOM 4782 OH2 TIP3 918 16.335 33.730 13.654 1.00 0.00 SOLV O ATOM 4783 H1 TIP3 918 15.554 34.160 14.054 1.00 0.00 SOLV H ATOM 4784 H2 TIP3 918 16.014 33.534 12.745 1.00 0.00 SOLV H ATOM 4785 OH2 TIP3 919 18.456 28.016 2.685 1.00 0.00 SOLV O ATOM 4786 H1 TIP3 919 17.906 28.272 1.914 1.00 0.00 SOLV H ATOM 4787 H2 TIP3 919 18.147 28.677 3.342 1.00 0.00 SOLV H ATOM 4788 OH2 TIP3 920 16.889 25.237 1.374 1.00 0.00 SOLV O ATOM 4789 H1 TIP3 920 16.444 25.826 0.758 1.00 0.00 SOLV H ATOM 4790 H2 TIP3 920 16.508 24.367 1.132 1.00 0.00 SOLV H ATOM 4791 OH2 TIP3 921 15.832 26.776 6.977 1.00 0.00 SOLV O ATOM 4792 H1 TIP3 921 15.779 25.853 6.678 1.00 0.00 SOLV H ATOM 4793 H2 TIP3 921 15.431 26.726 7.874 1.00 0.00 SOLV H ATOM 4794 OH2 TIP3 922 1.086 29.593 11.367 1.00 0.00 SOLV O ATOM 4795 H1 TIP3 922 1.134 29.288 10.442 1.00 0.00 SOLV H ATOM 4796 H2 TIP3 922 1.762 28.987 11.749 1.00 0.00 SOLV H ATOM 4797 OH2 TIP3 923 16.862 28.622 16.822 1.00 0.00 SOLV O ATOM 4798 H1 TIP3 923 17.448 27.842 16.697 1.00 0.00 SOLV H ATOM 4799 H2 TIP3 923 17.262 29.274 16.230 1.00 0.00 SOLV H ATOM 4800 OH2 TIP3 924 18.303 26.314 16.758 1.00 0.00 SOLV O ATOM 4801 H1 TIP3 924 17.414 25.903 16.817 1.00 0.00 SOLV H ATOM 4802 H2 TIP3 924 18.865 25.537 16.968 1.00 0.00 SOLV H ATOM 4803 OH2 TIP3 925 15.785 22.911 0.502 1.00 0.00 SOLV O ATOM 4804 H1 TIP3 925 16.304 22.247 0.999 1.00 0.00 SOLV H ATOM 4805 H2 TIP3 925 14.876 22.705 0.792 1.00 0.00 SOLV H ATOM 4806 OH2 TIP3 926 15.769 24.274 5.261 1.00 0.00 SOLV O ATOM 4807 H1 TIP3 926 15.994 23.312 5.288 1.00 0.00 SOLV H ATOM 4808 H2 TIP3 926 16.578 24.622 4.847 1.00 0.00 SOLV H ATOM 4809 OH2 TIP3 927 16.090 24.566 10.773 1.00 0.00 SOLV O ATOM 4810 H1 TIP3 927 17.049 24.711 10.606 1.00 0.00 SOLV H ATOM 4811 H2 TIP3 927 16.073 24.733 11.734 1.00 0.00 SOLV H ATOM 4812 OH2 TIP3 928 16.441 25.458 13.451 1.00 0.00 SOLV O ATOM 4813 H1 TIP3 928 15.614 25.829 13.806 1.00 0.00 SOLV H ATOM 4814 H2 TIP3 928 16.975 26.269 13.303 1.00 0.00 SOLV H ATOM 4815 OH2 TIP3 929 0.923 24.605 17.648 1.00 0.00 SOLV O ATOM 4816 H1 TIP3 929 1.719 24.031 17.653 1.00 0.00 SOLV H ATOM 4817 H2 TIP3 929 0.251 23.934 17.405 1.00 0.00 SOLV H ATOM 4818 OH2 TIP3 930 18.613 19.653 18.766 1.00 0.00 SOLV O ATOM 4819 H1 TIP3 930 19.252 19.012 18.382 1.00 0.00 SOLV H ATOM 4820 H2 TIP3 930 18.587 20.341 18.066 1.00 0.00 SOLV H ATOM 4821 OH2 TIP3 931 16.314 21.582 5.348 1.00 0.00 SOLV O ATOM 4822 H1 TIP3 931 16.504 21.146 6.205 1.00 0.00 SOLV H ATOM 4823 H2 TIP3 931 15.638 20.966 4.989 1.00 0.00 SOLV H ATOM 4824 OH2 TIP3 932 1.612 22.348 10.031 1.00 0.00 SOLV O ATOM 4825 H1 TIP3 932 2.061 21.479 10.000 1.00 0.00 SOLV H ATOM 4826 H2 TIP3 932 2.367 22.934 10.212 1.00 0.00 SOLV H ATOM 4827 OH2 TIP3 933 0.171 26.736 10.533 1.00 0.00 SOLV O ATOM 4828 H1 TIP3 933 0.088 26.426 9.610 1.00 0.00 SOLV H ATOM 4829 H2 TIP3 933 0.785 26.072 10.870 1.00 0.00 SOLV H ATOM 4830 OH2 TIP3 934 18.030 21.495 16.841 1.00 0.00 SOLV O ATOM 4831 H1 TIP3 934 17.252 22.088 16.776 1.00 0.00 SOLV H ATOM 4832 H2 TIP3 934 17.814 20.883 16.107 1.00 0.00 SOLV H ATOM 4833 OH2 TIP3 935 17.884 21.507 1.953 1.00 0.00 SOLV O ATOM 4834 H1 TIP3 935 18.209 21.570 1.021 1.00 0.00 SOLV H ATOM 4835 H2 TIP3 935 18.577 22.032 2.395 1.00 0.00 SOLV H ATOM 4836 OH2 TIP3 936 1.161 20.778 4.983 1.00 0.00 SOLV O ATOM 4837 H1 TIP3 936 0.201 20.927 5.054 1.00 0.00 SOLV H ATOM 4838 H2 TIP3 936 1.414 21.626 4.572 1.00 0.00 SOLV H ATOM 4839 OH2 TIP3 937 15.287 36.491 7.101 1.00 0.00 SOLV O ATOM 4840 H1 TIP3 937 15.990 36.493 6.421 1.00 0.00 SOLV H ATOM 4841 H2 TIP3 937 15.684 37.008 7.819 1.00 0.00 SOLV H ATOM 4842 OH2 TIP3 938 0.597 20.311 13.366 1.00 0.00 SOLV O ATOM 4843 H1 TIP3 938 -0.312 20.058 13.614 1.00 0.00 SOLV H ATOM 4844 H2 TIP3 938 0.475 20.637 12.466 1.00 0.00 SOLV H ATOM 4845 OH2 TIP3 939 2.363 33.859 17.540 1.00 0.00 SOLV O ATOM 4846 H1 TIP3 939 2.222 33.123 16.919 1.00 0.00 SOLV H ATOM 4847 H2 TIP3 939 2.013 33.493 18.378 1.00 0.00 SOLV H ATOM 4848 OH2 TIP3 940 5.655 34.651 13.789 1.00 0.00 SOLV O ATOM 4849 H1 TIP3 940 5.411 35.557 13.500 1.00 0.00 SOLV H ATOM 4850 H2 TIP3 940 6.608 34.692 13.562 1.00 0.00 SOLV H ATOM 4851 OH2 TIP3 941 9.677 35.779 16.615 1.00 0.00 SOLV O ATOM 4852 H1 TIP3 941 9.842 35.515 17.544 1.00 0.00 SOLV H ATOM 4853 H2 TIP3 941 10.499 36.278 16.418 1.00 0.00 SOLV H ATOM 4854 OH2 TIP3 942 11.963 37.230 16.171 1.00 0.00 SOLV O ATOM 4855 H1 TIP3 942 12.656 36.712 15.737 1.00 0.00 SOLV H ATOM 4856 H2 TIP3 942 12.432 37.547 16.973 1.00 0.00 SOLV H ATOM 4857 OH2 TIP3 943 17.105 19.596 15.041 1.00 0.00 SOLV O ATOM 4858 H1 TIP3 943 16.339 19.656 14.441 1.00 0.00 SOLV H ATOM 4859 H2 TIP3 943 17.403 18.673 14.853 1.00 0.00 SOLV H ATOM 4860 OH2 TIP3 944 2.875 37.594 13.920 1.00 0.00 SOLV O ATOM 4861 H1 TIP3 944 2.078 38.023 13.535 1.00 0.00 SOLV H ATOM 4862 H2 TIP3 944 2.796 37.878 14.839 1.00 0.00 SOLV H ATOM 4863 OH2 TIP3 945 5.434 37.252 13.021 1.00 0.00 SOLV O ATOM 4864 H1 TIP3 945 4.491 37.419 13.262 1.00 0.00 SOLV H ATOM 4865 H2 TIP3 945 5.494 37.711 12.160 1.00 0.00 SOLV H ATOM 4866 OH2 TIP3 946 9.986 36.999 12.151 1.00 0.00 SOLV O ATOM 4867 H1 TIP3 946 9.497 37.395 11.406 1.00 0.00 SOLV H ATOM 4868 H2 TIP3 946 10.090 37.764 12.752 1.00 0.00 SOLV H ATOM 4869 OH2 TIP3 947 12.327 35.828 13.191 1.00 0.00 SOLV O ATOM 4870 H1 TIP3 947 11.514 36.199 12.793 1.00 0.00 SOLV H ATOM 4871 H2 TIP3 947 12.988 36.493 12.942 1.00 0.00 SOLV H ATOM 4872 OH2 TIP3 948 14.786 37.418 13.206 1.00 0.00 SOLV O ATOM 4873 H1 TIP3 948 14.905 38.348 12.919 1.00 0.00 SOLV H ATOM 4874 H2 TIP3 948 15.163 36.929 12.439 1.00 0.00 SOLV H ATOM 4875 OH2 TIP3 949 2.490 36.356 10.702 1.00 0.00 SOLV O ATOM 4876 H1 TIP3 949 2.101 35.789 11.398 1.00 0.00 SOLV H ATOM 4877 H2 TIP3 949 3.228 35.789 10.399 1.00 0.00 SOLV H ATOM 4878 OH2 TIP3 950 4.480 34.912 9.554 1.00 0.00 SOLV O ATOM 4879 H1 TIP3 950 4.317 33.989 9.870 1.00 0.00 SOLV H ATOM 4880 H2 TIP3 950 5.410 35.039 9.824 1.00 0.00 SOLV H ATOM 4881 OH2 TIP3 951 7.152 35.264 10.478 1.00 0.00 SOLV O ATOM 4882 H1 TIP3 951 7.264 34.320 10.234 1.00 0.00 SOLV H ATOM 4883 H2 TIP3 951 7.448 35.216 11.408 1.00 0.00 SOLV H ATOM 4884 OH2 TIP3 952 10.476 21.060 9.456 1.00 0.00 SOLV O ATOM 4885 H1 TIP3 952 9.859 20.326 9.623 1.00 0.00 SOLV H ATOM 4886 H2 TIP3 952 11.247 20.603 9.066 1.00 0.00 SOLV H ATOM 4887 OH2 TIP3 953 15.476 19.305 9.508 1.00 0.00 SOLV O ATOM 4888 H1 TIP3 953 16.095 19.801 8.928 1.00 0.00 SOLV H ATOM 4889 H2 TIP3 953 14.610 19.580 9.155 1.00 0.00 SOLV H ATOM 4890 OH2 TIP3 954 17.199 20.348 7.658 1.00 0.00 SOLV O ATOM 4891 H1 TIP3 954 17.934 19.763 7.372 1.00 0.00 SOLV H ATOM 4892 H2 TIP3 954 17.698 21.181 7.821 1.00 0.00 SOLV H ATOM 4893 OH2 TIP3 955 2.904 19.666 7.057 1.00 0.00 SOLV O ATOM 4894 H1 TIP3 955 2.226 19.751 6.360 1.00 0.00 SOLV H ATOM 4895 H2 TIP3 955 3.174 18.723 6.964 1.00 0.00 SOLV H ATOM 4896 OH2 TIP3 956 1.840 19.224 2.787 1.00 0.00 SOLV O ATOM 4897 H1 TIP3 956 2.385 19.936 2.383 1.00 0.00 SOLV H ATOM 4898 H2 TIP3 956 1.589 19.671 3.626 1.00 0.00 SOLV H ATOM 4899 OH2 TIP3 957 7.506 19.403 7.075 1.00 0.00 SOLV O ATOM 4900 H1 TIP3 957 8.292 19.826 6.691 1.00 0.00 SOLV H ATOM 4901 H2 TIP3 957 7.659 19.510 8.026 1.00 0.00 SOLV H ATOM 4902 OH2 TIP3 958 12.863 19.799 8.495 1.00 0.00 SOLV O ATOM 4903 H1 TIP3 958 13.117 19.482 7.617 1.00 0.00 SOLV H ATOM 4904 H2 TIP3 958 12.533 18.967 8.908 1.00 0.00 SOLV H ATOM 4905 OH2 TIP3 959 14.340 19.882 4.391 1.00 0.00 SOLV O ATOM 4906 H1 TIP3 959 13.493 20.357 4.355 1.00 0.00 SOLV H ATOM 4907 H2 TIP3 959 14.020 18.974 4.593 1.00 0.00 SOLV H ATOM 4908 OH2 TIP3 960 1.717 35.582 3.717 1.00 0.00 SOLV O ATOM 4909 H1 TIP3 960 1.046 35.183 3.149 1.00 0.00 SOLV H ATOM 4910 H2 TIP3 960 1.753 36.500 3.394 1.00 0.00 SOLV H ATOM 4911 OH2 TIP3 961 3.601 21.099 1.888 1.00 0.00 SOLV O ATOM 4912 H1 TIP3 961 3.952 20.805 1.039 1.00 0.00 SOLV H ATOM 4913 H2 TIP3 961 4.400 21.475 2.313 1.00 0.00 SOLV H ATOM 4914 OH2 TIP3 962 8.514 21.892 3.890 1.00 0.00 SOLV O ATOM 4915 H1 TIP3 962 8.835 21.218 4.517 1.00 0.00 SOLV H ATOM 4916 H2 TIP3 962 8.726 22.700 4.409 1.00 0.00 SOLV H ATOM 4917 OH2 TIP3 963 10.338 37.197 1.927 1.00 0.00 SOLV O ATOM 4918 H1 TIP3 963 11.318 37.201 2.048 1.00 0.00 SOLV H ATOM 4919 H2 TIP3 963 10.250 36.278 1.579 1.00 0.00 SOLV H ATOM 4920 OH2 TIP3 964 17.310 36.353 5.174 1.00 0.00 SOLV O ATOM 4921 H1 TIP3 964 17.113 35.433 4.864 1.00 0.00 SOLV H ATOM 4922 H2 TIP3 964 17.044 36.861 4.380 1.00 0.00 SOLV H ATOM 4923 OH2 TIP3 965 2.744 20.348 16.668 1.00 0.00 SOLV O ATOM 4924 H1 TIP3 965 2.177 19.573 16.880 1.00 0.00 SOLV H ATOM 4925 H2 TIP3 965 3.567 20.073 17.122 1.00 0.00 SOLV H ATOM 4926 OH2 TIP3 966 4.894 19.625 18.342 1.00 0.00 SOLV O ATOM 4927 H1 TIP3 966 5.757 19.284 18.048 1.00 0.00 SOLV H ATOM 4928 H2 TIP3 966 4.506 18.829 18.765 1.00 0.00 SOLV H ATOM 4929 OH2 TIP3 967 3.258 36.394 0.839 1.00 0.00 SOLV O ATOM 4930 H1 TIP3 967 2.765 36.843 1.543 1.00 0.00 SOLV H ATOM 4931 H2 TIP3 967 3.835 35.798 1.339 1.00 0.00 SOLV H ATOM 4932 OH2 TIP3 968 13.479 19.086 18.405 1.00 0.00 SOLV O ATOM 4933 H1 TIP3 968 13.342 18.584 19.237 1.00 0.00 SOLV H ATOM 4934 H2 TIP3 968 14.429 18.918 18.229 1.00 0.00 SOLV H ATOM 4935 OH2 TIP3 969 16.227 35.009 17.154 1.00 0.00 SOLV O ATOM 4936 H1 TIP3 969 15.604 34.987 16.395 1.00 0.00 SOLV H ATOM 4937 H2 TIP3 969 16.162 35.954 17.402 1.00 0.00 SOLV H ATOM 4938 OH2 TIP3 970 30.926 29.066 6.979 1.00 0.00 SOLV O ATOM 4939 H1 TIP3 970 30.686 30.002 6.801 1.00 0.00 SOLV H ATOM 4940 H2 TIP3 970 30.258 28.619 6.429 1.00 0.00 SOLV H ATOM 4941 OH2 TIP3 971 29.375 28.360 10.942 1.00 0.00 SOLV O ATOM 4942 H1 TIP3 971 29.828 27.751 11.554 1.00 0.00 SOLV H ATOM 4943 H2 TIP3 971 29.210 27.770 10.189 1.00 0.00 SOLV H ATOM 4944 OH2 TIP3 972 21.919 27.724 12.177 1.00 0.00 SOLV O ATOM 4945 H1 TIP3 972 21.917 26.905 12.708 1.00 0.00 SOLV H ATOM 4946 H2 TIP3 972 22.814 28.046 12.353 1.00 0.00 SOLV H ATOM 4947 OH2 TIP3 973 33.503 31.203 8.847 1.00 0.00 SOLV O ATOM 4948 H1 TIP3 973 32.731 30.621 8.873 1.00 0.00 SOLV H ATOM 4949 H2 TIP3 973 33.323 31.866 9.530 1.00 0.00 SOLV H ATOM 4950 OH2 TIP3 974 23.145 32.427 10.369 1.00 0.00 SOLV O ATOM 4951 H1 TIP3 974 22.916 31.503 10.120 1.00 0.00 SOLV H ATOM 4952 H2 TIP3 974 24.084 32.311 10.599 1.00 0.00 SOLV H ATOM 4953 OH2 TIP3 975 19.855 25.700 5.795 1.00 0.00 SOLV O ATOM 4954 H1 TIP3 975 19.412 26.506 6.115 1.00 0.00 SOLV H ATOM 4955 H2 TIP3 975 19.232 25.444 5.086 1.00 0.00 SOLV H ATOM 4956 OH2 TIP3 976 20.175 27.944 8.420 1.00 0.00 SOLV O ATOM 4957 H1 TIP3 976 20.472 27.030 8.635 1.00 0.00 SOLV H ATOM 4958 H2 TIP3 976 20.966 28.316 8.010 1.00 0.00 SOLV H ATOM 4959 OH2 TIP3 977 30.713 36.302 9.365 1.00 0.00 SOLV O ATOM 4960 H1 TIP3 977 31.132 35.648 8.769 1.00 0.00 SOLV H ATOM 4961 H2 TIP3 977 30.333 35.735 10.047 1.00 0.00 SOLV H ATOM 4962 OH2 TIP3 978 28.054 30.784 11.145 1.00 0.00 SOLV O ATOM 4963 H1 TIP3 978 28.384 29.885 10.915 1.00 0.00 SOLV H ATOM 4964 H2 TIP3 978 28.866 31.128 11.560 1.00 0.00 SOLV H ATOM 4965 OH2 TIP3 979 36.834 22.347 12.366 1.00 0.00 SOLV O ATOM 4966 H1 TIP3 979 36.977 23.005 13.086 1.00 0.00 SOLV H ATOM 4967 H2 TIP3 979 37.187 22.830 11.605 1.00 0.00 SOLV H ATOM 4968 OH2 TIP3 980 31.217 25.151 11.120 1.00 0.00 SOLV O ATOM 4969 H1 TIP3 980 31.433 24.210 11.278 1.00 0.00 SOLV H ATOM 4970 H2 TIP3 980 31.093 25.131 10.149 1.00 0.00 SOLV H ATOM 4971 OH2 TIP3 981 24.652 23.071 8.519 1.00 0.00 SOLV O ATOM 4972 H1 TIP3 981 24.749 23.924 8.048 1.00 0.00 SOLV H ATOM 4973 H2 TIP3 981 24.193 22.541 7.834 1.00 0.00 SOLV H ATOM 4974 OH2 TIP3 982 32.435 23.356 6.792 1.00 0.00 SOLV O ATOM 4975 H1 TIP3 982 32.865 22.947 7.581 1.00 0.00 SOLV H ATOM 4976 H2 TIP3 982 33.218 23.709 6.333 1.00 0.00 SOLV H ATOM 4977 OH2 TIP3 983 21.082 25.481 9.155 1.00 0.00 SOLV O ATOM 4978 H1 TIP3 983 21.718 25.046 9.756 1.00 0.00 SOLV H ATOM 4979 H2 TIP3 983 21.369 25.088 8.302 1.00 0.00 SOLV H ATOM 4980 OH2 TIP3 984 26.042 26.965 8.812 1.00 0.00 SOLV O ATOM 4981 H1 TIP3 984 26.882 26.524 9.077 1.00 0.00 SOLV H ATOM 4982 H2 TIP3 984 25.656 26.292 8.209 1.00 0.00 SOLV H ATOM 4983 OH2 TIP3 985 23.355 22.093 12.583 1.00 0.00 SOLV O ATOM 4984 H1 TIP3 985 23.046 22.684 11.870 1.00 0.00 SOLV H ATOM 4985 H2 TIP3 985 22.635 22.214 13.236 1.00 0.00 SOLV H ATOM 4986 OH2 TIP3 986 30.231 31.531 6.037 1.00 0.00 SOLV O ATOM 4987 H1 TIP3 986 30.356 31.733 5.101 1.00 0.00 SOLV H ATOM 4988 H2 TIP3 986 29.875 32.381 6.368 1.00 0.00 SOLV H ATOM 4989 OH2 TIP3 987 25.995 29.810 12.612 1.00 0.00 SOLV O ATOM 4990 H1 TIP3 987 25.454 30.540 12.982 1.00 0.00 SOLV H ATOM 4991 H2 TIP3 987 26.674 30.300 12.101 1.00 0.00 SOLV H ATOM 4992 OH2 TIP3 988 33.713 22.651 9.059 1.00 0.00 SOLV O ATOM 4993 H1 TIP3 988 33.244 22.274 9.818 1.00 0.00 SOLV H ATOM 4994 H2 TIP3 988 34.271 23.324 9.512 1.00 0.00 SOLV H ATOM 4995 OH2 TIP3 989 22.909 23.853 10.488 1.00 0.00 SOLV O ATOM 4996 H1 TIP3 989 23.524 24.389 11.037 1.00 0.00 SOLV H ATOM 4997 H2 TIP3 989 23.541 23.514 9.811 1.00 0.00 SOLV H ATOM 4998 OH2 TIP3 990 24.428 31.872 13.736 1.00 0.00 SOLV O ATOM 4999 H1 TIP3 990 24.366 32.839 13.595 1.00 0.00 SOLV H ATOM 5000 H2 TIP3 990 23.494 31.684 13.964 1.00 0.00 SOLV H ATOM 5001 OH2 TIP3 991 20.099 31.415 4.249 1.00 0.00 SOLV O ATOM 5002 H1 TIP3 991 19.993 31.891 3.398 1.00 0.00 SOLV H ATOM 5003 H2 TIP3 991 20.355 32.167 4.828 1.00 0.00 SOLV H ATOM 5004 OH2 TIP3 992 33.791 33.193 10.999 1.00 0.00 SOLV O ATOM 5005 H1 TIP3 992 32.832 33.340 11.208 1.00 0.00 SOLV H ATOM 5006 H2 TIP3 992 34.063 34.118 10.788 1.00 0.00 SOLV H ATOM 5007 OH2 TIP3 993 34.352 21.056 12.634 1.00 0.00 SOLV O ATOM 5008 H1 TIP3 993 33.756 21.817 12.609 1.00 0.00 SOLV H ATOM 5009 H2 TIP3 993 35.214 21.487 12.451 1.00 0.00 SOLV H ATOM 5010 OH2 TIP3 994 26.989 19.149 10.008 1.00 0.00 SOLV O ATOM 5011 H1 TIP3 994 26.660 18.227 9.997 1.00 0.00 SOLV H ATOM 5012 H2 TIP3 994 26.204 19.609 10.379 1.00 0.00 SOLV H ATOM 5013 OH2 TIP3 995 32.034 34.774 7.433 1.00 0.00 SOLV O ATOM 5014 H1 TIP3 995 32.445 33.925 7.132 1.00 0.00 SOLV H ATOM 5015 H2 TIP3 995 32.834 35.352 7.412 1.00 0.00 SOLV H ATOM 5016 OH2 TIP3 996 33.309 32.571 6.471 1.00 0.00 SOLV O ATOM 5017 H1 TIP3 996 33.413 31.960 5.721 1.00 0.00 SOLV H ATOM 5018 H2 TIP3 996 33.567 32.000 7.225 1.00 0.00 SOLV H ATOM 5019 OH2 TIP3 997 29.513 28.165 4.743 1.00 0.00 SOLV O ATOM 5020 H1 TIP3 997 28.904 28.877 4.471 1.00 0.00 SOLV H ATOM 5021 H2 TIP3 997 30.137 28.127 3.993 1.00 0.00 SOLV H ATOM 5022 OH2 TIP3 998 29.636 26.563 1.182 1.00 0.00 SOLV O ATOM 5023 H1 TIP3 998 30.294 26.858 1.834 1.00 0.00 SOLV H ATOM 5024 H2 TIP3 998 30.151 25.928 0.646 1.00 0.00 SOLV H ATOM 5025 OH2 TIP3 999 37.150 27.626 12.935 1.00 0.00 SOLV O ATOM 5026 H1 TIP3 999 36.472 28.287 13.049 1.00 0.00 SOLV H ATOM 5027 H2 TIP3 999 37.613 27.924 12.132 1.00 0.00 SOLV H ATOM 5028 OH2 TIP3 1000 33.034 28.382 5.362 1.00 0.00 SOLV O ATOM 5029 H1 TIP3 1000 32.367 28.560 6.065 1.00 0.00 SOLV H ATOM 5030 H2 TIP3 1000 33.696 27.867 5.875 1.00 0.00 SOLV H ATOM 5031 OH2 TIP3 1001 32.744 26.349 14.939 1.00 0.00 SOLV O ATOM 5032 H1 TIP3 1001 32.672 27.006 15.659 1.00 0.00 SOLV H ATOM 5033 H2 TIP3 1001 32.037 26.646 14.332 1.00 0.00 SOLV H ATOM 5034 OH2 TIP3 1002 24.596 28.970 7.554 1.00 0.00 SOLV O ATOM 5035 H1 TIP3 1002 24.307 28.602 6.690 1.00 0.00 SOLV H ATOM 5036 H2 TIP3 1002 25.131 28.234 7.922 1.00 0.00 SOLV H ATOM 5037 OH2 TIP3 1003 26.018 32.473 10.162 1.00 0.00 SOLV O ATOM 5038 H1 TIP3 1003 26.030 32.352 9.198 1.00 0.00 SOLV H ATOM 5039 H2 TIP3 1003 26.743 31.876 10.450 1.00 0.00 SOLV H ATOM 5040 OH2 TIP3 1004 24.760 27.810 11.127 1.00 0.00 SOLV O ATOM 5041 H1 TIP3 1004 25.296 27.580 10.335 1.00 0.00 SOLV H ATOM 5042 H2 TIP3 1004 25.313 28.487 11.568 1.00 0.00 SOLV H ATOM 5043 OH2 TIP3 1005 31.267 33.340 11.843 1.00 0.00 SOLV O ATOM 5044 H1 TIP3 1005 31.138 34.046 12.511 1.00 0.00 SOLV H ATOM 5045 H2 TIP3 1005 30.920 32.541 12.290 1.00 0.00 SOLV H ATOM 5046 OH2 TIP3 1006 26.037 32.312 15.900 1.00 0.00 SOLV O ATOM 5047 H1 TIP3 1006 25.351 32.920 16.249 1.00 0.00 SOLV H ATOM 5048 H2 TIP3 1006 25.567 31.980 15.103 1.00 0.00 SOLV H ATOM 5049 OH2 TIP3 1007 31.695 27.646 3.064 1.00 0.00 SOLV O ATOM 5050 H1 TIP3 1007 32.205 27.997 3.829 1.00 0.00 SOLV H ATOM 5051 H2 TIP3 1007 32.244 27.991 2.317 1.00 0.00 SOLV H ATOM 5052 OH2 TIP3 1008 22.901 28.245 15.160 1.00 0.00 SOLV O ATOM 5053 H1 TIP3 1008 22.888 28.986 15.790 1.00 0.00 SOLV H ATOM 5054 H2 TIP3 1008 21.940 28.085 15.065 1.00 0.00 SOLV H ATOM 5055 OH2 TIP3 1009 29.563 34.143 6.578 1.00 0.00 SOLV O ATOM 5056 H1 TIP3 1009 30.450 34.350 6.942 1.00 0.00 SOLV H ATOM 5057 H2 TIP3 1009 29.197 35.017 6.412 1.00 0.00 SOLV H ATOM 5058 OH2 TIP3 1010 24.025 34.085 16.639 1.00 0.00 SOLV O ATOM 5059 H1 TIP3 1010 23.988 34.406 15.715 1.00 0.00 SOLV H ATOM 5060 H2 TIP3 1010 23.079 33.896 16.828 1.00 0.00 SOLV H ATOM 5061 OH2 TIP3 1011 35.579 19.168 3.024 1.00 0.00 SOLV O ATOM 5062 H1 TIP3 1011 34.670 19.428 3.280 1.00 0.00 SOLV H ATOM 5063 H2 TIP3 1011 35.946 20.024 2.716 1.00 0.00 SOLV H ATOM 5064 OH2 TIP3 1012 23.655 28.161 5.015 1.00 0.00 SOLV O ATOM 5065 H1 TIP3 1012 23.110 28.744 4.447 1.00 0.00 SOLV H ATOM 5066 H2 TIP3 1012 23.264 27.296 4.853 1.00 0.00 SOLV H ATOM 5067 OH2 TIP3 1013 36.670 33.796 1.544 1.00 0.00 SOLV O ATOM 5068 H1 TIP3 1013 37.082 34.673 1.469 1.00 0.00 SOLV H ATOM 5069 H2 TIP3 1013 37.461 33.219 1.569 1.00 0.00 SOLV H ATOM 5070 OH2 TIP3 1014 19.595 30.536 13.971 1.00 0.00 SOLV O ATOM 5071 H1 TIP3 1014 19.069 30.600 13.145 1.00 0.00 SOLV H ATOM 5072 H2 TIP3 1014 19.772 29.574 14.041 1.00 0.00 SOLV H ATOM 5073 OH2 TIP3 1015 19.506 33.434 10.463 1.00 0.00 SOLV O ATOM 5074 H1 TIP3 1015 20.378 33.146 10.767 1.00 0.00 SOLV H ATOM 5075 H2 TIP3 1015 19.244 34.044 11.171 1.00 0.00 SOLV H ATOM 5076 OH2 TIP3 1016 37.694 34.037 16.665 1.00 0.00 SOLV O ATOM 5077 H1 TIP3 1016 37.563 33.082 16.794 1.00 0.00 SOLV H ATOM 5078 H2 TIP3 1016 36.828 34.392 16.965 1.00 0.00 SOLV H ATOM 5079 OH2 TIP3 1017 28.477 33.336 15.261 1.00 0.00 SOLV O ATOM 5080 H1 TIP3 1017 28.483 34.205 15.716 1.00 0.00 SOLV H ATOM 5081 H2 TIP3 1017 27.568 33.022 15.463 1.00 0.00 SOLV H ATOM 5082 OH2 TIP3 1018 29.118 36.929 4.961 1.00 0.00 SOLV O ATOM 5083 H1 TIP3 1018 29.125 37.277 4.053 1.00 0.00 SOLV H ATOM 5084 H2 TIP3 1018 28.947 37.744 5.474 1.00 0.00 SOLV H ATOM 5085 OH2 TIP3 1019 22.300 35.788 7.154 1.00 0.00 SOLV O ATOM 5086 H1 TIP3 1019 22.813 35.444 7.919 1.00 0.00 SOLV H ATOM 5087 H2 TIP3 1019 21.398 35.643 7.520 1.00 0.00 SOLV H ATOM 5088 OH2 TIP3 1020 31.721 36.490 2.172 1.00 0.00 SOLV O ATOM 5089 H1 TIP3 1020 32.349 35.930 1.663 1.00 0.00 SOLV H ATOM 5090 H2 TIP3 1020 32.029 36.334 3.083 1.00 0.00 SOLV H ATOM 5091 OH2 TIP3 1021 31.851 36.403 4.940 1.00 0.00 SOLV O ATOM 5092 H1 TIP3 1021 30.885 36.405 5.073 1.00 0.00 SOLV H ATOM 5093 H2 TIP3 1021 32.157 35.804 5.640 1.00 0.00 SOLV H ATOM 5094 OH2 TIP3 1022 34.645 25.106 16.716 1.00 0.00 SOLV O ATOM 5095 H1 TIP3 1022 34.054 25.312 15.977 1.00 0.00 SOLV H ATOM 5096 H2 TIP3 1022 35.117 24.323 16.391 1.00 0.00 SOLV H ATOM 5097 OH2 TIP3 1023 21.819 31.968 14.684 1.00 0.00 SOLV O ATOM 5098 H1 TIP3 1023 22.039 31.508 15.519 1.00 0.00 SOLV H ATOM 5099 H2 TIP3 1023 21.022 31.469 14.399 1.00 0.00 SOLV H ATOM 5100 OH2 TIP3 1024 24.535 20.164 10.952 1.00 0.00 SOLV O ATOM 5101 H1 TIP3 1024 23.759 20.109 10.357 1.00 0.00 SOLV H ATOM 5102 H2 TIP3 1024 24.228 20.871 11.555 1.00 0.00 SOLV H ATOM 5103 OH2 TIP3 1025 29.351 19.843 14.311 1.00 0.00 SOLV O ATOM 5104 H1 TIP3 1025 29.832 19.329 14.995 1.00 0.00 SOLV H ATOM 5105 H2 TIP3 1025 28.417 19.722 14.570 1.00 0.00 SOLV H ATOM 5106 OH2 TIP3 1026 32.179 23.633 14.825 1.00 0.00 SOLV O ATOM 5107 H1 TIP3 1026 31.633 23.578 15.638 1.00 0.00 SOLV H ATOM 5108 H2 TIP3 1026 32.443 24.570 14.816 1.00 0.00 SOLV H ATOM 5109 OH2 TIP3 1027 33.261 28.553 1.041 1.00 0.00 SOLV O ATOM 5110 H1 TIP3 1027 33.016 28.729 0.112 1.00 0.00 SOLV H ATOM 5111 H2 TIP3 1027 34.223 28.720 1.017 1.00 0.00 SOLV H ATOM 5112 OH2 TIP3 1028 28.956 22.502 1.730 1.00 0.00 SOLV O ATOM 5113 H1 TIP3 1028 28.415 22.233 2.499 1.00 0.00 SOLV H ATOM 5114 H2 TIP3 1028 28.448 22.135 0.999 1.00 0.00 SOLV H ATOM 5115 OH2 TIP3 1029 24.575 25.285 12.158 1.00 0.00 SOLV O ATOM 5116 H1 TIP3 1029 23.907 25.391 12.866 1.00 0.00 SOLV H ATOM 5117 H2 TIP3 1029 24.648 26.205 11.823 1.00 0.00 SOLV H ATOM 5118 OH2 TIP3 1030 24.609 25.379 7.077 1.00 0.00 SOLV O ATOM 5119 H1 TIP3 1030 23.645 25.211 6.988 1.00 0.00 SOLV H ATOM 5120 H2 TIP3 1030 24.916 25.052 6.202 1.00 0.00 SOLV H ATOM 5121 OH2 TIP3 1031 30.150 25.691 5.842 1.00 0.00 SOLV O ATOM 5122 H1 TIP3 1031 29.924 26.555 5.439 1.00 0.00 SOLV H ATOM 5123 H2 TIP3 1031 30.815 25.340 5.215 1.00 0.00 SOLV H ATOM 5124 OH2 TIP3 1032 29.273 25.967 17.117 1.00 0.00 SOLV O ATOM 5125 H1 TIP3 1032 28.782 25.186 17.452 1.00 0.00 SOLV H ATOM 5126 H2 TIP3 1032 30.139 25.810 17.535 1.00 0.00 SOLV H ATOM 5127 OH2 TIP3 1033 30.924 25.127 8.419 1.00 0.00 SOLV O ATOM 5128 H1 TIP3 1033 30.562 25.553 7.613 1.00 0.00 SOLV H ATOM 5129 H2 TIP3 1033 31.430 24.414 7.977 1.00 0.00 SOLV H ATOM 5130 OH2 TIP3 1034 22.366 25.434 13.820 1.00 0.00 SOLV O ATOM 5131 H1 TIP3 1034 22.691 25.703 14.693 1.00 0.00 SOLV H ATOM 5132 H2 TIP3 1034 21.960 24.566 14.022 1.00 0.00 SOLV H ATOM 5133 OH2 TIP3 1035 25.241 22.574 0.167 1.00 0.00 SOLV O ATOM 5134 H1 TIP3 1035 25.136 22.450 1.130 1.00 0.00 SOLV H ATOM 5135 H2 TIP3 1035 25.185 23.540 0.087 1.00 0.00 SOLV H ATOM 5136 OH2 TIP3 1036 18.933 22.412 7.713 1.00 0.00 SOLV O ATOM 5137 H1 TIP3 1036 19.554 22.480 8.465 1.00 0.00 SOLV H ATOM 5138 H2 TIP3 1036 19.502 22.187 6.961 1.00 0.00 SOLV H ATOM 5139 OH2 TIP3 1037 19.806 23.315 2.977 1.00 0.00 SOLV O ATOM 5140 H1 TIP3 1037 20.661 23.544 2.582 1.00 0.00 SOLV H ATOM 5141 H2 TIP3 1037 19.407 24.186 3.164 1.00 0.00 SOLV H ATOM 5142 OH2 TIP3 1038 30.485 26.810 13.104 1.00 0.00 SOLV O ATOM 5143 H1 TIP3 1038 30.849 26.213 12.405 1.00 0.00 SOLV H ATOM 5144 H2 TIP3 1038 29.891 26.177 13.564 1.00 0.00 SOLV H ATOM 5145 OH2 TIP3 1039 27.466 22.881 7.955 1.00 0.00 SOLV O ATOM 5146 H1 TIP3 1039 26.584 22.856 8.369 1.00 0.00 SOLV H ATOM 5147 H2 TIP3 1039 28.012 22.380 8.594 1.00 0.00 SOLV H ATOM 5148 OH2 TIP3 1040 22.061 24.483 6.787 1.00 0.00 SOLV O ATOM 5149 H1 TIP3 1040 21.251 24.793 6.315 1.00 0.00 SOLV H ATOM 5150 H2 TIP3 1040 22.189 23.578 6.444 1.00 0.00 SOLV H ATOM 5151 OH2 TIP3 1041 25.355 24.392 4.668 1.00 0.00 SOLV O ATOM 5152 H1 TIP3 1041 26.327 24.384 4.816 1.00 0.00 SOLV H ATOM 5153 H2 TIP3 1041 25.244 25.041 3.940 1.00 0.00 SOLV H ATOM 5154 OH2 TIP3 1042 31.424 22.399 11.116 1.00 0.00 SOLV O ATOM 5155 H1 TIP3 1042 30.941 22.348 11.968 1.00 0.00 SOLV H ATOM 5156 H2 TIP3 1042 30.813 21.934 10.527 1.00 0.00 SOLV H ATOM 5157 OH2 TIP3 1043 24.497 25.922 2.590 1.00 0.00 SOLV O ATOM 5158 H1 TIP3 1043 23.630 25.555 2.360 1.00 0.00 SOLV H ATOM 5159 H2 TIP3 1043 24.925 25.950 1.718 1.00 0.00 SOLV H ATOM 5160 OH2 TIP3 1044 34.957 37.832 17.580 1.00 0.00 SOLV O ATOM 5161 H1 TIP3 1044 35.300 38.226 16.756 1.00 0.00 SOLV H ATOM 5162 H2 TIP3 1044 35.716 38.006 18.189 1.00 0.00 SOLV H ATOM 5163 OH2 TIP3 1045 22.629 30.465 16.990 1.00 0.00 SOLV O ATOM 5164 H1 TIP3 1045 23.285 30.375 17.694 1.00 0.00 SOLV H ATOM 5165 H2 TIP3 1045 21.799 30.313 17.484 1.00 0.00 SOLV H ATOM 5166 OH2 TIP3 1046 28.255 25.679 9.810 1.00 0.00 SOLV O ATOM 5167 H1 TIP3 1046 29.060 25.265 9.461 1.00 0.00 SOLV H ATOM 5168 H2 TIP3 1046 27.988 25.053 10.513 1.00 0.00 SOLV H ATOM 5169 OH2 TIP3 1047 23.241 21.842 6.445 1.00 0.00 SOLV O ATOM 5170 H1 TIP3 1047 22.617 21.116 6.675 1.00 0.00 SOLV H ATOM 5171 H2 TIP3 1047 23.839 21.371 5.851 1.00 0.00 SOLV H ATOM 5172 OH2 TIP3 1048 27.187 24.304 12.198 1.00 0.00 SOLV O ATOM 5173 H1 TIP3 1048 26.315 24.741 12.266 1.00 0.00 SOLV H ATOM 5174 H2 TIP3 1048 27.677 24.658 12.966 1.00 0.00 SOLV H ATOM 5175 OH2 TIP3 1049 27.636 30.206 3.917 1.00 0.00 SOLV O ATOM 5176 H1 TIP3 1049 26.903 29.711 3.493 1.00 0.00 SOLV H ATOM 5177 H2 TIP3 1049 27.246 30.377 4.811 1.00 0.00 SOLV H ATOM 5178 OH2 TIP3 1050 31.672 22.871 2.123 1.00 0.00 SOLV O ATOM 5179 H1 TIP3 1050 30.716 22.764 1.919 1.00 0.00 SOLV H ATOM 5180 H2 TIP3 1050 31.686 23.706 2.625 1.00 0.00 SOLV H ATOM 5181 OH2 TIP3 1051 29.366 30.591 15.091 1.00 0.00 SOLV O ATOM 5182 H1 TIP3 1051 29.096 30.009 15.813 1.00 0.00 SOLV H ATOM 5183 H2 TIP3 1051 28.958 31.445 15.318 1.00 0.00 SOLV H ATOM 5184 OH2 TIP3 1052 32.097 24.974 3.958 1.00 0.00 SOLV O ATOM 5185 H1 TIP3 1052 32.975 24.814 4.356 1.00 0.00 SOLV H ATOM 5186 H2 TIP3 1052 32.169 25.889 3.628 1.00 0.00 SOLV H ATOM 5187 OH2 TIP3 1053 23.018 29.777 9.687 1.00 0.00 SOLV O ATOM 5188 H1 TIP3 1053 23.556 29.543 8.902 1.00 0.00 SOLV H ATOM 5189 H2 TIP3 1053 23.205 29.027 10.273 1.00 0.00 SOLV H ATOM 5190 OH2 TIP3 1054 29.732 31.737 3.074 1.00 0.00 SOLV O ATOM 5191 H1 TIP3 1054 29.277 32.573 3.291 1.00 0.00 SOLV H ATOM 5192 H2 TIP3 1054 29.045 31.093 3.372 1.00 0.00 SOLV H ATOM 5193 OH2 TIP3 1055 20.064 27.980 15.051 1.00 0.00 SOLV O ATOM 5194 H1 TIP3 1055 20.004 27.558 15.929 1.00 0.00 SOLV H ATOM 5195 H2 TIP3 1055 19.379 27.500 14.557 1.00 0.00 SOLV H ATOM 5196 OH2 TIP3 1056 27.209 27.892 17.028 1.00 0.00 SOLV O ATOM 5197 H1 TIP3 1056 26.621 27.331 16.501 1.00 0.00 SOLV H ATOM 5198 H2 TIP3 1056 27.996 27.311 17.109 1.00 0.00 SOLV H ATOM 5199 OH2 TIP3 1057 31.345 33.466 15.079 1.00 0.00 SOLV O ATOM 5200 H1 TIP3 1057 30.398 33.262 14.993 1.00 0.00 SOLV H ATOM 5201 H2 TIP3 1057 31.433 33.488 16.052 1.00 0.00 SOLV H ATOM 5202 OH2 TIP3 1058 36.955 25.428 3.681 1.00 0.00 SOLV O ATOM 5203 H1 TIP3 1058 36.424 25.287 2.859 1.00 0.00 SOLV H ATOM 5204 H2 TIP3 1058 37.113 26.391 3.555 1.00 0.00 SOLV H ATOM 5205 OH2 TIP3 1059 37.230 31.126 16.370 1.00 0.00 SOLV O ATOM 5206 H1 TIP3 1059 36.323 31.443 16.266 1.00 0.00 SOLV H ATOM 5207 H2 TIP3 1059 37.543 30.977 15.449 1.00 0.00 SOLV H ATOM 5208 OH2 TIP3 1060 35.385 33.952 3.969 1.00 0.00 SOLV O ATOM 5209 H1 TIP3 1060 34.984 33.101 4.181 1.00 0.00 SOLV H ATOM 5210 H2 TIP3 1060 35.768 33.792 3.082 1.00 0.00 SOLV H ATOM 5211 OH2 TIP3 1061 25.390 33.145 7.229 1.00 0.00 SOLV O ATOM 5212 H1 TIP3 1061 25.559 34.030 6.856 1.00 0.00 SOLV H ATOM 5213 H2 TIP3 1061 24.431 33.082 7.172 1.00 0.00 SOLV H ATOM 5214 OH2 TIP3 1062 21.020 27.822 1.704 1.00 0.00 SOLV O ATOM 5215 H1 TIP3 1062 21.491 28.520 2.202 1.00 0.00 SOLV H ATOM 5216 H2 TIP3 1062 20.114 27.910 2.070 1.00 0.00 SOLV H ATOM 5217 OH2 TIP3 1063 26.341 30.716 6.226 1.00 0.00 SOLV O ATOM 5218 H1 TIP3 1063 26.126 31.581 6.624 1.00 0.00 SOLV H ATOM 5219 H2 TIP3 1063 25.798 30.112 6.768 1.00 0.00 SOLV H ATOM 5220 OH2 TIP3 1064 27.144 35.011 12.982 1.00 0.00 SOLV O ATOM 5221 H1 TIP3 1064 27.769 35.739 12.770 1.00 0.00 SOLV H ATOM 5222 H2 TIP3 1064 27.730 34.394 13.445 1.00 0.00 SOLV H ATOM 5223 OH2 TIP3 1065 25.217 35.917 6.219 1.00 0.00 SOLV O ATOM 5224 H1 TIP3 1065 24.336 36.103 6.580 1.00 0.00 SOLV H ATOM 5225 H2 TIP3 1065 25.715 36.713 6.525 1.00 0.00 SOLV H ATOM 5226 OH2 TIP3 1066 30.452 30.699 12.620 1.00 0.00 SOLV O ATOM 5227 H1 TIP3 1066 30.154 30.628 13.555 1.00 0.00 SOLV H ATOM 5228 H2 TIP3 1066 30.383 29.773 12.333 1.00 0.00 SOLV H ATOM 5229 OH2 TIP3 1067 32.893 32.012 1.921 1.00 0.00 SOLV O ATOM 5230 H1 TIP3 1067 33.388 31.479 2.574 1.00 0.00 SOLV H ATOM 5231 H2 TIP3 1067 32.008 31.984 2.305 1.00 0.00 SOLV H ATOM 5232 OH2 TIP3 1068 33.418 35.333 14.947 1.00 0.00 SOLV O ATOM 5233 H1 TIP3 1068 32.583 34.850 14.743 1.00 0.00 SOLV H ATOM 5234 H2 TIP3 1068 33.383 36.079 14.310 1.00 0.00 SOLV H ATOM 5235 OH2 TIP3 1069 37.566 36.562 1.876 1.00 0.00 SOLV O ATOM 5236 H1 TIP3 1069 38.199 37.257 2.170 1.00 0.00 SOLV H ATOM 5237 H2 TIP3 1069 36.733 36.972 2.197 1.00 0.00 SOLV H ATOM 5238 OH2 TIP3 1070 21.295 22.817 14.336 1.00 0.00 SOLV O ATOM 5239 H1 TIP3 1070 20.342 22.981 14.192 1.00 0.00 SOLV H ATOM 5240 H2 TIP3 1070 21.272 22.108 14.998 1.00 0.00 SOLV H ATOM 5241 OH2 TIP3 1071 33.974 30.750 4.246 1.00 0.00 SOLV O ATOM 5242 H1 TIP3 1071 33.566 29.933 4.603 1.00 0.00 SOLV H ATOM 5243 H2 TIP3 1071 34.915 30.465 4.236 1.00 0.00 SOLV H ATOM 5244 OH2 TIP3 1072 21.149 34.454 12.781 1.00 0.00 SOLV O ATOM 5245 H1 TIP3 1072 21.428 33.633 13.225 1.00 0.00 SOLV H ATOM 5246 H2 TIP3 1072 21.310 35.113 13.469 1.00 0.00 SOLV H ATOM 5247 OH2 TIP3 1073 26.918 33.085 0.374 1.00 0.00 SOLV O ATOM 5248 H1 TIP3 1073 27.039 32.246 -0.096 1.00 0.00 SOLV H ATOM 5249 H2 TIP3 1073 26.358 32.817 1.130 1.00 0.00 SOLV H ATOM 5250 OH2 TIP3 1074 25.697 32.646 2.905 1.00 0.00 SOLV O ATOM 5251 H1 TIP3 1074 26.280 32.034 3.381 1.00 0.00 SOLV H ATOM 5252 H2 TIP3 1074 26.003 33.498 3.247 1.00 0.00 SOLV H ATOM 5253 OH2 TIP3 1075 22.148 29.815 3.318 1.00 0.00 SOLV O ATOM 5254 H1 TIP3 1075 21.408 30.283 3.765 1.00 0.00 SOLV H ATOM 5255 H2 TIP3 1075 22.600 30.567 2.894 1.00 0.00 SOLV H ATOM 5256 OH2 TIP3 1076 30.145 22.419 13.548 1.00 0.00 SOLV O ATOM 5257 H1 TIP3 1076 30.964 22.686 14.021 1.00 0.00 SOLV H ATOM 5258 H2 TIP3 1076 29.958 21.532 13.923 1.00 0.00 SOLV H ATOM 5259 OH2 TIP3 1077 30.999 21.817 4.898 1.00 0.00 SOLV O ATOM 5260 H1 TIP3 1077 31.264 22.210 4.049 1.00 0.00 SOLV H ATOM 5261 H2 TIP3 1077 31.449 22.405 5.543 1.00 0.00 SOLV H ATOM 5262 OH2 TIP3 1078 28.339 34.141 3.483 1.00 0.00 SOLV O ATOM 5263 H1 TIP3 1078 28.619 34.900 4.027 1.00 0.00 SOLV H ATOM 5264 H2 TIP3 1078 28.655 34.371 2.588 1.00 0.00 SOLV H ATOM 5265 OH2 TIP3 1079 27.940 24.054 5.538 1.00 0.00 SOLV O ATOM 5266 H1 TIP3 1079 28.721 24.626 5.699 1.00 0.00 SOLV H ATOM 5267 H2 TIP3 1079 27.794 23.687 6.442 1.00 0.00 SOLV H ATOM 5268 OH2 TIP3 1080 28.935 24.947 14.379 1.00 0.00 SOLV O ATOM 5269 H1 TIP3 1080 29.051 25.100 15.336 1.00 0.00 SOLV H ATOM 5270 H2 TIP3 1080 29.294 24.043 14.266 1.00 0.00 SOLV H ATOM 5271 OH2 TIP3 1081 28.727 20.722 6.036 1.00 0.00 SOLV O ATOM 5272 H1 TIP3 1081 28.751 21.224 6.868 1.00 0.00 SOLV H ATOM 5273 H2 TIP3 1081 29.547 21.066 5.605 1.00 0.00 SOLV H ATOM 5274 OH2 TIP3 1082 24.909 35.820 3.477 1.00 0.00 SOLV O ATOM 5275 H1 TIP3 1082 25.709 36.227 3.072 1.00 0.00 SOLV H ATOM 5276 H2 TIP3 1082 25.219 35.671 4.397 1.00 0.00 SOLV H ATOM 5277 OH2 TIP3 1083 24.800 22.289 2.939 1.00 0.00 SOLV O ATOM 5278 H1 TIP3 1083 24.752 23.008 3.607 1.00 0.00 SOLV H ATOM 5279 H2 TIP3 1083 25.659 21.901 3.214 1.00 0.00 SOLV H ATOM 5280 OH2 TIP3 1084 33.536 26.448 9.221 1.00 0.00 SOLV O ATOM 5281 H1 TIP3 1084 32.614 26.178 9.332 1.00 0.00 SOLV H ATOM 5282 H2 TIP3 1084 34.004 25.815 9.805 1.00 0.00 SOLV H ATOM 5283 OH2 TIP3 1085 23.044 32.232 1.969 1.00 0.00 SOLV O ATOM 5284 H1 TIP3 1085 23.874 32.488 2.420 1.00 0.00 SOLV H ATOM 5285 H2 TIP3 1085 23.446 31.681 1.260 1.00 0.00 SOLV H ATOM 5286 OH2 TIP3 1086 21.747 25.276 1.160 1.00 0.00 SOLV O ATOM 5287 H1 TIP3 1086 21.462 26.192 1.390 1.00 0.00 SOLV H ATOM 5288 H2 TIP3 1086 20.974 24.950 0.680 1.00 0.00 SOLV H ATOM 5289 OH2 TIP3 1087 34.690 35.769 11.085 1.00 0.00 SOLV O ATOM 5290 H1 TIP3 1087 34.510 36.453 10.397 1.00 0.00 SOLV H ATOM 5291 H2 TIP3 1087 35.669 35.886 11.176 1.00 0.00 SOLV H ATOM 5292 OH2 TIP3 1088 22.006 19.973 9.790 1.00 0.00 SOLV O ATOM 5293 H1 TIP3 1088 21.922 19.843 8.821 1.00 0.00 SOLV H ATOM 5294 H2 TIP3 1088 21.641 19.133 10.136 1.00 0.00 SOLV H ATOM 5295 OH2 TIP3 1089 20.713 33.758 5.577 1.00 0.00 SOLV O ATOM 5296 H1 TIP3 1089 19.969 33.931 6.169 1.00 0.00 SOLV H ATOM 5297 H2 TIP3 1089 21.356 34.427 5.853 1.00 0.00 SOLV H ATOM 5298 OH2 TIP3 1090 20.364 36.758 17.562 1.00 0.00 SOLV O ATOM 5299 H1 TIP3 1090 21.078 36.482 18.179 1.00 0.00 SOLV H ATOM 5300 H2 TIP3 1090 20.009 35.897 17.284 1.00 0.00 SOLV H ATOM 5301 OH2 TIP3 1091 24.568 34.815 19.251 1.00 0.00 SOLV O ATOM 5302 H1 TIP3 1091 25.524 34.664 19.245 1.00 0.00 SOLV H ATOM 5303 H2 TIP3 1091 24.368 34.653 18.301 1.00 0.00 SOLV H ATOM 5304 OH2 TIP3 1092 29.099 34.611 0.875 1.00 0.00 SOLV O ATOM 5305 H1 TIP3 1092 28.349 34.036 0.593 1.00 0.00 SOLV H ATOM 5306 H2 TIP3 1092 29.823 34.254 0.338 1.00 0.00 SOLV H ATOM 5307 OH2 TIP3 1093 31.274 33.677 17.860 1.00 0.00 SOLV O ATOM 5308 H1 TIP3 1093 31.010 32.890 18.386 1.00 0.00 SOLV H ATOM 5309 H2 TIP3 1093 32.047 34.006 18.368 1.00 0.00 SOLV H ATOM 5310 OH2 TIP3 1094 33.487 34.725 1.056 1.00 0.00 SOLV O ATOM 5311 H1 TIP3 1094 33.576 33.835 1.441 1.00 0.00 SOLV H ATOM 5312 H2 TIP3 1094 34.345 34.869 0.636 1.00 0.00 SOLV H ATOM 5313 OH2 TIP3 1095 20.182 30.322 18.340 1.00 0.00 SOLV O ATOM 5314 H1 TIP3 1095 20.144 29.349 18.301 1.00 0.00 SOLV H ATOM 5315 H2 TIP3 1095 19.507 30.579 17.673 1.00 0.00 SOLV H ATOM 5316 OH2 TIP3 1096 24.610 30.481 0.682 1.00 0.00 SOLV O ATOM 5317 H1 TIP3 1096 24.981 29.901 1.383 1.00 0.00 SOLV H ATOM 5318 H2 TIP3 1096 25.190 30.315 -0.063 1.00 0.00 SOLV H ATOM 5319 OH2 TIP3 1097 26.587 30.406 17.828 1.00 0.00 SOLV O ATOM 5320 H1 TIP3 1097 26.486 30.879 16.977 1.00 0.00 SOLV H ATOM 5321 H2 TIP3 1097 26.879 29.508 17.533 1.00 0.00 SOLV H ATOM 5322 OH2 TIP3 1098 29.827 31.384 0.307 1.00 0.00 SOLV O ATOM 5323 H1 TIP3 1098 29.779 31.475 1.280 1.00 0.00 SOLV H ATOM 5324 H2 TIP3 1098 30.615 30.834 0.202 1.00 0.00 SOLV H ATOM 5325 OH2 TIP3 1099 21.312 27.581 17.786 1.00 0.00 SOLV O ATOM 5326 H1 TIP3 1099 21.977 26.875 17.608 1.00 0.00 SOLV H ATOM 5327 H2 TIP3 1099 21.323 27.588 18.763 1.00 0.00 SOLV H ATOM 5328 OH2 TIP3 1100 25.633 28.782 2.619 1.00 0.00 SOLV O ATOM 5329 H1 TIP3 1100 25.068 28.306 3.253 1.00 0.00 SOLV H ATOM 5330 H2 TIP3 1100 26.031 28.038 2.119 1.00 0.00 SOLV H ATOM 5331 OH2 TIP3 1101 24.956 26.389 15.221 1.00 0.00 SOLV O ATOM 5332 H1 TIP3 1101 24.300 27.115 15.128 1.00 0.00 SOLV H ATOM 5333 H2 TIP3 1101 25.692 26.732 14.662 1.00 0.00 SOLV H ATOM 5334 OH2 TIP3 1102 26.912 26.922 0.915 1.00 0.00 SOLV O ATOM 5335 H1 TIP3 1102 26.930 26.226 0.250 1.00 0.00 SOLV H ATOM 5336 H2 TIP3 1102 27.855 26.898 1.199 1.00 0.00 SOLV H ATOM 5337 OH2 TIP3 1103 30.149 29.133 18.681 1.00 0.00 SOLV O ATOM 5338 H1 TIP3 1103 30.996 28.738 18.434 1.00 0.00 SOLV H ATOM 5339 H2 TIP3 1103 29.784 28.386 19.204 1.00 0.00 SOLV H ATOM 5340 OH2 TIP3 1104 36.003 28.922 0.541 1.00 0.00 SOLV O ATOM 5341 H1 TIP3 1104 36.201 28.507 -0.306 1.00 0.00 SOLV H ATOM 5342 H2 TIP3 1104 36.209 29.852 0.305 1.00 0.00 SOLV H ATOM 5343 OH2 TIP3 1105 25.597 23.911 16.207 1.00 0.00 SOLV O ATOM 5344 H1 TIP3 1105 25.655 23.298 15.446 1.00 0.00 SOLV H ATOM 5345 H2 TIP3 1105 25.364 24.754 15.762 1.00 0.00 SOLV H ATOM 5346 OH2 TIP3 1106 25.796 22.300 13.857 1.00 0.00 SOLV O ATOM 5347 H1 TIP3 1106 26.366 22.756 13.211 1.00 0.00 SOLV H ATOM 5348 H2 TIP3 1106 24.937 22.274 13.384 1.00 0.00 SOLV H ATOM 5349 OH2 TIP3 1107 26.945 27.530 13.845 1.00 0.00 SOLV O ATOM 5350 H1 TIP3 1107 27.901 27.497 13.714 1.00 0.00 SOLV H ATOM 5351 H2 TIP3 1107 26.692 28.368 13.404 1.00 0.00 SOLV H ATOM 5352 OH2 TIP3 1108 31.614 25.318 18.785 1.00 0.00 SOLV O ATOM 5353 H1 TIP3 1108 31.722 24.363 18.639 1.00 0.00 SOLV H ATOM 5354 H2 TIP3 1108 32.527 25.619 18.664 1.00 0.00 SOLV H ATOM 5355 OH2 TIP3 1109 32.992 28.420 16.975 1.00 0.00 SOLV O ATOM 5356 H1 TIP3 1109 32.823 29.351 16.789 1.00 0.00 SOLV H ATOM 5357 H2 TIP3 1109 33.965 28.377 16.829 1.00 0.00 SOLV H ATOM 5358 OH2 TIP3 1110 22.875 25.384 17.589 1.00 0.00 SOLV O ATOM 5359 H1 TIP3 1110 22.604 24.462 17.769 1.00 0.00 SOLV H ATOM 5360 H2 TIP3 1110 23.822 25.281 17.425 1.00 0.00 SOLV H ATOM 5361 OH2 TIP3 1111 26.483 19.575 14.344 1.00 0.00 SOLV O ATOM 5362 H1 TIP3 1111 26.206 20.492 14.146 1.00 0.00 SOLV H ATOM 5363 H2 TIP3 1111 25.789 19.056 13.887 1.00 0.00 SOLV H ATOM 5364 OH2 TIP3 1112 27.822 23.772 17.815 1.00 0.00 SOLV O ATOM 5365 H1 TIP3 1112 27.513 23.660 18.725 1.00 0.00 SOLV H ATOM 5366 H2 TIP3 1112 26.985 23.762 17.295 1.00 0.00 SOLV H ATOM 5367 OH2 TIP3 1113 30.445 23.231 16.889 1.00 0.00 SOLV O ATOM 5368 H1 TIP3 1113 29.551 23.176 17.279 1.00 0.00 SOLV H ATOM 5369 H2 TIP3 1113 30.954 22.619 17.467 1.00 0.00 SOLV H ATOM 5370 OH2 TIP3 1114 31.946 21.799 18.630 1.00 0.00 SOLV O ATOM 5371 H1 TIP3 1114 32.017 20.824 18.547 1.00 0.00 SOLV H ATOM 5372 H2 TIP3 1114 31.877 21.921 19.597 1.00 0.00 SOLV H ATOM 5373 OH2 TIP3 1115 21.833 22.766 18.059 1.00 0.00 SOLV O ATOM 5374 H1 TIP3 1115 21.821 21.934 17.546 1.00 0.00 SOLV H ATOM 5375 H2 TIP3 1115 22.012 22.415 18.956 1.00 0.00 SOLV H ATOM 5376 OH2 TIP3 1116 26.661 18.942 17.000 1.00 0.00 SOLV O ATOM 5377 H1 TIP3 1116 27.228 18.149 16.891 1.00 0.00 SOLV H ATOM 5378 H2 TIP3 1116 26.543 19.190 16.058 1.00 0.00 SOLV H ATOM 5379 OH2 TIP3 1117 27.037 20.694 19.024 1.00 0.00 SOLV O ATOM 5380 H1 TIP3 1117 27.073 19.990 18.337 1.00 0.00 SOLV H ATOM 5381 H2 TIP3 1117 26.376 21.273 18.631 1.00 0.00 SOLV H ATOM 5382 OH2 TIP3 1118 26.477 37.587 2.120 1.00 0.00 SOLV O ATOM 5383 H1 TIP3 1118 27.451 37.442 2.091 1.00 0.00 SOLV H ATOM 5384 H2 TIP3 1118 26.389 38.347 1.535 1.00 0.00 SOLV H ATOM 5385 OH2 TIP3 1119 20.258 32.399 1.658 1.00 0.00 SOLV O ATOM 5386 H1 TIP3 1119 21.241 32.404 1.670 1.00 0.00 SOLV H ATOM 5387 H2 TIP3 1119 20.051 31.669 1.055 1.00 0.00 SOLV H ATOM 5388 OH2 TIP3 1120 19.234 37.426 6.759 1.00 0.00 SOLV O ATOM 5389 H1 TIP3 1120 18.607 37.098 6.074 1.00 0.00 SOLV H ATOM 5390 H2 TIP3 1120 19.329 36.622 7.307 1.00 0.00 SOLV H ATOM 5391 OH2 TIP3 1121 19.961 35.270 8.365 1.00 0.00 SOLV O ATOM 5392 H1 TIP3 1121 19.518 34.497 8.770 1.00 0.00 SOLV H ATOM 5393 H2 TIP3 1121 20.284 35.694 9.188 1.00 0.00 SOLV H ATOM 5394 OH2 TIP3 1122 37.295 36.243 11.633 1.00 0.00 SOLV O ATOM 5395 H1 TIP3 1122 37.368 36.486 12.573 1.00 0.00 SOLV H ATOM 5396 H2 TIP3 1122 38.140 36.572 11.282 1.00 0.00 SOLV H ATOM 5397 OH2 TIP3 1123 36.768 35.880 14.431 1.00 0.00 SOLV O ATOM 5398 H1 TIP3 1123 36.409 35.032 14.136 1.00 0.00 SOLV H ATOM 5399 H2 TIP3 1123 37.391 35.582 15.115 1.00 0.00 SOLV H ATOM 5400 OH2 TIP3 1124 35.314 31.746 18.918 1.00 0.00 SOLV O ATOM 5401 H1 TIP3 1124 34.468 31.868 19.399 1.00 0.00 SOLV H ATOM 5402 H2 TIP3 1124 35.878 32.400 19.379 1.00 0.00 SOLV H ATOM 5403 OH2 TIP3 1125 36.581 29.856 4.470 1.00 0.00 SOLV O ATOM 5404 H1 TIP3 1125 37.344 30.481 4.473 1.00 0.00 SOLV H ATOM 5405 H2 TIP3 1125 36.792 29.306 5.254 1.00 0.00 SOLV H ATOM 5406 OH2 TIP3 1126 37.177 27.948 6.416 1.00 0.00 SOLV O ATOM 5407 H1 TIP3 1126 36.292 27.602 6.673 1.00 0.00 SOLV H ATOM 5408 H2 TIP3 1126 37.607 28.086 7.285 1.00 0.00 SOLV H ATOM 5409 OH2 TIP3 1127 36.804 30.886 11.398 1.00 0.00 SOLV O ATOM 5410 H1 TIP3 1127 37.355 30.115 11.137 1.00 0.00 SOLV H ATOM 5411 H2 TIP3 1127 37.370 31.616 11.076 1.00 0.00 SOLV H ATOM 5412 OH2 TIP3 1128 34.957 33.462 13.647 1.00 0.00 SOLV O ATOM 5413 H1 TIP3 1128 34.488 33.899 14.384 1.00 0.00 SOLV H ATOM 5414 H2 TIP3 1128 34.745 34.073 12.918 1.00 0.00 SOLV H ATOM 5415 OH2 TIP3 1129 37.506 27.915 2.736 1.00 0.00 SOLV O ATOM 5416 H1 TIP3 1129 37.006 28.182 1.938 1.00 0.00 SOLV H ATOM 5417 H2 TIP3 1129 37.187 28.607 3.355 1.00 0.00 SOLV H ATOM 5418 OH2 TIP3 1130 35.691 25.243 1.349 1.00 0.00 SOLV O ATOM 5419 H1 TIP3 1130 35.343 25.799 0.645 1.00 0.00 SOLV H ATOM 5420 H2 TIP3 1130 35.319 24.367 1.110 1.00 0.00 SOLV H ATOM 5421 OH2 TIP3 1131 34.723 26.768 6.840 1.00 0.00 SOLV O ATOM 5422 H1 TIP3 1131 34.661 25.834 6.582 1.00 0.00 SOLV H ATOM 5423 H2 TIP3 1131 34.330 26.736 7.749 1.00 0.00 SOLV H ATOM 5424 OH2 TIP3 1132 19.636 28.672 11.018 1.00 0.00 SOLV O ATOM 5425 H1 TIP3 1132 19.777 28.461 10.069 1.00 0.00 SOLV H ATOM 5426 H2 TIP3 1132 20.517 28.426 11.386 1.00 0.00 SOLV H ATOM 5427 OH2 TIP3 1133 35.698 28.709 16.597 1.00 0.00 SOLV O ATOM 5428 H1 TIP3 1133 36.201 27.863 16.681 1.00 0.00 SOLV H ATOM 5429 H2 TIP3 1133 36.421 29.339 16.450 1.00 0.00 SOLV H ATOM 5430 OH2 TIP3 1134 36.952 26.397 17.206 1.00 0.00 SOLV O ATOM 5431 H1 TIP3 1134 36.105 25.932 17.040 1.00 0.00 SOLV H ATOM 5432 H2 TIP3 1134 37.553 25.779 16.752 1.00 0.00 SOLV H ATOM 5433 OH2 TIP3 1135 34.665 22.884 0.462 1.00 0.00 SOLV O ATOM 5434 H1 TIP3 1135 35.152 22.234 1.008 1.00 0.00 SOLV H ATOM 5435 H2 TIP3 1135 33.741 22.683 0.701 1.00 0.00 SOLV H ATOM 5436 OH2 TIP3 1136 34.610 24.252 5.235 1.00 0.00 SOLV O ATOM 5437 H1 TIP3 1136 34.826 23.289 5.266 1.00 0.00 SOLV H ATOM 5438 H2 TIP3 1136 35.420 24.591 4.819 1.00 0.00 SOLV H ATOM 5439 OH2 TIP3 1137 34.991 24.514 10.526 1.00 0.00 SOLV O ATOM 5440 H1 TIP3 1137 35.960 24.673 10.451 1.00 0.00 SOLV H ATOM 5441 H2 TIP3 1137 34.853 24.838 11.448 1.00 0.00 SOLV H ATOM 5442 OH2 TIP3 1138 34.807 25.670 12.971 1.00 0.00 SOLV O ATOM 5443 H1 TIP3 1138 34.211 25.937 13.683 1.00 0.00 SOLV H ATOM 5444 H2 TIP3 1138 35.674 25.599 13.425 1.00 0.00 SOLV H ATOM 5445 OH2 TIP3 1139 19.491 23.864 17.118 1.00 0.00 SOLV O ATOM 5446 H1 TIP3 1139 20.390 23.623 17.427 1.00 0.00 SOLV H ATOM 5447 H2 TIP3 1139 19.048 22.996 17.195 1.00 0.00 SOLV H ATOM 5448 OH2 TIP3 1140 37.445 19.777 18.480 1.00 0.00 SOLV O ATOM 5449 H1 TIP3 1140 38.026 18.997 18.326 1.00 0.00 SOLV H ATOM 5450 H2 TIP3 1140 37.770 20.374 17.796 1.00 0.00 SOLV H ATOM 5451 OH2 TIP3 1141 35.191 21.573 5.327 1.00 0.00 SOLV O ATOM 5452 H1 TIP3 1141 35.367 21.168 6.203 1.00 0.00 SOLV H ATOM 5453 H2 TIP3 1141 34.503 20.957 4.988 1.00 0.00 SOLV H ATOM 5454 OH2 TIP3 1142 20.537 22.326 9.996 1.00 0.00 SOLV O ATOM 5455 H1 TIP3 1142 20.982 21.454 10.011 1.00 0.00 SOLV H ATOM 5456 H2 TIP3 1142 21.283 22.914 10.203 1.00 0.00 SOLV H ATOM 5457 OH2 TIP3 1143 18.769 25.198 10.782 1.00 0.00 SOLV O ATOM 5458 H1 TIP3 1143 19.476 25.216 10.108 1.00 0.00 SOLV H ATOM 5459 H2 TIP3 1143 19.128 25.782 11.457 1.00 0.00 SOLV H ATOM 5460 OH2 TIP3 1144 36.717 21.495 1.968 1.00 0.00 SOLV O ATOM 5461 H1 TIP3 1144 37.068 21.609 1.049 1.00 0.00 SOLV H ATOM 5462 H2 TIP3 1144 37.408 21.969 2.463 1.00 0.00 SOLV H ATOM 5463 OH2 TIP3 1145 19.386 21.454 4.937 1.00 0.00 SOLV O ATOM 5464 H1 TIP3 1145 18.415 21.440 4.985 1.00 0.00 SOLV H ATOM 5465 H2 TIP3 1145 19.550 22.183 4.306 1.00 0.00 SOLV H ATOM 5466 OH2 TIP3 1146 34.038 36.506 7.082 1.00 0.00 SOLV O ATOM 5467 H1 TIP3 1146 34.739 36.496 6.392 1.00 0.00 SOLV H ATOM 5468 H2 TIP3 1146 34.482 36.976 7.807 1.00 0.00 SOLV H ATOM 5469 OH2 TIP3 1147 19.355 20.207 13.360 1.00 0.00 SOLV O ATOM 5470 H1 TIP3 1147 18.594 20.070 13.945 1.00 0.00 SOLV H ATOM 5471 H2 TIP3 1147 18.956 20.775 12.671 1.00 0.00 SOLV H ATOM 5472 OH2 TIP3 1148 21.415 33.705 17.556 1.00 0.00 SOLV O ATOM 5473 H1 TIP3 1148 20.645 33.783 16.963 1.00 0.00 SOLV H ATOM 5474 H2 TIP3 1148 21.015 33.250 18.305 1.00 0.00 SOLV H ATOM 5475 OH2 TIP3 1149 24.535 34.655 13.853 1.00 0.00 SOLV O ATOM 5476 H1 TIP3 1149 24.268 35.547 13.542 1.00 0.00 SOLV H ATOM 5477 H2 TIP3 1149 25.480 34.701 13.597 1.00 0.00 SOLV H ATOM 5478 OH2 TIP3 1150 28.574 35.772 16.612 1.00 0.00 SOLV O ATOM 5479 H1 TIP3 1150 28.743 35.511 17.543 1.00 0.00 SOLV H ATOM 5480 H2 TIP3 1150 29.408 36.247 16.405 1.00 0.00 SOLV H ATOM 5481 OH2 TIP3 1151 30.910 37.194 16.222 1.00 0.00 SOLV O ATOM 5482 H1 TIP3 1151 31.581 36.684 15.746 1.00 0.00 SOLV H ATOM 5483 H2 TIP3 1151 31.405 37.446 17.028 1.00 0.00 SOLV H ATOM 5484 OH2 TIP3 1152 35.855 19.485 15.079 1.00 0.00 SOLV O ATOM 5485 H1 TIP3 1152 35.281 19.825 14.375 1.00 0.00 SOLV H ATOM 5486 H2 TIP3 1152 36.122 18.606 14.734 1.00 0.00 SOLV H ATOM 5487 OH2 TIP3 1153 21.608 37.597 13.870 1.00 0.00 SOLV O ATOM 5488 H1 TIP3 1153 20.816 38.047 13.498 1.00 0.00 SOLV H ATOM 5489 H2 TIP3 1153 21.676 38.054 14.723 1.00 0.00 SOLV H ATOM 5490 OH2 TIP3 1154 24.220 37.244 13.041 1.00 0.00 SOLV O ATOM 5491 H1 TIP3 1154 23.274 37.425 13.239 1.00 0.00 SOLV H ATOM 5492 H2 TIP3 1154 24.347 37.758 12.218 1.00 0.00 SOLV H ATOM 5493 OH2 TIP3 1155 28.828 37.031 12.140 1.00 0.00 SOLV O ATOM 5494 H1 TIP3 1155 28.373 37.464 11.396 1.00 0.00 SOLV H ATOM 5495 H2 TIP3 1155 28.949 37.776 12.767 1.00 0.00 SOLV H ATOM 5496 OH2 TIP3 1156 31.195 35.838 13.065 1.00 0.00 SOLV O ATOM 5497 H1 TIP3 1156 30.395 36.281 12.724 1.00 0.00 SOLV H ATOM 5498 H2 TIP3 1156 31.883 36.511 12.921 1.00 0.00 SOLV H ATOM 5499 OH2 TIP3 1157 33.526 37.389 13.063 1.00 0.00 SOLV O ATOM 5500 H1 TIP3 1157 33.674 38.336 12.854 1.00 0.00 SOLV H ATOM 5501 H2 TIP3 1157 34.002 36.950 12.329 1.00 0.00 SOLV H ATOM 5502 OH2 TIP3 1158 21.275 36.252 10.619 1.00 0.00 SOLV O ATOM 5503 H1 TIP3 1158 21.159 35.716 11.432 1.00 0.00 SOLV H ATOM 5504 H2 TIP3 1158 22.080 35.816 10.259 1.00 0.00 SOLV H ATOM 5505 OH2 TIP3 1159 23.377 34.951 9.485 1.00 0.00 SOLV O ATOM 5506 H1 TIP3 1159 23.221 34.024 9.798 1.00 0.00 SOLV H ATOM 5507 H2 TIP3 1159 24.286 35.097 9.826 1.00 0.00 SOLV H ATOM 5508 OH2 TIP3 1160 25.951 35.221 10.491 1.00 0.00 SOLV O ATOM 5509 H1 TIP3 1160 26.073 34.268 10.287 1.00 0.00 SOLV H ATOM 5510 H2 TIP3 1160 26.288 35.222 11.410 1.00 0.00 SOLV H ATOM 5511 OH2 TIP3 1161 29.191 21.056 9.178 1.00 0.00 SOLV O ATOM 5512 H1 TIP3 1161 28.668 20.301 9.500 1.00 0.00 SOLV H ATOM 5513 H2 TIP3 1161 30.051 20.636 8.956 1.00 0.00 SOLV H ATOM 5514 OH2 TIP3 1162 34.369 19.144 9.312 1.00 0.00 SOLV O ATOM 5515 H1 TIP3 1162 34.989 19.760 8.862 1.00 0.00 SOLV H ATOM 5516 H2 TIP3 1162 33.531 19.632 9.252 1.00 0.00 SOLV H ATOM 5517 OH2 TIP3 1163 36.123 20.451 7.654 1.00 0.00 SOLV O ATOM 5518 H1 TIP3 1163 36.862 19.855 7.408 1.00 0.00 SOLV H ATOM 5519 H2 TIP3 1163 36.603 21.291 7.819 1.00 0.00 SOLV H ATOM 5520 OH2 TIP3 1164 21.703 19.672 7.049 1.00 0.00 SOLV O ATOM 5521 H1 TIP3 1164 20.764 19.510 6.803 1.00 0.00 SOLV H ATOM 5522 H2 TIP3 1164 22.067 18.769 6.918 1.00 0.00 SOLV H ATOM 5523 OH2 TIP3 1165 20.418 19.514 3.066 1.00 0.00 SOLV O ATOM 5524 H1 TIP3 1165 21.097 20.071 2.619 1.00 0.00 SOLV H ATOM 5525 H2 TIP3 1165 20.118 20.128 3.767 1.00 0.00 SOLV H ATOM 5526 OH2 TIP3 1166 26.363 19.410 7.115 1.00 0.00 SOLV O ATOM 5527 H1 TIP3 1166 27.123 19.838 6.686 1.00 0.00 SOLV H ATOM 5528 H2 TIP3 1166 26.599 19.464 8.055 1.00 0.00 SOLV H ATOM 5529 OH2 TIP3 1167 31.605 19.824 8.530 1.00 0.00 SOLV O ATOM 5530 H1 TIP3 1167 31.982 19.518 7.694 1.00 0.00 SOLV H ATOM 5531 H2 TIP3 1167 31.318 18.971 8.932 1.00 0.00 SOLV H ATOM 5532 OH2 TIP3 1168 33.200 19.879 4.392 1.00 0.00 SOLV O ATOM 5533 H1 TIP3 1168 32.349 20.342 4.331 1.00 0.00 SOLV H ATOM 5534 H2 TIP3 1168 32.885 18.972 4.604 1.00 0.00 SOLV H ATOM 5535 OH2 TIP3 1169 22.426 21.023 1.959 1.00 0.00 SOLV O ATOM 5536 H1 TIP3 1169 22.740 20.754 1.088 1.00 0.00 SOLV H ATOM 5537 H2 TIP3 1169 23.222 21.436 2.344 1.00 0.00 SOLV H ATOM 5538 OH2 TIP3 1170 27.370 21.910 3.909 1.00 0.00 SOLV O ATOM 5539 H1 TIP3 1170 27.692 21.224 4.524 1.00 0.00 SOLV H ATOM 5540 H2 TIP3 1170 27.598 22.709 4.433 1.00 0.00 SOLV H ATOM 5541 OH2 TIP3 1171 29.139 37.088 1.934 1.00 0.00 SOLV O ATOM 5542 H1 TIP3 1171 30.122 37.124 2.034 1.00 0.00 SOLV H ATOM 5543 H2 TIP3 1171 29.092 36.192 1.530 1.00 0.00 SOLV H ATOM 5544 OH2 TIP3 1172 35.966 36.345 5.124 1.00 0.00 SOLV O ATOM 5545 H1 TIP3 1172 35.782 35.444 4.764 1.00 0.00 SOLV H ATOM 5546 H2 TIP3 1172 35.826 36.892 4.323 1.00 0.00 SOLV H ATOM 5547 OH2 TIP3 1173 21.645 20.292 16.659 1.00 0.00 SOLV O ATOM 5548 H1 TIP3 1173 21.070 19.547 16.921 1.00 0.00 SOLV H ATOM 5549 H2 TIP3 1173 22.474 20.047 17.122 1.00 0.00 SOLV H ATOM 5550 OH2 TIP3 1174 23.777 19.577 18.314 1.00 0.00 SOLV O ATOM 5551 H1 TIP3 1174 24.647 19.217 18.065 1.00 0.00 SOLV H ATOM 5552 H2 TIP3 1174 23.364 18.798 18.740 1.00 0.00 SOLV H ATOM 5553 OH2 TIP3 1175 32.311 19.068 18.430 1.00 0.00 SOLV O ATOM 5554 H1 TIP3 1175 32.221 18.551 19.259 1.00 0.00 SOLV H ATOM 5555 H2 TIP3 1175 33.268 18.949 18.231 1.00 0.00 SOLV H ATOM 5556 OH2 TIP3 1176 35.165 35.120 17.080 1.00 0.00 SOLV O ATOM 5557 H1 TIP3 1176 34.515 35.170 16.348 1.00 0.00 SOLV H ATOM 5558 H2 TIP3 1176 35.169 36.057 17.363 1.00 0.00 SOLV H ATOM 5559 OH2 TIP3 1177 49.741 28.964 6.955 1.00 0.00 SOLV O ATOM 5560 H1 TIP3 1177 49.561 29.926 6.874 1.00 0.00 SOLV H ATOM 5561 H2 TIP3 1177 49.065 28.620 6.345 1.00 0.00 SOLV H ATOM 5562 OH2 TIP3 1178 48.644 28.240 10.769 1.00 0.00 SOLV O ATOM 5563 H1 TIP3 1178 48.795 27.768 11.611 1.00 0.00 SOLV H ATOM 5564 H2 TIP3 1178 48.255 27.536 10.223 1.00 0.00 SOLV H ATOM 5565 OH2 TIP3 1179 40.705 27.758 12.222 1.00 0.00 SOLV O ATOM 5566 H1 TIP3 1179 40.683 26.890 12.672 1.00 0.00 SOLV H ATOM 5567 H2 TIP3 1179 41.500 28.138 12.620 1.00 0.00 SOLV H ATOM 5568 OH2 TIP3 1180 52.342 31.271 8.981 1.00 0.00 SOLV O ATOM 5569 H1 TIP3 1180 51.901 30.533 9.425 1.00 0.00 SOLV H ATOM 5570 H2 TIP3 1180 52.602 31.840 9.725 1.00 0.00 SOLV H ATOM 5571 OH2 TIP3 1181 41.948 32.344 10.372 1.00 0.00 SOLV O ATOM 5572 H1 TIP3 1181 41.730 31.417 10.148 1.00 0.00 SOLV H ATOM 5573 H2 TIP3 1181 42.910 32.272 10.529 1.00 0.00 SOLV H ATOM 5574 OH2 TIP3 1182 39.002 25.973 5.366 1.00 0.00 SOLV O ATOM 5575 H1 TIP3 1182 38.559 26.635 5.941 1.00 0.00 SOLV H ATOM 5576 H2 TIP3 1182 38.196 25.554 4.995 1.00 0.00 SOLV H ATOM 5577 OH2 TIP3 1183 39.041 28.020 8.491 1.00 0.00 SOLV O ATOM 5578 H1 TIP3 1183 39.356 27.107 8.682 1.00 0.00 SOLV H ATOM 5579 H2 TIP3 1183 39.867 28.527 8.522 1.00 0.00 SOLV H ATOM 5580 OH2 TIP3 1184 49.652 36.344 9.421 1.00 0.00 SOLV O ATOM 5581 H1 TIP3 1184 50.037 35.741 8.753 1.00 0.00 SOLV H ATOM 5582 H2 TIP3 1184 49.169 35.726 9.981 1.00 0.00 SOLV H ATOM 5583 OH2 TIP3 1185 46.938 30.681 11.113 1.00 0.00 SOLV O ATOM 5584 H1 TIP3 1185 47.381 29.904 10.725 1.00 0.00 SOLV H ATOM 5585 H2 TIP3 1185 47.684 31.000 11.665 1.00 0.00 SOLV H ATOM 5586 OH2 TIP3 1186 55.771 22.127 11.861 1.00 0.00 SOLV O ATOM 5587 H1 TIP3 1186 56.073 22.845 12.447 1.00 0.00 SOLV H ATOM 5588 H2 TIP3 1186 56.328 22.285 11.074 1.00 0.00 SOLV H ATOM 5589 OH2 TIP3 1187 50.109 24.984 11.138 1.00 0.00 SOLV O ATOM 5590 H1 TIP3 1187 50.405 24.061 11.260 1.00 0.00 SOLV H ATOM 5591 H2 TIP3 1187 50.022 25.024 10.165 1.00 0.00 SOLV H ATOM 5592 OH2 TIP3 1188 43.496 23.133 8.502 1.00 0.00 SOLV O ATOM 5593 H1 TIP3 1188 43.597 23.977 8.021 1.00 0.00 SOLV H ATOM 5594 H2 TIP3 1188 43.031 22.591 7.833 1.00 0.00 SOLV H ATOM 5595 OH2 TIP3 1189 51.277 23.388 6.736 1.00 0.00 SOLV O ATOM 5596 H1 TIP3 1189 51.740 23.008 7.519 1.00 0.00 SOLV H ATOM 5597 H2 TIP3 1189 52.048 23.709 6.231 1.00 0.00 SOLV H ATOM 5598 OH2 TIP3 1190 40.016 25.536 9.102 1.00 0.00 SOLV O ATOM 5599 H1 TIP3 1190 40.595 25.088 9.751 1.00 0.00 SOLV H ATOM 5600 H2 TIP3 1190 40.295 25.070 8.288 1.00 0.00 SOLV H ATOM 5601 OH2 TIP3 1191 44.963 26.924 8.846 1.00 0.00 SOLV O ATOM 5602 H1 TIP3 1191 45.819 26.517 9.114 1.00 0.00 SOLV H ATOM 5603 H2 TIP3 1191 44.608 26.251 8.231 1.00 0.00 SOLV H ATOM 5604 OH2 TIP3 1192 56.276 23.728 14.163 1.00 0.00 SOLV O ATOM 5605 H1 TIP3 1192 55.580 24.345 13.853 1.00 0.00 SOLV H ATOM 5606 H2 TIP3 1192 56.166 23.801 15.121 1.00 0.00 SOLV H ATOM 5607 OH2 TIP3 1193 42.153 22.085 12.617 1.00 0.00 SOLV O ATOM 5608 H1 TIP3 1193 41.817 22.706 11.945 1.00 0.00 SOLV H ATOM 5609 H2 TIP3 1193 41.460 22.187 13.307 1.00 0.00 SOLV H ATOM 5610 OH2 TIP3 1194 49.025 31.466 6.020 1.00 0.00 SOLV O ATOM 5611 H1 TIP3 1194 49.298 31.783 5.148 1.00 0.00 SOLV H ATOM 5612 H2 TIP3 1194 48.708 32.305 6.419 1.00 0.00 SOLV H ATOM 5613 OH2 TIP3 1195 44.851 29.795 12.605 1.00 0.00 SOLV O ATOM 5614 H1 TIP3 1195 44.326 30.539 12.975 1.00 0.00 SOLV H ATOM 5615 H2 TIP3 1195 45.550 30.269 12.104 1.00 0.00 SOLV H ATOM 5616 OH2 TIP3 1196 52.608 22.794 9.011 1.00 0.00 SOLV O ATOM 5617 H1 TIP3 1196 52.421 22.083 9.633 1.00 0.00 SOLV H ATOM 5618 H2 TIP3 1196 53.184 23.377 9.546 1.00 0.00 SOLV H ATOM 5619 OH2 TIP3 1197 41.769 23.884 10.516 1.00 0.00 SOLV O ATOM 5620 H1 TIP3 1197 42.371 24.413 11.086 1.00 0.00 SOLV H ATOM 5621 H2 TIP3 1197 42.414 23.538 9.859 1.00 0.00 SOLV H ATOM 5622 OH2 TIP3 1198 43.266 31.835 13.701 1.00 0.00 SOLV O ATOM 5623 H1 TIP3 1198 43.230 32.805 13.562 1.00 0.00 SOLV H ATOM 5624 H2 TIP3 1198 42.336 31.671 13.960 1.00 0.00 SOLV H ATOM 5625 OH2 TIP3 1199 38.825 31.403 4.410 1.00 0.00 SOLV O ATOM 5626 H1 TIP3 1199 38.949 31.773 3.513 1.00 0.00 SOLV H ATOM 5627 H2 TIP3 1199 39.297 32.068 4.949 1.00 0.00 SOLV H ATOM 5628 OH2 TIP3 1200 52.823 33.226 11.204 1.00 0.00 SOLV O ATOM 5629 H1 TIP3 1200 51.846 33.239 11.331 1.00 0.00 SOLV H ATOM 5630 H2 TIP3 1200 52.988 34.156 10.948 1.00 0.00 SOLV H ATOM 5631 OH2 TIP3 1201 53.187 21.299 12.766 1.00 0.00 SOLV O ATOM 5632 H1 TIP3 1201 52.485 21.740 12.256 1.00 0.00 SOLV H ATOM 5633 H2 TIP3 1201 54.000 21.600 12.308 1.00 0.00 SOLV H ATOM 5634 OH2 TIP3 1202 45.828 19.156 10.019 1.00 0.00 SOLV O ATOM 5635 H1 TIP3 1202 45.491 18.237 10.017 1.00 0.00 SOLV H ATOM 5636 H2 TIP3 1202 45.055 19.625 10.404 1.00 0.00 SOLV H ATOM 5637 OH2 TIP3 1203 50.889 34.852 7.366 1.00 0.00 SOLV O ATOM 5638 H1 TIP3 1203 51.276 33.973 7.132 1.00 0.00 SOLV H ATOM 5639 H2 TIP3 1203 51.717 35.389 7.398 1.00 0.00 SOLV H ATOM 5640 OH2 TIP3 1204 52.084 32.538 6.512 1.00 0.00 SOLV O ATOM 5641 H1 TIP3 1204 52.313 31.899 5.815 1.00 0.00 SOLV H ATOM 5642 H2 TIP3 1204 52.217 32.008 7.327 1.00 0.00 SOLV H ATOM 5643 OH2 TIP3 1205 53.918 31.160 14.771 1.00 0.00 SOLV O ATOM 5644 H1 TIP3 1205 53.835 30.586 13.977 1.00 0.00 SOLV H ATOM 5645 H2 TIP3 1205 53.992 32.046 14.355 1.00 0.00 SOLV H ATOM 5646 OH2 TIP3 1206 48.321 28.118 4.718 1.00 0.00 SOLV O ATOM 5647 H1 TIP3 1206 47.802 28.911 4.478 1.00 0.00 SOLV H ATOM 5648 H2 TIP3 1206 49.003 28.103 4.017 1.00 0.00 SOLV H ATOM 5649 OH2 TIP3 1207 48.402 26.511 1.279 1.00 0.00 SOLV O ATOM 5650 H1 TIP3 1207 49.085 26.888 1.862 1.00 0.00 SOLV H ATOM 5651 H2 TIP3 1207 48.939 25.961 0.677 1.00 0.00 SOLV H ATOM 5652 OH2 TIP3 1208 55.671 27.721 13.015 1.00 0.00 SOLV O ATOM 5653 H1 TIP3 1208 54.930 28.353 12.894 1.00 0.00 SOLV H ATOM 5654 H2 TIP3 1208 56.253 27.999 12.272 1.00 0.00 SOLV H ATOM 5655 OH2 TIP3 1209 51.883 28.350 5.365 1.00 0.00 SOLV O ATOM 5656 H1 TIP3 1209 51.207 28.544 6.056 1.00 0.00 SOLV H ATOM 5657 H2 TIP3 1209 52.550 27.870 5.902 1.00 0.00 SOLV H ATOM 5658 OH2 TIP3 1210 51.613 26.471 14.721 1.00 0.00 SOLV O ATOM 5659 H1 TIP3 1210 51.568 27.252 15.297 1.00 0.00 SOLV H ATOM 5660 H2 TIP3 1210 50.916 26.693 14.068 1.00 0.00 SOLV H ATOM 5661 OH2 TIP3 1211 43.570 28.967 7.775 1.00 0.00 SOLV O ATOM 5662 H1 TIP3 1211 43.382 28.476 6.970 1.00 0.00 SOLV H ATOM 5663 H2 TIP3 1211 44.128 28.315 8.258 1.00 0.00 SOLV H ATOM 5664 OH2 TIP3 1212 44.797 32.360 10.148 1.00 0.00 SOLV O ATOM 5665 H1 TIP3 1212 44.906 32.417 9.184 1.00 0.00 SOLV H ATOM 5666 H2 TIP3 1212 45.550 31.790 10.410 1.00 0.00 SOLV H ATOM 5667 OH2 TIP3 1213 43.601 27.857 11.101 1.00 0.00 SOLV O ATOM 5668 H1 TIP3 1213 44.207 27.595 10.378 1.00 0.00 SOLV H ATOM 5669 H2 TIP3 1213 44.127 28.523 11.594 1.00 0.00 SOLV H ATOM 5670 OH2 TIP3 1214 50.191 33.362 11.819 1.00 0.00 SOLV O ATOM 5671 H1 TIP3 1214 50.024 34.010 12.524 1.00 0.00 SOLV H ATOM 5672 H2 TIP3 1214 49.767 32.550 12.165 1.00 0.00 SOLV H ATOM 5673 OH2 TIP3 1215 44.908 32.193 15.857 1.00 0.00 SOLV O ATOM 5674 H1 TIP3 1215 44.242 32.800 16.252 1.00 0.00 SOLV H ATOM 5675 H2 TIP3 1215 44.409 31.902 15.064 1.00 0.00 SOLV H ATOM 5676 OH2 TIP3 1216 50.513 27.655 3.070 1.00 0.00 SOLV O ATOM 5677 H1 TIP3 1216 51.049 27.990 3.826 1.00 0.00 SOLV H ATOM 5678 H2 TIP3 1216 51.058 27.996 2.317 1.00 0.00 SOLV H ATOM 5679 OH2 TIP3 1217 41.761 28.284 15.137 1.00 0.00 SOLV O ATOM 5680 H1 TIP3 1217 41.816 28.996 15.805 1.00 0.00 SOLV H ATOM 5681 H2 TIP3 1217 40.798 28.120 15.143 1.00 0.00 SOLV H ATOM 5682 OH2 TIP3 1218 48.389 34.053 6.674 1.00 0.00 SOLV O ATOM 5683 H1 TIP3 1218 49.275 34.361 6.955 1.00 0.00 SOLV H ATOM 5684 H2 TIP3 1218 48.051 34.825 6.198 1.00 0.00 SOLV H ATOM 5685 OH2 TIP3 1219 42.943 33.980 16.596 1.00 0.00 SOLV O ATOM 5686 H1 TIP3 1219 42.821 34.334 15.696 1.00 0.00 SOLV H ATOM 5687 H2 TIP3 1219 42.012 33.828 16.885 1.00 0.00 SOLV H ATOM 5688 OH2 TIP3 1220 54.231 18.910 3.008 1.00 0.00 SOLV O ATOM 5689 H1 TIP3 1220 53.626 19.654 3.144 1.00 0.00 SOLV H ATOM 5690 H2 TIP3 1220 54.999 19.285 2.544 1.00 0.00 SOLV H ATOM 5691 OH2 TIP3 1221 55.570 33.804 1.621 1.00 0.00 SOLV O ATOM 5692 H1 TIP3 1221 55.951 34.690 1.507 1.00 0.00 SOLV H ATOM 5693 H2 TIP3 1221 56.361 33.232 1.578 1.00 0.00 SOLV H ATOM 5694 OH2 TIP3 1222 38.360 30.322 14.005 1.00 0.00 SOLV O ATOM 5695 H1 TIP3 1222 38.496 30.191 13.053 1.00 0.00 SOLV H ATOM 5696 H2 TIP3 1222 38.590 29.424 14.345 1.00 0.00 SOLV H ATOM 5697 OH2 TIP3 1223 38.266 33.121 10.868 1.00 0.00 SOLV O ATOM 5698 H1 TIP3 1223 39.206 32.918 10.744 1.00 0.00 SOLV H ATOM 5699 H2 TIP3 1223 38.319 33.858 11.499 1.00 0.00 SOLV H ATOM 5700 OH2 TIP3 1224 56.515 34.058 16.657 1.00 0.00 SOLV O ATOM 5701 H1 TIP3 1224 56.354 33.100 16.541 1.00 0.00 SOLV H ATOM 5702 H2 TIP3 1224 55.610 34.362 16.889 1.00 0.00 SOLV H ATOM 5703 OH2 TIP3 1225 47.335 33.312 15.273 1.00 0.00 SOLV O ATOM 5704 H1 TIP3 1225 47.318 34.196 15.703 1.00 0.00 SOLV H ATOM 5705 H2 TIP3 1225 46.443 32.974 15.509 1.00 0.00 SOLV H ATOM 5706 OH2 TIP3 1226 48.121 37.017 5.170 1.00 0.00 SOLV O ATOM 5707 H1 TIP3 1226 47.757 37.322 4.325 1.00 0.00 SOLV H ATOM 5708 H2 TIP3 1226 47.942 37.787 5.747 1.00 0.00 SOLV H ATOM 5709 OH2 TIP3 1227 41.509 35.929 7.084 1.00 0.00 SOLV O ATOM 5710 H1 TIP3 1227 41.708 35.630 7.996 1.00 0.00 SOLV H ATOM 5711 H2 TIP3 1227 40.883 35.251 6.784 1.00 0.00 SOLV H ATOM 5712 OH2 TIP3 1228 50.636 36.466 2.146 1.00 0.00 SOLV O ATOM 5713 H1 TIP3 1228 51.244 35.850 1.684 1.00 0.00 SOLV H ATOM 5714 H2 TIP3 1228 50.845 36.279 3.081 1.00 0.00 SOLV H ATOM 5715 OH2 TIP3 1229 50.712 36.272 4.895 1.00 0.00 SOLV O ATOM 5716 H1 TIP3 1229 49.754 36.462 5.012 1.00 0.00 SOLV H ATOM 5717 H2 TIP3 1229 50.886 35.714 5.674 1.00 0.00 SOLV H ATOM 5718 OH2 TIP3 1230 53.400 25.278 16.864 1.00 0.00 SOLV O ATOM 5719 H1 TIP3 1230 52.807 25.600 16.165 1.00 0.00 SOLV H ATOM 5720 H2 TIP3 1230 53.506 24.339 16.603 1.00 0.00 SOLV H ATOM 5721 OH2 TIP3 1231 40.652 31.860 14.660 1.00 0.00 SOLV O ATOM 5722 H1 TIP3 1231 40.941 31.503 15.527 1.00 0.00 SOLV H ATOM 5723 H2 TIP3 1231 39.827 31.361 14.515 1.00 0.00 SOLV H ATOM 5724 OH2 TIP3 1232 43.389 20.198 10.983 1.00 0.00 SOLV O ATOM 5725 H1 TIP3 1232 42.605 20.127 10.399 1.00 0.00 SOLV H ATOM 5726 H2 TIP3 1232 43.062 20.887 11.600 1.00 0.00 SOLV H ATOM 5727 OH2 TIP3 1233 48.173 19.860 14.306 1.00 0.00 SOLV O ATOM 5728 H1 TIP3 1233 48.636 19.337 14.996 1.00 0.00 SOLV H ATOM 5729 H2 TIP3 1233 47.230 19.736 14.543 1.00 0.00 SOLV H ATOM 5730 OH2 TIP3 1234 51.161 23.712 15.109 1.00 0.00 SOLV O ATOM 5731 H1 TIP3 1234 50.453 23.664 15.791 1.00 0.00 SOLV H ATOM 5732 H2 TIP3 1234 51.160 24.658 14.870 1.00 0.00 SOLV H ATOM 5733 OH2 TIP3 1235 52.058 28.552 1.045 1.00 0.00 SOLV O ATOM 5734 H1 TIP3 1235 51.823 28.726 0.113 1.00 0.00 SOLV H ATOM 5735 H2 TIP3 1235 53.019 28.733 1.016 1.00 0.00 SOLV H ATOM 5736 OH2 TIP3 1236 47.712 22.531 1.716 1.00 0.00 SOLV O ATOM 5737 H1 TIP3 1236 47.195 22.234 2.492 1.00 0.00 SOLV H ATOM 5738 H2 TIP3 1236 47.217 22.156 0.983 1.00 0.00 SOLV H ATOM 5739 OH2 TIP3 1237 43.435 25.327 12.167 1.00 0.00 SOLV O ATOM 5740 H1 TIP3 1237 42.755 25.395 12.872 1.00 0.00 SOLV H ATOM 5741 H2 TIP3 1237 43.467 26.255 11.849 1.00 0.00 SOLV H ATOM 5742 OH2 TIP3 1238 43.471 25.423 6.973 1.00 0.00 SOLV O ATOM 5743 H1 TIP3 1238 42.514 25.207 6.924 1.00 0.00 SOLV H ATOM 5744 H2 TIP3 1238 43.765 25.125 6.086 1.00 0.00 SOLV H ATOM 5745 OH2 TIP3 1239 48.978 25.624 5.794 1.00 0.00 SOLV O ATOM 5746 H1 TIP3 1239 48.785 26.507 5.415 1.00 0.00 SOLV H ATOM 5747 H2 TIP3 1239 49.685 25.300 5.196 1.00 0.00 SOLV H ATOM 5748 OH2 TIP3 1240 48.092 25.928 17.088 1.00 0.00 SOLV O ATOM 5749 H1 TIP3 1240 47.563 25.181 17.452 1.00 0.00 SOLV H ATOM 5750 H2 TIP3 1240 48.962 25.710 17.457 1.00 0.00 SOLV H ATOM 5751 OH2 TIP3 1241 49.890 25.154 8.413 1.00 0.00 SOLV O ATOM 5752 H1 TIP3 1241 49.476 25.636 7.668 1.00 0.00 SOLV H ATOM 5753 H2 TIP3 1241 50.311 24.438 7.889 1.00 0.00 SOLV H ATOM 5754 OH2 TIP3 1242 41.179 25.404 13.745 1.00 0.00 SOLV O ATOM 5755 H1 TIP3 1242 41.381 25.695 14.644 1.00 0.00 SOLV H ATOM 5756 H2 TIP3 1242 40.689 24.575 13.927 1.00 0.00 SOLV H ATOM 5757 OH2 TIP3 1243 44.076 22.510 0.137 1.00 0.00 SOLV O ATOM 5758 H1 TIP3 1243 44.011 22.446 1.107 1.00 0.00 SOLV H ATOM 5759 H2 TIP3 1243 44.106 23.473 -0.002 1.00 0.00 SOLV H ATOM 5760 OH2 TIP3 1244 37.885 22.548 7.561 1.00 0.00 SOLV O ATOM 5761 H1 TIP3 1244 38.424 22.553 8.384 1.00 0.00 SOLV H ATOM 5762 H2 TIP3 1244 38.441 22.068 6.932 1.00 0.00 SOLV H ATOM 5763 OH2 TIP3 1245 38.597 23.268 3.104 1.00 0.00 SOLV O ATOM 5764 H1 TIP3 1245 39.426 23.517 2.681 1.00 0.00 SOLV H ATOM 5765 H2 TIP3 1245 38.099 24.108 3.180 1.00 0.00 SOLV H ATOM 5766 OH2 TIP3 1246 49.246 26.701 13.015 1.00 0.00 SOLV O ATOM 5767 H1 TIP3 1246 49.595 26.079 12.332 1.00 0.00 SOLV H ATOM 5768 H2 TIP3 1246 48.636 26.098 13.494 1.00 0.00 SOLV H ATOM 5769 OH2 TIP3 1247 46.313 22.912 8.001 1.00 0.00 SOLV O ATOM 5770 H1 TIP3 1247 45.435 22.867 8.423 1.00 0.00 SOLV H ATOM 5771 H2 TIP3 1247 46.864 22.366 8.599 1.00 0.00 SOLV H ATOM 5772 OH2 TIP3 1248 40.941 24.451 6.706 1.00 0.00 SOLV O ATOM 5773 H1 TIP3 1248 40.127 24.737 6.244 1.00 0.00 SOLV H ATOM 5774 H2 TIP3 1248 41.026 23.506 6.469 1.00 0.00 SOLV H ATOM 5775 OH2 TIP3 1249 44.351 24.546 4.531 1.00 0.00 SOLV O ATOM 5776 H1 TIP3 1249 45.221 24.323 4.944 1.00 0.00 SOLV H ATOM 5777 H2 TIP3 1249 44.647 25.059 3.770 1.00 0.00 SOLV H ATOM 5778 OH2 TIP3 1250 50.518 22.250 11.345 1.00 0.00 SOLV O ATOM 5779 H1 TIP3 1250 49.907 22.271 12.114 1.00 0.00 SOLV H ATOM 5780 H2 TIP3 1250 49.957 21.862 10.660 1.00 0.00 SOLV H ATOM 5781 OH2 TIP3 1251 42.808 26.025 2.441 1.00 0.00 SOLV O ATOM 5782 H1 TIP3 1251 42.967 25.140 2.079 1.00 0.00 SOLV H ATOM 5783 H2 TIP3 1251 43.551 26.494 2.014 1.00 0.00 SOLV H ATOM 5784 OH2 TIP3 1252 53.944 37.700 17.558 1.00 0.00 SOLV O ATOM 5785 H1 TIP3 1252 54.190 38.152 16.734 1.00 0.00 SOLV H ATOM 5786 H2 TIP3 1252 54.663 37.973 18.160 1.00 0.00 SOLV H ATOM 5787 OH2 TIP3 1253 41.535 30.451 16.974 1.00 0.00 SOLV O ATOM 5788 H1 TIP3 1253 42.204 30.466 17.692 1.00 0.00 SOLV H ATOM 5789 H2 TIP3 1253 40.723 30.382 17.514 1.00 0.00 SOLV H ATOM 5790 OH2 TIP3 1254 47.198 25.724 9.851 1.00 0.00 SOLV O ATOM 5791 H1 TIP3 1254 47.957 25.246 9.483 1.00 0.00 SOLV H ATOM 5792 H2 TIP3 1254 46.875 25.106 10.538 1.00 0.00 SOLV H ATOM 5793 OH2 TIP3 1255 42.133 21.813 6.424 1.00 0.00 SOLV O ATOM 5794 H1 TIP3 1255 41.469 21.128 6.675 1.00 0.00 SOLV H ATOM 5795 H2 TIP3 1255 42.790 21.246 6.000 1.00 0.00 SOLV H ATOM 5796 OH2 TIP3 1256 46.034 24.348 12.163 1.00 0.00 SOLV O ATOM 5797 H1 TIP3 1256 45.152 24.768 12.236 1.00 0.00 SOLV H ATOM 5798 H2 TIP3 1256 46.499 24.685 12.955 1.00 0.00 SOLV H ATOM 5799 OH2 TIP3 1257 46.556 30.215 3.991 1.00 0.00 SOLV O ATOM 5800 H1 TIP3 1257 45.781 29.868 3.507 1.00 0.00 SOLV H ATOM 5801 H2 TIP3 1257 46.144 30.437 4.862 1.00 0.00 SOLV H ATOM 5802 OH2 TIP3 1258 53.657 29.556 12.541 1.00 0.00 SOLV O ATOM 5803 H1 TIP3 1258 54.196 30.143 11.970 1.00 0.00 SOLV H ATOM 5804 H2 TIP3 1258 52.891 29.348 11.959 1.00 0.00 SOLV H ATOM 5805 OH2 TIP3 1259 50.432 22.782 2.222 1.00 0.00 SOLV O ATOM 5806 H1 TIP3 1259 49.483 22.795 1.974 1.00 0.00 SOLV H ATOM 5807 H2 TIP3 1259 50.568 23.664 2.612 1.00 0.00 SOLV H ATOM 5808 OH2 TIP3 1260 48.016 30.574 15.112 1.00 0.00 SOLV O ATOM 5809 H1 TIP3 1260 47.895 30.201 15.990 1.00 0.00 SOLV H ATOM 5810 H2 TIP3 1260 47.777 31.511 15.242 1.00 0.00 SOLV H ATOM 5811 OH2 TIP3 1261 51.003 24.970 3.943 1.00 0.00 SOLV O ATOM 5812 H1 TIP3 1261 51.897 24.814 4.309 1.00 0.00 SOLV H ATOM 5813 H2 TIP3 1261 51.075 25.877 3.591 1.00 0.00 SOLV H ATOM 5814 OH2 TIP3 1262 41.688 29.592 9.691 1.00 0.00 SOLV O ATOM 5815 H1 TIP3 1262 42.343 29.482 8.973 1.00 0.00 SOLV H ATOM 5816 H2 TIP3 1262 42.037 28.966 10.350 1.00 0.00 SOLV H ATOM 5817 OH2 TIP3 1263 48.707 31.672 3.113 1.00 0.00 SOLV O ATOM 5818 H1 TIP3 1263 48.305 32.562 3.262 1.00 0.00 SOLV H ATOM 5819 H2 TIP3 1263 47.990 31.108 3.479 1.00 0.00 SOLV H ATOM 5820 OH2 TIP3 1264 38.974 27.952 15.218 1.00 0.00 SOLV O ATOM 5821 H1 TIP3 1264 39.087 27.668 16.151 1.00 0.00 SOLV H ATOM 5822 H2 TIP3 1264 38.476 27.204 14.828 1.00 0.00 SOLV H ATOM 5823 OH2 TIP3 1265 45.934 27.697 17.112 1.00 0.00 SOLV O ATOM 5824 H1 TIP3 1265 45.265 27.240 16.572 1.00 0.00 SOLV H ATOM 5825 H2 TIP3 1265 46.731 27.154 16.937 1.00 0.00 SOLV H ATOM 5826 OH2 TIP3 1266 50.165 32.966 15.136 1.00 0.00 SOLV O ATOM 5827 H1 TIP3 1266 49.204 33.106 15.072 1.00 0.00 SOLV H ATOM 5828 H2 TIP3 1266 50.328 33.206 16.075 1.00 0.00 SOLV H ATOM 5829 OH2 TIP3 1267 55.854 25.461 3.716 1.00 0.00 SOLV O ATOM 5830 H1 TIP3 1267 55.363 25.270 2.882 1.00 0.00 SOLV H ATOM 5831 H2 TIP3 1267 56.009 26.418 3.558 1.00 0.00 SOLV H ATOM 5832 OH2 TIP3 1268 56.180 31.243 16.312 1.00 0.00 SOLV O ATOM 5833 H1 TIP3 1268 55.260 31.293 15.975 1.00 0.00 SOLV H ATOM 5834 H2 TIP3 1268 56.644 31.020 15.472 1.00 0.00 SOLV H ATOM 5835 OH2 TIP3 1269 54.390 33.945 4.082 1.00 0.00 SOLV O ATOM 5836 H1 TIP3 1269 53.762 33.226 4.223 1.00 0.00 SOLV H ATOM 5837 H2 TIP3 1269 54.702 33.779 3.167 1.00 0.00 SOLV H ATOM 5838 OH2 TIP3 1270 51.510 28.847 10.849 1.00 0.00 SOLV O ATOM 5839 H1 TIP3 1270 50.548 28.765 10.708 1.00 0.00 SOLV H ATOM 5840 H2 TIP3 1270 51.830 28.068 10.348 1.00 0.00 SOLV H ATOM 5841 OH2 TIP3 1271 44.265 33.217 7.200 1.00 0.00 SOLV O ATOM 5842 H1 TIP3 1271 44.501 34.108 6.874 1.00 0.00 SOLV H ATOM 5843 H2 TIP3 1271 43.307 33.231 7.095 1.00 0.00 SOLV H ATOM 5844 OH2 TIP3 1272 45.080 30.743 6.199 1.00 0.00 SOLV O ATOM 5845 H1 TIP3 1272 44.947 31.655 6.530 1.00 0.00 SOLV H ATOM 5846 H2 TIP3 1272 44.650 30.227 6.904 1.00 0.00 SOLV H ATOM 5847 OH2 TIP3 1273 45.986 34.992 12.976 1.00 0.00 SOLV O ATOM 5848 H1 TIP3 1273 46.608 35.727 12.779 1.00 0.00 SOLV H ATOM 5849 H2 TIP3 1273 46.561 34.397 13.481 1.00 0.00 SOLV H ATOM 5850 OH2 TIP3 1274 44.102 36.020 6.052 1.00 0.00 SOLV O ATOM 5851 H1 TIP3 1274 43.179 36.110 6.360 1.00 0.00 SOLV H ATOM 5852 H2 TIP3 1274 44.312 36.970 5.892 1.00 0.00 SOLV H ATOM 5853 OH2 TIP3 1275 49.189 30.892 12.675 1.00 0.00 SOLV O ATOM 5854 H1 TIP3 1275 48.828 30.697 13.570 1.00 0.00 SOLV H ATOM 5855 H2 TIP3 1275 49.855 30.198 12.579 1.00 0.00 SOLV H ATOM 5856 OH2 TIP3 1276 51.370 31.897 2.084 1.00 0.00 SOLV O ATOM 5857 H1 TIP3 1276 52.015 31.450 2.660 1.00 0.00 SOLV H ATOM 5858 H2 TIP3 1276 50.573 31.878 2.639 1.00 0.00 SOLV H ATOM 5859 OH2 TIP3 1277 52.197 35.351 14.938 1.00 0.00 SOLV O ATOM 5860 H1 TIP3 1277 51.363 34.997 14.567 1.00 0.00 SOLV H ATOM 5861 H2 TIP3 1277 52.328 36.143 14.371 1.00 0.00 SOLV H ATOM 5862 OH2 TIP3 1278 56.375 36.544 1.818 1.00 0.00 SOLV O ATOM 5863 H1 TIP3 1278 56.977 37.264 2.109 1.00 0.00 SOLV H ATOM 5864 H2 TIP3 1278 55.525 36.908 2.158 1.00 0.00 SOLV H ATOM 5865 OH2 TIP3 1279 40.204 22.786 14.466 1.00 0.00 SOLV O ATOM 5866 H1 TIP3 1279 39.323 23.209 14.586 1.00 0.00 SOLV H ATOM 5867 H2 TIP3 1279 40.182 22.110 15.161 1.00 0.00 SOLV H ATOM 5868 OH2 TIP3 1280 52.824 30.755 4.299 1.00 0.00 SOLV O ATOM 5869 H1 TIP3 1280 52.438 29.915 4.623 1.00 0.00 SOLV H ATOM 5870 H2 TIP3 1280 53.775 30.508 4.284 1.00 0.00 SOLV H ATOM 5871 OH2 TIP3 1281 39.931 34.527 12.875 1.00 0.00 SOLV O ATOM 5872 H1 TIP3 1281 40.328 33.732 13.273 1.00 0.00 SOLV H ATOM 5873 H2 TIP3 1281 40.190 35.211 13.511 1.00 0.00 SOLV H ATOM 5874 OH2 TIP3 1282 45.826 33.040 0.283 1.00 0.00 SOLV O ATOM 5875 H1 TIP3 1282 46.112 32.160 -0.009 1.00 0.00 SOLV H ATOM 5876 H2 TIP3 1282 45.399 32.869 1.147 1.00 0.00 SOLV H ATOM 5877 OH2 TIP3 1283 44.573 32.666 2.753 1.00 0.00 SOLV O ATOM 5878 H1 TIP3 1283 45.145 32.302 3.442 1.00 0.00 SOLV H ATOM 5879 H2 TIP3 1283 44.607 33.622 3.000 1.00 0.00 SOLV H ATOM 5880 OH2 TIP3 1284 49.071 22.402 13.702 1.00 0.00 SOLV O ATOM 5881 H1 TIP3 1284 49.875 22.503 14.242 1.00 0.00 SOLV H ATOM 5882 H2 TIP3 1284 48.741 21.516 13.969 1.00 0.00 SOLV H ATOM 5883 OH2 TIP3 1285 49.747 21.891 4.870 1.00 0.00 SOLV O ATOM 5884 H1 TIP3 1285 50.063 22.215 4.003 1.00 0.00 SOLV H ATOM 5885 H2 TIP3 1285 50.254 22.464 5.486 1.00 0.00 SOLV H ATOM 5886 OH2 TIP3 1286 47.441 34.023 3.399 1.00 0.00 SOLV O ATOM 5887 H1 TIP3 1286 46.625 34.495 3.658 1.00 0.00 SOLV H ATOM 5888 H2 TIP3 1286 47.769 34.597 2.692 1.00 0.00 SOLV H ATOM 5889 OH2 TIP3 1287 46.754 24.030 5.579 1.00 0.00 SOLV O ATOM 5890 H1 TIP3 1287 47.557 24.592 5.682 1.00 0.00 SOLV H ATOM 5891 H2 TIP3 1287 46.664 23.678 6.497 1.00 0.00 SOLV H ATOM 5892 OH2 TIP3 1288 47.739 24.884 14.380 1.00 0.00 SOLV O ATOM 5893 H1 TIP3 1288 47.802 25.058 15.338 1.00 0.00 SOLV H ATOM 5894 H2 TIP3 1288 48.074 23.968 14.303 1.00 0.00 SOLV H ATOM 5895 OH2 TIP3 1289 47.587 20.705 6.048 1.00 0.00 SOLV O ATOM 5896 H1 TIP3 1289 47.663 21.155 6.907 1.00 0.00 SOLV H ATOM 5897 H2 TIP3 1289 48.376 21.091 5.591 1.00 0.00 SOLV H ATOM 5898 OH2 TIP3 1290 44.965 35.213 3.583 1.00 0.00 SOLV O ATOM 5899 H1 TIP3 1290 44.940 36.036 3.044 1.00 0.00 SOLV H ATOM 5900 H2 TIP3 1290 44.659 35.547 4.457 1.00 0.00 SOLV H ATOM 5901 OH2 TIP3 1291 43.661 22.363 2.934 1.00 0.00 SOLV O ATOM 5902 H1 TIP3 1291 43.630 23.029 3.654 1.00 0.00 SOLV H ATOM 5903 H2 TIP3 1291 44.499 21.920 3.194 1.00 0.00 SOLV H ATOM 5904 OH2 TIP3 1292 53.662 22.803 15.583 1.00 0.00 SOLV O ATOM 5905 H1 TIP3 1292 52.708 22.983 15.425 1.00 0.00 SOLV H ATOM 5906 H2 TIP3 1292 53.891 22.410 14.727 1.00 0.00 SOLV H ATOM 5907 OH2 TIP3 1293 52.289 26.503 9.442 1.00 0.00 SOLV O ATOM 5908 H1 TIP3 1293 51.467 26.037 9.210 1.00 0.00 SOLV H ATOM 5909 H2 TIP3 1293 52.777 25.819 9.950 1.00 0.00 SOLV H ATOM 5910 OH2 TIP3 1294 41.843 32.277 1.800 1.00 0.00 SOLV O ATOM 5911 H1 TIP3 1294 42.651 32.524 2.285 1.00 0.00 SOLV H ATOM 5912 H2 TIP3 1294 42.201 31.582 1.217 1.00 0.00 SOLV H ATOM 5913 OH2 TIP3 1295 39.836 25.685 1.348 1.00 0.00 SOLV O ATOM 5914 H1 TIP3 1295 39.177 26.180 0.830 1.00 0.00 SOLV H ATOM 5915 H2 TIP3 1295 39.890 24.862 0.842 1.00 0.00 SOLV H ATOM 5916 OH2 TIP3 1296 53.498 35.948 11.133 1.00 0.00 SOLV O ATOM 5917 H1 TIP3 1296 53.348 36.652 10.460 1.00 0.00 SOLV H ATOM 5918 H2 TIP3 1296 54.480 35.974 11.192 1.00 0.00 SOLV H ATOM 5919 OH2 TIP3 1297 40.911 19.950 9.785 1.00 0.00 SOLV O ATOM 5920 H1 TIP3 1297 40.785 19.818 8.823 1.00 0.00 SOLV H ATOM 5921 H2 TIP3 1297 40.540 19.120 10.152 1.00 0.00 SOLV H ATOM 5922 OH2 TIP3 1298 39.757 33.714 5.697 1.00 0.00 SOLV O ATOM 5923 H1 TIP3 1298 39.018 33.964 6.262 1.00 0.00 SOLV H ATOM 5924 H2 TIP3 1298 39.687 34.385 4.975 1.00 0.00 SOLV H ATOM 5925 OH2 TIP3 1299 39.229 36.746 17.628 1.00 0.00 SOLV O ATOM 5926 H1 TIP3 1299 39.894 36.654 18.354 1.00 0.00 SOLV H ATOM 5927 H2 TIP3 1299 39.083 35.814 17.416 1.00 0.00 SOLV H ATOM 5928 OH2 TIP3 1300 43.430 35.392 18.946 1.00 0.00 SOLV O ATOM 5929 H1 TIP3 1300 44.366 35.322 19.153 1.00 0.00 SOLV H ATOM 5930 H2 TIP3 1300 43.352 34.877 18.118 1.00 0.00 SOLV H ATOM 5931 OH2 TIP3 1301 47.833 34.892 0.564 1.00 0.00 SOLV O ATOM 5932 H1 TIP3 1301 47.150 34.217 0.368 1.00 0.00 SOLV H ATOM 5933 H2 TIP3 1301 48.629 34.501 0.141 1.00 0.00 SOLV H ATOM 5934 OH2 TIP3 1302 50.422 33.522 17.801 1.00 0.00 SOLV O ATOM 5935 H1 TIP3 1302 49.913 32.959 18.415 1.00 0.00 SOLV H ATOM 5936 H2 TIP3 1302 50.942 34.073 18.409 1.00 0.00 SOLV H ATOM 5937 OH2 TIP3 1303 52.248 34.603 0.865 1.00 0.00 SOLV O ATOM 5938 H1 TIP3 1303 52.698 33.793 1.152 1.00 0.00 SOLV H ATOM 5939 H2 TIP3 1303 52.844 34.944 0.171 1.00 0.00 SOLV H ATOM 5940 OH2 TIP3 1304 39.096 30.275 18.298 1.00 0.00 SOLV O ATOM 5941 H1 TIP3 1304 39.120 29.301 18.234 1.00 0.00 SOLV H ATOM 5942 H2 TIP3 1304 38.381 30.509 17.674 1.00 0.00 SOLV H ATOM 5943 OH2 TIP3 1305 43.440 30.322 0.603 1.00 0.00 SOLV O ATOM 5944 H1 TIP3 1305 43.868 30.026 1.428 1.00 0.00 SOLV H ATOM 5945 H2 TIP3 1305 44.082 30.932 0.223 1.00 0.00 SOLV H ATOM 5946 OH2 TIP3 1306 45.722 30.401 17.761 1.00 0.00 SOLV O ATOM 5947 H1 TIP3 1306 45.428 30.893 16.961 1.00 0.00 SOLV H ATOM 5948 H2 TIP3 1306 45.799 29.478 17.430 1.00 0.00 SOLV H ATOM 5949 OH2 TIP3 1307 48.770 31.171 0.389 1.00 0.00 SOLV O ATOM 5950 H1 TIP3 1307 48.740 31.368 1.350 1.00 0.00 SOLV H ATOM 5951 H2 TIP3 1307 49.501 30.537 0.359 1.00 0.00 SOLV H ATOM 5952 OH2 TIP3 1308 51.338 30.384 15.450 1.00 0.00 SOLV O ATOM 5953 H1 TIP3 1308 52.238 30.703 15.247 1.00 0.00 SOLV H ATOM 5954 H2 TIP3 1308 50.812 31.177 15.229 1.00 0.00 SOLV H ATOM 5955 OH2 TIP3 1309 39.856 27.520 17.802 1.00 0.00 SOLV O ATOM 5956 H1 TIP3 1309 40.078 26.573 17.826 1.00 0.00 SOLV H ATOM 5957 H2 TIP3 1309 39.955 27.697 18.762 1.00 0.00 SOLV H ATOM 5958 OH2 TIP3 1310 44.594 28.746 2.755 1.00 0.00 SOLV O ATOM 5959 H1 TIP3 1310 44.659 28.204 3.549 1.00 0.00 SOLV H ATOM 5960 H2 TIP3 1310 44.996 28.146 2.091 1.00 0.00 SOLV H ATOM 5961 OH2 TIP3 1311 43.832 26.479 15.162 1.00 0.00 SOLV O ATOM 5962 H1 TIP3 1311 43.146 27.180 15.093 1.00 0.00 SOLV H ATOM 5963 H2 TIP3 1311 44.563 26.862 14.623 1.00 0.00 SOLV H ATOM 5964 OH2 TIP3 1312 45.628 26.695 1.314 1.00 0.00 SOLV O ATOM 5965 H1 TIP3 1312 45.650 26.698 0.349 1.00 0.00 SOLV H ATOM 5966 H2 TIP3 1312 46.593 26.581 1.491 1.00 0.00 SOLV H ATOM 5967 OH2 TIP3 1313 49.165 29.121 18.668 1.00 0.00 SOLV O ATOM 5968 H1 TIP3 1313 49.663 28.642 17.986 1.00 0.00 SOLV H ATOM 5969 H2 TIP3 1313 48.677 28.389 19.095 1.00 0.00 SOLV H ATOM 5970 OH2 TIP3 1314 54.768 29.007 0.506 1.00 0.00 SOLV O ATOM 5971 H1 TIP3 1314 55.078 28.565 -0.294 1.00 0.00 SOLV H ATOM 5972 H2 TIP3 1314 55.021 29.931 0.290 1.00 0.00 SOLV H ATOM 5973 OH2 TIP3 1315 44.512 23.998 16.033 1.00 0.00 SOLV O ATOM 5974 H1 TIP3 1315 44.483 23.346 15.304 1.00 0.00 SOLV H ATOM 5975 H2 TIP3 1315 44.238 24.829 15.586 1.00 0.00 SOLV H ATOM 5976 OH2 TIP3 1316 44.636 22.260 13.788 1.00 0.00 SOLV O ATOM 5977 H1 TIP3 1316 45.156 22.753 13.132 1.00 0.00 SOLV H ATOM 5978 H2 TIP3 1316 43.745 22.242 13.377 1.00 0.00 SOLV H ATOM 5979 OH2 TIP3 1317 45.887 27.594 13.864 1.00 0.00 SOLV O ATOM 5980 H1 TIP3 1317 46.846 27.680 13.807 1.00 0.00 SOLV H ATOM 5981 H2 TIP3 1317 45.574 28.423 13.444 1.00 0.00 SOLV H ATOM 5982 OH2 TIP3 1318 50.544 25.339 18.896 1.00 0.00 SOLV O ATOM 5983 H1 TIP3 1318 50.639 24.374 18.839 1.00 0.00 SOLV H ATOM 5984 H2 TIP3 1318 51.353 25.639 18.457 1.00 0.00 SOLV H ATOM 5985 OH2 TIP3 1319 51.791 28.358 17.172 1.00 0.00 SOLV O ATOM 5986 H1 TIP3 1319 51.509 29.117 16.605 1.00 0.00 SOLV H ATOM 5987 H2 TIP3 1319 52.764 28.417 17.057 1.00 0.00 SOLV H ATOM 5988 OH2 TIP3 1320 42.922 24.729 18.338 1.00 0.00 SOLV O ATOM 5989 H1 TIP3 1320 42.073 24.244 18.241 1.00 0.00 SOLV H ATOM 5990 H2 TIP3 1320 43.340 24.547 17.477 1.00 0.00 SOLV H ATOM 5991 OH2 TIP3 1321 45.351 19.551 14.268 1.00 0.00 SOLV O ATOM 5992 H1 TIP3 1321 45.044 20.470 14.118 1.00 0.00 SOLV H ATOM 5993 H2 TIP3 1321 44.622 19.034 13.868 1.00 0.00 SOLV H ATOM 5994 OH2 TIP3 1322 46.640 23.733 17.727 1.00 0.00 SOLV O ATOM 5995 H1 TIP3 1322 46.128 23.409 18.500 1.00 0.00 SOLV H ATOM 5996 H2 TIP3 1322 45.900 23.770 17.078 1.00 0.00 SOLV H ATOM 5997 OH2 TIP3 1323 49.305 23.250 17.016 1.00 0.00 SOLV O ATOM 5998 H1 TIP3 1323 48.382 23.187 17.344 1.00 0.00 SOLV H ATOM 5999 H2 TIP3 1323 49.770 22.607 17.587 1.00 0.00 SOLV H ATOM 6000 OH2 TIP3 1324 51.021 21.856 18.734 1.00 0.00 SOLV O ATOM 6001 H1 TIP3 1324 50.994 20.884 18.585 1.00 0.00 SOLV H ATOM 6002 H2 TIP3 1324 50.751 21.925 19.668 1.00 0.00 SOLV H ATOM 6003 OH2 TIP3 1325 41.022 22.739 17.897 1.00 0.00 SOLV O ATOM 6004 H1 TIP3 1325 40.729 21.985 17.369 1.00 0.00 SOLV H ATOM 6005 H2 TIP3 1325 40.942 22.375 18.799 1.00 0.00 SOLV H ATOM 6006 OH2 TIP3 1326 45.549 18.985 16.958 1.00 0.00 SOLV O ATOM 6007 H1 TIP3 1326 46.081 18.171 16.862 1.00 0.00 SOLV H ATOM 6008 H2 TIP3 1326 45.389 19.206 16.020 1.00 0.00 SOLV H ATOM 6009 OH2 TIP3 1327 46.130 20.634 19.051 1.00 0.00 SOLV O ATOM 6010 H1 TIP3 1327 45.937 20.088 18.257 1.00 0.00 SOLV H ATOM 6011 H2 TIP3 1327 45.447 21.336 18.990 1.00 0.00 SOLV H ATOM 6012 OH2 TIP3 1328 45.291 37.371 1.890 1.00 0.00 SOLV O ATOM 6013 H1 TIP3 1328 46.271 37.349 1.904 1.00 0.00 SOLV H ATOM 6014 H2 TIP3 1328 45.109 38.294 2.100 1.00 0.00 SOLV H ATOM 6015 OH2 TIP3 1329 39.079 32.349 1.770 1.00 0.00 SOLV O ATOM 6016 H1 TIP3 1329 40.054 32.491 1.812 1.00 0.00 SOLV H ATOM 6017 H2 TIP3 1329 39.006 31.840 0.954 1.00 0.00 SOLV H ATOM 6018 OH2 TIP3 1330 37.920 37.443 6.736 1.00 0.00 SOLV O ATOM 6019 H1 TIP3 1330 37.359 37.035 6.043 1.00 0.00 SOLV H ATOM 6020 H2 TIP3 1330 38.176 36.651 7.255 1.00 0.00 SOLV H ATOM 6021 OH2 TIP3 1331 38.586 35.328 8.384 1.00 0.00 SOLV O ATOM 6022 H1 TIP3 1331 38.175 34.603 8.873 1.00 0.00 SOLV H ATOM 6023 H2 TIP3 1331 39.081 35.777 9.095 1.00 0.00 SOLV H ATOM 6024 OH2 TIP3 1332 56.172 36.265 11.621 1.00 0.00 SOLV O ATOM 6025 H1 TIP3 1332 56.238 36.374 12.585 1.00 0.00 SOLV H ATOM 6026 H2 TIP3 1332 57.026 36.607 11.310 1.00 0.00 SOLV H ATOM 6027 OH2 TIP3 1333 55.643 35.909 14.404 1.00 0.00 SOLV O ATOM 6028 H1 TIP3 1333 55.086 35.193 14.032 1.00 0.00 SOLV H ATOM 6029 H2 TIP3 1333 56.192 35.389 15.012 1.00 0.00 SOLV H ATOM 6030 OH2 TIP3 1334 54.329 31.589 19.173 1.00 0.00 SOLV O ATOM 6031 H1 TIP3 1334 53.390 31.787 19.346 1.00 0.00 SOLV H ATOM 6032 H2 TIP3 1334 54.772 32.410 19.469 1.00 0.00 SOLV H ATOM 6033 OH2 TIP3 1335 55.469 29.950 4.510 1.00 0.00 SOLV O ATOM 6034 H1 TIP3 1335 56.249 30.541 4.524 1.00 0.00 SOLV H ATOM 6035 H2 TIP3 1335 55.661 29.360 5.274 1.00 0.00 SOLV H ATOM 6036 OH2 TIP3 1336 55.947 28.047 6.446 1.00 0.00 SOLV O ATOM 6037 H1 TIP3 1336 55.091 27.661 6.732 1.00 0.00 SOLV H ATOM 6038 H2 TIP3 1336 56.452 28.087 7.284 1.00 0.00 SOLV H ATOM 6039 OH2 TIP3 1337 55.903 30.895 11.567 1.00 0.00 SOLV O ATOM 6040 H1 TIP3 1337 56.410 30.185 11.121 1.00 0.00 SOLV H ATOM 6041 H2 TIP3 1337 56.185 31.692 11.074 1.00 0.00 SOLV H ATOM 6042 OH2 TIP3 1338 54.055 33.714 13.665 1.00 0.00 SOLV O ATOM 6043 H1 TIP3 1338 53.277 34.169 14.042 1.00 0.00 SOLV H ATOM 6044 H2 TIP3 1338 53.756 33.529 12.748 1.00 0.00 SOLV H ATOM 6045 OH2 TIP3 1339 56.147 28.012 2.700 1.00 0.00 SOLV O ATOM 6046 H1 TIP3 1339 55.601 28.261 1.925 1.00 0.00 SOLV H ATOM 6047 H2 TIP3 1339 55.849 28.691 3.343 1.00 0.00 SOLV H ATOM 6048 OH2 TIP3 1340 54.542 25.170 1.400 1.00 0.00 SOLV O ATOM 6049 H1 TIP3 1340 54.445 25.644 0.568 1.00 0.00 SOLV H ATOM 6050 H2 TIP3 1340 54.091 24.328 1.181 1.00 0.00 SOLV H ATOM 6051 OH2 TIP3 1341 53.537 26.791 6.973 1.00 0.00 SOLV O ATOM 6052 H1 TIP3 1341 53.543 25.869 6.666 1.00 0.00 SOLV H ATOM 6053 H2 TIP3 1341 53.152 26.714 7.873 1.00 0.00 SOLV H ATOM 6054 OH2 TIP3 1342 38.583 28.946 11.022 1.00 0.00 SOLV O ATOM 6055 H1 TIP3 1342 38.646 28.641 10.092 1.00 0.00 SOLV H ATOM 6056 H2 TIP3 1342 39.426 28.583 11.385 1.00 0.00 SOLV H ATOM 6057 OH2 TIP3 1343 54.553 28.625 16.906 1.00 0.00 SOLV O ATOM 6058 H1 TIP3 1343 55.133 27.847 16.747 1.00 0.00 SOLV H ATOM 6059 H2 TIP3 1343 54.935 29.290 16.313 1.00 0.00 SOLV H ATOM 6060 OH2 TIP3 1344 55.941 26.291 16.803 1.00 0.00 SOLV O ATOM 6061 H1 TIP3 1344 55.052 25.881 16.834 1.00 0.00 SOLV H ATOM 6062 H2 TIP3 1344 56.502 25.515 17.023 1.00 0.00 SOLV H ATOM 6063 OH2 TIP3 1345 53.264 22.993 0.354 1.00 0.00 SOLV O ATOM 6064 H1 TIP3 1345 53.905 22.315 0.063 1.00 0.00 SOLV H ATOM 6065 H2 TIP3 1345 52.630 22.503 0.909 1.00 0.00 SOLV H ATOM 6066 OH2 TIP3 1346 53.500 24.300 5.249 1.00 0.00 SOLV O ATOM 6067 H1 TIP3 1346 53.714 23.333 5.291 1.00 0.00 SOLV H ATOM 6068 H2 TIP3 1346 54.319 24.628 4.834 1.00 0.00 SOLV H ATOM 6069 OH2 TIP3 1347 53.822 24.598 10.777 1.00 0.00 SOLV O ATOM 6070 H1 TIP3 1347 54.783 24.736 10.605 1.00 0.00 SOLV H ATOM 6071 H2 TIP3 1347 53.819 24.749 11.740 1.00 0.00 SOLV H ATOM 6072 OH2 TIP3 1348 54.170 25.460 13.469 1.00 0.00 SOLV O ATOM 6073 H1 TIP3 1348 53.339 25.853 13.788 1.00 0.00 SOLV H ATOM 6074 H2 TIP3 1348 54.715 26.261 13.299 1.00 0.00 SOLV H ATOM 6075 OH2 TIP3 1349 56.354 19.665 18.767 1.00 0.00 SOLV O ATOM 6076 H1 TIP3 1349 56.980 19.013 18.381 1.00 0.00 SOLV H ATOM 6077 H2 TIP3 1349 56.323 20.347 18.062 1.00 0.00 SOLV H ATOM 6078 OH2 TIP3 1350 53.879 21.613 5.410 1.00 0.00 SOLV O ATOM 6079 H1 TIP3 1350 54.182 21.149 6.214 1.00 0.00 SOLV H ATOM 6080 H2 TIP3 1350 53.194 20.987 5.084 1.00 0.00 SOLV H ATOM 6081 OH2 TIP3 1351 39.494 22.336 9.766 1.00 0.00 SOLV O ATOM 6082 H1 TIP3 1351 39.887 21.458 9.937 1.00 0.00 SOLV H ATOM 6083 H2 TIP3 1351 40.159 22.920 10.165 1.00 0.00 SOLV H ATOM 6084 OH2 TIP3 1352 37.646 25.119 10.716 1.00 0.00 SOLV O ATOM 6085 H1 TIP3 1352 38.426 25.319 10.169 1.00 0.00 SOLV H ATOM 6086 H2 TIP3 1352 37.901 25.423 11.601 1.00 0.00 SOLV H ATOM 6087 OH2 TIP3 1353 55.749 21.510 16.831 1.00 0.00 SOLV O ATOM 6088 H1 TIP3 1353 54.956 22.082 16.760 1.00 0.00 SOLV H ATOM 6089 H2 TIP3 1353 55.546 20.882 16.106 1.00 0.00 SOLV H ATOM 6090 OH2 TIP3 1354 38.222 21.318 4.918 1.00 0.00 SOLV O ATOM 6091 H1 TIP3 1354 37.256 21.335 5.035 1.00 0.00 SOLV H ATOM 6092 H2 TIP3 1354 38.366 22.100 4.347 1.00 0.00 SOLV H ATOM 6093 OH2 TIP3 1355 53.037 36.460 7.143 1.00 0.00 SOLV O ATOM 6094 H1 TIP3 1355 53.681 36.418 6.407 1.00 0.00 SOLV H ATOM 6095 H2 TIP3 1355 53.478 37.071 7.747 1.00 0.00 SOLV H ATOM 6096 OH2 TIP3 1356 38.120 20.062 13.296 1.00 0.00 SOLV O ATOM 6097 H1 TIP3 1356 37.562 20.100 14.088 1.00 0.00 SOLV H ATOM 6098 H2 TIP3 1356 37.763 20.826 12.797 1.00 0.00 SOLV H ATOM 6099 OH2 TIP3 1357 40.351 33.724 17.542 1.00 0.00 SOLV O ATOM 6100 H1 TIP3 1357 39.464 33.744 17.143 1.00 0.00 SOLV H ATOM 6101 H2 TIP3 1357 40.155 33.371 18.431 1.00 0.00 SOLV H ATOM 6102 OH2 TIP3 1358 43.360 34.609 13.748 1.00 0.00 SOLV O ATOM 6103 H1 TIP3 1358 43.117 35.523 13.483 1.00 0.00 SOLV H ATOM 6104 H2 TIP3 1358 44.311 34.654 13.516 1.00 0.00 SOLV H ATOM 6105 OH2 TIP3 1359 47.412 35.820 16.455 1.00 0.00 SOLV O ATOM 6106 H1 TIP3 1359 47.496 35.491 17.382 1.00 0.00 SOLV H ATOM 6107 H2 TIP3 1359 48.261 36.301 16.359 1.00 0.00 SOLV H ATOM 6108 OH2 TIP3 1360 49.809 37.183 16.147 1.00 0.00 SOLV O ATOM 6109 H1 TIP3 1360 50.351 36.647 15.546 1.00 0.00 SOLV H ATOM 6110 H2 TIP3 1360 50.413 37.313 16.889 1.00 0.00 SOLV H ATOM 6111 OH2 TIP3 1361 54.828 19.603 15.042 1.00 0.00 SOLV O ATOM 6112 H1 TIP3 1361 54.063 19.671 14.443 1.00 0.00 SOLV H ATOM 6113 H2 TIP3 1361 55.120 18.678 14.855 1.00 0.00 SOLV H ATOM 6114 OH2 TIP3 1362 40.500 37.624 13.863 1.00 0.00 SOLV O ATOM 6115 H1 TIP3 1362 39.665 38.040 13.561 1.00 0.00 SOLV H ATOM 6116 H2 TIP3 1362 40.634 38.124 14.701 1.00 0.00 SOLV H ATOM 6117 OH2 TIP3 1363 43.079 37.224 13.035 1.00 0.00 SOLV O ATOM 6118 H1 TIP3 1363 42.142 37.423 13.265 1.00 0.00 SOLV H ATOM 6119 H2 TIP3 1363 43.186 37.724 12.200 1.00 0.00 SOLV H ATOM 6120 OH2 TIP3 1364 47.719 36.987 12.218 1.00 0.00 SOLV O ATOM 6121 H1 TIP3 1364 47.213 37.350 11.458 1.00 0.00 SOLV H ATOM 6122 H2 TIP3 1364 47.836 37.791 12.758 1.00 0.00 SOLV H ATOM 6123 OH2 TIP3 1365 50.048 35.835 13.240 1.00 0.00 SOLV O ATOM 6124 H1 TIP3 1365 49.228 36.181 12.831 1.00 0.00 SOLV H ATOM 6125 H2 TIP3 1365 50.713 36.438 12.869 1.00 0.00 SOLV H ATOM 6126 OH2 TIP3 1366 52.533 37.445 13.201 1.00 0.00 SOLV O ATOM 6127 H1 TIP3 1366 52.616 38.372 12.896 1.00 0.00 SOLV H ATOM 6128 H2 TIP3 1366 52.905 36.956 12.432 1.00 0.00 SOLV H ATOM 6129 OH2 TIP3 1367 39.989 36.227 10.659 1.00 0.00 SOLV O ATOM 6130 H1 TIP3 1367 40.006 35.717 11.496 1.00 0.00 SOLV H ATOM 6131 H2 TIP3 1367 40.799 35.849 10.238 1.00 0.00 SOLV H ATOM 6132 OH2 TIP3 1368 42.099 34.950 9.581 1.00 0.00 SOLV O ATOM 6133 H1 TIP3 1368 42.006 34.009 9.859 1.00 0.00 SOLV H ATOM 6134 H2 TIP3 1368 43.031 35.121 9.847 1.00 0.00 SOLV H ATOM 6135 OH2 TIP3 1369 44.691 35.158 10.495 1.00 0.00 SOLV O ATOM 6136 H1 TIP3 1369 44.886 34.219 10.314 1.00 0.00 SOLV H ATOM 6137 H2 TIP3 1369 45.083 35.244 11.384 1.00 0.00 SOLV H ATOM 6138 OH2 TIP3 1370 48.034 21.050 9.125 1.00 0.00 SOLV O ATOM 6139 H1 TIP3 1370 47.528 20.310 9.501 1.00 0.00 SOLV H ATOM 6140 H2 TIP3 1370 48.911 20.646 8.956 1.00 0.00 SOLV H ATOM 6141 OH2 TIP3 1371 53.151 19.326 9.560 1.00 0.00 SOLV O ATOM 6142 H1 TIP3 1371 53.790 19.781 8.965 1.00 0.00 SOLV H ATOM 6143 H2 TIP3 1371 52.298 19.595 9.180 1.00 0.00 SOLV H ATOM 6144 OH2 TIP3 1372 54.863 20.326 7.691 1.00 0.00 SOLV O ATOM 6145 H1 TIP3 1372 55.612 19.780 7.365 1.00 0.00 SOLV H ATOM 6146 H2 TIP3 1372 55.343 21.164 7.897 1.00 0.00 SOLV H ATOM 6147 OH2 TIP3 1373 40.568 19.686 7.021 1.00 0.00 SOLV O ATOM 6148 H1 TIP3 1373 39.626 19.505 6.801 1.00 0.00 SOLV H ATOM 6149 H2 TIP3 1373 40.937 18.783 6.911 1.00 0.00 SOLV H ATOM 6150 OH2 TIP3 1374 39.298 19.517 3.042 1.00 0.00 SOLV O ATOM 6151 H1 TIP3 1374 39.944 20.119 2.611 1.00 0.00 SOLV H ATOM 6152 H2 TIP3 1374 38.965 20.094 3.763 1.00 0.00 SOLV H ATOM 6153 OH2 TIP3 1375 45.195 19.439 7.105 1.00 0.00 SOLV O ATOM 6154 H1 TIP3 1375 45.980 19.839 6.694 1.00 0.00 SOLV H ATOM 6155 H2 TIP3 1375 45.420 19.473 8.050 1.00 0.00 SOLV H ATOM 6156 OH2 TIP3 1376 50.514 19.838 8.519 1.00 0.00 SOLV O ATOM 6157 H1 TIP3 1376 50.844 19.559 7.652 1.00 0.00 SOLV H ATOM 6158 H2 TIP3 1376 50.202 18.978 8.890 1.00 0.00 SOLV H ATOM 6159 OH2 TIP3 1377 51.899 19.997 4.487 1.00 0.00 SOLV O ATOM 6160 H1 TIP3 1377 51.024 20.403 4.397 1.00 0.00 SOLV H ATOM 6161 H2 TIP3 1377 51.662 19.053 4.612 1.00 0.00 SOLV H ATOM 6162 OH2 TIP3 1378 39.354 35.709 3.943 1.00 0.00 SOLV O ATOM 6163 H1 TIP3 1378 38.671 35.620 3.261 1.00 0.00 SOLV H ATOM 6164 H2 TIP3 1378 39.534 36.667 3.888 1.00 0.00 SOLV H ATOM 6165 OH2 TIP3 1379 41.262 21.168 1.920 1.00 0.00 SOLV O ATOM 6166 H1 TIP3 1379 41.546 20.819 1.065 1.00 0.00 SOLV H ATOM 6167 H2 TIP3 1379 42.106 21.459 2.314 1.00 0.00 SOLV H ATOM 6168 OH2 TIP3 1380 46.196 21.890 3.931 1.00 0.00 SOLV O ATOM 6169 H1 TIP3 1380 46.538 21.191 4.521 1.00 0.00 SOLV H ATOM 6170 H2 TIP3 1380 46.477 22.676 4.451 1.00 0.00 SOLV H ATOM 6171 OH2 TIP3 1381 48.016 37.132 1.990 1.00 0.00 SOLV O ATOM 6172 H1 TIP3 1381 48.995 37.120 2.109 1.00 0.00 SOLV H ATOM 6173 H2 TIP3 1381 47.924 36.286 1.493 1.00 0.00 SOLV H ATOM 6174 OH2 TIP3 1382 54.967 36.359 5.157 1.00 0.00 SOLV O ATOM 6175 H1 TIP3 1382 54.780 35.442 4.839 1.00 0.00 SOLV H ATOM 6176 H2 TIP3 1382 54.714 36.878 4.364 1.00 0.00 SOLV H ATOM 6177 OH2 TIP3 1383 40.470 20.198 16.572 1.00 0.00 SOLV O ATOM 6178 H1 TIP3 1383 39.964 19.424 16.897 1.00 0.00 SOLV H ATOM 6179 H2 TIP3 1383 41.304 20.067 17.078 1.00 0.00 SOLV H ATOM 6180 OH2 TIP3 1384 42.584 19.524 18.236 1.00 0.00 SOLV O ATOM 6181 H1 TIP3 1384 43.477 19.167 18.110 1.00 0.00 SOLV H ATOM 6182 H2 TIP3 1384 42.151 18.802 18.733 1.00 0.00 SOLV H ATOM 6183 OH2 TIP3 1385 40.980 36.363 0.811 1.00 0.00 SOLV O ATOM 6184 H1 TIP3 1385 40.679 36.795 1.620 1.00 0.00 SOLV H ATOM 6185 H2 TIP3 1385 41.799 35.944 1.101 1.00 0.00 SOLV H ATOM 6186 OH2 TIP3 1386 51.178 19.093 18.426 1.00 0.00 SOLV O ATOM 6187 H1 TIP3 1386 51.021 18.584 19.254 1.00 0.00 SOLV H ATOM 6188 H2 TIP3 1386 52.125 18.898 18.262 1.00 0.00 SOLV H ATOM 6189 OH2 TIP3 1387 53.937 35.013 17.088 1.00 0.00 SOLV O ATOM 6190 H1 TIP3 1387 53.325 35.001 16.320 1.00 0.00 SOLV H ATOM 6191 H2 TIP3 1387 53.910 35.972 17.306 1.00 0.00 SOLV H ATOM 6192 OH2 TIP3 1388 68.460 28.771 6.805 1.00 0.00 SOLV O ATOM 6193 H1 TIP3 1388 68.463 29.734 6.945 1.00 0.00 SOLV H ATOM 6194 H2 TIP3 1388 67.750 28.689 6.155 1.00 0.00 SOLV H ATOM 6195 OH2 TIP3 1389 67.024 28.440 10.619 1.00 0.00 SOLV O ATOM 6196 H1 TIP3 1389 67.841 27.941 10.844 1.00 0.00 SOLV H ATOM 6197 H2 TIP3 1389 66.923 28.170 9.698 1.00 0.00 SOLV H ATOM 6198 OH2 TIP3 1390 59.692 27.811 12.206 1.00 0.00 SOLV O ATOM 6199 H1 TIP3 1390 59.703 26.986 12.727 1.00 0.00 SOLV H ATOM 6200 H2 TIP3 1390 60.638 27.928 12.007 1.00 0.00 SOLV H ATOM 6201 OH2 TIP3 1391 60.824 32.388 10.448 1.00 0.00 SOLV O ATOM 6202 H1 TIP3 1391 60.625 31.466 10.172 1.00 0.00 SOLV H ATOM 6203 H2 TIP3 1391 61.795 32.325 10.552 1.00 0.00 SOLV H ATOM 6204 OH2 TIP3 1392 57.543 25.686 5.833 1.00 0.00 SOLV O ATOM 6205 H1 TIP3 1392 57.106 26.517 6.076 1.00 0.00 SOLV H ATOM 6206 H2 TIP3 1392 56.955 25.383 5.115 1.00 0.00 SOLV H ATOM 6207 OH2 TIP3 1393 57.871 27.926 8.414 1.00 0.00 SOLV O ATOM 6208 H1 TIP3 1393 58.169 27.011 8.620 1.00 0.00 SOLV H ATOM 6209 H2 TIP3 1393 58.663 28.300 8.007 1.00 0.00 SOLV H ATOM 6210 OH2 TIP3 1394 67.591 36.474 9.158 1.00 0.00 SOLV O ATOM 6211 H1 TIP3 1394 68.476 36.179 8.848 1.00 0.00 SOLV H ATOM 6212 H2 TIP3 1394 67.516 36.028 10.015 1.00 0.00 SOLV H ATOM 6213 OH2 TIP3 1395 65.554 30.689 11.034 1.00 0.00 SOLV O ATOM 6214 H1 TIP3 1395 65.936 29.798 10.846 1.00 0.00 SOLV H ATOM 6215 H2 TIP3 1395 66.354 31.079 11.439 1.00 0.00 SOLV H ATOM 6216 OH2 TIP3 1396 68.685 24.072 11.578 1.00 0.00 SOLV O ATOM 6217 H1 TIP3 1396 69.072 23.303 11.133 1.00 0.00 SOLV H ATOM 6218 H2 TIP3 1396 67.860 24.193 11.087 1.00 0.00 SOLV H ATOM 6219 OH2 TIP3 1397 58.774 25.471 9.215 1.00 0.00 SOLV O ATOM 6220 H1 TIP3 1397 59.483 25.059 9.741 1.00 0.00 SOLV H ATOM 6221 H2 TIP3 1397 59.001 25.085 8.335 1.00 0.00 SOLV H ATOM 6222 OH2 TIP3 1398 63.560 26.787 8.834 1.00 0.00 SOLV O ATOM 6223 H1 TIP3 1398 64.245 26.078 8.877 1.00 0.00 SOLV H ATOM 6224 H2 TIP3 1398 62.986 26.368 8.153 1.00 0.00 SOLV H ATOM 6225 OH2 TIP3 1399 61.001 22.130 12.541 1.00 0.00 SOLV O ATOM 6226 H1 TIP3 1399 60.785 22.701 11.780 1.00 0.00 SOLV H ATOM 6227 H2 TIP3 1399 60.252 22.324 13.140 1.00 0.00 SOLV H ATOM 6228 OH2 TIP3 1400 68.150 31.631 6.082 1.00 0.00 SOLV O ATOM 6229 H1 TIP3 1400 67.892 31.749 5.150 1.00 0.00 SOLV H ATOM 6230 H2 TIP3 1400 67.863 32.484 6.466 1.00 0.00 SOLV H ATOM 6231 OH2 TIP3 1401 63.642 29.764 12.666 1.00 0.00 SOLV O ATOM 6232 H1 TIP3 1401 63.126 30.527 13.008 1.00 0.00 SOLV H ATOM 6233 H2 TIP3 1401 64.312 30.219 12.108 1.00 0.00 SOLV H ATOM 6234 OH2 TIP3 1402 60.765 23.770 10.252 1.00 0.00 SOLV O ATOM 6235 H1 TIP3 1402 61.358 24.310 10.831 1.00 0.00 SOLV H ATOM 6236 H2 TIP3 1402 61.348 23.636 9.486 1.00 0.00 SOLV H ATOM 6237 OH2 TIP3 1403 62.117 31.865 13.696 1.00 0.00 SOLV O ATOM 6238 H1 TIP3 1403 62.102 32.828 13.521 1.00 0.00 SOLV H ATOM 6239 H2 TIP3 1403 61.175 31.727 13.934 1.00 0.00 SOLV H ATOM 6240 OH2 TIP3 1404 57.842 31.502 4.351 1.00 0.00 SOLV O ATOM 6241 H1 TIP3 1404 57.759 31.977 3.500 1.00 0.00 SOLV H ATOM 6242 H2 TIP3 1404 58.207 32.205 4.926 1.00 0.00 SOLV H ATOM 6243 OH2 TIP3 1405 64.680 19.240 10.058 1.00 0.00 SOLV O ATOM 6244 H1 TIP3 1405 64.392 18.319 9.918 1.00 0.00 SOLV H ATOM 6245 H2 TIP3 1405 63.857 19.646 10.407 1.00 0.00 SOLV H ATOM 6246 OH2 TIP3 1406 67.265 28.339 4.211 1.00 0.00 SOLV O ATOM 6247 H1 TIP3 1406 66.438 28.843 4.075 1.00 0.00 SOLV H ATOM 6248 H2 TIP3 1406 67.924 29.010 3.982 1.00 0.00 SOLV H ATOM 6249 OH2 TIP3 1407 67.159 26.313 1.230 1.00 0.00 SOLV O ATOM 6250 H1 TIP3 1407 67.366 26.512 2.152 1.00 0.00 SOLV H ATOM 6251 H2 TIP3 1407 67.665 25.512 1.046 1.00 0.00 SOLV H ATOM 6252 OH2 TIP3 1408 62.317 28.990 7.542 1.00 0.00 SOLV O ATOM 6253 H1 TIP3 1408 62.041 28.648 6.663 1.00 0.00 SOLV H ATOM 6254 H2 TIP3 1408 62.817 28.229 7.903 1.00 0.00 SOLV H ATOM 6255 OH2 TIP3 1409 63.606 32.485 10.120 1.00 0.00 SOLV O ATOM 6256 H1 TIP3 1409 63.670 32.427 9.151 1.00 0.00 SOLV H ATOM 6257 H2 TIP3 1409 64.290 31.842 10.408 1.00 0.00 SOLV H ATOM 6258 OH2 TIP3 1410 62.353 27.869 11.093 1.00 0.00 SOLV O ATOM 6259 H1 TIP3 1410 62.901 27.557 10.332 1.00 0.00 SOLV H ATOM 6260 H2 TIP3 1410 62.960 28.496 11.544 1.00 0.00 SOLV H ATOM 6261 OH2 TIP3 1411 68.400 33.698 12.486 1.00 0.00 SOLV O ATOM 6262 H1 TIP3 1411 69.309 33.882 12.800 1.00 0.00 SOLV H ATOM 6263 H2 TIP3 1411 68.266 32.771 12.664 1.00 0.00 SOLV H ATOM 6264 OH2 TIP3 1412 63.611 32.122 15.960 1.00 0.00 SOLV O ATOM 6265 H1 TIP3 1412 62.977 32.791 16.301 1.00 0.00 SOLV H ATOM 6266 H2 TIP3 1412 63.162 31.879 15.121 1.00 0.00 SOLV H ATOM 6267 OH2 TIP3 1413 60.531 28.107 15.402 1.00 0.00 SOLV O ATOM 6268 H1 TIP3 1413 60.570 28.963 15.871 1.00 0.00 SOLV H ATOM 6269 H2 TIP3 1413 59.619 28.133 15.049 1.00 0.00 SOLV H ATOM 6270 OH2 TIP3 1414 67.472 34.300 6.692 1.00 0.00 SOLV O ATOM 6271 H1 TIP3 1414 67.308 34.864 7.462 1.00 0.00 SOLV H ATOM 6272 H2 TIP3 1414 67.234 34.896 5.965 1.00 0.00 SOLV H ATOM 6273 OH2 TIP3 1415 61.753 34.061 16.536 1.00 0.00 SOLV O ATOM 6274 H1 TIP3 1415 61.733 34.360 15.604 1.00 0.00 SOLV H ATOM 6275 H2 TIP3 1415 60.798 33.939 16.738 1.00 0.00 SOLV H ATOM 6276 OH2 TIP3 1416 61.493 28.275 4.940 1.00 0.00 SOLV O ATOM 6277 H1 TIP3 1416 60.803 28.705 4.395 1.00 0.00 SOLV H ATOM 6278 H2 TIP3 1416 61.217 27.350 4.963 1.00 0.00 SOLV H ATOM 6279 OH2 TIP3 1417 57.291 30.537 13.959 1.00 0.00 SOLV O ATOM 6280 H1 TIP3 1417 56.788 30.616 13.120 1.00 0.00 SOLV H ATOM 6281 H2 TIP3 1417 57.482 29.578 14.003 1.00 0.00 SOLV H ATOM 6282 OH2 TIP3 1418 57.183 33.306 10.587 1.00 0.00 SOLV O ATOM 6283 H1 TIP3 1418 58.123 33.093 10.677 1.00 0.00 SOLV H ATOM 6284 H2 TIP3 1418 57.063 33.964 11.289 1.00 0.00 SOLV H ATOM 6285 OH2 TIP3 1419 66.046 33.232 15.437 1.00 0.00 SOLV O ATOM 6286 H1 TIP3 1419 65.964 34.126 15.798 1.00 0.00 SOLV H ATOM 6287 H2 TIP3 1419 65.167 32.851 15.641 1.00 0.00 SOLV H ATOM 6288 OH2 TIP3 1420 66.781 37.104 5.111 1.00 0.00 SOLV O ATOM 6289 H1 TIP3 1420 66.748 37.310 4.169 1.00 0.00 SOLV H ATOM 6290 H2 TIP3 1420 66.741 37.980 5.531 1.00 0.00 SOLV H ATOM 6291 OH2 TIP3 1421 60.364 35.876 7.076 1.00 0.00 SOLV O ATOM 6292 H1 TIP3 1421 60.523 35.546 7.987 1.00 0.00 SOLV H ATOM 6293 H2 TIP3 1421 59.865 35.134 6.683 1.00 0.00 SOLV H ATOM 6294 OH2 TIP3 1422 59.546 31.926 14.675 1.00 0.00 SOLV O ATOM 6295 H1 TIP3 1422 59.751 31.494 15.526 1.00 0.00 SOLV H ATOM 6296 H2 TIP3 1422 58.733 31.450 14.402 1.00 0.00 SOLV H ATOM 6297 OH2 TIP3 1423 62.218 20.141 10.959 1.00 0.00 SOLV O ATOM 6298 H1 TIP3 1423 61.415 20.092 10.398 1.00 0.00 SOLV H ATOM 6299 H2 TIP3 1423 61.980 20.909 11.515 1.00 0.00 SOLV H ATOM 6300 OH2 TIP3 1424 66.901 19.755 14.265 1.00 0.00 SOLV O ATOM 6301 H1 TIP3 1424 66.963 19.338 15.135 1.00 0.00 SOLV H ATOM 6302 H2 TIP3 1424 65.923 19.720 14.141 1.00 0.00 SOLV H ATOM 6303 OH2 TIP3 1425 66.738 22.406 1.783 1.00 0.00 SOLV O ATOM 6304 H1 TIP3 1425 66.265 22.058 2.565 1.00 0.00 SOLV H ATOM 6305 H2 TIP3 1425 66.045 22.365 1.116 1.00 0.00 SOLV H ATOM 6306 OH2 TIP3 1426 62.151 25.285 11.987 1.00 0.00 SOLV O ATOM 6307 H1 TIP3 1426 61.537 25.387 12.739 1.00 0.00 SOLV H ATOM 6308 H2 TIP3 1426 62.302 26.214 11.723 1.00 0.00 SOLV H ATOM 6309 OH2 TIP3 1427 62.012 25.739 6.908 1.00 0.00 SOLV O ATOM 6310 H1 TIP3 1427 61.146 25.285 6.974 1.00 0.00 SOLV H ATOM 6311 H2 TIP3 1427 62.437 25.174 6.232 1.00 0.00 SOLV H ATOM 6312 OH2 TIP3 1428 67.258 25.799 5.526 1.00 0.00 SOLV O ATOM 6313 H1 TIP3 1428 67.115 26.758 5.542 1.00 0.00 SOLV H ATOM 6314 H2 TIP3 1428 68.005 25.739 4.925 1.00 0.00 SOLV H ATOM 6315 OH2 TIP3 1429 67.113 25.828 17.115 1.00 0.00 SOLV O ATOM 6316 H1 TIP3 1429 66.595 25.084 17.488 1.00 0.00 SOLV H ATOM 6317 H2 TIP3 1429 68.030 25.545 17.262 1.00 0.00 SOLV H ATOM 6318 OH2 TIP3 1430 68.594 25.291 8.117 1.00 0.00 SOLV O ATOM 6319 H1 TIP3 1430 67.621 25.332 7.993 1.00 0.00 SOLV H ATOM 6320 H2 TIP3 1430 68.720 24.324 8.104 1.00 0.00 SOLV H ATOM 6321 OH2 TIP3 1431 60.036 25.492 13.769 1.00 0.00 SOLV O ATOM 6322 H1 TIP3 1431 60.342 25.837 14.621 1.00 0.00 SOLV H ATOM 6323 H2 TIP3 1431 59.668 24.618 14.014 1.00 0.00 SOLV H ATOM 6324 OH2 TIP3 1432 63.532 22.639 0.391 1.00 0.00 SOLV O ATOM 6325 H1 TIP3 1432 63.030 22.359 1.178 1.00 0.00 SOLV H ATOM 6326 H2 TIP3 1432 63.047 23.437 0.138 1.00 0.00 SOLV H ATOM 6327 OH2 TIP3 1433 56.455 22.484 7.968 1.00 0.00 SOLV O ATOM 6328 H1 TIP3 1433 57.243 22.587 8.526 1.00 0.00 SOLV H ATOM 6329 H2 TIP3 1433 56.828 22.427 7.059 1.00 0.00 SOLV H ATOM 6330 OH2 TIP3 1434 57.900 23.451 3.161 1.00 0.00 SOLV O ATOM 6331 H1 TIP3 1434 58.621 23.851 2.660 1.00 0.00 SOLV H ATOM 6332 H2 TIP3 1434 57.281 24.187 3.299 1.00 0.00 SOLV H ATOM 6333 OH2 TIP3 1435 68.322 26.641 13.452 1.00 0.00 SOLV O ATOM 6334 H1 TIP3 1435 68.533 26.269 12.578 1.00 0.00 SOLV H ATOM 6335 H2 TIP3 1435 67.607 26.037 13.741 1.00 0.00 SOLV H ATOM 6336 OH2 TIP3 1436 59.689 24.382 6.944 1.00 0.00 SOLV O ATOM 6337 H1 TIP3 1436 58.946 24.587 6.337 1.00 0.00 SOLV H ATOM 6338 H2 TIP3 1436 60.009 23.507 6.612 1.00 0.00 SOLV H ATOM 6339 OH2 TIP3 1437 62.843 24.346 4.667 1.00 0.00 SOLV O ATOM 6340 H1 TIP3 1437 63.801 24.273 4.883 1.00 0.00 SOLV H ATOM 6341 H2 TIP3 1437 62.827 25.035 3.971 1.00 0.00 SOLV H ATOM 6342 OH2 TIP3 1438 62.222 25.980 2.586 1.00 0.00 SOLV O ATOM 6343 H1 TIP3 1438 61.357 25.573 2.428 1.00 0.00 SOLV H ATOM 6344 H2 TIP3 1438 62.615 25.939 1.698 1.00 0.00 SOLV H ATOM 6345 OH2 TIP3 1439 60.326 30.424 17.025 1.00 0.00 SOLV O ATOM 6346 H1 TIP3 1439 61.006 30.439 17.724 1.00 0.00 SOLV H ATOM 6347 H2 TIP3 1439 59.512 30.375 17.561 1.00 0.00 SOLV H ATOM 6348 OH2 TIP3 1440 60.760 22.018 6.307 1.00 0.00 SOLV O ATOM 6349 H1 TIP3 1440 60.274 21.203 6.549 1.00 0.00 SOLV H ATOM 6350 H2 TIP3 1440 61.579 21.672 5.944 1.00 0.00 SOLV H ATOM 6351 OH2 TIP3 1441 64.639 23.851 12.687 1.00 0.00 SOLV O ATOM 6352 H1 TIP3 1441 64.231 24.365 11.971 1.00 0.00 SOLV H ATOM 6353 H2 TIP3 1441 65.250 24.491 13.096 1.00 0.00 SOLV H ATOM 6354 OH2 TIP3 1442 65.215 30.183 3.985 1.00 0.00 SOLV O ATOM 6355 H1 TIP3 1442 64.470 29.730 3.528 1.00 0.00 SOLV H ATOM 6356 H2 TIP3 1442 64.810 30.352 4.875 1.00 0.00 SOLV H ATOM 6357 OH2 TIP3 1443 67.036 30.667 14.944 1.00 0.00 SOLV O ATOM 6358 H1 TIP3 1443 66.724 30.326 15.786 1.00 0.00 SOLV H ATOM 6359 H2 TIP3 1443 66.841 31.624 15.028 1.00 0.00 SOLV H ATOM 6360 OH2 TIP3 1444 60.725 29.762 9.630 1.00 0.00 SOLV O ATOM 6361 H1 TIP3 1444 61.240 29.593 8.814 1.00 0.00 SOLV H ATOM 6362 H2 TIP3 1444 61.057 29.050 10.200 1.00 0.00 SOLV H ATOM 6363 OH2 TIP3 1445 67.450 31.580 3.329 1.00 0.00 SOLV O ATOM 6364 H1 TIP3 1445 67.125 32.512 3.364 1.00 0.00 SOLV H ATOM 6365 H2 TIP3 1445 66.619 31.102 3.532 1.00 0.00 SOLV H ATOM 6366 OH2 TIP3 1446 57.713 27.967 15.040 1.00 0.00 SOLV O ATOM 6367 H1 TIP3 1446 57.541 27.555 15.906 1.00 0.00 SOLV H ATOM 6368 H2 TIP3 1446 57.040 27.540 14.480 1.00 0.00 SOLV H ATOM 6369 OH2 TIP3 1447 64.812 27.631 17.166 1.00 0.00 SOLV O ATOM 6370 H1 TIP3 1447 64.242 27.326 16.439 1.00 0.00 SOLV H ATOM 6371 H2 TIP3 1447 65.641 27.160 16.956 1.00 0.00 SOLV H ATOM 6372 OH2 TIP3 1448 63.052 33.194 7.203 1.00 0.00 SOLV O ATOM 6373 H1 TIP3 1448 63.223 34.088 6.845 1.00 0.00 SOLV H ATOM 6374 H2 TIP3 1448 62.108 33.098 7.037 1.00 0.00 SOLV H ATOM 6375 OH2 TIP3 1449 58.692 27.853 1.641 1.00 0.00 SOLV O ATOM 6376 H1 TIP3 1449 59.171 28.538 2.154 1.00 0.00 SOLV H ATOM 6377 H2 TIP3 1449 57.798 27.920 2.038 1.00 0.00 SOLV H ATOM 6378 OH2 TIP3 1450 64.028 30.760 6.312 1.00 0.00 SOLV O ATOM 6379 H1 TIP3 1450 63.789 31.632 6.684 1.00 0.00 SOLV H ATOM 6380 H2 TIP3 1450 63.448 30.162 6.825 1.00 0.00 SOLV H ATOM 6381 OH2 TIP3 1451 64.887 34.876 12.971 1.00 0.00 SOLV O ATOM 6382 H1 TIP3 1451 65.502 35.595 12.678 1.00 0.00 SOLV H ATOM 6383 H2 TIP3 1451 65.539 34.207 13.247 1.00 0.00 SOLV H ATOM 6384 OH2 TIP3 1452 62.955 35.897 6.126 1.00 0.00 SOLV O ATOM 6385 H1 TIP3 1452 62.029 36.057 6.397 1.00 0.00 SOLV H ATOM 6386 H2 TIP3 1452 63.386 36.720 6.450 1.00 0.00 SOLV H ATOM 6387 OH2 TIP3 1453 67.922 31.011 12.346 1.00 0.00 SOLV O ATOM 6388 H1 TIP3 1453 67.702 30.569 13.205 1.00 0.00 SOLV H ATOM 6389 H2 TIP3 1453 68.515 30.338 11.913 1.00 0.00 SOLV H ATOM 6390 OH2 TIP3 1454 58.973 22.875 14.332 1.00 0.00 SOLV O ATOM 6391 H1 TIP3 1454 58.024 23.060 14.173 1.00 0.00 SOLV H ATOM 6392 H2 TIP3 1454 58.924 22.103 14.917 1.00 0.00 SOLV H ATOM 6393 OH2 TIP3 1455 58.846 34.463 12.796 1.00 0.00 SOLV O ATOM 6394 H1 TIP3 1455 59.159 33.605 13.131 1.00 0.00 SOLV H ATOM 6395 H2 TIP3 1455 59.122 35.058 13.506 1.00 0.00 SOLV H ATOM 6396 OH2 TIP3 1456 64.658 33.071 0.378 1.00 0.00 SOLV O ATOM 6397 H1 TIP3 1456 64.905 32.212 0.002 1.00 0.00 SOLV H ATOM 6398 H2 TIP3 1456 64.087 32.807 1.135 1.00 0.00 SOLV H ATOM 6399 OH2 TIP3 1457 63.331 32.659 2.812 1.00 0.00 SOLV O ATOM 6400 H1 TIP3 1457 63.857 32.142 3.438 1.00 0.00 SOLV H ATOM 6401 H2 TIP3 1457 63.487 33.576 3.133 1.00 0.00 SOLV H ATOM 6402 OH2 TIP3 1458 59.757 29.800 3.287 1.00 0.00 SOLV O ATOM 6403 H1 TIP3 1458 59.056 30.274 3.781 1.00 0.00 SOLV H ATOM 6404 H2 TIP3 1458 60.197 30.554 2.845 1.00 0.00 SOLV H ATOM 6405 OH2 TIP3 1459 67.580 22.572 14.307 1.00 0.00 SOLV O ATOM 6406 H1 TIP3 1459 68.018 22.076 15.009 1.00 0.00 SOLV H ATOM 6407 H2 TIP3 1459 67.082 21.885 13.843 1.00 0.00 SOLV H ATOM 6408 OH2 TIP3 1460 68.068 22.603 4.744 1.00 0.00 SOLV O ATOM 6409 H1 TIP3 1460 68.237 22.873 3.829 1.00 0.00 SOLV H ATOM 6410 H2 TIP3 1460 68.644 23.215 5.235 1.00 0.00 SOLV H ATOM 6411 OH2 TIP3 1461 66.373 34.028 3.540 1.00 0.00 SOLV O ATOM 6412 H1 TIP3 1461 65.567 34.438 3.902 1.00 0.00 SOLV H ATOM 6413 H2 TIP3 1461 66.324 34.356 2.618 1.00 0.00 SOLV H ATOM 6414 OH2 TIP3 1462 65.343 23.926 5.548 1.00 0.00 SOLV O ATOM 6415 H1 TIP3 1462 66.101 24.557 5.573 1.00 0.00 SOLV H ATOM 6416 H2 TIP3 1462 65.162 23.911 6.519 1.00 0.00 SOLV H ATOM 6417 OH2 TIP3 1463 66.442 24.987 14.448 1.00 0.00 SOLV O ATOM 6418 H1 TIP3 1463 66.602 25.117 15.399 1.00 0.00 SOLV H ATOM 6419 H2 TIP3 1463 66.873 24.110 14.297 1.00 0.00 SOLV H ATOM 6420 OH2 TIP3 1464 66.344 21.154 6.391 1.00 0.00 SOLV O ATOM 6421 H1 TIP3 1464 66.382 21.637 7.238 1.00 0.00 SOLV H ATOM 6422 H2 TIP3 1464 66.803 21.808 5.820 1.00 0.00 SOLV H ATOM 6423 OH2 TIP3 1465 63.883 35.172 3.678 1.00 0.00 SOLV O ATOM 6424 H1 TIP3 1465 63.889 36.017 3.176 1.00 0.00 SOLV H ATOM 6425 H2 TIP3 1465 63.545 35.471 4.553 1.00 0.00 SOLV H ATOM 6426 OH2 TIP3 1466 62.501 22.159 2.975 1.00 0.00 SOLV O ATOM 6427 H1 TIP3 1466 62.379 22.883 3.627 1.00 0.00 SOLV H ATOM 6428 H2 TIP3 1466 63.376 21.828 3.273 1.00 0.00 SOLV H ATOM 6429 OH2 TIP3 1467 60.717 32.096 1.952 1.00 0.00 SOLV O ATOM 6430 H1 TIP3 1467 61.537 32.420 2.380 1.00 0.00 SOLV H ATOM 6431 H2 TIP3 1467 61.142 31.545 1.257 1.00 0.00 SOLV H ATOM 6432 OH2 TIP3 1468 59.482 25.328 1.152 1.00 0.00 SOLV O ATOM 6433 H1 TIP3 1468 59.202 26.249 1.369 1.00 0.00 SOLV H ATOM 6434 H2 TIP3 1468 58.713 25.009 0.663 1.00 0.00 SOLV H ATOM 6435 OH2 TIP3 1469 59.702 19.981 9.825 1.00 0.00 SOLV O ATOM 6436 H1 TIP3 1469 59.640 19.910 8.845 1.00 0.00 SOLV H ATOM 6437 H2 TIP3 1469 59.318 19.130 10.111 1.00 0.00 SOLV H ATOM 6438 OH2 TIP3 1470 58.641 33.876 5.747 1.00 0.00 SOLV O ATOM 6439 H1 TIP3 1470 57.933 34.085 6.371 1.00 0.00 SOLV H ATOM 6440 H2 TIP3 1470 58.482 34.530 5.024 1.00 0.00 SOLV H ATOM 6441 OH2 TIP3 1471 58.086 36.799 17.604 1.00 0.00 SOLV O ATOM 6442 H1 TIP3 1471 58.782 36.544 18.253 1.00 0.00 SOLV H ATOM 6443 H2 TIP3 1471 57.801 35.925 17.294 1.00 0.00 SOLV H ATOM 6444 OH2 TIP3 1472 62.329 35.156 18.975 1.00 0.00 SOLV O ATOM 6445 H1 TIP3 1472 63.175 34.725 19.176 1.00 0.00 SOLV H ATOM 6446 H2 TIP3 1472 62.158 34.782 18.084 1.00 0.00 SOLV H ATOM 6447 OH2 TIP3 1473 66.411 35.050 1.035 1.00 0.00 SOLV O ATOM 6448 H1 TIP3 1473 65.717 34.389 0.716 1.00 0.00 SOLV H ATOM 6449 H2 TIP3 1473 67.196 34.618 0.715 1.00 0.00 SOLV H ATOM 6450 OH2 TIP3 1474 57.851 30.313 18.346 1.00 0.00 SOLV O ATOM 6451 H1 TIP3 1474 57.900 29.350 18.165 1.00 0.00 SOLV H ATOM 6452 H2 TIP3 1474 57.189 30.605 17.681 1.00 0.00 SOLV H ATOM 6453 OH2 TIP3 1475 62.360 30.421 0.632 1.00 0.00 SOLV O ATOM 6454 H1 TIP3 1475 62.708 29.889 1.386 1.00 0.00 SOLV H ATOM 6455 H2 TIP3 1475 63.131 30.495 0.064 1.00 0.00 SOLV H ATOM 6456 OH2 TIP3 1476 64.396 30.412 17.889 1.00 0.00 SOLV O ATOM 6457 H1 TIP3 1476 64.188 30.933 17.080 1.00 0.00 SOLV H ATOM 6458 H2 TIP3 1476 64.569 29.520 17.528 1.00 0.00 SOLV H ATOM 6459 OH2 TIP3 1477 67.413 31.003 0.471 1.00 0.00 SOLV O ATOM 6460 H1 TIP3 1477 67.566 31.336 1.381 1.00 0.00 SOLV H ATOM 6461 H2 TIP3 1477 68.281 30.630 0.265 1.00 0.00 SOLV H ATOM 6462 OH2 TIP3 1478 58.699 27.681 17.897 1.00 0.00 SOLV O ATOM 6463 H1 TIP3 1478 59.514 27.331 17.509 1.00 0.00 SOLV H ATOM 6464 H2 TIP3 1478 58.892 27.665 18.857 1.00 0.00 SOLV H ATOM 6465 OH2 TIP3 1479 63.291 28.815 2.627 1.00 0.00 SOLV O ATOM 6466 H1 TIP3 1479 62.699 28.387 3.273 1.00 0.00 SOLV H ATOM 6467 H2 TIP3 1479 63.638 28.041 2.133 1.00 0.00 SOLV H ATOM 6468 OH2 TIP3 1480 62.689 26.441 15.211 1.00 0.00 SOLV O ATOM 6469 H1 TIP3 1480 62.013 27.149 15.177 1.00 0.00 SOLV H ATOM 6470 H2 TIP3 1480 63.426 26.845 14.692 1.00 0.00 SOLV H ATOM 6471 OH2 TIP3 1481 64.559 27.011 0.825 1.00 0.00 SOLV O ATOM 6472 H1 TIP3 1481 64.540 26.372 0.109 1.00 0.00 SOLV H ATOM 6473 H2 TIP3 1481 65.514 26.954 1.059 1.00 0.00 SOLV H ATOM 6474 OH2 TIP3 1482 67.843 29.004 18.750 1.00 0.00 SOLV O ATOM 6475 H1 TIP3 1482 68.357 28.381 18.217 1.00 0.00 SOLV H ATOM 6476 H2 TIP3 1482 67.254 28.385 19.215 1.00 0.00 SOLV H ATOM 6477 OH2 TIP3 1483 63.227 23.988 16.137 1.00 0.00 SOLV O ATOM 6478 H1 TIP3 1483 63.217 23.312 15.424 1.00 0.00 SOLV H ATOM 6479 H2 TIP3 1483 63.086 24.819 15.626 1.00 0.00 SOLV H ATOM 6480 OH2 TIP3 1484 63.240 22.096 14.113 1.00 0.00 SOLV O ATOM 6481 H1 TIP3 1484 63.824 22.684 13.571 1.00 0.00 SOLV H ATOM 6482 H2 TIP3 1484 62.425 22.123 13.567 1.00 0.00 SOLV H ATOM 6483 OH2 TIP3 1485 64.721 27.697 14.082 1.00 0.00 SOLV O ATOM 6484 H1 TIP3 1485 65.607 27.542 13.728 1.00 0.00 SOLV H ATOM 6485 H2 TIP3 1485 64.413 28.465 13.554 1.00 0.00 SOLV H ATOM 6486 OH2 TIP3 1486 61.607 24.636 18.333 1.00 0.00 SOLV O ATOM 6487 H1 TIP3 1486 60.838 24.060 18.142 1.00 0.00 SOLV H ATOM 6488 H2 TIP3 1486 62.100 24.577 17.488 1.00 0.00 SOLV H ATOM 6489 OH2 TIP3 1487 64.183 19.521 14.241 1.00 0.00 SOLV O ATOM 6490 H1 TIP3 1487 63.791 20.422 14.173 1.00 0.00 SOLV H ATOM 6491 H2 TIP3 1487 63.496 18.989 13.787 1.00 0.00 SOLV H ATOM 6492 OH2 TIP3 1488 65.461 23.701 17.645 1.00 0.00 SOLV O ATOM 6493 H1 TIP3 1488 64.926 23.388 18.405 1.00 0.00 SOLV H ATOM 6494 H2 TIP3 1488 64.725 23.817 16.999 1.00 0.00 SOLV H ATOM 6495 OH2 TIP3 1489 67.984 22.691 17.216 1.00 0.00 SOLV O ATOM 6496 H1 TIP3 1489 67.056 23.011 17.212 1.00 0.00 SOLV H ATOM 6497 H2 TIP3 1489 67.895 21.896 17.753 1.00 0.00 SOLV H ATOM 6498 OH2 TIP3 1490 59.568 22.775 17.971 1.00 0.00 SOLV O ATOM 6499 H1 TIP3 1490 59.523 21.962 17.426 1.00 0.00 SOLV H ATOM 6500 H2 TIP3 1490 59.698 22.381 18.861 1.00 0.00 SOLV H ATOM 6501 OH2 TIP3 1491 64.396 19.011 16.944 1.00 0.00 SOLV O ATOM 6502 H1 TIP3 1491 65.008 18.251 16.872 1.00 0.00 SOLV H ATOM 6503 H2 TIP3 1491 64.228 19.196 15.996 1.00 0.00 SOLV H ATOM 6504 OH2 TIP3 1492 64.969 20.611 19.077 1.00 0.00 SOLV O ATOM 6505 H1 TIP3 1492 64.776 20.081 18.270 1.00 0.00 SOLV H ATOM 6506 H2 TIP3 1492 64.309 21.332 19.002 1.00 0.00 SOLV H ATOM 6507 OH2 TIP3 1493 64.215 37.515 2.221 1.00 0.00 SOLV O ATOM 6508 H1 TIP3 1493 65.188 37.582 2.191 1.00 0.00 SOLV H ATOM 6509 H2 TIP3 1493 63.940 38.228 1.640 1.00 0.00 SOLV H ATOM 6510 OH2 TIP3 1494 57.943 32.372 1.702 1.00 0.00 SOLV O ATOM 6511 H1 TIP3 1494 58.926 32.407 1.699 1.00 0.00 SOLV H ATOM 6512 H2 TIP3 1494 57.758 31.645 1.090 1.00 0.00 SOLV H ATOM 6513 OH2 TIP3 1495 56.960 37.450 6.675 1.00 0.00 SOLV O ATOM 6514 H1 TIP3 1495 56.335 37.071 6.017 1.00 0.00 SOLV H ATOM 6515 H2 TIP3 1495 57.103 36.669 7.250 1.00 0.00 SOLV H ATOM 6516 OH2 TIP3 1496 57.399 35.346 8.424 1.00 0.00 SOLV O ATOM 6517 H1 TIP3 1496 56.950 34.628 8.905 1.00 0.00 SOLV H ATOM 6518 H2 TIP3 1496 57.889 35.762 9.155 1.00 0.00 SOLV H ATOM 6519 OH2 TIP3 1497 57.352 28.614 11.036 1.00 0.00 SOLV O ATOM 6520 H1 TIP3 1497 57.504 28.424 10.084 1.00 0.00 SOLV H ATOM 6521 H2 TIP3 1497 58.254 28.443 11.397 1.00 0.00 SOLV H ATOM 6522 OH2 TIP3 1498 57.175 23.887 17.252 1.00 0.00 SOLV O ATOM 6523 H1 TIP3 1498 58.097 23.623 17.458 1.00 0.00 SOLV H ATOM 6524 H2 TIP3 1498 56.744 23.009 17.250 1.00 0.00 SOLV H ATOM 6525 OH2 TIP3 1499 58.280 22.343 10.218 1.00 0.00 SOLV O ATOM 6526 H1 TIP3 1499 58.702 21.463 10.146 1.00 0.00 SOLV H ATOM 6527 H2 TIP3 1499 59.066 22.916 10.195 1.00 0.00 SOLV H ATOM 6528 OH2 TIP3 1500 56.487 25.221 10.808 1.00 0.00 SOLV O ATOM 6529 H1 TIP3 1500 57.171 25.136 10.113 1.00 0.00 SOLV H ATOM 6530 H2 TIP3 1500 56.889 25.888 11.372 1.00 0.00 SOLV H ATOM 6531 OH2 TIP3 1501 57.076 21.920 5.342 1.00 0.00 SOLV O ATOM 6532 H1 TIP3 1501 56.342 21.443 4.936 1.00 0.00 SOLV H ATOM 6533 H2 TIP3 1501 57.516 22.301 4.555 1.00 0.00 SOLV H ATOM 6534 OH2 TIP3 1502 57.087 20.223 13.369 1.00 0.00 SOLV O ATOM 6535 H1 TIP3 1502 56.315 20.104 13.943 1.00 0.00 SOLV H ATOM 6536 H2 TIP3 1502 56.716 20.812 12.682 1.00 0.00 SOLV H ATOM 6537 OH2 TIP3 1503 59.170 33.812 17.437 1.00 0.00 SOLV O ATOM 6538 H1 TIP3 1503 58.276 33.801 17.044 1.00 0.00 SOLV H ATOM 6539 H2 TIP3 1503 59.026 33.377 18.284 1.00 0.00 SOLV H ATOM 6540 OH2 TIP3 1504 62.270 34.658 13.815 1.00 0.00 SOLV O ATOM 6541 H1 TIP3 1504 62.044 35.559 13.498 1.00 0.00 SOLV H ATOM 6542 H2 TIP3 1504 63.227 34.662 13.585 1.00 0.00 SOLV H ATOM 6543 OH2 TIP3 1505 66.505 35.947 16.747 1.00 0.00 SOLV O ATOM 6544 H1 TIP3 1505 66.562 35.525 17.630 1.00 0.00 SOLV H ATOM 6545 H2 TIP3 1505 67.392 35.769 16.411 1.00 0.00 SOLV H ATOM 6546 OH2 TIP3 1506 59.331 37.611 13.848 1.00 0.00 SOLV O ATOM 6547 H1 TIP3 1506 58.560 38.094 13.474 1.00 0.00 SOLV H ATOM 6548 H2 TIP3 1506 59.355 37.994 14.735 1.00 0.00 SOLV H ATOM 6549 OH2 TIP3 1507 61.937 37.251 13.037 1.00 0.00 SOLV O ATOM 6550 H1 TIP3 1507 60.992 37.428 13.241 1.00 0.00 SOLV H ATOM 6551 H2 TIP3 1507 62.040 37.731 12.189 1.00 0.00 SOLV H ATOM 6552 OH2 TIP3 1508 66.385 36.917 12.022 1.00 0.00 SOLV O ATOM 6553 H1 TIP3 1508 65.981 37.463 11.333 1.00 0.00 SOLV H ATOM 6554 H2 TIP3 1508 66.735 37.560 12.652 1.00 0.00 SOLV H ATOM 6555 OH2 TIP3 1509 58.891 36.261 10.662 1.00 0.00 SOLV O ATOM 6556 H1 TIP3 1509 58.865 35.735 11.491 1.00 0.00 SOLV H ATOM 6557 H2 TIP3 1509 59.681 35.841 10.249 1.00 0.00 SOLV H ATOM 6558 OH2 TIP3 1510 60.995 34.950 9.590 1.00 0.00 SOLV O ATOM 6559 H1 TIP3 1510 60.875 34.016 9.892 1.00 0.00 SOLV H ATOM 6560 H2 TIP3 1510 61.925 35.105 9.863 1.00 0.00 SOLV H ATOM 6561 OH2 TIP3 1511 63.648 35.255 10.502 1.00 0.00 SOLV O ATOM 6562 H1 TIP3 1511 63.769 34.313 10.256 1.00 0.00 SOLV H ATOM 6563 H2 TIP3 1511 64.021 35.221 11.406 1.00 0.00 SOLV H ATOM 6564 OH2 TIP3 1512 67.321 20.494 9.509 1.00 0.00 SOLV O ATOM 6565 H1 TIP3 1512 66.386 20.532 9.756 1.00 0.00 SOLV H ATOM 6566 H2 TIP3 1512 67.343 19.728 8.924 1.00 0.00 SOLV H ATOM 6567 OH2 TIP3 1513 59.440 19.701 7.100 1.00 0.00 SOLV O ATOM 6568 H1 TIP3 1513 58.510 19.625 6.803 1.00 0.00 SOLV H ATOM 6569 H2 TIP3 1513 59.764 18.796 6.915 1.00 0.00 SOLV H ATOM 6570 OH2 TIP3 1514 64.070 19.381 7.100 1.00 0.00 SOLV O ATOM 6571 H1 TIP3 1514 64.868 19.836 6.785 1.00 0.00 SOLV H ATOM 6572 H2 TIP3 1514 64.079 19.621 8.037 1.00 0.00 SOLV H ATOM 6573 OH2 TIP3 1515 58.228 35.734 3.817 1.00 0.00 SOLV O ATOM 6574 H1 TIP3 1515 57.491 35.588 3.203 1.00 0.00 SOLV H ATOM 6575 H2 TIP3 1515 58.319 36.705 3.751 1.00 0.00 SOLV H ATOM 6576 OH2 TIP3 1516 60.634 21.494 0.901 1.00 0.00 SOLV O ATOM 6577 H1 TIP3 1516 59.842 20.996 1.163 1.00 0.00 SOLV H ATOM 6578 H2 TIP3 1516 61.096 21.622 1.748 1.00 0.00 SOLV H ATOM 6579 OH2 TIP3 1517 65.077 21.730 3.923 1.00 0.00 SOLV O ATOM 6580 H1 TIP3 1517 65.323 21.109 4.627 1.00 0.00 SOLV H ATOM 6581 H2 TIP3 1517 65.209 22.574 4.414 1.00 0.00 SOLV H ATOM 6582 OH2 TIP3 1518 66.997 37.457 2.062 1.00 0.00 SOLV O ATOM 6583 H1 TIP3 1518 67.959 37.451 2.099 1.00 0.00 SOLV H ATOM 6584 H2 TIP3 1518 66.793 36.536 1.774 1.00 0.00 SOLV H ATOM 6585 OH2 TIP3 1519 59.326 20.302 16.689 1.00 0.00 SOLV O ATOM 6586 H1 TIP3 1519 58.761 19.545 16.937 1.00 0.00 SOLV H ATOM 6587 H2 TIP3 1519 60.156 20.064 17.153 1.00 0.00 SOLV H ATOM 6588 OH2 TIP3 1520 61.452 19.590 18.338 1.00 0.00 SOLV O ATOM 6589 H1 TIP3 1520 62.320 19.253 18.055 1.00 0.00 SOLV H ATOM 6590 H2 TIP3 1520 61.060 18.796 18.757 1.00 0.00 SOLV H ATOM 6591 OH2 TIP3 1521 59.831 36.328 0.795 1.00 0.00 SOLV O ATOM 6592 H1 TIP3 1521 59.371 36.708 1.555 1.00 0.00 SOLV H ATOM 6593 H2 TIP3 1521 60.528 35.815 1.221 1.00 0.00 SOLV H ATOM 6594 OH2 TIP3 1522 12.081 47.838 6.953 1.00 0.00 SOLV O ATOM 6595 H1 TIP3 1522 11.916 48.802 6.867 1.00 0.00 SOLV H ATOM 6596 H2 TIP3 1522 11.368 47.501 6.382 1.00 0.00 SOLV H ATOM 6597 OH2 TIP3 1523 10.993 47.047 10.739 1.00 0.00 SOLV O ATOM 6598 H1 TIP3 1523 11.107 46.618 11.610 1.00 0.00 SOLV H ATOM 6599 H2 TIP3 1523 10.502 46.365 10.252 1.00 0.00 SOLV H ATOM 6600 OH2 TIP3 1524 2.986 46.549 12.060 1.00 0.00 SOLV O ATOM 6601 H1 TIP3 1524 3.085 45.746 12.603 1.00 0.00 SOLV H ATOM 6602 H2 TIP3 1524 3.897 46.884 12.057 1.00 0.00 SOLV H ATOM 6603 OH2 TIP3 1525 14.650 50.127 9.001 1.00 0.00 SOLV O ATOM 6604 H1 TIP3 1525 14.154 49.426 9.446 1.00 0.00 SOLV H ATOM 6605 H2 TIP3 1525 14.897 50.710 9.739 1.00 0.00 SOLV H ATOM 6606 OH2 TIP3 1526 4.334 51.301 10.519 1.00 0.00 SOLV O ATOM 6607 H1 TIP3 1526 4.165 50.364 10.273 1.00 0.00 SOLV H ATOM 6608 H2 TIP3 1526 5.291 51.245 10.683 1.00 0.00 SOLV H ATOM 6609 OH2 TIP3 1527 1.199 44.880 6.028 1.00 0.00 SOLV O ATOM 6610 H1 TIP3 1527 1.153 45.819 6.246 1.00 0.00 SOLV H ATOM 6611 H2 TIP3 1527 0.248 44.683 5.922 1.00 0.00 SOLV H ATOM 6612 OH2 TIP3 1528 2.188 47.078 8.893 1.00 0.00 SOLV O ATOM 6613 H1 TIP3 1528 2.314 46.103 8.855 1.00 0.00 SOLV H ATOM 6614 H2 TIP3 1528 2.293 47.339 7.970 1.00 0.00 SOLV H ATOM 6615 OH2 TIP3 1529 11.913 55.174 9.415 1.00 0.00 SOLV O ATOM 6616 H1 TIP3 1529 12.293 54.532 8.781 1.00 0.00 SOLV H ATOM 6617 H2 TIP3 1529 11.456 54.588 10.031 1.00 0.00 SOLV H ATOM 6618 OH2 TIP3 1530 9.207 49.579 11.121 1.00 0.00 SOLV O ATOM 6619 H1 TIP3 1530 9.619 48.831 10.657 1.00 0.00 SOLV H ATOM 6620 H2 TIP3 1530 9.966 49.832 11.690 1.00 0.00 SOLV H ATOM 6621 OH2 TIP3 1531 18.048 41.018 11.945 1.00 0.00 SOLV O ATOM 6622 H1 TIP3 1531 18.310 41.699 12.597 1.00 0.00 SOLV H ATOM 6623 H2 TIP3 1531 18.483 41.348 11.140 1.00 0.00 SOLV H ATOM 6624 OH2 TIP3 1532 12.446 43.840 11.149 1.00 0.00 SOLV O ATOM 6625 H1 TIP3 1532 12.655 42.891 11.243 1.00 0.00 SOLV H ATOM 6626 H2 TIP3 1532 12.304 43.902 10.184 1.00 0.00 SOLV H ATOM 6627 OH2 TIP3 1533 5.863 41.891 8.478 1.00 0.00 SOLV O ATOM 6628 H1 TIP3 1533 5.927 42.767 8.043 1.00 0.00 SOLV H ATOM 6629 H2 TIP3 1533 5.378 41.388 7.789 1.00 0.00 SOLV H ATOM 6630 OH2 TIP3 1534 13.587 42.217 6.773 1.00 0.00 SOLV O ATOM 6631 H1 TIP3 1534 14.050 41.829 7.551 1.00 0.00 SOLV H ATOM 6632 H2 TIP3 1534 14.346 42.583 6.282 1.00 0.00 SOLV H ATOM 6633 OH2 TIP3 1535 2.418 44.365 9.066 1.00 0.00 SOLV O ATOM 6634 H1 TIP3 1535 2.906 43.834 9.721 1.00 0.00 SOLV H ATOM 6635 H2 TIP3 1535 2.703 43.927 8.237 1.00 0.00 SOLV H ATOM 6636 OH2 TIP3 1536 7.224 45.874 8.774 1.00 0.00 SOLV O ATOM 6637 H1 TIP3 1536 8.058 45.442 9.054 1.00 0.00 SOLV H ATOM 6638 H2 TIP3 1536 6.842 45.197 8.173 1.00 0.00 SOLV H ATOM 6639 OH2 TIP3 1537 18.557 42.610 14.198 1.00 0.00 SOLV O ATOM 6640 H1 TIP3 1537 17.822 43.210 13.951 1.00 0.00 SOLV H ATOM 6641 H2 TIP3 1537 18.649 42.810 15.147 1.00 0.00 SOLV H ATOM 6642 OH2 TIP3 1538 4.535 40.895 12.617 1.00 0.00 SOLV O ATOM 6643 H1 TIP3 1538 4.201 41.472 11.904 1.00 0.00 SOLV H ATOM 6644 H2 TIP3 1538 3.847 41.035 13.300 1.00 0.00 SOLV H ATOM 6645 OH2 TIP3 1539 11.492 50.353 6.014 1.00 0.00 SOLV O ATOM 6646 H1 TIP3 1539 11.478 50.605 5.080 1.00 0.00 SOLV H ATOM 6647 H2 TIP3 1539 11.114 51.161 6.426 1.00 0.00 SOLV H ATOM 6648 OH2 TIP3 1540 7.155 48.659 12.656 1.00 0.00 SOLV O ATOM 6649 H1 TIP3 1540 6.604 49.404 12.977 1.00 0.00 SOLV H ATOM 6650 H2 TIP3 1540 7.837 49.126 12.127 1.00 0.00 SOLV H ATOM 6651 OH2 TIP3 1541 14.907 41.570 9.065 1.00 0.00 SOLV O ATOM 6652 H1 TIP3 1541 14.331 41.159 9.728 1.00 0.00 SOLV H ATOM 6653 H2 TIP3 1541 15.425 42.194 9.616 1.00 0.00 SOLV H ATOM 6654 OH2 TIP3 1542 4.081 42.607 10.485 1.00 0.00 SOLV O ATOM 6655 H1 TIP3 1542 4.685 43.153 11.039 1.00 0.00 SOLV H ATOM 6656 H2 TIP3 1542 4.722 42.283 9.810 1.00 0.00 SOLV H ATOM 6657 OH2 TIP3 1543 5.574 50.735 13.699 1.00 0.00 SOLV O ATOM 6658 H1 TIP3 1543 5.568 51.695 13.506 1.00 0.00 SOLV H ATOM 6659 H2 TIP3 1543 4.669 50.643 14.055 1.00 0.00 SOLV H ATOM 6660 OH2 TIP3 1544 1.600 50.011 4.370 1.00 0.00 SOLV O ATOM 6661 H1 TIP3 1544 1.010 50.421 3.717 1.00 0.00 SOLV H ATOM 6662 H2 TIP3 1544 1.557 50.633 5.114 1.00 0.00 SOLV H ATOM 6663 OH2 TIP3 1545 15.118 52.083 11.166 1.00 0.00 SOLV O ATOM 6664 H1 TIP3 1545 14.143 52.087 11.315 1.00 0.00 SOLV H ATOM 6665 H2 TIP3 1545 15.274 53.021 10.936 1.00 0.00 SOLV H ATOM 6666 OH2 TIP3 1546 15.464 40.094 12.730 1.00 0.00 SOLV O ATOM 6667 H1 TIP3 1546 14.762 40.570 12.258 1.00 0.00 SOLV H ATOM 6668 H2 TIP3 1546 16.274 40.441 12.302 1.00 0.00 SOLV H ATOM 6669 OH2 TIP3 1547 8.147 38.002 10.054 1.00 0.00 SOLV O ATOM 6670 H1 TIP3 1547 7.802 37.086 10.010 1.00 0.00 SOLV H ATOM 6671 H2 TIP3 1547 7.355 38.467 10.405 1.00 0.00 SOLV H ATOM 6672 OH2 TIP3 1548 13.177 53.705 7.379 1.00 0.00 SOLV O ATOM 6673 H1 TIP3 1548 13.583 52.827 7.170 1.00 0.00 SOLV H ATOM 6674 H2 TIP3 1548 13.994 54.256 7.382 1.00 0.00 SOLV H ATOM 6675 OH2 TIP3 1549 14.458 51.450 6.576 1.00 0.00 SOLV O ATOM 6676 H1 TIP3 1549 14.335 50.773 5.898 1.00 0.00 SOLV H ATOM 6677 H2 TIP3 1549 14.589 50.907 7.384 1.00 0.00 SOLV H ATOM 6678 OH2 TIP3 1550 16.188 50.035 14.748 1.00 0.00 SOLV O ATOM 6679 H1 TIP3 1550 16.111 49.448 13.965 1.00 0.00 SOLV H ATOM 6680 H2 TIP3 1550 16.268 50.917 14.326 1.00 0.00 SOLV H ATOM 6681 OH2 TIP3 1551 10.631 46.981 4.748 1.00 0.00 SOLV O ATOM 6682 H1 TIP3 1551 10.010 47.701 4.511 1.00 0.00 SOLV H ATOM 6683 H2 TIP3 1551 11.248 46.994 3.995 1.00 0.00 SOLV H ATOM 6684 OH2 TIP3 1552 10.791 45.418 1.120 1.00 0.00 SOLV O ATOM 6685 H1 TIP3 1552 11.413 45.736 1.797 1.00 0.00 SOLV H ATOM 6686 H2 TIP3 1552 11.345 44.806 0.600 1.00 0.00 SOLV H ATOM 6687 OH2 TIP3 1553 17.966 46.531 12.966 1.00 0.00 SOLV O ATOM 6688 H1 TIP3 1553 17.223 47.172 12.890 1.00 0.00 SOLV H ATOM 6689 H2 TIP3 1553 18.552 46.872 12.255 1.00 0.00 SOLV H ATOM 6690 OH2 TIP3 1554 14.195 47.207 5.366 1.00 0.00 SOLV O ATOM 6691 H1 TIP3 1554 13.496 47.414 6.032 1.00 0.00 SOLV H ATOM 6692 H2 TIP3 1554 14.848 46.750 5.935 1.00 0.00 SOLV H ATOM 6693 OH2 TIP3 1555 13.912 45.304 14.759 1.00 0.00 SOLV O ATOM 6694 H1 TIP3 1555 13.866 46.021 15.421 1.00 0.00 SOLV H ATOM 6695 H2 TIP3 1555 13.225 45.598 14.126 1.00 0.00 SOLV H ATOM 6696 OH2 TIP3 1556 5.710 47.830 7.523 1.00 0.00 SOLV O ATOM 6697 H1 TIP3 1556 5.456 47.459 6.650 1.00 0.00 SOLV H ATOM 6698 H2 TIP3 1556 6.271 47.118 7.896 1.00 0.00 SOLV H ATOM 6699 OH2 TIP3 1557 7.162 51.354 10.184 1.00 0.00 SOLV O ATOM 6700 H1 TIP3 1557 7.154 51.230 9.221 1.00 0.00 SOLV H ATOM 6701 H2 TIP3 1557 7.877 50.745 10.465 1.00 0.00 SOLV H ATOM 6702 OH2 TIP3 1558 6.092 46.491 11.281 1.00 0.00 SOLV O ATOM 6703 H1 TIP3 1558 6.486 46.455 10.385 1.00 0.00 SOLV H ATOM 6704 H2 TIP3 1558 6.468 47.322 11.638 1.00 0.00 SOLV H ATOM 6705 OH2 TIP3 1559 12.498 52.194 11.795 1.00 0.00 SOLV O ATOM 6706 H1 TIP3 1559 12.322 52.890 12.453 1.00 0.00 SOLV H ATOM 6707 H2 TIP3 1559 12.043 51.413 12.170 1.00 0.00 SOLV H ATOM 6708 OH2 TIP3 1560 7.205 51.089 15.863 1.00 0.00 SOLV O ATOM 6709 H1 TIP3 1560 6.547 51.691 16.270 1.00 0.00 SOLV H ATOM 6710 H2 TIP3 1560 6.710 50.804 15.067 1.00 0.00 SOLV H ATOM 6711 OH2 TIP3 1561 12.849 46.447 3.073 1.00 0.00 SOLV O ATOM 6712 H1 TIP3 1561 13.345 46.831 3.831 1.00 0.00 SOLV H ATOM 6713 H2 TIP3 1561 13.390 46.794 2.321 1.00 0.00 SOLV H ATOM 6714 OH2 TIP3 1562 3.918 46.933 15.308 1.00 0.00 SOLV O ATOM 6715 H1 TIP3 1562 4.014 47.772 15.798 1.00 0.00 SOLV H ATOM 6716 H2 TIP3 1562 2.972 46.963 15.060 1.00 0.00 SOLV H ATOM 6717 OH2 TIP3 1563 10.691 52.876 6.702 1.00 0.00 SOLV O ATOM 6718 H1 TIP3 1563 11.574 53.205 6.968 1.00 0.00 SOLV H ATOM 6719 H2 TIP3 1563 10.351 53.608 6.173 1.00 0.00 SOLV H ATOM 6720 OH2 TIP3 1564 5.150 52.883 16.558 1.00 0.00 SOLV O ATOM 6721 H1 TIP3 1564 5.118 53.174 15.626 1.00 0.00 SOLV H ATOM 6722 H2 TIP3 1564 4.201 52.794 16.771 1.00 0.00 SOLV H ATOM 6723 OH2 TIP3 1565 16.754 38.039 3.037 1.00 0.00 SOLV O ATOM 6724 H1 TIP3 1565 15.845 38.303 3.290 1.00 0.00 SOLV H ATOM 6725 H2 TIP3 1565 17.125 38.894 2.728 1.00 0.00 SOLV H ATOM 6726 OH2 TIP3 1566 4.857 46.968 4.992 1.00 0.00 SOLV O ATOM 6727 H1 TIP3 1566 4.388 47.598 4.402 1.00 0.00 SOLV H ATOM 6728 H2 TIP3 1566 4.385 46.148 4.813 1.00 0.00 SOLV H ATOM 6729 OH2 TIP3 1567 17.877 52.678 1.550 1.00 0.00 SOLV O ATOM 6730 H1 TIP3 1567 18.254 53.573 1.540 1.00 0.00 SOLV H ATOM 6731 H2 TIP3 1567 18.675 52.116 1.593 1.00 0.00 SOLV H ATOM 6732 OH2 TIP3 1568 1.403 49.257 14.137 1.00 0.00 SOLV O ATOM 6733 H1 TIP3 1568 0.881 49.333 13.324 1.00 0.00 SOLV H ATOM 6734 H2 TIP3 1568 1.254 48.323 14.379 1.00 0.00 SOLV H ATOM 6735 OH2 TIP3 1569 0.967 52.282 9.992 1.00 0.00 SOLV O ATOM 6736 H1 TIP3 1569 1.594 51.625 10.317 1.00 0.00 SOLV H ATOM 6737 H2 TIP3 1569 0.304 52.302 10.712 1.00 0.00 SOLV H ATOM 6738 OH2 TIP3 1570 18.786 52.891 16.677 1.00 0.00 SOLV O ATOM 6739 H1 TIP3 1570 18.605 51.936 16.601 1.00 0.00 SOLV H ATOM 6740 H2 TIP3 1570 17.899 53.213 16.957 1.00 0.00 SOLV H ATOM 6741 OH2 TIP3 1571 9.617 52.209 15.260 1.00 0.00 SOLV O ATOM 6742 H1 TIP3 1571 9.593 53.061 15.749 1.00 0.00 SOLV H ATOM 6743 H2 TIP3 1571 8.736 51.841 15.499 1.00 0.00 SOLV H ATOM 6744 OH2 TIP3 1572 10.433 55.902 5.072 1.00 0.00 SOLV O ATOM 6745 H1 TIP3 1572 10.159 56.050 4.154 1.00 0.00 SOLV H ATOM 6746 H2 TIP3 1572 10.148 56.726 5.510 1.00 0.00 SOLV H ATOM 6747 OH2 TIP3 1573 3.881 54.771 7.126 1.00 0.00 SOLV O ATOM 6748 H1 TIP3 1573 4.132 54.467 8.030 1.00 0.00 SOLV H ATOM 6749 H2 TIP3 1573 3.238 54.076 6.888 1.00 0.00 SOLV H ATOM 6750 OH2 TIP3 1574 12.946 55.380 2.170 1.00 0.00 SOLV O ATOM 6751 H1 TIP3 1574 13.525 54.734 1.713 1.00 0.00 SOLV H ATOM 6752 H2 TIP3 1574 13.143 55.186 3.108 1.00 0.00 SOLV H ATOM 6753 OH2 TIP3 1575 13.052 55.209 4.911 1.00 0.00 SOLV O ATOM 6754 H1 TIP3 1575 12.085 55.353 5.012 1.00 0.00 SOLV H ATOM 6755 H2 TIP3 1575 13.231 54.609 5.656 1.00 0.00 SOLV H ATOM 6756 OH2 TIP3 1576 15.774 44.119 16.903 1.00 0.00 SOLV O ATOM 6757 H1 TIP3 1576 15.098 44.440 16.287 1.00 0.00 SOLV H ATOM 6758 H2 TIP3 1576 15.834 43.174 16.652 1.00 0.00 SOLV H ATOM 6759 OH2 TIP3 1577 3.173 51.025 15.094 1.00 0.00 SOLV O ATOM 6760 H1 TIP3 1577 3.504 50.435 15.801 1.00 0.00 SOLV H ATOM 6761 H2 TIP3 1577 2.454 50.457 14.718 1.00 0.00 SOLV H ATOM 6762 OH2 TIP3 1578 5.689 39.021 10.929 1.00 0.00 SOLV O ATOM 6763 H1 TIP3 1578 4.897 38.982 10.354 1.00 0.00 SOLV H ATOM 6764 H2 TIP3 1578 5.387 39.704 11.564 1.00 0.00 SOLV H ATOM 6765 OH2 TIP3 1579 10.456 38.717 14.296 1.00 0.00 SOLV O ATOM 6766 H1 TIP3 1579 10.903 38.196 14.995 1.00 0.00 SOLV H ATOM 6767 H2 TIP3 1579 9.508 38.604 14.516 1.00 0.00 SOLV H ATOM 6768 OH2 TIP3 1580 13.467 42.583 15.079 1.00 0.00 SOLV O ATOM 6769 H1 TIP3 1580 12.742 42.518 15.742 1.00 0.00 SOLV H ATOM 6770 H2 TIP3 1580 13.481 43.540 14.878 1.00 0.00 SOLV H ATOM 6771 OH2 TIP3 1581 14.393 47.316 1.027 1.00 0.00 SOLV O ATOM 6772 H1 TIP3 1581 14.117 47.532 0.114 1.00 0.00 SOLV H ATOM 6773 H2 TIP3 1581 15.330 47.593 0.997 1.00 0.00 SOLV H ATOM 6774 OH2 TIP3 1582 10.138 41.269 1.720 1.00 0.00 SOLV O ATOM 6775 H1 TIP3 1582 9.579 41.057 2.496 1.00 0.00 SOLV H ATOM 6776 H2 TIP3 1582 9.542 41.062 0.994 1.00 0.00 SOLV H ATOM 6777 OH2 TIP3 1583 5.759 43.998 12.188 1.00 0.00 SOLV O ATOM 6778 H1 TIP3 1583 5.063 44.153 12.861 1.00 0.00 SOLV H ATOM 6779 H2 TIP3 1583 5.907 44.922 11.870 1.00 0.00 SOLV H ATOM 6780 OH2 TIP3 1584 5.904 44.209 7.070 1.00 0.00 SOLV O ATOM 6781 H1 TIP3 1584 4.934 44.072 6.972 1.00 0.00 SOLV H ATOM 6782 H2 TIP3 1584 6.192 43.909 6.182 1.00 0.00 SOLV H ATOM 6783 OH2 TIP3 1585 11.300 44.533 5.849 1.00 0.00 SOLV O ATOM 6784 H1 TIP3 1585 11.058 45.409 5.475 1.00 0.00 SOLV H ATOM 6785 H2 TIP3 1585 11.953 44.210 5.196 1.00 0.00 SOLV H ATOM 6786 OH2 TIP3 1586 10.404 44.749 17.045 1.00 0.00 SOLV O ATOM 6787 H1 TIP3 1586 9.910 43.985 17.415 1.00 0.00 SOLV H ATOM 6788 H2 TIP3 1586 11.245 44.665 17.532 1.00 0.00 SOLV H ATOM 6789 OH2 TIP3 1587 12.184 44.019 8.438 1.00 0.00 SOLV O ATOM 6790 H1 TIP3 1587 11.764 44.526 7.712 1.00 0.00 SOLV H ATOM 6791 H2 TIP3 1587 12.572 43.302 7.893 1.00 0.00 SOLV H ATOM 6792 OH2 TIP3 1588 3.549 44.299 13.763 1.00 0.00 SOLV O ATOM 6793 H1 TIP3 1588 3.640 44.813 14.581 1.00 0.00 SOLV H ATOM 6794 H2 TIP3 1588 3.194 43.448 14.084 1.00 0.00 SOLV H ATOM 6795 OH2 TIP3 1589 6.354 41.334 0.166 1.00 0.00 SOLV O ATOM 6796 H1 TIP3 1589 6.237 41.295 1.134 1.00 0.00 SOLV H ATOM 6797 H2 TIP3 1589 6.292 42.295 0.006 1.00 0.00 SOLV H ATOM 6798 OH2 TIP3 1590 0.640 41.635 7.433 1.00 0.00 SOLV O ATOM 6799 H1 TIP3 1590 0.951 41.492 8.352 1.00 0.00 SOLV H ATOM 6800 H2 TIP3 1590 0.852 40.788 7.026 1.00 0.00 SOLV H ATOM 6801 OH2 TIP3 1591 1.553 42.200 3.504 1.00 0.00 SOLV O ATOM 6802 H1 TIP3 1591 2.187 41.806 2.885 1.00 0.00 SOLV H ATOM 6803 H2 TIP3 1591 1.628 43.142 3.281 1.00 0.00 SOLV H ATOM 6804 OH2 TIP3 1592 11.520 45.555 13.009 1.00 0.00 SOLV O ATOM 6805 H1 TIP3 1592 11.894 44.932 12.342 1.00 0.00 SOLV H ATOM 6806 H2 TIP3 1592 10.907 44.953 13.482 1.00 0.00 SOLV H ATOM 6807 OH2 TIP3 1593 8.647 41.613 7.922 1.00 0.00 SOLV O ATOM 6808 H1 TIP3 1593 7.727 41.678 8.253 1.00 0.00 SOLV H ATOM 6809 H2 TIP3 1593 9.119 41.274 8.704 1.00 0.00 SOLV H ATOM 6810 OH2 TIP3 1594 3.394 43.296 6.726 1.00 0.00 SOLV O ATOM 6811 H1 TIP3 1594 2.558 43.594 6.300 1.00 0.00 SOLV H ATOM 6812 H2 TIP3 1594 3.494 42.376 6.409 1.00 0.00 SOLV H ATOM 6813 OH2 TIP3 1595 6.543 43.209 4.642 1.00 0.00 SOLV O ATOM 6814 H1 TIP3 1595 7.516 43.272 4.740 1.00 0.00 SOLV H ATOM 6815 H2 TIP3 1595 6.341 43.876 3.947 1.00 0.00 SOLV H ATOM 6816 OH2 TIP3 1596 12.759 41.084 11.165 1.00 0.00 SOLV O ATOM 6817 H1 TIP3 1596 12.279 41.098 12.025 1.00 0.00 SOLV H ATOM 6818 H2 TIP3 1596 12.062 40.722 10.588 1.00 0.00 SOLV H ATOM 6819 OH2 TIP3 1597 5.631 44.728 2.615 1.00 0.00 SOLV O ATOM 6820 H1 TIP3 1597 4.879 44.386 2.112 1.00 0.00 SOLV H ATOM 6821 H2 TIP3 1597 6.307 44.869 1.923 1.00 0.00 SOLV H ATOM 6822 OH2 TIP3 1598 16.148 56.572 17.705 1.00 0.00 SOLV O ATOM 6823 H1 TIP3 1598 16.401 57.020 16.878 1.00 0.00 SOLV H ATOM 6824 H2 TIP3 1598 16.903 56.801 18.285 1.00 0.00 SOLV H ATOM 6825 OH2 TIP3 1599 3.935 49.230 17.073 1.00 0.00 SOLV O ATOM 6826 H1 TIP3 1599 4.568 49.216 17.821 1.00 0.00 SOLV H ATOM 6827 H2 TIP3 1599 3.084 49.258 17.556 1.00 0.00 SOLV H ATOM 6828 OH2 TIP3 1600 9.451 44.583 9.855 1.00 0.00 SOLV O ATOM 6829 H1 TIP3 1600 10.216 44.106 9.502 1.00 0.00 SOLV H ATOM 6830 H2 TIP3 1600 9.129 43.978 10.555 1.00 0.00 SOLV H ATOM 6831 OH2 TIP3 1601 4.478 40.663 6.396 1.00 0.00 SOLV O ATOM 6832 H1 TIP3 1601 3.902 39.928 6.706 1.00 0.00 SOLV H ATOM 6833 H2 TIP3 1601 5.050 40.194 5.775 1.00 0.00 SOLV H ATOM 6834 OH2 TIP3 1602 8.374 43.160 12.187 1.00 0.00 SOLV O ATOM 6835 H1 TIP3 1602 7.471 43.541 12.238 1.00 0.00 SOLV H ATOM 6836 H2 TIP3 1602 8.814 43.539 12.974 1.00 0.00 SOLV H ATOM 6837 OH2 TIP3 1603 8.826 49.006 3.986 1.00 0.00 SOLV O ATOM 6838 H1 TIP3 1603 8.078 48.562 3.530 1.00 0.00 SOLV H ATOM 6839 H2 TIP3 1603 8.405 49.214 4.858 1.00 0.00 SOLV H ATOM 6840 OH2 TIP3 1604 15.964 48.385 12.528 1.00 0.00 SOLV O ATOM 6841 H1 TIP3 1604 16.483 48.998 11.969 1.00 0.00 SOLV H ATOM 6842 H2 TIP3 1604 15.183 48.197 11.960 1.00 0.00 SOLV H ATOM 6843 OH2 TIP3 1605 12.847 41.728 2.041 1.00 0.00 SOLV O ATOM 6844 H1 TIP3 1605 11.883 41.603 1.886 1.00 0.00 SOLV H ATOM 6845 H2 TIP3 1605 12.866 42.547 2.571 1.00 0.00 SOLV H ATOM 6846 OH2 TIP3 1606 10.273 49.414 15.129 1.00 0.00 SOLV O ATOM 6847 H1 TIP3 1606 10.436 49.092 16.024 1.00 0.00 SOLV H ATOM 6848 H2 TIP3 1606 10.047 50.349 15.275 1.00 0.00 SOLV H ATOM 6849 OH2 TIP3 1607 13.243 43.805 3.929 1.00 0.00 SOLV O ATOM 6850 H1 TIP3 1607 14.129 43.715 4.327 1.00 0.00 SOLV H ATOM 6851 H2 TIP3 1607 13.246 44.729 3.605 1.00 0.00 SOLV H ATOM 6852 OH2 TIP3 1608 4.359 48.699 9.809 1.00 0.00 SOLV O ATOM 6853 H1 TIP3 1608 4.842 48.448 8.995 1.00 0.00 SOLV H ATOM 6854 H2 TIP3 1608 3.705 47.983 9.871 1.00 0.00 SOLV H ATOM 6855 OH2 TIP3 1609 10.954 50.503 3.122 1.00 0.00 SOLV O ATOM 6856 H1 TIP3 1609 10.585 51.404 3.290 1.00 0.00 SOLV H ATOM 6857 H2 TIP3 1609 10.203 49.950 3.440 1.00 0.00 SOLV H ATOM 6858 OH2 TIP3 1610 1.154 46.636 14.964 1.00 0.00 SOLV O ATOM 6859 H1 TIP3 1610 0.862 46.318 15.832 1.00 0.00 SOLV H ATOM 6860 H2 TIP3 1610 0.473 46.218 14.379 1.00 0.00 SOLV H ATOM 6861 OH2 TIP3 1611 8.232 46.524 17.232 1.00 0.00 SOLV O ATOM 6862 H1 TIP3 1611 7.649 46.179 16.536 1.00 0.00 SOLV H ATOM 6863 H2 TIP3 1611 9.065 46.045 17.034 1.00 0.00 SOLV H ATOM 6864 OH2 TIP3 1612 12.426 51.804 15.166 1.00 0.00 SOLV O ATOM 6865 H1 TIP3 1612 11.471 51.967 15.058 1.00 0.00 SOLV H ATOM 6866 H2 TIP3 1612 12.557 52.118 16.086 1.00 0.00 SOLV H ATOM 6867 OH2 TIP3 1613 18.157 44.326 3.712 1.00 0.00 SOLV O ATOM 6868 H1 TIP3 1613 17.667 44.152 2.872 1.00 0.00 SOLV H ATOM 6869 H2 TIP3 1613 18.298 45.290 3.566 1.00 0.00 SOLV H ATOM 6870 OH2 TIP3 1614 18.411 50.013 16.334 1.00 0.00 SOLV O ATOM 6871 H1 TIP3 1614 17.498 50.137 15.993 1.00 0.00 SOLV H ATOM 6872 H2 TIP3 1614 18.879 49.835 15.486 1.00 0.00 SOLV H ATOM 6873 OH2 TIP3 1615 16.682 52.818 4.050 1.00 0.00 SOLV O ATOM 6874 H1 TIP3 1615 16.049 52.122 4.273 1.00 0.00 SOLV H ATOM 6875 H2 TIP3 1615 16.932 52.602 3.130 1.00 0.00 SOLV H ATOM 6876 OH2 TIP3 1616 13.806 47.714 10.833 1.00 0.00 SOLV O ATOM 6877 H1 TIP3 1616 12.839 47.624 10.722 1.00 0.00 SOLV H ATOM 6878 H2 TIP3 1616 14.115 46.938 10.326 1.00 0.00 SOLV H ATOM 6879 OH2 TIP3 1617 6.497 52.018 7.164 1.00 0.00 SOLV O ATOM 6880 H1 TIP3 1617 6.684 52.905 6.801 1.00 0.00 SOLV H ATOM 6881 H2 TIP3 1617 5.535 51.979 7.100 1.00 0.00 SOLV H ATOM 6882 OH2 TIP3 1618 2.017 46.687 1.832 1.00 0.00 SOLV O ATOM 6883 H1 TIP3 1618 2.678 47.224 2.324 1.00 0.00 SOLV H ATOM 6884 H2 TIP3 1618 1.396 47.379 1.577 1.00 0.00 SOLV H ATOM 6885 OH2 TIP3 1619 7.472 49.590 6.241 1.00 0.00 SOLV O ATOM 6886 H1 TIP3 1619 7.261 50.472 6.606 1.00 0.00 SOLV H ATOM 6887 H2 TIP3 1619 6.892 49.018 6.780 1.00 0.00 SOLV H ATOM 6888 OH2 TIP3 1620 8.293 53.846 13.000 1.00 0.00 SOLV O ATOM 6889 H1 TIP3 1620 8.924 54.571 12.798 1.00 0.00 SOLV H ATOM 6890 H2 TIP3 1620 8.856 53.244 13.511 1.00 0.00 SOLV H ATOM 6891 OH2 TIP3 1621 6.425 54.773 6.095 1.00 0.00 SOLV O ATOM 6892 H1 TIP3 1621 5.496 54.890 6.385 1.00 0.00 SOLV H ATOM 6893 H2 TIP3 1621 6.834 55.595 6.448 1.00 0.00 SOLV H ATOM 6894 OH2 TIP3 1622 11.453 49.731 12.690 1.00 0.00 SOLV O ATOM 6895 H1 TIP3 1622 11.068 49.545 13.576 1.00 0.00 SOLV H ATOM 6896 H2 TIP3 1622 12.163 49.077 12.651 1.00 0.00 SOLV H ATOM 6897 OH2 TIP3 1623 13.723 50.809 2.082 1.00 0.00 SOLV O ATOM 6898 H1 TIP3 1623 14.319 50.316 2.680 1.00 0.00 SOLV H ATOM 6899 H2 TIP3 1623 12.886 50.758 2.570 1.00 0.00 SOLV H ATOM 6900 OH2 TIP3 1624 14.468 54.196 14.947 1.00 0.00 SOLV O ATOM 6901 H1 TIP3 1624 13.624 53.849 14.595 1.00 0.00 SOLV H ATOM 6902 H2 TIP3 1624 14.590 54.988 14.379 1.00 0.00 SOLV H ATOM 6903 OH2 TIP3 1625 18.686 55.420 1.838 1.00 0.00 SOLV O ATOM 6904 H1 TIP3 1625 19.291 56.126 2.159 1.00 0.00 SOLV H ATOM 6905 H2 TIP3 1625 17.835 55.794 2.162 1.00 0.00 SOLV H ATOM 6906 OH2 TIP3 1626 2.573 41.563 14.486 1.00 0.00 SOLV O ATOM 6907 H1 TIP3 1626 1.631 41.579 14.257 1.00 0.00 SOLV H ATOM 6908 H2 TIP3 1626 2.606 40.823 15.119 1.00 0.00 SOLV H ATOM 6909 OH2 TIP3 1627 15.125 49.534 4.158 1.00 0.00 SOLV O ATOM 6910 H1 TIP3 1627 14.741 48.736 4.572 1.00 0.00 SOLV H ATOM 6911 H2 TIP3 1627 16.079 49.316 4.214 1.00 0.00 SOLV H ATOM 6912 OH2 TIP3 1628 2.111 53.260 12.974 1.00 0.00 SOLV O ATOM 6913 H1 TIP3 1628 2.713 52.542 13.258 1.00 0.00 SOLV H ATOM 6914 H2 TIP3 1628 2.420 54.003 13.520 1.00 0.00 SOLV H ATOM 6915 OH2 TIP3 1629 8.133 51.910 0.358 1.00 0.00 SOLV O ATOM 6916 H1 TIP3 1629 8.205 51.061 -0.104 1.00 0.00 SOLV H ATOM 6917 H2 TIP3 1629 7.598 51.686 1.149 1.00 0.00 SOLV H ATOM 6918 OH2 TIP3 1630 6.825 51.525 2.804 1.00 0.00 SOLV O ATOM 6919 H1 TIP3 1630 7.338 51.028 3.456 1.00 0.00 SOLV H ATOM 6920 H2 TIP3 1630 6.959 52.448 3.118 1.00 0.00 SOLV H ATOM 6921 OH2 TIP3 1631 3.523 48.548 3.206 1.00 0.00 SOLV O ATOM 6922 H1 TIP3 1631 2.830 49.048 3.705 1.00 0.00 SOLV H ATOM 6923 H2 TIP3 1631 3.922 49.293 2.716 1.00 0.00 SOLV H ATOM 6924 OH2 TIP3 1632 11.488 41.186 13.591 1.00 0.00 SOLV O ATOM 6925 H1 TIP3 1632 12.173 41.367 14.256 1.00 0.00 SOLV H ATOM 6926 H2 TIP3 1632 11.100 40.339 13.900 1.00 0.00 SOLV H ATOM 6927 OH2 TIP3 1633 12.190 40.629 4.894 1.00 0.00 SOLV O ATOM 6928 H1 TIP3 1633 12.379 41.054 4.042 1.00 0.00 SOLV H ATOM 6929 H2 TIP3 1633 12.607 41.254 5.526 1.00 0.00 SOLV H ATOM 6930 OH2 TIP3 1634 9.834 52.918 3.422 1.00 0.00 SOLV O ATOM 6931 H1 TIP3 1634 8.996 53.358 3.667 1.00 0.00 SOLV H ATOM 6932 H2 TIP3 1634 9.966 53.251 2.513 1.00 0.00 SOLV H ATOM 6933 OH2 TIP3 1635 9.137 42.863 5.522 1.00 0.00 SOLV O ATOM 6934 H1 TIP3 1635 9.889 43.475 5.680 1.00 0.00 SOLV H ATOM 6935 H2 TIP3 1635 8.965 42.541 6.434 1.00 0.00 SOLV H ATOM 6936 OH2 TIP3 1636 10.019 43.766 14.418 1.00 0.00 SOLV O ATOM 6937 H1 TIP3 1636 10.141 44.056 15.345 1.00 0.00 SOLV H ATOM 6938 H2 TIP3 1636 10.352 42.853 14.434 1.00 0.00 SOLV H ATOM 6939 OH2 TIP3 1637 9.846 39.620 6.053 1.00 0.00 SOLV O ATOM 6940 H1 TIP3 1637 9.695 40.300 6.736 1.00 0.00 SOLV H ATOM 6941 H2 TIP3 1637 10.695 39.936 5.663 1.00 0.00 SOLV H ATOM 6942 OH2 TIP3 1638 7.349 54.045 3.654 1.00 0.00 SOLV O ATOM 6943 H1 TIP3 1638 7.309 54.889 3.151 1.00 0.00 SOLV H ATOM 6944 H2 TIP3 1638 7.003 54.328 4.533 1.00 0.00 SOLV H ATOM 6945 OH2 TIP3 1639 5.940 41.116 2.949 1.00 0.00 SOLV O ATOM 6946 H1 TIP3 1639 5.891 41.873 3.575 1.00 0.00 SOLV H ATOM 6947 H2 TIP3 1639 6.816 40.771 3.225 1.00 0.00 SOLV H ATOM 6948 OH2 TIP3 1640 15.927 41.631 15.605 1.00 0.00 SOLV O ATOM 6949 H1 TIP3 1640 14.978 41.817 15.428 1.00 0.00 SOLV H ATOM 6950 H2 TIP3 1640 16.213 41.360 14.723 1.00 0.00 SOLV H ATOM 6951 OH2 TIP3 1641 14.586 45.344 9.425 1.00 0.00 SOLV O ATOM 6952 H1 TIP3 1641 13.726 44.930 9.233 1.00 0.00 SOLV H ATOM 6953 H2 TIP3 1641 15.031 44.654 9.959 1.00 0.00 SOLV H ATOM 6954 OH2 TIP3 1642 4.198 51.003 1.958 1.00 0.00 SOLV O ATOM 6955 H1 TIP3 1642 5.014 51.317 2.393 1.00 0.00 SOLV H ATOM 6956 H2 TIP3 1642 4.618 50.458 1.257 1.00 0.00 SOLV H ATOM 6957 OH2 TIP3 1643 2.716 44.105 1.224 1.00 0.00 SOLV O ATOM 6958 H1 TIP3 1643 2.427 45.025 1.434 1.00 0.00 SOLV H ATOM 6959 H2 TIP3 1643 1.999 43.794 0.655 1.00 0.00 SOLV H ATOM 6960 OH2 TIP3 1644 15.791 54.806 11.106 1.00 0.00 SOLV O ATOM 6961 H1 TIP3 1644 15.650 55.488 10.410 1.00 0.00 SOLV H ATOM 6962 H2 TIP3 1644 16.771 54.834 11.185 1.00 0.00 SOLV H ATOM 6963 OH2 TIP3 1645 3.138 38.894 9.821 1.00 0.00 SOLV O ATOM 6964 H1 TIP3 1645 3.066 38.712 8.859 1.00 0.00 SOLV H ATOM 6965 H2 TIP3 1645 2.844 38.036 10.203 1.00 0.00 SOLV H ATOM 6966 OH2 TIP3 1646 2.079 52.777 5.782 1.00 0.00 SOLV O ATOM 6967 H1 TIP3 1646 1.334 53.045 6.342 1.00 0.00 SOLV H ATOM 6968 H2 TIP3 1646 2.038 53.386 5.025 1.00 0.00 SOLV H ATOM 6969 OH2 TIP3 1647 1.817 55.580 17.476 1.00 0.00 SOLV O ATOM 6970 H1 TIP3 1647 2.299 55.625 18.327 1.00 0.00 SOLV H ATOM 6971 H2 TIP3 1647 1.916 54.625 17.303 1.00 0.00 SOLV H ATOM 6972 OH2 TIP3 1648 5.754 54.022 18.992 1.00 0.00 SOLV O ATOM 6973 H1 TIP3 1648 6.646 53.716 19.203 1.00 0.00 SOLV H ATOM 6974 H2 TIP3 1648 5.611 53.598 18.121 1.00 0.00 SOLV H ATOM 6975 OH2 TIP3 1649 10.162 53.650 0.780 1.00 0.00 SOLV O ATOM 6976 H1 TIP3 1649 9.477 53.000 0.502 1.00 0.00 SOLV H ATOM 6977 H2 TIP3 1649 10.926 53.378 0.229 1.00 0.00 SOLV H ATOM 6978 OH2 TIP3 1650 12.481 52.553 17.806 1.00 0.00 SOLV O ATOM 6979 H1 TIP3 1650 12.186 51.747 18.291 1.00 0.00 SOLV H ATOM 6980 H2 TIP3 1650 13.218 52.864 18.370 1.00 0.00 SOLV H ATOM 6981 OH2 TIP3 1651 14.519 53.462 0.904 1.00 0.00 SOLV O ATOM 6982 H1 TIP3 1651 14.870 52.614 1.223 1.00 0.00 SOLV H ATOM 6983 H2 TIP3 1651 15.181 53.736 0.243 1.00 0.00 SOLV H ATOM 6984 OH2 TIP3 1652 1.395 49.213 18.135 1.00 0.00 SOLV O ATOM 6985 H1 TIP3 1652 1.438 48.260 17.902 1.00 0.00 SOLV H ATOM 6986 H2 TIP3 1652 0.472 49.420 17.920 1.00 0.00 SOLV H ATOM 6987 OH2 TIP3 1653 5.781 49.268 0.704 1.00 0.00 SOLV O ATOM 6988 H1 TIP3 1653 6.194 48.727 1.412 1.00 0.00 SOLV H ATOM 6989 H2 TIP3 1653 6.494 49.371 0.071 1.00 0.00 SOLV H ATOM 6990 OH2 TIP3 1654 7.869 49.316 17.848 1.00 0.00 SOLV O ATOM 6991 H1 TIP3 1654 7.726 49.800 17.006 1.00 0.00 SOLV H ATOM 6992 H2 TIP3 1654 8.077 48.409 17.540 1.00 0.00 SOLV H ATOM 6993 OH2 TIP3 1655 11.070 50.079 0.371 1.00 0.00 SOLV O ATOM 6994 H1 TIP3 1655 10.968 50.249 1.332 1.00 0.00 SOLV H ATOM 6995 H2 TIP3 1655 11.698 49.344 0.380 1.00 0.00 SOLV H ATOM 6996 OH2 TIP3 1656 13.605 49.277 15.391 1.00 0.00 SOLV O ATOM 6997 H1 TIP3 1656 14.520 49.581 15.236 1.00 0.00 SOLV H ATOM 6998 H2 TIP3 1656 13.111 50.105 15.218 1.00 0.00 SOLV H ATOM 6999 OH2 TIP3 1657 1.717 46.526 17.882 1.00 0.00 SOLV O ATOM 7000 H1 TIP3 1657 2.336 45.903 17.477 1.00 0.00 SOLV H ATOM 7001 H2 TIP3 1657 2.038 46.541 18.809 1.00 0.00 SOLV H ATOM 7002 OH2 TIP3 1658 6.815 47.646 2.676 1.00 0.00 SOLV O ATOM 7003 H1 TIP3 1658 6.202 47.237 3.310 1.00 0.00 SOLV H ATOM 7004 H2 TIP3 1658 7.185 46.859 2.226 1.00 0.00 SOLV H ATOM 7005 OH2 TIP3 1659 6.141 45.304 15.234 1.00 0.00 SOLV O ATOM 7006 H1 TIP3 1659 5.431 45.977 15.155 1.00 0.00 SOLV H ATOM 7007 H2 TIP3 1659 6.854 45.704 14.682 1.00 0.00 SOLV H ATOM 7008 OH2 TIP3 1660 7.965 45.558 1.196 1.00 0.00 SOLV O ATOM 7009 H1 TIP3 1660 7.848 45.883 0.287 1.00 0.00 SOLV H ATOM 7010 H2 TIP3 1660 8.941 45.446 1.250 1.00 0.00 SOLV H ATOM 7011 OH2 TIP3 1661 11.237 47.922 18.554 1.00 0.00 SOLV O ATOM 7012 H1 TIP3 1661 12.006 47.485 18.167 1.00 0.00 SOLV H ATOM 7013 H2 TIP3 1661 10.852 47.207 19.095 1.00 0.00 SOLV H ATOM 7014 OH2 TIP3 1662 17.088 47.852 0.499 1.00 0.00 SOLV O ATOM 7015 H1 TIP3 1662 17.357 47.454 -0.339 1.00 0.00 SOLV H ATOM 7016 H2 TIP3 1662 17.355 48.780 0.330 1.00 0.00 SOLV H ATOM 7017 OH2 TIP3 1663 6.716 42.835 16.128 1.00 0.00 SOLV O ATOM 7018 H1 TIP3 1663 6.768 42.221 15.366 1.00 0.00 SOLV H ATOM 7019 H2 TIP3 1663 6.524 43.693 15.680 1.00 0.00 SOLV H ATOM 7020 OH2 TIP3 1664 6.971 41.157 13.862 1.00 0.00 SOLV O ATOM 7021 H1 TIP3 1664 7.511 41.639 13.210 1.00 0.00 SOLV H ATOM 7022 H2 TIP3 1664 6.102 41.114 13.405 1.00 0.00 SOLV H ATOM 7023 OH2 TIP3 1665 8.170 46.488 13.990 1.00 0.00 SOLV O ATOM 7024 H1 TIP3 1665 9.122 46.582 13.875 1.00 0.00 SOLV H ATOM 7025 H2 TIP3 1665 7.827 47.276 13.515 1.00 0.00 SOLV H ATOM 7026 OH2 TIP3 1666 12.661 44.280 18.737 1.00 0.00 SOLV O ATOM 7027 H1 TIP3 1666 12.988 43.368 18.742 1.00 0.00 SOLV H ATOM 7028 H2 TIP3 1666 13.485 44.789 18.696 1.00 0.00 SOLV H ATOM 7029 OH2 TIP3 1667 14.118 47.164 16.994 1.00 0.00 SOLV O ATOM 7030 H1 TIP3 1667 13.807 47.944 16.472 1.00 0.00 SOLV H ATOM 7031 H2 TIP3 1667 15.090 47.282 16.908 1.00 0.00 SOLV H ATOM 7032 OH2 TIP3 1668 5.028 43.480 18.350 1.00 0.00 SOLV O ATOM 7033 H1 TIP3 1668 4.268 42.900 18.135 1.00 0.00 SOLV H ATOM 7034 H2 TIP3 1668 5.527 43.462 17.509 1.00 0.00 SOLV H ATOM 7035 OH2 TIP3 1669 7.646 38.431 14.303 1.00 0.00 SOLV O ATOM 7036 H1 TIP3 1669 7.351 39.350 14.135 1.00 0.00 SOLV H ATOM 7037 H2 TIP3 1669 6.940 37.917 13.855 1.00 0.00 SOLV H ATOM 7038 OH2 TIP3 1670 8.945 42.537 17.728 1.00 0.00 SOLV O ATOM 7039 H1 TIP3 1670 8.453 42.241 18.519 1.00 0.00 SOLV H ATOM 7040 H2 TIP3 1670 8.193 42.605 17.099 1.00 0.00 SOLV H ATOM 7041 OH2 TIP3 1671 11.536 41.947 16.838 1.00 0.00 SOLV O ATOM 7042 H1 TIP3 1671 10.647 41.977 17.247 1.00 0.00 SOLV H ATOM 7043 H2 TIP3 1671 12.048 41.423 17.485 1.00 0.00 SOLV H ATOM 7044 OH2 TIP3 1672 13.285 40.715 18.665 1.00 0.00 SOLV O ATOM 7045 H1 TIP3 1672 13.240 39.740 18.564 1.00 0.00 SOLV H ATOM 7046 H2 TIP3 1672 13.010 40.843 19.597 1.00 0.00 SOLV H ATOM 7047 OH2 TIP3 1673 2.970 41.634 17.986 1.00 0.00 SOLV O ATOM 7048 H1 TIP3 1673 2.879 40.839 17.421 1.00 0.00 SOLV H ATOM 7049 H2 TIP3 1673 3.138 41.211 18.853 1.00 0.00 SOLV H ATOM 7050 OH2 TIP3 1674 7.794 37.826 16.970 1.00 0.00 SOLV O ATOM 7051 H1 TIP3 1674 8.332 37.018 16.862 1.00 0.00 SOLV H ATOM 7052 H2 TIP3 1674 7.663 38.071 16.030 1.00 0.00 SOLV H ATOM 7053 OH2 TIP3 1675 8.339 39.444 19.098 1.00 0.00 SOLV O ATOM 7054 H1 TIP3 1675 8.205 38.918 18.278 1.00 0.00 SOLV H ATOM 7055 H2 TIP3 1675 7.690 40.171 18.979 1.00 0.00 SOLV H ATOM 7056 OH2 TIP3 1676 7.617 56.340 2.175 1.00 0.00 SOLV O ATOM 7057 H1 TIP3 1676 8.593 56.315 2.081 1.00 0.00 SOLV H ATOM 7058 H2 TIP3 1676 7.389 57.160 1.727 1.00 0.00 SOLV H ATOM 7059 OH2 TIP3 1677 1.519 50.575 1.290 1.00 0.00 SOLV O ATOM 7060 H1 TIP3 1677 2.376 50.883 1.636 1.00 0.00 SOLV H ATOM 7061 H2 TIP3 1677 1.791 50.043 0.528 1.00 0.00 SOLV H ATOM 7062 OH2 TIP3 1678 1.206 54.369 8.314 1.00 0.00 SOLV O ATOM 7063 H1 TIP3 1678 1.096 53.501 8.772 1.00 0.00 SOLV H ATOM 7064 H2 TIP3 1678 1.715 54.837 9.004 1.00 0.00 SOLV H ATOM 7065 OH2 TIP3 1679 18.462 55.099 11.627 1.00 0.00 SOLV O ATOM 7066 H1 TIP3 1679 18.473 55.201 12.596 1.00 0.00 SOLV H ATOM 7067 H2 TIP3 1679 19.303 55.502 11.365 1.00 0.00 SOLV H ATOM 7068 OH2 TIP3 1680 17.924 54.753 14.393 1.00 0.00 SOLV O ATOM 7069 H1 TIP3 1680 17.375 54.017 14.046 1.00 0.00 SOLV H ATOM 7070 H2 TIP3 1680 18.449 54.268 15.050 1.00 0.00 SOLV H ATOM 7071 OH2 TIP3 1681 16.406 50.466 19.151 1.00 0.00 SOLV O ATOM 7072 H1 TIP3 1681 15.567 50.595 19.637 1.00 0.00 SOLV H ATOM 7073 H2 TIP3 1681 16.938 51.217 19.487 1.00 0.00 SOLV H ATOM 7074 OH2 TIP3 1682 17.788 48.768 4.499 1.00 0.00 SOLV O ATOM 7075 H1 TIP3 1682 18.550 49.382 4.533 1.00 0.00 SOLV H ATOM 7076 H2 TIP3 1682 17.972 48.187 5.269 1.00 0.00 SOLV H ATOM 7077 OH2 TIP3 1683 18.267 46.825 6.414 1.00 0.00 SOLV O ATOM 7078 H1 TIP3 1683 17.395 46.488 6.716 1.00 0.00 SOLV H ATOM 7079 H2 TIP3 1683 18.753 46.945 7.258 1.00 0.00 SOLV H ATOM 7080 OH2 TIP3 1684 18.197 49.773 11.575 1.00 0.00 SOLV O ATOM 7081 H1 TIP3 1684 18.702 49.073 11.116 1.00 0.00 SOLV H ATOM 7082 H2 TIP3 1684 18.469 50.579 11.091 1.00 0.00 SOLV H ATOM 7083 OH2 TIP3 1685 16.327 52.581 13.645 1.00 0.00 SOLV O ATOM 7084 H1 TIP3 1685 15.559 53.031 14.050 1.00 0.00 SOLV H ATOM 7085 H2 TIP3 1685 16.005 52.403 12.735 1.00 0.00 SOLV H ATOM 7086 OH2 TIP3 1686 18.456 46.850 2.686 1.00 0.00 SOLV O ATOM 7087 H1 TIP3 1686 17.932 47.125 1.904 1.00 0.00 SOLV H ATOM 7088 H2 TIP3 1686 18.161 47.528 3.332 1.00 0.00 SOLV H ATOM 7089 OH2 TIP3 1687 16.896 44.054 1.395 1.00 0.00 SOLV O ATOM 7090 H1 TIP3 1687 16.484 44.718 0.833 1.00 0.00 SOLV H ATOM 7091 H2 TIP3 1687 16.460 43.230 1.101 1.00 0.00 SOLV H ATOM 7092 OH2 TIP3 1688 15.840 45.651 6.994 1.00 0.00 SOLV O ATOM 7093 H1 TIP3 1688 15.777 44.727 6.705 1.00 0.00 SOLV H ATOM 7094 H2 TIP3 1688 15.433 45.615 7.890 1.00 0.00 SOLV H ATOM 7095 OH2 TIP3 1689 1.022 48.376 11.257 1.00 0.00 SOLV O ATOM 7096 H1 TIP3 1689 1.166 48.140 10.321 1.00 0.00 SOLV H ATOM 7097 H2 TIP3 1689 1.762 47.881 11.666 1.00 0.00 SOLV H ATOM 7098 OH2 TIP3 1690 16.865 47.494 16.808 1.00 0.00 SOLV O ATOM 7099 H1 TIP3 1690 17.466 46.735 16.643 1.00 0.00 SOLV H ATOM 7100 H2 TIP3 1690 17.344 48.233 16.398 1.00 0.00 SOLV H ATOM 7101 OH2 TIP3 1691 18.282 45.162 16.637 1.00 0.00 SOLV O ATOM 7102 H1 TIP3 1691 17.389 44.780 16.784 1.00 0.00 SOLV H ATOM 7103 H2 TIP3 1691 18.838 44.391 16.876 1.00 0.00 SOLV H ATOM 7104 OH2 TIP3 1692 15.732 41.763 0.500 1.00 0.00 SOLV O ATOM 7105 H1 TIP3 1692 16.194 41.087 1.027 1.00 0.00 SOLV H ATOM 7106 H2 TIP3 1692 14.802 41.610 0.759 1.00 0.00 SOLV H ATOM 7107 OH2 TIP3 1693 15.768 43.128 5.272 1.00 0.00 SOLV O ATOM 7108 H1 TIP3 1693 16.008 42.171 5.277 1.00 0.00 SOLV H ATOM 7109 H2 TIP3 1693 16.568 43.503 4.864 1.00 0.00 SOLV H ATOM 7110 OH2 TIP3 1694 16.086 43.392 10.769 1.00 0.00 SOLV O ATOM 7111 H1 TIP3 1694 17.045 43.541 10.608 1.00 0.00 SOLV H ATOM 7112 H2 TIP3 1694 16.057 43.593 11.725 1.00 0.00 SOLV H ATOM 7113 OH2 TIP3 1695 16.422 44.297 13.433 1.00 0.00 SOLV O ATOM 7114 H1 TIP3 1695 15.605 44.668 13.815 1.00 0.00 SOLV H ATOM 7115 H2 TIP3 1695 16.956 45.110 13.293 1.00 0.00 SOLV H ATOM 7116 OH2 TIP3 1696 0.907 43.443 17.636 1.00 0.00 SOLV O ATOM 7117 H1 TIP3 1696 1.690 42.851 17.671 1.00 0.00 SOLV H ATOM 7118 H2 TIP3 1696 0.234 42.802 17.336 1.00 0.00 SOLV H ATOM 7119 OH2 TIP3 1697 18.647 38.500 18.789 1.00 0.00 SOLV O ATOM 7120 H1 TIP3 1697 19.269 37.860 18.379 1.00 0.00 SOLV H ATOM 7121 H2 TIP3 1697 18.583 39.185 18.086 1.00 0.00 SOLV H ATOM 7122 OH2 TIP3 1698 16.352 40.432 5.320 1.00 0.00 SOLV O ATOM 7123 H1 TIP3 1698 16.524 40.005 6.185 1.00 0.00 SOLV H ATOM 7124 H2 TIP3 1698 15.651 39.837 4.973 1.00 0.00 SOLV H ATOM 7125 OH2 TIP3 1699 1.592 41.190 9.981 1.00 0.00 SOLV O ATOM 7126 H1 TIP3 1699 2.061 40.330 10.021 1.00 0.00 SOLV H ATOM 7127 H2 TIP3 1699 2.314 41.796 10.213 1.00 0.00 SOLV H ATOM 7128 OH2 TIP3 1700 0.402 45.512 10.867 1.00 0.00 SOLV O ATOM 7129 H1 TIP3 1700 0.707 45.230 9.988 1.00 0.00 SOLV H ATOM 7130 H2 TIP3 1700 1.213 45.936 11.203 1.00 0.00 SOLV H ATOM 7131 OH2 TIP3 1701 18.012 40.339 16.916 1.00 0.00 SOLV O ATOM 7132 H1 TIP3 1701 17.235 40.933 16.994 1.00 0.00 SOLV H ATOM 7133 H2 TIP3 1701 17.735 39.821 16.133 1.00 0.00 SOLV H ATOM 7134 OH2 TIP3 1702 18.012 40.302 1.998 1.00 0.00 SOLV O ATOM 7135 H1 TIP3 1702 18.248 40.453 1.049 1.00 0.00 SOLV H ATOM 7136 H2 TIP3 1702 18.666 40.888 2.422 1.00 0.00 SOLV H ATOM 7137 OH2 TIP3 1703 1.194 39.689 4.997 1.00 0.00 SOLV O ATOM 7138 H1 TIP3 1703 0.230 39.790 5.048 1.00 0.00 SOLV H ATOM 7139 H2 TIP3 1703 1.427 40.530 4.559 1.00 0.00 SOLV H ATOM 7140 OH2 TIP3 1704 15.256 55.368 7.084 1.00 0.00 SOLV O ATOM 7141 H1 TIP3 1704 15.975 55.373 6.420 1.00 0.00 SOLV H ATOM 7142 H2 TIP3 1704 15.662 55.834 7.833 1.00 0.00 SOLV H ATOM 7143 OH2 TIP3 1705 0.603 39.043 13.351 1.00 0.00 SOLV O ATOM 7144 H1 TIP3 1705 -0.300 38.836 13.655 1.00 0.00 SOLV H ATOM 7145 H2 TIP3 1705 0.437 39.725 12.691 1.00 0.00 SOLV H ATOM 7146 OH2 TIP3 1706 2.382 52.707 17.572 1.00 0.00 SOLV O ATOM 7147 H1 TIP3 1706 2.148 51.967 16.992 1.00 0.00 SOLV H ATOM 7148 H2 TIP3 1706 2.070 52.383 18.444 1.00 0.00 SOLV H ATOM 7149 OH2 TIP3 1707 5.662 53.489 13.753 1.00 0.00 SOLV O ATOM 7150 H1 TIP3 1707 5.415 54.399 13.481 1.00 0.00 SOLV H ATOM 7151 H2 TIP3 1707 6.620 53.543 13.543 1.00 0.00 SOLV H ATOM 7152 OH2 TIP3 1708 9.684 54.650 16.585 1.00 0.00 SOLV O ATOM 7153 H1 TIP3 1708 9.839 54.374 17.515 1.00 0.00 SOLV H ATOM 7154 H2 TIP3 1708 10.514 55.142 16.406 1.00 0.00 SOLV H ATOM 7155 OH2 TIP3 1709 11.990 56.085 16.172 1.00 0.00 SOLV O ATOM 7156 H1 TIP3 1709 12.705 55.556 15.791 1.00 0.00 SOLV H ATOM 7157 H2 TIP3 1709 12.423 56.415 16.991 1.00 0.00 SOLV H ATOM 7158 OH2 TIP3 1710 17.118 38.481 15.024 1.00 0.00 SOLV O ATOM 7159 H1 TIP3 1710 16.352 38.604 14.436 1.00 0.00 SOLV H ATOM 7160 H2 TIP3 1710 17.363 37.549 14.817 1.00 0.00 SOLV H ATOM 7161 OH2 TIP3 1711 2.820 56.335 13.896 1.00 0.00 SOLV O ATOM 7162 H1 TIP3 1711 2.032 56.745 13.471 1.00 0.00 SOLV H ATOM 7163 H2 TIP3 1711 2.805 56.781 14.757 1.00 0.00 SOLV H ATOM 7164 OH2 TIP3 1712 5.416 56.101 13.019 1.00 0.00 SOLV O ATOM 7165 H1 TIP3 1712 4.471 56.247 13.255 1.00 0.00 SOLV H ATOM 7166 H2 TIP3 1712 5.481 56.584 12.171 1.00 0.00 SOLV H ATOM 7167 OH2 TIP3 1713 9.989 55.858 12.153 1.00 0.00 SOLV O ATOM 7168 H1 TIP3 1713 9.516 56.275 11.410 1.00 0.00 SOLV H ATOM 7169 H2 TIP3 1713 10.100 56.612 12.769 1.00 0.00 SOLV H ATOM 7170 OH2 TIP3 1714 12.332 54.649 13.160 1.00 0.00 SOLV O ATOM 7171 H1 TIP3 1714 11.522 55.054 12.790 1.00 0.00 SOLV H ATOM 7172 H2 TIP3 1714 12.998 55.328 12.960 1.00 0.00 SOLV H ATOM 7173 OH2 TIP3 1715 14.754 56.269 13.178 1.00 0.00 SOLV O ATOM 7174 H1 TIP3 1715 14.896 57.202 12.910 1.00 0.00 SOLV H ATOM 7175 H2 TIP3 1715 15.151 55.787 12.417 1.00 0.00 SOLV H ATOM 7176 OH2 TIP3 1716 2.455 55.198 10.623 1.00 0.00 SOLV O ATOM 7177 H1 TIP3 1716 2.065 54.676 11.350 1.00 0.00 SOLV H ATOM 7178 H2 TIP3 1716 3.221 54.636 10.385 1.00 0.00 SOLV H ATOM 7179 OH2 TIP3 1717 4.532 53.794 9.561 1.00 0.00 SOLV O ATOM 7180 H1 TIP3 1717 4.361 52.871 9.872 1.00 0.00 SOLV H ATOM 7181 H2 TIP3 1717 5.452 53.923 9.870 1.00 0.00 SOLV H ATOM 7182 OH2 TIP3 1718 7.139 54.104 10.500 1.00 0.00 SOLV O ATOM 7183 H1 TIP3 1718 7.266 53.157 10.278 1.00 0.00 SOLV H ATOM 7184 H2 TIP3 1718 7.455 54.086 11.425 1.00 0.00 SOLV H ATOM 7185 OH2 TIP3 1719 10.477 39.924 9.462 1.00 0.00 SOLV O ATOM 7186 H1 TIP3 1719 9.850 39.200 9.634 1.00 0.00 SOLV H ATOM 7187 H2 TIP3 1719 11.249 39.454 9.091 1.00 0.00 SOLV H ATOM 7188 OH2 TIP3 1720 15.490 38.071 9.416 1.00 0.00 SOLV O ATOM 7189 H1 TIP3 1720 16.092 38.645 8.893 1.00 0.00 SOLV H ATOM 7190 H2 TIP3 1720 14.618 38.448 9.191 1.00 0.00 SOLV H ATOM 7191 OH2 TIP3 1721 17.221 39.172 7.618 1.00 0.00 SOLV O ATOM 7192 H1 TIP3 1721 17.975 38.610 7.349 1.00 0.00 SOLV H ATOM 7193 H2 TIP3 1721 17.696 40.015 7.806 1.00 0.00 SOLV H ATOM 7194 OH2 TIP3 1722 2.922 38.540 7.061 1.00 0.00 SOLV O ATOM 7195 H1 TIP3 1722 2.243 38.616 6.365 1.00 0.00 SOLV H ATOM 7196 H2 TIP3 1722 3.200 37.598 6.973 1.00 0.00 SOLV H ATOM 7197 OH2 TIP3 1723 1.817 38.090 2.803 1.00 0.00 SOLV O ATOM 7198 H1 TIP3 1723 2.378 38.788 2.395 1.00 0.00 SOLV H ATOM 7199 H2 TIP3 1723 1.615 38.530 3.658 1.00 0.00 SOLV H ATOM 7200 OH2 TIP3 1724 7.506 38.263 7.088 1.00 0.00 SOLV O ATOM 7201 H1 TIP3 1724 8.288 38.697 6.711 1.00 0.00 SOLV H ATOM 7202 H2 TIP3 1724 7.657 38.357 8.041 1.00 0.00 SOLV H ATOM 7203 OH2 TIP3 1725 12.857 38.673 8.519 1.00 0.00 SOLV O ATOM 7204 H1 TIP3 1725 13.072 38.390 7.620 1.00 0.00 SOLV H ATOM 7205 H2 TIP3 1725 12.532 37.830 8.915 1.00 0.00 SOLV H ATOM 7206 OH2 TIP3 1726 14.341 38.752 4.400 1.00 0.00 SOLV O ATOM 7207 H1 TIP3 1726 13.509 39.258 4.411 1.00 0.00 SOLV H ATOM 7208 H2 TIP3 1726 13.996 37.850 4.581 1.00 0.00 SOLV H ATOM 7209 OH2 TIP3 1727 1.612 54.692 3.659 1.00 0.00 SOLV O ATOM 7210 H1 TIP3 1727 0.972 54.078 3.273 1.00 0.00 SOLV H ATOM 7211 H2 TIP3 1727 1.065 55.283 4.191 1.00 0.00 SOLV H ATOM 7212 OH2 TIP3 1728 3.582 39.975 1.924 1.00 0.00 SOLV O ATOM 7213 H1 TIP3 1728 3.897 39.727 1.047 1.00 0.00 SOLV H ATOM 7214 H2 TIP3 1728 4.402 40.323 2.335 1.00 0.00 SOLV H ATOM 7215 OH2 TIP3 1729 8.517 40.745 3.887 1.00 0.00 SOLV O ATOM 7216 H1 TIP3 1729 8.836 40.072 4.517 1.00 0.00 SOLV H ATOM 7217 H2 TIP3 1729 8.725 41.555 4.405 1.00 0.00 SOLV H ATOM 7218 OH2 TIP3 1730 10.333 56.054 1.946 1.00 0.00 SOLV O ATOM 7219 H1 TIP3 1730 11.314 56.045 2.060 1.00 0.00 SOLV H ATOM 7220 H2 TIP3 1730 10.235 55.141 1.584 1.00 0.00 SOLV H ATOM 7221 OH2 TIP3 1731 17.251 55.237 5.148 1.00 0.00 SOLV O ATOM 7222 H1 TIP3 1731 17.065 54.319 4.833 1.00 0.00 SOLV H ATOM 7223 H2 TIP3 1731 17.015 55.752 4.350 1.00 0.00 SOLV H ATOM 7224 OH2 TIP3 1732 2.757 39.195 16.641 1.00 0.00 SOLV O ATOM 7225 H1 TIP3 1732 2.184 38.427 16.859 1.00 0.00 SOLV H ATOM 7226 H2 TIP3 1732 3.575 38.921 17.107 1.00 0.00 SOLV H ATOM 7227 OH2 TIP3 1733 4.886 38.476 18.330 1.00 0.00 SOLV O ATOM 7228 H1 TIP3 1733 5.754 38.127 18.062 1.00 0.00 SOLV H ATOM 7229 H2 TIP3 1733 4.488 37.688 18.762 1.00 0.00 SOLV H ATOM 7230 OH2 TIP3 1734 2.998 55.209 1.050 1.00 0.00 SOLV O ATOM 7231 H1 TIP3 1734 2.616 55.020 1.926 1.00 0.00 SOLV H ATOM 7232 H2 TIP3 1734 3.943 55.109 1.222 1.00 0.00 SOLV H ATOM 7233 OH2 TIP3 1735 13.459 37.922 18.425 1.00 0.00 SOLV O ATOM 7234 H1 TIP3 1735 13.328 37.426 19.260 1.00 0.00 SOLV H ATOM 7235 H2 TIP3 1735 14.410 37.760 18.248 1.00 0.00 SOLV H ATOM 7236 OH2 TIP3 1736 16.229 53.875 17.128 1.00 0.00 SOLV O ATOM 7237 H1 TIP3 1736 15.594 53.864 16.382 1.00 0.00 SOLV H ATOM 7238 H2 TIP3 1736 16.167 54.813 17.401 1.00 0.00 SOLV H ATOM 7239 OH2 TIP3 1737 30.912 47.815 6.952 1.00 0.00 SOLV O ATOM 7240 H1 TIP3 1737 30.750 48.781 6.883 1.00 0.00 SOLV H ATOM 7241 H2 TIP3 1737 30.212 47.493 6.357 1.00 0.00 SOLV H ATOM 7242 OH2 TIP3 1738 29.820 47.084 10.731 1.00 0.00 SOLV O ATOM 7243 H1 TIP3 1738 29.941 46.666 11.610 1.00 0.00 SOLV H ATOM 7244 H2 TIP3 1738 29.367 46.377 10.246 1.00 0.00 SOLV H ATOM 7245 OH2 TIP3 1739 21.943 46.627 12.164 1.00 0.00 SOLV O ATOM 7246 H1 TIP3 1739 21.967 45.781 12.649 1.00 0.00 SOLV H ATOM 7247 H2 TIP3 1739 22.785 47.018 12.432 1.00 0.00 SOLV H ATOM 7248 OH2 TIP3 1740 33.508 50.110 9.008 1.00 0.00 SOLV O ATOM 7249 H1 TIP3 1740 33.025 49.414 9.477 1.00 0.00 SOLV H ATOM 7250 H2 TIP3 1740 33.752 50.716 9.729 1.00 0.00 SOLV H ATOM 7251 OH2 TIP3 1741 23.129 51.232 10.386 1.00 0.00 SOLV O ATOM 7252 H1 TIP3 1741 22.906 50.309 10.143 1.00 0.00 SOLV H ATOM 7253 H2 TIP3 1741 24.084 51.146 10.567 1.00 0.00 SOLV H ATOM 7254 OH2 TIP3 1742 19.839 44.514 5.811 1.00 0.00 SOLV O ATOM 7255 H1 TIP3 1742 19.430 45.338 6.135 1.00 0.00 SOLV H ATOM 7256 H2 TIP3 1742 19.231 44.318 5.070 1.00 0.00 SOLV H ATOM 7257 OH2 TIP3 1743 20.186 46.836 8.400 1.00 0.00 SOLV O ATOM 7258 H1 TIP3 1743 20.510 45.932 8.611 1.00 0.00 SOLV H ATOM 7259 H2 TIP3 1743 21.008 47.308 8.204 1.00 0.00 SOLV H ATOM 7260 OH2 TIP3 1744 30.763 55.170 9.412 1.00 0.00 SOLV O ATOM 7261 H1 TIP3 1744 31.138 54.536 8.768 1.00 0.00 SOLV H ATOM 7262 H2 TIP3 1744 30.345 54.576 10.047 1.00 0.00 SOLV H ATOM 7263 OH2 TIP3 1745 28.067 49.554 11.130 1.00 0.00 SOLV O ATOM 7264 H1 TIP3 1745 28.514 48.813 10.683 1.00 0.00 SOLV H ATOM 7265 H2 TIP3 1745 28.811 49.835 11.707 1.00 0.00 SOLV H ATOM 7266 OH2 TIP3 1746 36.868 40.999 11.949 1.00 0.00 SOLV O ATOM 7267 H1 TIP3 1746 37.144 41.675 12.602 1.00 0.00 SOLV H ATOM 7268 H2 TIP3 1746 37.383 41.270 11.167 1.00 0.00 SOLV H ATOM 7269 OH2 TIP3 1747 31.239 43.837 11.143 1.00 0.00 SOLV O ATOM 7270 H1 TIP3 1747 31.516 42.910 11.262 1.00 0.00 SOLV H ATOM 7271 H2 TIP3 1747 31.156 43.883 10.171 1.00 0.00 SOLV H ATOM 7272 OH2 TIP3 1748 24.683 41.922 8.523 1.00 0.00 SOLV O ATOM 7273 H1 TIP3 1748 24.753 42.800 8.090 1.00 0.00 SOLV H ATOM 7274 H2 TIP3 1748 24.168 41.436 7.846 1.00 0.00 SOLV H ATOM 7275 OH2 TIP3 1749 32.430 42.206 6.761 1.00 0.00 SOLV O ATOM 7276 H1 TIP3 1749 32.901 41.840 7.547 1.00 0.00 SOLV H ATOM 7277 H2 TIP3 1749 33.186 42.577 6.266 1.00 0.00 SOLV H ATOM 7278 OH2 TIP3 1750 21.075 44.366 9.176 1.00 0.00 SOLV O ATOM 7279 H1 TIP3 1750 21.718 43.955 9.784 1.00 0.00 SOLV H ATOM 7280 H2 TIP3 1750 21.376 43.979 8.326 1.00 0.00 SOLV H ATOM 7281 OH2 TIP3 1751 26.073 45.826 8.783 1.00 0.00 SOLV O ATOM 7282 H1 TIP3 1751 26.923 45.401 9.031 1.00 0.00 SOLV H ATOM 7283 H2 TIP3 1751 25.681 45.158 8.182 1.00 0.00 SOLV H ATOM 7284 OH2 TIP3 1752 37.370 42.567 14.213 1.00 0.00 SOLV O ATOM 7285 H1 TIP3 1752 36.697 43.230 13.957 1.00 0.00 SOLV H ATOM 7286 H2 TIP3 1752 37.208 42.518 15.166 1.00 0.00 SOLV H ATOM 7287 OH2 TIP3 1753 23.342 40.952 12.586 1.00 0.00 SOLV O ATOM 7288 H1 TIP3 1753 23.056 41.572 11.889 1.00 0.00 SOLV H ATOM 7289 H2 TIP3 1753 22.623 41.085 13.240 1.00 0.00 SOLV H ATOM 7290 OH2 TIP3 1754 30.260 50.327 6.029 1.00 0.00 SOLV O ATOM 7291 H1 TIP3 1754 30.378 50.619 5.114 1.00 0.00 SOLV H ATOM 7292 H2 TIP3 1754 29.914 51.151 6.436 1.00 0.00 SOLV H ATOM 7293 OH2 TIP3 1755 25.987 48.641 12.622 1.00 0.00 SOLV O ATOM 7294 H1 TIP3 1755 25.473 49.393 12.991 1.00 0.00 SOLV H ATOM 7295 H2 TIP3 1755 26.699 49.109 12.133 1.00 0.00 SOLV H ATOM 7296 OH2 TIP3 1756 33.740 41.604 9.067 1.00 0.00 SOLV O ATOM 7297 H1 TIP3 1756 33.228 41.190 9.776 1.00 0.00 SOLV H ATOM 7298 H2 TIP3 1756 34.304 42.224 9.577 1.00 0.00 SOLV H ATOM 7299 OH2 TIP3 1757 22.919 42.720 10.494 1.00 0.00 SOLV O ATOM 7300 H1 TIP3 1757 23.515 43.282 11.043 1.00 0.00 SOLV H ATOM 7301 H2 TIP3 1757 23.564 42.393 9.827 1.00 0.00 SOLV H ATOM 7302 OH2 TIP3 1758 24.416 50.703 13.693 1.00 0.00 SOLV O ATOM 7303 H1 TIP3 1758 24.395 51.672 13.544 1.00 0.00 SOLV H ATOM 7304 H2 TIP3 1758 23.481 50.567 13.960 1.00 0.00 SOLV H ATOM 7305 OH2 TIP3 1759 20.151 50.328 4.361 1.00 0.00 SOLV O ATOM 7306 H1 TIP3 1759 20.052 50.814 3.517 1.00 0.00 SOLV H ATOM 7307 H2 TIP3 1759 20.481 51.044 4.947 1.00 0.00 SOLV H ATOM 7308 OH2 TIP3 1760 33.966 52.080 11.155 1.00 0.00 SOLV O ATOM 7309 H1 TIP3 1760 32.993 52.085 11.308 1.00 0.00 SOLV H ATOM 7310 H2 TIP3 1760 34.124 53.019 10.931 1.00 0.00 SOLV H ATOM 7311 OH2 TIP3 1761 34.314 40.052 12.713 1.00 0.00 SOLV O ATOM 7312 H1 TIP3 1761 33.641 40.584 12.258 1.00 0.00 SOLV H ATOM 7313 H2 TIP3 1761 35.146 40.398 12.321 1.00 0.00 SOLV H ATOM 7314 OH2 TIP3 1762 26.998 38.019 10.028 1.00 0.00 SOLV O ATOM 7315 H1 TIP3 1762 26.649 37.107 10.004 1.00 0.00 SOLV H ATOM 7316 H2 TIP3 1762 26.227 38.494 10.410 1.00 0.00 SOLV H ATOM 7317 OH2 TIP3 1763 32.022 53.698 7.372 1.00 0.00 SOLV O ATOM 7318 H1 TIP3 1763 32.422 52.821 7.150 1.00 0.00 SOLV H ATOM 7319 H2 TIP3 1763 32.842 54.247 7.380 1.00 0.00 SOLV H ATOM 7320 OH2 TIP3 1764 33.263 51.416 6.562 1.00 0.00 SOLV O ATOM 7321 H1 TIP3 1764 33.354 50.758 5.856 1.00 0.00 SOLV H ATOM 7322 H2 TIP3 1764 33.398 50.873 7.369 1.00 0.00 SOLV H ATOM 7323 OH2 TIP3 1765 35.034 50.042 14.738 1.00 0.00 SOLV O ATOM 7324 H1 TIP3 1765 34.953 49.448 13.961 1.00 0.00 SOLV H ATOM 7325 H2 TIP3 1765 35.120 50.921 14.312 1.00 0.00 SOLV H ATOM 7326 OH2 TIP3 1766 29.475 46.979 4.737 1.00 0.00 SOLV O ATOM 7327 H1 TIP3 1766 28.882 47.723 4.505 1.00 0.00 SOLV H ATOM 7328 H2 TIP3 1766 30.116 46.998 4.003 1.00 0.00 SOLV H ATOM 7329 OH2 TIP3 1767 29.612 45.366 1.206 1.00 0.00 SOLV O ATOM 7330 H1 TIP3 1767 30.254 45.738 1.836 1.00 0.00 SOLV H ATOM 7331 H2 TIP3 1767 30.178 44.813 0.638 1.00 0.00 SOLV H ATOM 7332 OH2 TIP3 1768 36.851 46.576 13.003 1.00 0.00 SOLV O ATOM 7333 H1 TIP3 1768 36.087 47.190 12.946 1.00 0.00 SOLV H ATOM 7334 H2 TIP3 1768 37.388 46.902 12.249 1.00 0.00 SOLV H ATOM 7335 OH2 TIP3 1769 33.036 47.197 5.364 1.00 0.00 SOLV O ATOM 7336 H1 TIP3 1769 32.345 47.404 6.038 1.00 0.00 SOLV H ATOM 7337 H2 TIP3 1769 33.699 46.744 5.926 1.00 0.00 SOLV H ATOM 7338 OH2 TIP3 1770 32.752 45.246 14.758 1.00 0.00 SOLV O ATOM 7339 H1 TIP3 1770 32.763 45.904 15.490 1.00 0.00 SOLV H ATOM 7340 H2 TIP3 1770 32.098 45.656 14.163 1.00 0.00 SOLV H ATOM 7341 OH2 TIP3 1771 24.553 47.797 7.544 1.00 0.00 SOLV O ATOM 7342 H1 TIP3 1771 24.327 47.450 6.656 1.00 0.00 SOLV H ATOM 7343 H2 TIP3 1771 25.133 47.093 7.904 1.00 0.00 SOLV H ATOM 7344 OH2 TIP3 1772 25.980 51.294 10.164 1.00 0.00 SOLV O ATOM 7345 H1 TIP3 1772 26.059 51.263 9.197 1.00 0.00 SOLV H ATOM 7346 H2 TIP3 1772 26.712 50.710 10.452 1.00 0.00 SOLV H ATOM 7347 OH2 TIP3 1773 24.802 46.666 11.114 1.00 0.00 SOLV O ATOM 7348 H1 TIP3 1773 25.350 46.485 10.319 1.00 0.00 SOLV H ATOM 7349 H2 TIP3 1773 25.316 47.365 11.572 1.00 0.00 SOLV H ATOM 7350 OH2 TIP3 1774 31.346 52.187 11.795 1.00 0.00 SOLV O ATOM 7351 H1 TIP3 1774 31.182 52.899 12.442 1.00 0.00 SOLV H ATOM 7352 H2 TIP3 1774 30.890 51.419 12.192 1.00 0.00 SOLV H ATOM 7353 OH2 TIP3 1775 26.082 51.081 15.842 1.00 0.00 SOLV O ATOM 7354 H1 TIP3 1775 25.437 51.690 16.266 1.00 0.00 SOLV H ATOM 7355 H2 TIP3 1775 25.557 50.796 15.065 1.00 0.00 SOLV H ATOM 7356 OH2 TIP3 1776 31.686 46.457 3.073 1.00 0.00 SOLV O ATOM 7357 H1 TIP3 1776 32.193 46.830 3.831 1.00 0.00 SOLV H ATOM 7358 H2 TIP3 1776 32.230 46.804 2.322 1.00 0.00 SOLV H ATOM 7359 OH2 TIP3 1777 22.832 46.971 15.280 1.00 0.00 SOLV O ATOM 7360 H1 TIP3 1777 22.918 47.787 15.814 1.00 0.00 SOLV H ATOM 7361 H2 TIP3 1777 21.862 46.962 15.136 1.00 0.00 SOLV H ATOM 7362 OH2 TIP3 1778 29.530 52.881 6.707 1.00 0.00 SOLV O ATOM 7363 H1 TIP3 1778 30.419 53.196 6.974 1.00 0.00 SOLV H ATOM 7364 H2 TIP3 1778 29.214 53.613 6.161 1.00 0.00 SOLV H ATOM 7365 OH2 TIP3 1779 24.065 52.843 16.544 1.00 0.00 SOLV O ATOM 7366 H1 TIP3 1779 24.007 53.180 15.629 1.00 0.00 SOLV H ATOM 7367 H2 TIP3 1779 23.117 52.726 16.780 1.00 0.00 SOLV H ATOM 7368 OH2 TIP3 1780 35.579 38.072 2.995 1.00 0.00 SOLV O ATOM 7369 H1 TIP3 1780 34.695 38.385 3.273 1.00 0.00 SOLV H ATOM 7370 H2 TIP3 1780 35.989 38.909 2.677 1.00 0.00 SOLV H ATOM 7371 OH2 TIP3 1781 23.701 47.018 4.918 1.00 0.00 SOLV O ATOM 7372 H1 TIP3 1781 23.171 47.674 4.416 1.00 0.00 SOLV H ATOM 7373 H2 TIP3 1781 23.152 46.231 4.841 1.00 0.00 SOLV H ATOM 7374 OH2 TIP3 1782 36.714 52.650 1.661 1.00 0.00 SOLV O ATOM 7375 H1 TIP3 1782 37.084 53.531 1.490 1.00 0.00 SOLV H ATOM 7376 H2 TIP3 1782 37.507 52.081 1.613 1.00 0.00 SOLV H ATOM 7377 OH2 TIP3 1783 19.564 49.360 13.979 1.00 0.00 SOLV O ATOM 7378 H1 TIP3 1783 19.056 49.459 13.145 1.00 0.00 SOLV H ATOM 7379 H2 TIP3 1783 19.764 48.404 14.000 1.00 0.00 SOLV H ATOM 7380 OH2 TIP3 1784 19.474 52.191 10.590 1.00 0.00 SOLV O ATOM 7381 H1 TIP3 1784 20.409 52.005 10.758 1.00 0.00 SOLV H ATOM 7382 H2 TIP3 1784 19.285 52.853 11.274 1.00 0.00 SOLV H ATOM 7383 OH2 TIP3 1785 37.655 52.858 16.707 1.00 0.00 SOLV O ATOM 7384 H1 TIP3 1785 37.449 51.907 16.649 1.00 0.00 SOLV H ATOM 7385 H2 TIP3 1785 36.773 53.207 16.972 1.00 0.00 SOLV H ATOM 7386 OH2 TIP3 1786 28.471 52.230 15.239 1.00 0.00 SOLV O ATOM 7387 H1 TIP3 1786 28.446 53.070 15.748 1.00 0.00 SOLV H ATOM 7388 H2 TIP3 1786 27.600 51.844 15.484 1.00 0.00 SOLV H ATOM 7389 OH2 TIP3 1787 29.271 55.867 5.082 1.00 0.00 SOLV O ATOM 7390 H1 TIP3 1787 29.050 56.011 4.147 1.00 0.00 SOLV H ATOM 7391 H2 TIP3 1787 29.001 56.711 5.491 1.00 0.00 SOLV H ATOM 7392 OH2 TIP3 1788 22.644 54.765 7.086 1.00 0.00 SOLV O ATOM 7393 H1 TIP3 1788 22.829 54.446 7.997 1.00 0.00 SOLV H ATOM 7394 H2 TIP3 1788 22.122 54.027 6.725 1.00 0.00 SOLV H ATOM 7395 OH2 TIP3 1789 31.803 55.378 2.179 1.00 0.00 SOLV O ATOM 7396 H1 TIP3 1789 32.379 54.746 1.699 1.00 0.00 SOLV H ATOM 7397 H2 TIP3 1789 32.028 55.180 3.108 1.00 0.00 SOLV H ATOM 7398 OH2 TIP3 1790 31.906 55.218 4.923 1.00 0.00 SOLV O ATOM 7399 H1 TIP3 1790 30.938 55.346 5.026 1.00 0.00 SOLV H ATOM 7400 H2 TIP3 1790 32.097 54.620 5.667 1.00 0.00 SOLV H ATOM 7401 OH2 TIP3 1791 34.767 44.112 16.686 1.00 0.00 SOLV O ATOM 7402 H1 TIP3 1791 34.003 44.435 16.189 1.00 0.00 SOLV H ATOM 7403 H2 TIP3 1791 34.766 43.159 16.482 1.00 0.00 SOLV H ATOM 7404 OH2 TIP3 1792 21.844 50.744 14.654 1.00 0.00 SOLV O ATOM 7405 H1 TIP3 1792 22.042 50.365 15.531 1.00 0.00 SOLV H ATOM 7406 H2 TIP3 1792 21.011 50.283 14.422 1.00 0.00 SOLV H ATOM 7407 OH2 TIP3 1793 24.554 39.026 10.974 1.00 0.00 SOLV O ATOM 7408 H1 TIP3 1793 23.767 38.990 10.392 1.00 0.00 SOLV H ATOM 7409 H2 TIP3 1793 24.278 39.754 11.569 1.00 0.00 SOLV H ATOM 7410 OH2 TIP3 1794 29.316 38.681 14.317 1.00 0.00 SOLV O ATOM 7411 H1 TIP3 1794 29.779 38.193 15.026 1.00 0.00 SOLV H ATOM 7412 H2 TIP3 1794 28.375 38.602 14.573 1.00 0.00 SOLV H ATOM 7413 OH2 TIP3 1795 32.260 42.562 14.995 1.00 0.00 SOLV O ATOM 7414 H1 TIP3 1795 31.559 42.521 15.687 1.00 0.00 SOLV H ATOM 7415 H2 TIP3 1795 32.331 43.527 14.833 1.00 0.00 SOLV H ATOM 7416 OH2 TIP3 1796 33.243 47.321 1.045 1.00 0.00 SOLV O ATOM 7417 H1 TIP3 1796 32.971 47.532 0.128 1.00 0.00 SOLV H ATOM 7418 H2 TIP3 1796 34.186 47.573 1.005 1.00 0.00 SOLV H ATOM 7419 OH2 TIP3 1797 28.937 41.283 1.710 1.00 0.00 SOLV O ATOM 7420 H1 TIP3 1797 28.384 41.071 2.487 1.00 0.00 SOLV H ATOM 7421 H2 TIP3 1797 28.351 41.075 0.976 1.00 0.00 SOLV H ATOM 7422 OH2 TIP3 1798 24.592 44.149 12.133 1.00 0.00 SOLV O ATOM 7423 H1 TIP3 1798 23.926 44.267 12.843 1.00 0.00 SOLV H ATOM 7424 H2 TIP3 1798 24.679 45.072 11.803 1.00 0.00 SOLV H ATOM 7425 OH2 TIP3 1799 24.637 44.210 7.086 1.00 0.00 SOLV O ATOM 7426 H1 TIP3 1799 23.665 44.105 6.990 1.00 0.00 SOLV H ATOM 7427 H2 TIP3 1799 24.927 43.898 6.201 1.00 0.00 SOLV H ATOM 7428 OH2 TIP3 1800 30.151 44.516 5.813 1.00 0.00 SOLV O ATOM 7429 H1 TIP3 1800 29.917 45.397 5.449 1.00 0.00 SOLV H ATOM 7430 H2 TIP3 1800 30.828 44.211 5.176 1.00 0.00 SOLV H ATOM 7431 OH2 TIP3 1801 29.236 44.752 17.026 1.00 0.00 SOLV O ATOM 7432 H1 TIP3 1801 28.811 43.999 17.484 1.00 0.00 SOLV H ATOM 7433 H2 TIP3 1801 30.066 44.832 17.526 1.00 0.00 SOLV H ATOM 7434 OH2 TIP3 1802 31.013 44.010 8.426 1.00 0.00 SOLV O ATOM 7435 H1 TIP3 1802 30.624 44.534 7.695 1.00 0.00 SOLV H ATOM 7436 H2 TIP3 1802 31.415 43.300 7.881 1.00 0.00 SOLV H ATOM 7437 OH2 TIP3 1803 22.356 44.321 13.735 1.00 0.00 SOLV O ATOM 7438 H1 TIP3 1803 22.544 44.779 14.570 1.00 0.00 SOLV H ATOM 7439 H2 TIP3 1803 21.980 43.472 14.038 1.00 0.00 SOLV H ATOM 7440 OH2 TIP3 1804 25.068 41.337 0.201 1.00 0.00 SOLV O ATOM 7441 H1 TIP3 1804 25.032 41.351 1.173 1.00 0.00 SOLV H ATOM 7442 H2 TIP3 1804 25.087 42.290 -0.010 1.00 0.00 SOLV H ATOM 7443 OH2 TIP3 1805 18.933 41.229 7.729 1.00 0.00 SOLV O ATOM 7444 H1 TIP3 1805 19.520 41.364 8.503 1.00 0.00 SOLV H ATOM 7445 H2 TIP3 1805 19.549 41.178 6.989 1.00 0.00 SOLV H ATOM 7446 OH2 TIP3 1806 19.861 42.208 2.987 1.00 0.00 SOLV O ATOM 7447 H1 TIP3 1806 20.596 42.612 2.492 1.00 0.00 SOLV H ATOM 7448 H2 TIP3 1806 19.341 43.001 3.228 1.00 0.00 SOLV H ATOM 7449 OH2 TIP3 1807 30.268 45.580 12.963 1.00 0.00 SOLV O ATOM 7450 H1 TIP3 1807 30.682 44.950 12.329 1.00 0.00 SOLV H ATOM 7451 H2 TIP3 1807 29.695 44.964 13.468 1.00 0.00 SOLV H ATOM 7452 OH2 TIP3 1808 27.466 41.573 7.880 1.00 0.00 SOLV O ATOM 7453 H1 TIP3 1808 26.574 41.672 8.268 1.00 0.00 SOLV H ATOM 7454 H2 TIP3 1808 27.992 41.278 8.646 1.00 0.00 SOLV H ATOM 7455 OH2 TIP3 1809 22.065 43.383 6.803 1.00 0.00 SOLV O ATOM 7456 H1 TIP3 1809 21.256 43.706 6.334 1.00 0.00 SOLV H ATOM 7457 H2 TIP3 1809 22.192 42.488 6.437 1.00 0.00 SOLV H ATOM 7458 OH2 TIP3 1810 25.378 43.199 4.687 1.00 0.00 SOLV O ATOM 7459 H1 TIP3 1810 26.349 43.277 4.808 1.00 0.00 SOLV H ATOM 7460 H2 TIP3 1810 25.193 43.844 3.965 1.00 0.00 SOLV H ATOM 7461 OH2 TIP3 1811 31.645 41.085 11.173 1.00 0.00 SOLV O ATOM 7462 H1 TIP3 1811 31.150 41.100 12.025 1.00 0.00 SOLV H ATOM 7463 H2 TIP3 1811 30.951 40.757 10.577 1.00 0.00 SOLV H ATOM 7464 OH2 TIP3 1812 24.531 44.657 2.603 1.00 0.00 SOLV O ATOM 7465 H1 TIP3 1812 23.682 44.553 2.153 1.00 0.00 SOLV H ATOM 7466 H2 TIP3 1812 25.148 44.845 1.871 1.00 0.00 SOLV H ATOM 7467 OH2 TIP3 1813 34.996 56.572 17.700 1.00 0.00 SOLV O ATOM 7468 H1 TIP3 1813 35.248 57.045 16.887 1.00 0.00 SOLV H ATOM 7469 H2 TIP3 1813 35.746 56.798 18.289 1.00 0.00 SOLV H ATOM 7470 OH2 TIP3 1814 22.663 49.218 17.024 1.00 0.00 SOLV O ATOM 7471 H1 TIP3 1814 23.331 49.245 17.736 1.00 0.00 SOLV H ATOM 7472 H2 TIP3 1814 21.841 49.228 17.554 1.00 0.00 SOLV H ATOM 7473 OH2 TIP3 1815 28.330 44.551 9.801 1.00 0.00 SOLV O ATOM 7474 H1 TIP3 1815 29.157 44.165 9.471 1.00 0.00 SOLV H ATOM 7475 H2 TIP3 1815 28.082 43.942 10.520 1.00 0.00 SOLV H ATOM 7476 OH2 TIP3 1816 23.219 40.767 6.443 1.00 0.00 SOLV O ATOM 7477 H1 TIP3 1816 22.648 39.995 6.656 1.00 0.00 SOLV H ATOM 7478 H2 TIP3 1816 23.810 40.393 5.779 1.00 0.00 SOLV H ATOM 7479 OH2 TIP3 1817 27.157 43.098 12.272 1.00 0.00 SOLV O ATOM 7480 H1 TIP3 1817 26.313 43.594 12.280 1.00 0.00 SOLV H ATOM 7481 H2 TIP3 1817 27.658 43.502 13.011 1.00 0.00 SOLV H ATOM 7482 OH2 TIP3 1818 27.677 49.020 3.985 1.00 0.00 SOLV O ATOM 7483 H1 TIP3 1818 26.927 48.580 3.532 1.00 0.00 SOLV H ATOM 7484 H2 TIP3 1818 27.262 49.229 4.858 1.00 0.00 SOLV H ATOM 7485 OH2 TIP3 1819 34.816 48.381 12.524 1.00 0.00 SOLV O ATOM 7486 H1 TIP3 1819 35.328 49.001 11.968 1.00 0.00 SOLV H ATOM 7487 H2 TIP3 1819 34.035 48.191 11.958 1.00 0.00 SOLV H ATOM 7488 OH2 TIP3 1820 31.640 41.664 2.168 1.00 0.00 SOLV O ATOM 7489 H1 TIP3 1820 30.683 41.623 1.948 1.00 0.00 SOLV H ATOM 7490 H2 TIP3 1820 31.721 42.528 2.614 1.00 0.00 SOLV H ATOM 7491 OH2 TIP3 1821 29.076 49.374 15.147 1.00 0.00 SOLV O ATOM 7492 H1 TIP3 1821 29.408 49.076 16.006 1.00 0.00 SOLV H ATOM 7493 H2 TIP3 1821 28.886 50.314 15.303 1.00 0.00 SOLV H ATOM 7494 OH2 TIP3 1822 32.122 43.815 3.927 1.00 0.00 SOLV O ATOM 7495 H1 TIP3 1822 33.015 43.713 4.309 1.00 0.00 SOLV H ATOM 7496 H2 TIP3 1822 32.138 44.734 3.591 1.00 0.00 SOLV H ATOM 7497 OH2 TIP3 1823 22.938 48.536 9.665 1.00 0.00 SOLV O ATOM 7498 H1 TIP3 1823 23.513 48.361 8.891 1.00 0.00 SOLV H ATOM 7499 H2 TIP3 1823 23.224 47.841 10.278 1.00 0.00 SOLV H ATOM 7500 OH2 TIP3 1824 29.831 50.515 3.152 1.00 0.00 SOLV O ATOM 7501 H1 TIP3 1824 29.458 51.414 3.324 1.00 0.00 SOLV H ATOM 7502 H2 TIP3 1824 29.087 49.959 3.477 1.00 0.00 SOLV H ATOM 7503 OH2 TIP3 1825 20.072 46.765 15.033 1.00 0.00 SOLV O ATOM 7504 H1 TIP3 1825 19.902 46.428 15.934 1.00 0.00 SOLV H ATOM 7505 H2 TIP3 1825 19.343 46.351 14.540 1.00 0.00 SOLV H ATOM 7506 OH2 TIP3 1826 27.075 46.523 17.263 1.00 0.00 SOLV O ATOM 7507 H1 TIP3 1826 26.531 46.171 16.543 1.00 0.00 SOLV H ATOM 7508 H2 TIP3 1826 27.931 46.078 17.090 1.00 0.00 SOLV H ATOM 7509 OH2 TIP3 1827 31.252 51.786 15.165 1.00 0.00 SOLV O ATOM 7510 H1 TIP3 1827 30.301 51.975 15.062 1.00 0.00 SOLV H ATOM 7511 H2 TIP3 1827 31.401 52.115 16.077 1.00 0.00 SOLV H ATOM 7512 OH2 TIP3 1828 36.969 44.361 3.744 1.00 0.00 SOLV O ATOM 7513 H1 TIP3 1828 36.502 44.165 2.897 1.00 0.00 SOLV H ATOM 7514 H2 TIP3 1828 37.133 45.317 3.571 1.00 0.00 SOLV H ATOM 7515 OH2 TIP3 1829 37.251 49.935 16.332 1.00 0.00 SOLV O ATOM 7516 H1 TIP3 1829 36.326 50.057 16.020 1.00 0.00 SOLV H ATOM 7517 H2 TIP3 1829 37.698 49.783 15.471 1.00 0.00 SOLV H ATOM 7518 OH2 TIP3 1830 35.522 52.807 4.107 1.00 0.00 SOLV O ATOM 7519 H1 TIP3 1830 34.882 52.096 4.239 1.00 0.00 SOLV H ATOM 7520 H2 TIP3 1830 35.837 52.643 3.192 1.00 0.00 SOLV H ATOM 7521 OH2 TIP3 1831 32.661 47.729 10.823 1.00 0.00 SOLV O ATOM 7522 H1 TIP3 1831 31.693 47.649 10.719 1.00 0.00 SOLV H ATOM 7523 H2 TIP3 1831 32.962 46.948 10.318 1.00 0.00 SOLV H ATOM 7524 OH2 TIP3 1832 25.381 52.030 7.184 1.00 0.00 SOLV O ATOM 7525 H1 TIP3 1832 25.594 52.914 6.828 1.00 0.00 SOLV H ATOM 7526 H2 TIP3 1832 24.422 52.015 7.095 1.00 0.00 SOLV H ATOM 7527 OH2 TIP3 1833 21.085 46.602 1.845 1.00 0.00 SOLV O ATOM 7528 H1 TIP3 1833 21.525 47.354 2.292 1.00 0.00 SOLV H ATOM 7529 H2 TIP3 1833 20.158 46.732 2.138 1.00 0.00 SOLV H ATOM 7530 OH2 TIP3 1834 26.288 49.583 6.231 1.00 0.00 SOLV O ATOM 7531 H1 TIP3 1834 26.113 50.473 6.599 1.00 0.00 SOLV H ATOM 7532 H2 TIP3 1834 25.729 49.025 6.801 1.00 0.00 SOLV H ATOM 7533 OH2 TIP3 1835 27.147 53.843 12.989 1.00 0.00 SOLV O ATOM 7534 H1 TIP3 1835 27.781 54.566 12.788 1.00 0.00 SOLV H ATOM 7535 H2 TIP3 1835 27.702 53.252 13.521 1.00 0.00 SOLV H ATOM 7536 OH2 TIP3 1836 25.254 54.768 6.115 1.00 0.00 SOLV O ATOM 7537 H1 TIP3 1836 24.330 54.929 6.392 1.00 0.00 SOLV H ATOM 7538 H2 TIP3 1836 25.691 55.583 6.450 1.00 0.00 SOLV H ATOM 7539 OH2 TIP3 1837 30.289 49.728 12.723 1.00 0.00 SOLV O ATOM 7540 H1 TIP3 1837 29.891 49.532 13.600 1.00 0.00 SOLV H ATOM 7541 H2 TIP3 1837 31.043 49.123 12.721 1.00 0.00 SOLV H ATOM 7542 OH2 TIP3 1838 32.491 50.713 2.075 1.00 0.00 SOLV O ATOM 7543 H1 TIP3 1838 33.135 50.288 2.670 1.00 0.00 SOLV H ATOM 7544 H2 TIP3 1838 31.699 50.741 2.637 1.00 0.00 SOLV H ATOM 7545 OH2 TIP3 1839 33.329 54.189 14.934 1.00 0.00 SOLV O ATOM 7546 H1 TIP3 1839 32.479 53.858 14.581 1.00 0.00 SOLV H ATOM 7547 H2 TIP3 1839 33.456 54.989 14.378 1.00 0.00 SOLV H ATOM 7548 OH2 TIP3 1840 37.544 55.433 1.824 1.00 0.00 SOLV O ATOM 7549 H1 TIP3 1840 38.140 56.141 2.151 1.00 0.00 SOLV H ATOM 7550 H2 TIP3 1840 36.689 55.796 2.151 1.00 0.00 SOLV H ATOM 7551 OH2 TIP3 1841 21.283 41.655 14.338 1.00 0.00 SOLV O ATOM 7552 H1 TIP3 1841 20.336 41.862 14.215 1.00 0.00 SOLV H ATOM 7553 H2 TIP3 1841 21.248 40.985 15.038 1.00 0.00 SOLV H ATOM 7554 OH2 TIP3 1842 33.968 49.580 4.248 1.00 0.00 SOLV O ATOM 7555 H1 TIP3 1842 33.586 48.752 4.602 1.00 0.00 SOLV H ATOM 7556 H2 TIP3 1842 34.921 49.346 4.253 1.00 0.00 SOLV H ATOM 7557 OH2 TIP3 1843 21.139 53.327 12.808 1.00 0.00 SOLV O ATOM 7558 H1 TIP3 1843 21.462 52.510 13.227 1.00 0.00 SOLV H ATOM 7559 H2 TIP3 1843 21.327 53.983 13.493 1.00 0.00 SOLV H ATOM 7560 OH2 TIP3 1844 26.960 51.914 0.293 1.00 0.00 SOLV O ATOM 7561 H1 TIP3 1844 27.222 51.041 -0.036 1.00 0.00 SOLV H ATOM 7562 H2 TIP3 1844 26.482 51.715 1.124 1.00 0.00 SOLV H ATOM 7563 OH2 TIP3 1845 25.687 51.509 2.745 1.00 0.00 SOLV O ATOM 7564 H1 TIP3 1845 26.224 51.037 3.398 1.00 0.00 SOLV H ATOM 7565 H2 TIP3 1845 25.795 52.437 3.062 1.00 0.00 SOLV H ATOM 7566 OH2 TIP3 1846 22.116 48.680 3.363 1.00 0.00 SOLV O ATOM 7567 H1 TIP3 1846 21.402 49.156 3.842 1.00 0.00 SOLV H ATOM 7568 H2 TIP3 1846 22.513 49.429 2.872 1.00 0.00 SOLV H ATOM 7569 OH2 TIP3 1847 30.320 41.179 13.554 1.00 0.00 SOLV O ATOM 7570 H1 TIP3 1847 31.021 41.437 14.182 1.00 0.00 SOLV H ATOM 7571 H2 TIP3 1847 29.978 40.343 13.932 1.00 0.00 SOLV H ATOM 7572 OH2 TIP3 1848 31.041 40.609 4.874 1.00 0.00 SOLV O ATOM 7573 H1 TIP3 1848 31.254 41.017 4.013 1.00 0.00 SOLV H ATOM 7574 H2 TIP3 1848 31.467 41.237 5.499 1.00 0.00 SOLV H ATOM 7575 OH2 TIP3 1849 28.648 52.892 3.463 1.00 0.00 SOLV O ATOM 7576 H1 TIP3 1849 27.833 53.376 3.691 1.00 0.00 SOLV H ATOM 7577 H2 TIP3 1849 28.812 53.213 2.551 1.00 0.00 SOLV H ATOM 7578 OH2 TIP3 1850 27.985 42.858 5.503 1.00 0.00 SOLV O ATOM 7579 H1 TIP3 1850 28.749 43.461 5.645 1.00 0.00 SOLV H ATOM 7580 H2 TIP3 1850 27.837 42.526 6.416 1.00 0.00 SOLV H ATOM 7581 OH2 TIP3 1851 28.867 43.748 14.417 1.00 0.00 SOLV O ATOM 7582 H1 TIP3 1851 29.007 44.059 15.337 1.00 0.00 SOLV H ATOM 7583 H2 TIP3 1851 29.244 42.852 14.438 1.00 0.00 SOLV H ATOM 7584 OH2 TIP3 1852 28.747 39.542 6.031 1.00 0.00 SOLV O ATOM 7585 H1 TIP3 1852 28.614 40.186 6.753 1.00 0.00 SOLV H ATOM 7586 H2 TIP3 1852 29.590 39.887 5.645 1.00 0.00 SOLV H ATOM 7587 OH2 TIP3 1853 26.152 54.032 3.648 1.00 0.00 SOLV O ATOM 7588 H1 TIP3 1853 26.145 54.883 3.155 1.00 0.00 SOLV H ATOM 7589 H2 TIP3 1853 25.821 54.319 4.530 1.00 0.00 SOLV H ATOM 7590 OH2 TIP3 1854 24.794 41.079 3.036 1.00 0.00 SOLV O ATOM 7591 H1 TIP3 1854 24.730 41.875 3.611 1.00 0.00 SOLV H ATOM 7592 H2 TIP3 1854 25.701 40.799 3.301 1.00 0.00 SOLV H ATOM 7593 OH2 TIP3 1855 34.758 41.621 15.475 1.00 0.00 SOLV O ATOM 7594 H1 TIP3 1855 33.815 41.849 15.317 1.00 0.00 SOLV H ATOM 7595 H2 TIP3 1855 34.985 41.237 14.617 1.00 0.00 SOLV H ATOM 7596 OH2 TIP3 1856 33.438 45.352 9.421 1.00 0.00 SOLV O ATOM 7597 H1 TIP3 1856 32.589 44.917 9.235 1.00 0.00 SOLV H ATOM 7598 H2 TIP3 1856 33.907 44.674 9.953 1.00 0.00 SOLV H ATOM 7599 OH2 TIP3 1857 23.022 50.868 1.919 1.00 0.00 SOLV O ATOM 7600 H1 TIP3 1857 23.832 51.241 2.323 1.00 0.00 SOLV H ATOM 7601 H2 TIP3 1857 23.439 50.327 1.214 1.00 0.00 SOLV H ATOM 7602 OH2 TIP3 1858 21.549 44.022 1.221 1.00 0.00 SOLV O ATOM 7603 H1 TIP3 1858 21.391 44.961 1.487 1.00 0.00 SOLV H ATOM 7604 H2 TIP3 1858 20.849 43.901 0.567 1.00 0.00 SOLV H ATOM 7605 OH2 TIP3 1859 34.650 54.794 11.098 1.00 0.00 SOLV O ATOM 7606 H1 TIP3 1859 34.510 55.483 10.409 1.00 0.00 SOLV H ATOM 7607 H2 TIP3 1859 35.629 54.812 11.174 1.00 0.00 SOLV H ATOM 7608 OH2 TIP3 1860 22.060 38.832 9.772 1.00 0.00 SOLV O ATOM 7609 H1 TIP3 1860 21.949 38.718 8.807 1.00 0.00 SOLV H ATOM 7610 H2 TIP3 1860 21.692 37.994 10.123 1.00 0.00 SOLV H ATOM 7611 OH2 TIP3 1861 20.875 52.648 5.728 1.00 0.00 SOLV O ATOM 7612 H1 TIP3 1861 20.216 52.886 6.393 1.00 0.00 SOLV H ATOM 7613 H2 TIP3 1861 20.726 53.331 5.030 1.00 0.00 SOLV H ATOM 7614 OH2 TIP3 1862 20.388 55.655 17.594 1.00 0.00 SOLV O ATOM 7615 H1 TIP3 1862 21.077 55.432 18.266 1.00 0.00 SOLV H ATOM 7616 H2 TIP3 1862 20.118 54.765 17.317 1.00 0.00 SOLV H ATOM 7617 OH2 TIP3 1863 24.591 54.048 18.972 1.00 0.00 SOLV O ATOM 7618 H1 TIP3 1863 25.465 53.736 19.242 1.00 0.00 SOLV H ATOM 7619 H2 TIP3 1863 24.492 53.600 18.106 1.00 0.00 SOLV H ATOM 7620 OH2 TIP3 1864 29.009 53.611 0.863 1.00 0.00 SOLV O ATOM 7621 H1 TIP3 1864 28.337 53.003 0.489 1.00 0.00 SOLV H ATOM 7622 H2 TIP3 1864 29.781 53.430 0.283 1.00 0.00 SOLV H ATOM 7623 OH2 TIP3 1865 31.353 52.585 17.775 1.00 0.00 SOLV O ATOM 7624 H1 TIP3 1865 31.043 51.764 18.226 1.00 0.00 SOLV H ATOM 7625 H2 TIP3 1865 32.086 52.871 18.355 1.00 0.00 SOLV H ATOM 7626 OH2 TIP3 1866 33.378 53.482 0.882 1.00 0.00 SOLV O ATOM 7627 H1 TIP3 1866 33.858 52.675 1.121 1.00 0.00 SOLV H ATOM 7628 H2 TIP3 1866 33.927 53.846 0.157 1.00 0.00 SOLV H ATOM 7629 OH2 TIP3 1867 20.185 49.202 18.334 1.00 0.00 SOLV O ATOM 7630 H1 TIP3 1867 20.158 48.233 18.232 1.00 0.00 SOLV H ATOM 7631 H2 TIP3 1867 19.486 49.488 17.706 1.00 0.00 SOLV H ATOM 7632 OH2 TIP3 1868 24.685 49.169 0.567 1.00 0.00 SOLV O ATOM 7633 H1 TIP3 1868 25.057 48.726 1.362 1.00 0.00 SOLV H ATOM 7634 H2 TIP3 1868 25.431 49.680 0.238 1.00 0.00 SOLV H ATOM 7635 OH2 TIP3 1869 26.678 49.329 17.873 1.00 0.00 SOLV O ATOM 7636 H1 TIP3 1869 26.589 49.804 17.019 1.00 0.00 SOLV H ATOM 7637 H2 TIP3 1869 26.929 48.426 17.592 1.00 0.00 SOLV H ATOM 7638 OH2 TIP3 1870 29.875 50.058 0.403 1.00 0.00 SOLV O ATOM 7639 H1 TIP3 1870 29.839 50.258 1.363 1.00 0.00 SOLV H ATOM 7640 H2 TIP3 1870 30.607 49.424 0.383 1.00 0.00 SOLV H ATOM 7641 OH2 TIP3 1871 32.452 49.299 15.345 1.00 0.00 SOLV O ATOM 7642 H1 TIP3 1871 33.378 49.588 15.224 1.00 0.00 SOLV H ATOM 7643 H2 TIP3 1871 31.981 50.147 15.207 1.00 0.00 SOLV H ATOM 7644 OH2 TIP3 1872 21.012 46.441 17.897 1.00 0.00 SOLV O ATOM 7645 H1 TIP3 1872 21.861 46.055 17.651 1.00 0.00 SOLV H ATOM 7646 H2 TIP3 1872 21.104 46.515 18.872 1.00 0.00 SOLV H ATOM 7647 OH2 TIP3 1873 25.642 47.677 2.673 1.00 0.00 SOLV O ATOM 7648 H1 TIP3 1873 25.065 47.264 3.341 1.00 0.00 SOLV H ATOM 7649 H2 TIP3 1873 26.029 46.894 2.227 1.00 0.00 SOLV H ATOM 7650 OH2 TIP3 1874 24.969 45.254 15.145 1.00 0.00 SOLV O ATOM 7651 H1 TIP3 1874 24.303 45.975 15.136 1.00 0.00 SOLV H ATOM 7652 H2 TIP3 1874 25.707 45.661 14.634 1.00 0.00 SOLV H ATOM 7653 OH2 TIP3 1875 26.838 45.604 1.172 1.00 0.00 SOLV O ATOM 7654 H1 TIP3 1875 26.869 45.642 0.210 1.00 0.00 SOLV H ATOM 7655 H2 TIP3 1875 27.797 45.489 1.369 1.00 0.00 SOLV H ATOM 7656 OH2 TIP3 1876 30.105 47.893 18.521 1.00 0.00 SOLV O ATOM 7657 H1 TIP3 1876 31.039 47.647 18.586 1.00 0.00 SOLV H ATOM 7658 H2 TIP3 1876 29.685 47.195 19.054 1.00 0.00 SOLV H ATOM 7659 OH2 TIP3 1877 35.934 47.838 0.498 1.00 0.00 SOLV O ATOM 7660 H1 TIP3 1877 36.257 47.442 -0.323 1.00 0.00 SOLV H ATOM 7661 H2 TIP3 1877 36.182 48.772 0.326 1.00 0.00 SOLV H ATOM 7662 OH2 TIP3 1878 25.637 42.819 16.082 1.00 0.00 SOLV O ATOM 7663 H1 TIP3 1878 25.664 42.203 15.322 1.00 0.00 SOLV H ATOM 7664 H2 TIP3 1878 25.428 43.676 15.641 1.00 0.00 SOLV H ATOM 7665 OH2 TIP3 1879 25.796 41.108 13.838 1.00 0.00 SOLV O ATOM 7666 H1 TIP3 1879 26.346 41.636 13.226 1.00 0.00 SOLV H ATOM 7667 H2 TIP3 1879 24.927 41.117 13.383 1.00 0.00 SOLV H ATOM 7668 OH2 TIP3 1880 27.014 46.449 13.921 1.00 0.00 SOLV O ATOM 7669 H1 TIP3 1880 27.971 46.587 13.923 1.00 0.00 SOLV H ATOM 7670 H2 TIP3 1880 26.694 47.271 13.490 1.00 0.00 SOLV H ATOM 7671 OH2 TIP3 1881 31.702 44.349 18.928 1.00 0.00 SOLV O ATOM 7672 H1 TIP3 1881 32.178 43.540 18.696 1.00 0.00 SOLV H ATOM 7673 H2 TIP3 1881 32.442 44.959 19.091 1.00 0.00 SOLV H ATOM 7674 OH2 TIP3 1882 33.059 47.069 16.789 1.00 0.00 SOLV O ATOM 7675 H1 TIP3 1882 32.737 47.885 16.338 1.00 0.00 SOLV H ATOM 7676 H2 TIP3 1882 34.034 47.204 16.744 1.00 0.00 SOLV H ATOM 7677 OH2 TIP3 1883 23.921 43.433 18.261 1.00 0.00 SOLV O ATOM 7678 H1 TIP3 1883 23.110 42.926 18.062 1.00 0.00 SOLV H ATOM 7679 H2 TIP3 1883 24.415 43.356 17.422 1.00 0.00 SOLV H ATOM 7680 OH2 TIP3 1884 26.480 38.435 14.437 1.00 0.00 SOLV O ATOM 7681 H1 TIP3 1884 26.213 39.358 14.234 1.00 0.00 SOLV H ATOM 7682 H2 TIP3 1884 25.790 37.926 13.968 1.00 0.00 SOLV H ATOM 7683 OH2 TIP3 1885 27.826 42.450 17.724 1.00 0.00 SOLV O ATOM 7684 H1 TIP3 1885 27.264 42.099 18.448 1.00 0.00 SOLV H ATOM 7685 H2 TIP3 1885 27.121 42.602 17.056 1.00 0.00 SOLV H ATOM 7686 OH2 TIP3 1886 30.333 41.962 16.763 1.00 0.00 SOLV O ATOM 7687 H1 TIP3 1886 29.437 42.047 17.154 1.00 0.00 SOLV H ATOM 7688 H2 TIP3 1886 30.784 41.415 17.443 1.00 0.00 SOLV H ATOM 7689 OH2 TIP3 1887 31.610 40.425 18.626 1.00 0.00 SOLV O ATOM 7690 H1 TIP3 1887 31.910 39.510 18.503 1.00 0.00 SOLV H ATOM 7691 H2 TIP3 1887 31.937 40.624 19.512 1.00 0.00 SOLV H ATOM 7692 OH2 TIP3 1888 21.806 41.620 17.912 1.00 0.00 SOLV O ATOM 7693 H1 TIP3 1888 21.785 40.768 17.436 1.00 0.00 SOLV H ATOM 7694 H2 TIP3 1888 21.903 41.319 18.836 1.00 0.00 SOLV H ATOM 7695 OH2 TIP3 1889 26.427 37.577 17.091 1.00 0.00 SOLV O ATOM 7696 H1 TIP3 1889 27.107 36.897 16.929 1.00 0.00 SOLV H ATOM 7697 H2 TIP3 1889 26.400 37.995 16.207 1.00 0.00 SOLV H ATOM 7698 OH2 TIP3 1890 26.479 56.326 2.185 1.00 0.00 SOLV O ATOM 7699 H1 TIP3 1890 27.458 56.286 2.140 1.00 0.00 SOLV H ATOM 7700 H2 TIP3 1890 26.281 57.067 1.605 1.00 0.00 SOLV H ATOM 7701 OH2 TIP3 1891 20.229 51.226 1.716 1.00 0.00 SOLV O ATOM 7702 H1 TIP3 1891 21.211 51.251 1.704 1.00 0.00 SOLV H ATOM 7703 H2 TIP3 1891 20.028 50.547 1.055 1.00 0.00 SOLV H ATOM 7704 OH2 TIP3 1892 19.192 56.296 6.778 1.00 0.00 SOLV O ATOM 7705 H1 TIP3 1892 18.596 55.932 6.086 1.00 0.00 SOLV H ATOM 7706 H2 TIP3 1892 19.353 55.490 7.314 1.00 0.00 SOLV H ATOM 7707 OH2 TIP3 1893 19.718 54.132 8.434 1.00 0.00 SOLV O ATOM 7708 H1 TIP3 1893 19.297 53.416 8.945 1.00 0.00 SOLV H ATOM 7709 H2 TIP3 1893 20.199 54.585 9.149 1.00 0.00 SOLV H ATOM 7710 OH2 TIP3 1894 37.332 55.034 11.627 1.00 0.00 SOLV O ATOM 7711 H1 TIP3 1894 37.292 55.184 12.591 1.00 0.00 SOLV H ATOM 7712 H2 TIP3 1894 38.105 55.561 11.374 1.00 0.00 SOLV H ATOM 7713 OH2 TIP3 1895 36.766 54.758 14.382 1.00 0.00 SOLV O ATOM 7714 H1 TIP3 1895 36.231 54.007 14.046 1.00 0.00 SOLV H ATOM 7715 H2 TIP3 1895 37.278 54.302 15.068 1.00 0.00 SOLV H ATOM 7716 OH2 TIP3 1896 35.252 50.502 19.104 1.00 0.00 SOLV O ATOM 7717 H1 TIP3 1896 34.402 50.617 19.571 1.00 0.00 SOLV H ATOM 7718 H2 TIP3 1896 35.784 51.235 19.474 1.00 0.00 SOLV H ATOM 7719 OH2 TIP3 1897 36.626 48.781 4.508 1.00 0.00 SOLV O ATOM 7720 H1 TIP3 1897 37.391 49.393 4.521 1.00 0.00 SOLV H ATOM 7721 H2 TIP3 1897 36.826 48.206 5.279 1.00 0.00 SOLV H ATOM 7722 OH2 TIP3 1898 37.105 46.882 6.464 1.00 0.00 SOLV O ATOM 7723 H1 TIP3 1898 36.229 46.515 6.719 1.00 0.00 SOLV H ATOM 7724 H2 TIP3 1898 37.551 46.982 7.328 1.00 0.00 SOLV H ATOM 7725 OH2 TIP3 1899 37.068 49.783 11.606 1.00 0.00 SOLV O ATOM 7726 H1 TIP3 1899 37.553 49.088 11.119 1.00 0.00 SOLV H ATOM 7727 H2 TIP3 1899 37.330 50.595 11.127 1.00 0.00 SOLV H ATOM 7728 OH2 TIP3 1900 35.185 52.581 13.635 1.00 0.00 SOLV O ATOM 7729 H1 TIP3 1900 34.423 53.033 14.051 1.00 0.00 SOLV H ATOM 7730 H2 TIP3 1900 34.851 52.408 12.728 1.00 0.00 SOLV H ATOM 7731 OH2 TIP3 1901 37.301 46.865 2.695 1.00 0.00 SOLV O ATOM 7732 H1 TIP3 1901 36.781 47.125 1.904 1.00 0.00 SOLV H ATOM 7733 H2 TIP3 1901 37.001 47.553 3.327 1.00 0.00 SOLV H ATOM 7734 OH2 TIP3 1902 35.762 44.063 1.399 1.00 0.00 SOLV O ATOM 7735 H1 TIP3 1902 35.464 44.693 0.736 1.00 0.00 SOLV H ATOM 7736 H2 TIP3 1902 35.305 43.243 1.122 1.00 0.00 SOLV H ATOM 7737 OH2 TIP3 1903 34.701 45.661 6.989 1.00 0.00 SOLV O ATOM 7738 H1 TIP3 1903 34.664 44.736 6.696 1.00 0.00 SOLV H ATOM 7739 H2 TIP3 1903 34.296 45.614 7.884 1.00 0.00 SOLV H ATOM 7740 OH2 TIP3 1904 19.629 47.481 11.016 1.00 0.00 SOLV O ATOM 7741 H1 TIP3 1904 19.775 47.312 10.061 1.00 0.00 SOLV H ATOM 7742 H2 TIP3 1904 20.527 47.279 11.374 1.00 0.00 SOLV H ATOM 7743 OH2 TIP3 1905 35.770 47.434 16.771 1.00 0.00 SOLV O ATOM 7744 H1 TIP3 1905 36.336 46.630 16.699 1.00 0.00 SOLV H ATOM 7745 H2 TIP3 1905 36.362 48.123 16.432 1.00 0.00 SOLV H ATOM 7746 OH2 TIP3 1906 37.246 45.211 16.639 1.00 0.00 SOLV O ATOM 7747 H1 TIP3 1906 36.379 44.759 16.737 1.00 0.00 SOLV H ATOM 7748 H2 TIP3 1906 37.732 44.741 17.359 1.00 0.00 SOLV H ATOM 7749 OH2 TIP3 1907 34.565 41.793 0.503 1.00 0.00 SOLV O ATOM 7750 H1 TIP3 1907 35.167 41.143 0.912 1.00 0.00 SOLV H ATOM 7751 H2 TIP3 1907 33.699 41.517 0.855 1.00 0.00 SOLV H ATOM 7752 OH2 TIP3 1908 34.626 43.144 5.270 1.00 0.00 SOLV O ATOM 7753 H1 TIP3 1908 34.876 42.189 5.290 1.00 0.00 SOLV H ATOM 7754 H2 TIP3 1908 35.425 43.517 4.853 1.00 0.00 SOLV H ATOM 7755 OH2 TIP3 1909 34.940 43.415 10.754 1.00 0.00 SOLV O ATOM 7756 H1 TIP3 1909 35.902 43.548 10.586 1.00 0.00 SOLV H ATOM 7757 H2 TIP3 1909 34.925 43.624 11.710 1.00 0.00 SOLV H ATOM 7758 OH2 TIP3 1910 35.276 44.326 13.390 1.00 0.00 SOLV O ATOM 7759 H1 TIP3 1910 34.480 44.678 13.829 1.00 0.00 SOLV H ATOM 7760 H2 TIP3 1910 35.828 45.134 13.315 1.00 0.00 SOLV H ATOM 7761 OH2 TIP3 1911 19.464 42.715 17.000 1.00 0.00 SOLV O ATOM 7762 H1 TIP3 1911 20.359 42.511 17.347 1.00 0.00 SOLV H ATOM 7763 H2 TIP3 1911 19.026 41.851 17.136 1.00 0.00 SOLV H ATOM 7764 OH2 TIP3 1912 37.338 38.374 18.694 1.00 0.00 SOLV O ATOM 7765 H1 TIP3 1912 38.066 37.781 18.411 1.00 0.00 SOLV H ATOM 7766 H2 TIP3 1912 37.408 39.098 18.033 1.00 0.00 SOLV H ATOM 7767 OH2 TIP3 1913 35.192 40.450 5.368 1.00 0.00 SOLV O ATOM 7768 H1 TIP3 1913 35.388 40.024 6.227 1.00 0.00 SOLV H ATOM 7769 H2 TIP3 1913 34.528 39.827 5.006 1.00 0.00 SOLV H ATOM 7770 OH2 TIP3 1914 20.581 41.200 9.946 1.00 0.00 SOLV O ATOM 7771 H1 TIP3 1914 21.050 40.345 10.009 1.00 0.00 SOLV H ATOM 7772 H2 TIP3 1914 21.290 41.819 10.194 1.00 0.00 SOLV H ATOM 7773 OH2 TIP3 1915 18.764 44.017 10.805 1.00 0.00 SOLV O ATOM 7774 H1 TIP3 1915 19.488 44.115 10.156 1.00 0.00 SOLV H ATOM 7775 H2 TIP3 1915 18.974 44.711 11.440 1.00 0.00 SOLV H ATOM 7776 OH2 TIP3 1916 36.937 40.230 16.774 1.00 0.00 SOLV O ATOM 7777 H1 TIP3 1916 36.475 41.065 16.931 1.00 0.00 SOLV H ATOM 7778 H2 TIP3 1916 36.430 39.849 16.033 1.00 0.00 SOLV H ATOM 7779 OH2 TIP3 1917 36.749 40.354 1.910 1.00 0.00 SOLV O ATOM 7780 H1 TIP3 1917 37.050 40.442 0.972 1.00 0.00 SOLV H ATOM 7781 H2 TIP3 1917 37.441 40.883 2.351 1.00 0.00 SOLV H ATOM 7782 OH2 TIP3 1918 19.447 40.212 4.862 1.00 0.00 SOLV O ATOM 7783 H1 TIP3 1918 18.481 40.253 4.976 1.00 0.00 SOLV H ATOM 7784 H2 TIP3 1918 19.616 40.988 4.295 1.00 0.00 SOLV H ATOM 7785 OH2 TIP3 1919 34.105 55.356 7.093 1.00 0.00 SOLV O ATOM 7786 H1 TIP3 1919 34.819 55.365 6.422 1.00 0.00 SOLV H ATOM 7787 H2 TIP3 1919 34.512 55.836 7.832 1.00 0.00 SOLV H ATOM 7788 OH2 TIP3 1920 19.335 38.961 13.249 1.00 0.00 SOLV O ATOM 7789 H1 TIP3 1920 18.629 38.914 13.914 1.00 0.00 SOLV H ATOM 7790 H2 TIP3 1920 18.961 39.632 12.641 1.00 0.00 SOLV H ATOM 7791 OH2 TIP3 1921 21.458 52.616 17.427 1.00 0.00 SOLV O ATOM 7792 H1 TIP3 1921 20.545 52.630 17.081 1.00 0.00 SOLV H ATOM 7793 H2 TIP3 1921 21.333 52.257 18.313 1.00 0.00 SOLV H ATOM 7794 OH2 TIP3 1922 24.517 53.477 13.761 1.00 0.00 SOLV O ATOM 7795 H1 TIP3 1922 24.267 54.382 13.475 1.00 0.00 SOLV H ATOM 7796 H2 TIP3 1922 25.473 53.527 13.551 1.00 0.00 SOLV H ATOM 7797 OH2 TIP3 1923 28.540 54.653 16.600 1.00 0.00 SOLV O ATOM 7798 H1 TIP3 1923 28.696 54.370 17.528 1.00 0.00 SOLV H ATOM 7799 H2 TIP3 1923 29.373 55.141 16.421 1.00 0.00 SOLV H ATOM 7800 OH2 TIP3 1924 30.849 56.084 16.173 1.00 0.00 SOLV O ATOM 7801 H1 TIP3 1924 31.570 55.557 15.803 1.00 0.00 SOLV H ATOM 7802 H2 TIP3 1924 31.276 56.425 16.991 1.00 0.00 SOLV H ATOM 7803 OH2 TIP3 1925 35.856 38.459 14.931 1.00 0.00 SOLV O ATOM 7804 H1 TIP3 1925 35.158 38.549 14.262 1.00 0.00 SOLV H ATOM 7805 H2 TIP3 1925 36.172 37.541 14.763 1.00 0.00 SOLV H ATOM 7806 OH2 TIP3 1926 21.606 56.450 13.864 1.00 0.00 SOLV O ATOM 7807 H1 TIP3 1926 20.812 56.913 13.513 1.00 0.00 SOLV H ATOM 7808 H2 TIP3 1926 21.694 56.889 14.724 1.00 0.00 SOLV H ATOM 7809 OH2 TIP3 1927 24.208 56.086 13.019 1.00 0.00 SOLV O ATOM 7810 H1 TIP3 1927 23.265 56.268 13.228 1.00 0.00 SOLV H ATOM 7811 H2 TIP3 1927 24.326 56.594 12.191 1.00 0.00 SOLV H ATOM 7812 OH2 TIP3 1928 28.845 55.856 12.158 1.00 0.00 SOLV O ATOM 7813 H1 TIP3 1928 28.388 56.286 11.414 1.00 0.00 SOLV H ATOM 7814 H2 TIP3 1928 28.963 56.604 12.782 1.00 0.00 SOLV H ATOM 7815 OH2 TIP3 1929 31.193 54.635 13.148 1.00 0.00 SOLV O ATOM 7816 H1 TIP3 1929 30.386 55.055 12.792 1.00 0.00 SOLV H ATOM 7817 H2 TIP3 1929 31.864 55.318 12.969 1.00 0.00 SOLV H ATOM 7818 OH2 TIP3 1930 33.580 56.255 13.159 1.00 0.00 SOLV O ATOM 7819 H1 TIP3 1930 33.736 57.191 12.908 1.00 0.00 SOLV H ATOM 7820 H2 TIP3 1930 33.992 55.782 12.401 1.00 0.00 SOLV H ATOM 7821 OH2 TIP3 1931 21.198 55.115 10.652 1.00 0.00 SOLV O ATOM 7822 H1 TIP3 1931 21.158 54.586 11.478 1.00 0.00 SOLV H ATOM 7823 H2 TIP3 1931 21.992 54.697 10.248 1.00 0.00 SOLV H ATOM 7824 OH2 TIP3 1932 23.303 53.811 9.573 1.00 0.00 SOLV O ATOM 7825 H1 TIP3 1932 23.177 52.877 9.869 1.00 0.00 SOLV H ATOM 7826 H2 TIP3 1932 24.225 53.969 9.869 1.00 0.00 SOLV H ATOM 7827 OH2 TIP3 1933 25.942 54.101 10.501 1.00 0.00 SOLV O ATOM 7828 H1 TIP3 1933 26.089 53.161 10.275 1.00 0.00 SOLV H ATOM 7829 H2 TIP3 1933 26.281 54.094 11.419 1.00 0.00 SOLV H ATOM 7830 OH2 TIP3 1934 29.317 39.956 9.369 1.00 0.00 SOLV O ATOM 7831 H1 TIP3 1934 28.744 39.201 9.580 1.00 0.00 SOLV H ATOM 7832 H2 TIP3 1934 30.135 39.520 9.049 1.00 0.00 SOLV H ATOM 7833 OH2 TIP3 1935 34.327 37.956 9.467 1.00 0.00 SOLV O ATOM 7834 H1 TIP3 1935 34.979 38.519 8.989 1.00 0.00 SOLV H ATOM 7835 H2 TIP3 1935 33.500 38.434 9.285 1.00 0.00 SOLV H ATOM 7836 OH2 TIP3 1936 36.024 39.183 7.700 1.00 0.00 SOLV O ATOM 7837 H1 TIP3 1936 36.746 38.600 7.373 1.00 0.00 SOLV H ATOM 7838 H2 TIP3 1936 36.539 40.010 7.851 1.00 0.00 SOLV H ATOM 7839 OH2 TIP3 1937 21.762 38.523 6.980 1.00 0.00 SOLV O ATOM 7840 H1 TIP3 1937 20.803 38.459 6.772 1.00 0.00 SOLV H ATOM 7841 H2 TIP3 1937 22.015 37.585 6.875 1.00 0.00 SOLV H ATOM 7842 OH2 TIP3 1938 20.928 38.060 3.098 1.00 0.00 SOLV O ATOM 7843 H1 TIP3 1938 21.304 38.781 2.550 1.00 0.00 SOLV H ATOM 7844 H2 TIP3 1938 20.360 38.583 3.703 1.00 0.00 SOLV H ATOM 7845 OH2 TIP3 1939 26.390 38.232 7.126 1.00 0.00 SOLV O ATOM 7846 H1 TIP3 1939 27.131 38.698 6.703 1.00 0.00 SOLV H ATOM 7847 H2 TIP3 1939 26.565 38.394 8.068 1.00 0.00 SOLV H ATOM 7848 OH2 TIP3 1940 31.656 38.689 8.533 1.00 0.00 SOLV O ATOM 7849 H1 TIP3 1940 32.025 38.435 7.676 1.00 0.00 SOLV H ATOM 7850 H2 TIP3 1940 31.331 37.824 8.874 1.00 0.00 SOLV H ATOM 7851 OH2 TIP3 1941 33.198 38.768 4.381 1.00 0.00 SOLV O ATOM 7852 H1 TIP3 1941 32.386 39.305 4.398 1.00 0.00 SOLV H ATOM 7853 H2 TIP3 1941 32.829 37.880 4.576 1.00 0.00 SOLV H ATOM 7854 OH2 TIP3 1942 20.505 54.581 3.874 1.00 0.00 SOLV O ATOM 7855 H1 TIP3 1942 19.783 54.454 3.239 1.00 0.00 SOLV H ATOM 7856 H2 TIP3 1942 20.624 55.550 3.803 1.00 0.00 SOLV H ATOM 7857 OH2 TIP3 1943 22.822 39.535 1.818 1.00 0.00 SOLV O ATOM 7858 H1 TIP3 1943 22.762 40.005 0.970 1.00 0.00 SOLV H ATOM 7859 H2 TIP3 1943 23.422 40.138 2.309 1.00 0.00 SOLV H ATOM 7860 OH2 TIP3 1944 27.380 40.727 3.915 1.00 0.00 SOLV O ATOM 7861 H1 TIP3 1944 27.774 40.094 4.545 1.00 0.00 SOLV H ATOM 7862 H2 TIP3 1944 27.578 41.562 4.398 1.00 0.00 SOLV H ATOM 7863 OH2 TIP3 1945 29.187 56.023 2.028 1.00 0.00 SOLV O ATOM 7864 H1 TIP3 1945 30.171 56.009 2.116 1.00 0.00 SOLV H ATOM 7865 H2 TIP3 1945 29.086 55.131 1.617 1.00 0.00 SOLV H ATOM 7866 OH2 TIP3 1946 36.103 55.235 5.169 1.00 0.00 SOLV O ATOM 7867 H1 TIP3 1946 35.911 54.316 4.858 1.00 0.00 SOLV H ATOM 7868 H2 TIP3 1946 35.875 55.749 4.367 1.00 0.00 SOLV H ATOM 7869 OH2 TIP3 1947 21.636 39.126 16.608 1.00 0.00 SOLV O ATOM 7870 H1 TIP3 1947 21.053 38.398 16.899 1.00 0.00 SOLV H ATOM 7871 H2 TIP3 1947 22.457 38.909 17.098 1.00 0.00 SOLV H ATOM 7872 OH2 TIP3 1948 23.775 38.490 18.282 1.00 0.00 SOLV O ATOM 7873 H1 TIP3 1948 24.675 38.245 17.987 1.00 0.00 SOLV H ATOM 7874 H2 TIP3 1948 23.437 37.649 18.649 1.00 0.00 SOLV H ATOM 7875 OH2 TIP3 1949 22.095 55.185 0.793 1.00 0.00 SOLV O ATOM 7876 H1 TIP3 1949 21.691 55.586 1.575 1.00 0.00 SOLV H ATOM 7877 H2 TIP3 1949 22.910 54.819 1.155 1.00 0.00 SOLV H ATOM 7878 OH2 TIP3 1950 32.467 37.528 18.593 1.00 0.00 SOLV O ATOM 7879 H1 TIP3 1950 32.653 36.606 18.871 1.00 0.00 SOLV H ATOM 7880 H2 TIP3 1950 33.381 37.773 18.313 1.00 0.00 SOLV H ATOM 7881 OH2 TIP3 1951 35.110 53.887 17.115 1.00 0.00 SOLV O ATOM 7882 H1 TIP3 1951 34.468 53.873 16.376 1.00 0.00 SOLV H ATOM 7883 H2 TIP3 1951 35.044 54.825 17.389 1.00 0.00 SOLV H ATOM 7884 OH2 TIP3 1952 49.775 47.886 6.978 1.00 0.00 SOLV O ATOM 7885 H1 TIP3 1952 49.622 48.845 6.866 1.00 0.00 SOLV H ATOM 7886 H2 TIP3 1952 49.096 47.525 6.379 1.00 0.00 SOLV H ATOM 7887 OH2 TIP3 1953 48.675 47.067 10.757 1.00 0.00 SOLV O ATOM 7888 H1 TIP3 1953 48.812 46.617 11.611 1.00 0.00 SOLV H ATOM 7889 H2 TIP3 1953 48.277 46.357 10.225 1.00 0.00 SOLV H ATOM 7890 OH2 TIP3 1954 40.850 46.495 11.976 1.00 0.00 SOLV O ATOM 7891 H1 TIP3 1954 40.826 45.706 12.548 1.00 0.00 SOLV H ATOM 7892 H2 TIP3 1954 41.443 47.073 12.469 1.00 0.00 SOLV H ATOM 7893 OH2 TIP3 1955 52.345 50.176 9.000 1.00 0.00 SOLV O ATOM 7894 H1 TIP3 1955 51.908 49.418 9.414 1.00 0.00 SOLV H ATOM 7895 H2 TIP3 1955 52.603 50.716 9.768 1.00 0.00 SOLV H ATOM 7896 OH2 TIP3 1956 42.090 51.261 10.471 1.00 0.00 SOLV O ATOM 7897 H1 TIP3 1956 41.865 50.335 10.240 1.00 0.00 SOLV H ATOM 7898 H2 TIP3 1956 43.068 51.199 10.472 1.00 0.00 SOLV H ATOM 7899 OH2 TIP3 1957 38.656 44.631 5.829 1.00 0.00 SOLV O ATOM 7900 H1 TIP3 1957 38.185 45.441 6.099 1.00 0.00 SOLV H ATOM 7901 H2 TIP3 1957 38.073 44.347 5.096 1.00 0.00 SOLV H ATOM 7902 OH2 TIP3 1958 39.085 46.820 8.411 1.00 0.00 SOLV O ATOM 7903 H1 TIP3 1958 39.386 45.903 8.603 1.00 0.00 SOLV H ATOM 7904 H2 TIP3 1958 39.780 47.141 7.823 1.00 0.00 SOLV H ATOM 7905 OH2 TIP3 1959 49.626 55.172 9.408 1.00 0.00 SOLV O ATOM 7906 H1 TIP3 1959 50.002 54.524 8.779 1.00 0.00 SOLV H ATOM 7907 H2 TIP3 1959 49.182 54.594 10.041 1.00 0.00 SOLV H ATOM 7908 OH2 TIP3 1960 46.902 49.438 11.008 1.00 0.00 SOLV O ATOM 7909 H1 TIP3 1960 47.398 48.673 10.662 1.00 0.00 SOLV H ATOM 7910 H2 TIP3 1960 47.583 49.778 11.622 1.00 0.00 SOLV H ATOM 7911 OH2 TIP3 1961 55.745 40.993 11.896 1.00 0.00 SOLV O ATOM 7912 H1 TIP3 1961 56.044 41.697 12.503 1.00 0.00 SOLV H ATOM 7913 H2 TIP3 1961 56.262 41.199 11.095 1.00 0.00 SOLV H ATOM 7914 OH2 TIP3 1962 50.099 43.802 11.146 1.00 0.00 SOLV O ATOM 7915 H1 TIP3 1962 50.353 42.861 11.224 1.00 0.00 SOLV H ATOM 7916 H2 TIP3 1962 49.981 43.878 10.178 1.00 0.00 SOLV H ATOM 7917 OH2 TIP3 1963 43.402 41.724 8.452 1.00 0.00 SOLV O ATOM 7918 H1 TIP3 1963 43.494 42.519 7.892 1.00 0.00 SOLV H ATOM 7919 H2 TIP3 1963 43.358 41.013 7.791 1.00 0.00 SOLV H ATOM 7920 OH2 TIP3 1964 51.302 42.326 6.771 1.00 0.00 SOLV O ATOM 7921 H1 TIP3 1964 51.732 41.874 7.536 1.00 0.00 SOLV H ATOM 7922 H2 TIP3 1964 52.101 42.539 6.257 1.00 0.00 SOLV H ATOM 7923 OH2 TIP3 1965 39.966 44.336 9.152 1.00 0.00 SOLV O ATOM 7924 H1 TIP3 1965 40.603 43.904 9.753 1.00 0.00 SOLV H ATOM 7925 H2 TIP3 1965 40.229 43.919 8.304 1.00 0.00 SOLV H ATOM 7926 OH2 TIP3 1966 44.757 45.689 8.957 1.00 0.00 SOLV O ATOM 7927 H1 TIP3 1966 45.657 45.328 9.125 1.00 0.00 SOLV H ATOM 7928 H2 TIP3 1966 44.396 45.028 8.324 1.00 0.00 SOLV H ATOM 7929 OH2 TIP3 1967 56.292 42.591 14.192 1.00 0.00 SOLV O ATOM 7930 H1 TIP3 1967 55.558 43.183 13.923 1.00 0.00 SOLV H ATOM 7931 H2 TIP3 1967 56.336 42.771 15.145 1.00 0.00 SOLV H ATOM 7932 OH2 TIP3 1968 42.201 40.962 12.624 1.00 0.00 SOLV O ATOM 7933 H1 TIP3 1968 41.841 41.509 11.901 1.00 0.00 SOLV H ATOM 7934 H2 TIP3 1968 41.479 41.029 13.284 1.00 0.00 SOLV H ATOM 7935 OH2 TIP3 1969 49.395 50.450 5.956 1.00 0.00 SOLV O ATOM 7936 H1 TIP3 1969 49.149 50.597 5.030 1.00 0.00 SOLV H ATOM 7937 H2 TIP3 1969 48.930 51.203 6.387 1.00 0.00 SOLV H ATOM 7938 OH2 TIP3 1970 52.598 41.644 9.032 1.00 0.00 SOLV O ATOM 7939 H1 TIP3 1970 52.397 40.852 9.542 1.00 0.00 SOLV H ATOM 7940 H2 TIP3 1970 53.120 42.184 9.658 1.00 0.00 SOLV H ATOM 7941 OH2 TIP3 1971 41.807 42.716 10.491 1.00 0.00 SOLV O ATOM 7942 H1 TIP3 1971 42.477 43.226 10.989 1.00 0.00 SOLV H ATOM 7943 H2 TIP3 1971 42.371 42.320 9.783 1.00 0.00 SOLV H ATOM 7944 OH2 TIP3 1972 43.179 50.521 13.715 1.00 0.00 SOLV O ATOM 7945 H1 TIP3 1972 43.301 51.363 13.252 1.00 0.00 SOLV H ATOM 7946 H2 TIP3 1972 42.237 50.636 13.981 1.00 0.00 SOLV H ATOM 7947 OH2 TIP3 1973 38.995 50.326 4.358 1.00 0.00 SOLV O ATOM 7948 H1 TIP3 1973 38.897 50.786 3.498 1.00 0.00 SOLV H ATOM 7949 H2 TIP3 1973 39.329 51.056 4.922 1.00 0.00 SOLV H ATOM 7950 OH2 TIP3 1974 52.821 52.086 11.178 1.00 0.00 SOLV O ATOM 7951 H1 TIP3 1974 51.847 52.093 11.319 1.00 0.00 SOLV H ATOM 7952 H2 TIP3 1974 52.987 53.023 10.950 1.00 0.00 SOLV H ATOM 7953 OH2 TIP3 1975 53.143 40.148 12.752 1.00 0.00 SOLV O ATOM 7954 H1 TIP3 1975 52.436 40.561 12.227 1.00 0.00 SOLV H ATOM 7955 H2 TIP3 1975 53.954 40.461 12.298 1.00 0.00 SOLV H ATOM 7956 OH2 TIP3 1976 46.027 38.095 10.280 1.00 0.00 SOLV O ATOM 7957 H1 TIP3 1976 45.685 37.351 9.761 1.00 0.00 SOLV H ATOM 7958 H2 TIP3 1976 45.188 38.536 10.527 1.00 0.00 SOLV H ATOM 7959 OH2 TIP3 1977 50.884 53.702 7.366 1.00 0.00 SOLV O ATOM 7960 H1 TIP3 1977 51.313 52.833 7.181 1.00 0.00 SOLV H ATOM 7961 H2 TIP3 1977 51.693 54.267 7.375 1.00 0.00 SOLV H ATOM 7962 OH2 TIP3 1978 52.199 51.453 6.588 1.00 0.00 SOLV O ATOM 7963 H1 TIP3 1978 51.559 50.868 6.158 1.00 0.00 SOLV H ATOM 7964 H2 TIP3 1978 52.390 50.958 7.417 1.00 0.00 SOLV H ATOM 7965 OH2 TIP3 1979 53.897 50.014 14.752 1.00 0.00 SOLV O ATOM 7966 H1 TIP3 1979 53.835 49.437 13.960 1.00 0.00 SOLV H ATOM 7967 H2 TIP3 1979 53.985 50.901 14.340 1.00 0.00 SOLV H ATOM 7968 OH2 TIP3 1980 48.364 47.019 4.759 1.00 0.00 SOLV O ATOM 7969 H1 TIP3 1980 47.736 47.718 4.487 1.00 0.00 SOLV H ATOM 7970 H2 TIP3 1980 48.967 46.974 3.995 1.00 0.00 SOLV H ATOM 7971 OH2 TIP3 1981 48.496 45.478 1.182 1.00 0.00 SOLV O ATOM 7972 H1 TIP3 1981 49.141 45.746 1.863 1.00 0.00 SOLV H ATOM 7973 H2 TIP3 1981 48.964 44.753 0.735 1.00 0.00 SOLV H ATOM 7974 OH2 TIP3 1982 55.685 46.569 13.003 1.00 0.00 SOLV O ATOM 7975 H1 TIP3 1982 54.934 47.194 12.903 1.00 0.00 SOLV H ATOM 7976 H2 TIP3 1982 56.257 46.873 12.264 1.00 0.00 SOLV H ATOM 7977 OH2 TIP3 1983 51.830 47.153 5.383 1.00 0.00 SOLV O ATOM 7978 H1 TIP3 1983 51.178 47.388 6.084 1.00 0.00 SOLV H ATOM 7979 H2 TIP3 1983 52.500 46.671 5.916 1.00 0.00 SOLV H ATOM 7980 OH2 TIP3 1984 51.652 45.256 14.810 1.00 0.00 SOLV O ATOM 7981 H1 TIP3 1984 51.594 46.011 15.425 1.00 0.00 SOLV H ATOM 7982 H2 TIP3 1984 50.969 45.509 14.151 1.00 0.00 SOLV H ATOM 7983 OH2 TIP3 1985 43.407 47.783 7.586 1.00 0.00 SOLV O ATOM 7984 H1 TIP3 1985 43.109 47.469 6.703 1.00 0.00 SOLV H ATOM 7985 H2 TIP3 1985 43.919 47.018 7.915 1.00 0.00 SOLV H ATOM 7986 OH2 TIP3 1986 44.830 51.198 10.183 1.00 0.00 SOLV O ATOM 7987 H1 TIP3 1986 44.945 51.213 9.219 1.00 0.00 SOLV H ATOM 7988 H2 TIP3 1986 45.538 50.575 10.464 1.00 0.00 SOLV H ATOM 7989 OH2 TIP3 1987 44.121 46.859 11.340 1.00 0.00 SOLV O ATOM 7990 H1 TIP3 1987 44.341 46.323 10.543 1.00 0.00 SOLV H ATOM 7991 H2 TIP3 1987 44.343 47.731 10.988 1.00 0.00 SOLV H ATOM 7992 OH2 TIP3 1988 50.189 52.172 11.802 1.00 0.00 SOLV O ATOM 7993 H1 TIP3 1988 50.028 52.900 12.430 1.00 0.00 SOLV H ATOM 7994 H2 TIP3 1988 49.711 51.422 12.204 1.00 0.00 SOLV H ATOM 7995 OH2 TIP3 1989 44.870 50.996 15.884 1.00 0.00 SOLV O ATOM 7996 H1 TIP3 1989 44.321 51.604 16.431 1.00 0.00 SOLV H ATOM 7997 H2 TIP3 1989 44.374 51.067 15.048 1.00 0.00 SOLV H ATOM 7998 OH2 TIP3 1990 50.525 46.414 3.067 1.00 0.00 SOLV O ATOM 7999 H1 TIP3 1990 51.026 46.734 3.854 1.00 0.00 SOLV H ATOM 8000 H2 TIP3 1990 51.031 46.859 2.345 1.00 0.00 SOLV H ATOM 8001 OH2 TIP3 1991 41.758 47.552 14.931 1.00 0.00 SOLV O ATOM 8002 H1 TIP3 1991 41.618 48.046 15.774 1.00 0.00 SOLV H ATOM 8003 H2 TIP3 1991 40.863 47.146 14.871 1.00 0.00 SOLV H ATOM 8004 OH2 TIP3 1992 48.388 52.871 6.709 1.00 0.00 SOLV O ATOM 8005 H1 TIP3 1992 49.264 53.220 6.976 1.00 0.00 SOLV H ATOM 8006 H2 TIP3 1992 48.048 53.582 6.152 1.00 0.00 SOLV H ATOM 8007 OH2 TIP3 1993 42.939 52.792 16.586 1.00 0.00 SOLV O ATOM 8008 H1 TIP3 1993 42.881 53.143 15.678 1.00 0.00 SOLV H ATOM 8009 H2 TIP3 1993 41.990 52.679 16.820 1.00 0.00 SOLV H ATOM 8010 OH2 TIP3 1994 54.380 37.984 2.999 1.00 0.00 SOLV O ATOM 8011 H1 TIP3 1994 53.484 38.267 3.281 1.00 0.00 SOLV H ATOM 8012 H2 TIP3 1994 54.767 38.844 2.718 1.00 0.00 SOLV H ATOM 8013 OH2 TIP3 1995 42.454 47.034 5.051 1.00 0.00 SOLV O ATOM 8014 H1 TIP3 1995 41.946 47.656 4.488 1.00 0.00 SOLV H ATOM 8015 H2 TIP3 1995 42.172 46.179 4.706 1.00 0.00 SOLV H ATOM 8016 OH2 TIP3 1996 38.434 49.293 13.977 1.00 0.00 SOLV O ATOM 8017 H1 TIP3 1996 37.894 49.445 13.169 1.00 0.00 SOLV H ATOM 8018 H2 TIP3 1996 38.582 48.330 13.953 1.00 0.00 SOLV H ATOM 8019 OH2 TIP3 1997 38.305 52.204 10.615 1.00 0.00 SOLV O ATOM 8020 H1 TIP3 1997 39.239 52.091 10.843 1.00 0.00 SOLV H ATOM 8021 H2 TIP3 1997 38.043 52.915 11.223 1.00 0.00 SOLV H ATOM 8022 OH2 TIP3 1998 56.503 52.893 16.676 1.00 0.00 SOLV O ATOM 8023 H1 TIP3 1998 56.326 51.937 16.593 1.00 0.00 SOLV H ATOM 8024 H2 TIP3 1998 55.615 53.211 16.953 1.00 0.00 SOLV H ATOM 8025 OH2 TIP3 1999 47.290 52.206 15.261 1.00 0.00 SOLV O ATOM 8026 H1 TIP3 1999 47.297 53.071 15.733 1.00 0.00 SOLV H ATOM 8027 H2 TIP3 1999 46.432 51.841 15.559 1.00 0.00 SOLV H ATOM 8028 OH2 TIP3 2000 48.156 55.896 5.087 1.00 0.00 SOLV O ATOM 8029 H1 TIP3 2000 47.900 56.017 4.157 1.00 0.00 SOLV H ATOM 8030 H2 TIP3 2000 47.857 56.730 5.496 1.00 0.00 SOLV H ATOM 8031 OH2 TIP3 2001 41.505 54.762 7.073 1.00 0.00 SOLV O ATOM 8032 H1 TIP3 2001 41.669 54.438 7.985 1.00 0.00 SOLV H ATOM 8033 H2 TIP3 2001 40.975 54.035 6.700 1.00 0.00 SOLV H ATOM 8034 OH2 TIP3 2002 50.730 55.152 2.159 1.00 0.00 SOLV O ATOM 8035 H1 TIP3 2002 51.522 54.694 1.803 1.00 0.00 SOLV H ATOM 8036 H2 TIP3 2002 50.880 55.060 3.120 1.00 0.00 SOLV H ATOM 8037 OH2 TIP3 2003 50.762 55.192 4.892 1.00 0.00 SOLV O ATOM 8038 H1 TIP3 2003 49.798 55.352 4.997 1.00 0.00 SOLV H ATOM 8039 H2 TIP3 2003 50.936 54.611 5.654 1.00 0.00 SOLV H ATOM 8040 OH2 TIP3 2004 53.469 44.116 16.886 1.00 0.00 SOLV O ATOM 8041 H1 TIP3 2004 52.838 44.453 16.229 1.00 0.00 SOLV H ATOM 8042 H2 TIP3 2004 53.554 43.180 16.608 1.00 0.00 SOLV H ATOM 8043 OH2 TIP3 2005 40.663 50.761 14.637 1.00 0.00 SOLV O ATOM 8044 H1 TIP3 2005 40.761 50.516 15.579 1.00 0.00 SOLV H ATOM 8045 H2 TIP3 2005 39.840 50.275 14.400 1.00 0.00 SOLV H ATOM 8046 OH2 TIP3 2006 43.416 39.033 11.000 1.00 0.00 SOLV O ATOM 8047 H1 TIP3 2006 42.663 38.965 10.379 1.00 0.00 SOLV H ATOM 8048 H2 TIP3 2006 43.074 39.734 11.588 1.00 0.00 SOLV H ATOM 8049 OH2 TIP3 2007 48.183 38.816 14.336 1.00 0.00 SOLV O ATOM 8050 H1 TIP3 2007 48.619 38.222 14.977 1.00 0.00 SOLV H ATOM 8051 H2 TIP3 2007 47.232 38.623 14.472 1.00 0.00 SOLV H ATOM 8052 OH2 TIP3 2008 51.097 42.535 15.160 1.00 0.00 SOLV O ATOM 8053 H1 TIP3 2008 50.414 42.516 15.865 1.00 0.00 SOLV H ATOM 8054 H2 TIP3 2008 51.173 43.488 14.954 1.00 0.00 SOLV H ATOM 8055 OH2 TIP3 2009 51.909 47.658 1.089 1.00 0.00 SOLV O ATOM 8056 H1 TIP3 2009 51.664 47.693 0.140 1.00 0.00 SOLV H ATOM 8057 H2 TIP3 2009 52.875 47.624 1.005 1.00 0.00 SOLV H ATOM 8058 OH2 TIP3 2010 47.919 41.306 1.614 1.00 0.00 SOLV O ATOM 8059 H1 TIP3 2010 47.457 41.099 2.460 1.00 0.00 SOLV H ATOM 8060 H2 TIP3 2010 47.450 40.714 1.016 1.00 0.00 SOLV H ATOM 8061 OH2 TIP3 2011 43.482 44.293 12.267 1.00 0.00 SOLV O ATOM 8062 H1 TIP3 2011 42.705 44.351 12.865 1.00 0.00 SOLV H ATOM 8063 H2 TIP3 2011 43.620 45.229 12.012 1.00 0.00 SOLV H ATOM 8064 OH2 TIP3 2012 43.426 44.141 7.101 1.00 0.00 SOLV O ATOM 8065 H1 TIP3 2012 42.464 44.013 6.952 1.00 0.00 SOLV H ATOM 8066 H2 TIP3 2012 43.772 43.878 6.218 1.00 0.00 SOLV H ATOM 8067 OH2 TIP3 2013 49.038 44.524 5.829 1.00 0.00 SOLV O ATOM 8068 H1 TIP3 2013 48.816 45.395 5.439 1.00 0.00 SOLV H ATOM 8069 H2 TIP3 2013 49.711 44.179 5.215 1.00 0.00 SOLV H ATOM 8070 OH2 TIP3 2014 48.143 44.784 17.065 1.00 0.00 SOLV O ATOM 8071 H1 TIP3 2014 47.638 44.039 17.454 1.00 0.00 SOLV H ATOM 8072 H2 TIP3 2014 48.982 44.712 17.566 1.00 0.00 SOLV H ATOM 8073 OH2 TIP3 2015 49.896 44.036 8.421 1.00 0.00 SOLV O ATOM 8074 H1 TIP3 2015 49.489 44.471 7.642 1.00 0.00 SOLV H ATOM 8075 H2 TIP3 2015 50.348 43.311 7.935 1.00 0.00 SOLV H ATOM 8076 OH2 TIP3 2016 41.240 44.303 13.900 1.00 0.00 SOLV O ATOM 8077 H1 TIP3 2016 40.848 44.725 14.680 1.00 0.00 SOLV H ATOM 8078 H2 TIP3 2016 40.933 43.381 14.028 1.00 0.00 SOLV H ATOM 8079 OH2 TIP3 2017 43.963 41.330 0.169 1.00 0.00 SOLV O ATOM 8080 H1 TIP3 2017 43.962 41.200 1.136 1.00 0.00 SOLV H ATOM 8081 H2 TIP3 2017 43.964 42.299 0.096 1.00 0.00 SOLV H ATOM 8082 OH2 TIP3 2018 37.802 41.211 7.716 1.00 0.00 SOLV O ATOM 8083 H1 TIP3 2018 38.393 41.304 8.490 1.00 0.00 SOLV H ATOM 8084 H2 TIP3 2018 38.405 40.943 7.006 1.00 0.00 SOLV H ATOM 8085 OH2 TIP3 2019 38.652 42.193 2.960 1.00 0.00 SOLV O ATOM 8086 H1 TIP3 2019 39.469 42.453 2.502 1.00 0.00 SOLV H ATOM 8087 H2 TIP3 2019 38.241 43.055 3.156 1.00 0.00 SOLV H ATOM 8088 OH2 TIP3 2020 49.376 45.540 13.068 1.00 0.00 SOLV O ATOM 8089 H1 TIP3 2020 49.676 44.894 12.385 1.00 0.00 SOLV H ATOM 8090 H2 TIP3 2020 48.641 45.041 13.477 1.00 0.00 SOLV H ATOM 8091 OH2 TIP3 2021 46.459 41.769 8.053 1.00 0.00 SOLV O ATOM 8092 H1 TIP3 2021 45.571 41.553 8.375 1.00 0.00 SOLV H ATOM 8093 H2 TIP3 2021 47.024 41.212 8.629 1.00 0.00 SOLV H ATOM 8094 OH2 TIP3 2022 40.822 43.347 6.717 1.00 0.00 SOLV O ATOM 8095 H1 TIP3 2022 40.051 43.830 6.326 1.00 0.00 SOLV H ATOM 8096 H2 TIP3 2022 40.720 42.476 6.311 1.00 0.00 SOLV H ATOM 8097 OH2 TIP3 2023 44.241 43.218 4.669 1.00 0.00 SOLV O ATOM 8098 H1 TIP3 2023 45.215 43.156 4.775 1.00 0.00 SOLV H ATOM 8099 H2 TIP3 2023 44.126 43.872 3.950 1.00 0.00 SOLV H ATOM 8100 OH2 TIP3 2024 50.359 41.049 11.354 1.00 0.00 SOLV O ATOM 8101 H1 TIP3 2024 49.684 41.115 12.054 1.00 0.00 SOLV H ATOM 8102 H2 TIP3 2024 49.848 40.624 10.641 1.00 0.00 SOLV H ATOM 8103 OH2 TIP3 2025 43.354 44.808 2.627 1.00 0.00 SOLV O ATOM 8104 H1 TIP3 2025 42.574 44.325 2.317 1.00 0.00 SOLV H ATOM 8105 H2 TIP3 2025 43.885 44.869 1.814 1.00 0.00 SOLV H ATOM 8106 OH2 TIP3 2026 53.865 56.569 17.703 1.00 0.00 SOLV O ATOM 8107 H1 TIP3 2026 54.112 57.034 16.885 1.00 0.00 SOLV H ATOM 8108 H2 TIP3 2026 54.609 56.809 18.291 1.00 0.00 SOLV H ATOM 8109 OH2 TIP3 2027 41.553 49.242 17.035 1.00 0.00 SOLV O ATOM 8110 H1 TIP3 2027 42.159 49.352 17.799 1.00 0.00 SOLV H ATOM 8111 H2 TIP3 2027 40.696 49.204 17.515 1.00 0.00 SOLV H ATOM 8112 OH2 TIP3 2028 47.169 44.596 9.832 1.00 0.00 SOLV O ATOM 8113 H1 TIP3 2028 47.864 44.137 9.334 1.00 0.00 SOLV H ATOM 8114 H2 TIP3 2028 46.883 43.904 10.456 1.00 0.00 SOLV H ATOM 8115 OH2 TIP3 2029 45.978 43.070 12.174 1.00 0.00 SOLV O ATOM 8116 H1 TIP3 2029 45.136 43.566 12.198 1.00 0.00 SOLV H ATOM 8117 H2 TIP3 2029 46.494 43.462 12.905 1.00 0.00 SOLV H ATOM 8118 OH2 TIP3 2030 46.495 49.015 3.998 1.00 0.00 SOLV O ATOM 8119 H1 TIP3 2030 45.761 48.551 3.539 1.00 0.00 SOLV H ATOM 8120 H2 TIP3 2030 46.068 49.213 4.867 1.00 0.00 SOLV H ATOM 8121 OH2 TIP3 2031 53.665 48.399 12.522 1.00 0.00 SOLV O ATOM 8122 H1 TIP3 2031 54.199 48.993 11.955 1.00 0.00 SOLV H ATOM 8123 H2 TIP3 2031 52.898 48.193 11.943 1.00 0.00 SOLV H ATOM 8124 OH2 TIP3 2032 50.513 42.108 1.426 1.00 0.00 SOLV O ATOM 8125 H1 TIP3 2032 49.609 41.752 1.592 1.00 0.00 SOLV H ATOM 8126 H2 TIP3 2032 50.675 42.607 2.247 1.00 0.00 SOLV H ATOM 8127 OH2 TIP3 2033 47.732 49.357 15.240 1.00 0.00 SOLV O ATOM 8128 H1 TIP3 2033 48.326 49.158 15.977 1.00 0.00 SOLV H ATOM 8129 H2 TIP3 2033 47.704 50.330 15.247 1.00 0.00 SOLV H ATOM 8130 OH2 TIP3 2034 51.090 43.639 3.825 1.00 0.00 SOLV O ATOM 8131 H1 TIP3 2034 51.965 43.528 4.255 1.00 0.00 SOLV H ATOM 8132 H2 TIP3 2034 51.125 44.569 3.534 1.00 0.00 SOLV H ATOM 8133 OH2 TIP3 2035 41.974 48.603 9.809 1.00 0.00 SOLV O ATOM 8134 H1 TIP3 2035 42.456 48.388 8.982 1.00 0.00 SOLV H ATOM 8135 H2 TIP3 2035 41.697 47.732 10.119 1.00 0.00 SOLV H ATOM 8136 OH2 TIP3 2036 48.583 50.493 3.103 1.00 0.00 SOLV O ATOM 8137 H1 TIP3 2036 48.252 51.403 3.292 1.00 0.00 SOLV H ATOM 8138 H2 TIP3 2036 47.822 49.958 3.424 1.00 0.00 SOLV H ATOM 8139 OH2 TIP3 2037 39.166 46.598 14.927 1.00 0.00 SOLV O ATOM 8140 H1 TIP3 2037 39.071 46.353 15.872 1.00 0.00 SOLV H ATOM 8141 H2 TIP3 2037 38.329 46.244 14.577 1.00 0.00 SOLV H ATOM 8142 OH2 TIP3 2038 45.970 46.498 17.046 1.00 0.00 SOLV O ATOM 8143 H1 TIP3 2038 45.525 45.691 16.762 1.00 0.00 SOLV H ATOM 8144 H2 TIP3 2038 46.906 46.226 16.926 1.00 0.00 SOLV H ATOM 8145 OH2 TIP3 2039 50.059 51.724 15.205 1.00 0.00 SOLV O ATOM 8146 H1 TIP3 2039 49.127 51.980 15.086 1.00 0.00 SOLV H ATOM 8147 H2 TIP3 2039 50.229 52.075 16.107 1.00 0.00 SOLV H ATOM 8148 OH2 TIP3 2040 56.132 50.028 16.330 1.00 0.00 SOLV O ATOM 8149 H1 TIP3 2040 55.215 50.132 15.994 1.00 0.00 SOLV H ATOM 8150 H2 TIP3 2040 56.597 49.843 15.482 1.00 0.00 SOLV H ATOM 8151 OH2 TIP3 2041 51.525 47.704 10.810 1.00 0.00 SOLV O ATOM 8152 H1 TIP3 2041 50.561 47.599 10.703 1.00 0.00 SOLV H ATOM 8153 H2 TIP3 2041 51.844 46.919 10.318 1.00 0.00 SOLV H ATOM 8154 OH2 TIP3 2042 44.224 52.035 7.208 1.00 0.00 SOLV O ATOM 8155 H1 TIP3 2042 44.425 52.924 6.855 1.00 0.00 SOLV H ATOM 8156 H2 TIP3 2042 43.271 51.991 7.076 1.00 0.00 SOLV H ATOM 8157 OH2 TIP3 2043 39.912 46.639 1.797 1.00 0.00 SOLV O ATOM 8158 H1 TIP3 2043 40.366 47.372 2.260 1.00 0.00 SOLV H ATOM 8159 H2 TIP3 2043 38.993 46.758 2.114 1.00 0.00 SOLV H ATOM 8160 OH2 TIP3 2044 45.156 49.590 6.264 1.00 0.00 SOLV O ATOM 8161 H1 TIP3 2044 44.955 50.471 6.637 1.00 0.00 SOLV H ATOM 8162 H2 TIP3 2044 44.593 49.011 6.809 1.00 0.00 SOLV H ATOM 8163 OH2 TIP3 2045 46.023 53.842 12.978 1.00 0.00 SOLV O ATOM 8164 H1 TIP3 2045 46.630 54.587 12.772 1.00 0.00 SOLV H ATOM 8165 H2 TIP3 2045 46.605 53.273 13.507 1.00 0.00 SOLV H ATOM 8166 OH2 TIP3 2046 44.113 54.752 6.125 1.00 0.00 SOLV O ATOM 8167 H1 TIP3 2046 43.185 54.916 6.390 1.00 0.00 SOLV H ATOM 8168 H2 TIP3 2046 44.546 55.574 6.452 1.00 0.00 SOLV H ATOM 8169 OH2 TIP3 2047 49.054 49.711 12.741 1.00 0.00 SOLV O ATOM 8170 H1 TIP3 2047 48.687 49.394 13.588 1.00 0.00 SOLV H ATOM 8171 H2 TIP3 2047 49.796 49.105 12.606 1.00 0.00 SOLV H ATOM 8172 OH2 TIP3 2048 52.067 50.766 2.044 1.00 0.00 SOLV O ATOM 8173 H1 TIP3 2048 51.872 50.329 2.900 1.00 0.00 SOLV H ATOM 8174 H2 TIP3 2048 51.181 50.982 1.729 1.00 0.00 SOLV H ATOM 8175 OH2 TIP3 2049 52.170 54.200 14.928 1.00 0.00 SOLV O ATOM 8176 H1 TIP3 2049 51.320 53.915 14.538 1.00 0.00 SOLV H ATOM 8177 H2 TIP3 2049 52.347 55.004 14.391 1.00 0.00 SOLV H ATOM 8178 OH2 TIP3 2050 56.437 55.569 1.811 1.00 0.00 SOLV O ATOM 8179 H1 TIP3 2050 57.015 56.271 2.178 1.00 0.00 SOLV H ATOM 8180 H2 TIP3 2050 55.567 55.892 2.122 1.00 0.00 SOLV H ATOM 8181 OH2 TIP3 2051 40.211 41.676 14.470 1.00 0.00 SOLV O ATOM 8182 H1 TIP3 2051 39.250 41.821 14.388 1.00 0.00 SOLV H ATOM 8183 H2 TIP3 2051 40.243 41.012 15.184 1.00 0.00 SOLV H ATOM 8184 OH2 TIP3 2052 52.887 49.240 4.127 1.00 0.00 SOLV O ATOM 8185 H1 TIP3 2052 52.366 48.539 4.581 1.00 0.00 SOLV H ATOM 8186 H2 TIP3 2052 53.700 49.221 4.672 1.00 0.00 SOLV H ATOM 8187 OH2 TIP3 2053 40.028 53.357 12.800 1.00 0.00 SOLV O ATOM 8188 H1 TIP3 2053 40.339 52.563 13.266 1.00 0.00 SOLV H ATOM 8189 H2 TIP3 2053 40.101 54.034 13.486 1.00 0.00 SOLV H ATOM 8190 OH2 TIP3 2054 45.873 51.922 0.358 1.00 0.00 SOLV O ATOM 8191 H1 TIP3 2054 45.847 51.109 -0.171 1.00 0.00 SOLV H ATOM 8192 H2 TIP3 2054 45.302 51.709 1.126 1.00 0.00 SOLV H ATOM 8193 OH2 TIP3 2055 44.515 51.532 2.765 1.00 0.00 SOLV O ATOM 8194 H1 TIP3 2055 45.035 51.026 3.405 1.00 0.00 SOLV H ATOM 8195 H2 TIP3 2055 44.650 52.449 3.098 1.00 0.00 SOLV H ATOM 8196 OH2 TIP3 2056 40.972 48.683 3.359 1.00 0.00 SOLV O ATOM 8197 H1 TIP3 2056 40.248 49.153 3.826 1.00 0.00 SOLV H ATOM 8198 H2 TIP3 2056 41.364 49.433 2.865 1.00 0.00 SOLV H ATOM 8199 OH2 TIP3 2057 48.911 41.445 13.805 1.00 0.00 SOLV O ATOM 8200 H1 TIP3 2057 49.805 41.521 14.187 1.00 0.00 SOLV H ATOM 8201 H2 TIP3 2057 48.658 40.521 14.027 1.00 0.00 SOLV H ATOM 8202 OH2 TIP3 2058 50.095 40.730 4.830 1.00 0.00 SOLV O ATOM 8203 H1 TIP3 2058 50.237 41.339 4.096 1.00 0.00 SOLV H ATOM 8204 H2 TIP3 2058 50.446 41.264 5.576 1.00 0.00 SOLV H ATOM 8205 OH2 TIP3 2059 47.538 52.924 3.496 1.00 0.00 SOLV O ATOM 8206 H1 TIP3 2059 46.700 53.391 3.691 1.00 0.00 SOLV H ATOM 8207 H2 TIP3 2059 47.748 53.262 2.605 1.00 0.00 SOLV H ATOM 8208 OH2 TIP3 2060 46.840 42.840 5.572 1.00 0.00 SOLV O ATOM 8209 H1 TIP3 2060 47.614 43.429 5.697 1.00 0.00 SOLV H ATOM 8210 H2 TIP3 2060 46.699 42.527 6.496 1.00 0.00 SOLV H ATOM 8211 OH2 TIP3 2061 47.603 43.820 14.338 1.00 0.00 SOLV O ATOM 8212 H1 TIP3 2061 47.854 44.014 15.260 1.00 0.00 SOLV H ATOM 8213 H2 TIP3 2061 48.028 42.944 14.184 1.00 0.00 SOLV H ATOM 8214 OH2 TIP3 2062 48.214 39.499 6.497 1.00 0.00 SOLV O ATOM 8215 H1 TIP3 2062 47.421 40.055 6.487 1.00 0.00 SOLV H ATOM 8216 H2 TIP3 2062 48.760 39.908 5.795 1.00 0.00 SOLV H ATOM 8217 OH2 TIP3 2063 45.042 54.046 3.665 1.00 0.00 SOLV O ATOM 8218 H1 TIP3 2063 45.026 54.898 3.174 1.00 0.00 SOLV H ATOM 8219 H2 TIP3 2063 44.691 54.323 4.542 1.00 0.00 SOLV H ATOM 8220 OH2 TIP3 2064 43.447 41.007 3.061 1.00 0.00 SOLV O ATOM 8221 H1 TIP3 2064 43.755 41.743 3.629 1.00 0.00 SOLV H ATOM 8222 H2 TIP3 2064 43.579 40.273 3.712 1.00 0.00 SOLV H ATOM 8223 OH2 TIP3 2065 53.634 41.648 15.583 1.00 0.00 SOLV O ATOM 8224 H1 TIP3 2065 52.685 41.813 15.391 1.00 0.00 SOLV H ATOM 8225 H2 TIP3 2065 53.918 41.291 14.729 1.00 0.00 SOLV H ATOM 8226 OH2 TIP3 2066 52.311 45.342 9.391 1.00 0.00 SOLV O ATOM 8227 H1 TIP3 2066 51.473 44.896 9.171 1.00 0.00 SOLV H ATOM 8228 H2 TIP3 2066 52.777 44.653 9.912 1.00 0.00 SOLV H ATOM 8229 OH2 TIP3 2067 41.862 50.915 1.945 1.00 0.00 SOLV O ATOM 8230 H1 TIP3 2067 42.676 51.277 2.352 1.00 0.00 SOLV H ATOM 8231 H2 TIP3 2067 42.282 50.359 1.251 1.00 0.00 SOLV H ATOM 8232 OH2 TIP3 2068 40.466 44.067 1.207 1.00 0.00 SOLV O ATOM 8233 H1 TIP3 2068 40.282 45.000 1.469 1.00 0.00 SOLV H ATOM 8234 H2 TIP3 2068 39.743 43.901 0.591 1.00 0.00 SOLV H ATOM 8235 OH2 TIP3 2069 53.503 54.804 11.097 1.00 0.00 SOLV O ATOM 8236 H1 TIP3 2069 53.365 55.479 10.395 1.00 0.00 SOLV H ATOM 8237 H2 TIP3 2069 54.482 54.843 11.187 1.00 0.00 SOLV H ATOM 8238 OH2 TIP3 2070 40.832 38.867 9.952 1.00 0.00 SOLV O ATOM 8239 H1 TIP3 2070 40.723 38.794 8.972 1.00 0.00 SOLV H ATOM 8240 H2 TIP3 2070 40.474 38.008 10.245 1.00 0.00 SOLV H ATOM 8241 OH2 TIP3 2071 39.743 52.665 5.734 1.00 0.00 SOLV O ATOM 8242 H1 TIP3 2071 39.071 52.897 6.389 1.00 0.00 SOLV H ATOM 8243 H2 TIP3 2071 39.590 53.339 5.028 1.00 0.00 SOLV H ATOM 8244 OH2 TIP3 2072 39.235 55.654 17.594 1.00 0.00 SOLV O ATOM 8245 H1 TIP3 2072 39.916 55.454 18.282 1.00 0.00 SOLV H ATOM 8246 H2 TIP3 2072 38.950 54.760 17.355 1.00 0.00 SOLV H ATOM 8247 OH2 TIP3 2073 43.419 54.006 19.034 1.00 0.00 SOLV O ATOM 8248 H1 TIP3 2073 44.356 53.891 19.236 1.00 0.00 SOLV H ATOM 8249 H2 TIP3 2073 43.346 53.564 18.164 1.00 0.00 SOLV H ATOM 8250 OH2 TIP3 2074 47.995 53.520 0.825 1.00 0.00 SOLV O ATOM 8251 H1 TIP3 2074 47.265 52.892 0.614 1.00 0.00 SOLV H ATOM 8252 H2 TIP3 2074 48.117 53.978 -0.028 1.00 0.00 SOLV H ATOM 8253 OH2 TIP3 2075 50.201 52.547 17.807 1.00 0.00 SOLV O ATOM 8254 H1 TIP3 2075 49.911 51.738 18.291 1.00 0.00 SOLV H ATOM 8255 H2 TIP3 2075 50.937 52.864 18.370 1.00 0.00 SOLV H ATOM 8256 OH2 TIP3 2076 52.767 53.594 1.168 1.00 0.00 SOLV O ATOM 8257 H1 TIP3 2076 52.560 52.668 0.985 1.00 0.00 SOLV H ATOM 8258 H2 TIP3 2076 53.073 53.910 0.293 1.00 0.00 SOLV H ATOM 8259 OH2 TIP3 2077 39.112 49.294 18.314 1.00 0.00 SOLV O ATOM 8260 H1 TIP3 2077 38.915 48.418 18.693 1.00 0.00 SOLV H ATOM 8261 H2 TIP3 2077 38.362 49.444 17.699 1.00 0.00 SOLV H ATOM 8262 OH2 TIP3 2078 43.511 49.214 0.637 1.00 0.00 SOLV O ATOM 8263 H1 TIP3 2078 43.891 48.730 1.404 1.00 0.00 SOLV H ATOM 8264 H2 TIP3 2078 44.291 49.488 0.152 1.00 0.00 SOLV H ATOM 8265 OH2 TIP3 2079 45.609 49.278 17.919 1.00 0.00 SOLV O ATOM 8266 H1 TIP3 2079 45.569 49.835 17.112 1.00 0.00 SOLV H ATOM 8267 H2 TIP3 2079 45.940 48.430 17.566 1.00 0.00 SOLV H ATOM 8268 OH2 TIP3 2080 48.817 50.082 0.386 1.00 0.00 SOLV O ATOM 8269 H1 TIP3 2080 48.675 50.231 1.347 1.00 0.00 SOLV H ATOM 8270 H2 TIP3 2080 49.297 49.242 0.391 1.00 0.00 SOLV H ATOM 8271 OH2 TIP3 2081 51.310 49.295 15.399 1.00 0.00 SOLV O ATOM 8272 H1 TIP3 2081 52.239 49.546 15.227 1.00 0.00 SOLV H ATOM 8273 H2 TIP3 2081 50.864 50.154 15.237 1.00 0.00 SOLV H ATOM 8274 OH2 TIP3 2082 40.029 46.068 17.778 1.00 0.00 SOLV O ATOM 8275 H1 TIP3 2082 39.545 45.269 18.084 1.00 0.00 SOLV H ATOM 8276 H2 TIP3 2082 40.179 46.499 18.644 1.00 0.00 SOLV H ATOM 8277 OH2 TIP3 2083 44.526 47.654 2.642 1.00 0.00 SOLV O ATOM 8278 H1 TIP3 2083 43.917 47.173 3.226 1.00 0.00 SOLV H ATOM 8279 H2 TIP3 2083 44.924 46.913 2.134 1.00 0.00 SOLV H ATOM 8280 OH2 TIP3 2084 45.745 45.714 1.073 1.00 0.00 SOLV O ATOM 8281 H1 TIP3 2084 45.722 45.305 0.202 1.00 0.00 SOLV H ATOM 8282 H2 TIP3 2084 46.704 45.640 1.281 1.00 0.00 SOLV H ATOM 8283 OH2 TIP3 2085 48.919 47.877 18.522 1.00 0.00 SOLV O ATOM 8284 H1 TIP3 2085 49.742 47.505 18.175 1.00 0.00 SOLV H ATOM 8285 H2 TIP3 2085 48.621 47.173 19.126 1.00 0.00 SOLV H ATOM 8286 OH2 TIP3 2086 54.612 48.147 0.615 1.00 0.00 SOLV O ATOM 8287 H1 TIP3 2086 54.708 47.331 0.094 1.00 0.00 SOLV H ATOM 8288 H2 TIP3 2086 55.075 48.783 0.014 1.00 0.00 SOLV H ATOM 8289 OH2 TIP3 2087 44.333 42.769 15.985 1.00 0.00 SOLV O ATOM 8290 H1 TIP3 2087 44.451 41.868 15.625 1.00 0.00 SOLV H ATOM 8291 H2 TIP3 2087 44.164 43.235 15.158 1.00 0.00 SOLV H ATOM 8292 OH2 TIP3 2088 44.668 41.049 13.810 1.00 0.00 SOLV O ATOM 8293 H1 TIP3 2088 45.226 41.514 13.157 1.00 0.00 SOLV H ATOM 8294 H2 TIP3 2088 43.795 41.043 13.357 1.00 0.00 SOLV H ATOM 8295 OH2 TIP3 2089 50.360 44.439 18.698 1.00 0.00 SOLV O ATOM 8296 H1 TIP3 2089 50.619 43.508 18.639 1.00 0.00 SOLV H ATOM 8297 H2 TIP3 2089 51.218 44.891 18.670 1.00 0.00 SOLV H ATOM 8298 OH2 TIP3 2090 51.817 47.208 17.024 1.00 0.00 SOLV O ATOM 8299 H1 TIP3 2090 51.519 47.982 16.487 1.00 0.00 SOLV H ATOM 8300 H2 TIP3 2090 52.792 47.304 16.925 1.00 0.00 SOLV H ATOM 8301 OH2 TIP3 2091 42.671 43.360 18.385 1.00 0.00 SOLV O ATOM 8302 H1 TIP3 2091 41.706 43.269 18.300 1.00 0.00 SOLV H ATOM 8303 H2 TIP3 2091 42.983 43.182 17.479 1.00 0.00 SOLV H ATOM 8304 OH2 TIP3 2092 45.386 38.385 14.210 1.00 0.00 SOLV O ATOM 8305 H1 TIP3 2092 45.079 39.300 14.039 1.00 0.00 SOLV H ATOM 8306 H2 TIP3 2092 44.673 37.862 13.785 1.00 0.00 SOLV H ATOM 8307 OH2 TIP3 2093 46.589 42.625 17.683 1.00 0.00 SOLV O ATOM 8308 H1 TIP3 2093 46.131 42.193 18.438 1.00 0.00 SOLV H ATOM 8309 H2 TIP3 2093 45.833 42.669 17.062 1.00 0.00 SOLV H ATOM 8310 OH2 TIP3 2094 49.209 41.949 17.120 1.00 0.00 SOLV O ATOM 8311 H1 TIP3 2094 48.273 42.160 17.322 1.00 0.00 SOLV H ATOM 8312 H2 TIP3 2094 49.227 41.012 17.341 1.00 0.00 SOLV H ATOM 8313 OH2 TIP3 2095 45.476 37.779 16.864 1.00 0.00 SOLV O ATOM 8314 H1 TIP3 2095 46.062 37.003 16.760 1.00 0.00 SOLV H ATOM 8315 H2 TIP3 2095 45.339 38.009 15.922 1.00 0.00 SOLV H ATOM 8316 OH2 TIP3 2096 46.257 39.528 18.811 1.00 0.00 SOLV O ATOM 8317 H1 TIP3 2096 45.935 38.964 18.072 1.00 0.00 SOLV H ATOM 8318 H2 TIP3 2096 45.549 40.197 18.892 1.00 0.00 SOLV H ATOM 8319 OH2 TIP3 2097 45.387 56.326 2.186 1.00 0.00 SOLV O ATOM 8320 H1 TIP3 2097 46.364 56.310 2.132 1.00 0.00 SOLV H ATOM 8321 H2 TIP3 2097 45.155 57.025 1.566 1.00 0.00 SOLV H ATOM 8322 OH2 TIP3 2098 39.073 51.194 1.712 1.00 0.00 SOLV O ATOM 8323 H1 TIP3 2098 40.054 51.237 1.692 1.00 0.00 SOLV H ATOM 8324 H2 TIP3 2098 38.874 50.563 1.004 1.00 0.00 SOLV H ATOM 8325 OH2 TIP3 2099 38.053 56.304 6.775 1.00 0.00 SOLV O ATOM 8326 H1 TIP3 2099 37.453 55.943 6.084 1.00 0.00 SOLV H ATOM 8327 H2 TIP3 2099 38.213 55.498 7.309 1.00 0.00 SOLV H ATOM 8328 OH2 TIP3 2100 38.574 54.142 8.433 1.00 0.00 SOLV O ATOM 8329 H1 TIP3 2100 38.141 53.431 8.938 1.00 0.00 SOLV H ATOM 8330 H2 TIP3 2100 39.046 54.598 9.152 1.00 0.00 SOLV H ATOM 8331 OH2 TIP3 2101 56.162 55.134 11.624 1.00 0.00 SOLV O ATOM 8332 H1 TIP3 2101 56.181 55.233 12.594 1.00 0.00 SOLV H ATOM 8333 H2 TIP3 2101 57.014 55.515 11.360 1.00 0.00 SOLV H ATOM 8334 OH2 TIP3 2102 55.623 54.756 14.386 1.00 0.00 SOLV O ATOM 8335 H1 TIP3 2102 55.092 54.006 14.045 1.00 0.00 SOLV H ATOM 8336 H2 TIP3 2102 56.174 54.287 15.033 1.00 0.00 SOLV H ATOM 8337 OH2 TIP3 2103 54.108 50.467 19.150 1.00 0.00 SOLV O ATOM 8338 H1 TIP3 2103 53.276 50.590 19.648 1.00 0.00 SOLV H ATOM 8339 H2 TIP3 2103 54.642 51.219 19.480 1.00 0.00 SOLV H ATOM 8340 OH2 TIP3 2104 55.574 49.094 4.452 1.00 0.00 SOLV O ATOM 8341 H1 TIP3 2104 56.432 49.573 4.510 1.00 0.00 SOLV H ATOM 8342 H2 TIP3 2104 55.687 48.477 5.214 1.00 0.00 SOLV H ATOM 8343 OH2 TIP3 2105 55.802 47.128 6.335 1.00 0.00 SOLV O ATOM 8344 H1 TIP3 2105 55.004 46.627 6.612 1.00 0.00 SOLV H ATOM 8345 H2 TIP3 2105 56.365 47.064 7.133 1.00 0.00 SOLV H ATOM 8346 OH2 TIP3 2106 55.898 49.765 11.551 1.00 0.00 SOLV O ATOM 8347 H1 TIP3 2106 56.413 49.051 11.119 1.00 0.00 SOLV H ATOM 8348 H2 TIP3 2106 56.175 50.555 11.046 1.00 0.00 SOLV H ATOM 8349 OH2 TIP3 2107 54.038 52.563 13.657 1.00 0.00 SOLV O ATOM 8350 H1 TIP3 2107 53.270 53.024 14.048 1.00 0.00 SOLV H ATOM 8351 H2 TIP3 2107 53.728 52.385 12.743 1.00 0.00 SOLV H ATOM 8352 OH2 TIP3 2108 56.386 47.142 2.512 1.00 0.00 SOLV O ATOM 8353 H1 TIP3 2108 55.674 47.373 1.896 1.00 0.00 SOLV H ATOM 8354 H2 TIP3 2108 56.012 47.377 3.374 1.00 0.00 SOLV H ATOM 8355 OH2 TIP3 2109 54.232 44.511 0.924 1.00 0.00 SOLV O ATOM 8356 H1 TIP3 2109 55.185 44.385 0.873 1.00 0.00 SOLV H ATOM 8357 H2 TIP3 2109 53.948 43.640 1.252 1.00 0.00 SOLV H ATOM 8358 OH2 TIP3 2110 53.539 45.621 6.878 1.00 0.00 SOLV O ATOM 8359 H1 TIP3 2110 53.579 44.709 6.537 1.00 0.00 SOLV H ATOM 8360 H2 TIP3 2110 53.171 45.499 7.780 1.00 0.00 SOLV H ATOM 8361 OH2 TIP3 2111 38.475 47.467 10.985 1.00 0.00 SOLV O ATOM 8362 H1 TIP3 2111 38.585 47.311 10.021 1.00 0.00 SOLV H ATOM 8363 H2 TIP3 2111 39.359 47.183 11.305 1.00 0.00 SOLV H ATOM 8364 OH2 TIP3 2112 54.568 47.487 16.807 1.00 0.00 SOLV O ATOM 8365 H1 TIP3 2112 55.164 46.719 16.664 1.00 0.00 SOLV H ATOM 8366 H2 TIP3 2112 55.052 48.207 16.375 1.00 0.00 SOLV H ATOM 8367 OH2 TIP3 2113 55.988 45.158 16.690 1.00 0.00 SOLV O ATOM 8368 H1 TIP3 2113 55.096 44.763 16.799 1.00 0.00 SOLV H ATOM 8369 H2 TIP3 2113 56.546 44.388 16.936 1.00 0.00 SOLV H ATOM 8370 OH2 TIP3 2114 53.645 41.759 0.673 1.00 0.00 SOLV O ATOM 8371 H1 TIP3 2114 54.232 41.150 1.181 1.00 0.00 SOLV H ATOM 8372 H2 TIP3 2114 52.777 41.554 1.060 1.00 0.00 SOLV H ATOM 8373 OH2 TIP3 2115 53.591 43.085 5.207 1.00 0.00 SOLV O ATOM 8374 H1 TIP3 2115 53.585 42.110 5.369 1.00 0.00 SOLV H ATOM 8375 H2 TIP3 2115 54.499 43.121 4.824 1.00 0.00 SOLV H ATOM 8376 OH2 TIP3 2116 53.819 43.437 10.795 1.00 0.00 SOLV O ATOM 8377 H1 TIP3 2116 54.777 43.583 10.624 1.00 0.00 SOLV H ATOM 8378 H2 TIP3 2116 53.806 43.609 11.755 1.00 0.00 SOLV H ATOM 8379 OH2 TIP3 2117 54.175 44.306 13.475 1.00 0.00 SOLV O ATOM 8380 H1 TIP3 2117 53.353 44.687 13.832 1.00 0.00 SOLV H ATOM 8381 H2 TIP3 2117 54.714 45.112 13.316 1.00 0.00 SOLV H ATOM 8382 OH2 TIP3 2118 56.307 38.493 18.819 1.00 0.00 SOLV O ATOM 8383 H1 TIP3 2118 56.952 37.865 18.427 1.00 0.00 SOLV H ATOM 8384 H2 TIP3 2118 56.286 39.203 18.142 1.00 0.00 SOLV H ATOM 8385 OH2 TIP3 2119 53.365 40.462 5.735 1.00 0.00 SOLV O ATOM 8386 H1 TIP3 2119 53.902 39.959 6.376 1.00 0.00 SOLV H ATOM 8387 H2 TIP3 2119 52.935 39.743 5.231 1.00 0.00 SOLV H ATOM 8388 OH2 TIP3 2120 39.362 41.208 10.036 1.00 0.00 SOLV O ATOM 8389 H1 TIP3 2120 39.802 40.332 10.056 1.00 0.00 SOLV H ATOM 8390 H2 TIP3 2120 40.119 41.790 10.209 1.00 0.00 SOLV H ATOM 8391 OH2 TIP3 2121 37.607 44.051 10.751 1.00 0.00 SOLV O ATOM 8392 H1 TIP3 2121 38.346 44.094 10.113 1.00 0.00 SOLV H ATOM 8393 H2 TIP3 2121 37.861 44.714 11.401 1.00 0.00 SOLV H ATOM 8394 OH2 TIP3 2122 55.741 40.343 16.871 1.00 0.00 SOLV O ATOM 8395 H1 TIP3 2122 54.949 40.918 16.859 1.00 0.00 SOLV H ATOM 8396 H2 TIP3 2122 55.535 39.776 16.099 1.00 0.00 SOLV H ATOM 8397 OH2 TIP3 2123 55.546 40.331 2.170 1.00 0.00 SOLV O ATOM 8398 H1 TIP3 2123 56.088 40.616 1.400 1.00 0.00 SOLV H ATOM 8399 H2 TIP3 2123 55.822 40.993 2.851 1.00 0.00 SOLV H ATOM 8400 OH2 TIP3 2124 38.232 40.278 4.876 1.00 0.00 SOLV O ATOM 8401 H1 TIP3 2124 37.265 40.322 4.959 1.00 0.00 SOLV H ATOM 8402 H2 TIP3 2124 38.422 41.019 4.267 1.00 0.00 SOLV H ATOM 8403 OH2 TIP3 2125 52.980 55.327 7.091 1.00 0.00 SOLV O ATOM 8404 H1 TIP3 2125 53.720 55.407 6.457 1.00 0.00 SOLV H ATOM 8405 H2 TIP3 2125 53.315 55.814 7.866 1.00 0.00 SOLV H ATOM 8406 OH2 TIP3 2126 38.150 38.878 13.219 1.00 0.00 SOLV O ATOM 8407 H1 TIP3 2126 37.548 38.960 13.975 1.00 0.00 SOLV H ATOM 8408 H2 TIP3 2126 37.787 39.557 12.617 1.00 0.00 SOLV H ATOM 8409 OH2 TIP3 2127 40.329 52.502 17.388 1.00 0.00 SOLV O ATOM 8410 H1 TIP3 2127 39.411 52.598 17.065 1.00 0.00 SOLV H ATOM 8411 H2 TIP3 2127 40.184 52.204 18.295 1.00 0.00 SOLV H ATOM 8412 OH2 TIP3 2128 43.428 53.346 13.739 1.00 0.00 SOLV O ATOM 8413 H1 TIP3 2128 43.095 54.223 13.448 1.00 0.00 SOLV H ATOM 8414 H2 TIP3 2128 44.376 53.486 13.524 1.00 0.00 SOLV H ATOM 8415 OH2 TIP3 2129 47.407 54.646 16.547 1.00 0.00 SOLV O ATOM 8416 H1 TIP3 2129 47.553 54.391 17.485 1.00 0.00 SOLV H ATOM 8417 H2 TIP3 2129 48.231 55.152 16.376 1.00 0.00 SOLV H ATOM 8418 OH2 TIP3 2130 49.711 56.085 16.173 1.00 0.00 SOLV O ATOM 8419 H1 TIP3 2130 50.448 55.575 15.810 1.00 0.00 SOLV H ATOM 8420 H2 TIP3 2130 50.121 56.426 16.999 1.00 0.00 SOLV H ATOM 8421 OH2 TIP3 2131 54.856 38.498 14.971 1.00 0.00 SOLV O ATOM 8422 H1 TIP3 2131 54.084 38.571 14.381 1.00 0.00 SOLV H ATOM 8423 H2 TIP3 2131 55.124 37.563 14.800 1.00 0.00 SOLV H ATOM 8424 OH2 TIP3 2132 40.479 56.455 13.914 1.00 0.00 SOLV O ATOM 8425 H1 TIP3 2132 39.672 56.876 13.541 1.00 0.00 SOLV H ATOM 8426 H2 TIP3 2132 40.575 56.969 14.735 1.00 0.00 SOLV H ATOM 8427 OH2 TIP3 2133 43.055 55.991 13.011 1.00 0.00 SOLV O ATOM 8428 H1 TIP3 2133 42.126 56.202 13.258 1.00 0.00 SOLV H ATOM 8429 H2 TIP3 2133 43.167 56.535 12.205 1.00 0.00 SOLV H ATOM 8430 OH2 TIP3 2134 47.700 55.855 12.152 1.00 0.00 SOLV O ATOM 8431 H1 TIP3 2134 47.229 56.289 11.418 1.00 0.00 SOLV H ATOM 8432 H2 TIP3 2134 47.815 56.599 12.782 1.00 0.00 SOLV H ATOM 8433 OH2 TIP3 2135 50.043 54.624 13.154 1.00 0.00 SOLV O ATOM 8434 H1 TIP3 2135 49.235 55.049 12.805 1.00 0.00 SOLV H ATOM 8435 H2 TIP3 2135 50.712 55.310 12.977 1.00 0.00 SOLV H ATOM 8436 OH2 TIP3 2136 52.452 56.260 13.169 1.00 0.00 SOLV O ATOM 8437 H1 TIP3 2136 52.602 57.196 12.915 1.00 0.00 SOLV H ATOM 8438 H2 TIP3 2136 52.861 55.787 12.409 1.00 0.00 SOLV H ATOM 8439 OH2 TIP3 2137 40.063 55.136 10.635 1.00 0.00 SOLV O ATOM 8440 H1 TIP3 2137 40.008 54.609 11.460 1.00 0.00 SOLV H ATOM 8441 H2 TIP3 2137 40.855 54.708 10.236 1.00 0.00 SOLV H ATOM 8442 OH2 TIP3 2138 42.154 53.810 9.572 1.00 0.00 SOLV O ATOM 8443 H1 TIP3 2138 42.036 52.887 9.906 1.00 0.00 SOLV H ATOM 8444 H2 TIP3 2138 43.076 53.983 9.856 1.00 0.00 SOLV H ATOM 8445 OH2 TIP3 2139 44.800 54.107 10.486 1.00 0.00 SOLV O ATOM 8446 H1 TIP3 2139 44.996 53.184 10.241 1.00 0.00 SOLV H ATOM 8447 H2 TIP3 2139 45.122 54.102 11.409 1.00 0.00 SOLV H ATOM 8448 OH2 TIP3 2140 48.070 40.045 9.551 1.00 0.00 SOLV O ATOM 8449 H1 TIP3 2140 47.473 39.307 9.786 1.00 0.00 SOLV H ATOM 8450 H2 TIP3 2140 48.578 39.665 8.813 1.00 0.00 SOLV H ATOM 8451 OH2 TIP3 2141 53.211 38.149 9.563 1.00 0.00 SOLV O ATOM 8452 H1 TIP3 2141 53.826 38.612 8.955 1.00 0.00 SOLV H ATOM 8453 H2 TIP3 2141 52.337 38.385 9.183 1.00 0.00 SOLV H ATOM 8454 OH2 TIP3 2142 54.916 39.080 7.628 1.00 0.00 SOLV O ATOM 8455 H1 TIP3 2142 55.652 38.532 7.283 1.00 0.00 SOLV H ATOM 8456 H2 TIP3 2142 55.407 39.927 7.758 1.00 0.00 SOLV H ATOM 8457 OH2 TIP3 2143 40.367 38.632 7.307 1.00 0.00 SOLV O ATOM 8458 H1 TIP3 2143 39.506 38.360 6.933 1.00 0.00 SOLV H ATOM 8459 H2 TIP3 2143 40.965 37.983 6.897 1.00 0.00 SOLV H ATOM 8460 OH2 TIP3 2144 39.321 38.332 3.041 1.00 0.00 SOLV O ATOM 8461 H1 TIP3 2144 39.997 38.895 2.590 1.00 0.00 SOLV H ATOM 8462 H2 TIP3 2144 39.023 38.952 3.739 1.00 0.00 SOLV H ATOM 8463 OH2 TIP3 2145 50.718 38.703 8.546 1.00 0.00 SOLV O ATOM 8464 H1 TIP3 2145 50.534 38.605 7.603 1.00 0.00 SOLV H ATOM 8465 H2 TIP3 2145 50.282 37.903 8.917 1.00 0.00 SOLV H ATOM 8466 OH2 TIP3 2146 51.945 38.647 4.260 1.00 0.00 SOLV O ATOM 8467 H1 TIP3 2146 51.150 39.207 4.349 1.00 0.00 SOLV H ATOM 8468 H2 TIP3 2146 51.573 37.760 4.464 1.00 0.00 SOLV H ATOM 8469 OH2 TIP3 2147 39.368 54.572 3.856 1.00 0.00 SOLV O ATOM 8470 H1 TIP3 2147 38.636 54.430 3.235 1.00 0.00 SOLV H ATOM 8471 H2 TIP3 2147 39.483 55.541 3.763 1.00 0.00 SOLV H ATOM 8472 OH2 TIP3 2148 41.261 39.829 1.876 1.00 0.00 SOLV O ATOM 8473 H1 TIP3 2148 41.671 39.751 1.009 1.00 0.00 SOLV H ATOM 8474 H2 TIP3 2148 41.980 40.257 2.387 1.00 0.00 SOLV H ATOM 8475 OH2 TIP3 2149 46.561 40.654 3.860 1.00 0.00 SOLV O ATOM 8476 H1 TIP3 2149 45.858 40.096 4.272 1.00 0.00 SOLV H ATOM 8477 H2 TIP3 2149 46.648 41.364 4.521 1.00 0.00 SOLV H ATOM 8478 OH2 TIP3 2150 48.118 55.934 2.113 1.00 0.00 SOLV O ATOM 8479 H1 TIP3 2150 49.099 55.875 2.183 1.00 0.00 SOLV H ATOM 8480 H2 TIP3 2150 47.984 55.108 1.603 1.00 0.00 SOLV H ATOM 8481 OH2 TIP3 2151 54.917 55.262 5.094 1.00 0.00 SOLV O ATOM 8482 H1 TIP3 2151 54.609 54.436 4.702 1.00 0.00 SOLV H ATOM 8483 H2 TIP3 2151 54.759 55.894 4.356 1.00 0.00 SOLV H ATOM 8484 OH2 TIP3 2152 40.563 38.911 16.237 1.00 0.00 SOLV O ATOM 8485 H1 TIP3 2152 39.914 38.332 16.679 1.00 0.00 SOLV H ATOM 8486 H2 TIP3 2152 41.292 38.878 16.890 1.00 0.00 SOLV H ATOM 8487 OH2 TIP3 2153 42.426 38.481 18.291 1.00 0.00 SOLV O ATOM 8488 H1 TIP3 2153 43.305 38.096 18.161 1.00 0.00 SOLV H ATOM 8489 H2 TIP3 2153 41.977 37.766 18.792 1.00 0.00 SOLV H ATOM 8490 OH2 TIP3 2154 40.960 55.195 0.789 1.00 0.00 SOLV O ATOM 8491 H1 TIP3 2154 40.505 55.596 1.541 1.00 0.00 SOLV H ATOM 8492 H2 TIP3 2154 41.727 54.792 1.210 1.00 0.00 SOLV H ATOM 8493 OH2 TIP3 2155 53.934 53.871 17.130 1.00 0.00 SOLV O ATOM 8494 H1 TIP3 2155 53.304 53.863 16.381 1.00 0.00 SOLV H ATOM 8495 H2 TIP3 2155 53.887 54.814 17.393 1.00 0.00 SOLV H ATOM 8496 OH2 TIP3 2156 68.404 47.466 6.745 1.00 0.00 SOLV O ATOM 8497 H1 TIP3 2156 68.604 48.370 7.042 1.00 0.00 SOLV H ATOM 8498 H2 TIP3 2156 67.636 47.651 6.194 1.00 0.00 SOLV H ATOM 8499 OH2 TIP3 2157 67.057 47.280 10.685 1.00 0.00 SOLV O ATOM 8500 H1 TIP3 2157 67.899 46.827 10.889 1.00 0.00 SOLV H ATOM 8501 H2 TIP3 2157 66.741 46.750 9.940 1.00 0.00 SOLV H ATOM 8502 OH2 TIP3 2158 59.668 46.645 12.161 1.00 0.00 SOLV O ATOM 8503 H1 TIP3 2158 59.678 45.808 12.662 1.00 0.00 SOLV H ATOM 8504 H2 TIP3 2158 60.592 46.923 12.243 1.00 0.00 SOLV H ATOM 8505 OH2 TIP3 2159 60.818 51.257 10.415 1.00 0.00 SOLV O ATOM 8506 H1 TIP3 2159 60.626 50.327 10.159 1.00 0.00 SOLV H ATOM 8507 H2 TIP3 2159 61.779 51.193 10.573 1.00 0.00 SOLV H ATOM 8508 OH2 TIP3 2160 57.611 44.651 5.878 1.00 0.00 SOLV O ATOM 8509 H1 TIP3 2160 56.957 45.356 5.793 1.00 0.00 SOLV H ATOM 8510 H2 TIP3 2160 57.241 43.983 5.248 1.00 0.00 SOLV H ATOM 8511 OH2 TIP3 2161 57.762 46.809 8.340 1.00 0.00 SOLV O ATOM 8512 H1 TIP3 2161 58.037 45.884 8.522 1.00 0.00 SOLV H ATOM 8513 H2 TIP3 2161 58.549 47.161 7.905 1.00 0.00 SOLV H ATOM 8514 OH2 TIP3 2162 67.574 55.029 9.030 1.00 0.00 SOLV O ATOM 8515 H1 TIP3 2162 68.525 54.859 8.872 1.00 0.00 SOLV H ATOM 8516 H2 TIP3 2162 67.475 54.845 9.978 1.00 0.00 SOLV H ATOM 8517 OH2 TIP3 2163 65.584 49.593 11.075 1.00 0.00 SOLV O ATOM 8518 H1 TIP3 2163 65.986 48.712 10.893 1.00 0.00 SOLV H ATOM 8519 H2 TIP3 2163 66.370 50.021 11.464 1.00 0.00 SOLV H ATOM 8520 OH2 TIP3 2164 68.498 42.826 11.497 1.00 0.00 SOLV O ATOM 8521 H1 TIP3 2164 68.857 42.089 10.991 1.00 0.00 SOLV H ATOM 8522 H2 TIP3 2164 68.659 43.576 10.903 1.00 0.00 SOLV H ATOM 8523 OH2 TIP3 2165 62.328 41.916 8.529 1.00 0.00 SOLV O ATOM 8524 H1 TIP3 2165 62.441 42.768 8.061 1.00 0.00 SOLV H ATOM 8525 H2 TIP3 2165 61.884 41.390 7.827 1.00 0.00 SOLV H ATOM 8526 OH2 TIP3 2166 58.755 44.339 9.146 1.00 0.00 SOLV O ATOM 8527 H1 TIP3 2166 59.412 43.921 9.735 1.00 0.00 SOLV H ATOM 8528 H2 TIP3 2166 59.050 43.969 8.286 1.00 0.00 SOLV H ATOM 8529 OH2 TIP3 2167 63.723 45.820 8.774 1.00 0.00 SOLV O ATOM 8530 H1 TIP3 2167 64.495 45.296 9.095 1.00 0.00 SOLV H ATOM 8531 H2 TIP3 2167 63.299 45.166 8.176 1.00 0.00 SOLV H ATOM 8532 OH2 TIP3 2168 61.048 40.966 12.587 1.00 0.00 SOLV O ATOM 8533 H1 TIP3 2168 60.766 41.567 11.871 1.00 0.00 SOLV H ATOM 8534 H2 TIP3 2168 60.317 41.099 13.225 1.00 0.00 SOLV H ATOM 8535 OH2 TIP3 2169 68.052 50.417 6.123 1.00 0.00 SOLV O ATOM 8536 H1 TIP3 2169 67.932 50.584 5.174 1.00 0.00 SOLV H ATOM 8537 H2 TIP3 2169 67.852 51.296 6.502 1.00 0.00 SOLV H ATOM 8538 OH2 TIP3 2170 63.636 48.642 12.657 1.00 0.00 SOLV O ATOM 8539 H1 TIP3 2170 63.117 49.395 13.019 1.00 0.00 SOLV H ATOM 8540 H2 TIP3 2170 64.309 49.115 12.120 1.00 0.00 SOLV H ATOM 8541 OH2 TIP3 2171 60.627 42.728 10.490 1.00 0.00 SOLV O ATOM 8542 H1 TIP3 2171 61.254 43.268 11.022 1.00 0.00 SOLV H ATOM 8543 H2 TIP3 2171 61.245 42.385 9.801 1.00 0.00 SOLV H ATOM 8544 OH2 TIP3 2172 62.115 50.723 13.688 1.00 0.00 SOLV O ATOM 8545 H1 TIP3 2172 62.113 51.692 13.545 1.00 0.00 SOLV H ATOM 8546 H2 TIP3 2172 61.173 50.593 13.931 1.00 0.00 SOLV H ATOM 8547 OH2 TIP3 2173 58.000 50.328 4.493 1.00 0.00 SOLV O ATOM 8548 H1 TIP3 2173 57.904 50.721 3.595 1.00 0.00 SOLV H ATOM 8549 H2 TIP3 2173 58.347 51.090 5.004 1.00 0.00 SOLV H ATOM 8550 OH2 TIP3 2174 64.635 38.070 10.047 1.00 0.00 SOLV O ATOM 8551 H1 TIP3 2174 64.385 37.126 9.980 1.00 0.00 SOLV H ATOM 8552 H2 TIP3 2174 63.810 38.453 10.422 1.00 0.00 SOLV H ATOM 8553 OH2 TIP3 2175 67.259 47.129 4.051 1.00 0.00 SOLV O ATOM 8554 H1 TIP3 2175 66.449 47.670 3.952 1.00 0.00 SOLV H ATOM 8555 H2 TIP3 2175 67.939 47.820 4.019 1.00 0.00 SOLV H ATOM 8556 OH2 TIP3 2176 67.112 45.109 1.245 1.00 0.00 SOLV O ATOM 8557 H1 TIP3 2176 67.502 45.500 2.038 1.00 0.00 SOLV H ATOM 8558 H2 TIP3 2176 67.743 44.425 0.985 1.00 0.00 SOLV H ATOM 8559 OH2 TIP3 2177 62.280 47.816 7.538 1.00 0.00 SOLV O ATOM 8560 H1 TIP3 2177 62.007 47.440 6.673 1.00 0.00 SOLV H ATOM 8561 H2 TIP3 2177 62.829 47.093 7.913 1.00 0.00 SOLV H ATOM 8562 OH2 TIP3 2178 63.614 51.339 10.131 1.00 0.00 SOLV O ATOM 8563 H1 TIP3 2178 63.699 51.253 9.168 1.00 0.00 SOLV H ATOM 8564 H2 TIP3 2178 64.308 50.723 10.451 1.00 0.00 SOLV H ATOM 8565 OH2 TIP3 2179 62.472 46.668 11.128 1.00 0.00 SOLV O ATOM 8566 H1 TIP3 2179 63.016 46.471 10.333 1.00 0.00 SOLV H ATOM 8567 H2 TIP3 2179 63.003 47.360 11.581 1.00 0.00 SOLV H ATOM 8568 OH2 TIP3 2180 68.465 52.511 12.341 1.00 0.00 SOLV O ATOM 8569 H1 TIP3 2180 69.316 52.714 12.762 1.00 0.00 SOLV H ATOM 8570 H2 TIP3 2180 68.284 51.612 12.573 1.00 0.00 SOLV H ATOM 8571 OH2 TIP3 2181 63.624 50.974 15.954 1.00 0.00 SOLV O ATOM 8572 H1 TIP3 2181 62.990 51.637 16.312 1.00 0.00 SOLV H ATOM 8573 H2 TIP3 2181 63.163 50.735 15.122 1.00 0.00 SOLV H ATOM 8574 OH2 TIP3 2182 60.536 46.969 15.322 1.00 0.00 SOLV O ATOM 8575 H1 TIP3 2182 60.601 47.800 15.834 1.00 0.00 SOLV H ATOM 8576 H2 TIP3 2182 59.577 46.965 15.116 1.00 0.00 SOLV H ATOM 8577 OH2 TIP3 2183 67.582 53.163 6.715 1.00 0.00 SOLV O ATOM 8578 H1 TIP3 2183 67.408 53.663 7.535 1.00 0.00 SOLV H ATOM 8579 H2 TIP3 2183 67.308 53.799 6.041 1.00 0.00 SOLV H ATOM 8580 OH2 TIP3 2184 61.748 52.887 16.543 1.00 0.00 SOLV O ATOM 8581 H1 TIP3 2184 61.712 53.212 15.623 1.00 0.00 SOLV H ATOM 8582 H2 TIP3 2184 60.795 52.761 16.760 1.00 0.00 SOLV H ATOM 8583 OH2 TIP3 2185 61.397 46.983 4.986 1.00 0.00 SOLV O ATOM 8584 H1 TIP3 2185 60.861 47.609 4.452 1.00 0.00 SOLV H ATOM 8585 H2 TIP3 2185 60.934 46.151 4.837 1.00 0.00 SOLV H ATOM 8586 OH2 TIP3 2186 57.276 49.367 13.973 1.00 0.00 SOLV O ATOM 8587 H1 TIP3 2186 56.777 49.450 13.133 1.00 0.00 SOLV H ATOM 8588 H2 TIP3 2186 57.484 48.412 14.008 1.00 0.00 SOLV H ATOM 8589 OH2 TIP3 2187 57.206 52.199 10.557 1.00 0.00 SOLV O ATOM 8590 H1 TIP3 2187 58.134 51.961 10.695 1.00 0.00 SOLV H ATOM 8591 H2 TIP3 2187 57.061 52.833 11.278 1.00 0.00 SOLV H ATOM 8592 OH2 TIP3 2188 66.041 52.096 15.357 1.00 0.00 SOLV O ATOM 8593 H1 TIP3 2188 66.031 52.964 15.794 1.00 0.00 SOLV H ATOM 8594 H2 TIP3 2188 65.171 51.730 15.619 1.00 0.00 SOLV H ATOM 8595 OH2 TIP3 2189 67.277 56.126 4.992 1.00 0.00 SOLV O ATOM 8596 H1 TIP3 2189 66.688 56.192 4.232 1.00 0.00 SOLV H ATOM 8597 H2 TIP3 2189 66.871 56.768 5.607 1.00 0.00 SOLV H ATOM 8598 OH2 TIP3 2190 60.362 54.783 7.098 1.00 0.00 SOLV O ATOM 8599 H1 TIP3 2190 60.552 54.461 8.008 1.00 0.00 SOLV H ATOM 8600 H2 TIP3 2190 59.847 54.040 6.733 1.00 0.00 SOLV H ATOM 8601 OH2 TIP3 2191 59.545 50.767 14.651 1.00 0.00 SOLV O ATOM 8602 H1 TIP3 2191 59.753 50.363 15.516 1.00 0.00 SOLV H ATOM 8603 H2 TIP3 2191 58.723 50.293 14.406 1.00 0.00 SOLV H ATOM 8604 OH2 TIP3 2192 62.216 39.014 10.969 1.00 0.00 SOLV O ATOM 8605 H1 TIP3 2192 61.440 38.972 10.373 1.00 0.00 SOLV H ATOM 8606 H2 TIP3 2192 61.932 39.747 11.551 1.00 0.00 SOLV H ATOM 8607 OH2 TIP3 2193 66.872 38.599 14.310 1.00 0.00 SOLV O ATOM 8608 H1 TIP3 2193 66.951 38.158 15.167 1.00 0.00 SOLV H ATOM 8609 H2 TIP3 2193 65.893 38.560 14.194 1.00 0.00 SOLV H ATOM 8610 OH2 TIP3 2194 66.815 41.278 1.967 1.00 0.00 SOLV O ATOM 8611 H1 TIP3 2194 66.164 40.934 2.613 1.00 0.00 SOLV H ATOM 8612 H2 TIP3 2194 66.379 41.082 1.134 1.00 0.00 SOLV H ATOM 8613 OH2 TIP3 2195 62.297 44.154 12.143 1.00 0.00 SOLV O ATOM 8614 H1 TIP3 2195 61.607 44.260 12.830 1.00 0.00 SOLV H ATOM 8615 H2 TIP3 2195 62.383 45.074 11.812 1.00 0.00 SOLV H ATOM 8616 OH2 TIP3 2196 62.290 44.225 7.087 1.00 0.00 SOLV O ATOM 8617 H1 TIP3 2196 61.321 44.061 7.047 1.00 0.00 SOLV H ATOM 8618 H2 TIP3 2196 62.533 43.906 6.191 1.00 0.00 SOLV H ATOM 8619 OH2 TIP3 2197 67.517 44.633 5.540 1.00 0.00 SOLV O ATOM 8620 H1 TIP3 2197 67.284 45.572 5.641 1.00 0.00 SOLV H ATOM 8621 H2 TIP3 2197 67.429 44.535 4.583 1.00 0.00 SOLV H ATOM 8622 OH2 TIP3 2198 67.066 44.655 16.931 1.00 0.00 SOLV O ATOM 8623 H1 TIP3 2198 66.563 43.955 17.396 1.00 0.00 SOLV H ATOM 8624 H2 TIP3 2198 67.969 44.518 17.257 1.00 0.00 SOLV H ATOM 8625 OH2 TIP3 2199 68.164 43.733 8.613 1.00 0.00 SOLV O ATOM 8626 H1 TIP3 2199 68.246 44.411 7.935 1.00 0.00 SOLV H ATOM 8627 H2 TIP3 2199 68.604 42.973 8.179 1.00 0.00 SOLV H ATOM 8628 OH2 TIP3 2200 60.067 44.326 13.739 1.00 0.00 SOLV O ATOM 8629 H1 TIP3 2200 60.254 44.743 14.593 1.00 0.00 SOLV H ATOM 8630 H2 TIP3 2200 59.690 43.463 14.002 1.00 0.00 SOLV H ATOM 8631 OH2 TIP3 2201 62.957 41.417 0.153 1.00 0.00 SOLV O ATOM 8632 H1 TIP3 2201 62.805 41.315 1.113 1.00 0.00 SOLV H ATOM 8633 H2 TIP3 2201 62.833 42.377 0.038 1.00 0.00 SOLV H ATOM 8634 OH2 TIP3 2202 56.534 41.240 7.768 1.00 0.00 SOLV O ATOM 8635 H1 TIP3 2202 57.198 41.440 8.449 1.00 0.00 SOLV H ATOM 8636 H2 TIP3 2202 56.782 41.808 7.020 1.00 0.00 SOLV H ATOM 8637 OH2 TIP3 2203 68.228 45.434 13.494 1.00 0.00 SOLV O ATOM 8638 H1 TIP3 2203 68.500 45.147 12.600 1.00 0.00 SOLV H ATOM 8639 H2 TIP3 2203 67.512 44.795 13.684 1.00 0.00 SOLV H ATOM 8640 OH2 TIP3 2204 65.044 41.701 7.983 1.00 0.00 SOLV O ATOM 8641 H1 TIP3 2204 64.164 41.670 8.406 1.00 0.00 SOLV H ATOM 8642 H2 TIP3 2204 65.602 41.230 8.630 1.00 0.00 SOLV H ATOM 8643 OH2 TIP3 2205 59.766 43.325 6.809 1.00 0.00 SOLV O ATOM 8644 H1 TIP3 2205 59.005 43.721 6.319 1.00 0.00 SOLV H ATOM 8645 H2 TIP3 2205 59.867 42.455 6.382 1.00 0.00 SOLV H ATOM 8646 OH2 TIP3 2206 62.817 43.211 4.628 1.00 0.00 SOLV O ATOM 8647 H1 TIP3 2206 63.782 43.197 4.814 1.00 0.00 SOLV H ATOM 8648 H2 TIP3 2206 62.732 43.880 3.911 1.00 0.00 SOLV H ATOM 8649 OH2 TIP3 2207 62.178 44.798 2.540 1.00 0.00 SOLV O ATOM 8650 H1 TIP3 2207 61.287 44.570 2.212 1.00 0.00 SOLV H ATOM 8651 H2 TIP3 2207 62.671 44.851 1.705 1.00 0.00 SOLV H ATOM 8652 OH2 TIP3 2208 60.349 49.252 17.007 1.00 0.00 SOLV O ATOM 8653 H1 TIP3 2208 61.018 49.287 17.718 1.00 0.00 SOLV H ATOM 8654 H2 TIP3 2208 59.528 49.236 17.536 1.00 0.00 SOLV H ATOM 8655 OH2 TIP3 2209 65.751 44.338 9.770 1.00 0.00 SOLV O ATOM 8656 H1 TIP3 2209 66.599 44.030 9.386 1.00 0.00 SOLV H ATOM 8657 H2 TIP3 2209 65.628 43.699 10.494 1.00 0.00 SOLV H ATOM 8658 OH2 TIP3 2210 61.007 40.664 6.447 1.00 0.00 SOLV O ATOM 8659 H1 TIP3 2210 60.379 39.948 6.693 1.00 0.00 SOLV H ATOM 8660 H2 TIP3 2210 61.525 40.220 5.766 1.00 0.00 SOLV H ATOM 8661 OH2 TIP3 2211 64.761 42.958 12.238 1.00 0.00 SOLV O ATOM 8662 H1 TIP3 2211 63.954 43.511 12.210 1.00 0.00 SOLV H ATOM 8663 H2 TIP3 2211 65.289 43.381 12.951 1.00 0.00 SOLV H ATOM 8664 OH2 TIP3 2212 65.227 49.011 3.983 1.00 0.00 SOLV O ATOM 8665 H1 TIP3 2212 64.474 48.566 3.533 1.00 0.00 SOLV H ATOM 8666 H2 TIP3 2212 64.827 49.192 4.872 1.00 0.00 SOLV H ATOM 8667 OH2 TIP3 2213 66.988 49.496 14.949 1.00 0.00 SOLV O ATOM 8668 H1 TIP3 2213 66.780 49.196 15.838 1.00 0.00 SOLV H ATOM 8669 H2 TIP3 2213 66.787 50.454 15.008 1.00 0.00 SOLV H ATOM 8670 OH2 TIP3 2214 60.718 48.615 9.669 1.00 0.00 SOLV O ATOM 8671 H1 TIP3 2214 61.245 48.404 8.870 1.00 0.00 SOLV H ATOM 8672 H2 TIP3 2214 60.928 47.860 10.239 1.00 0.00 SOLV H ATOM 8673 OH2 TIP3 2215 67.440 50.434 3.279 1.00 0.00 SOLV O ATOM 8674 H1 TIP3 2215 67.125 51.362 3.364 1.00 0.00 SOLV H ATOM 8675 H2 TIP3 2215 66.623 49.950 3.520 1.00 0.00 SOLV H ATOM 8676 OH2 TIP3 2216 57.767 46.779 15.033 1.00 0.00 SOLV O ATOM 8677 H1 TIP3 2216 57.575 46.417 15.918 1.00 0.00 SOLV H ATOM 8678 H2 TIP3 2216 57.057 46.375 14.504 1.00 0.00 SOLV H ATOM 8679 OH2 TIP3 2217 64.811 46.484 17.148 1.00 0.00 SOLV O ATOM 8680 H1 TIP3 2217 64.202 46.150 16.467 1.00 0.00 SOLV H ATOM 8681 H2 TIP3 2217 65.635 46.020 16.902 1.00 0.00 SOLV H ATOM 8682 OH2 TIP3 2218 63.068 52.050 7.126 1.00 0.00 SOLV O ATOM 8683 H1 TIP3 2218 63.224 52.955 6.794 1.00 0.00 SOLV H ATOM 8684 H2 TIP3 2218 62.106 52.000 7.110 1.00 0.00 SOLV H ATOM 8685 OH2 TIP3 2219 58.894 46.739 1.602 1.00 0.00 SOLV O ATOM 8686 H1 TIP3 2219 59.356 47.404 2.151 1.00 0.00 SOLV H ATOM 8687 H2 TIP3 2219 57.978 46.840 1.952 1.00 0.00 SOLV H ATOM 8688 OH2 TIP3 2220 64.014 49.586 6.303 1.00 0.00 SOLV O ATOM 8689 H1 TIP3 2220 63.779 50.474 6.640 1.00 0.00 SOLV H ATOM 8690 H2 TIP3 2220 63.425 49.014 6.834 1.00 0.00 SOLV H ATOM 8691 OH2 TIP3 2221 64.891 53.763 12.943 1.00 0.00 SOLV O ATOM 8692 H1 TIP3 2221 65.519 54.467 12.650 1.00 0.00 SOLV H ATOM 8693 H2 TIP3 2221 65.519 53.115 13.306 1.00 0.00 SOLV H ATOM 8694 OH2 TIP3 2222 62.956 54.795 6.116 1.00 0.00 SOLV O ATOM 8695 H1 TIP3 2222 62.029 54.940 6.395 1.00 0.00 SOLV H ATOM 8696 H2 TIP3 2222 63.382 55.608 6.473 1.00 0.00 SOLV H ATOM 8697 OH2 TIP3 2223 67.977 49.850 12.408 1.00 0.00 SOLV O ATOM 8698 H1 TIP3 2223 67.651 49.388 13.230 1.00 0.00 SOLV H ATOM 8699 H2 TIP3 2223 68.466 49.128 11.927 1.00 0.00 SOLV H ATOM 8700 OH2 TIP3 2224 58.994 41.686 14.337 1.00 0.00 SOLV O ATOM 8701 H1 TIP3 2224 58.044 41.863 14.179 1.00 0.00 SOLV H ATOM 8702 H2 TIP3 2224 58.950 40.963 14.983 1.00 0.00 SOLV H ATOM 8703 OH2 TIP3 2225 58.833 53.337 12.800 1.00 0.00 SOLV O ATOM 8704 H1 TIP3 2225 59.154 52.519 13.219 1.00 0.00 SOLV H ATOM 8705 H2 TIP3 2225 59.044 53.997 13.476 1.00 0.00 SOLV H ATOM 8706 OH2 TIP3 2226 64.622 51.872 0.351 1.00 0.00 SOLV O ATOM 8707 H1 TIP3 2226 64.727 51.027 -0.122 1.00 0.00 SOLV H ATOM 8708 H2 TIP3 2226 64.046 51.625 1.105 1.00 0.00 SOLV H ATOM 8709 OH2 TIP3 2227 63.300 51.538 2.811 1.00 0.00 SOLV O ATOM 8710 H1 TIP3 2227 63.792 51.003 3.448 1.00 0.00 SOLV H ATOM 8711 H2 TIP3 2227 63.476 52.448 3.138 1.00 0.00 SOLV H ATOM 8712 OH2 TIP3 2228 59.888 48.663 3.378 1.00 0.00 SOLV O ATOM 8713 H1 TIP3 2228 59.171 49.101 3.887 1.00 0.00 SOLV H ATOM 8714 H2 TIP3 2228 60.227 49.434 2.880 1.00 0.00 SOLV H ATOM 8715 OH2 TIP3 2229 67.663 41.323 14.397 1.00 0.00 SOLV O ATOM 8716 H1 TIP3 2229 67.806 41.181 15.355 1.00 0.00 SOLV H ATOM 8717 H2 TIP3 2229 67.212 40.509 14.124 1.00 0.00 SOLV H ATOM 8718 OH2 TIP3 2230 68.017 41.504 4.736 1.00 0.00 SOLV O ATOM 8719 H1 TIP3 2230 67.984 41.664 3.779 1.00 0.00 SOLV H ATOM 8720 H2 TIP3 2230 68.734 42.099 5.017 1.00 0.00 SOLV H ATOM 8721 OH2 TIP3 2231 66.399 52.902 3.537 1.00 0.00 SOLV O ATOM 8722 H1 TIP3 2231 65.576 53.292 3.883 1.00 0.00 SOLV H ATOM 8723 H2 TIP3 2231 66.314 53.150 2.593 1.00 0.00 SOLV H ATOM 8724 OH2 TIP3 2232 65.344 42.857 5.561 1.00 0.00 SOLV O ATOM 8725 H1 TIP3 2232 66.154 43.370 5.750 1.00 0.00 SOLV H ATOM 8726 H2 TIP3 2232 65.187 42.459 6.454 1.00 0.00 SOLV H ATOM 8727 OH2 TIP3 2233 66.317 43.679 14.359 1.00 0.00 SOLV O ATOM 8728 H1 TIP3 2233 66.570 43.926 15.268 1.00 0.00 SOLV H ATOM 8729 H2 TIP3 2233 66.832 42.850 14.220 1.00 0.00 SOLV H ATOM 8730 OH2 TIP3 2234 66.419 39.778 6.100 1.00 0.00 SOLV O ATOM 8731 H1 TIP3 2234 66.433 40.095 7.027 1.00 0.00 SOLV H ATOM 8732 H2 TIP3 2234 66.922 40.505 5.663 1.00 0.00 SOLV H ATOM 8733 OH2 TIP3 2235 63.930 54.052 3.691 1.00 0.00 SOLV O ATOM 8734 H1 TIP3 2235 63.884 54.883 3.167 1.00 0.00 SOLV H ATOM 8735 H2 TIP3 2235 63.544 54.344 4.549 1.00 0.00 SOLV H ATOM 8736 OH2 TIP3 2236 62.447 41.116 2.889 1.00 0.00 SOLV O ATOM 8737 H1 TIP3 2236 62.326 41.850 3.533 1.00 0.00 SOLV H ATOM 8738 H2 TIP3 2236 63.307 40.771 3.215 1.00 0.00 SOLV H ATOM 8739 OH2 TIP3 2237 60.656 50.971 1.975 1.00 0.00 SOLV O ATOM 8740 H1 TIP3 2237 61.475 51.305 2.393 1.00 0.00 SOLV H ATOM 8741 H2 TIP3 2237 61.073 50.421 1.275 1.00 0.00 SOLV H ATOM 8742 OH2 TIP3 2238 59.847 44.295 1.071 1.00 0.00 SOLV O ATOM 8743 H1 TIP3 2238 59.426 45.183 1.176 1.00 0.00 SOLV H ATOM 8744 H2 TIP3 2238 59.167 43.696 1.404 1.00 0.00 SOLV H ATOM 8745 OH2 TIP3 2239 59.720 38.848 9.789 1.00 0.00 SOLV O ATOM 8746 H1 TIP3 2239 59.644 38.740 8.816 1.00 0.00 SOLV H ATOM 8747 H2 TIP3 2239 59.350 38.002 10.111 1.00 0.00 SOLV H ATOM 8748 OH2 TIP3 2240 58.640 52.718 5.754 1.00 0.00 SOLV O ATOM 8749 H1 TIP3 2240 57.984 52.916 6.435 1.00 0.00 SOLV H ATOM 8750 H2 TIP3 2240 58.413 53.363 5.038 1.00 0.00 SOLV H ATOM 8751 OH2 TIP3 2241 58.096 55.640 17.588 1.00 0.00 SOLV O ATOM 8752 H1 TIP3 2241 58.789 55.415 18.253 1.00 0.00 SOLV H ATOM 8753 H2 TIP3 2241 57.821 54.753 17.308 1.00 0.00 SOLV H ATOM 8754 OH2 TIP3 2242 62.312 54.018 18.979 1.00 0.00 SOLV O ATOM 8755 H1 TIP3 2242 63.171 53.623 19.197 1.00 0.00 SOLV H ATOM 8756 H2 TIP3 2242 62.156 53.620 18.098 1.00 0.00 SOLV H ATOM 8757 OH2 TIP3 2243 66.390 53.819 0.992 1.00 0.00 SOLV O ATOM 8758 H1 TIP3 2243 65.745 53.141 0.653 1.00 0.00 SOLV H ATOM 8759 H2 TIP3 2243 67.217 53.489 0.593 1.00 0.00 SOLV H ATOM 8760 OH2 TIP3 2244 57.883 49.198 18.337 1.00 0.00 SOLV O ATOM 8761 H1 TIP3 2244 57.888 48.228 18.215 1.00 0.00 SOLV H ATOM 8762 H2 TIP3 2244 57.191 49.476 17.698 1.00 0.00 SOLV H ATOM 8763 OH2 TIP3 2245 62.313 49.297 0.666 1.00 0.00 SOLV O ATOM 8764 H1 TIP3 2245 62.695 48.759 1.394 1.00 0.00 SOLV H ATOM 8765 H2 TIP3 2245 63.048 49.393 0.059 1.00 0.00 SOLV H ATOM 8766 OH2 TIP3 2246 64.425 49.282 17.894 1.00 0.00 SOLV O ATOM 8767 H1 TIP3 2246 64.206 49.799 17.085 1.00 0.00 SOLV H ATOM 8768 H2 TIP3 2246 64.600 48.390 17.536 1.00 0.00 SOLV H ATOM 8769 OH2 TIP3 2247 67.649 50.055 0.311 1.00 0.00 SOLV O ATOM 8770 H1 TIP3 2247 67.673 50.208 1.275 1.00 0.00 SOLV H ATOM 8771 H2 TIP3 2247 68.374 49.440 0.179 1.00 0.00 SOLV H ATOM 8772 OH2 TIP3 2248 58.700 46.497 17.916 1.00 0.00 SOLV O ATOM 8773 H1 TIP3 2248 59.518 46.079 17.620 1.00 0.00 SOLV H ATOM 8774 H2 TIP3 2248 58.827 46.533 18.888 1.00 0.00 SOLV H ATOM 8775 OH2 TIP3 2249 63.295 47.624 2.659 1.00 0.00 SOLV O ATOM 8776 H1 TIP3 2249 62.697 47.142 3.257 1.00 0.00 SOLV H ATOM 8777 H2 TIP3 2249 63.673 46.889 2.128 1.00 0.00 SOLV H ATOM 8778 OH2 TIP3 2250 62.716 45.313 15.217 1.00 0.00 SOLV O ATOM 8779 H1 TIP3 2250 62.023 46.005 15.159 1.00 0.00 SOLV H ATOM 8780 H2 TIP3 2250 63.439 45.711 14.674 1.00 0.00 SOLV H ATOM 8781 OH2 TIP3 2251 64.520 45.831 0.919 1.00 0.00 SOLV O ATOM 8782 H1 TIP3 2251 64.505 45.487 0.021 1.00 0.00 SOLV H ATOM 8783 H2 TIP3 2251 65.470 45.682 1.132 1.00 0.00 SOLV H ATOM 8784 OH2 TIP3 2252 67.777 47.875 18.751 1.00 0.00 SOLV O ATOM 8785 H1 TIP3 2252 68.533 47.355 18.453 1.00 0.00 SOLV H ATOM 8786 H2 TIP3 2252 67.224 47.174 19.139 1.00 0.00 SOLV H ATOM 8787 OH2 TIP3 2253 63.255 42.836 16.097 1.00 0.00 SOLV O ATOM 8788 H1 TIP3 2253 63.317 42.221 15.335 1.00 0.00 SOLV H ATOM 8789 H2 TIP3 2253 63.098 43.699 15.645 1.00 0.00 SOLV H ATOM 8790 OH2 TIP3 2254 63.459 41.128 13.883 1.00 0.00 SOLV O ATOM 8791 H1 TIP3 2254 64.005 41.652 13.258 1.00 0.00 SOLV H ATOM 8792 H2 TIP3 2254 62.596 41.119 13.416 1.00 0.00 SOLV H ATOM 8793 OH2 TIP3 2255 64.723 46.520 13.988 1.00 0.00 SOLV O ATOM 8794 H1 TIP3 2255 65.646 46.460 13.709 1.00 0.00 SOLV H ATOM 8795 H2 TIP3 2255 64.409 47.319 13.514 1.00 0.00 SOLV H ATOM 8796 OH2 TIP3 2256 61.615 43.485 18.312 1.00 0.00 SOLV O ATOM 8797 H1 TIP3 2256 60.818 42.939 18.152 1.00 0.00 SOLV H ATOM 8798 H2 TIP3 2256 62.091 43.388 17.462 1.00 0.00 SOLV H ATOM 8799 OH2 TIP3 2257 64.160 38.447 14.230 1.00 0.00 SOLV O ATOM 8800 H1 TIP3 2257 63.824 39.361 14.098 1.00 0.00 SOLV H ATOM 8801 H2 TIP3 2257 63.456 37.918 13.795 1.00 0.00 SOLV H ATOM 8802 OH2 TIP3 2258 65.478 42.535 17.657 1.00 0.00 SOLV O ATOM 8803 H1 TIP3 2258 64.962 42.236 18.435 1.00 0.00 SOLV H ATOM 8804 H2 TIP3 2258 64.728 42.651 17.027 1.00 0.00 SOLV H ATOM 8805 OH2 TIP3 2259 67.939 41.480 17.094 1.00 0.00 SOLV O ATOM 8806 H1 TIP3 2259 67.041 41.866 17.206 1.00 0.00 SOLV H ATOM 8807 H2 TIP3 2259 67.912 40.778 17.756 1.00 0.00 SOLV H ATOM 8808 OH2 TIP3 2260 59.551 41.630 17.964 1.00 0.00 SOLV O ATOM 8809 H1 TIP3 2260 59.517 40.802 17.444 1.00 0.00 SOLV H ATOM 8810 H2 TIP3 2260 59.676 41.269 18.867 1.00 0.00 SOLV H ATOM 8811 OH2 TIP3 2261 64.407 37.876 16.926 1.00 0.00 SOLV O ATOM 8812 H1 TIP3 2261 65.010 37.110 16.853 1.00 0.00 SOLV H ATOM 8813 H2 TIP3 2261 64.227 38.062 15.981 1.00 0.00 SOLV H ATOM 8814 OH2 TIP3 2262 64.948 39.462 19.078 1.00 0.00 SOLV O ATOM 8815 H1 TIP3 2262 64.761 38.938 18.266 1.00 0.00 SOLV H ATOM 8816 H2 TIP3 2262 64.287 40.183 19.007 1.00 0.00 SOLV H ATOM 8817 OH2 TIP3 2263 64.193 56.411 2.233 1.00 0.00 SOLV O ATOM 8818 H1 TIP3 2263 65.156 56.499 2.127 1.00 0.00 SOLV H ATOM 8819 H2 TIP3 2263 63.855 57.102 1.652 1.00 0.00 SOLV H ATOM 8820 OH2 TIP3 2264 57.850 50.971 1.851 1.00 0.00 SOLV O ATOM 8821 H1 TIP3 2264 58.811 51.136 1.750 1.00 0.00 SOLV H ATOM 8822 H2 TIP3 2264 57.606 50.603 0.990 1.00 0.00 SOLV H ATOM 8823 OH2 TIP3 2265 56.897 56.258 6.780 1.00 0.00 SOLV O ATOM 8824 H1 TIP3 2265 56.326 55.891 6.073 1.00 0.00 SOLV H ATOM 8825 H2 TIP3 2265 57.061 55.456 7.319 1.00 0.00 SOLV H ATOM 8826 OH2 TIP3 2266 57.447 54.093 8.426 1.00 0.00 SOLV O ATOM 8827 H1 TIP3 2266 57.055 53.377 8.963 1.00 0.00 SOLV H ATOM 8828 H2 TIP3 2266 57.933 54.568 9.125 1.00 0.00 SOLV H ATOM 8829 OH2 TIP3 2267 57.342 47.493 11.011 1.00 0.00 SOLV O ATOM 8830 H1 TIP3 2267 57.478 47.310 10.055 1.00 0.00 SOLV H ATOM 8831 H2 TIP3 2267 58.242 47.292 11.364 1.00 0.00 SOLV H ATOM 8832 OH2 TIP3 2268 57.183 42.726 17.117 1.00 0.00 SOLV O ATOM 8833 H1 TIP3 2268 58.089 42.492 17.413 1.00 0.00 SOLV H ATOM 8834 H2 TIP3 2268 56.750 41.852 17.191 1.00 0.00 SOLV H ATOM 8835 OH2 TIP3 2269 58.245 41.222 10.078 1.00 0.00 SOLV O ATOM 8836 H1 TIP3 2269 58.686 40.350 10.030 1.00 0.00 SOLV H ATOM 8837 H2 TIP3 2269 59.010 41.802 10.246 1.00 0.00 SOLV H ATOM 8838 OH2 TIP3 2270 56.496 44.059 10.809 1.00 0.00 SOLV O ATOM 8839 H1 TIP3 2270 57.202 44.064 10.132 1.00 0.00 SOLV H ATOM 8840 H2 TIP3 2270 56.821 44.723 11.427 1.00 0.00 SOLV H ATOM 8841 OH2 TIP3 2271 57.089 39.046 13.313 1.00 0.00 SOLV O ATOM 8842 H1 TIP3 2271 56.338 38.951 13.923 1.00 0.00 SOLV H ATOM 8843 H2 TIP3 2271 56.701 39.649 12.648 1.00 0.00 SOLV H ATOM 8844 OH2 TIP3 2272 59.163 52.616 17.435 1.00 0.00 SOLV O ATOM 8845 H1 TIP3 2272 58.261 52.629 17.061 1.00 0.00 SOLV H ATOM 8846 H2 TIP3 2272 59.009 52.254 18.315 1.00 0.00 SOLV H ATOM 8847 OH2 TIP3 2273 62.276 53.490 13.791 1.00 0.00 SOLV O ATOM 8848 H1 TIP3 2273 62.030 54.389 13.482 1.00 0.00 SOLV H ATOM 8849 H2 TIP3 2273 63.233 53.520 13.568 1.00 0.00 SOLV H ATOM 8850 OH2 TIP3 2274 66.469 54.737 16.726 1.00 0.00 SOLV O ATOM 8851 H1 TIP3 2274 66.554 54.330 17.614 1.00 0.00 SOLV H ATOM 8852 H2 TIP3 2274 67.389 54.741 16.442 1.00 0.00 SOLV H ATOM 8853 OH2 TIP3 2275 59.309 56.439 13.875 1.00 0.00 SOLV O ATOM 8854 H1 TIP3 2275 58.517 56.896 13.515 1.00 0.00 SOLV H ATOM 8855 H2 TIP3 2275 59.407 56.907 14.718 1.00 0.00 SOLV H ATOM 8856 OH2 TIP3 2276 61.906 56.075 13.012 1.00 0.00 SOLV O ATOM 8857 H1 TIP3 2276 60.966 56.260 13.232 1.00 0.00 SOLV H ATOM 8858 H2 TIP3 2276 62.016 56.594 12.189 1.00 0.00 SOLV H ATOM 8859 OH2 TIP3 2277 66.431 55.789 11.961 1.00 0.00 SOLV O ATOM 8860 H1 TIP3 2277 65.959 56.411 11.392 1.00 0.00 SOLV H ATOM 8861 H2 TIP3 2277 66.790 56.353 12.664 1.00 0.00 SOLV H ATOM 8862 OH2 TIP3 2278 58.909 55.109 10.640 1.00 0.00 SOLV O ATOM 8863 H1 TIP3 2278 58.863 54.578 11.464 1.00 0.00 SOLV H ATOM 8864 H2 TIP3 2278 59.709 54.694 10.242 1.00 0.00 SOLV H ATOM 8865 OH2 TIP3 2279 61.018 53.812 9.566 1.00 0.00 SOLV O ATOM 8866 H1 TIP3 2279 60.883 52.881 9.872 1.00 0.00 SOLV H ATOM 8867 H2 TIP3 2279 61.938 53.968 9.878 1.00 0.00 SOLV H ATOM 8868 OH2 TIP3 2280 63.627 54.098 10.513 1.00 0.00 SOLV O ATOM 8869 H1 TIP3 2280 63.750 53.147 10.303 1.00 0.00 SOLV H ATOM 8870 H2 TIP3 2280 64.012 54.100 11.413 1.00 0.00 SOLV H ATOM 8871 OH2 TIP3 2281 66.655 39.659 9.038 1.00 0.00 SOLV O ATOM 8872 H1 TIP3 2281 65.956 39.129 9.473 1.00 0.00 SOLV H ATOM 8873 H2 TIP3 2281 67.394 39.034 9.083 1.00 0.00 SOLV H ATOM 8874 OH2 TIP3 2282 59.459 38.507 7.063 1.00 0.00 SOLV O ATOM 8875 H1 TIP3 2282 58.514 38.362 6.833 1.00 0.00 SOLV H ATOM 8876 H2 TIP3 2282 59.807 37.600 6.921 1.00 0.00 SOLV H ATOM 8877 OH2 TIP3 2283 58.117 38.343 2.921 1.00 0.00 SOLV O ATOM 8878 H1 TIP3 2283 58.869 38.846 2.525 1.00 0.00 SOLV H ATOM 8879 H2 TIP3 2283 57.632 39.073 3.339 1.00 0.00 SOLV H ATOM 8880 OH2 TIP3 2284 64.020 38.226 7.128 1.00 0.00 SOLV O ATOM 8881 H1 TIP3 2284 64.839 38.572 6.743 1.00 0.00 SOLV H ATOM 8882 H2 TIP3 2284 64.167 38.373 8.075 1.00 0.00 SOLV H ATOM 8883 OH2 TIP3 2285 58.153 54.570 3.846 1.00 0.00 SOLV O ATOM 8884 H1 TIP3 2285 57.533 54.468 3.105 1.00 0.00 SOLV H ATOM 8885 H2 TIP3 2285 58.309 55.536 3.802 1.00 0.00 SOLV H ATOM 8886 OH2 TIP3 2286 60.203 39.741 1.908 1.00 0.00 SOLV O ATOM 8887 H1 TIP3 2286 60.482 39.776 0.988 1.00 0.00 SOLV H ATOM 8888 H2 TIP3 2286 60.912 40.245 2.355 1.00 0.00 SOLV H ATOM 8889 OH2 TIP3 2287 64.968 40.658 3.902 1.00 0.00 SOLV O ATOM 8890 H1 TIP3 2287 65.295 40.001 4.547 1.00 0.00 SOLV H ATOM 8891 H2 TIP3 2287 65.116 41.476 4.426 1.00 0.00 SOLV H ATOM 8892 OH2 TIP3 2288 66.973 56.197 2.026 1.00 0.00 SOLV O ATOM 8893 H1 TIP3 2288 67.812 55.919 2.405 1.00 0.00 SOLV H ATOM 8894 H2 TIP3 2288 66.645 55.329 1.685 1.00 0.00 SOLV H ATOM 8895 OH2 TIP3 2289 59.342 39.154 16.660 1.00 0.00 SOLV O ATOM 8896 H1 TIP3 2289 58.758 38.418 16.929 1.00 0.00 SOLV H ATOM 8897 H2 TIP3 2289 60.163 38.911 17.139 1.00 0.00 SOLV H ATOM 8898 OH2 TIP3 2290 61.442 38.425 18.333 1.00 0.00 SOLV O ATOM 8899 H1 TIP3 2290 62.318 38.086 18.082 1.00 0.00 SOLV H ATOM 8900 H2 TIP3 2290 61.044 37.638 18.761 1.00 0.00 SOLV H ATOM 8901 OH2 TIP3 2291 59.854 55.226 0.771 1.00 0.00 SOLV O ATOM 8902 H1 TIP3 2291 59.395 55.638 1.515 1.00 0.00 SOLV H ATOM 8903 H2 TIP3 2291 60.555 54.732 1.212 1.00 0.00 SOLV H ATOM 8904 OH2 TIP3 2292 11.984 66.594 6.913 1.00 0.00 SOLV O ATOM 8905 H1 TIP3 2292 11.583 67.336 7.382 1.00 0.00 SOLV H ATOM 8906 H2 TIP3 2292 11.327 66.398 6.217 1.00 0.00 SOLV H ATOM 8907 OH2 TIP3 2293 10.988 65.797 10.715 1.00 0.00 SOLV O ATOM 8908 H1 TIP3 2293 11.127 65.331 11.569 1.00 0.00 SOLV H ATOM 8909 H2 TIP3 2293 10.535 65.108 10.197 1.00 0.00 SOLV H ATOM 8910 OH2 TIP3 2294 3.234 65.689 12.065 1.00 0.00 SOLV O ATOM 8911 H1 TIP3 2294 2.948 64.779 12.248 1.00 0.00 SOLV H ATOM 8912 H2 TIP3 2294 4.021 65.764 12.625 1.00 0.00 SOLV H ATOM 8913 OH2 TIP3 2295 14.239 68.103 8.828 1.00 0.00 SOLV O ATOM 8914 H1 TIP3 2295 13.990 67.463 9.507 1.00 0.00 SOLV H ATOM 8915 H2 TIP3 2295 14.989 68.569 9.246 1.00 0.00 SOLV H ATOM 8916 OH2 TIP3 2296 1.193 63.562 6.206 1.00 0.00 SOLV O ATOM 8917 H1 TIP3 2296 1.455 64.398 6.623 1.00 0.00 SOLV H ATOM 8918 H2 TIP3 2296 0.247 63.717 6.015 1.00 0.00 SOLV H ATOM 8919 OH2 TIP3 2297 1.743 65.745 8.364 1.00 0.00 SOLV O ATOM 8920 H1 TIP3 2297 1.989 64.917 8.826 1.00 0.00 SOLV H ATOM 8921 H2 TIP3 2297 2.618 66.134 8.239 1.00 0.00 SOLV H ATOM 8922 OH2 TIP3 2298 9.341 68.011 11.294 1.00 0.00 SOLV O ATOM 8923 H1 TIP3 2298 9.823 67.242 10.928 1.00 0.00 SOLV H ATOM 8924 H2 TIP3 2298 10.068 68.370 11.852 1.00 0.00 SOLV H ATOM 8925 OH2 TIP3 2299 18.033 59.869 11.933 1.00 0.00 SOLV O ATOM 8926 H1 TIP3 2299 18.308 60.545 12.585 1.00 0.00 SOLV H ATOM 8927 H2 TIP3 2299 18.525 60.154 11.143 1.00 0.00 SOLV H ATOM 8928 OH2 TIP3 2300 12.446 62.725 11.149 1.00 0.00 SOLV O ATOM 8929 H1 TIP3 2300 12.661 61.779 11.264 1.00 0.00 SOLV H ATOM 8930 H2 TIP3 2300 12.320 62.766 10.180 1.00 0.00 SOLV H ATOM 8931 OH2 TIP3 2301 5.794 60.818 8.508 1.00 0.00 SOLV O ATOM 8932 H1 TIP3 2301 5.833 61.697 8.070 1.00 0.00 SOLV H ATOM 8933 H2 TIP3 2301 5.328 60.297 7.821 1.00 0.00 SOLV H ATOM 8934 OH2 TIP3 2302 13.584 61.064 6.768 1.00 0.00 SOLV O ATOM 8935 H1 TIP3 2302 14.047 60.684 7.552 1.00 0.00 SOLV H ATOM 8936 H2 TIP3 2302 14.345 61.434 6.281 1.00 0.00 SOLV H ATOM 8937 OH2 TIP3 2303 3.018 63.343 8.814 1.00 0.00 SOLV O ATOM 8938 H1 TIP3 2303 3.137 63.150 9.755 1.00 0.00 SOLV H ATOM 8939 H2 TIP3 2303 2.330 62.718 8.566 1.00 0.00 SOLV H ATOM 8940 OH2 TIP3 2304 7.249 64.684 8.777 1.00 0.00 SOLV O ATOM 8941 H1 TIP3 2304 8.100 64.265 9.023 1.00 0.00 SOLV H ATOM 8942 H2 TIP3 2304 6.860 64.012 8.173 1.00 0.00 SOLV H ATOM 8943 OH2 TIP3 2305 18.548 61.458 14.191 1.00 0.00 SOLV O ATOM 8944 H1 TIP3 2305 17.809 62.055 13.951 1.00 0.00 SOLV H ATOM 8945 H2 TIP3 2305 18.632 61.640 15.144 1.00 0.00 SOLV H ATOM 8946 OH2 TIP3 2306 4.541 59.668 12.742 1.00 0.00 SOLV O ATOM 8947 H1 TIP3 2306 4.241 60.235 12.001 1.00 0.00 SOLV H ATOM 8948 H2 TIP3 2306 3.815 59.827 13.381 1.00 0.00 SOLV H ATOM 8949 OH2 TIP3 2307 7.004 67.664 12.539 1.00 0.00 SOLV O ATOM 8950 H1 TIP3 2307 6.372 68.268 12.101 1.00 0.00 SOLV H ATOM 8951 H2 TIP3 2307 7.839 67.877 12.062 1.00 0.00 SOLV H ATOM 8952 OH2 TIP3 2308 14.892 60.447 9.065 1.00 0.00 SOLV O ATOM 8953 H1 TIP3 2308 14.344 60.023 9.741 1.00 0.00 SOLV H ATOM 8954 H2 TIP3 2308 15.437 61.053 9.609 1.00 0.00 SOLV H ATOM 8955 OH2 TIP3 2309 4.120 61.348 10.643 1.00 0.00 SOLV O ATOM 8956 H1 TIP3 2309 4.716 61.933 11.161 1.00 0.00 SOLV H ATOM 8957 H2 TIP3 2309 4.704 61.143 9.880 1.00 0.00 SOLV H ATOM 8958 OH2 TIP3 2310 15.469 58.938 12.730 1.00 0.00 SOLV O ATOM 8959 H1 TIP3 2310 14.777 59.436 12.266 1.00 0.00 SOLV H ATOM 8960 H2 TIP3 2310 16.287 59.279 12.310 1.00 0.00 SOLV H ATOM 8961 OH2 TIP3 2311 8.143 56.877 10.038 1.00 0.00 SOLV O ATOM 8962 H1 TIP3 2311 7.806 55.960 10.005 1.00 0.00 SOLV H ATOM 8963 H2 TIP3 2311 7.356 57.339 10.404 1.00 0.00 SOLV H ATOM 8964 OH2 TIP3 2312 10.668 65.758 4.663 1.00 0.00 SOLV O ATOM 8965 H1 TIP3 2312 10.003 66.423 4.363 1.00 0.00 SOLV H ATOM 8966 H2 TIP3 2312 11.292 65.769 3.916 1.00 0.00 SOLV H ATOM 8967 OH2 TIP3 2313 10.749 64.224 1.101 1.00 0.00 SOLV O ATOM 8968 H1 TIP3 2313 11.347 64.592 1.772 1.00 0.00 SOLV H ATOM 8969 H2 TIP3 2313 11.334 63.614 0.616 1.00 0.00 SOLV H ATOM 8970 OH2 TIP3 2314 17.977 65.371 12.952 1.00 0.00 SOLV O ATOM 8971 H1 TIP3 2314 17.252 66.032 12.994 1.00 0.00 SOLV H ATOM 8972 H2 TIP3 2314 18.512 65.740 12.216 1.00 0.00 SOLV H ATOM 8973 OH2 TIP3 2315 14.177 66.089 5.359 1.00 0.00 SOLV O ATOM 8974 H1 TIP3 2315 13.466 66.292 6.013 1.00 0.00 SOLV H ATOM 8975 H2 TIP3 2315 14.828 65.651 5.945 1.00 0.00 SOLV H ATOM 8976 OH2 TIP3 2316 13.911 64.123 14.781 1.00 0.00 SOLV O ATOM 8977 H1 TIP3 2316 13.880 64.806 15.482 1.00 0.00 SOLV H ATOM 8978 H2 TIP3 2316 13.237 64.466 14.163 1.00 0.00 SOLV H ATOM 8979 OH2 TIP3 2317 5.538 66.517 7.596 1.00 0.00 SOLV O ATOM 8980 H1 TIP3 2317 5.343 66.199 6.686 1.00 0.00 SOLV H ATOM 8981 H2 TIP3 2317 6.139 65.821 7.933 1.00 0.00 SOLV H ATOM 8982 OH2 TIP3 2318 6.094 65.344 11.157 1.00 0.00 SOLV O ATOM 8983 H1 TIP3 2318 6.515 65.200 10.281 1.00 0.00 SOLV H ATOM 8984 H2 TIP3 2318 6.573 66.113 11.506 1.00 0.00 SOLV H ATOM 8985 OH2 TIP3 2319 12.897 65.221 3.068 1.00 0.00 SOLV O ATOM 8986 H1 TIP3 2319 13.365 65.616 3.839 1.00 0.00 SOLV H ATOM 8987 H2 TIP3 2319 13.440 65.601 2.334 1.00 0.00 SOLV H ATOM 8988 OH2 TIP3 2320 3.946 65.738 15.066 1.00 0.00 SOLV O ATOM 8989 H1 TIP3 2320 4.048 66.475 15.710 1.00 0.00 SOLV H ATOM 8990 H2 TIP3 2320 2.983 65.788 14.903 1.00 0.00 SOLV H ATOM 8991 OH2 TIP3 2321 16.712 56.913 2.992 1.00 0.00 SOLV O ATOM 8992 H1 TIP3 2321 15.818 57.195 3.276 1.00 0.00 SOLV H ATOM 8993 H2 TIP3 2321 17.102 57.768 2.704 1.00 0.00 SOLV H ATOM 8994 OH2 TIP3 2322 4.763 65.806 5.019 1.00 0.00 SOLV O ATOM 8995 H1 TIP3 2322 4.214 66.363 4.427 1.00 0.00 SOLV H ATOM 8996 H2 TIP3 2322 4.407 64.923 4.854 1.00 0.00 SOLV H ATOM 8997 OH2 TIP3 2323 1.428 68.234 14.454 1.00 0.00 SOLV O ATOM 8998 H1 TIP3 2323 1.285 68.203 13.499 1.00 0.00 SOLV H ATOM 8999 H2 TIP3 2323 1.298 67.297 14.690 1.00 0.00 SOLV H ATOM 9000 OH2 TIP3 2324 15.787 62.958 16.910 1.00 0.00 SOLV O ATOM 9001 H1 TIP3 2324 15.100 63.278 16.307 1.00 0.00 SOLV H ATOM 9002 H2 TIP3 2324 15.846 62.014 16.655 1.00 0.00 SOLV H ATOM 9003 OH2 TIP3 2325 5.683 57.882 10.943 1.00 0.00 SOLV O ATOM 9004 H1 TIP3 2325 4.885 57.874 10.375 1.00 0.00 SOLV H ATOM 9005 H2 TIP3 2325 5.402 58.549 11.603 1.00 0.00 SOLV H ATOM 9006 OH2 TIP3 2326 10.465 57.557 14.297 1.00 0.00 SOLV O ATOM 9007 H1 TIP3 2326 10.926 57.053 15.000 1.00 0.00 SOLV H ATOM 9008 H2 TIP3 2326 9.523 57.451 14.538 1.00 0.00 SOLV H ATOM 9009 OH2 TIP3 2327 13.443 61.414 15.053 1.00 0.00 SOLV O ATOM 9010 H1 TIP3 2327 12.737 61.344 15.735 1.00 0.00 SOLV H ATOM 9011 H2 TIP3 2327 13.483 62.378 14.889 1.00 0.00 SOLV H ATOM 9012 OH2 TIP3 2328 14.493 66.207 1.136 1.00 0.00 SOLV O ATOM 9013 H1 TIP3 2328 14.156 66.321 0.223 1.00 0.00 SOLV H ATOM 9014 H2 TIP3 2328 15.433 66.440 1.006 1.00 0.00 SOLV H ATOM 9015 OH2 TIP3 2329 10.147 60.109 1.718 1.00 0.00 SOLV O ATOM 9016 H1 TIP3 2329 9.602 59.904 2.506 1.00 0.00 SOLV H ATOM 9017 H2 TIP3 2329 9.526 59.917 1.007 1.00 0.00 SOLV H ATOM 9018 OH2 TIP3 2330 5.782 62.890 12.198 1.00 0.00 SOLV O ATOM 9019 H1 TIP3 2330 5.053 63.026 12.845 1.00 0.00 SOLV H ATOM 9020 H2 TIP3 2330 5.872 63.801 11.831 1.00 0.00 SOLV H ATOM 9021 OH2 TIP3 2331 5.885 63.087 7.046 1.00 0.00 SOLV O ATOM 9022 H1 TIP3 2331 4.930 63.090 6.825 1.00 0.00 SOLV H ATOM 9023 H2 TIP3 2331 6.218 62.729 6.191 1.00 0.00 SOLV H ATOM 9024 OH2 TIP3 2332 11.327 63.375 5.858 1.00 0.00 SOLV O ATOM 9025 H1 TIP3 2332 11.082 64.248 5.478 1.00 0.00 SOLV H ATOM 9026 H2 TIP3 2332 11.965 63.043 5.198 1.00 0.00 SOLV H ATOM 9027 OH2 TIP3 2333 10.372 63.584 16.987 1.00 0.00 SOLV O ATOM 9028 H1 TIP3 2333 9.940 62.798 17.388 1.00 0.00 SOLV H ATOM 9029 H2 TIP3 2333 11.206 63.604 17.493 1.00 0.00 SOLV H ATOM 9030 OH2 TIP3 2334 12.199 62.875 8.430 1.00 0.00 SOLV O ATOM 9031 H1 TIP3 2334 11.780 63.373 7.695 1.00 0.00 SOLV H ATOM 9032 H2 TIP3 2334 12.582 62.149 7.894 1.00 0.00 SOLV H ATOM 9033 OH2 TIP3 2335 3.557 63.116 13.721 1.00 0.00 SOLV O ATOM 9034 H1 TIP3 2335 3.485 63.738 14.461 1.00 0.00 SOLV H ATOM 9035 H2 TIP3 2335 3.144 62.305 14.068 1.00 0.00 SOLV H ATOM 9036 OH2 TIP3 2336 6.335 60.114 0.195 1.00 0.00 SOLV O ATOM 9037 H1 TIP3 2336 6.118 60.043 1.148 1.00 0.00 SOLV H ATOM 9038 H2 TIP3 2336 6.300 61.076 0.058 1.00 0.00 SOLV H ATOM 9039 OH2 TIP3 2337 0.671 60.478 7.378 1.00 0.00 SOLV O ATOM 9040 H1 TIP3 2337 0.966 60.582 8.310 1.00 0.00 SOLV H ATOM 9041 H2 TIP3 2337 0.827 59.534 7.287 1.00 0.00 SOLV H ATOM 9042 OH2 TIP3 2338 1.542 60.878 2.788 1.00 0.00 SOLV O ATOM 9043 H1 TIP3 2338 2.119 61.339 2.135 1.00 0.00 SOLV H ATOM 9044 H2 TIP3 2338 1.568 61.545 3.487 1.00 0.00 SOLV H ATOM 9045 OH2 TIP3 2339 11.504 64.420 13.008 1.00 0.00 SOLV O ATOM 9046 H1 TIP3 2339 11.906 63.780 12.374 1.00 0.00 SOLV H ATOM 9047 H2 TIP3 2339 10.905 63.816 13.500 1.00 0.00 SOLV H ATOM 9048 OH2 TIP3 2340 8.601 60.475 7.916 1.00 0.00 SOLV O ATOM 9049 H1 TIP3 2340 7.686 60.572 8.249 1.00 0.00 SOLV H ATOM 9050 H2 TIP3 2340 9.067 60.130 8.698 1.00 0.00 SOLV H ATOM 9051 OH2 TIP3 2341 3.580 62.231 5.767 1.00 0.00 SOLV O ATOM 9052 H1 TIP3 2341 2.688 62.538 6.021 1.00 0.00 SOLV H ATOM 9053 H2 TIP3 2341 3.621 61.311 6.087 1.00 0.00 SOLV H ATOM 9054 OH2 TIP3 2342 6.616 62.060 4.670 1.00 0.00 SOLV O ATOM 9055 H1 TIP3 2342 7.586 62.162 4.724 1.00 0.00 SOLV H ATOM 9056 H2 TIP3 2342 6.353 62.706 3.976 1.00 0.00 SOLV H ATOM 9057 OH2 TIP3 2343 12.753 59.968 11.163 1.00 0.00 SOLV O ATOM 9058 H1 TIP3 2343 12.279 59.964 12.027 1.00 0.00 SOLV H ATOM 9059 H2 TIP3 2343 12.059 59.602 10.587 1.00 0.00 SOLV H ATOM 9060 OH2 TIP3 2344 5.720 63.566 2.621 1.00 0.00 SOLV O ATOM 9061 H1 TIP3 2344 4.996 63.204 2.094 1.00 0.00 SOLV H ATOM 9062 H2 TIP3 2344 6.409 63.731 1.946 1.00 0.00 SOLV H ATOM 9063 OH2 TIP3 2345 3.969 67.547 17.193 1.00 0.00 SOLV O ATOM 9064 H1 TIP3 2345 4.490 67.508 18.018 1.00 0.00 SOLV H ATOM 9065 H2 TIP3 2345 3.094 67.814 17.530 1.00 0.00 SOLV H ATOM 9066 OH2 TIP3 2346 9.478 63.421 9.861 1.00 0.00 SOLV O ATOM 9067 H1 TIP3 2346 10.214 62.906 9.503 1.00 0.00 SOLV H ATOM 9068 H2 TIP3 2346 9.131 62.830 10.563 1.00 0.00 SOLV H ATOM 9069 OH2 TIP3 2347 4.436 59.490 6.486 1.00 0.00 SOLV O ATOM 9070 H1 TIP3 2347 3.945 58.686 6.755 1.00 0.00 SOLV H ATOM 9071 H2 TIP3 2347 5.022 59.143 5.800 1.00 0.00 SOLV H ATOM 9072 OH2 TIP3 2348 8.381 62.036 12.153 1.00 0.00 SOLV O ATOM 9073 H1 TIP3 2348 7.475 62.406 12.226 1.00 0.00 SOLV H ATOM 9074 H2 TIP3 2348 8.822 62.376 12.957 1.00 0.00 SOLV H ATOM 9075 OH2 TIP3 2349 8.870 67.588 3.838 1.00 0.00 SOLV O ATOM 9076 H1 TIP3 2349 8.065 67.385 3.332 1.00 0.00 SOLV H ATOM 9077 H2 TIP3 2349 8.484 67.797 4.718 1.00 0.00 SOLV H ATOM 9078 OH2 TIP3 2350 15.911 67.229 12.729 1.00 0.00 SOLV O ATOM 9079 H1 TIP3 2350 16.452 67.825 12.172 1.00 0.00 SOLV H ATOM 9080 H2 TIP3 2350 15.173 66.993 12.132 1.00 0.00 SOLV H ATOM 9081 OH2 TIP3 2351 12.869 60.614 1.880 1.00 0.00 SOLV O ATOM 9082 H1 TIP3 2351 11.902 60.450 1.809 1.00 0.00 SOLV H ATOM 9083 H2 TIP3 2351 12.899 61.379 2.485 1.00 0.00 SOLV H ATOM 9084 OH2 TIP3 2352 10.668 68.085 15.409 1.00 0.00 SOLV O ATOM 9085 H1 TIP3 2352 10.838 67.592 16.235 1.00 0.00 SOLV H ATOM 9086 H2 TIP3 2352 9.762 68.399 15.546 1.00 0.00 SOLV H ATOM 9087 OH2 TIP3 2353 13.242 62.585 3.900 1.00 0.00 SOLV O ATOM 9088 H1 TIP3 2353 14.125 62.522 4.311 1.00 0.00 SOLV H ATOM 9089 H2 TIP3 2353 13.227 63.509 3.573 1.00 0.00 SOLV H ATOM 9090 OH2 TIP3 2354 3.955 67.446 9.673 1.00 0.00 SOLV O ATOM 9091 H1 TIP3 2354 4.617 67.147 9.014 1.00 0.00 SOLV H ATOM 9092 H2 TIP3 2354 3.994 66.751 10.353 1.00 0.00 SOLV H ATOM 9093 OH2 TIP3 2355 1.150 65.494 15.019 1.00 0.00 SOLV O ATOM 9094 H1 TIP3 2355 1.050 65.222 15.953 1.00 0.00 SOLV H ATOM 9095 H2 TIP3 2355 0.386 65.072 14.597 1.00 0.00 SOLV H ATOM 9096 OH2 TIP3 2356 8.212 65.335 17.264 1.00 0.00 SOLV O ATOM 9097 H1 TIP3 2356 7.603 64.902 16.638 1.00 0.00 SOLV H ATOM 9098 H2 TIP3 2356 9.058 64.883 17.052 1.00 0.00 SOLV H ATOM 9099 OH2 TIP3 2357 18.107 63.209 3.734 1.00 0.00 SOLV O ATOM 9100 H1 TIP3 2357 17.643 63.012 2.885 1.00 0.00 SOLV H ATOM 9101 H2 TIP3 2357 18.268 64.165 3.565 1.00 0.00 SOLV H ATOM 9102 OH2 TIP3 2358 18.357 68.496 16.317 1.00 0.00 SOLV O ATOM 9103 H1 TIP3 2358 17.659 69.111 16.000 1.00 0.00 SOLV H ATOM 9104 H2 TIP3 2358 18.819 68.358 15.457 1.00 0.00 SOLV H ATOM 9105 OH2 TIP3 2359 13.776 66.339 10.985 1.00 0.00 SOLV O ATOM 9106 H1 TIP3 2359 12.811 66.243 10.840 1.00 0.00 SOLV H ATOM 9107 H2 TIP3 2359 14.104 65.541 10.519 1.00 0.00 SOLV H ATOM 9108 OH2 TIP3 2360 1.982 65.495 1.799 1.00 0.00 SOLV O ATOM 9109 H1 TIP3 2360 2.541 66.051 2.384 1.00 0.00 SOLV H ATOM 9110 H2 TIP3 2360 1.531 66.177 1.280 1.00 0.00 SOLV H ATOM 9111 OH2 TIP3 2361 7.673 67.889 6.263 1.00 0.00 SOLV O ATOM 9112 H1 TIP3 2361 7.588 68.828 6.532 1.00 0.00 SOLV H ATOM 9113 H2 TIP3 2361 6.990 67.475 6.816 1.00 0.00 SOLV H ATOM 9114 OH2 TIP3 2362 11.590 68.240 12.824 1.00 0.00 SOLV O ATOM 9115 H1 TIP3 2362 11.347 67.955 13.729 1.00 0.00 SOLV H ATOM 9116 H2 TIP3 2362 12.370 67.701 12.631 1.00 0.00 SOLV H ATOM 9117 OH2 TIP3 2363 2.417 60.374 14.443 1.00 0.00 SOLV O ATOM 9118 H1 TIP3 2363 1.458 60.373 14.262 1.00 0.00 SOLV H ATOM 9119 H2 TIP3 2363 2.479 59.702 15.142 1.00 0.00 SOLV H ATOM 9120 OH2 TIP3 2364 15.327 68.515 4.264 1.00 0.00 SOLV O ATOM 9121 H1 TIP3 2364 14.523 68.043 4.537 1.00 0.00 SOLV H ATOM 9122 H2 TIP3 2364 15.975 67.796 4.320 1.00 0.00 SOLV H ATOM 9123 OH2 TIP3 2365 3.474 67.347 3.130 1.00 0.00 SOLV O ATOM 9124 H1 TIP3 2365 2.817 68.082 3.035 1.00 0.00 SOLV H ATOM 9125 H2 TIP3 2365 4.257 67.752 2.737 1.00 0.00 SOLV H ATOM 9126 OH2 TIP3 2366 11.476 60.037 13.582 1.00 0.00 SOLV O ATOM 9127 H1 TIP3 2366 12.165 60.237 14.240 1.00 0.00 SOLV H ATOM 9128 H2 TIP3 2366 11.108 59.187 13.905 1.00 0.00 SOLV H ATOM 9129 OH2 TIP3 2367 12.209 59.472 4.906 1.00 0.00 SOLV O ATOM 9130 H1 TIP3 2367 12.368 59.940 4.073 1.00 0.00 SOLV H ATOM 9131 H2 TIP3 2367 12.623 60.084 5.555 1.00 0.00 SOLV H ATOM 9132 OH2 TIP3 2368 9.197 61.694 5.522 1.00 0.00 SOLV O ATOM 9133 H1 TIP3 2368 9.934 62.318 5.698 1.00 0.00 SOLV H ATOM 9134 H2 TIP3 2368 8.985 61.387 6.431 1.00 0.00 SOLV H ATOM 9135 OH2 TIP3 2369 10.006 62.626 14.393 1.00 0.00 SOLV O ATOM 9136 H1 TIP3 2369 10.133 62.923 15.321 1.00 0.00 SOLV H ATOM 9137 H2 TIP3 2369 10.350 61.717 14.419 1.00 0.00 SOLV H ATOM 9138 OH2 TIP3 2370 9.864 58.453 6.063 1.00 0.00 SOLV O ATOM 9139 H1 TIP3 2370 9.709 59.129 6.749 1.00 0.00 SOLV H ATOM 9140 H2 TIP3 2370 10.714 58.773 5.680 1.00 0.00 SOLV H ATOM 9141 OH2 TIP3 2371 6.031 59.995 2.967 1.00 0.00 SOLV O ATOM 9142 H1 TIP3 2371 5.935 60.735 3.600 1.00 0.00 SOLV H ATOM 9143 H2 TIP3 2371 6.903 59.663 3.258 1.00 0.00 SOLV H ATOM 9144 OH2 TIP3 2372 15.919 60.497 15.600 1.00 0.00 SOLV O ATOM 9145 H1 TIP3 2372 14.968 60.665 15.413 1.00 0.00 SOLV H ATOM 9146 H2 TIP3 2372 16.213 60.198 14.729 1.00 0.00 SOLV H ATOM 9147 OH2 TIP3 2373 14.595 64.168 9.414 1.00 0.00 SOLV O ATOM 9148 H1 TIP3 2373 13.758 63.728 9.174 1.00 0.00 SOLV H ATOM 9149 H2 TIP3 2373 15.058 63.467 9.923 1.00 0.00 SOLV H ATOM 9150 OH2 TIP3 2374 2.508 62.894 1.215 1.00 0.00 SOLV O ATOM 9151 H1 TIP3 2374 2.354 63.823 1.512 1.00 0.00 SOLV H ATOM 9152 H2 TIP3 2374 1.887 62.839 0.477 1.00 0.00 SOLV H ATOM 9153 OH2 TIP3 2375 3.125 57.764 9.816 1.00 0.00 SOLV O ATOM 9154 H1 TIP3 2375 3.042 57.561 8.864 1.00 0.00 SOLV H ATOM 9155 H2 TIP3 2375 2.817 56.923 10.223 1.00 0.00 SOLV H ATOM 9156 OH2 TIP3 2376 1.268 67.829 17.973 1.00 0.00 SOLV O ATOM 9157 H1 TIP3 2376 1.307 66.903 17.659 1.00 0.00 SOLV H ATOM 9158 H2 TIP3 2376 0.556 68.199 17.433 1.00 0.00 SOLV H ATOM 9159 OH2 TIP3 2377 5.896 67.604 0.176 1.00 0.00 SOLV O ATOM 9160 H1 TIP3 2377 6.237 67.426 1.073 1.00 0.00 SOLV H ATOM 9161 H2 TIP3 2377 6.023 68.565 0.063 1.00 0.00 SOLV H ATOM 9162 OH2 TIP3 2378 7.590 68.050 17.559 1.00 0.00 SOLV O ATOM 9163 H1 TIP3 2378 7.413 68.220 16.624 1.00 0.00 SOLV H ATOM 9164 H2 TIP3 2378 7.979 67.150 17.526 1.00 0.00 SOLV H ATOM 9165 OH2 TIP3 2379 13.637 67.920 15.289 1.00 0.00 SOLV O ATOM 9166 H1 TIP3 2379 14.339 68.408 14.836 1.00 0.00 SOLV H ATOM 9167 H2 TIP3 2379 12.877 68.517 15.234 1.00 0.00 SOLV H ATOM 9168 OH2 TIP3 2380 1.835 65.178 17.733 1.00 0.00 SOLV O ATOM 9169 H1 TIP3 2380 2.539 64.568 17.485 1.00 0.00 SOLV H ATOM 9170 H2 TIP3 2380 2.019 65.307 18.685 1.00 0.00 SOLV H ATOM 9171 OH2 TIP3 2381 6.619 66.530 2.651 1.00 0.00 SOLV O ATOM 9172 H1 TIP3 2381 6.173 66.120 3.420 1.00 0.00 SOLV H ATOM 9173 H2 TIP3 2381 7.058 65.746 2.256 1.00 0.00 SOLV H ATOM 9174 OH2 TIP3 2382 6.237 64.207 15.331 1.00 0.00 SOLV O ATOM 9175 H1 TIP3 2382 5.467 64.786 15.147 1.00 0.00 SOLV H ATOM 9176 H2 TIP3 2382 6.919 64.604 14.741 1.00 0.00 SOLV H ATOM 9177 OH2 TIP3 2383 7.947 64.481 1.196 1.00 0.00 SOLV O ATOM 9178 H1 TIP3 2383 7.921 64.795 0.283 1.00 0.00 SOLV H ATOM 9179 H2 TIP3 2383 8.907 64.303 1.305 1.00 0.00 SOLV H ATOM 9180 OH2 TIP3 2384 11.131 66.590 18.118 1.00 0.00 SOLV O ATOM 9181 H1 TIP3 2384 12.069 66.534 18.327 1.00 0.00 SOLV H ATOM 9182 H2 TIP3 2384 10.748 66.039 18.822 1.00 0.00 SOLV H ATOM 9183 OH2 TIP3 2385 17.177 66.625 0.512 1.00 0.00 SOLV O ATOM 9184 H1 TIP3 2385 17.443 66.206 -0.318 1.00 0.00 SOLV H ATOM 9185 H2 TIP3 2385 17.450 67.548 0.289 1.00 0.00 SOLV H ATOM 9186 OH2 TIP3 2386 6.702 61.682 16.145 1.00 0.00 SOLV O ATOM 9187 H1 TIP3 2386 6.781 61.079 15.377 1.00 0.00 SOLV H ATOM 9188 H2 TIP3 2386 6.541 62.549 15.706 1.00 0.00 SOLV H ATOM 9189 OH2 TIP3 2387 7.008 60.016 13.880 1.00 0.00 SOLV O ATOM 9190 H1 TIP3 2387 7.516 60.489 13.198 1.00 0.00 SOLV H ATOM 9191 H2 TIP3 2387 6.121 59.946 13.463 1.00 0.00 SOLV H ATOM 9192 OH2 TIP3 2388 8.132 65.431 13.933 1.00 0.00 SOLV O ATOM 9193 H1 TIP3 2388 9.080 65.426 13.754 1.00 0.00 SOLV H ATOM 9194 H2 TIP3 2388 7.812 66.229 13.471 1.00 0.00 SOLV H ATOM 9195 OH2 TIP3 2389 12.629 63.134 18.743 1.00 0.00 SOLV O ATOM 9196 H1 TIP3 2389 12.961 62.225 18.802 1.00 0.00 SOLV H ATOM 9197 H2 TIP3 2389 13.448 63.646 18.680 1.00 0.00 SOLV H ATOM 9198 OH2 TIP3 2390 14.167 65.895 16.981 1.00 0.00 SOLV O ATOM 9199 H1 TIP3 2390 13.883 66.668 16.438 1.00 0.00 SOLV H ATOM 9200 H2 TIP3 2390 15.145 66.004 16.922 1.00 0.00 SOLV H ATOM 9201 OH2 TIP3 2391 5.019 62.349 18.351 1.00 0.00 SOLV O ATOM 9202 H1 TIP3 2391 4.265 61.758 18.145 1.00 0.00 SOLV H ATOM 9203 H2 TIP3 2391 5.525 62.311 17.515 1.00 0.00 SOLV H ATOM 9204 OH2 TIP3 2392 7.643 57.277 14.298 1.00 0.00 SOLV O ATOM 9205 H1 TIP3 2392 7.364 58.202 14.139 1.00 0.00 SOLV H ATOM 9206 H2 TIP3 2392 6.927 56.775 13.854 1.00 0.00 SOLV H ATOM 9207 OH2 TIP3 2393 8.950 61.371 17.737 1.00 0.00 SOLV O ATOM 9208 H1 TIP3 2393 8.478 61.074 18.539 1.00 0.00 SOLV H ATOM 9209 H2 TIP3 2393 8.187 61.433 17.122 1.00 0.00 SOLV H ATOM 9210 OH2 TIP3 2394 11.525 60.769 16.816 1.00 0.00 SOLV O ATOM 9211 H1 TIP3 2394 10.647 60.806 17.247 1.00 0.00 SOLV H ATOM 9212 H2 TIP3 2394 12.055 60.267 17.468 1.00 0.00 SOLV H ATOM 9213 OH2 TIP3 2395 13.260 59.567 18.649 1.00 0.00 SOLV O ATOM 9214 H1 TIP3 2395 13.236 58.590 18.566 1.00 0.00 SOLV H ATOM 9215 H2 TIP3 2395 13.007 59.704 19.585 1.00 0.00 SOLV H ATOM 9216 OH2 TIP3 2396 2.982 60.473 17.970 1.00 0.00 SOLV O ATOM 9217 H1 TIP3 2396 2.905 59.676 17.408 1.00 0.00 SOLV H ATOM 9218 H2 TIP3 2396 3.139 60.058 18.843 1.00 0.00 SOLV H ATOM 9219 OH2 TIP3 2397 7.785 56.680 16.968 1.00 0.00 SOLV O ATOM 9220 H1 TIP3 2397 8.339 55.881 16.868 1.00 0.00 SOLV H ATOM 9221 H2 TIP3 2397 7.660 56.919 16.026 1.00 0.00 SOLV H ATOM 9222 OH2 TIP3 2398 8.337 58.300 19.101 1.00 0.00 SOLV O ATOM 9223 H1 TIP3 2398 8.205 57.774 18.281 1.00 0.00 SOLV H ATOM 9224 H2 TIP3 2398 7.686 59.025 18.983 1.00 0.00 SOLV H ATOM 9225 OH2 TIP3 2399 18.109 67.980 4.517 1.00 0.00 SOLV O ATOM 9226 H1 TIP3 2399 19.039 68.180 4.318 1.00 0.00 SOLV H ATOM 9227 H2 TIP3 2399 18.188 67.312 5.240 1.00 0.00 SOLV H ATOM 9228 OH2 TIP3 2400 18.233 65.904 6.358 1.00 0.00 SOLV O ATOM 9229 H1 TIP3 2400 17.398 65.471 6.647 1.00 0.00 SOLV H ATOM 9230 H2 TIP3 2400 18.774 65.871 7.175 1.00 0.00 SOLV H ATOM 9231 OH2 TIP3 2401 17.903 68.619 11.540 1.00 0.00 SOLV O ATOM 9232 H1 TIP3 2401 18.519 68.106 10.983 1.00 0.00 SOLV H ATOM 9233 H2 TIP3 2401 17.429 69.177 10.879 1.00 0.00 SOLV H ATOM 9234 OH2 TIP3 2402 18.441 65.748 2.776 1.00 0.00 SOLV O ATOM 9235 H1 TIP3 2402 17.968 65.962 1.940 1.00 0.00 SOLV H ATOM 9236 H2 TIP3 2402 18.141 66.477 3.343 1.00 0.00 SOLV H ATOM 9237 OH2 TIP3 2403 16.911 62.914 1.382 1.00 0.00 SOLV O ATOM 9238 H1 TIP3 2403 16.589 63.545 0.731 1.00 0.00 SOLV H ATOM 9239 H2 TIP3 2403 16.441 62.094 1.128 1.00 0.00 SOLV H ATOM 9240 OH2 TIP3 2404 15.888 64.540 6.985 1.00 0.00 SOLV O ATOM 9241 H1 TIP3 2404 15.818 63.620 6.683 1.00 0.00 SOLV H ATOM 9242 H2 TIP3 2404 15.473 64.494 7.875 1.00 0.00 SOLV H ATOM 9243 OH2 TIP3 2405 1.052 67.014 11.094 1.00 0.00 SOLV O ATOM 9244 H1 TIP3 2405 1.080 66.662 10.191 1.00 0.00 SOLV H ATOM 9245 H2 TIP3 2405 1.824 66.550 11.482 1.00 0.00 SOLV H ATOM 9246 OH2 TIP3 2406 16.837 66.319 16.884 1.00 0.00 SOLV O ATOM 9247 H1 TIP3 2406 17.447 65.563 16.743 1.00 0.00 SOLV H ATOM 9248 H2 TIP3 2406 17.358 67.067 16.523 1.00 0.00 SOLV H ATOM 9249 OH2 TIP3 2407 18.294 64.002 16.664 1.00 0.00 SOLV O ATOM 9250 H1 TIP3 2407 17.404 63.613 16.801 1.00 0.00 SOLV H ATOM 9251 H2 TIP3 2407 18.855 63.238 16.917 1.00 0.00 SOLV H ATOM 9252 OH2 TIP3 2408 15.688 60.640 0.565 1.00 0.00 SOLV O ATOM 9253 H1 TIP3 2408 16.243 59.977 1.017 1.00 0.00 SOLV H ATOM 9254 H2 TIP3 2408 14.808 60.478 0.967 1.00 0.00 SOLV H ATOM 9255 OH2 TIP3 2409 15.770 61.993 5.272 1.00 0.00 SOLV O ATOM 9256 H1 TIP3 2409 16.014 61.036 5.291 1.00 0.00 SOLV H ATOM 9257 H2 TIP3 2409 16.569 62.362 4.855 1.00 0.00 SOLV H ATOM 9258 OH2 TIP3 2410 16.087 62.257 10.759 1.00 0.00 SOLV O ATOM 9259 H1 TIP3 2410 17.048 62.401 10.601 1.00 0.00 SOLV H ATOM 9260 H2 TIP3 2410 16.062 62.444 11.718 1.00 0.00 SOLV H ATOM 9261 OH2 TIP3 2411 16.414 63.146 13.422 1.00 0.00 SOLV O ATOM 9262 H1 TIP3 2411 15.609 63.514 13.830 1.00 0.00 SOLV H ATOM 9263 H2 TIP3 2411 16.952 63.956 13.282 1.00 0.00 SOLV H ATOM 9264 OH2 TIP3 2412 0.868 62.228 17.609 1.00 0.00 SOLV O ATOM 9265 H1 TIP3 2412 1.655 61.647 17.666 1.00 0.00 SOLV H ATOM 9266 H2 TIP3 2412 0.208 61.591 17.271 1.00 0.00 SOLV H ATOM 9267 OH2 TIP3 2413 18.621 57.363 18.783 1.00 0.00 SOLV O ATOM 9268 H1 TIP3 2413 19.255 56.720 18.396 1.00 0.00 SOLV H ATOM 9269 H2 TIP3 2413 18.584 58.048 18.080 1.00 0.00 SOLV H ATOM 9270 OH2 TIP3 2414 16.341 59.300 5.336 1.00 0.00 SOLV O ATOM 9271 H1 TIP3 2414 16.535 58.869 6.195 1.00 0.00 SOLV H ATOM 9272 H2 TIP3 2414 15.660 58.687 4.985 1.00 0.00 SOLV H ATOM 9273 OH2 TIP3 2415 1.741 60.237 9.824 1.00 0.00 SOLV O ATOM 9274 H1 TIP3 2415 2.043 59.316 9.960 1.00 0.00 SOLV H ATOM 9275 H2 TIP3 2415 2.509 60.715 10.198 1.00 0.00 SOLV H ATOM 9276 OH2 TIP3 2416 0.765 64.062 10.747 1.00 0.00 SOLV O ATOM 9277 H1 TIP3 2416 0.248 63.747 9.985 1.00 0.00 SOLV H ATOM 9278 H2 TIP3 2416 0.092 64.603 11.206 1.00 0.00 SOLV H ATOM 9279 OH2 TIP3 2417 18.036 59.216 16.888 1.00 0.00 SOLV O ATOM 9280 H1 TIP3 2417 17.247 59.789 16.978 1.00 0.00 SOLV H ATOM 9281 H2 TIP3 2417 17.756 58.675 16.122 1.00 0.00 SOLV H ATOM 9282 OH2 TIP3 2418 17.888 59.215 1.914 1.00 0.00 SOLV O ATOM 9283 H1 TIP3 2418 18.195 59.260 0.977 1.00 0.00 SOLV H ATOM 9284 H2 TIP3 2418 18.570 59.767 2.344 1.00 0.00 SOLV H ATOM 9285 OH2 TIP3 2419 0.997 58.233 4.281 1.00 0.00 SOLV O ATOM 9286 H1 TIP3 2419 0.169 58.218 4.782 1.00 0.00 SOLV H ATOM 9287 H2 TIP3 2419 1.500 58.906 4.766 1.00 0.00 SOLV H ATOM 9288 OH2 TIP3 2420 0.569 57.765 13.169 1.00 0.00 SOLV O ATOM 9289 H1 TIP3 2420 -0.281 57.501 13.565 1.00 0.00 SOLV H ATOM 9290 H2 TIP3 2420 0.431 58.722 13.104 1.00 0.00 SOLV H ATOM 9291 OH2 TIP3 2421 17.124 57.343 15.033 1.00 0.00 SOLV O ATOM 9292 H1 TIP3 2421 16.359 57.449 14.442 1.00 0.00 SOLV H ATOM 9293 H2 TIP3 2421 17.382 56.411 14.842 1.00 0.00 SOLV H ATOM 9294 OH2 TIP3 2422 10.478 58.794 9.442 1.00 0.00 SOLV O ATOM 9295 H1 TIP3 2422 9.869 58.057 9.620 1.00 0.00 SOLV H ATOM 9296 H2 TIP3 2422 11.266 58.336 9.083 1.00 0.00 SOLV H ATOM 9297 OH2 TIP3 2423 15.482 56.910 9.407 1.00 0.00 SOLV O ATOM 9298 H1 TIP3 2423 16.101 57.476 8.894 1.00 0.00 SOLV H ATOM 9299 H2 TIP3 2423 14.623 57.318 9.194 1.00 0.00 SOLV H ATOM 9300 OH2 TIP3 2424 17.212 58.048 7.632 1.00 0.00 SOLV O ATOM 9301 H1 TIP3 2424 17.948 57.458 7.363 1.00 0.00 SOLV H ATOM 9302 H2 TIP3 2424 17.717 58.877 7.803 1.00 0.00 SOLV H ATOM 9303 OH2 TIP3 2425 2.850 57.298 7.023 1.00 0.00 SOLV O ATOM 9304 H1 TIP3 2425 2.132 57.129 6.403 1.00 0.00 SOLV H ATOM 9305 H2 TIP3 2425 3.267 56.404 7.053 1.00 0.00 SOLV H ATOM 9306 OH2 TIP3 2426 7.493 57.102 7.119 1.00 0.00 SOLV O ATOM 9307 H1 TIP3 2426 8.259 57.535 6.710 1.00 0.00 SOLV H ATOM 9308 H2 TIP3 2426 7.679 57.213 8.065 1.00 0.00 SOLV H ATOM 9309 OH2 TIP3 2427 12.832 57.539 8.518 1.00 0.00 SOLV O ATOM 9310 H1 TIP3 2427 13.100 57.253 7.635 1.00 0.00 SOLV H ATOM 9311 H2 TIP3 2427 12.514 56.689 8.906 1.00 0.00 SOLV H ATOM 9312 OH2 TIP3 2428 14.342 57.615 4.385 1.00 0.00 SOLV O ATOM 9313 H1 TIP3 2428 13.516 58.131 4.434 1.00 0.00 SOLV H ATOM 9314 H2 TIP3 2428 13.996 56.714 4.571 1.00 0.00 SOLV H ATOM 9315 OH2 TIP3 2429 8.580 59.579 3.904 1.00 0.00 SOLV O ATOM 9316 H1 TIP3 2429 8.915 58.934 4.555 1.00 0.00 SOLV H ATOM 9317 H2 TIP3 2429 8.751 60.407 4.406 1.00 0.00 SOLV H ATOM 9318 OH2 TIP3 2430 2.768 58.026 16.602 1.00 0.00 SOLV O ATOM 9319 H1 TIP3 2430 2.185 57.272 16.839 1.00 0.00 SOLV H ATOM 9320 H2 TIP3 2430 3.579 57.758 17.083 1.00 0.00 SOLV H ATOM 9321 OH2 TIP3 2431 4.879 57.324 18.322 1.00 0.00 SOLV O ATOM 9322 H1 TIP3 2431 5.760 56.993 18.076 1.00 0.00 SOLV H ATOM 9323 H2 TIP3 2431 4.492 56.534 18.755 1.00 0.00 SOLV H ATOM 9324 OH2 TIP3 2432 13.456 56.780 18.427 1.00 0.00 SOLV O ATOM 9325 H1 TIP3 2432 13.315 56.279 19.261 1.00 0.00 SOLV H ATOM 9326 H2 TIP3 2432 14.410 56.619 18.267 1.00 0.00 SOLV H ATOM 9327 OH2 TIP3 2433 30.802 66.587 7.023 1.00 0.00 SOLV O ATOM 9328 H1 TIP3 2433 30.417 67.405 7.364 1.00 0.00 SOLV H ATOM 9329 H2 TIP3 2433 30.211 66.379 6.271 1.00 0.00 SOLV H ATOM 9330 OH2 TIP3 2434 29.848 65.802 10.705 1.00 0.00 SOLV O ATOM 9331 H1 TIP3 2434 29.967 65.357 11.573 1.00 0.00 SOLV H ATOM 9332 H2 TIP3 2434 29.408 65.102 10.192 1.00 0.00 SOLV H ATOM 9333 OH2 TIP3 2435 21.895 65.440 12.131 1.00 0.00 SOLV O ATOM 9334 H1 TIP3 2435 21.885 64.572 12.576 1.00 0.00 SOLV H ATOM 9335 H2 TIP3 2435 22.681 65.828 12.542 1.00 0.00 SOLV H ATOM 9336 OH2 TIP3 2436 32.933 68.213 9.049 1.00 0.00 SOLV O ATOM 9337 H1 TIP3 2436 32.741 67.325 9.375 1.00 0.00 SOLV H ATOM 9338 H2 TIP3 2436 33.723 68.462 9.565 1.00 0.00 SOLV H ATOM 9339 OH2 TIP3 2437 19.829 63.359 5.812 1.00 0.00 SOLV O ATOM 9340 H1 TIP3 2437 19.480 64.207 6.121 1.00 0.00 SOLV H ATOM 9341 H2 TIP3 2437 19.200 63.165 5.088 1.00 0.00 SOLV H ATOM 9342 OH2 TIP3 2438 20.199 65.663 8.306 1.00 0.00 SOLV O ATOM 9343 H1 TIP3 2438 20.436 64.738 8.543 1.00 0.00 SOLV H ATOM 9344 H2 TIP3 2438 21.072 66.088 8.318 1.00 0.00 SOLV H ATOM 9345 OH2 TIP3 2439 28.214 68.014 11.293 1.00 0.00 SOLV O ATOM 9346 H1 TIP3 2439 28.696 67.248 10.919 1.00 0.00 SOLV H ATOM 9347 H2 TIP3 2439 28.927 68.339 11.889 1.00 0.00 SOLV H ATOM 9348 OH2 TIP3 2440 36.888 59.870 11.963 1.00 0.00 SOLV O ATOM 9349 H1 TIP3 2440 37.149 60.542 12.626 1.00 0.00 SOLV H ATOM 9350 H2 TIP3 2440 37.359 60.187 11.173 1.00 0.00 SOLV H ATOM 9351 OH2 TIP3 2441 31.268 62.722 11.143 1.00 0.00 SOLV O ATOM 9352 H1 TIP3 2441 31.507 61.784 11.270 1.00 0.00 SOLV H ATOM 9353 H2 TIP3 2441 31.148 62.751 10.174 1.00 0.00 SOLV H ATOM 9354 OH2 TIP3 2442 24.682 60.772 8.515 1.00 0.00 SOLV O ATOM 9355 H1 TIP3 2442 24.747 61.640 8.065 1.00 0.00 SOLV H ATOM 9356 H2 TIP3 2442 24.193 60.261 7.835 1.00 0.00 SOLV H ATOM 9357 OH2 TIP3 2443 32.437 61.071 6.772 1.00 0.00 SOLV O ATOM 9358 H1 TIP3 2443 32.910 60.690 7.548 1.00 0.00 SOLV H ATOM 9359 H2 TIP3 2443 33.192 61.436 6.271 1.00 0.00 SOLV H ATOM 9360 OH2 TIP3 2444 21.056 63.217 9.173 1.00 0.00 SOLV O ATOM 9361 H1 TIP3 2444 21.707 62.811 9.777 1.00 0.00 SOLV H ATOM 9362 H2 TIP3 2444 21.362 62.830 8.324 1.00 0.00 SOLV H ATOM 9363 OH2 TIP3 2445 26.057 64.662 8.783 1.00 0.00 SOLV O ATOM 9364 H1 TIP3 2445 26.922 64.266 9.027 1.00 0.00 SOLV H ATOM 9365 H2 TIP3 2445 25.691 63.985 8.174 1.00 0.00 SOLV H ATOM 9366 OH2 TIP3 2446 37.394 61.458 14.208 1.00 0.00 SOLV O ATOM 9367 H1 TIP3 2446 36.649 62.068 14.033 1.00 0.00 SOLV H ATOM 9368 H2 TIP3 2446 37.611 61.678 15.138 1.00 0.00 SOLV H ATOM 9369 OH2 TIP3 2447 23.345 59.813 12.583 1.00 0.00 SOLV O ATOM 9370 H1 TIP3 2447 23.041 60.420 11.882 1.00 0.00 SOLV H ATOM 9371 H2 TIP3 2447 22.631 59.936 13.243 1.00 0.00 SOLV H ATOM 9372 OH2 TIP3 2448 25.871 67.534 12.498 1.00 0.00 SOLV O ATOM 9373 H1 TIP3 2448 25.281 68.231 12.159 1.00 0.00 SOLV H ATOM 9374 H2 TIP3 2448 26.727 67.791 12.083 1.00 0.00 SOLV H ATOM 9375 OH2 TIP3 2449 33.753 60.447 9.069 1.00 0.00 SOLV O ATOM 9376 H1 TIP3 2449 33.216 60.021 9.753 1.00 0.00 SOLV H ATOM 9377 H2 TIP3 2449 34.304 61.054 9.606 1.00 0.00 SOLV H ATOM 9378 OH2 TIP3 2450 22.912 61.575 10.478 1.00 0.00 SOLV O ATOM 9379 H1 TIP3 2450 23.521 62.116 11.030 1.00 0.00 SOLV H ATOM 9380 H2 TIP3 2450 23.548 61.237 9.808 1.00 0.00 SOLV H ATOM 9381 OH2 TIP3 2451 34.320 58.899 12.699 1.00 0.00 SOLV O ATOM 9382 H1 TIP3 2451 33.638 59.436 12.266 1.00 0.00 SOLV H ATOM 9383 H2 TIP3 2451 35.145 59.260 12.313 1.00 0.00 SOLV H ATOM 9384 OH2 TIP3 2452 27.002 56.886 10.034 1.00 0.00 SOLV O ATOM 9385 H1 TIP3 2452 26.660 55.972 9.996 1.00 0.00 SOLV H ATOM 9386 H2 TIP3 2452 26.222 57.350 10.410 1.00 0.00 SOLV H ATOM 9387 OH2 TIP3 2453 29.555 65.812 4.719 1.00 0.00 SOLV O ATOM 9388 H1 TIP3 2453 28.908 66.480 4.391 1.00 0.00 SOLV H ATOM 9389 H2 TIP3 2453 30.184 65.786 3.972 1.00 0.00 SOLV H ATOM 9390 OH2 TIP3 2454 29.621 64.226 1.142 1.00 0.00 SOLV O ATOM 9391 H1 TIP3 2454 30.234 64.623 1.787 1.00 0.00 SOLV H ATOM 9392 H2 TIP3 2454 30.212 63.641 0.635 1.00 0.00 SOLV H ATOM 9393 OH2 TIP3 2455 36.831 65.351 12.938 1.00 0.00 SOLV O ATOM 9394 H1 TIP3 2455 36.117 66.020 13.014 1.00 0.00 SOLV H ATOM 9395 H2 TIP3 2455 37.373 65.747 12.223 1.00 0.00 SOLV H ATOM 9396 OH2 TIP3 2456 32.917 65.589 5.551 1.00 0.00 SOLV O ATOM 9397 H1 TIP3 2456 32.252 65.946 6.182 1.00 0.00 SOLV H ATOM 9398 H2 TIP3 2456 33.625 65.296 6.160 1.00 0.00 SOLV H ATOM 9399 OH2 TIP3 2457 32.769 64.106 14.787 1.00 0.00 SOLV O ATOM 9400 H1 TIP3 2457 32.748 64.764 15.515 1.00 0.00 SOLV H ATOM 9401 H2 TIP3 2457 32.111 64.490 14.178 1.00 0.00 SOLV H ATOM 9402 OH2 TIP3 2458 24.384 66.547 7.595 1.00 0.00 SOLV O ATOM 9403 H1 TIP3 2458 24.154 66.206 6.702 1.00 0.00 SOLV H ATOM 9404 H2 TIP3 2458 24.986 65.851 7.936 1.00 0.00 SOLV H ATOM 9405 OH2 TIP3 2459 24.736 65.460 11.034 1.00 0.00 SOLV O ATOM 9406 H1 TIP3 2459 25.257 65.251 10.226 1.00 0.00 SOLV H ATOM 9407 H2 TIP3 2459 25.298 66.119 11.484 1.00 0.00 SOLV H ATOM 9408 OH2 TIP3 2460 31.679 65.265 3.055 1.00 0.00 SOLV O ATOM 9409 H1 TIP3 2460 32.162 65.605 3.839 1.00 0.00 SOLV H ATOM 9410 H2 TIP3 2460 32.249 65.638 2.335 1.00 0.00 SOLV H ATOM 9411 OH2 TIP3 2461 22.861 65.770 15.011 1.00 0.00 SOLV O ATOM 9412 H1 TIP3 2461 22.985 66.500 15.660 1.00 0.00 SOLV H ATOM 9413 H2 TIP3 2461 21.879 65.725 14.997 1.00 0.00 SOLV H ATOM 9414 OH2 TIP3 2462 35.585 56.910 3.011 1.00 0.00 SOLV O ATOM 9415 H1 TIP3 2462 34.691 57.204 3.277 1.00 0.00 SOLV H ATOM 9416 H2 TIP3 2462 35.980 57.753 2.695 1.00 0.00 SOLV H ATOM 9417 OH2 TIP3 2463 23.466 65.878 5.041 1.00 0.00 SOLV O ATOM 9418 H1 TIP3 2463 23.017 66.500 4.432 1.00 0.00 SOLV H ATOM 9419 H2 TIP3 2463 23.186 65.024 4.689 1.00 0.00 SOLV H ATOM 9420 OH2 TIP3 2464 19.412 68.073 13.882 1.00 0.00 SOLV O ATOM 9421 H1 TIP3 2464 19.038 68.076 12.980 1.00 0.00 SOLV H ATOM 9422 H2 TIP3 2464 19.814 67.188 13.949 1.00 0.00 SOLV H ATOM 9423 OH2 TIP3 2465 34.689 62.939 16.911 1.00 0.00 SOLV O ATOM 9424 H1 TIP3 2465 33.985 63.250 16.325 1.00 0.00 SOLV H ATOM 9425 H2 TIP3 2465 34.725 61.986 16.687 1.00 0.00 SOLV H ATOM 9426 OH2 TIP3 2466 24.539 57.880 10.969 1.00 0.00 SOLV O ATOM 9427 H1 TIP3 2466 23.761 57.838 10.375 1.00 0.00 SOLV H ATOM 9428 H2 TIP3 2466 24.245 58.600 11.565 1.00 0.00 SOLV H ATOM 9429 OH2 TIP3 2467 29.330 57.547 14.299 1.00 0.00 SOLV O ATOM 9430 H1 TIP3 2467 29.801 57.053 15.004 1.00 0.00 SOLV H ATOM 9431 H2 TIP3 2467 28.393 57.449 14.556 1.00 0.00 SOLV H ATOM 9432 OH2 TIP3 2468 32.271 61.405 14.996 1.00 0.00 SOLV O ATOM 9433 H1 TIP3 2468 31.589 61.340 15.705 1.00 0.00 SOLV H ATOM 9434 H2 TIP3 2468 32.345 62.373 14.867 1.00 0.00 SOLV H ATOM 9435 OH2 TIP3 2469 33.310 66.066 1.077 1.00 0.00 SOLV O ATOM 9436 H1 TIP3 2469 33.006 66.243 0.164 1.00 0.00 SOLV H ATOM 9437 H2 TIP3 2469 34.241 66.359 1.012 1.00 0.00 SOLV H ATOM 9438 OH2 TIP3 2470 28.956 60.105 1.699 1.00 0.00 SOLV O ATOM 9439 H1 TIP3 2470 28.418 59.908 2.492 1.00 0.00 SOLV H ATOM 9440 H2 TIP3 2470 28.325 59.944 0.991 1.00 0.00 SOLV H ATOM 9441 OH2 TIP3 2471 24.594 62.986 12.140 1.00 0.00 SOLV O ATOM 9442 H1 TIP3 2471 23.907 63.088 12.831 1.00 0.00 SOLV H ATOM 9443 H2 TIP3 2471 24.636 63.901 11.780 1.00 0.00 SOLV H ATOM 9444 OH2 TIP3 2472 24.630 63.069 7.081 1.00 0.00 SOLV O ATOM 9445 H1 TIP3 2472 23.660 62.956 6.980 1.00 0.00 SOLV H ATOM 9446 H2 TIP3 2472 24.928 62.746 6.201 1.00 0.00 SOLV H ATOM 9447 OH2 TIP3 2473 30.153 63.367 5.841 1.00 0.00 SOLV O ATOM 9448 H1 TIP3 2473 29.941 64.256 5.479 1.00 0.00 SOLV H ATOM 9449 H2 TIP3 2473 30.838 63.062 5.212 1.00 0.00 SOLV H ATOM 9450 OH2 TIP3 2474 29.240 63.586 16.988 1.00 0.00 SOLV O ATOM 9451 H1 TIP3 2474 28.818 62.798 17.394 1.00 0.00 SOLV H ATOM 9452 H2 TIP3 2474 30.077 63.620 17.491 1.00 0.00 SOLV H ATOM 9453 OH2 TIP3 2475 31.031 62.867 8.419 1.00 0.00 SOLV O ATOM 9454 H1 TIP3 2475 30.621 63.364 7.677 1.00 0.00 SOLV H ATOM 9455 H2 TIP3 2475 31.433 62.149 7.885 1.00 0.00 SOLV H ATOM 9456 OH2 TIP3 2476 22.338 63.119 13.698 1.00 0.00 SOLV O ATOM 9457 H1 TIP3 2476 22.477 63.617 14.520 1.00 0.00 SOLV H ATOM 9458 H2 TIP3 2476 21.981 62.269 14.023 1.00 0.00 SOLV H ATOM 9459 OH2 TIP3 2477 25.137 60.184 0.165 1.00 0.00 SOLV O ATOM 9460 H1 TIP3 2477 25.020 60.172 1.132 1.00 0.00 SOLV H ATOM 9461 H2 TIP3 2477 25.104 61.140 -0.025 1.00 0.00 SOLV H ATOM 9462 OH2 TIP3 2478 18.965 60.082 7.712 1.00 0.00 SOLV O ATOM 9463 H1 TIP3 2478 19.526 60.204 8.506 1.00 0.00 SOLV H ATOM 9464 H2 TIP3 2478 19.610 59.947 7.006 1.00 0.00 SOLV H ATOM 9465 OH2 TIP3 2479 19.803 61.058 2.955 1.00 0.00 SOLV O ATOM 9466 H1 TIP3 2479 20.598 61.374 2.490 1.00 0.00 SOLV H ATOM 9467 H2 TIP3 2479 19.367 61.898 3.188 1.00 0.00 SOLV H ATOM 9468 OH2 TIP3 2480 30.299 64.416 12.998 1.00 0.00 SOLV O ATOM 9469 H1 TIP3 2480 30.721 63.782 12.371 1.00 0.00 SOLV H ATOM 9470 H2 TIP3 2480 29.725 63.799 13.500 1.00 0.00 SOLV H ATOM 9471 OH2 TIP3 2481 27.494 60.492 7.929 1.00 0.00 SOLV O ATOM 9472 H1 TIP3 2481 26.592 60.543 8.301 1.00 0.00 SOLV H ATOM 9473 H2 TIP3 2481 28.001 60.103 8.667 1.00 0.00 SOLV H ATOM 9474 OH2 TIP3 2482 22.059 62.216 6.815 1.00 0.00 SOLV O ATOM 9475 H1 TIP3 2482 21.255 62.520 6.329 1.00 0.00 SOLV H ATOM 9476 H2 TIP3 2482 22.216 61.324 6.449 1.00 0.00 SOLV H ATOM 9477 OH2 TIP3 2483 25.376 62.067 4.683 1.00 0.00 SOLV O ATOM 9478 H1 TIP3 2483 26.350 62.115 4.793 1.00 0.00 SOLV H ATOM 9479 H2 TIP3 2483 25.199 62.713 3.963 1.00 0.00 SOLV H ATOM 9480 OH2 TIP3 2484 31.617 59.973 11.170 1.00 0.00 SOLV O ATOM 9481 H1 TIP3 2484 31.134 59.970 12.030 1.00 0.00 SOLV H ATOM 9482 H2 TIP3 2484 30.931 59.605 10.588 1.00 0.00 SOLV H ATOM 9483 OH2 TIP3 2485 24.499 63.581 2.630 1.00 0.00 SOLV O ATOM 9484 H1 TIP3 2485 23.728 63.290 2.122 1.00 0.00 SOLV H ATOM 9485 H2 TIP3 2485 25.166 63.732 1.931 1.00 0.00 SOLV H ATOM 9486 OH2 TIP3 2486 22.929 67.552 17.095 1.00 0.00 SOLV O ATOM 9487 H1 TIP3 2486 23.450 67.517 17.921 1.00 0.00 SOLV H ATOM 9488 H2 TIP3 2486 22.043 67.752 17.453 1.00 0.00 SOLV H ATOM 9489 OH2 TIP3 2487 28.333 63.425 9.830 1.00 0.00 SOLV O ATOM 9490 H1 TIP3 2487 29.088 62.952 9.450 1.00 0.00 SOLV H ATOM 9491 H2 TIP3 2487 28.030 62.812 10.529 1.00 0.00 SOLV H ATOM 9492 OH2 TIP3 2488 23.225 59.598 6.436 1.00 0.00 SOLV O ATOM 9493 H1 TIP3 2488 22.635 58.842 6.660 1.00 0.00 SOLV H ATOM 9494 H2 TIP3 2488 23.784 59.196 5.759 1.00 0.00 SOLV H ATOM 9495 OH2 TIP3 2489 27.187 62.004 12.212 1.00 0.00 SOLV O ATOM 9496 H1 TIP3 2489 26.318 62.451 12.267 1.00 0.00 SOLV H ATOM 9497 H2 TIP3 2489 27.668 62.358 12.988 1.00 0.00 SOLV H ATOM 9498 OH2 TIP3 2490 27.742 67.612 3.849 1.00 0.00 SOLV O ATOM 9499 H1 TIP3 2490 26.957 67.388 3.320 1.00 0.00 SOLV H ATOM 9500 H2 TIP3 2490 27.329 67.800 4.721 1.00 0.00 SOLV H ATOM 9501 OH2 TIP3 2491 34.762 67.228 12.766 1.00 0.00 SOLV O ATOM 9502 H1 TIP3 2491 35.313 67.804 12.199 1.00 0.00 SOLV H ATOM 9503 H2 TIP3 2491 34.033 66.964 12.167 1.00 0.00 SOLV H ATOM 9504 OH2 TIP3 2492 31.667 60.547 2.100 1.00 0.00 SOLV O ATOM 9505 H1 TIP3 2492 30.705 60.467 1.920 1.00 0.00 SOLV H ATOM 9506 H2 TIP3 2492 31.724 61.387 2.595 1.00 0.00 SOLV H ATOM 9507 OH2 TIP3 2493 29.468 67.842 15.525 1.00 0.00 SOLV O ATOM 9508 H1 TIP3 2493 29.773 67.377 16.332 1.00 0.00 SOLV H ATOM 9509 H2 TIP3 2493 28.641 68.227 15.840 1.00 0.00 SOLV H ATOM 9510 OH2 TIP3 2494 32.110 62.650 3.934 1.00 0.00 SOLV O ATOM 9511 H1 TIP3 2494 32.997 62.595 4.336 1.00 0.00 SOLV H ATOM 9512 H2 TIP3 2494 32.090 63.574 3.606 1.00 0.00 SOLV H ATOM 9513 OH2 TIP3 2495 22.605 67.226 9.552 1.00 0.00 SOLV O ATOM 9514 H1 TIP3 2495 23.315 67.071 8.889 1.00 0.00 SOLV H ATOM 9515 H2 TIP3 2495 22.902 66.648 10.275 1.00 0.00 SOLV H ATOM 9516 OH2 TIP3 2496 20.127 65.461 15.015 1.00 0.00 SOLV O ATOM 9517 H1 TIP3 2496 19.912 65.113 15.902 1.00 0.00 SOLV H ATOM 9518 H2 TIP3 2496 19.378 65.113 14.502 1.00 0.00 SOLV H ATOM 9519 OH2 TIP3 2497 27.101 65.343 17.251 1.00 0.00 SOLV O ATOM 9520 H1 TIP3 2497 26.531 64.899 16.603 1.00 0.00 SOLV H ATOM 9521 H2 TIP3 2497 27.963 64.902 17.077 1.00 0.00 SOLV H ATOM 9522 OH2 TIP3 2498 36.979 63.161 3.740 1.00 0.00 SOLV O ATOM 9523 H1 TIP3 2498 36.510 62.968 2.892 1.00 0.00 SOLV H ATOM 9524 H2 TIP3 2498 37.146 64.115 3.554 1.00 0.00 SOLV H ATOM 9525 OH2 TIP3 2499 37.176 68.432 16.320 1.00 0.00 SOLV O ATOM 9526 H1 TIP3 2499 36.541 69.111 16.007 1.00 0.00 SOLV H ATOM 9527 H2 TIP3 2499 37.657 68.289 15.472 1.00 0.00 SOLV H ATOM 9528 OH2 TIP3 2500 32.632 66.269 11.090 1.00 0.00 SOLV O ATOM 9529 H1 TIP3 2500 31.669 66.242 10.911 1.00 0.00 SOLV H ATOM 9530 H2 TIP3 2500 32.928 65.472 10.603 1.00 0.00 SOLV H ATOM 9531 OH2 TIP3 2501 21.054 65.427 1.857 1.00 0.00 SOLV O ATOM 9532 H1 TIP3 2501 21.510 66.202 2.244 1.00 0.00 SOLV H ATOM 9533 H2 TIP3 2501 20.132 65.582 2.146 1.00 0.00 SOLV H ATOM 9534 OH2 TIP3 2502 26.487 67.903 6.246 1.00 0.00 SOLV O ATOM 9535 H1 TIP3 2502 26.407 68.835 6.537 1.00 0.00 SOLV H ATOM 9536 H2 TIP3 2502 25.834 67.474 6.821 1.00 0.00 SOLV H ATOM 9537 OH2 TIP3 2503 30.398 68.133 12.923 1.00 0.00 SOLV O ATOM 9538 H1 TIP3 2503 30.231 67.746 13.806 1.00 0.00 SOLV H ATOM 9539 H2 TIP3 2503 31.254 67.754 12.682 1.00 0.00 SOLV H ATOM 9540 OH2 TIP3 2504 21.297 60.507 14.356 1.00 0.00 SOLV O ATOM 9541 H1 TIP3 2504 20.345 60.685 14.232 1.00 0.00 SOLV H ATOM 9542 H2 TIP3 2504 21.282 59.825 15.046 1.00 0.00 SOLV H ATOM 9543 OH2 TIP3 2505 33.610 67.806 4.093 1.00 0.00 SOLV O ATOM 9544 H1 TIP3 2505 33.565 66.996 4.635 1.00 0.00 SOLV H ATOM 9545 H2 TIP3 2505 34.545 67.799 3.806 1.00 0.00 SOLV H ATOM 9546 OH2 TIP3 2506 22.269 67.542 3.139 1.00 0.00 SOLV O ATOM 9547 H1 TIP3 2506 21.661 68.313 3.198 1.00 0.00 SOLV H ATOM 9548 H2 TIP3 2506 23.007 67.922 2.643 1.00 0.00 SOLV H ATOM 9549 OH2 TIP3 2507 30.310 60.043 13.568 1.00 0.00 SOLV O ATOM 9550 H1 TIP3 2507 31.016 60.275 14.202 1.00 0.00 SOLV H ATOM 9551 H2 TIP3 2507 29.972 59.192 13.920 1.00 0.00 SOLV H ATOM 9552 OH2 TIP3 2508 31.035 59.489 4.879 1.00 0.00 SOLV O ATOM 9553 H1 TIP3 2508 31.252 59.896 4.022 1.00 0.00 SOLV H ATOM 9554 H2 TIP3 2508 31.461 60.113 5.507 1.00 0.00 SOLV H ATOM 9555 OH2 TIP3 2509 27.983 61.716 5.515 1.00 0.00 SOLV O ATOM 9556 H1 TIP3 2509 28.749 62.319 5.650 1.00 0.00 SOLV H ATOM 9557 H2 TIP3 2509 27.839 61.391 6.431 1.00 0.00 SOLV H ATOM 9558 OH2 TIP3 2510 28.858 62.598 14.404 1.00 0.00 SOLV O ATOM 9559 H1 TIP3 2510 28.998 62.903 15.327 1.00 0.00 SOLV H ATOM 9560 H2 TIP3 2510 29.229 61.699 14.426 1.00 0.00 SOLV H ATOM 9561 OH2 TIP3 2511 28.716 58.448 6.026 1.00 0.00 SOLV O ATOM 9562 H1 TIP3 2511 28.602 59.094 6.746 1.00 0.00 SOLV H ATOM 9563 H2 TIP3 2511 29.561 58.772 5.630 1.00 0.00 SOLV H ATOM 9564 OH2 TIP3 2512 24.780 59.980 2.969 1.00 0.00 SOLV O ATOM 9565 H1 TIP3 2512 24.726 60.745 3.583 1.00 0.00 SOLV H ATOM 9566 H2 TIP3 2512 25.660 59.644 3.245 1.00 0.00 SOLV H ATOM 9567 OH2 TIP3 2513 34.742 60.485 15.614 1.00 0.00 SOLV O ATOM 9568 H1 TIP3 2513 33.804 60.634 15.366 1.00 0.00 SOLV H ATOM 9569 H2 TIP3 2513 35.135 60.300 14.753 1.00 0.00 SOLV H ATOM 9570 OH2 TIP3 2514 33.401 64.150 9.477 1.00 0.00 SOLV O ATOM 9571 H1 TIP3 2514 32.574 63.703 9.220 1.00 0.00 SOLV H ATOM 9572 H2 TIP3 2514 33.870 63.452 9.985 1.00 0.00 SOLV H ATOM 9573 OH2 TIP3 2515 21.558 62.863 1.242 1.00 0.00 SOLV O ATOM 9574 H1 TIP3 2515 21.400 63.800 1.509 1.00 0.00 SOLV H ATOM 9575 H2 TIP3 2515 20.893 62.756 0.551 1.00 0.00 SOLV H ATOM 9576 OH2 TIP3 2516 22.026 57.695 9.784 1.00 0.00 SOLV O ATOM 9577 H1 TIP3 2516 21.935 57.576 8.815 1.00 0.00 SOLV H ATOM 9578 H2 TIP3 2516 21.656 56.855 10.125 1.00 0.00 SOLV H ATOM 9579 OH2 TIP3 2517 20.336 67.794 18.049 1.00 0.00 SOLV O ATOM 9580 H1 TIP3 2517 20.369 66.818 18.068 1.00 0.00 SOLV H ATOM 9581 H2 TIP3 2517 19.574 67.959 17.452 1.00 0.00 SOLV H ATOM 9582 OH2 TIP3 2518 24.714 67.622 0.200 1.00 0.00 SOLV O ATOM 9583 H1 TIP3 2518 25.083 67.447 1.085 1.00 0.00 SOLV H ATOM 9584 H2 TIP3 2518 24.858 68.579 0.072 1.00 0.00 SOLV H ATOM 9585 OH2 TIP3 2519 26.473 68.059 17.537 1.00 0.00 SOLV O ATOM 9586 H1 TIP3 2519 26.250 68.200 16.607 1.00 0.00 SOLV H ATOM 9587 H2 TIP3 2519 26.864 67.159 17.516 1.00 0.00 SOLV H ATOM 9588 OH2 TIP3 2520 32.505 67.933 15.278 1.00 0.00 SOLV O ATOM 9589 H1 TIP3 2520 33.254 68.338 14.822 1.00 0.00 SOLV H ATOM 9590 H2 TIP3 2520 31.833 68.627 15.261 1.00 0.00 SOLV H ATOM 9591 OH2 TIP3 2521 21.099 65.057 17.953 1.00 0.00 SOLV O ATOM 9592 H1 TIP3 2521 21.952 64.664 17.733 1.00 0.00 SOLV H ATOM 9593 H2 TIP3 2521 21.186 65.191 18.921 1.00 0.00 SOLV H ATOM 9594 OH2 TIP3 2522 25.531 66.513 2.624 1.00 0.00 SOLV O ATOM 9595 H1 TIP3 2522 25.103 66.044 3.363 1.00 0.00 SOLV H ATOM 9596 H2 TIP3 2522 25.986 65.769 2.171 1.00 0.00 SOLV H ATOM 9597 OH2 TIP3 2523 25.022 64.123 15.195 1.00 0.00 SOLV O ATOM 9598 H1 TIP3 2523 24.313 64.791 15.067 1.00 0.00 SOLV H ATOM 9599 H2 TIP3 2523 25.753 64.519 14.665 1.00 0.00 SOLV H ATOM 9600 OH2 TIP3 2524 26.818 64.462 1.206 1.00 0.00 SOLV O ATOM 9601 H1 TIP3 2524 26.801 64.671 0.263 1.00 0.00 SOLV H ATOM 9602 H2 TIP3 2524 27.782 64.319 1.343 1.00 0.00 SOLV H ATOM 9603 OH2 TIP3 2525 29.993 66.580 18.080 1.00 0.00 SOLV O ATOM 9604 H1 TIP3 2525 30.925 66.579 18.329 1.00 0.00 SOLV H ATOM 9605 H2 TIP3 2525 29.610 66.044 18.796 1.00 0.00 SOLV H ATOM 9606 OH2 TIP3 2526 35.966 66.595 0.499 1.00 0.00 SOLV O ATOM 9607 H1 TIP3 2526 36.363 66.402 -0.363 1.00 0.00 SOLV H ATOM 9608 H2 TIP3 2526 36.172 67.556 0.530 1.00 0.00 SOLV H ATOM 9609 OH2 TIP3 2527 25.534 61.658 16.137 1.00 0.00 SOLV O ATOM 9610 H1 TIP3 2527 25.614 61.048 15.376 1.00 0.00 SOLV H ATOM 9611 H2 TIP3 2527 25.371 62.520 15.686 1.00 0.00 SOLV H ATOM 9612 OH2 TIP3 2528 25.795 59.997 13.839 1.00 0.00 SOLV O ATOM 9613 H1 TIP3 2528 26.353 60.487 13.207 1.00 0.00 SOLV H ATOM 9614 H2 TIP3 2528 24.930 59.988 13.379 1.00 0.00 SOLV H ATOM 9615 OH2 TIP3 2529 27.007 65.340 13.910 1.00 0.00 SOLV O ATOM 9616 H1 TIP3 2529 27.969 65.393 13.830 1.00 0.00 SOLV H ATOM 9617 H2 TIP3 2529 26.699 66.149 13.460 1.00 0.00 SOLV H ATOM 9618 OH2 TIP3 2530 31.494 63.147 18.744 1.00 0.00 SOLV O ATOM 9619 H1 TIP3 2530 31.855 62.250 18.808 1.00 0.00 SOLV H ATOM 9620 H2 TIP3 2530 32.298 63.688 18.721 1.00 0.00 SOLV H ATOM 9621 OH2 TIP3 2531 32.992 65.866 16.944 1.00 0.00 SOLV O ATOM 9622 H1 TIP3 2531 32.717 66.646 16.408 1.00 0.00 SOLV H ATOM 9623 H2 TIP3 2531 33.973 65.975 16.898 1.00 0.00 SOLV H ATOM 9624 OH2 TIP3 2532 23.857 62.386 18.309 1.00 0.00 SOLV O ATOM 9625 H1 TIP3 2532 23.080 61.808 18.157 1.00 0.00 SOLV H ATOM 9626 H2 TIP3 2532 24.368 62.242 17.486 1.00 0.00 SOLV H ATOM 9627 OH2 TIP3 2533 26.482 57.276 14.295 1.00 0.00 SOLV O ATOM 9628 H1 TIP3 2533 26.202 58.200 14.127 1.00 0.00 SOLV H ATOM 9629 H2 TIP3 2533 25.769 56.769 13.857 1.00 0.00 SOLV H ATOM 9630 OH2 TIP3 2534 27.809 61.373 17.742 1.00 0.00 SOLV O ATOM 9631 H1 TIP3 2534 27.370 61.084 18.564 1.00 0.00 SOLV H ATOM 9632 H2 TIP3 2534 27.027 61.423 17.152 1.00 0.00 SOLV H ATOM 9633 OH2 TIP3 2535 30.374 60.769 16.791 1.00 0.00 SOLV O ATOM 9634 H1 TIP3 2535 29.503 60.813 17.233 1.00 0.00 SOLV H ATOM 9635 H2 TIP3 2535 30.913 60.281 17.449 1.00 0.00 SOLV H ATOM 9636 OH2 TIP3 2536 32.059 59.566 18.643 1.00 0.00 SOLV O ATOM 9637 H1 TIP3 2536 32.056 58.588 18.563 1.00 0.00 SOLV H ATOM 9638 H2 TIP3 2536 31.823 59.701 19.584 1.00 0.00 SOLV H ATOM 9639 OH2 TIP3 2537 21.842 60.467 17.960 1.00 0.00 SOLV O ATOM 9640 H1 TIP3 2537 21.827 59.630 17.456 1.00 0.00 SOLV H ATOM 9641 H2 TIP3 2537 21.972 60.124 18.871 1.00 0.00 SOLV H ATOM 9642 OH2 TIP3 2538 26.631 56.679 16.969 1.00 0.00 SOLV O ATOM 9643 H1 TIP3 2538 27.193 55.884 16.880 1.00 0.00 SOLV H ATOM 9644 H2 TIP3 2538 26.518 56.916 16.026 1.00 0.00 SOLV H ATOM 9645 OH2 TIP3 2539 27.174 58.308 19.104 1.00 0.00 SOLV O ATOM 9646 H1 TIP3 2539 27.049 57.783 18.283 1.00 0.00 SOLV H ATOM 9647 H2 TIP3 2539 26.524 59.033 18.984 1.00 0.00 SOLV H ATOM 9648 OH2 TIP3 2540 36.459 67.301 4.466 1.00 0.00 SOLV O ATOM 9649 H1 TIP3 2540 36.778 68.214 4.426 1.00 0.00 SOLV H ATOM 9650 H2 TIP3 2540 36.820 66.937 5.301 1.00 0.00 SOLV H ATOM 9651 OH2 TIP3 2541 37.191 65.668 6.566 1.00 0.00 SOLV O ATOM 9652 H1 TIP3 2541 36.333 65.277 6.847 1.00 0.00 SOLV H ATOM 9653 H2 TIP3 2541 37.694 65.713 7.406 1.00 0.00 SOLV H ATOM 9654 OH2 TIP3 2542 36.749 68.614 11.553 1.00 0.00 SOLV O ATOM 9655 H1 TIP3 2542 37.370 68.094 11.011 1.00 0.00 SOLV H ATOM 9656 H2 TIP3 2542 36.291 69.180 10.893 1.00 0.00 SOLV H ATOM 9657 OH2 TIP3 2543 37.337 65.595 2.619 1.00 0.00 SOLV O ATOM 9658 H1 TIP3 2543 36.810 65.873 1.838 1.00 0.00 SOLV H ATOM 9659 H2 TIP3 2543 36.996 66.243 3.279 1.00 0.00 SOLV H ATOM 9660 OH2 TIP3 2544 35.777 62.900 1.395 1.00 0.00 SOLV O ATOM 9661 H1 TIP3 2544 35.375 63.607 0.877 1.00 0.00 SOLV H ATOM 9662 H2 TIP3 2544 35.305 62.105 1.081 1.00 0.00 SOLV H ATOM 9663 OH2 TIP3 2545 34.834 64.382 7.152 1.00 0.00 SOLV O ATOM 9664 H1 TIP3 2545 34.736 63.488 6.784 1.00 0.00 SOLV H ATOM 9665 H2 TIP3 2545 34.386 64.310 8.022 1.00 0.00 SOLV H ATOM 9666 OH2 TIP3 2546 19.610 66.400 10.978 1.00 0.00 SOLV O ATOM 9667 H1 TIP3 2546 19.769 66.218 10.032 1.00 0.00 SOLV H ATOM 9668 H2 TIP3 2546 20.489 66.155 11.355 1.00 0.00 SOLV H ATOM 9669 OH2 TIP3 2547 35.646 66.279 16.830 1.00 0.00 SOLV O ATOM 9670 H1 TIP3 2547 36.282 65.538 16.743 1.00 0.00 SOLV H ATOM 9671 H2 TIP3 2547 36.186 67.039 16.526 1.00 0.00 SOLV H ATOM 9672 OH2 TIP3 2548 37.188 64.017 16.669 1.00 0.00 SOLV O ATOM 9673 H1 TIP3 2548 36.297 63.627 16.811 1.00 0.00 SOLV H ATOM 9674 H2 TIP3 2548 37.743 63.238 16.886 1.00 0.00 SOLV H ATOM 9675 OH2 TIP3 2549 34.584 60.627 0.494 1.00 0.00 SOLV O ATOM 9676 H1 TIP3 2549 35.117 59.979 0.993 1.00 0.00 SOLV H ATOM 9677 H2 TIP3 2549 33.680 60.412 0.789 1.00 0.00 SOLV H ATOM 9678 OH2 TIP3 2550 34.638 61.998 5.308 1.00 0.00 SOLV O ATOM 9679 H1 TIP3 2550 34.885 61.042 5.300 1.00 0.00 SOLV H ATOM 9680 H2 TIP3 2550 35.420 62.379 4.867 1.00 0.00 SOLV H ATOM 9681 OH2 TIP3 2551 34.938 62.257 10.768 1.00 0.00 SOLV O ATOM 9682 H1 TIP3 2551 35.898 62.403 10.601 1.00 0.00 SOLV H ATOM 9683 H2 TIP3 2551 34.922 62.446 11.727 1.00 0.00 SOLV H ATOM 9684 OH2 TIP3 2552 35.254 63.141 13.429 1.00 0.00 SOLV O ATOM 9685 H1 TIP3 2552 34.458 63.519 13.846 1.00 0.00 SOLV H ATOM 9686 H2 TIP3 2552 35.800 63.946 13.284 1.00 0.00 SOLV H ATOM 9687 OH2 TIP3 2553 19.500 61.568 17.041 1.00 0.00 SOLV O ATOM 9688 H1 TIP3 2553 20.391 61.343 17.384 1.00 0.00 SOLV H ATOM 9689 H2 TIP3 2553 19.052 60.704 17.149 1.00 0.00 SOLV H ATOM 9690 OH2 TIP3 2554 37.442 57.341 18.789 1.00 0.00 SOLV O ATOM 9691 H1 TIP3 2554 38.094 56.716 18.406 1.00 0.00 SOLV H ATOM 9692 H2 TIP3 2554 37.411 58.039 18.099 1.00 0.00 SOLV H ATOM 9693 OH2 TIP3 2555 35.202 59.300 5.341 1.00 0.00 SOLV O ATOM 9694 H1 TIP3 2555 35.387 58.867 6.199 1.00 0.00 SOLV H ATOM 9695 H2 TIP3 2555 34.517 58.696 4.983 1.00 0.00 SOLV H ATOM 9696 OH2 TIP3 2556 20.543 60.053 9.988 1.00 0.00 SOLV O ATOM 9697 H1 TIP3 2556 21.005 59.191 10.012 1.00 0.00 SOLV H ATOM 9698 H2 TIP3 2556 21.276 60.659 10.198 1.00 0.00 SOLV H ATOM 9699 OH2 TIP3 2557 18.750 62.892 10.789 1.00 0.00 SOLV O ATOM 9700 H1 TIP3 2557 19.490 62.962 10.154 1.00 0.00 SOLV H ATOM 9701 H2 TIP3 2557 19.004 63.531 11.465 1.00 0.00 SOLV H ATOM 9702 OH2 TIP3 2558 36.888 59.213 16.924 1.00 0.00 SOLV O ATOM 9703 H1 TIP3 2558 36.108 59.769 17.133 1.00 0.00 SOLV H ATOM 9704 H2 TIP3 2558 36.552 58.733 16.140 1.00 0.00 SOLV H ATOM 9705 OH2 TIP3 2559 36.770 59.211 1.953 1.00 0.00 SOLV O ATOM 9706 H1 TIP3 2559 37.056 59.331 1.013 1.00 0.00 SOLV H ATOM 9707 H2 TIP3 2559 37.458 59.742 2.394 1.00 0.00 SOLV H ATOM 9708 OH2 TIP3 2560 19.395 59.072 4.819 1.00 0.00 SOLV O ATOM 9709 H1 TIP3 2560 18.437 59.137 4.968 1.00 0.00 SOLV H ATOM 9710 H2 TIP3 2560 19.572 59.851 4.256 1.00 0.00 SOLV H ATOM 9711 OH2 TIP3 2561 19.341 57.843 13.280 1.00 0.00 SOLV O ATOM 9712 H1 TIP3 2561 18.630 57.788 13.939 1.00 0.00 SOLV H ATOM 9713 H2 TIP3 2561 18.954 58.481 12.648 1.00 0.00 SOLV H ATOM 9714 OH2 TIP3 2562 35.975 57.364 15.027 1.00 0.00 SOLV O ATOM 9715 H1 TIP3 2562 35.220 57.501 14.429 1.00 0.00 SOLV H ATOM 9716 H2 TIP3 2562 36.218 56.432 14.824 1.00 0.00 SOLV H ATOM 9717 OH2 TIP3 2563 29.298 58.802 9.382 1.00 0.00 SOLV O ATOM 9718 H1 TIP3 2563 28.718 58.052 9.597 1.00 0.00 SOLV H ATOM 9719 H2 TIP3 2563 30.109 58.356 9.058 1.00 0.00 SOLV H ATOM 9720 OH2 TIP3 2564 34.334 56.906 9.414 1.00 0.00 SOLV O ATOM 9721 H1 TIP3 2564 34.955 57.470 8.900 1.00 0.00 SOLV H ATOM 9722 H2 TIP3 2564 33.478 57.325 9.211 1.00 0.00 SOLV H ATOM 9723 OH2 TIP3 2565 36.061 58.038 7.642 1.00 0.00 SOLV O ATOM 9724 H1 TIP3 2565 36.802 57.460 7.361 1.00 0.00 SOLV H ATOM 9725 H2 TIP3 2565 36.556 58.873 7.812 1.00 0.00 SOLV H ATOM 9726 OH2 TIP3 2566 21.717 57.394 7.040 1.00 0.00 SOLV O ATOM 9727 H1 TIP3 2566 20.776 57.237 6.801 1.00 0.00 SOLV H ATOM 9728 H2 TIP3 2566 22.075 56.489 6.913 1.00 0.00 SOLV H ATOM 9729 OH2 TIP3 2567 20.441 57.182 3.026 1.00 0.00 SOLV O ATOM 9730 H1 TIP3 2567 21.133 57.748 2.610 1.00 0.00 SOLV H ATOM 9731 H2 TIP3 2567 20.092 57.805 3.704 1.00 0.00 SOLV H ATOM 9732 OH2 TIP3 2568 26.386 57.078 7.111 1.00 0.00 SOLV O ATOM 9733 H1 TIP3 2568 27.140 57.519 6.686 1.00 0.00 SOLV H ATOM 9734 H2 TIP3 2568 26.577 57.210 8.053 1.00 0.00 SOLV H ATOM 9735 OH2 TIP3 2569 31.667 57.549 8.528 1.00 0.00 SOLV O ATOM 9736 H1 TIP3 2569 31.956 57.275 7.647 1.00 0.00 SOLV H ATOM 9737 H2 TIP3 2569 31.355 56.692 8.905 1.00 0.00 SOLV H ATOM 9738 OH2 TIP3 2570 33.200 57.619 4.388 1.00 0.00 SOLV O ATOM 9739 H1 TIP3 2570 32.372 58.130 4.391 1.00 0.00 SOLV H ATOM 9740 H2 TIP3 2570 32.853 56.719 4.574 1.00 0.00 SOLV H ATOM 9741 OH2 TIP3 2571 22.491 58.637 1.937 1.00 0.00 SOLV O ATOM 9742 H1 TIP3 2571 22.767 58.714 1.017 1.00 0.00 SOLV H ATOM 9743 H2 TIP3 2571 23.223 59.089 2.399 1.00 0.00 SOLV H ATOM 9744 OH2 TIP3 2572 27.365 59.600 3.890 1.00 0.00 SOLV O ATOM 9745 H1 TIP3 2572 27.717 58.937 4.514 1.00 0.00 SOLV H ATOM 9746 H2 TIP3 2572 27.576 60.415 4.399 1.00 0.00 SOLV H ATOM 9747 OH2 TIP3 2573 21.654 57.985 16.601 1.00 0.00 SOLV O ATOM 9748 H1 TIP3 2573 21.063 57.263 16.893 1.00 0.00 SOLV H ATOM 9749 H2 TIP3 2573 22.468 57.751 17.098 1.00 0.00 SOLV H ATOM 9750 OH2 TIP3 2574 23.725 57.283 18.316 1.00 0.00 SOLV O ATOM 9751 H1 TIP3 2574 24.624 56.981 18.095 1.00 0.00 SOLV H ATOM 9752 H2 TIP3 2574 23.353 56.487 18.747 1.00 0.00 SOLV H ATOM 9753 OH2 TIP3 2575 32.309 56.786 18.417 1.00 0.00 SOLV O ATOM 9754 H1 TIP3 2575 32.174 56.285 19.252 1.00 0.00 SOLV H ATOM 9755 H2 TIP3 2575 33.266 56.636 18.258 1.00 0.00 SOLV H ATOM 9756 OH2 TIP3 2576 49.779 66.596 7.022 1.00 0.00 SOLV O ATOM 9757 H1 TIP3 2576 49.303 67.342 7.401 1.00 0.00 SOLV H ATOM 9758 H2 TIP3 2576 49.172 66.323 6.302 1.00 0.00 SOLV H ATOM 9759 OH2 TIP3 2577 48.709 65.764 10.684 1.00 0.00 SOLV O ATOM 9760 H1 TIP3 2577 48.842 65.384 11.581 1.00 0.00 SOLV H ATOM 9761 H2 TIP3 2577 48.211 65.041 10.257 1.00 0.00 SOLV H ATOM 9762 OH2 TIP3 2578 40.782 65.464 12.163 1.00 0.00 SOLV O ATOM 9763 H1 TIP3 2578 40.775 64.557 12.522 1.00 0.00 SOLV H ATOM 9764 H2 TIP3 2578 41.414 65.872 12.777 1.00 0.00 SOLV H ATOM 9765 OH2 TIP3 2579 51.474 68.573 9.146 1.00 0.00 SOLV O ATOM 9766 H1 TIP3 2579 51.247 67.637 9.065 1.00 0.00 SOLV H ATOM 9767 H2 TIP3 2579 51.907 68.569 10.007 1.00 0.00 SOLV H ATOM 9768 OH2 TIP3 2580 38.705 63.366 5.804 1.00 0.00 SOLV O ATOM 9769 H1 TIP3 2580 38.281 64.179 6.133 1.00 0.00 SOLV H ATOM 9770 H2 TIP3 2580 38.095 63.156 5.068 1.00 0.00 SOLV H ATOM 9771 OH2 TIP3 2581 39.130 65.651 8.481 1.00 0.00 SOLV O ATOM 9772 H1 TIP3 2581 39.384 64.725 8.697 1.00 0.00 SOLV H ATOM 9773 H2 TIP3 2581 39.987 66.035 8.248 1.00 0.00 SOLV H ATOM 9774 OH2 TIP3 2582 47.117 68.070 11.219 1.00 0.00 SOLV O ATOM 9775 H1 TIP3 2582 47.542 67.253 10.895 1.00 0.00 SOLV H ATOM 9776 H2 TIP3 2582 47.829 68.364 11.828 1.00 0.00 SOLV H ATOM 9777 OH2 TIP3 2583 55.740 59.874 11.944 1.00 0.00 SOLV O ATOM 9778 H1 TIP3 2583 56.008 60.545 12.604 1.00 0.00 SOLV H ATOM 9779 H2 TIP3 2583 56.237 60.164 11.159 1.00 0.00 SOLV H ATOM 9780 OH2 TIP3 2584 50.151 62.725 11.135 1.00 0.00 SOLV O ATOM 9781 H1 TIP3 2584 50.371 61.782 11.264 1.00 0.00 SOLV H ATOM 9782 H2 TIP3 2584 50.010 62.748 10.168 1.00 0.00 SOLV H ATOM 9783 OH2 TIP3 2585 43.561 60.769 8.503 1.00 0.00 SOLV O ATOM 9784 H1 TIP3 2585 43.596 61.641 8.056 1.00 0.00 SOLV H ATOM 9785 H2 TIP3 2585 43.063 60.253 7.833 1.00 0.00 SOLV H ATOM 9786 OH2 TIP3 2586 51.306 61.067 6.768 1.00 0.00 SOLV O ATOM 9787 H1 TIP3 2586 51.771 60.680 7.547 1.00 0.00 SOLV H ATOM 9788 H2 TIP3 2586 52.064 61.432 6.274 1.00 0.00 SOLV H ATOM 9789 OH2 TIP3 2587 39.928 63.166 9.193 1.00 0.00 SOLV O ATOM 9790 H1 TIP3 2587 40.583 62.744 9.783 1.00 0.00 SOLV H ATOM 9791 H2 TIP3 2587 40.213 62.786 8.333 1.00 0.00 SOLV H ATOM 9792 OH2 TIP3 2588 44.970 64.669 8.708 1.00 0.00 SOLV O ATOM 9793 H1 TIP3 2588 45.804 64.241 8.999 1.00 0.00 SOLV H ATOM 9794 H2 TIP3 2588 44.569 63.974 8.141 1.00 0.00 SOLV H ATOM 9795 OH2 TIP3 2589 56.245 61.460 14.206 1.00 0.00 SOLV O ATOM 9796 H1 TIP3 2589 55.499 62.059 13.994 1.00 0.00 SOLV H ATOM 9797 H2 TIP3 2589 56.402 61.677 15.144 1.00 0.00 SOLV H ATOM 9798 OH2 TIP3 2590 42.195 59.794 12.577 1.00 0.00 SOLV O ATOM 9799 H1 TIP3 2590 41.890 60.413 11.887 1.00 0.00 SOLV H ATOM 9800 H2 TIP3 2590 41.480 59.910 13.241 1.00 0.00 SOLV H ATOM 9801 OH2 TIP3 2591 44.752 67.463 12.514 1.00 0.00 SOLV O ATOM 9802 H1 TIP3 2591 44.080 68.146 12.364 1.00 0.00 SOLV H ATOM 9803 H2 TIP3 2591 45.551 67.891 12.139 1.00 0.00 SOLV H ATOM 9804 OH2 TIP3 2592 52.592 60.437 9.083 1.00 0.00 SOLV O ATOM 9805 H1 TIP3 2592 52.010 60.069 9.768 1.00 0.00 SOLV H ATOM 9806 H2 TIP3 2592 53.154 61.040 9.612 1.00 0.00 SOLV H ATOM 9807 OH2 TIP3 2593 41.784 61.562 10.480 1.00 0.00 SOLV O ATOM 9808 H1 TIP3 2593 42.379 62.112 11.040 1.00 0.00 SOLV H ATOM 9809 H2 TIP3 2593 42.431 61.231 9.817 1.00 0.00 SOLV H ATOM 9810 OH2 TIP3 2594 53.185 58.905 12.710 1.00 0.00 SOLV O ATOM 9811 H1 TIP3 2594 52.499 59.436 12.277 1.00 0.00 SOLV H ATOM 9812 H2 TIP3 2594 54.006 59.260 12.308 1.00 0.00 SOLV H ATOM 9813 OH2 TIP3 2595 45.866 56.899 10.065 1.00 0.00 SOLV O ATOM 9814 H1 TIP3 2595 45.510 55.992 9.996 1.00 0.00 SOLV H ATOM 9815 H2 TIP3 2595 45.085 57.364 10.441 1.00 0.00 SOLV H ATOM 9816 OH2 TIP3 2596 48.431 65.884 4.746 1.00 0.00 SOLV O ATOM 9817 H1 TIP3 2596 47.782 66.548 4.418 1.00 0.00 SOLV H ATOM 9818 H2 TIP3 2596 49.015 65.798 3.966 1.00 0.00 SOLV H ATOM 9819 OH2 TIP3 2597 48.506 64.199 1.176 1.00 0.00 SOLV O ATOM 9820 H1 TIP3 2597 49.159 64.582 1.788 1.00 0.00 SOLV H ATOM 9821 H2 TIP3 2597 49.065 63.633 0.608 1.00 0.00 SOLV H ATOM 9822 OH2 TIP3 2598 55.659 65.334 12.894 1.00 0.00 SOLV O ATOM 9823 H1 TIP3 2598 54.970 66.020 13.010 1.00 0.00 SOLV H ATOM 9824 H2 TIP3 2598 56.221 65.753 12.211 1.00 0.00 SOLV H ATOM 9825 OH2 TIP3 2599 51.826 65.593 5.471 1.00 0.00 SOLV O ATOM 9826 H1 TIP3 2599 51.165 65.911 6.126 1.00 0.00 SOLV H ATOM 9827 H2 TIP3 2599 52.530 65.251 6.063 1.00 0.00 SOLV H ATOM 9828 OH2 TIP3 2600 51.622 64.111 14.771 1.00 0.00 SOLV O ATOM 9829 H1 TIP3 2600 51.601 64.762 15.505 1.00 0.00 SOLV H ATOM 9830 H2 TIP3 2600 50.941 64.483 14.179 1.00 0.00 SOLV H ATOM 9831 OH2 TIP3 2601 43.294 66.550 7.579 1.00 0.00 SOLV O ATOM 9832 H1 TIP3 2601 43.030 66.206 6.696 1.00 0.00 SOLV H ATOM 9833 H2 TIP3 2601 43.864 65.831 7.925 1.00 0.00 SOLV H ATOM 9834 OH2 TIP3 2602 43.676 65.414 11.002 1.00 0.00 SOLV O ATOM 9835 H1 TIP3 2602 44.209 65.257 10.194 1.00 0.00 SOLV H ATOM 9836 H2 TIP3 2602 44.188 66.103 11.470 1.00 0.00 SOLV H ATOM 9837 OH2 TIP3 2603 50.518 65.284 3.041 1.00 0.00 SOLV O ATOM 9838 H1 TIP3 2603 51.025 65.580 3.829 1.00 0.00 SOLV H ATOM 9839 H2 TIP3 2603 51.088 65.664 2.324 1.00 0.00 SOLV H ATOM 9840 OH2 TIP3 2604 41.745 65.822 14.911 1.00 0.00 SOLV O ATOM 9841 H1 TIP3 2604 41.892 66.492 15.622 1.00 0.00 SOLV H ATOM 9842 H2 TIP3 2604 40.771 65.724 14.995 1.00 0.00 SOLV H ATOM 9843 OH2 TIP3 2605 54.433 56.994 3.042 1.00 0.00 SOLV O ATOM 9844 H1 TIP3 2605 53.536 57.304 3.284 1.00 0.00 SOLV H ATOM 9845 H2 TIP3 2605 54.837 57.823 2.696 1.00 0.00 SOLV H ATOM 9846 OH2 TIP3 2606 42.360 65.878 5.037 1.00 0.00 SOLV O ATOM 9847 H1 TIP3 2606 41.893 66.506 4.443 1.00 0.00 SOLV H ATOM 9848 H2 TIP3 2606 42.004 65.033 4.737 1.00 0.00 SOLV H ATOM 9849 OH2 TIP3 2607 38.264 68.013 13.905 1.00 0.00 SOLV O ATOM 9850 H1 TIP3 2607 37.958 68.048 12.983 1.00 0.00 SOLV H ATOM 9851 H2 TIP3 2607 38.707 67.149 13.960 1.00 0.00 SOLV H ATOM 9852 OH2 TIP3 2608 53.502 62.927 16.942 1.00 0.00 SOLV O ATOM 9853 H1 TIP3 2608 52.804 63.259 16.360 1.00 0.00 SOLV H ATOM 9854 H2 TIP3 2608 53.551 61.986 16.677 1.00 0.00 SOLV H ATOM 9855 OH2 TIP3 2609 43.398 57.859 10.994 1.00 0.00 SOLV O ATOM 9856 H1 TIP3 2609 42.624 57.820 10.393 1.00 0.00 SOLV H ATOM 9857 H2 TIP3 2609 43.097 58.581 11.586 1.00 0.00 SOLV H ATOM 9858 OH2 TIP3 2610 48.169 57.537 14.291 1.00 0.00 SOLV O ATOM 9859 H1 TIP3 2610 48.635 57.065 15.013 1.00 0.00 SOLV H ATOM 9860 H2 TIP3 2610 47.230 57.460 14.552 1.00 0.00 SOLV H ATOM 9861 OH2 TIP3 2611 51.143 61.413 15.043 1.00 0.00 SOLV O ATOM 9862 H1 TIP3 2611 50.439 61.339 15.729 1.00 0.00 SOLV H ATOM 9863 H2 TIP3 2611 51.188 62.379 14.892 1.00 0.00 SOLV H ATOM 9864 OH2 TIP3 2612 52.150 66.162 1.098 1.00 0.00 SOLV O ATOM 9865 H1 TIP3 2612 51.843 66.258 0.173 1.00 0.00 SOLV H ATOM 9866 H2 TIP3 2612 53.099 66.373 0.992 1.00 0.00 SOLV H ATOM 9867 OH2 TIP3 2613 47.803 60.070 1.658 1.00 0.00 SOLV O ATOM 9868 H1 TIP3 2613 47.269 59.862 2.451 1.00 0.00 SOLV H ATOM 9869 H2 TIP3 2613 47.131 60.077 0.966 1.00 0.00 SOLV H ATOM 9870 OH2 TIP3 2614 43.448 62.973 12.145 1.00 0.00 SOLV O ATOM 9871 H1 TIP3 2614 42.773 63.095 12.846 1.00 0.00 SOLV H ATOM 9872 H2 TIP3 2614 43.507 63.889 11.784 1.00 0.00 SOLV H ATOM 9873 OH2 TIP3 2615 43.481 63.066 7.073 1.00 0.00 SOLV O ATOM 9874 H1 TIP3 2615 42.509 62.946 6.982 1.00 0.00 SOLV H ATOM 9875 H2 TIP3 2615 43.769 62.748 6.188 1.00 0.00 SOLV H ATOM 9876 OH2 TIP3 2616 49.008 63.400 5.847 1.00 0.00 SOLV O ATOM 9877 H1 TIP3 2616 48.790 64.274 5.460 1.00 0.00 SOLV H ATOM 9878 H2 TIP3 2616 49.684 63.069 5.219 1.00 0.00 SOLV H ATOM 9879 OH2 TIP3 2617 48.072 63.590 16.975 1.00 0.00 SOLV O ATOM 9880 H1 TIP3 2617 47.645 62.813 17.400 1.00 0.00 SOLV H ATOM 9881 H2 TIP3 2617 48.886 63.663 17.506 1.00 0.00 SOLV H ATOM 9882 OH2 TIP3 2618 49.898 62.855 8.414 1.00 0.00 SOLV O ATOM 9883 H1 TIP3 2618 49.468 63.334 7.675 1.00 0.00 SOLV H ATOM 9884 H2 TIP3 2618 50.308 62.137 7.886 1.00 0.00 SOLV H ATOM 9885 OH2 TIP3 2619 41.182 63.107 13.696 1.00 0.00 SOLV O ATOM 9886 H1 TIP3 2619 41.318 63.599 14.522 1.00 0.00 SOLV H ATOM 9887 H2 TIP3 2619 40.832 62.253 14.018 1.00 0.00 SOLV H ATOM 9888 OH2 TIP3 2620 44.087 60.238 0.190 1.00 0.00 SOLV O ATOM 9889 H1 TIP3 2620 43.927 60.197 1.151 1.00 0.00 SOLV H ATOM 9890 H2 TIP3 2620 44.027 61.196 0.022 1.00 0.00 SOLV H ATOM 9891 OH2 TIP3 2621 37.790 60.087 7.722 1.00 0.00 SOLV O ATOM 9892 H1 TIP3 2621 38.381 60.202 8.494 1.00 0.00 SOLV H ATOM 9893 H2 TIP3 2621 38.404 59.960 6.986 1.00 0.00 SOLV H ATOM 9894 OH2 TIP3 2622 38.686 61.054 2.984 1.00 0.00 SOLV O ATOM 9895 H1 TIP3 2622 39.466 61.380 2.506 1.00 0.00 SOLV H ATOM 9896 H2 TIP3 2622 38.216 61.886 3.191 1.00 0.00 SOLV H ATOM 9897 OH2 TIP3 2623 49.198 64.429 12.991 1.00 0.00 SOLV O ATOM 9898 H1 TIP3 2623 49.602 63.787 12.359 1.00 0.00 SOLV H ATOM 9899 H2 TIP3 2623 48.606 63.822 13.488 1.00 0.00 SOLV H ATOM 9900 OH2 TIP3 2624 46.351 60.498 7.929 1.00 0.00 SOLV O ATOM 9901 H1 TIP3 2624 45.439 60.556 8.280 1.00 0.00 SOLV H ATOM 9902 H2 TIP3 2624 46.837 60.114 8.683 1.00 0.00 SOLV H ATOM 9903 OH2 TIP3 2625 40.919 62.210 6.808 1.00 0.00 SOLV O ATOM 9904 H1 TIP3 2625 40.117 62.537 6.330 1.00 0.00 SOLV H ATOM 9905 H2 TIP3 2625 41.046 61.317 6.439 1.00 0.00 SOLV H ATOM 9906 OH2 TIP3 2626 44.238 62.081 4.670 1.00 0.00 SOLV O ATOM 9907 H1 TIP3 2626 45.211 62.129 4.776 1.00 0.00 SOLV H ATOM 9908 H2 TIP3 2626 44.056 62.730 3.954 1.00 0.00 SOLV H ATOM 9909 OH2 TIP3 2627 50.480 59.973 11.124 1.00 0.00 SOLV O ATOM 9910 H1 TIP3 2627 50.029 59.955 12.003 1.00 0.00 SOLV H ATOM 9911 H2 TIP3 2627 49.771 59.611 10.565 1.00 0.00 SOLV H ATOM 9912 OH2 TIP3 2628 43.346 63.601 2.625 1.00 0.00 SOLV O ATOM 9913 H1 TIP3 2628 42.518 63.314 2.211 1.00 0.00 SOLV H ATOM 9914 H2 TIP3 2628 43.934 63.704 1.854 1.00 0.00 SOLV H ATOM 9915 OH2 TIP3 2629 41.838 67.496 17.023 1.00 0.00 SOLV O ATOM 9916 H1 TIP3 2629 42.364 67.448 17.851 1.00 0.00 SOLV H ATOM 9917 H2 TIP3 2629 40.958 67.699 17.402 1.00 0.00 SOLV H ATOM 9918 OH2 TIP3 2630 47.178 63.433 9.863 1.00 0.00 SOLV O ATOM 9919 H1 TIP3 2630 47.907 62.905 9.506 1.00 0.00 SOLV H ATOM 9920 H2 TIP3 2630 46.832 62.857 10.577 1.00 0.00 SOLV H ATOM 9921 OH2 TIP3 2631 42.100 59.575 6.441 1.00 0.00 SOLV O ATOM 9922 H1 TIP3 2631 41.491 58.839 6.679 1.00 0.00 SOLV H ATOM 9923 H2 TIP3 2631 42.603 59.166 5.727 1.00 0.00 SOLV H ATOM 9924 OH2 TIP3 2632 46.060 62.068 12.182 1.00 0.00 SOLV O ATOM 9925 H1 TIP3 2632 45.175 62.485 12.258 1.00 0.00 SOLV H ATOM 9926 H2 TIP3 2632 46.527 62.408 12.972 1.00 0.00 SOLV H ATOM 9927 OH2 TIP3 2633 46.606 67.741 3.906 1.00 0.00 SOLV O ATOM 9928 H1 TIP3 2633 45.878 67.369 3.368 1.00 0.00 SOLV H ATOM 9929 H2 TIP3 2633 46.146 67.862 4.766 1.00 0.00 SOLV H ATOM 9930 OH2 TIP3 2634 53.613 67.253 12.766 1.00 0.00 SOLV O ATOM 9931 H1 TIP3 2634 54.189 67.790 12.183 1.00 0.00 SOLV H ATOM 9932 H2 TIP3 2634 52.903 66.961 12.160 1.00 0.00 SOLV H ATOM 9933 OH2 TIP3 2635 50.498 60.505 2.184 1.00 0.00 SOLV O ATOM 9934 H1 TIP3 2635 49.547 60.437 1.950 1.00 0.00 SOLV H ATOM 9935 H2 TIP3 2635 50.552 61.374 2.624 1.00 0.00 SOLV H ATOM 9936 OH2 TIP3 2636 48.294 67.986 15.598 1.00 0.00 SOLV O ATOM 9937 H1 TIP3 2636 48.666 67.452 16.332 1.00 0.00 SOLV H ATOM 9938 H2 TIP3 2636 47.394 68.118 15.943 1.00 0.00 SOLV H ATOM 9939 OH2 TIP3 2637 50.961 62.668 3.960 1.00 0.00 SOLV O ATOM 9940 H1 TIP3 2637 51.855 62.588 4.342 1.00 0.00 SOLV H ATOM 9941 H2 TIP3 2637 50.965 63.581 3.607 1.00 0.00 SOLV H ATOM 9942 OH2 TIP3 2638 41.557 67.290 9.589 1.00 0.00 SOLV O ATOM 9943 H1 TIP3 2638 42.260 67.086 8.935 1.00 0.00 SOLV H ATOM 9944 H2 TIP3 2638 41.769 66.665 10.303 1.00 0.00 SOLV H ATOM 9945 OH2 TIP3 2639 39.024 65.414 15.070 1.00 0.00 SOLV O ATOM 9946 H1 TIP3 2639 38.725 65.124 15.952 1.00 0.00 SOLV H ATOM 9947 H2 TIP3 2639 38.284 65.089 14.532 1.00 0.00 SOLV H ATOM 9948 OH2 TIP3 2640 45.936 65.351 17.255 1.00 0.00 SOLV O ATOM 9949 H1 TIP3 2640 45.303 64.843 16.723 1.00 0.00 SOLV H ATOM 9950 H2 TIP3 2640 46.775 64.878 17.066 1.00 0.00 SOLV H ATOM 9951 OH2 TIP3 2641 55.816 63.174 3.735 1.00 0.00 SOLV O ATOM 9952 H1 TIP3 2641 55.328 62.982 2.899 1.00 0.00 SOLV H ATOM 9953 H2 TIP3 2641 55.994 64.123 3.540 1.00 0.00 SOLV H ATOM 9954 OH2 TIP3 2642 56.090 68.415 16.303 1.00 0.00 SOLV O ATOM 9955 H1 TIP3 2642 55.472 69.120 16.024 1.00 0.00 SOLV H ATOM 9956 H2 TIP3 2642 56.526 68.247 15.435 1.00 0.00 SOLV H ATOM 9957 OH2 TIP3 2643 51.502 66.374 10.989 1.00 0.00 SOLV O ATOM 9958 H1 TIP3 2643 50.536 66.252 10.891 1.00 0.00 SOLV H ATOM 9959 H2 TIP3 2643 51.826 65.582 10.506 1.00 0.00 SOLV H ATOM 9960 OH2 TIP3 2644 39.923 65.447 1.797 1.00 0.00 SOLV O ATOM 9961 H1 TIP3 2644 40.328 66.220 2.239 1.00 0.00 SOLV H ATOM 9962 H2 TIP3 2644 38.985 65.549 2.073 1.00 0.00 SOLV H ATOM 9963 OH2 TIP3 2645 45.334 68.024 6.294 1.00 0.00 SOLV O ATOM 9964 H1 TIP3 2645 45.060 68.904 6.599 1.00 0.00 SOLV H ATOM 9965 H2 TIP3 2645 44.751 67.451 6.825 1.00 0.00 SOLV H ATOM 9966 OH2 TIP3 2646 49.334 68.112 12.829 1.00 0.00 SOLV O ATOM 9967 H1 TIP3 2646 49.065 67.937 13.749 1.00 0.00 SOLV H ATOM 9968 H2 TIP3 2646 50.190 67.667 12.778 1.00 0.00 SOLV H ATOM 9969 OH2 TIP3 2647 40.174 60.485 14.358 1.00 0.00 SOLV O ATOM 9970 H1 TIP3 2647 39.217 60.658 14.283 1.00 0.00 SOLV H ATOM 9971 H2 TIP3 2647 40.206 59.900 15.133 1.00 0.00 SOLV H ATOM 9972 OH2 TIP3 2648 52.554 67.883 4.165 1.00 0.00 SOLV O ATOM 9973 H1 TIP3 2648 52.432 67.029 4.622 1.00 0.00 SOLV H ATOM 9974 H2 TIP3 2648 53.479 67.806 3.859 1.00 0.00 SOLV H ATOM 9975 OH2 TIP3 2649 41.172 67.512 3.140 1.00 0.00 SOLV O ATOM 9976 H1 TIP3 2649 40.546 68.274 3.227 1.00 0.00 SOLV H ATOM 9977 H2 TIP3 2649 41.773 67.837 2.454 1.00 0.00 SOLV H ATOM 9978 OH2 TIP3 2650 49.233 59.988 13.537 1.00 0.00 SOLV O ATOM 9979 H1 TIP3 2650 49.867 60.244 14.232 1.00 0.00 SOLV H ATOM 9980 H2 TIP3 2650 48.843 59.162 13.892 1.00 0.00 SOLV H ATOM 9981 OH2 TIP3 2651 49.908 59.460 4.886 1.00 0.00 SOLV O ATOM 9982 H1 TIP3 2651 50.112 59.857 4.018 1.00 0.00 SOLV H ATOM 9983 H2 TIP3 2651 50.331 60.099 5.500 1.00 0.00 SOLV H ATOM 9984 OH2 TIP3 2652 46.849 61.719 5.520 1.00 0.00 SOLV O ATOM 9985 H1 TIP3 2652 47.607 62.325 5.671 1.00 0.00 SOLV H ATOM 9986 H2 TIP3 2652 46.687 61.391 6.432 1.00 0.00 SOLV H ATOM 9987 OH2 TIP3 2653 47.744 62.625 14.399 1.00 0.00 SOLV O ATOM 9988 H1 TIP3 2653 47.833 62.963 15.318 1.00 0.00 SOLV H ATOM 9989 H2 TIP3 2653 48.057 61.711 14.492 1.00 0.00 SOLV H ATOM 9990 OH2 TIP3 2654 47.564 58.463 6.043 1.00 0.00 SOLV O ATOM 9991 H1 TIP3 2654 47.440 59.121 6.752 1.00 0.00 SOLV H ATOM 9992 H2 TIP3 2654 48.412 58.781 5.650 1.00 0.00 SOLV H ATOM 9993 OH2 TIP3 2655 43.634 59.986 2.973 1.00 0.00 SOLV O ATOM 9994 H1 TIP3 2655 43.581 60.745 3.593 1.00 0.00 SOLV H ATOM 9995 H2 TIP3 2655 44.513 59.644 3.244 1.00 0.00 SOLV H ATOM 9996 OH2 TIP3 2656 53.613 60.483 15.611 1.00 0.00 SOLV O ATOM 9997 H1 TIP3 2656 52.666 60.645 15.402 1.00 0.00 SOLV H ATOM 9998 H2 TIP3 2656 53.954 60.263 14.735 1.00 0.00 SOLV H ATOM 9999 OH2 TIP3 2657 52.262 64.166 9.460 1.00 0.00 SOLV O ATOM 10000 H1 TIP3 2657 51.424 63.719 9.237 1.00 0.00 SOLV H ATOM 10001 H2 TIP3 2657 52.728 63.476 9.984 1.00 0.00 SOLV H ATOM 10002 OH2 TIP3 2658 40.481 62.887 1.232 1.00 0.00 SOLV O ATOM 10003 H1 TIP3 2658 40.279 63.822 1.483 1.00 0.00 SOLV H ATOM 10004 H2 TIP3 2658 39.768 62.712 0.605 1.00 0.00 SOLV H ATOM 10005 OH2 TIP3 2659 40.910 57.691 9.775 1.00 0.00 SOLV O ATOM 10006 H1 TIP3 2659 40.799 57.580 8.806 1.00 0.00 SOLV H ATOM 10007 H2 TIP3 2659 40.522 56.860 10.117 1.00 0.00 SOLV H ATOM 10008 OH2 TIP3 2660 39.283 67.873 18.010 1.00 0.00 SOLV O ATOM 10009 H1 TIP3 2660 39.319 66.941 18.316 1.00 0.00 SOLV H ATOM 10010 H2 TIP3 2660 38.462 67.898 17.477 1.00 0.00 SOLV H ATOM 10011 OH2 TIP3 2661 43.332 67.802 0.579 1.00 0.00 SOLV O ATOM 10012 H1 TIP3 2661 43.898 67.504 1.320 1.00 0.00 SOLV H ATOM 10013 H2 TIP3 2661 43.713 68.656 0.319 1.00 0.00 SOLV H ATOM 10014 OH2 TIP3 2662 45.673 68.137 17.387 1.00 0.00 SOLV O ATOM 10015 H1 TIP3 2662 44.950 68.043 16.756 1.00 0.00 SOLV H ATOM 10016 H2 TIP3 2662 45.934 67.203 17.517 1.00 0.00 SOLV H ATOM 10017 OH2 TIP3 2663 51.293 67.895 15.268 1.00 0.00 SOLV O ATOM 10018 H1 TIP3 2663 52.015 68.389 14.860 1.00 0.00 SOLV H ATOM 10019 H2 TIP3 2663 50.601 68.561 15.383 1.00 0.00 SOLV H ATOM 10020 OH2 TIP3 2664 40.104 65.203 18.509 1.00 0.00 SOLV O ATOM 10021 H1 TIP3 2664 40.803 64.689 18.093 1.00 0.00 SOLV H ATOM 10022 H2 TIP3 2664 40.528 65.325 19.396 1.00 0.00 SOLV H ATOM 10023 OH2 TIP3 2665 44.535 66.480 2.660 1.00 0.00 SOLV O ATOM 10024 H1 TIP3 2665 43.933 66.022 3.271 1.00 0.00 SOLV H ATOM 10025 H2 TIP3 2665 44.907 65.724 2.153 1.00 0.00 SOLV H ATOM 10026 OH2 TIP3 2666 43.879 64.106 15.149 1.00 0.00 SOLV O ATOM 10027 H1 TIP3 2666 43.185 64.791 15.036 1.00 0.00 SOLV H ATOM 10028 H2 TIP3 2666 44.622 64.503 14.638 1.00 0.00 SOLV H ATOM 10029 OH2 TIP3 2667 45.733 64.469 1.144 1.00 0.00 SOLV O ATOM 10030 H1 TIP3 2667 45.723 64.382 0.184 1.00 0.00 SOLV H ATOM 10031 H2 TIP3 2667 46.695 64.363 1.319 1.00 0.00 SOLV H ATOM 10032 OH2 TIP3 2668 48.929 66.572 18.048 1.00 0.00 SOLV O ATOM 10033 H1 TIP3 2668 49.814 66.573 18.430 1.00 0.00 SOLV H ATOM 10034 H2 TIP3 2668 48.446 66.058 18.720 1.00 0.00 SOLV H ATOM 10035 OH2 TIP3 2669 54.809 66.590 0.468 1.00 0.00 SOLV O ATOM 10036 H1 TIP3 2669 55.204 66.338 -0.379 1.00 0.00 SOLV H ATOM 10037 H2 TIP3 2669 55.036 67.547 0.447 1.00 0.00 SOLV H ATOM 10038 OH2 TIP3 2670 44.514 61.616 16.003 1.00 0.00 SOLV O ATOM 10039 H1 TIP3 2670 44.548 61.025 15.225 1.00 0.00 SOLV H ATOM 10040 H2 TIP3 2670 44.291 62.487 15.598 1.00 0.00 SOLV H ATOM 10041 OH2 TIP3 2671 44.680 59.956 13.743 1.00 0.00 SOLV O ATOM 10042 H1 TIP3 2671 45.207 60.484 13.117 1.00 0.00 SOLV H ATOM 10043 H2 TIP3 2671 43.792 59.969 13.326 1.00 0.00 SOLV H ATOM 10044 OH2 TIP3 2672 45.881 65.273 13.827 1.00 0.00 SOLV O ATOM 10045 H1 TIP3 2672 46.837 65.403 13.817 1.00 0.00 SOLV H ATOM 10046 H2 TIP3 2672 45.539 66.087 13.405 1.00 0.00 SOLV H ATOM 10047 OH2 TIP3 2673 50.384 63.112 18.731 1.00 0.00 SOLV O ATOM 10048 H1 TIP3 2673 50.750 62.220 18.818 1.00 0.00 SOLV H ATOM 10049 H2 TIP3 2673 51.181 63.659 18.678 1.00 0.00 SOLV H ATOM 10050 OH2 TIP3 2674 51.880 65.837 16.932 1.00 0.00 SOLV O ATOM 10051 H1 TIP3 2674 51.566 66.608 16.405 1.00 0.00 SOLV H ATOM 10052 H2 TIP3 2674 52.855 65.987 16.888 1.00 0.00 SOLV H ATOM 10053 OH2 TIP3 2675 42.784 62.309 18.091 1.00 0.00 SOLV O ATOM 10054 H1 TIP3 2675 41.949 61.816 18.001 1.00 0.00 SOLV H ATOM 10055 H2 TIP3 2675 43.276 62.060 17.287 1.00 0.00 SOLV H ATOM 10056 OH2 TIP3 2676 45.324 57.261 14.290 1.00 0.00 SOLV O ATOM 10057 H1 TIP3 2676 45.056 58.185 14.101 1.00 0.00 SOLV H ATOM 10058 H2 TIP3 2676 44.608 56.753 13.860 1.00 0.00 SOLV H ATOM 10059 OH2 TIP3 2677 46.666 61.368 17.737 1.00 0.00 SOLV O ATOM 10060 H1 TIP3 2677 46.169 61.151 18.551 1.00 0.00 SOLV H ATOM 10061 H2 TIP3 2677 45.912 61.414 17.108 1.00 0.00 SOLV H ATOM 10062 OH2 TIP3 2678 49.206 60.718 16.771 1.00 0.00 SOLV O ATOM 10063 H1 TIP3 2678 48.339 60.804 17.220 1.00 0.00 SOLV H ATOM 10064 H2 TIP3 2678 49.742 60.260 17.448 1.00 0.00 SOLV H ATOM 10065 OH2 TIP3 2679 50.978 59.574 18.639 1.00 0.00 SOLV O ATOM 10066 H1 TIP3 2679 50.937 58.597 18.569 1.00 0.00 SOLV H ATOM 10067 H2 TIP3 2679 50.709 59.728 19.569 1.00 0.00 SOLV H ATOM 10068 OH2 TIP3 2680 40.662 60.486 17.875 1.00 0.00 SOLV O ATOM 10069 H1 TIP3 2680 40.669 59.580 17.518 1.00 0.00 SOLV H ATOM 10070 H2 TIP3 2680 40.720 60.319 18.834 1.00 0.00 SOLV H ATOM 10071 OH2 TIP3 2681 45.495 56.670 16.965 1.00 0.00 SOLV O ATOM 10072 H1 TIP3 2681 46.069 55.888 16.853 1.00 0.00 SOLV H ATOM 10073 H2 TIP3 2681 45.362 56.923 16.028 1.00 0.00 SOLV H ATOM 10074 OH2 TIP3 2682 46.013 58.366 19.072 1.00 0.00 SOLV O ATOM 10075 H1 TIP3 2682 45.866 57.847 18.253 1.00 0.00 SOLV H ATOM 10076 H2 TIP3 2682 45.371 59.102 18.976 1.00 0.00 SOLV H ATOM 10077 OH2 TIP3 2683 55.327 67.277 4.473 1.00 0.00 SOLV O ATOM 10078 H1 TIP3 2683 55.538 68.224 4.475 1.00 0.00 SOLV H ATOM 10079 H2 TIP3 2683 55.670 66.928 5.323 1.00 0.00 SOLV H ATOM 10080 OH2 TIP3 2684 56.038 65.692 6.605 1.00 0.00 SOLV O ATOM 10081 H1 TIP3 2684 55.196 65.269 6.885 1.00 0.00 SOLV H ATOM 10082 H2 TIP3 2684 56.565 65.705 7.432 1.00 0.00 SOLV H ATOM 10083 OH2 TIP3 2685 55.596 68.557 11.455 1.00 0.00 SOLV O ATOM 10084 H1 TIP3 2685 56.261 67.963 11.050 1.00 0.00 SOLV H ATOM 10085 H2 TIP3 2685 55.637 69.352 10.906 1.00 0.00 SOLV H ATOM 10086 OH2 TIP3 2686 56.198 65.603 2.597 1.00 0.00 SOLV O ATOM 10087 H1 TIP3 2686 55.648 65.877 1.830 1.00 0.00 SOLV H ATOM 10088 H2 TIP3 2686 55.860 66.238 3.272 1.00 0.00 SOLV H ATOM 10089 OH2 TIP3 2687 54.576 62.918 1.409 1.00 0.00 SOLV O ATOM 10090 H1 TIP3 2687 54.249 63.569 0.778 1.00 0.00 SOLV H ATOM 10091 H2 TIP3 2687 54.160 62.092 1.093 1.00 0.00 SOLV H ATOM 10092 OH2 TIP3 2688 53.678 64.367 7.118 1.00 0.00 SOLV O ATOM 10093 H1 TIP3 2688 53.608 63.465 6.760 1.00 0.00 SOLV H ATOM 10094 H2 TIP3 2688 53.235 64.288 7.992 1.00 0.00 SOLV H ATOM 10095 OH2 TIP3 2689 38.491 66.440 11.035 1.00 0.00 SOLV O ATOM 10096 H1 TIP3 2689 38.648 66.240 10.087 1.00 0.00 SOLV H ATOM 10097 H2 TIP3 2689 39.370 66.184 11.404 1.00 0.00 SOLV H ATOM 10098 OH2 TIP3 2690 54.531 66.296 16.874 1.00 0.00 SOLV O ATOM 10099 H1 TIP3 2690 55.142 65.537 16.760 1.00 0.00 SOLV H ATOM 10100 H2 TIP3 2690 55.089 67.044 16.571 1.00 0.00 SOLV H ATOM 10101 OH2 TIP3 2691 55.991 63.985 16.632 1.00 0.00 SOLV O ATOM 10102 H1 TIP3 2691 55.110 63.591 16.808 1.00 0.00 SOLV H ATOM 10103 H2 TIP3 2691 56.569 63.233 16.880 1.00 0.00 SOLV H ATOM 10104 OH2 TIP3 2692 53.469 60.622 0.465 1.00 0.00 SOLV O ATOM 10105 H1 TIP3 2692 53.978 59.977 0.994 1.00 0.00 SOLV H ATOM 10106 H2 TIP3 2692 52.553 60.394 0.700 1.00 0.00 SOLV H ATOM 10107 OH2 TIP3 2693 53.501 62.009 5.299 1.00 0.00 SOLV O ATOM 10108 H1 TIP3 2693 53.737 61.050 5.293 1.00 0.00 SOLV H ATOM 10109 H2 TIP3 2693 54.283 62.378 4.847 1.00 0.00 SOLV H ATOM 10110 OH2 TIP3 2694 53.789 62.270 10.759 1.00 0.00 SOLV O ATOM 10111 H1 TIP3 2694 54.751 62.414 10.598 1.00 0.00 SOLV H ATOM 10112 H2 TIP3 2694 53.769 62.449 11.721 1.00 0.00 SOLV H ATOM 10113 OH2 TIP3 2695 54.103 63.128 13.426 1.00 0.00 SOLV O ATOM 10114 H1 TIP3 2695 53.307 63.501 13.848 1.00 0.00 SOLV H ATOM 10115 H2 TIP3 2695 54.642 63.937 13.272 1.00 0.00 SOLV H ATOM 10116 OH2 TIP3 2696 38.356 61.559 16.838 1.00 0.00 SOLV O ATOM 10117 H1 TIP3 2696 39.221 61.413 17.282 1.00 0.00 SOLV H ATOM 10118 H2 TIP3 2696 37.918 60.706 17.039 1.00 0.00 SOLV H ATOM 10119 OH2 TIP3 2697 56.349 57.348 18.802 1.00 0.00 SOLV O ATOM 10120 H1 TIP3 2697 56.978 56.715 18.392 1.00 0.00 SOLV H ATOM 10121 H2 TIP3 2697 56.293 58.041 18.107 1.00 0.00 SOLV H ATOM 10122 OH2 TIP3 2698 54.029 59.314 5.345 1.00 0.00 SOLV O ATOM 10123 H1 TIP3 2698 54.237 58.881 6.199 1.00 0.00 SOLV H ATOM 10124 H2 TIP3 2698 53.343 58.704 5.000 1.00 0.00 SOLV H ATOM 10125 OH2 TIP3 2699 39.418 60.043 9.965 1.00 0.00 SOLV O ATOM 10126 H1 TIP3 2699 39.882 59.183 10.002 1.00 0.00 SOLV H ATOM 10127 H2 TIP3 2699 40.140 60.652 10.195 1.00 0.00 SOLV H ATOM 10128 OH2 TIP3 2700 37.597 62.882 10.788 1.00 0.00 SOLV O ATOM 10129 H1 TIP3 2700 38.348 62.960 10.166 1.00 0.00 SOLV H ATOM 10130 H2 TIP3 2700 37.838 63.509 11.480 1.00 0.00 SOLV H ATOM 10131 OH2 TIP3 2701 55.736 59.206 16.932 1.00 0.00 SOLV O ATOM 10132 H1 TIP3 2701 54.954 59.773 17.096 1.00 0.00 SOLV H ATOM 10133 H2 TIP3 2701 55.425 58.717 16.144 1.00 0.00 SOLV H ATOM 10134 OH2 TIP3 2702 55.623 59.233 1.963 1.00 0.00 SOLV O ATOM 10135 H1 TIP3 2702 55.925 59.338 1.027 1.00 0.00 SOLV H ATOM 10136 H2 TIP3 2702 56.332 59.730 2.413 1.00 0.00 SOLV H ATOM 10137 OH2 TIP3 2703 38.258 59.101 4.859 1.00 0.00 SOLV O ATOM 10138 H1 TIP3 2703 37.293 59.152 4.967 1.00 0.00 SOLV H ATOM 10139 H2 TIP3 2703 38.441 59.872 4.284 1.00 0.00 SOLV H ATOM 10140 OH2 TIP3 2704 38.177 57.757 13.209 1.00 0.00 SOLV O ATOM 10141 H1 TIP3 2704 37.520 57.770 13.925 1.00 0.00 SOLV H ATOM 10142 H2 TIP3 2704 37.810 58.445 12.617 1.00 0.00 SOLV H ATOM 10143 OH2 TIP3 2705 54.832 57.356 15.032 1.00 0.00 SOLV O ATOM 10144 H1 TIP3 2705 54.078 57.486 14.431 1.00 0.00 SOLV H ATOM 10145 H2 TIP3 2705 55.081 56.424 14.830 1.00 0.00 SOLV H ATOM 10146 OH2 TIP3 2706 48.152 58.805 9.407 1.00 0.00 SOLV O ATOM 10147 H1 TIP3 2706 47.560 58.063 9.621 1.00 0.00 SOLV H ATOM 10148 H2 TIP3 2706 48.956 58.347 9.083 1.00 0.00 SOLV H ATOM 10149 OH2 TIP3 2707 53.188 56.884 9.361 1.00 0.00 SOLV O ATOM 10150 H1 TIP3 2707 53.819 57.461 8.875 1.00 0.00 SOLV H ATOM 10151 H2 TIP3 2707 52.343 57.342 9.201 1.00 0.00 SOLV H ATOM 10152 OH2 TIP3 2708 54.933 58.049 7.618 1.00 0.00 SOLV O ATOM 10153 H1 TIP3 2708 55.670 57.456 7.358 1.00 0.00 SOLV H ATOM 10154 H2 TIP3 2708 55.438 58.877 7.794 1.00 0.00 SOLV H ATOM 10155 OH2 TIP3 2709 40.571 57.396 7.036 1.00 0.00 SOLV O ATOM 10156 H1 TIP3 2709 39.629 57.253 6.793 1.00 0.00 SOLV H ATOM 10157 H2 TIP3 2709 40.920 56.490 6.900 1.00 0.00 SOLV H ATOM 10158 OH2 TIP3 2710 39.313 57.169 3.049 1.00 0.00 SOLV O ATOM 10159 H1 TIP3 2710 40.005 57.731 2.626 1.00 0.00 SOLV H ATOM 10160 H2 TIP3 2710 38.964 57.796 3.719 1.00 0.00 SOLV H ATOM 10161 OH2 TIP3 2711 45.252 57.065 7.098 1.00 0.00 SOLV O ATOM 10162 H1 TIP3 2711 46.009 57.522 6.695 1.00 0.00 SOLV H ATOM 10163 H2 TIP3 2711 45.386 57.243 8.041 1.00 0.00 SOLV H ATOM 10164 OH2 TIP3 2712 50.512 57.560 8.534 1.00 0.00 SOLV O ATOM 10165 H1 TIP3 2712 50.773 57.298 7.641 1.00 0.00 SOLV H ATOM 10166 H2 TIP3 2712 50.211 56.698 8.910 1.00 0.00 SOLV H ATOM 10167 OH2 TIP3 2713 52.021 57.626 4.398 1.00 0.00 SOLV O ATOM 10168 H1 TIP3 2713 51.200 58.149 4.454 1.00 0.00 SOLV H ATOM 10169 H2 TIP3 2713 51.672 56.724 4.565 1.00 0.00 SOLV H ATOM 10170 OH2 TIP3 2714 41.350 58.618 1.941 1.00 0.00 SOLV O ATOM 10171 H1 TIP3 2714 41.586 58.689 1.010 1.00 0.00 SOLV H ATOM 10172 H2 TIP3 2714 42.087 59.091 2.373 1.00 0.00 SOLV H ATOM 10173 OH2 TIP3 2715 46.231 59.604 3.882 1.00 0.00 SOLV O ATOM 10174 H1 TIP3 2715 46.557 58.939 4.518 1.00 0.00 SOLV H ATOM 10175 H2 TIP3 2715 46.442 60.419 4.391 1.00 0.00 SOLV H ATOM 10176 OH2 TIP3 2716 40.523 57.921 16.542 1.00 0.00 SOLV O ATOM 10177 H1 TIP3 2716 39.919 57.223 16.865 1.00 0.00 SOLV H ATOM 10178 H2 TIP3 2716 41.328 57.709 17.063 1.00 0.00 SOLV H ATOM 10179 OH2 TIP3 2717 42.566 57.272 18.294 1.00 0.00 SOLV O ATOM 10180 H1 TIP3 2717 43.475 56.969 18.128 1.00 0.00 SOLV H ATOM 10181 H2 TIP3 2717 42.176 56.497 18.747 1.00 0.00 SOLV H ATOM 10182 OH2 TIP3 2718 51.164 56.772 18.429 1.00 0.00 SOLV O ATOM 10183 H1 TIP3 2718 51.025 56.283 19.270 1.00 0.00 SOLV H ATOM 10184 H2 TIP3 2718 52.120 56.620 18.275 1.00 0.00 SOLV H ATOM 10185 OH2 TIP3 2719 68.171 66.473 6.407 1.00 0.00 SOLV O ATOM 10186 H1 TIP3 2719 68.629 66.779 7.209 1.00 0.00 SOLV H ATOM 10187 H2 TIP3 2719 67.350 66.982 6.419 1.00 0.00 SOLV H ATOM 10188 OH2 TIP3 2720 59.640 65.469 12.109 1.00 0.00 SOLV O ATOM 10189 H1 TIP3 2720 59.583 64.602 12.557 1.00 0.00 SOLV H ATOM 10190 H2 TIP3 2720 60.403 65.841 12.579 1.00 0.00 SOLV H ATOM 10191 OH2 TIP3 2721 57.552 63.374 5.790 1.00 0.00 SOLV O ATOM 10192 H1 TIP3 2721 57.137 64.186 6.128 1.00 0.00 SOLV H ATOM 10193 H2 TIP3 2721 56.933 63.163 5.063 1.00 0.00 SOLV H ATOM 10194 OH2 TIP3 2722 58.015 65.647 8.483 1.00 0.00 SOLV O ATOM 10195 H1 TIP3 2722 58.238 64.713 8.707 1.00 0.00 SOLV H ATOM 10196 H2 TIP3 2722 58.893 65.998 8.275 1.00 0.00 SOLV H ATOM 10197 OH2 TIP3 2723 65.741 67.770 11.210 1.00 0.00 SOLV O ATOM 10198 H1 TIP3 2723 66.047 66.841 11.297 1.00 0.00 SOLV H ATOM 10199 H2 TIP3 2723 66.530 68.214 11.591 1.00 0.00 SOLV H ATOM 10200 OH2 TIP3 2724 68.236 61.533 11.489 1.00 0.00 SOLV O ATOM 10201 H1 TIP3 2724 69.011 61.440 10.933 1.00 0.00 SOLV H ATOM 10202 H2 TIP3 2724 68.158 62.492 11.606 1.00 0.00 SOLV H ATOM 10203 OH2 TIP3 2725 62.252 60.784 8.539 1.00 0.00 SOLV O ATOM 10204 H1 TIP3 2725 62.401 61.643 8.092 1.00 0.00 SOLV H ATOM 10205 H2 TIP3 2725 61.795 60.289 7.827 1.00 0.00 SOLV H ATOM 10206 OH2 TIP3 2726 58.777 63.165 9.193 1.00 0.00 SOLV O ATOM 10207 H1 TIP3 2726 59.426 62.741 9.790 1.00 0.00 SOLV H ATOM 10208 H2 TIP3 2726 59.066 62.776 8.337 1.00 0.00 SOLV H ATOM 10209 OH2 TIP3 2727 63.750 64.631 8.698 1.00 0.00 SOLV O ATOM 10210 H1 TIP3 2727 64.555 64.124 8.961 1.00 0.00 SOLV H ATOM 10211 H2 TIP3 2727 63.303 63.967 8.128 1.00 0.00 SOLV H ATOM 10212 OH2 TIP3 2728 61.008 59.795 12.582 1.00 0.00 SOLV O ATOM 10213 H1 TIP3 2728 60.753 60.427 11.883 1.00 0.00 SOLV H ATOM 10214 H2 TIP3 2728 60.290 59.951 13.231 1.00 0.00 SOLV H ATOM 10215 OH2 TIP3 2729 63.523 67.541 12.651 1.00 0.00 SOLV O ATOM 10216 H1 TIP3 2729 62.927 68.164 12.203 1.00 0.00 SOLV H ATOM 10217 H2 TIP3 2729 64.366 67.702 12.169 1.00 0.00 SOLV H ATOM 10218 OH2 TIP3 2730 60.579 61.571 10.516 1.00 0.00 SOLV O ATOM 10219 H1 TIP3 2730 61.190 62.136 11.047 1.00 0.00 SOLV H ATOM 10220 H2 TIP3 2730 61.214 61.236 9.839 1.00 0.00 SOLV H ATOM 10221 OH2 TIP3 2731 64.637 56.979 10.021 1.00 0.00 SOLV O ATOM 10222 H1 TIP3 2731 64.404 56.030 10.003 1.00 0.00 SOLV H ATOM 10223 H2 TIP3 2731 63.821 57.359 10.423 1.00 0.00 SOLV H ATOM 10224 OH2 TIP3 2732 67.412 65.733 3.584 1.00 0.00 SOLV O ATOM 10225 H1 TIP3 2732 66.626 66.321 3.572 1.00 0.00 SOLV H ATOM 10226 H2 TIP3 2732 68.003 66.278 4.127 1.00 0.00 SOLV H ATOM 10227 OH2 TIP3 2733 67.041 63.865 1.417 1.00 0.00 SOLV O ATOM 10228 H1 TIP3 2733 67.371 64.590 1.987 1.00 0.00 SOLV H ATOM 10229 H2 TIP3 2733 67.846 63.540 0.992 1.00 0.00 SOLV H ATOM 10230 OH2 TIP3 2734 62.143 66.551 7.589 1.00 0.00 SOLV O ATOM 10231 H1 TIP3 2734 61.889 66.191 6.710 1.00 0.00 SOLV H ATOM 10232 H2 TIP3 2734 62.723 65.840 7.944 1.00 0.00 SOLV H ATOM 10233 OH2 TIP3 2735 62.497 65.547 10.967 1.00 0.00 SOLV O ATOM 10234 H1 TIP3 2735 63.047 65.293 10.194 1.00 0.00 SOLV H ATOM 10235 H2 TIP3 2735 63.102 66.098 11.494 1.00 0.00 SOLV H ATOM 10236 OH2 TIP3 2736 60.595 65.816 14.958 1.00 0.00 SOLV O ATOM 10237 H1 TIP3 2736 60.730 66.519 15.635 1.00 0.00 SOLV H ATOM 10238 H2 TIP3 2736 59.616 65.741 14.989 1.00 0.00 SOLV H ATOM 10239 OH2 TIP3 2737 61.236 65.866 5.048 1.00 0.00 SOLV O ATOM 10240 H1 TIP3 2737 60.889 66.555 4.442 1.00 0.00 SOLV H ATOM 10241 H2 TIP3 2737 60.865 65.061 4.667 1.00 0.00 SOLV H ATOM 10242 OH2 TIP3 2738 57.106 67.939 13.883 1.00 0.00 SOLV O ATOM 10243 H1 TIP3 2738 56.953 67.972 12.929 1.00 0.00 SOLV H ATOM 10244 H2 TIP3 2738 57.552 67.081 14.010 1.00 0.00 SOLV H ATOM 10245 OH2 TIP3 2739 62.210 57.870 10.973 1.00 0.00 SOLV O ATOM 10246 H1 TIP3 2739 61.416 57.843 10.400 1.00 0.00 SOLV H ATOM 10247 H2 TIP3 2739 61.962 58.618 11.555 1.00 0.00 SOLV H ATOM 10248 OH2 TIP3 2740 66.880 57.345 14.315 1.00 0.00 SOLV O ATOM 10249 H1 TIP3 2740 66.935 57.162 15.262 1.00 0.00 SOLV H ATOM 10250 H2 TIP3 2740 65.902 57.327 14.199 1.00 0.00 SOLV H ATOM 10251 OH2 TIP3 2741 67.223 59.477 1.996 1.00 0.00 SOLV O ATOM 10252 H1 TIP3 2741 66.436 59.357 2.568 1.00 0.00 SOLV H ATOM 10253 H2 TIP3 2741 66.852 59.887 1.201 1.00 0.00 SOLV H ATOM 10254 OH2 TIP3 2742 62.222 63.078 12.052 1.00 0.00 SOLV O ATOM 10255 H1 TIP3 2742 61.596 63.185 12.795 1.00 0.00 SOLV H ATOM 10256 H2 TIP3 2742 62.288 63.997 11.713 1.00 0.00 SOLV H ATOM 10257 OH2 TIP3 2743 62.283 63.067 7.065 1.00 0.00 SOLV O ATOM 10258 H1 TIP3 2743 61.309 62.945 7.024 1.00 0.00 SOLV H ATOM 10259 H2 TIP3 2743 62.521 62.736 6.173 1.00 0.00 SOLV H ATOM 10260 OH2 TIP3 2744 67.481 63.551 5.499 1.00 0.00 SOLV O ATOM 10261 H1 TIP3 2744 66.993 64.329 5.806 1.00 0.00 SOLV H ATOM 10262 H2 TIP3 2744 67.641 63.831 4.577 1.00 0.00 SOLV H ATOM 10263 OH2 TIP3 2745 67.100 63.609 17.100 1.00 0.00 SOLV O ATOM 10264 H1 TIP3 2745 66.584 62.806 17.320 1.00 0.00 SOLV H ATOM 10265 H2 TIP3 2745 68.013 63.333 17.270 1.00 0.00 SOLV H ATOM 10266 OH2 TIP3 2746 68.443 62.942 8.571 1.00 0.00 SOLV O ATOM 10267 H1 TIP3 2746 68.234 63.597 7.890 1.00 0.00 SOLV H ATOM 10268 H2 TIP3 2746 68.635 62.149 8.042 1.00 0.00 SOLV H ATOM 10269 OH2 TIP3 2747 59.998 63.152 13.693 1.00 0.00 SOLV O ATOM 10270 H1 TIP3 2747 60.229 63.613 14.515 1.00 0.00 SOLV H ATOM 10271 H2 TIP3 2747 59.676 62.290 14.020 1.00 0.00 SOLV H ATOM 10272 OH2 TIP3 2748 62.974 60.252 0.159 1.00 0.00 SOLV O ATOM 10273 H1 TIP3 2748 62.825 60.187 1.121 1.00 0.00 SOLV H ATOM 10274 H2 TIP3 2748 62.920 61.215 0.020 1.00 0.00 SOLV H ATOM 10275 OH2 TIP3 2749 56.670 60.095 7.716 1.00 0.00 SOLV O ATOM 10276 H1 TIP3 2749 57.235 60.215 8.507 1.00 0.00 SOLV H ATOM 10277 H2 TIP3 2749 57.311 59.963 7.006 1.00 0.00 SOLV H ATOM 10278 OH2 TIP3 2750 57.536 61.043 3.003 1.00 0.00 SOLV O ATOM 10279 H1 TIP3 2750 58.316 61.350 2.509 1.00 0.00 SOLV H ATOM 10280 H2 TIP3 2750 57.074 61.882 3.194 1.00 0.00 SOLV H ATOM 10281 OH2 TIP3 2751 64.931 60.614 7.941 1.00 0.00 SOLV O ATOM 10282 H1 TIP3 2751 64.054 60.562 8.367 1.00 0.00 SOLV H ATOM 10283 H2 TIP3 2751 65.513 60.636 8.713 1.00 0.00 SOLV H ATOM 10284 OH2 TIP3 2752 59.744 62.192 6.820 1.00 0.00 SOLV O ATOM 10285 H1 TIP3 2752 58.954 62.514 6.321 1.00 0.00 SOLV H ATOM 10286 H2 TIP3 2752 59.913 61.312 6.431 1.00 0.00 SOLV H ATOM 10287 OH2 TIP3 2753 62.845 62.040 4.626 1.00 0.00 SOLV O ATOM 10288 H1 TIP3 2753 63.809 62.047 4.809 1.00 0.00 SOLV H ATOM 10289 H2 TIP3 2753 62.741 62.733 3.935 1.00 0.00 SOLV H ATOM 10290 OH2 TIP3 2754 62.198 63.674 2.583 1.00 0.00 SOLV O ATOM 10291 H1 TIP3 2754 61.416 63.295 2.154 1.00 0.00 SOLV H ATOM 10292 H2 TIP3 2754 62.798 63.812 1.824 1.00 0.00 SOLV H ATOM 10293 OH2 TIP3 2755 60.734 67.517 17.067 1.00 0.00 SOLV O ATOM 10294 H1 TIP3 2755 61.216 67.472 17.918 1.00 0.00 SOLV H ATOM 10295 H2 TIP3 2755 59.838 67.752 17.388 1.00 0.00 SOLV H ATOM 10296 OH2 TIP3 2756 65.868 63.187 9.523 1.00 0.00 SOLV O ATOM 10297 H1 TIP3 2756 66.780 62.901 9.338 1.00 0.00 SOLV H ATOM 10298 H2 TIP3 2756 66.008 63.610 10.396 1.00 0.00 SOLV H ATOM 10299 OH2 TIP3 2757 60.921 59.594 6.417 1.00 0.00 SOLV O ATOM 10300 H1 TIP3 2757 60.321 58.850 6.655 1.00 0.00 SOLV H ATOM 10301 H2 TIP3 2757 61.515 59.153 5.799 1.00 0.00 SOLV H ATOM 10302 OH2 TIP3 2758 64.556 61.595 12.400 1.00 0.00 SOLV O ATOM 10303 H1 TIP3 2758 63.909 62.285 12.166 1.00 0.00 SOLV H ATOM 10304 H2 TIP3 2758 65.171 62.065 12.997 1.00 0.00 SOLV H ATOM 10305 OH2 TIP3 2759 65.451 67.618 3.870 1.00 0.00 SOLV O ATOM 10306 H1 TIP3 2759 64.649 67.382 3.359 1.00 0.00 SOLV H ATOM 10307 H2 TIP3 2759 65.047 67.838 4.740 1.00 0.00 SOLV H ATOM 10308 OH2 TIP3 2760 66.953 67.812 15.634 1.00 0.00 SOLV O ATOM 10309 H1 TIP3 2760 67.194 67.350 16.462 1.00 0.00 SOLV H ATOM 10310 H2 TIP3 2760 66.009 67.958 15.764 1.00 0.00 SOLV H ATOM 10311 OH2 TIP3 2761 60.383 67.327 9.510 1.00 0.00 SOLV O ATOM 10312 H1 TIP3 2761 61.106 67.101 8.881 1.00 0.00 SOLV H ATOM 10313 H2 TIP3 2761 60.598 66.731 10.249 1.00 0.00 SOLV H ATOM 10314 OH2 TIP3 2762 57.880 65.450 15.042 1.00 0.00 SOLV O ATOM 10315 H1 TIP3 2762 57.742 65.188 15.974 1.00 0.00 SOLV H ATOM 10316 H2 TIP3 2762 57.097 65.048 14.633 1.00 0.00 SOLV H ATOM 10317 OH2 TIP3 2763 64.882 65.353 17.196 1.00 0.00 SOLV O ATOM 10318 H1 TIP3 2763 64.438 65.040 16.392 1.00 0.00 SOLV H ATOM 10319 H2 TIP3 2763 65.749 64.900 17.106 1.00 0.00 SOLV H ATOM 10320 OH2 TIP3 2764 58.776 65.408 1.773 1.00 0.00 SOLV O ATOM 10321 H1 TIP3 2764 59.155 66.222 2.137 1.00 0.00 SOLV H ATOM 10322 H2 TIP3 2764 57.834 65.491 2.046 1.00 0.00 SOLV H ATOM 10323 OH2 TIP3 2765 64.271 67.934 6.316 1.00 0.00 SOLV O ATOM 10324 H1 TIP3 2765 64.118 68.866 6.566 1.00 0.00 SOLV H ATOM 10325 H2 TIP3 2765 63.587 67.484 6.842 1.00 0.00 SOLV H ATOM 10326 OH2 TIP3 2766 68.113 68.256 12.440 1.00 0.00 SOLV O ATOM 10327 H1 TIP3 2766 67.926 67.591 13.118 1.00 0.00 SOLV H ATOM 10328 H2 TIP3 2766 68.770 67.779 11.875 1.00 0.00 SOLV H ATOM 10329 OH2 TIP3 2767 59.007 60.507 14.365 1.00 0.00 SOLV O ATOM 10330 H1 TIP3 2767 58.053 60.682 14.262 1.00 0.00 SOLV H ATOM 10331 H2 TIP3 2767 59.010 59.835 15.065 1.00 0.00 SOLV H ATOM 10332 OH2 TIP3 2768 60.334 67.687 3.086 1.00 0.00 SOLV O ATOM 10333 H1 TIP3 2768 59.648 68.379 2.996 1.00 0.00 SOLV H ATOM 10334 H2 TIP3 2768 60.874 67.836 2.270 1.00 0.00 SOLV H ATOM 10335 OH2 TIP3 2769 68.333 60.009 14.401 1.00 0.00 SOLV O ATOM 10336 H1 TIP3 2769 68.061 60.161 15.335 1.00 0.00 SOLV H ATOM 10337 H2 TIP3 2769 67.527 59.628 14.030 1.00 0.00 SOLV H ATOM 10338 OH2 TIP3 2770 68.195 60.329 4.878 1.00 0.00 SOLV O ATOM 10339 H1 TIP3 2770 68.172 60.850 4.067 1.00 0.00 SOLV H ATOM 10340 H2 TIP3 2770 68.543 60.973 5.528 1.00 0.00 SOLV H ATOM 10341 OH2 TIP3 2771 65.387 61.668 5.503 1.00 0.00 SOLV O ATOM 10342 H1 TIP3 2771 66.144 62.257 5.688 1.00 0.00 SOLV H ATOM 10343 H2 TIP3 2771 65.205 61.305 6.408 1.00 0.00 SOLV H ATOM 10344 OH2 TIP3 2772 66.267 62.226 14.483 1.00 0.00 SOLV O ATOM 10345 H1 TIP3 2772 66.537 63.096 14.804 1.00 0.00 SOLV H ATOM 10346 H2 TIP3 2772 67.050 61.924 13.997 1.00 0.00 SOLV H ATOM 10347 OH2 TIP3 2773 66.388 58.533 6.093 1.00 0.00 SOLV O ATOM 10348 H1 TIP3 2773 66.568 58.622 7.067 1.00 0.00 SOLV H ATOM 10349 H2 TIP3 2773 66.912 59.288 5.755 1.00 0.00 SOLV H ATOM 10350 OH2 TIP3 2774 62.462 59.944 2.914 1.00 0.00 SOLV O ATOM 10351 H1 TIP3 2774 62.354 60.687 3.551 1.00 0.00 SOLV H ATOM 10352 H2 TIP3 2774 63.331 59.606 3.212 1.00 0.00 SOLV H ATOM 10353 OH2 TIP3 2775 59.313 62.828 1.198 1.00 0.00 SOLV O ATOM 10354 H1 TIP3 2775 59.109 63.760 1.449 1.00 0.00 SOLV H ATOM 10355 H2 TIP3 2775 58.602 62.641 0.573 1.00 0.00 SOLV H ATOM 10356 OH2 TIP3 2776 59.718 57.691 9.782 1.00 0.00 SOLV O ATOM 10357 H1 TIP3 2776 59.633 57.573 8.813 1.00 0.00 SOLV H ATOM 10358 H2 TIP3 2776 59.355 56.849 10.122 1.00 0.00 SOLV H ATOM 10359 OH2 TIP3 2777 58.187 67.864 17.967 1.00 0.00 SOLV O ATOM 10360 H1 TIP3 2777 58.095 66.904 18.091 1.00 0.00 SOLV H ATOM 10361 H2 TIP3 2777 57.335 68.088 17.532 1.00 0.00 SOLV H ATOM 10362 OH2 TIP3 2778 61.853 68.041 0.946 1.00 0.00 SOLV O ATOM 10363 H1 TIP3 2778 62.588 67.599 1.425 1.00 0.00 SOLV H ATOM 10364 H2 TIP3 2778 62.293 68.702 0.390 1.00 0.00 SOLV H ATOM 10365 OH2 TIP3 2779 64.257 68.079 17.517 1.00 0.00 SOLV O ATOM 10366 H1 TIP3 2779 63.894 68.233 16.632 1.00 0.00 SOLV H ATOM 10367 H2 TIP3 2779 64.598 67.162 17.454 1.00 0.00 SOLV H ATOM 10368 OH2 TIP3 2780 58.777 65.037 17.963 1.00 0.00 SOLV O ATOM 10369 H1 TIP3 2780 59.648 64.656 17.801 1.00 0.00 SOLV H ATOM 10370 H2 TIP3 2780 58.816 65.217 18.926 1.00 0.00 SOLV H ATOM 10371 OH2 TIP3 2781 63.337 66.458 2.645 1.00 0.00 SOLV O ATOM 10372 H1 TIP3 2781 62.784 65.963 3.272 1.00 0.00 SOLV H ATOM 10373 H2 TIP3 2781 63.720 65.727 2.111 1.00 0.00 SOLV H ATOM 10374 OH2 TIP3 2782 62.650 64.065 15.095 1.00 0.00 SOLV O ATOM 10375 H1 TIP3 2782 61.992 64.790 15.031 1.00 0.00 SOLV H ATOM 10376 H2 TIP3 2782 63.431 64.480 14.662 1.00 0.00 SOLV H ATOM 10377 OH2 TIP3 2783 64.431 64.557 1.002 1.00 0.00 SOLV O ATOM 10378 H1 TIP3 2783 64.537 64.644 0.046 1.00 0.00 SOLV H ATOM 10379 H2 TIP3 2783 65.343 64.287 1.258 1.00 0.00 SOLV H ATOM 10380 OH2 TIP3 2784 67.655 66.610 18.169 1.00 0.00 SOLV O ATOM 10381 H1 TIP3 2784 68.377 66.942 18.715 1.00 0.00 SOLV H ATOM 10382 H2 TIP3 2784 67.343 65.849 18.695 1.00 0.00 SOLV H ATOM 10383 OH2 TIP3 2785 63.242 61.664 16.123 1.00 0.00 SOLV O ATOM 10384 H1 TIP3 2785 63.320 61.019 15.388 1.00 0.00 SOLV H ATOM 10385 H2 TIP3 2785 63.083 62.505 15.633 1.00 0.00 SOLV H ATOM 10386 OH2 TIP3 2786 63.345 59.834 14.007 1.00 0.00 SOLV O ATOM 10387 H1 TIP3 2786 63.902 60.400 13.419 1.00 0.00 SOLV H ATOM 10388 H2 TIP3 2786 62.496 59.869 13.518 1.00 0.00 SOLV H ATOM 10389 OH2 TIP3 2787 64.747 65.363 14.101 1.00 0.00 SOLV O ATOM 10390 H1 TIP3 2787 65.501 65.135 13.507 1.00 0.00 SOLV H ATOM 10391 H2 TIP3 2787 64.405 66.162 13.663 1.00 0.00 SOLV H ATOM 10392 OH2 TIP3 2788 61.593 62.348 18.284 1.00 0.00 SOLV O ATOM 10393 H1 TIP3 2788 60.798 61.797 18.127 1.00 0.00 SOLV H ATOM 10394 H2 TIP3 2788 62.089 62.218 17.448 1.00 0.00 SOLV H ATOM 10395 OH2 TIP3 2789 64.153 57.224 14.227 1.00 0.00 SOLV O ATOM 10396 H1 TIP3 2789 63.816 58.147 14.142 1.00 0.00 SOLV H ATOM 10397 H2 TIP3 2789 63.431 56.719 13.796 1.00 0.00 SOLV H ATOM 10398 OH2 TIP3 2790 65.471 61.430 17.648 1.00 0.00 SOLV O ATOM 10399 H1 TIP3 2790 64.911 61.131 18.395 1.00 0.00 SOLV H ATOM 10400 H2 TIP3 2790 64.763 61.538 16.971 1.00 0.00 SOLV H ATOM 10401 OH2 TIP3 2791 67.839 60.386 17.038 1.00 0.00 SOLV O ATOM 10402 H1 TIP3 2791 66.939 60.788 17.101 1.00 0.00 SOLV H ATOM 10403 H2 TIP3 2791 67.771 59.731 17.742 1.00 0.00 SOLV H ATOM 10404 OH2 TIP3 2792 59.538 60.474 17.955 1.00 0.00 SOLV O ATOM 10405 H1 TIP3 2792 59.528 59.633 17.460 1.00 0.00 SOLV H ATOM 10406 H2 TIP3 2792 59.653 60.145 18.871 1.00 0.00 SOLV H ATOM 10407 OH2 TIP3 2793 64.428 56.723 16.928 1.00 0.00 SOLV O ATOM 10408 H1 TIP3 2793 65.001 55.936 16.852 1.00 0.00 SOLV H ATOM 10409 H2 TIP3 2793 64.233 56.902 15.985 1.00 0.00 SOLV H ATOM 10410 OH2 TIP3 2794 64.950 58.329 19.082 1.00 0.00 SOLV O ATOM 10411 H1 TIP3 2794 64.760 57.808 18.269 1.00 0.00 SOLV H ATOM 10412 H2 TIP3 2794 64.299 59.060 19.010 1.00 0.00 SOLV H ATOM 10413 OH2 TIP3 2795 57.380 66.514 11.025 1.00 0.00 SOLV O ATOM 10414 H1 TIP3 2795 57.535 66.269 10.087 1.00 0.00 SOLV H ATOM 10415 H2 TIP3 2795 58.239 66.218 11.411 1.00 0.00 SOLV H ATOM 10416 OH2 TIP3 2796 57.210 61.550 16.954 1.00 0.00 SOLV O ATOM 10417 H1 TIP3 2796 58.092 61.350 17.335 1.00 0.00 SOLV H ATOM 10418 H2 TIP3 2796 56.760 60.693 17.101 1.00 0.00 SOLV H ATOM 10419 OH2 TIP3 2797 58.246 60.050 9.989 1.00 0.00 SOLV O ATOM 10420 H1 TIP3 2797 58.709 59.189 10.017 1.00 0.00 SOLV H ATOM 10421 H2 TIP3 2797 58.977 60.654 10.216 1.00 0.00 SOLV H ATOM 10422 OH2 TIP3 2798 56.451 62.887 10.782 1.00 0.00 SOLV O ATOM 10423 H1 TIP3 2798 57.211 62.953 10.170 1.00 0.00 SOLV H ATOM 10424 H2 TIP3 2798 56.723 63.457 11.510 1.00 0.00 SOLV H ATOM 10425 OH2 TIP3 2799 57.106 59.075 4.850 1.00 0.00 SOLV O ATOM 10426 H1 TIP3 2799 56.143 59.140 4.969 1.00 0.00 SOLV H ATOM 10427 H2 TIP3 2799 57.297 59.855 4.292 1.00 0.00 SOLV H ATOM 10428 OH2 TIP3 2800 57.047 57.829 13.269 1.00 0.00 SOLV O ATOM 10429 H1 TIP3 2800 56.349 57.799 13.944 1.00 0.00 SOLV H ATOM 10430 H2 TIP3 2800 56.664 58.474 12.641 1.00 0.00 SOLV H ATOM 10431 OH2 TIP3 2801 66.809 58.352 8.782 1.00 0.00 SOLV O ATOM 10432 H1 TIP3 2801 66.020 58.066 9.281 1.00 0.00 SOLV H ATOM 10433 H2 TIP3 2801 67.499 57.855 9.237 1.00 0.00 SOLV H ATOM 10434 OH2 TIP3 2802 59.419 57.400 7.030 1.00 0.00 SOLV O ATOM 10435 H1 TIP3 2802 58.481 57.240 6.785 1.00 0.00 SOLV H ATOM 10436 H2 TIP3 2802 59.781 56.495 6.917 1.00 0.00 SOLV H ATOM 10437 OH2 TIP3 2803 58.216 57.204 3.102 1.00 0.00 SOLV O ATOM 10438 H1 TIP3 2803 58.898 57.764 2.660 1.00 0.00 SOLV H ATOM 10439 H2 TIP3 2803 57.871 57.838 3.771 1.00 0.00 SOLV H ATOM 10440 OH2 TIP3 2804 64.060 57.104 7.138 1.00 0.00 SOLV O ATOM 10441 H1 TIP3 2804 64.782 57.659 6.798 1.00 0.00 SOLV H ATOM 10442 H2 TIP3 2804 64.190 57.189 8.098 1.00 0.00 SOLV H ATOM 10443 OH2 TIP3 2805 60.199 58.638 1.925 1.00 0.00 SOLV O ATOM 10444 H1 TIP3 2805 60.443 58.690 0.994 1.00 0.00 SOLV H ATOM 10445 H2 TIP3 2805 60.948 59.097 2.355 1.00 0.00 SOLV H ATOM 10446 OH2 TIP3 2806 65.079 59.497 3.835 1.00 0.00 SOLV O ATOM 10447 H1 TIP3 2806 65.327 58.878 4.549 1.00 0.00 SOLV H ATOM 10448 H2 TIP3 2806 65.144 60.339 4.340 1.00 0.00 SOLV H ATOM 10449 OH2 TIP3 2807 59.365 57.986 16.591 1.00 0.00 SOLV O ATOM 10450 H1 TIP3 2807 58.769 57.269 16.882 1.00 0.00 SOLV H ATOM 10451 H2 TIP3 2807 60.177 57.753 17.091 1.00 0.00 SOLV H ATOM 10452 OH2 TIP3 2808 61.431 57.281 18.310 1.00 0.00 SOLV O ATOM 10453 H1 TIP3 2808 62.320 56.955 18.095 1.00 0.00 SOLV H ATOM 10454 H2 TIP3 2808 61.034 56.498 18.744 1.00 0.00 SOLV H ATOM 10455 OH2 TIP3 2809 12.295 10.247 25.664 1.00 0.00 SOLV O ATOM 10456 H1 TIP3 2809 12.043 11.190 25.580 1.00 0.00 SOLV H ATOM 10457 H2 TIP3 2809 11.559 9.829 25.178 1.00 0.00 SOLV H ATOM 10458 OH2 TIP3 2810 10.977 9.397 29.675 1.00 0.00 SOLV O ATOM 10459 H1 TIP3 2810 11.142 8.883 30.495 1.00 0.00 SOLV H ATOM 10460 H2 TIP3 2810 10.545 8.707 29.135 1.00 0.00 SOLV H ATOM 10461 OH2 TIP3 2811 2.989 8.832 30.958 1.00 0.00 SOLV O ATOM 10462 H1 TIP3 2811 3.073 8.030 31.506 1.00 0.00 SOLV H ATOM 10463 H2 TIP3 2811 3.909 9.142 30.940 1.00 0.00 SOLV H ATOM 10464 OH2 TIP3 2812 14.437 12.145 27.566 1.00 0.00 SOLV O ATOM 10465 H1 TIP3 2812 14.267 11.195 27.647 1.00 0.00 SOLV H ATOM 10466 H2 TIP3 2812 14.229 12.446 28.452 1.00 0.00 SOLV H ATOM 10467 OH2 TIP3 2813 4.324 13.581 29.387 1.00 0.00 SOLV O ATOM 10468 H1 TIP3 2813 4.142 12.649 29.130 1.00 0.00 SOLV H ATOM 10469 H2 TIP3 2813 5.259 13.496 29.624 1.00 0.00 SOLV H ATOM 10470 OH2 TIP3 2814 1.195 7.180 24.885 1.00 0.00 SOLV O ATOM 10471 H1 TIP3 2814 1.113 8.117 25.092 1.00 0.00 SOLV H ATOM 10472 H2 TIP3 2814 0.253 6.935 24.819 1.00 0.00 SOLV H ATOM 10473 OH2 TIP3 2815 2.379 9.398 27.682 1.00 0.00 SOLV O ATOM 10474 H1 TIP3 2815 2.375 8.420 27.758 1.00 0.00 SOLV H ATOM 10475 H2 TIP3 2815 2.297 9.529 26.730 1.00 0.00 SOLV H ATOM 10476 OH2 TIP3 2816 11.876 17.530 28.161 1.00 0.00 SOLV O ATOM 10477 H1 TIP3 2816 12.419 16.839 27.720 1.00 0.00 SOLV H ATOM 10478 H2 TIP3 2816 11.207 17.011 28.620 1.00 0.00 SOLV H ATOM 10479 OH2 TIP3 2817 9.316 11.902 29.984 1.00 0.00 SOLV O ATOM 10480 H1 TIP3 2817 9.588 11.049 29.598 1.00 0.00 SOLV H ATOM 10481 H2 TIP3 2817 10.130 12.148 30.446 1.00 0.00 SOLV H ATOM 10482 OH2 TIP3 2818 17.993 3.409 30.635 1.00 0.00 SOLV O ATOM 10483 H1 TIP3 2818 18.214 4.077 31.320 1.00 0.00 SOLV H ATOM 10484 H2 TIP3 2818 18.528 3.717 29.885 1.00 0.00 SOLV H ATOM 10485 OH2 TIP3 2819 12.489 6.180 29.994 1.00 0.00 SOLV O ATOM 10486 H1 TIP3 2819 12.695 5.233 30.117 1.00 0.00 SOLV H ATOM 10487 H2 TIP3 2819 12.305 6.195 29.034 1.00 0.00 SOLV H ATOM 10488 OH2 TIP3 2820 5.831 4.221 27.367 1.00 0.00 SOLV O ATOM 10489 H1 TIP3 2820 5.946 5.070 26.890 1.00 0.00 SOLV H ATOM 10490 H2 TIP3 2820 5.387 3.694 26.671 1.00 0.00 SOLV H ATOM 10491 OH2 TIP3 2821 13.603 4.478 25.647 1.00 0.00 SOLV O ATOM 10492 H1 TIP3 2821 14.099 4.181 26.448 1.00 0.00 SOLV H ATOM 10493 H2 TIP3 2821 14.335 4.853 25.124 1.00 0.00 SOLV H ATOM 10494 OH2 TIP3 2822 2.384 6.657 27.926 1.00 0.00 SOLV O ATOM 10495 H1 TIP3 2822 2.874 6.122 28.576 1.00 0.00 SOLV H ATOM 10496 H2 TIP3 2822 2.685 6.236 27.093 1.00 0.00 SOLV H ATOM 10497 OH2 TIP3 2823 7.211 8.154 27.626 1.00 0.00 SOLV O ATOM 10498 H1 TIP3 2823 8.037 7.722 27.928 1.00 0.00 SOLV H ATOM 10499 H2 TIP3 2823 6.846 7.473 27.017 1.00 0.00 SOLV H ATOM 10500 OH2 TIP3 2824 18.463 5.015 32.826 1.00 0.00 SOLV O ATOM 10501 H1 TIP3 2824 17.645 5.545 32.730 1.00 0.00 SOLV H ATOM 10502 H2 TIP3 2824 18.519 4.917 33.787 1.00 0.00 SOLV H ATOM 10503 OH2 TIP3 2825 4.507 3.185 31.524 1.00 0.00 SOLV O ATOM 10504 H1 TIP3 2825 4.189 3.751 30.794 1.00 0.00 SOLV H ATOM 10505 H2 TIP3 2825 3.833 3.386 32.207 1.00 0.00 SOLV H ATOM 10506 OH2 TIP3 2826 11.759 12.814 24.789 1.00 0.00 SOLV O ATOM 10507 H1 TIP3 2826 11.502 12.834 23.844 1.00 0.00 SOLV H ATOM 10508 H2 TIP3 2826 11.287 13.616 25.117 1.00 0.00 SOLV H ATOM 10509 OH2 TIP3 2827 7.194 10.985 31.486 1.00 0.00 SOLV O ATOM 10510 H1 TIP3 2827 6.584 11.675 31.826 1.00 0.00 SOLV H ATOM 10511 H2 TIP3 2827 7.820 11.508 30.950 1.00 0.00 SOLV H ATOM 10512 OH2 TIP3 2828 15.027 3.961 27.863 1.00 0.00 SOLV O ATOM 10513 H1 TIP3 2828 14.936 3.224 28.481 1.00 0.00 SOLV H ATOM 10514 H2 TIP3 2828 15.449 4.632 28.443 1.00 0.00 SOLV H ATOM 10515 OH2 TIP3 2829 4.057 4.887 29.362 1.00 0.00 SOLV O ATOM 10516 H1 TIP3 2829 4.663 5.425 29.920 1.00 0.00 SOLV H ATOM 10517 H2 TIP3 2829 4.696 4.576 28.678 1.00 0.00 SOLV H ATOM 10518 OH2 TIP3 2830 5.567 13.012 32.537 1.00 0.00 SOLV O ATOM 10519 H1 TIP3 2830 5.507 13.977 32.378 1.00 0.00 SOLV H ATOM 10520 H2 TIP3 2830 4.671 12.862 32.898 1.00 0.00 SOLV H ATOM 10521 OH2 TIP3 2831 1.508 12.456 23.044 1.00 0.00 SOLV O ATOM 10522 H1 TIP3 2831 0.917 12.959 22.463 1.00 0.00 SOLV H ATOM 10523 H2 TIP3 2831 1.579 13.039 23.816 1.00 0.00 SOLV H ATOM 10524 OH2 TIP3 2832 15.593 2.655 31.844 1.00 0.00 SOLV O ATOM 10525 H1 TIP3 2832 14.808 2.730 31.281 1.00 0.00 SOLV H ATOM 10526 H2 TIP3 2832 16.318 2.863 31.214 1.00 0.00 SOLV H ATOM 10527 OH2 TIP3 2833 8.059 0.978 28.579 1.00 0.00 SOLV O ATOM 10528 H1 TIP3 2833 8.494 0.245 29.063 1.00 0.00 SOLV H ATOM 10529 H2 TIP3 2833 7.225 1.069 29.088 1.00 0.00 SOLV H ATOM 10530 OH2 TIP3 2834 13.389 15.814 26.684 1.00 0.00 SOLV O ATOM 10531 H1 TIP3 2834 13.731 14.994 26.265 1.00 0.00 SOLV H ATOM 10532 H2 TIP3 2834 14.140 16.424 26.503 1.00 0.00 SOLV H ATOM 10533 OH2 TIP3 2835 14.302 13.614 25.266 1.00 0.00 SOLV O ATOM 10534 H1 TIP3 2835 13.409 13.247 25.086 1.00 0.00 SOLV H ATOM 10535 H2 TIP3 2835 14.588 13.018 25.989 1.00 0.00 SOLV H ATOM 10536 OH2 TIP3 2836 16.155 12.550 33.356 1.00 0.00 SOLV O ATOM 10537 H1 TIP3 2836 15.984 11.744 32.821 1.00 0.00 SOLV H ATOM 10538 H2 TIP3 2836 16.895 12.928 32.864 1.00 0.00 SOLV H ATOM 10539 OH2 TIP3 2837 10.687 9.330 23.609 1.00 0.00 SOLV O ATOM 10540 H1 TIP3 2837 9.991 9.981 23.382 1.00 0.00 SOLV H ATOM 10541 H2 TIP3 2837 11.184 9.283 22.776 1.00 0.00 SOLV H ATOM 10542 OH2 TIP3 2838 10.732 7.853 20.312 1.00 0.00 SOLV O ATOM 10543 H1 TIP3 2838 11.413 8.131 20.948 1.00 0.00 SOLV H ATOM 10544 H2 TIP3 2838 11.271 7.278 19.733 1.00 0.00 SOLV H ATOM 10545 OH2 TIP3 2839 17.939 8.849 31.840 1.00 0.00 SOLV O ATOM 10546 H1 TIP3 2839 17.210 9.495 31.762 1.00 0.00 SOLV H ATOM 10547 H2 TIP3 2839 18.521 9.136 31.107 1.00 0.00 SOLV H ATOM 10548 OH2 TIP3 2840 14.408 9.506 24.008 1.00 0.00 SOLV O ATOM 10549 H1 TIP3 2840 13.702 9.821 24.624 1.00 0.00 SOLV H ATOM 10550 H2 TIP3 2840 14.938 8.992 24.660 1.00 0.00 SOLV H ATOM 10551 OH2 TIP3 2841 13.887 7.586 33.643 1.00 0.00 SOLV O ATOM 10552 H1 TIP3 2841 13.836 8.257 34.350 1.00 0.00 SOLV H ATOM 10553 H2 TIP3 2841 13.194 7.893 33.027 1.00 0.00 SOLV H ATOM 10554 OH2 TIP3 2842 5.764 10.149 26.344 1.00 0.00 SOLV O ATOM 10555 H1 TIP3 2842 5.449 9.757 25.501 1.00 0.00 SOLV H ATOM 10556 H2 TIP3 2842 6.275 9.408 26.735 1.00 0.00 SOLV H ATOM 10557 OH2 TIP3 2843 7.228 13.687 29.012 1.00 0.00 SOLV O ATOM 10558 H1 TIP3 2843 7.085 13.527 28.064 1.00 0.00 SOLV H ATOM 10559 H2 TIP3 2843 7.923 13.039 29.236 1.00 0.00 SOLV H ATOM 10560 OH2 TIP3 2844 6.143 8.744 30.169 1.00 0.00 SOLV O ATOM 10561 H1 TIP3 2844 6.461 8.703 29.244 1.00 0.00 SOLV H ATOM 10562 H2 TIP3 2844 6.464 9.618 30.464 1.00 0.00 SOLV H ATOM 10563 OH2 TIP3 2845 7.237 13.391 34.666 1.00 0.00 SOLV O ATOM 10564 H1 TIP3 2845 6.583 13.956 35.129 1.00 0.00 SOLV H ATOM 10565 H2 TIP3 2845 6.692 13.098 33.904 1.00 0.00 SOLV H ATOM 10566 OH2 TIP3 2846 12.867 8.744 21.887 1.00 0.00 SOLV O ATOM 10567 H1 TIP3 2846 13.333 9.110 22.672 1.00 0.00 SOLV H ATOM 10568 H2 TIP3 2846 13.400 9.109 21.151 1.00 0.00 SOLV H ATOM 10569 OH2 TIP3 2847 3.945 9.280 34.124 1.00 0.00 SOLV O ATOM 10570 H1 TIP3 2847 4.002 10.083 34.676 1.00 0.00 SOLV H ATOM 10571 H2 TIP3 2847 2.993 9.265 33.903 1.00 0.00 SOLV H ATOM 10572 OH2 TIP3 2848 10.739 15.231 25.459 1.00 0.00 SOLV O ATOM 10573 H1 TIP3 2848 11.359 15.807 25.924 1.00 0.00 SOLV H ATOM 10574 H2 TIP3 2848 10.275 15.836 24.863 1.00 0.00 SOLV H ATOM 10575 OH2 TIP3 2849 5.144 15.156 35.422 1.00 0.00 SOLV O ATOM 10576 H1 TIP3 2849 5.060 15.422 34.487 1.00 0.00 SOLV H ATOM 10577 H2 TIP3 2849 4.206 15.044 35.677 1.00 0.00 SOLV H ATOM 10578 OH2 TIP3 2850 16.595 0.739 21.676 1.00 0.00 SOLV O ATOM 10579 H1 TIP3 2850 15.757 1.071 22.041 1.00 0.00 SOLV H ATOM 10580 H2 TIP3 2850 17.038 1.565 21.405 1.00 0.00 SOLV H ATOM 10581 OH2 TIP3 2851 4.824 9.246 23.836 1.00 0.00 SOLV O ATOM 10582 H1 TIP3 2851 4.337 9.883 23.269 1.00 0.00 SOLV H ATOM 10583 H2 TIP3 2851 4.356 8.422 23.660 1.00 0.00 SOLV H ATOM 10584 OH2 TIP3 2852 17.850 14.742 20.443 1.00 0.00 SOLV O ATOM 10585 H1 TIP3 2852 18.121 15.687 20.458 1.00 0.00 SOLV H ATOM 10586 H2 TIP3 2852 18.729 14.306 20.373 1.00 0.00 SOLV H ATOM 10587 OH2 TIP3 2853 1.397 11.566 32.988 1.00 0.00 SOLV O ATOM 10588 H1 TIP3 2853 0.969 11.571 32.117 1.00 0.00 SOLV H ATOM 10589 H2 TIP3 2853 1.262 10.637 33.262 1.00 0.00 SOLV H ATOM 10590 OH2 TIP3 2854 0.977 14.516 28.867 1.00 0.00 SOLV O ATOM 10591 H1 TIP3 2854 1.547 13.795 29.153 1.00 0.00 SOLV H ATOM 10592 H2 TIP3 2854 0.311 14.548 29.582 1.00 0.00 SOLV H ATOM 10593 OH2 TIP3 2855 18.763 15.117 35.498 1.00 0.00 SOLV O ATOM 10594 H1 TIP3 2855 18.595 14.155 35.521 1.00 0.00 SOLV H ATOM 10595 H2 TIP3 2855 17.886 15.454 35.791 1.00 0.00 SOLV H ATOM 10596 OH2 TIP3 2856 9.577 14.617 33.987 1.00 0.00 SOLV O ATOM 10597 H1 TIP3 2856 9.593 15.414 34.564 1.00 0.00 SOLV H ATOM 10598 H2 TIP3 2856 8.727 14.209 34.276 1.00 0.00 SOLV H ATOM 10599 OH2 TIP3 2857 10.478 18.183 23.993 1.00 0.00 SOLV O ATOM 10600 H1 TIP3 2857 10.162 18.225 23.073 1.00 0.00 SOLV H ATOM 10601 H2 TIP3 2857 10.110 19.002 24.373 1.00 0.00 SOLV H ATOM 10602 OH2 TIP3 2858 3.873 17.069 25.906 1.00 0.00 SOLV O ATOM 10603 H1 TIP3 2858 3.997 16.724 26.818 1.00 0.00 SOLV H ATOM 10604 H2 TIP3 2858 3.309 16.365 25.520 1.00 0.00 SOLV H ATOM 10605 OH2 TIP3 2859 13.171 17.636 20.745 1.00 0.00 SOLV O ATOM 10606 H1 TIP3 2859 13.674 16.879 20.372 1.00 0.00 SOLV H ATOM 10607 H2 TIP3 2859 13.301 17.508 21.707 1.00 0.00 SOLV H ATOM 10608 OH2 TIP3 2860 13.053 17.476 23.518 1.00 0.00 SOLV O ATOM 10609 H1 TIP3 2860 12.109 17.677 23.716 1.00 0.00 SOLV H ATOM 10610 H2 TIP3 2860 13.239 16.777 24.159 1.00 0.00 SOLV H ATOM 10611 OH2 TIP3 2861 15.791 6.425 35.726 1.00 0.00 SOLV O ATOM 10612 H1 TIP3 2861 15.083 6.655 35.107 1.00 0.00 SOLV H ATOM 10613 H2 TIP3 2861 15.902 5.470 35.540 1.00 0.00 SOLV H ATOM 10614 OH2 TIP3 2862 3.183 13.316 33.941 1.00 0.00 SOLV O ATOM 10615 H1 TIP3 2862 3.500 12.738 34.664 1.00 0.00 SOLV H ATOM 10616 H2 TIP3 2862 2.448 12.757 33.584 1.00 0.00 SOLV H ATOM 10617 OH2 TIP3 2863 5.692 1.088 30.117 1.00 0.00 SOLV O ATOM 10618 H1 TIP3 2863 4.934 1.002 29.509 1.00 0.00 SOLV H ATOM 10619 H2 TIP3 2863 5.342 1.801 30.692 1.00 0.00 SOLV H ATOM 10620 OH2 TIP3 2864 10.377 1.638 33.271 1.00 0.00 SOLV O ATOM 10621 H1 TIP3 2864 10.653 0.712 33.324 1.00 0.00 SOLV H ATOM 10622 H2 TIP3 2864 9.410 1.544 33.374 1.00 0.00 SOLV H ATOM 10623 OH2 TIP3 2865 13.481 4.896 34.006 1.00 0.00 SOLV O ATOM 10624 H1 TIP3 2865 12.791 4.794 34.705 1.00 0.00 SOLV H ATOM 10625 H2 TIP3 2865 13.478 5.858 33.834 1.00 0.00 SOLV H ATOM 10626 OH2 TIP3 2866 14.640 9.689 20.003 1.00 0.00 SOLV O ATOM 10627 H1 TIP3 2866 13.926 9.616 19.341 1.00 0.00 SOLV H ATOM 10628 H2 TIP3 2866 15.380 9.853 19.387 1.00 0.00 SOLV H ATOM 10629 OH2 TIP3 2867 9.977 3.534 20.584 1.00 0.00 SOLV O ATOM 10630 H1 TIP3 2867 9.370 3.306 21.317 1.00 0.00 SOLV H ATOM 10631 H2 TIP3 2867 9.641 2.936 19.884 1.00 0.00 SOLV H ATOM 10632 OH2 TIP3 2868 5.745 6.260 31.077 1.00 0.00 SOLV O ATOM 10633 H1 TIP3 2868 5.040 6.409 31.744 1.00 0.00 SOLV H ATOM 10634 H2 TIP3 2868 5.894 7.185 30.764 1.00 0.00 SOLV H ATOM 10635 OH2 TIP3 2869 5.926 6.500 25.872 1.00 0.00 SOLV O ATOM 10636 H1 TIP3 2869 4.957 6.341 25.794 1.00 0.00 SOLV H ATOM 10637 H2 TIP3 2869 6.194 6.257 24.959 1.00 0.00 SOLV H ATOM 10638 OH2 TIP3 2870 11.283 6.847 24.737 1.00 0.00 SOLV O ATOM 10639 H1 TIP3 2870 11.056 7.711 24.333 1.00 0.00 SOLV H ATOM 10640 H2 TIP3 2870 11.946 6.497 24.105 1.00 0.00 SOLV H ATOM 10641 OH2 TIP3 2871 10.435 7.080 35.906 1.00 0.00 SOLV O ATOM 10642 H1 TIP3 2871 9.930 6.310 36.256 1.00 0.00 SOLV H ATOM 10643 H2 TIP3 2871 11.277 6.955 36.389 1.00 0.00 SOLV H ATOM 10644 OH2 TIP3 2872 12.244 6.321 27.267 1.00 0.00 SOLV O ATOM 10645 H1 TIP3 2872 11.783 6.735 26.507 1.00 0.00 SOLV H ATOM 10646 H2 TIP3 2872 12.633 5.558 26.792 1.00 0.00 SOLV H ATOM 10647 OH2 TIP3 2873 3.530 6.567 32.637 1.00 0.00 SOLV O ATOM 10648 H1 TIP3 2873 3.621 7.043 33.475 1.00 0.00 SOLV H ATOM 10649 H2 TIP3 2873 3.125 5.720 32.926 1.00 0.00 SOLV H ATOM 10650 OH2 TIP3 2874 6.766 3.815 19.269 1.00 0.00 SOLV O ATOM 10651 H1 TIP3 2874 6.409 3.734 20.176 1.00 0.00 SOLV H ATOM 10652 H2 TIP3 2874 6.242 4.578 18.946 1.00 0.00 SOLV H ATOM 10653 OH2 TIP3 2875 0.588 3.950 26.279 1.00 0.00 SOLV O ATOM 10654 H1 TIP3 2875 0.963 3.816 27.177 1.00 0.00 SOLV H ATOM 10655 H2 TIP3 2875 0.817 3.114 25.857 1.00 0.00 SOLV H ATOM 10656 OH2 TIP3 2876 1.574 4.361 22.427 1.00 0.00 SOLV O ATOM 10657 H1 TIP3 2876 2.060 3.942 21.696 1.00 0.00 SOLV H ATOM 10658 H2 TIP3 2876 1.576 5.280 22.092 1.00 0.00 SOLV H ATOM 10659 OH2 TIP3 2877 11.548 7.883 31.857 1.00 0.00 SOLV O ATOM 10660 H1 TIP3 2877 11.930 7.236 31.213 1.00 0.00 SOLV H ATOM 10661 H2 TIP3 2877 10.947 7.284 32.354 1.00 0.00 SOLV H ATOM 10662 OH2 TIP3 2878 8.638 4.324 26.937 1.00 0.00 SOLV O ATOM 10663 H1 TIP3 2878 7.729 4.152 27.249 1.00 0.00 SOLV H ATOM 10664 H2 TIP3 2878 9.171 3.781 27.553 1.00 0.00 SOLV H ATOM 10665 OH2 TIP3 2879 3.405 5.577 25.581 1.00 0.00 SOLV O ATOM 10666 H1 TIP3 2879 2.590 5.873 25.117 1.00 0.00 SOLV H ATOM 10667 H2 TIP3 2879 3.556 4.681 25.223 1.00 0.00 SOLV H ATOM 10668 OH2 TIP3 2880 6.443 5.650 23.347 1.00 0.00 SOLV O ATOM 10669 H1 TIP3 2880 7.418 5.617 23.403 1.00 0.00 SOLV H ATOM 10670 H2 TIP3 2880 6.281 6.099 22.485 1.00 0.00 SOLV H ATOM 10671 OH2 TIP3 2881 12.669 3.378 29.992 1.00 0.00 SOLV O ATOM 10672 H1 TIP3 2881 12.201 3.479 30.849 1.00 0.00 SOLV H ATOM 10673 H2 TIP3 2881 11.947 3.068 29.421 1.00 0.00 SOLV H ATOM 10674 OH2 TIP3 2882 5.854 6.746 20.936 1.00 0.00 SOLV O ATOM 10675 H1 TIP3 2882 5.365 6.470 20.136 1.00 0.00 SOLV H ATOM 10676 H2 TIP3 2882 6.625 7.186 20.517 1.00 0.00 SOLV H ATOM 10677 OH2 TIP3 2883 16.128 18.874 36.608 1.00 0.00 SOLV O ATOM 10678 H1 TIP3 2883 16.391 19.209 35.729 1.00 0.00 SOLV H ATOM 10679 H2 TIP3 2883 16.919 19.094 37.142 1.00 0.00 SOLV H ATOM 10680 OH2 TIP3 2884 3.967 11.559 35.929 1.00 0.00 SOLV O ATOM 10681 H1 TIP3 2884 4.566 11.506 36.704 1.00 0.00 SOLV H ATOM 10682 H2 TIP3 2884 3.093 11.557 36.374 1.00 0.00 SOLV H ATOM 10683 OH2 TIP3 2885 9.453 6.931 28.788 1.00 0.00 SOLV O ATOM 10684 H1 TIP3 2885 10.027 6.328 28.295 1.00 0.00 SOLV H ATOM 10685 H2 TIP3 2885 9.081 6.330 29.469 1.00 0.00 SOLV H ATOM 10686 OH2 TIP3 2886 4.555 2.954 25.249 1.00 0.00 SOLV O ATOM 10687 H1 TIP3 2886 4.008 2.193 25.533 1.00 0.00 SOLV H ATOM 10688 H2 TIP3 2886 5.367 2.503 24.964 1.00 0.00 SOLV H ATOM 10689 OH2 TIP3 2887 8.377 5.514 31.023 1.00 0.00 SOLV O ATOM 10690 H1 TIP3 2887 7.455 5.838 31.106 1.00 0.00 SOLV H ATOM 10691 H2 TIP3 2887 8.802 5.841 31.840 1.00 0.00 SOLV H ATOM 10692 OH2 TIP3 2888 8.792 11.277 22.877 1.00 0.00 SOLV O ATOM 10693 H1 TIP3 2888 8.045 10.838 22.412 1.00 0.00 SOLV H ATOM 10694 H2 TIP3 2888 8.368 11.492 23.745 1.00 0.00 SOLV H ATOM 10695 OH2 TIP3 2889 15.938 10.714 31.356 1.00 0.00 SOLV O ATOM 10696 H1 TIP3 2889 16.522 11.246 30.769 1.00 0.00 SOLV H ATOM 10697 H2 TIP3 2889 15.210 10.451 30.754 1.00 0.00 SOLV H ATOM 10698 OH2 TIP3 2890 12.552 4.036 21.083 1.00 0.00 SOLV O ATOM 10699 H1 TIP3 2890 11.584 3.970 20.888 1.00 0.00 SOLV H ATOM 10700 H2 TIP3 2890 12.624 4.898 21.531 1.00 0.00 SOLV H ATOM 10701 OH2 TIP3 2891 10.733 11.982 33.933 1.00 0.00 SOLV O ATOM 10702 H1 TIP3 2891 10.523 11.282 34.570 1.00 0.00 SOLV H ATOM 10703 H2 TIP3 2891 10.083 12.668 34.166 1.00 0.00 SOLV H ATOM 10704 OH2 TIP3 2892 13.198 6.118 22.883 1.00 0.00 SOLV O ATOM 10705 H1 TIP3 2892 14.113 5.952 23.180 1.00 0.00 SOLV H ATOM 10706 H2 TIP3 2892 13.261 6.981 22.435 1.00 0.00 SOLV H ATOM 10707 OH2 TIP3 2893 4.400 10.974 28.681 1.00 0.00 SOLV O ATOM 10708 H1 TIP3 2893 4.849 10.719 27.851 1.00 0.00 SOLV H ATOM 10709 H2 TIP3 2893 3.625 10.376 28.647 1.00 0.00 SOLV H ATOM 10710 OH2 TIP3 2894 10.917 12.816 22.155 1.00 0.00 SOLV O ATOM 10711 H1 TIP3 2894 10.521 13.722 22.176 1.00 0.00 SOLV H ATOM 10712 H2 TIP3 2894 10.125 12.265 22.358 1.00 0.00 SOLV H ATOM 10713 OH2 TIP3 2895 1.161 8.942 33.797 1.00 0.00 SOLV O ATOM 10714 H1 TIP3 2895 0.884 8.594 34.659 1.00 0.00 SOLV H ATOM 10715 H2 TIP3 2895 0.497 8.508 33.204 1.00 0.00 SOLV H ATOM 10716 OH2 TIP3 2896 8.271 8.851 36.080 1.00 0.00 SOLV O ATOM 10717 H1 TIP3 2896 7.668 8.449 35.431 1.00 0.00 SOLV H ATOM 10718 H2 TIP3 2896 9.089 8.332 35.917 1.00 0.00 SOLV H ATOM 10719 OH2 TIP3 2897 12.446 14.605 33.807 1.00 0.00 SOLV O ATOM 10720 H1 TIP3 2897 11.487 14.474 33.953 1.00 0.00 SOLV H ATOM 10721 H2 TIP3 2897 12.716 14.650 34.761 1.00 0.00 SOLV H ATOM 10722 OH2 TIP3 2898 17.935 6.321 22.484 1.00 0.00 SOLV O ATOM 10723 H1 TIP3 2898 17.464 6.288 21.615 1.00 0.00 SOLV H ATOM 10724 H2 TIP3 2898 18.641 6.945 22.267 1.00 0.00 SOLV H ATOM 10725 OH2 TIP3 2899 18.343 12.281 35.219 1.00 0.00 SOLV O ATOM 10726 H1 TIP3 2899 17.402 12.414 34.990 1.00 0.00 SOLV H ATOM 10727 H2 TIP3 2899 18.742 12.106 34.336 1.00 0.00 SOLV H ATOM 10728 OH2 TIP3 2900 16.529 15.230 22.868 1.00 0.00 SOLV O ATOM 10729 H1 TIP3 2900 16.087 14.456 23.239 1.00 0.00 SOLV H ATOM 10730 H2 TIP3 2900 16.950 14.892 22.055 1.00 0.00 SOLV H ATOM 10731 OH2 TIP3 2901 13.795 10.042 29.617 1.00 0.00 SOLV O ATOM 10732 H1 TIP3 2901 12.841 9.853 29.531 1.00 0.00 SOLV H ATOM 10733 H2 TIP3 2901 14.160 9.235 29.191 1.00 0.00 SOLV H ATOM 10734 OH2 TIP3 2902 6.448 14.319 26.013 1.00 0.00 SOLV O ATOM 10735 H1 TIP3 2902 6.587 15.215 25.644 1.00 0.00 SOLV H ATOM 10736 H2 TIP3 2902 5.495 14.213 25.902 1.00 0.00 SOLV H ATOM 10737 OH2 TIP3 2903 2.164 9.038 20.567 1.00 0.00 SOLV O ATOM 10738 H1 TIP3 2903 2.831 9.546 21.082 1.00 0.00 SOLV H ATOM 10739 H2 TIP3 2903 1.391 9.603 20.703 1.00 0.00 SOLV H ATOM 10740 OH2 TIP3 2904 7.550 11.917 25.175 1.00 0.00 SOLV O ATOM 10741 H1 TIP3 2904 7.257 12.790 25.505 1.00 0.00 SOLV H ATOM 10742 H2 TIP3 2904 6.942 11.316 25.652 1.00 0.00 SOLV H ATOM 10743 OH2 TIP3 2905 8.294 16.113 31.871 1.00 0.00 SOLV O ATOM 10744 H1 TIP3 2905 8.938 16.839 31.764 1.00 0.00 SOLV H ATOM 10745 H2 TIP3 2905 8.765 15.524 32.488 1.00 0.00 SOLV H ATOM 10746 OH2 TIP3 2906 6.436 17.025 24.951 1.00 0.00 SOLV O ATOM 10747 H1 TIP3 2906 5.502 17.169 25.219 1.00 0.00 SOLV H ATOM 10748 H2 TIP3 2906 6.848 17.856 25.278 1.00 0.00 SOLV H ATOM 10749 OH2 TIP3 2907 11.896 12.229 31.520 1.00 0.00 SOLV O ATOM 10750 H1 TIP3 2907 11.411 12.047 32.365 1.00 0.00 SOLV H ATOM 10751 H2 TIP3 2907 12.207 11.336 31.295 1.00 0.00 SOLV H ATOM 10752 OH2 TIP3 2908 13.972 12.984 20.823 1.00 0.00 SOLV O ATOM 10753 H1 TIP3 2908 13.388 13.083 21.588 1.00 0.00 SOLV H ATOM 10754 H2 TIP3 2908 13.284 12.879 20.127 1.00 0.00 SOLV H ATOM 10755 OH2 TIP3 2909 14.346 16.859 34.027 1.00 0.00 SOLV O ATOM 10756 H1 TIP3 2909 13.684 16.196 33.770 1.00 0.00 SOLV H ATOM 10757 H2 TIP3 2909 14.572 17.286 33.178 1.00 0.00 SOLV H ATOM 10758 OH2 TIP3 2910 18.528 17.400 20.858 1.00 0.00 SOLV O ATOM 10759 H1 TIP3 2910 19.114 18.113 20.557 1.00 0.00 SOLV H ATOM 10760 H2 TIP3 2910 17.748 17.929 21.125 1.00 0.00 SOLV H ATOM 10761 OH2 TIP3 2911 2.611 3.966 33.357 1.00 0.00 SOLV O ATOM 10762 H1 TIP3 2911 1.814 3.579 32.931 1.00 0.00 SOLV H ATOM 10763 H2 TIP3 2911 2.719 3.361 34.118 1.00 0.00 SOLV H ATOM 10764 OH2 TIP3 2912 2.104 15.532 31.826 1.00 0.00 SOLV O ATOM 10765 H1 TIP3 2912 2.672 14.760 32.014 1.00 0.00 SOLV H ATOM 10766 H2 TIP3 2912 2.423 16.174 32.478 1.00 0.00 SOLV H ATOM 10767 OH2 TIP3 2913 8.176 14.118 19.153 1.00 0.00 SOLV O ATOM 10768 H1 TIP3 2913 8.114 13.260 18.686 1.00 0.00 SOLV H ATOM 10769 H2 TIP3 2913 7.653 13.936 19.959 1.00 0.00 SOLV H ATOM 10770 OH2 TIP3 2914 6.852 13.841 21.569 1.00 0.00 SOLV O ATOM 10771 H1 TIP3 2914 7.316 13.316 22.234 1.00 0.00 SOLV H ATOM 10772 H2 TIP3 2914 6.976 14.757 21.907 1.00 0.00 SOLV H ATOM 10773 OH2 TIP3 2915 3.465 10.891 22.091 1.00 0.00 SOLV O ATOM 10774 H1 TIP3 2915 2.737 11.390 22.535 1.00 0.00 SOLV H ATOM 10775 H2 TIP3 2915 3.867 11.641 21.607 1.00 0.00 SOLV H ATOM 10776 OH2 TIP3 2916 11.516 3.933 32.400 1.00 0.00 SOLV O ATOM 10777 H1 TIP3 2916 12.308 4.076 32.958 1.00 0.00 SOLV H ATOM 10778 H2 TIP3 2916 11.133 3.110 32.788 1.00 0.00 SOLV H ATOM 10779 OH2 TIP3 2917 12.083 2.990 23.802 1.00 0.00 SOLV O ATOM 10780 H1 TIP3 2917 12.223 3.372 22.916 1.00 0.00 SOLV H ATOM 10781 H2 TIP3 2917 12.517 3.652 24.381 1.00 0.00 SOLV H ATOM 10782 OH2 TIP3 2918 9.860 15.292 22.257 1.00 0.00 SOLV O ATOM 10783 H1 TIP3 2918 8.941 15.593 22.411 1.00 0.00 SOLV H ATOM 10784 H2 TIP3 2918 10.196 16.050 21.753 1.00 0.00 SOLV H ATOM 10785 OH2 TIP3 2919 9.049 5.220 24.357 1.00 0.00 SOLV O ATOM 10786 H1 TIP3 2919 9.816 5.807 24.513 1.00 0.00 SOLV H ATOM 10787 H2 TIP3 2919 8.867 4.923 25.277 1.00 0.00 SOLV H ATOM 10788 OH2 TIP3 2920 9.991 6.156 33.257 1.00 0.00 SOLV O ATOM 10789 H1 TIP3 2920 10.139 6.332 34.209 1.00 0.00 SOLV H ATOM 10790 H2 TIP3 2920 10.415 5.281 33.136 1.00 0.00 SOLV H ATOM 10791 OH2 TIP3 2921 9.801 2.240 25.081 1.00 0.00 SOLV O ATOM 10792 H1 TIP3 2921 10.038 2.753 25.867 1.00 0.00 SOLV H ATOM 10793 H2 TIP3 2921 10.621 2.342 24.551 1.00 0.00 SOLV H ATOM 10794 OH2 TIP3 2922 7.371 16.360 22.484 1.00 0.00 SOLV O ATOM 10795 H1 TIP3 2922 7.322 17.218 22.007 1.00 0.00 SOLV H ATOM 10796 H2 TIP3 2922 6.997 16.613 23.359 1.00 0.00 SOLV H ATOM 10797 OH2 TIP3 2923 5.861 3.377 21.863 1.00 0.00 SOLV O ATOM 10798 H1 TIP3 2923 5.773 4.134 22.478 1.00 0.00 SOLV H ATOM 10799 H2 TIP3 2923 6.749 3.064 22.143 1.00 0.00 SOLV H ATOM 10800 OH2 TIP3 2924 15.979 3.962 34.357 1.00 0.00 SOLV O ATOM 10801 H1 TIP3 2924 15.024 4.180 34.292 1.00 0.00 SOLV H ATOM 10802 H2 TIP3 2924 16.079 3.504 33.504 1.00 0.00 SOLV H ATOM 10803 OH2 TIP3 2925 14.561 7.726 28.277 1.00 0.00 SOLV O ATOM 10804 H1 TIP3 2925 13.732 7.251 28.075 1.00 0.00 SOLV H ATOM 10805 H2 TIP3 2925 15.051 7.046 28.792 1.00 0.00 SOLV H ATOM 10806 OH2 TIP3 2926 4.240 13.201 20.783 1.00 0.00 SOLV O ATOM 10807 H1 TIP3 2926 5.019 13.644 21.175 1.00 0.00 SOLV H ATOM 10808 H2 TIP3 2926 4.695 12.680 20.087 1.00 0.00 SOLV H ATOM 10809 OH2 TIP3 2927 1.803 6.270 20.301 1.00 0.00 SOLV O ATOM 10810 H1 TIP3 2927 2.072 7.205 20.362 1.00 0.00 SOLV H ATOM 10811 H2 TIP3 2927 1.611 6.171 19.345 1.00 0.00 SOLV H ATOM 10812 OH2 TIP3 2928 3.164 1.076 28.708 1.00 0.00 SOLV O ATOM 10813 H1 TIP3 2928 3.121 1.079 27.733 1.00 0.00 SOLV H ATOM 10814 H2 TIP3 2928 3.378 0.126 28.860 1.00 0.00 SOLV H ATOM 10815 OH2 TIP3 2929 2.145 15.128 24.738 1.00 0.00 SOLV O ATOM 10816 H1 TIP3 2929 1.404 15.299 25.337 1.00 0.00 SOLV H ATOM 10817 H2 TIP3 2929 1.950 15.731 23.983 1.00 0.00 SOLV H ATOM 10818 OH2 TIP3 2930 1.842 17.860 36.304 1.00 0.00 SOLV O ATOM 10819 H1 TIP3 2930 2.308 17.913 37.165 1.00 0.00 SOLV H ATOM 10820 H2 TIP3 2930 1.920 16.899 36.157 1.00 0.00 SOLV H ATOM 10821 OH2 TIP3 2931 5.798 16.379 37.802 1.00 0.00 SOLV O ATOM 10822 H1 TIP3 2931 6.617 15.935 38.060 1.00 0.00 SOLV H ATOM 10823 H2 TIP3 2931 5.614 15.942 36.945 1.00 0.00 SOLV H ATOM 10824 OH2 TIP3 2932 10.181 15.986 19.147 1.00 0.00 SOLV O ATOM 10825 H1 TIP3 2932 9.503 15.269 19.163 1.00 0.00 SOLV H ATOM 10826 H2 TIP3 2932 10.947 15.523 18.748 1.00 0.00 SOLV H ATOM 10827 OH2 TIP3 2933 12.706 14.664 36.408 1.00 0.00 SOLV O ATOM 10828 H1 TIP3 2933 12.253 13.970 36.940 1.00 0.00 SOLV H ATOM 10829 H2 TIP3 2933 13.310 15.052 37.071 1.00 0.00 SOLV H ATOM 10830 OH2 TIP3 2934 14.588 15.645 19.437 1.00 0.00 SOLV O ATOM 10831 H1 TIP3 2934 15.065 15.089 20.069 1.00 0.00 SOLV H ATOM 10832 H2 TIP3 2934 15.236 15.720 18.702 1.00 0.00 SOLV H ATOM 10833 OH2 TIP3 2935 1.405 11.522 36.938 1.00 0.00 SOLV O ATOM 10834 H1 TIP3 2935 1.481 10.554 36.788 1.00 0.00 SOLV H ATOM 10835 H2 TIP3 2935 0.446 11.637 36.838 1.00 0.00 SOLV H ATOM 10836 OH2 TIP3 2936 5.637 11.416 19.345 1.00 0.00 SOLV O ATOM 10837 H1 TIP3 2936 5.973 10.921 20.119 1.00 0.00 SOLV H ATOM 10838 H2 TIP3 2936 6.463 11.503 18.821 1.00 0.00 SOLV H ATOM 10839 OH2 TIP3 2937 7.886 11.607 36.703 1.00 0.00 SOLV O ATOM 10840 H1 TIP3 2937 7.685 12.036 35.848 1.00 0.00 SOLV H ATOM 10841 H2 TIP3 2937 8.077 10.679 36.445 1.00 0.00 SOLV H ATOM 10842 OH2 TIP3 2938 11.715 12.763 19.431 1.00 0.00 SOLV O ATOM 10843 H1 TIP3 2938 11.204 12.730 20.266 1.00 0.00 SOLV H ATOM 10844 H2 TIP3 2938 11.536 11.865 19.065 1.00 0.00 SOLV H ATOM 10845 OH2 TIP3 2939 13.653 11.394 34.179 1.00 0.00 SOLV O ATOM 10846 H1 TIP3 2939 14.397 12.014 34.093 1.00 0.00 SOLV H ATOM 10847 H2 TIP3 2939 12.867 11.960 34.148 1.00 0.00 SOLV H ATOM 10848 OH2 TIP3 2940 1.742 8.845 36.731 1.00 0.00 SOLV O ATOM 10849 H1 TIP3 2940 2.170 8.052 36.379 1.00 0.00 SOLV H ATOM 10850 H2 TIP3 2940 2.055 8.838 37.662 1.00 0.00 SOLV H ATOM 10851 OH2 TIP3 2941 6.767 9.931 21.580 1.00 0.00 SOLV O ATOM 10852 H1 TIP3 2941 6.233 9.434 22.224 1.00 0.00 SOLV H ATOM 10853 H2 TIP3 2941 7.181 9.211 21.056 1.00 0.00 SOLV H ATOM 10854 OH2 TIP3 2942 6.125 7.609 34.113 1.00 0.00 SOLV O ATOM 10855 H1 TIP3 2942 5.408 8.274 34.027 1.00 0.00 SOLV H ATOM 10856 H2 TIP3 2942 6.846 8.031 33.592 1.00 0.00 SOLV H ATOM 10857 OH2 TIP3 2943 7.983 8.081 19.906 1.00 0.00 SOLV O ATOM 10858 H1 TIP3 2943 8.020 8.361 18.967 1.00 0.00 SOLV H ATOM 10859 H2 TIP3 2943 8.925 7.851 20.064 1.00 0.00 SOLV H ATOM 10860 OH2 TIP3 2944 11.289 10.244 37.403 1.00 0.00 SOLV O ATOM 10861 H1 TIP3 2944 12.083 9.751 37.159 1.00 0.00 SOLV H ATOM 10862 H2 TIP3 2944 10.832 9.582 37.958 1.00 0.00 SOLV H ATOM 10863 OH2 TIP3 2945 17.363 10.264 19.748 1.00 0.00 SOLV O ATOM 10864 H1 TIP3 2945 17.520 9.890 18.857 1.00 0.00 SOLV H ATOM 10865 H2 TIP3 2945 17.193 11.200 19.472 1.00 0.00 SOLV H ATOM 10866 OH2 TIP3 2946 6.670 5.130 35.000 1.00 0.00 SOLV O ATOM 10867 H1 TIP3 2946 6.767 4.537 34.226 1.00 0.00 SOLV H ATOM 10868 H2 TIP3 2946 6.487 5.994 34.561 1.00 0.00 SOLV H ATOM 10869 OH2 TIP3 2947 6.956 3.527 32.724 1.00 0.00 SOLV O ATOM 10870 H1 TIP3 2947 7.504 3.968 32.051 1.00 0.00 SOLV H ATOM 10871 H2 TIP3 2947 6.086 3.481 32.271 1.00 0.00 SOLV H ATOM 10872 OH2 TIP3 2948 8.151 8.839 32.919 1.00 0.00 SOLV O ATOM 10873 H1 TIP3 2948 9.035 8.658 32.585 1.00 0.00 SOLV H ATOM 10874 H2 TIP3 2948 7.832 9.567 32.342 1.00 0.00 SOLV H ATOM 10875 OH2 TIP3 2949 12.638 6.613 37.612 1.00 0.00 SOLV O ATOM 10876 H1 TIP3 2949 12.775 5.690 37.889 1.00 0.00 SOLV H ATOM 10877 H2 TIP3 2949 13.550 6.931 37.538 1.00 0.00 SOLV H ATOM 10878 OH2 TIP3 2950 14.190 9.392 35.892 1.00 0.00 SOLV O ATOM 10879 H1 TIP3 2950 13.893 10.147 35.334 1.00 0.00 SOLV H ATOM 10880 H2 TIP3 2950 15.162 9.484 35.788 1.00 0.00 SOLV H ATOM 10881 OH2 TIP3 2951 5.096 5.815 37.231 1.00 0.00 SOLV O ATOM 10882 H1 TIP3 2951 4.293 5.283 37.047 1.00 0.00 SOLV H ATOM 10883 H2 TIP3 2951 5.568 5.751 36.376 1.00 0.00 SOLV H ATOM 10884 OH2 TIP3 2952 7.691 0.933 33.466 1.00 0.00 SOLV O ATOM 10885 H1 TIP3 2952 7.366 1.840 33.276 1.00 0.00 SOLV H ATOM 10886 H2 TIP3 2952 7.129 0.390 32.899 1.00 0.00 SOLV H ATOM 10887 OH2 TIP3 2953 8.942 4.926 36.597 1.00 0.00 SOLV O ATOM 10888 H1 TIP3 2953 8.633 4.431 37.372 1.00 0.00 SOLV H ATOM 10889 H2 TIP3 2953 8.129 4.923 36.047 1.00 0.00 SOLV H ATOM 10890 OH2 TIP3 2954 11.578 4.266 35.783 1.00 0.00 SOLV O ATOM 10891 H1 TIP3 2954 10.669 4.231 36.137 1.00 0.00 SOLV H ATOM 10892 H2 TIP3 2954 12.043 3.608 36.342 1.00 0.00 SOLV H ATOM 10893 OH2 TIP3 2955 13.151 2.741 37.519 1.00 0.00 SOLV O ATOM 10894 H1 TIP3 2955 13.051 1.833 37.822 1.00 0.00 SOLV H ATOM 10895 H2 TIP3 2955 13.004 3.248 38.349 1.00 0.00 SOLV H ATOM 10896 OH2 TIP3 2956 2.970 4.095 36.892 1.00 0.00 SOLV O ATOM 10897 H1 TIP3 2956 2.883 3.314 36.310 1.00 0.00 SOLV H ATOM 10898 H2 TIP3 2956 3.043 3.670 37.771 1.00 0.00 SOLV H ATOM 10899 OH2 TIP3 2957 8.708 1.992 37.603 1.00 0.00 SOLV O ATOM 10900 H1 TIP3 2957 8.427 1.081 37.425 1.00 0.00 SOLV H ATOM 10901 H2 TIP3 2957 7.867 2.477 37.716 1.00 0.00 SOLV H ATOM 10902 OH2 TIP3 2958 7.852 18.776 21.176 1.00 0.00 SOLV O ATOM 10903 H1 TIP3 2958 8.784 18.494 21.118 1.00 0.00 SOLV H ATOM 10904 H2 TIP3 2958 7.844 19.459 20.478 1.00 0.00 SOLV H ATOM 10905 OH2 TIP3 2959 1.612 13.619 20.049 1.00 0.00 SOLV O ATOM 10906 H1 TIP3 2959 2.513 13.515 20.418 1.00 0.00 SOLV H ATOM 10907 H2 TIP3 2959 1.501 12.792 19.546 1.00 0.00 SOLV H ATOM 10908 OH2 TIP3 2960 1.118 16.680 27.278 1.00 0.00 SOLV O ATOM 10909 H1 TIP3 2960 1.063 15.812 27.745 1.00 0.00 SOLV H ATOM 10910 H2 TIP3 2960 1.673 17.168 27.915 1.00 0.00 SOLV H ATOM 10911 OH2 TIP3 2961 18.444 17.366 30.805 1.00 0.00 SOLV O ATOM 10912 H1 TIP3 2961 18.674 18.157 31.331 1.00 0.00 SOLV H ATOM 10913 H2 TIP3 2961 18.963 17.529 30.006 1.00 0.00 SOLV H ATOM 10914 OH2 TIP3 2962 17.928 17.244 33.566 1.00 0.00 SOLV O ATOM 10915 H1 TIP3 2962 17.989 16.875 32.663 1.00 0.00 SOLV H ATOM 10916 H2 TIP3 2962 18.414 16.590 34.096 1.00 0.00 SOLV H ATOM 10917 OH2 TIP3 2963 16.361 12.812 37.915 1.00 0.00 SOLV O ATOM 10918 H1 TIP3 2963 15.547 12.897 38.451 1.00 0.00 SOLV H ATOM 10919 H2 TIP3 2963 16.916 13.520 38.302 1.00 0.00 SOLV H ATOM 10920 OH2 TIP3 2964 18.218 9.005 25.020 1.00 0.00 SOLV O ATOM 10921 H1 TIP3 2964 17.358 8.747 25.406 1.00 0.00 SOLV H ATOM 10922 H2 TIP3 2964 18.710 9.312 25.804 1.00 0.00 SOLV H ATOM 10923 OH2 TIP3 2965 17.985 12.127 30.191 1.00 0.00 SOLV O ATOM 10924 H1 TIP3 2965 18.573 11.406 29.877 1.00 0.00 SOLV H ATOM 10925 H2 TIP3 2965 18.430 12.915 29.820 1.00 0.00 SOLV H ATOM 10926 OH2 TIP3 2966 16.797 6.506 20.022 1.00 0.00 SOLV O ATOM 10927 H1 TIP3 2966 16.926 6.790 19.106 1.00 0.00 SOLV H ATOM 10928 H2 TIP3 2966 16.432 5.606 19.844 1.00 0.00 SOLV H ATOM 10929 OH2 TIP3 2967 15.781 7.940 25.795 1.00 0.00 SOLV O ATOM 10930 H1 TIP3 2967 15.797 7.007 25.519 1.00 0.00 SOLV H ATOM 10931 H2 TIP3 2967 15.421 7.878 26.708 1.00 0.00 SOLV H ATOM 10932 OH2 TIP3 2968 1.110 10.773 30.158 1.00 0.00 SOLV O ATOM 10933 H1 TIP3 2968 1.112 10.431 29.246 1.00 0.00 SOLV H ATOM 10934 H2 TIP3 2968 1.778 10.171 30.550 1.00 0.00 SOLV H ATOM 10935 OH2 TIP3 2969 16.919 9.803 35.617 1.00 0.00 SOLV O ATOM 10936 H1 TIP3 2969 17.435 8.967 35.530 1.00 0.00 SOLV H ATOM 10937 H2 TIP3 2969 17.572 10.460 35.332 1.00 0.00 SOLV H ATOM 10938 OH2 TIP3 2970 18.278 7.478 35.581 1.00 0.00 SOLV O ATOM 10939 H1 TIP3 2970 17.395 7.053 35.651 1.00 0.00 SOLV H ATOM 10940 H2 TIP3 2970 18.843 6.701 35.798 1.00 0.00 SOLV H ATOM 10941 OH2 TIP3 2971 15.894 4.075 19.293 1.00 0.00 SOLV O ATOM 10942 H1 TIP3 2971 16.529 3.495 19.758 1.00 0.00 SOLV H ATOM 10943 H2 TIP3 2971 15.218 3.455 18.968 1.00 0.00 SOLV H ATOM 10944 OH2 TIP3 2972 15.775 5.499 24.108 1.00 0.00 SOLV O ATOM 10945 H1 TIP3 2972 16.040 4.550 24.188 1.00 0.00 SOLV H ATOM 10946 H2 TIP3 2972 16.530 5.816 23.571 1.00 0.00 SOLV H ATOM 10947 OH2 TIP3 2973 16.095 5.819 29.545 1.00 0.00 SOLV O ATOM 10948 H1 TIP3 2973 17.063 5.955 29.424 1.00 0.00 SOLV H ATOM 10949 H2 TIP3 2973 16.046 5.903 30.519 1.00 0.00 SOLV H ATOM 10950 OH2 TIP3 2974 16.319 6.637 32.229 1.00 0.00 SOLV O ATOM 10951 H1 TIP3 2974 15.537 6.995 32.685 1.00 0.00 SOLV H ATOM 10952 H2 TIP3 2974 16.898 7.426 32.151 1.00 0.00 SOLV H ATOM 10953 OH2 TIP3 2975 0.937 5.889 36.449 1.00 0.00 SOLV O ATOM 10954 H1 TIP3 2975 1.721 5.295 36.466 1.00 0.00 SOLV H ATOM 10955 H2 TIP3 2975 0.242 5.201 36.324 1.00 0.00 SOLV H ATOM 10956 OH2 TIP3 2976 18.805 0.984 37.988 1.00 0.00 SOLV O ATOM 10957 H1 TIP3 2976 19.503 0.334 37.805 1.00 0.00 SOLV H ATOM 10958 H2 TIP3 2976 18.589 1.338 37.106 1.00 0.00 SOLV H ATOM 10959 OH2 TIP3 2977 16.429 2.863 24.240 1.00 0.00 SOLV O ATOM 10960 H1 TIP3 2977 16.563 2.343 25.059 1.00 0.00 SOLV H ATOM 10961 H2 TIP3 2977 15.690 2.363 23.823 1.00 0.00 SOLV H ATOM 10962 OH2 TIP3 2978 1.627 3.401 28.753 1.00 0.00 SOLV O ATOM 10963 H1 TIP3 2978 2.066 2.541 28.918 1.00 0.00 SOLV H ATOM 10964 H2 TIP3 2978 2.320 4.016 29.052 1.00 0.00 SOLV H ATOM 10965 OH2 TIP3 2979 0.362 8.016 29.545 1.00 0.00 SOLV O ATOM 10966 H1 TIP3 2979 0.726 7.526 28.791 1.00 0.00 SOLV H ATOM 10967 H2 TIP3 2979 1.149 8.090 30.110 1.00 0.00 SOLV H ATOM 10968 OH2 TIP3 2980 18.072 2.661 35.771 1.00 0.00 SOLV O ATOM 10969 H1 TIP3 2980 17.235 3.137 35.924 1.00 0.00 SOLV H ATOM 10970 H2 TIP3 2980 17.958 2.402 34.844 1.00 0.00 SOLV H ATOM 10971 OH2 TIP3 2981 17.957 2.914 20.769 1.00 0.00 SOLV O ATOM 10972 H1 TIP3 2981 18.330 2.206 20.190 1.00 0.00 SOLV H ATOM 10973 H2 TIP3 2981 18.769 3.313 21.138 1.00 0.00 SOLV H ATOM 10974 OH2 TIP3 2982 1.125 1.961 23.997 1.00 0.00 SOLV O ATOM 10975 H1 TIP3 2982 0.159 2.073 23.988 1.00 0.00 SOLV H ATOM 10976 H2 TIP3 2982 1.398 2.800 23.571 1.00 0.00 SOLV H ATOM 10977 OH2 TIP3 2983 15.258 17.707 26.046 1.00 0.00 SOLV O ATOM 10978 H1 TIP3 2983 15.811 17.657 25.237 1.00 0.00 SOLV H ATOM 10979 H2 TIP3 2983 15.882 18.131 26.645 1.00 0.00 SOLV H ATOM 10980 OH2 TIP3 2984 0.718 2.231 32.216 1.00 0.00 SOLV O ATOM 10981 H1 TIP3 2984 0.567 1.451 32.774 1.00 0.00 SOLV H ATOM 10982 H2 TIP3 2984 0.316 1.935 31.389 1.00 0.00 SOLV H ATOM 10983 OH2 TIP3 2985 2.390 14.987 36.417 1.00 0.00 SOLV O ATOM 10984 H1 TIP3 2985 2.158 14.221 35.871 1.00 0.00 SOLV H ATOM 10985 H2 TIP3 2985 2.080 14.680 37.301 1.00 0.00 SOLV H ATOM 10986 OH2 TIP3 2986 5.626 15.771 32.599 1.00 0.00 SOLV O ATOM 10987 H1 TIP3 2986 5.376 16.683 32.340 1.00 0.00 SOLV H ATOM 10988 H2 TIP3 2986 6.580 15.824 32.389 1.00 0.00 SOLV H ATOM 10989 OH2 TIP3 2987 9.772 16.952 35.435 1.00 0.00 SOLV O ATOM 10990 H1 TIP3 2987 9.896 16.639 36.361 1.00 0.00 SOLV H ATOM 10991 H2 TIP3 2987 10.611 17.437 35.294 1.00 0.00 SOLV H ATOM 10992 OH2 TIP3 2988 12.132 18.356 34.980 1.00 0.00 SOLV O ATOM 10993 H1 TIP3 2988 12.926 17.840 34.734 1.00 0.00 SOLV H ATOM 10994 H2 TIP3 2988 12.438 18.699 35.849 1.00 0.00 SOLV H ATOM 10995 OH2 TIP3 2989 16.589 0.693 33.442 1.00 0.00 SOLV O ATOM 10996 H1 TIP3 2989 16.250 1.450 32.915 1.00 0.00 SOLV H ATOM 10997 H2 TIP3 2989 16.650 0.008 32.762 1.00 0.00 SOLV H ATOM 10998 OH2 TIP3 2990 2.912 18.717 32.781 1.00 0.00 SOLV O ATOM 10999 H1 TIP3 2990 2.100 19.098 32.376 1.00 0.00 SOLV H ATOM 11000 H2 TIP3 2990 2.826 19.050 33.686 1.00 0.00 SOLV H ATOM 11001 OH2 TIP3 2991 5.482 18.407 31.893 1.00 0.00 SOLV O ATOM 11002 H1 TIP3 2991 4.544 18.562 32.161 1.00 0.00 SOLV H ATOM 11003 H2 TIP3 2991 5.509 18.873 31.034 1.00 0.00 SOLV H ATOM 11004 OH2 TIP3 2992 10.145 18.121 31.046 1.00 0.00 SOLV O ATOM 11005 H1 TIP3 2992 9.559 18.447 30.335 1.00 0.00 SOLV H ATOM 11006 H2 TIP3 2992 10.200 18.905 31.621 1.00 0.00 SOLV H ATOM 11007 OH2 TIP3 2993 12.600 16.735 31.425 1.00 0.00 SOLV O ATOM 11008 H1 TIP3 2993 11.792 17.286 31.301 1.00 0.00 SOLV H ATOM 11009 H2 TIP3 2993 13.288 17.437 31.374 1.00 0.00 SOLV H ATOM 11010 OH2 TIP3 2994 14.776 18.553 31.664 1.00 0.00 SOLV O ATOM 11011 H1 TIP3 2994 14.788 19.534 31.704 1.00 0.00 SOLV H ATOM 11012 H2 TIP3 2994 15.403 18.423 30.935 1.00 0.00 SOLV H ATOM 11013 OH2 TIP3 2995 2.475 17.494 29.540 1.00 0.00 SOLV O ATOM 11014 H1 TIP3 2995 2.088 16.944 30.249 1.00 0.00 SOLV H ATOM 11015 H2 TIP3 2995 3.215 16.923 29.250 1.00 0.00 SOLV H ATOM 11016 OH2 TIP3 2996 4.487 16.070 28.393 1.00 0.00 SOLV O ATOM 11017 H1 TIP3 2996 4.313 15.149 28.711 1.00 0.00 SOLV H ATOM 11018 H2 TIP3 2996 5.417 16.186 28.660 1.00 0.00 SOLV H ATOM 11019 OH2 TIP3 2997 7.181 16.403 29.332 1.00 0.00 SOLV O ATOM 11020 H1 TIP3 2997 7.267 15.454 29.091 1.00 0.00 SOLV H ATOM 11021 H2 TIP3 2997 7.443 16.346 30.271 1.00 0.00 SOLV H ATOM 11022 OH2 TIP3 2998 10.313 2.530 28.203 1.00 0.00 SOLV O ATOM 11023 H1 TIP3 2998 9.546 1.960 28.432 1.00 0.00 SOLV H ATOM 11024 H2 TIP3 2998 10.925 1.874 27.804 1.00 0.00 SOLV H ATOM 11025 OH2 TIP3 2999 16.142 1.131 28.703 1.00 0.00 SOLV O ATOM 11026 H1 TIP3 2999 16.611 1.547 27.955 1.00 0.00 SOLV H ATOM 11027 H2 TIP3 2999 15.570 0.495 28.228 1.00 0.00 SOLV H ATOM 11028 OH2 TIP3 3000 17.518 1.529 26.378 1.00 0.00 SOLV O ATOM 11029 H1 TIP3 3000 18.208 1.046 25.909 1.00 0.00 SOLV H ATOM 11030 H2 TIP3 3000 17.977 2.393 26.525 1.00 0.00 SOLV H ATOM 11031 OH2 TIP3 3001 2.984 0.815 25.913 1.00 0.00 SOLV O ATOM 11032 H1 TIP3 3001 2.327 1.022 25.218 1.00 0.00 SOLV H ATOM 11033 H2 TIP3 3001 3.151 -0.127 25.779 1.00 0.00 SOLV H ATOM 11034 OH2 TIP3 3002 2.021 0.601 21.693 1.00 0.00 SOLV O ATOM 11035 H1 TIP3 3002 2.340 1.365 21.173 1.00 0.00 SOLV H ATOM 11036 H2 TIP3 3002 1.622 1.034 22.469 1.00 0.00 SOLV H ATOM 11037 OH2 TIP3 3003 7.288 1.562 25.916 1.00 0.00 SOLV O ATOM 11038 H1 TIP3 3003 8.129 1.896 25.534 1.00 0.00 SOLV H ATOM 11039 H2 TIP3 3003 7.547 1.452 26.853 1.00 0.00 SOLV H ATOM 11040 OH2 TIP3 3004 12.207 0.970 26.944 1.00 0.00 SOLV O ATOM 11041 H1 TIP3 3004 12.701 1.539 26.345 1.00 0.00 SOLV H ATOM 11042 H2 TIP3 3004 12.913 0.376 27.281 1.00 0.00 SOLV H ATOM 11043 OH2 TIP3 3005 14.364 1.438 23.184 1.00 0.00 SOLV O ATOM 11044 H1 TIP3 3005 13.437 1.694 23.354 1.00 0.00 SOLV H ATOM 11045 H2 TIP3 3005 14.302 0.461 23.091 1.00 0.00 SOLV H ATOM 11046 OH2 TIP3 3006 1.706 16.792 22.620 1.00 0.00 SOLV O ATOM 11047 H1 TIP3 3006 1.084 16.376 22.015 1.00 0.00 SOLV H ATOM 11048 H2 TIP3 3006 1.759 17.706 22.261 1.00 0.00 SOLV H ATOM 11049 OH2 TIP3 3007 3.549 2.656 20.454 1.00 0.00 SOLV O ATOM 11050 H1 TIP3 3007 3.986 2.103 19.767 1.00 0.00 SOLV H ATOM 11051 H2 TIP3 3007 4.333 2.893 21.001 1.00 0.00 SOLV H ATOM 11052 OH2 TIP3 3008 8.429 2.999 22.794 1.00 0.00 SOLV O ATOM 11053 H1 TIP3 3008 8.794 2.305 23.372 1.00 0.00 SOLV H ATOM 11054 H2 TIP3 3008 8.697 3.787 23.318 1.00 0.00 SOLV H ATOM 11055 OH2 TIP3 3009 10.436 17.852 21.084 1.00 0.00 SOLV O ATOM 11056 H1 TIP3 3009 11.395 18.011 20.971 1.00 0.00 SOLV H ATOM 11057 H2 TIP3 3009 10.275 17.315 20.272 1.00 0.00 SOLV H ATOM 11058 OH2 TIP3 3010 17.119 17.610 24.021 1.00 0.00 SOLV O ATOM 11059 H1 TIP3 3010 16.963 16.713 23.641 1.00 0.00 SOLV H ATOM 11060 H2 TIP3 3010 16.990 18.160 23.220 1.00 0.00 SOLV H ATOM 11061 OH2 TIP3 3011 2.886 1.833 35.274 1.00 0.00 SOLV O ATOM 11062 H1 TIP3 3011 2.483 1.087 34.797 1.00 0.00 SOLV H ATOM 11063 H2 TIP3 3011 3.482 1.379 35.901 1.00 0.00 SOLV H ATOM 11064 OH2 TIP3 3012 4.855 1.224 37.301 1.00 0.00 SOLV O ATOM 11065 H1 TIP3 3012 5.641 1.624 36.907 1.00 0.00 SOLV H ATOM 11066 H2 TIP3 3012 5.219 0.410 37.717 1.00 0.00 SOLV H ATOM 11067 OH2 TIP3 3013 3.504 17.637 19.590 1.00 0.00 SOLV O ATOM 11068 H1 TIP3 3013 3.264 17.468 20.509 1.00 0.00 SOLV H ATOM 11069 H2 TIP3 3013 4.251 17.006 19.455 1.00 0.00 SOLV H ATOM 11070 OH2 TIP3 3014 16.252 16.164 36.023 1.00 0.00 SOLV O ATOM 11071 H1 TIP3 3014 15.665 16.253 35.247 1.00 0.00 SOLV H ATOM 11072 H2 TIP3 3014 16.216 17.081 36.357 1.00 0.00 SOLV H ATOM 11073 OH2 TIP3 3015 30.908 10.125 25.810 1.00 0.00 SOLV O ATOM 11074 H1 TIP3 3015 30.724 11.084 25.714 1.00 0.00 SOLV H ATOM 11075 H2 TIP3 3015 30.233 9.770 25.203 1.00 0.00 SOLV H ATOM 11076 OH2 TIP3 3016 29.750 9.401 29.640 1.00 0.00 SOLV O ATOM 11077 H1 TIP3 3016 29.921 8.936 30.485 1.00 0.00 SOLV H ATOM 11078 H2 TIP3 3016 29.359 8.680 29.115 1.00 0.00 SOLV H ATOM 11079 OH2 TIP3 3017 21.838 8.901 31.073 1.00 0.00 SOLV O ATOM 11080 H1 TIP3 3017 21.872 8.074 31.594 1.00 0.00 SOLV H ATOM 11081 H2 TIP3 3017 22.771 9.164 31.087 1.00 0.00 SOLV H ATOM 11082 OH2 TIP3 3018 33.433 12.426 27.857 1.00 0.00 SOLV O ATOM 11083 H1 TIP3 3018 33.072 11.622 28.260 1.00 0.00 SOLV H ATOM 11084 H2 TIP3 3018 33.766 12.916 28.628 1.00 0.00 SOLV H ATOM 11085 OH2 TIP3 3019 23.123 13.500 29.267 1.00 0.00 SOLV O ATOM 11086 H1 TIP3 3019 22.909 12.579 29.003 1.00 0.00 SOLV H ATOM 11087 H2 TIP3 3019 24.082 13.417 29.427 1.00 0.00 SOLV H ATOM 11088 OH2 TIP3 3020 19.796 6.724 24.551 1.00 0.00 SOLV O ATOM 11089 H1 TIP3 3020 19.440 7.591 24.825 1.00 0.00 SOLV H ATOM 11090 H2 TIP3 3020 19.018 6.355 24.106 1.00 0.00 SOLV H ATOM 11091 OH2 TIP3 3021 20.101 9.139 27.208 1.00 0.00 SOLV O ATOM 11092 H1 TIP3 3021 20.397 8.229 27.432 1.00 0.00 SOLV H ATOM 11093 H2 TIP3 3021 20.942 9.570 27.000 1.00 0.00 SOLV H ATOM 11094 OH2 TIP3 3022 30.930 17.208 28.476 1.00 0.00 SOLV O ATOM 11095 H1 TIP3 3022 31.363 16.798 27.699 1.00 0.00 SOLV H ATOM 11096 H2 TIP3 3022 30.266 16.536 28.672 1.00 0.00 SOLV H ATOM 11097 OH2 TIP3 3023 28.082 11.853 29.988 1.00 0.00 SOLV O ATOM 11098 H1 TIP3 3023 28.482 11.060 29.581 1.00 0.00 SOLV H ATOM 11099 H2 TIP3 3023 28.849 12.126 30.534 1.00 0.00 SOLV H ATOM 11100 OH2 TIP3 3024 36.863 3.385 30.653 1.00 0.00 SOLV O ATOM 11101 H1 TIP3 3024 37.066 4.079 31.316 1.00 0.00 SOLV H ATOM 11102 H2 TIP3 3024 37.381 3.695 29.890 1.00 0.00 SOLV H ATOM 11103 OH2 TIP3 3025 31.292 6.154 29.993 1.00 0.00 SOLV O ATOM 11104 H1 TIP3 3025 31.529 5.217 30.115 1.00 0.00 SOLV H ATOM 11105 H2 TIP3 3025 31.139 6.179 29.028 1.00 0.00 SOLV H ATOM 11106 OH2 TIP3 3026 24.635 4.251 27.422 1.00 0.00 SOLV O ATOM 11107 H1 TIP3 3026 24.779 5.088 26.933 1.00 0.00 SOLV H ATOM 11108 H2 TIP3 3026 24.213 3.717 26.719 1.00 0.00 SOLV H ATOM 11109 OH2 TIP3 3027 32.469 4.482 25.655 1.00 0.00 SOLV O ATOM 11110 H1 TIP3 3027 32.967 4.168 26.446 1.00 0.00 SOLV H ATOM 11111 H2 TIP3 3027 33.201 4.854 25.127 1.00 0.00 SOLV H ATOM 11112 OH2 TIP3 3028 21.092 6.673 27.994 1.00 0.00 SOLV O ATOM 11113 H1 TIP3 3028 21.719 6.240 28.606 1.00 0.00 SOLV H ATOM 11114 H2 TIP3 3028 21.399 6.284 27.145 1.00 0.00 SOLV H ATOM 11115 OH2 TIP3 3029 26.001 8.084 27.713 1.00 0.00 SOLV O ATOM 11116 H1 TIP3 3029 26.875 7.706 27.955 1.00 0.00 SOLV H ATOM 11117 H2 TIP3 3029 25.673 7.419 27.070 1.00 0.00 SOLV H ATOM 11118 OH2 TIP3 3030 37.302 4.965 32.903 1.00 0.00 SOLV O ATOM 11119 H1 TIP3 3030 36.531 5.552 32.765 1.00 0.00 SOLV H ATOM 11120 H2 TIP3 3030 37.492 5.098 33.845 1.00 0.00 SOLV H ATOM 11121 OH2 TIP3 3031 23.352 3.252 31.500 1.00 0.00 SOLV O ATOM 11122 H1 TIP3 3031 23.052 3.848 30.789 1.00 0.00 SOLV H ATOM 11123 H2 TIP3 3031 22.644 3.400 32.164 1.00 0.00 SOLV H ATOM 11124 OH2 TIP3 3032 30.230 12.631 24.850 1.00 0.00 SOLV O ATOM 11125 H1 TIP3 3032 30.318 12.860 23.912 1.00 0.00 SOLV H ATOM 11126 H2 TIP3 3032 29.881 13.468 25.219 1.00 0.00 SOLV H ATOM 11127 OH2 TIP3 3033 25.993 10.926 31.453 1.00 0.00 SOLV O ATOM 11128 H1 TIP3 3033 25.483 11.673 31.832 1.00 0.00 SOLV H ATOM 11129 H2 TIP3 3033 26.709 11.393 30.969 1.00 0.00 SOLV H ATOM 11130 OH2 TIP3 3034 33.830 3.902 27.922 1.00 0.00 SOLV O ATOM 11131 H1 TIP3 3034 33.446 3.465 28.695 1.00 0.00 SOLV H ATOM 11132 H2 TIP3 3034 34.374 4.586 28.367 1.00 0.00 SOLV H ATOM 11133 OH2 TIP3 3035 22.886 4.994 29.372 1.00 0.00 SOLV O ATOM 11134 H1 TIP3 3035 23.499 5.541 29.914 1.00 0.00 SOLV H ATOM 11135 H2 TIP3 3035 23.522 4.665 28.694 1.00 0.00 SOLV H ATOM 11136 OH2 TIP3 3036 24.398 12.996 32.577 1.00 0.00 SOLV O ATOM 11137 H1 TIP3 3036 24.324 13.955 32.402 1.00 0.00 SOLV H ATOM 11138 H2 TIP3 3036 23.471 12.807 32.831 1.00 0.00 SOLV H ATOM 11139 OH2 TIP3 3037 20.339 12.630 23.108 1.00 0.00 SOLV O ATOM 11140 H1 TIP3 3037 20.151 13.161 22.319 1.00 0.00 SOLV H ATOM 11141 H2 TIP3 3037 20.581 13.318 23.759 1.00 0.00 SOLV H ATOM 11142 OH2 TIP3 3038 33.843 14.360 30.008 1.00 0.00 SOLV O ATOM 11143 H1 TIP3 3038 32.873 14.354 30.153 1.00 0.00 SOLV H ATOM 11144 H2 TIP3 3038 34.001 15.301 29.814 1.00 0.00 SOLV H ATOM 11145 OH2 TIP3 3039 34.451 2.637 31.836 1.00 0.00 SOLV O ATOM 11146 H1 TIP3 3039 33.673 2.735 31.269 1.00 0.00 SOLV H ATOM 11147 H2 TIP3 3039 35.186 2.861 31.224 1.00 0.00 SOLV H ATOM 11148 OH2 TIP3 3040 26.896 0.957 28.571 1.00 0.00 SOLV O ATOM 11149 H1 TIP3 3040 27.344 0.239 29.065 1.00 0.00 SOLV H ATOM 11150 H2 TIP3 3040 26.068 1.055 29.089 1.00 0.00 SOLV H ATOM 11151 OH2 TIP3 3041 32.089 16.112 26.167 1.00 0.00 SOLV O ATOM 11152 H1 TIP3 3041 32.450 15.212 25.947 1.00 0.00 SOLV H ATOM 11153 H2 TIP3 3041 32.927 16.617 26.247 1.00 0.00 SOLV H ATOM 11154 OH2 TIP3 3042 33.217 13.763 25.437 1.00 0.00 SOLV O ATOM 11155 H1 TIP3 3042 33.309 13.104 24.731 1.00 0.00 SOLV H ATOM 11156 H2 TIP3 3042 33.322 13.207 26.242 1.00 0.00 SOLV H ATOM 11157 OH2 TIP3 3043 35.045 12.350 33.601 1.00 0.00 SOLV O ATOM 11158 H1 TIP3 3043 35.011 11.726 32.841 1.00 0.00 SOLV H ATOM 11159 H2 TIP3 3043 35.227 13.199 33.156 1.00 0.00 SOLV H ATOM 11160 OH2 TIP3 3044 29.503 9.303 23.581 1.00 0.00 SOLV O ATOM 11161 H1 TIP3 3044 28.899 10.030 23.329 1.00 0.00 SOLV H ATOM 11162 H2 TIP3 3044 30.173 9.345 22.873 1.00 0.00 SOLV H ATOM 11163 OH2 TIP3 3045 29.617 7.969 20.197 1.00 0.00 SOLV O ATOM 11164 H1 TIP3 3045 30.202 8.237 20.931 1.00 0.00 SOLV H ATOM 11165 H2 TIP3 3045 30.214 7.357 19.717 1.00 0.00 SOLV H ATOM 11166 OH2 TIP3 3046 36.783 8.786 31.748 1.00 0.00 SOLV O ATOM 11167 H1 TIP3 3046 36.075 9.460 31.692 1.00 0.00 SOLV H ATOM 11168 H2 TIP3 3046 37.402 9.125 31.064 1.00 0.00 SOLV H ATOM 11169 OH2 TIP3 3047 33.053 9.527 24.225 1.00 0.00 SOLV O ATOM 11170 H1 TIP3 3047 32.359 9.704 24.903 1.00 0.00 SOLV H ATOM 11171 H2 TIP3 3047 33.710 9.042 24.770 1.00 0.00 SOLV H ATOM 11172 OH2 TIP3 3048 32.751 7.591 33.649 1.00 0.00 SOLV O ATOM 11173 H1 TIP3 3048 32.709 8.289 34.332 1.00 0.00 SOLV H ATOM 11174 H2 TIP3 3048 32.083 7.908 33.011 1.00 0.00 SOLV H ATOM 11175 OH2 TIP3 3049 24.569 10.110 26.423 1.00 0.00 SOLV O ATOM 11176 H1 TIP3 3049 24.285 9.743 25.557 1.00 0.00 SOLV H ATOM 11177 H2 TIP3 3049 25.114 9.379 26.785 1.00 0.00 SOLV H ATOM 11178 OH2 TIP3 3050 25.982 13.590 29.024 1.00 0.00 SOLV O ATOM 11179 H1 TIP3 3050 26.020 13.575 28.051 1.00 0.00 SOLV H ATOM 11180 H2 TIP3 3050 26.710 12.984 29.274 1.00 0.00 SOLV H ATOM 11181 OH2 TIP3 3051 24.653 9.010 29.969 1.00 0.00 SOLV O ATOM 11182 H1 TIP3 3051 25.207 8.746 29.198 1.00 0.00 SOLV H ATOM 11183 H2 TIP3 3051 25.235 9.653 30.431 1.00 0.00 SOLV H ATOM 11184 OH2 TIP3 3052 31.230 14.562 30.840 1.00 0.00 SOLV O ATOM 11185 H1 TIP3 3052 31.134 14.867 31.754 1.00 0.00 SOLV H ATOM 11186 H2 TIP3 3052 30.879 13.648 30.923 1.00 0.00 SOLV H ATOM 11187 OH2 TIP3 3053 26.089 13.415 34.691 1.00 0.00 SOLV O ATOM 11188 H1 TIP3 3053 25.430 13.998 35.123 1.00 0.00 SOLV H ATOM 11189 H2 TIP3 3053 25.561 13.099 33.927 1.00 0.00 SOLV H ATOM 11190 OH2 TIP3 3054 31.707 8.807 21.931 1.00 0.00 SOLV O ATOM 11191 H1 TIP3 3054 32.256 9.168 22.664 1.00 0.00 SOLV H ATOM 11192 H2 TIP3 3054 32.245 9.091 21.149 1.00 0.00 SOLV H ATOM 11193 OH2 TIP3 3055 22.870 9.362 34.131 1.00 0.00 SOLV O ATOM 11194 H1 TIP3 3055 22.904 10.141 34.717 1.00 0.00 SOLV H ATOM 11195 H2 TIP3 3055 21.908 9.291 33.975 1.00 0.00 SOLV H ATOM 11196 OH2 TIP3 3056 29.558 15.248 25.528 1.00 0.00 SOLV O ATOM 11197 H1 TIP3 3056 30.449 15.564 25.770 1.00 0.00 SOLV H ATOM 11198 H2 TIP3 3056 29.217 15.984 25.001 1.00 0.00 SOLV H ATOM 11199 OH2 TIP3 3057 24.036 15.200 35.392 1.00 0.00 SOLV O ATOM 11200 H1 TIP3 3057 23.956 15.482 34.459 1.00 0.00 SOLV H ATOM 11201 H2 TIP3 3057 23.095 15.068 35.645 1.00 0.00 SOLV H ATOM 11202 OH2 TIP3 3058 35.079 0.796 21.251 1.00 0.00 SOLV O ATOM 11203 H1 TIP3 3058 34.508 1.079 21.983 1.00 0.00 SOLV H ATOM 11204 H2 TIP3 3058 35.747 1.507 21.226 1.00 0.00 SOLV H ATOM 11205 OH2 TIP3 3059 23.645 9.258 23.902 1.00 0.00 SOLV O ATOM 11206 H1 TIP3 3059 23.149 9.889 23.338 1.00 0.00 SOLV H ATOM 11207 H2 TIP3 3059 23.247 8.415 23.663 1.00 0.00 SOLV H ATOM 11208 OH2 TIP3 3060 36.743 14.782 20.348 1.00 0.00 SOLV O ATOM 11209 H1 TIP3 3060 37.021 15.722 20.404 1.00 0.00 SOLV H ATOM 11210 H2 TIP3 3060 37.617 14.331 20.348 1.00 0.00 SOLV H ATOM 11211 OH2 TIP3 3061 19.485 11.597 32.847 1.00 0.00 SOLV O ATOM 11212 H1 TIP3 3061 19.321 11.498 31.896 1.00 0.00 SOLV H ATOM 11213 H2 TIP3 3061 19.747 10.680 33.097 1.00 0.00 SOLV H ATOM 11214 OH2 TIP3 3062 19.531 14.450 29.511 1.00 0.00 SOLV O ATOM 11215 H1 TIP3 3062 20.468 14.214 29.584 1.00 0.00 SOLV H ATOM 11216 H2 TIP3 3062 19.453 15.107 30.222 1.00 0.00 SOLV H ATOM 11217 OH2 TIP3 3063 37.588 15.175 35.228 1.00 0.00 SOLV O ATOM 11218 H1 TIP3 3063 37.640 14.205 35.271 1.00 0.00 SOLV H ATOM 11219 H2 TIP3 3063 36.776 15.351 35.744 1.00 0.00 SOLV H ATOM 11220 OH2 TIP3 3064 28.453 14.592 34.071 1.00 0.00 SOLV O ATOM 11221 H1 TIP3 3064 28.404 15.429 34.579 1.00 0.00 SOLV H ATOM 11222 H2 TIP3 3064 27.610 14.161 34.343 1.00 0.00 SOLV H ATOM 11223 OH2 TIP3 3065 29.263 17.991 23.919 1.00 0.00 SOLV O ATOM 11224 H1 TIP3 3065 29.066 18.027 22.964 1.00 0.00 SOLV H ATOM 11225 H2 TIP3 3065 28.839 18.806 24.240 1.00 0.00 SOLV H ATOM 11226 OH2 TIP3 3066 22.600 17.039 25.937 1.00 0.00 SOLV O ATOM 11227 H1 TIP3 3066 22.825 16.723 26.840 1.00 0.00 SOLV H ATOM 11228 H2 TIP3 3066 22.124 16.271 25.575 1.00 0.00 SOLV H ATOM 11229 OH2 TIP3 3067 32.021 17.603 20.779 1.00 0.00 SOLV O ATOM 11230 H1 TIP3 3067 32.552 16.877 20.380 1.00 0.00 SOLV H ATOM 11231 H2 TIP3 3067 32.202 17.469 21.732 1.00 0.00 SOLV H ATOM 11232 OH2 TIP3 3068 31.920 17.461 23.592 1.00 0.00 SOLV O ATOM 11233 H1 TIP3 3068 30.969 17.636 23.761 1.00 0.00 SOLV H ATOM 11234 H2 TIP3 3068 32.091 16.772 24.256 1.00 0.00 SOLV H ATOM 11235 OH2 TIP3 3069 34.569 6.402 35.764 1.00 0.00 SOLV O ATOM 11236 H1 TIP3 3069 33.943 6.686 35.081 1.00 0.00 SOLV H ATOM 11237 H2 TIP3 3069 34.688 5.457 35.534 1.00 0.00 SOLV H ATOM 11238 OH2 TIP3 3070 21.793 13.022 33.553 1.00 0.00 SOLV O ATOM 11239 H1 TIP3 3070 22.049 12.606 34.402 1.00 0.00 SOLV H ATOM 11240 H2 TIP3 3070 20.972 12.539 33.336 1.00 0.00 SOLV H ATOM 11241 OH2 TIP3 3071 24.507 1.127 30.098 1.00 0.00 SOLV O ATOM 11242 H1 TIP3 3071 23.726 1.088 29.512 1.00 0.00 SOLV H ATOM 11243 H2 TIP3 3071 24.215 1.855 30.685 1.00 0.00 SOLV H ATOM 11244 OH2 TIP3 3072 29.244 1.639 33.307 1.00 0.00 SOLV O ATOM 11245 H1 TIP3 3072 29.536 0.718 33.345 1.00 0.00 SOLV H ATOM 11246 H2 TIP3 3072 28.274 1.522 33.334 1.00 0.00 SOLV H ATOM 11247 OH2 TIP3 3073 32.325 4.889 33.968 1.00 0.00 SOLV O ATOM 11248 H1 TIP3 3073 31.653 4.810 34.686 1.00 0.00 SOLV H ATOM 11249 H2 TIP3 3073 32.364 5.854 33.811 1.00 0.00 SOLV H ATOM 11250 OH2 TIP3 3074 33.222 9.439 19.799 1.00 0.00 SOLV O ATOM 11251 H1 TIP3 3074 33.083 9.543 18.839 1.00 0.00 SOLV H ATOM 11252 H2 TIP3 3074 34.173 9.662 19.870 1.00 0.00 SOLV H ATOM 11253 OH2 TIP3 3075 28.835 3.557 20.592 1.00 0.00 SOLV O ATOM 11254 H1 TIP3 3075 28.231 3.318 21.324 1.00 0.00 SOLV H ATOM 11255 H2 TIP3 3075 28.517 2.944 19.896 1.00 0.00 SOLV H ATOM 11256 OH2 TIP3 3076 24.568 6.455 30.992 1.00 0.00 SOLV O ATOM 11257 H1 TIP3 3076 23.920 6.547 31.719 1.00 0.00 SOLV H ATOM 11258 H2 TIP3 3076 24.624 7.379 30.669 1.00 0.00 SOLV H ATOM 11259 OH2 TIP3 3077 24.657 6.491 25.885 1.00 0.00 SOLV O ATOM 11260 H1 TIP3 3077 23.690 6.358 25.802 1.00 0.00 SOLV H ATOM 11261 H2 TIP3 3077 24.940 6.240 24.977 1.00 0.00 SOLV H ATOM 11262 OH2 TIP3 3078 30.133 6.816 24.678 1.00 0.00 SOLV O ATOM 11263 H1 TIP3 3078 29.912 7.694 24.303 1.00 0.00 SOLV H ATOM 11264 H2 TIP3 3078 30.826 6.507 24.058 1.00 0.00 SOLV H ATOM 11265 OH2 TIP3 3079 29.282 7.075 35.920 1.00 0.00 SOLV O ATOM 11266 H1 TIP3 3079 28.787 6.300 36.272 1.00 0.00 SOLV H ATOM 11267 H2 TIP3 3079 30.132 6.957 36.389 1.00 0.00 SOLV H ATOM 11268 OH2 TIP3 3080 31.035 6.299 27.267 1.00 0.00 SOLV O ATOM 11269 H1 TIP3 3080 30.630 6.784 26.519 1.00 0.00 SOLV H ATOM 11270 H2 TIP3 3080 31.440 5.569 26.755 1.00 0.00 SOLV H ATOM 11271 OH2 TIP3 3081 22.311 6.585 32.620 1.00 0.00 SOLV O ATOM 11272 H1 TIP3 3081 22.714 6.863 33.457 1.00 0.00 SOLV H ATOM 11273 H2 TIP3 3081 21.899 5.729 32.871 1.00 0.00 SOLV H ATOM 11274 OH2 TIP3 3082 25.566 3.797 19.268 1.00 0.00 SOLV O ATOM 11275 H1 TIP3 3082 25.229 3.728 20.185 1.00 0.00 SOLV H ATOM 11276 H2 TIP3 3082 25.059 4.573 18.953 1.00 0.00 SOLV H ATOM 11277 OH2 TIP3 3083 19.036 3.711 26.586 1.00 0.00 SOLV O ATOM 11278 H1 TIP3 3083 19.560 3.756 27.414 1.00 0.00 SOLV H ATOM 11279 H2 TIP3 3083 19.717 3.716 25.907 1.00 0.00 SOLV H ATOM 11280 OH2 TIP3 3084 19.963 4.281 22.143 1.00 0.00 SOLV O ATOM 11281 H1 TIP3 3084 20.584 4.716 21.518 1.00 0.00 SOLV H ATOM 11282 H2 TIP3 3084 19.321 5.002 22.252 1.00 0.00 SOLV H ATOM 11283 OH2 TIP3 3085 30.322 7.869 31.838 1.00 0.00 SOLV O ATOM 11284 H1 TIP3 3085 30.713 7.236 31.188 1.00 0.00 SOLV H ATOM 11285 H2 TIP3 3085 29.735 7.260 32.335 1.00 0.00 SOLV H ATOM 11286 OH2 TIP3 3086 27.461 4.323 26.929 1.00 0.00 SOLV O ATOM 11287 H1 TIP3 3086 26.577 4.131 27.289 1.00 0.00 SOLV H ATOM 11288 H2 TIP3 3086 28.039 3.786 27.511 1.00 0.00 SOLV H ATOM 11289 OH2 TIP3 3087 22.061 5.630 25.634 1.00 0.00 SOLV O ATOM 11290 H1 TIP3 3087 21.294 5.925 25.089 1.00 0.00 SOLV H ATOM 11291 H2 TIP3 3087 22.308 4.773 25.233 1.00 0.00 SOLV H ATOM 11292 OH2 TIP3 3088 25.270 5.658 23.362 1.00 0.00 SOLV O ATOM 11293 H1 TIP3 3088 26.245 5.619 23.464 1.00 0.00 SOLV H ATOM 11294 H2 TIP3 3088 25.155 6.108 22.493 1.00 0.00 SOLV H ATOM 11295 OH2 TIP3 3089 31.587 3.360 29.990 1.00 0.00 SOLV O ATOM 11296 H1 TIP3 3089 31.111 3.465 30.844 1.00 0.00 SOLV H ATOM 11297 H2 TIP3 3089 30.866 3.040 29.423 1.00 0.00 SOLV H ATOM 11298 OH2 TIP3 3090 24.714 6.762 20.923 1.00 0.00 SOLV O ATOM 11299 H1 TIP3 3090 24.238 6.487 20.115 1.00 0.00 SOLV H ATOM 11300 H2 TIP3 3090 25.491 7.205 20.519 1.00 0.00 SOLV H ATOM 11301 OH2 TIP3 3091 22.647 11.588 35.883 1.00 0.00 SOLV O ATOM 11302 H1 TIP3 3091 23.326 11.564 36.585 1.00 0.00 SOLV H ATOM 11303 H2 TIP3 3091 21.837 11.496 36.422 1.00 0.00 SOLV H ATOM 11304 OH2 TIP3 3092 28.329 6.919 28.730 1.00 0.00 SOLV O ATOM 11305 H1 TIP3 3092 29.007 6.425 28.245 1.00 0.00 SOLV H ATOM 11306 H2 TIP3 3092 28.022 6.256 29.378 1.00 0.00 SOLV H ATOM 11307 OH2 TIP3 3093 23.360 3.069 25.262 1.00 0.00 SOLV O ATOM 11308 H1 TIP3 3093 22.876 2.261 25.530 1.00 0.00 SOLV H ATOM 11309 H2 TIP3 3093 24.172 2.684 24.896 1.00 0.00 SOLV H ATOM 11310 OH2 TIP3 3094 27.159 5.440 31.102 1.00 0.00 SOLV O ATOM 11311 H1 TIP3 3094 26.300 5.905 31.131 1.00 0.00 SOLV H ATOM 11312 H2 TIP3 3094 27.644 5.819 31.863 1.00 0.00 SOLV H ATOM 11313 OH2 TIP3 3095 27.620 11.318 22.821 1.00 0.00 SOLV O ATOM 11314 H1 TIP3 3095 26.877 10.869 22.367 1.00 0.00 SOLV H ATOM 11315 H2 TIP3 3095 27.210 11.516 23.699 1.00 0.00 SOLV H ATOM 11316 OH2 TIP3 3096 34.807 10.710 31.401 1.00 0.00 SOLV O ATOM 11317 H1 TIP3 3096 35.381 11.253 30.813 1.00 0.00 SOLV H ATOM 11318 H2 TIP3 3096 34.052 10.496 30.812 1.00 0.00 SOLV H ATOM 11319 OH2 TIP3 3097 31.422 4.105 21.037 1.00 0.00 SOLV O ATOM 11320 H1 TIP3 3097 30.446 4.045 20.899 1.00 0.00 SOLV H ATOM 11321 H2 TIP3 3097 31.526 4.924 21.559 1.00 0.00 SOLV H ATOM 11322 OH2 TIP3 3098 29.138 11.678 33.926 1.00 0.00 SOLV O ATOM 11323 H1 TIP3 3098 29.384 11.240 34.753 1.00 0.00 SOLV H ATOM 11324 H2 TIP3 3098 28.880 12.564 34.217 1.00 0.00 SOLV H ATOM 11325 OH2 TIP3 3099 32.100 6.145 22.832 1.00 0.00 SOLV O ATOM 11326 H1 TIP3 3099 33.006 5.989 23.164 1.00 0.00 SOLV H ATOM 11327 H2 TIP3 3099 32.165 7.047 22.464 1.00 0.00 SOLV H ATOM 11328 OH2 TIP3 3100 22.953 10.838 28.518 1.00 0.00 SOLV O ATOM 11329 H1 TIP3 3100 23.489 10.687 27.711 1.00 0.00 SOLV H ATOM 11330 H2 TIP3 3100 23.323 10.156 29.106 1.00 0.00 SOLV H ATOM 11331 OH2 TIP3 3101 29.743 12.796 21.953 1.00 0.00 SOLV O ATOM 11332 H1 TIP3 3101 29.367 13.703 22.048 1.00 0.00 SOLV H ATOM 11333 H2 TIP3 3101 28.990 12.249 22.267 1.00 0.00 SOLV H ATOM 11334 OH2 TIP3 3102 20.052 9.166 33.983 1.00 0.00 SOLV O ATOM 11335 H1 TIP3 3102 20.007 8.801 34.890 1.00 0.00 SOLV H ATOM 11336 H2 TIP3 3102 19.425 8.583 33.521 1.00 0.00 SOLV H ATOM 11337 OH2 TIP3 3103 27.144 8.848 36.065 1.00 0.00 SOLV O ATOM 11338 H1 TIP3 3103 26.589 8.448 35.380 1.00 0.00 SOLV H ATOM 11339 H2 TIP3 3103 27.982 8.350 35.936 1.00 0.00 SOLV H ATOM 11340 OH2 TIP3 3104 31.278 14.153 33.977 1.00 0.00 SOLV O ATOM 11341 H1 TIP3 3104 30.310 14.254 33.916 1.00 0.00 SOLV H ATOM 11342 H2 TIP3 3104 31.418 14.401 34.917 1.00 0.00 SOLV H ATOM 11343 OH2 TIP3 3105 36.849 6.581 22.461 1.00 0.00 SOLV O ATOM 11344 H1 TIP3 3105 36.406 6.383 21.601 1.00 0.00 SOLV H ATOM 11345 H2 TIP3 3105 37.060 7.525 22.277 1.00 0.00 SOLV H ATOM 11346 OH2 TIP3 3106 37.308 12.273 35.160 1.00 0.00 SOLV O ATOM 11347 H1 TIP3 3106 36.395 12.396 34.825 1.00 0.00 SOLV H ATOM 11348 H2 TIP3 3106 37.786 12.130 34.311 1.00 0.00 SOLV H ATOM 11349 OH2 TIP3 3107 35.393 15.050 22.769 1.00 0.00 SOLV O ATOM 11350 H1 TIP3 3107 35.016 14.208 23.051 1.00 0.00 SOLV H ATOM 11351 H2 TIP3 3107 35.804 14.828 21.911 1.00 0.00 SOLV H ATOM 11352 OH2 TIP3 3108 32.646 10.037 29.673 1.00 0.00 SOLV O ATOM 11353 H1 TIP3 3108 31.685 9.923 29.551 1.00 0.00 SOLV H ATOM 11354 H2 TIP3 3108 32.977 9.244 29.199 1.00 0.00 SOLV H ATOM 11355 OH2 TIP3 3109 25.388 14.321 26.132 1.00 0.00 SOLV O ATOM 11356 H1 TIP3 3109 25.607 15.198 25.759 1.00 0.00 SOLV H ATOM 11357 H2 TIP3 3109 24.465 14.235 25.870 1.00 0.00 SOLV H ATOM 11358 OH2 TIP3 3110 21.056 9.008 20.620 1.00 0.00 SOLV O ATOM 11359 H1 TIP3 3110 21.655 9.534 21.197 1.00 0.00 SOLV H ATOM 11360 H2 TIP3 3110 20.346 9.654 20.487 1.00 0.00 SOLV H ATOM 11361 OH2 TIP3 3111 26.289 11.886 25.102 1.00 0.00 SOLV O ATOM 11362 H1 TIP3 3111 26.124 12.756 25.512 1.00 0.00 SOLV H ATOM 11363 H2 TIP3 3111 25.741 11.298 25.654 1.00 0.00 SOLV H ATOM 11364 OH2 TIP3 3112 27.081 16.004 32.005 1.00 0.00 SOLV O ATOM 11365 H1 TIP3 3112 27.818 16.396 31.523 1.00 0.00 SOLV H ATOM 11366 H2 TIP3 3112 27.553 15.388 32.599 1.00 0.00 SOLV H ATOM 11367 OH2 TIP3 3113 25.219 16.976 24.954 1.00 0.00 SOLV O ATOM 11368 H1 TIP3 3113 24.294 17.170 25.208 1.00 0.00 SOLV H ATOM 11369 H2 TIP3 3113 25.675 17.766 25.328 1.00 0.00 SOLV H ATOM 11370 OH2 TIP3 3114 30.358 12.049 31.506 1.00 0.00 SOLV O ATOM 11371 H1 TIP3 3114 29.963 11.843 32.385 1.00 0.00 SOLV H ATOM 11372 H2 TIP3 3114 31.012 11.340 31.425 1.00 0.00 SOLV H ATOM 11373 OH2 TIP3 3115 33.129 13.183 20.789 1.00 0.00 SOLV O ATOM 11374 H1 TIP3 3115 33.382 12.711 21.614 1.00 0.00 SOLV H ATOM 11375 H2 TIP3 3115 32.187 12.961 20.732 1.00 0.00 SOLV H ATOM 11376 OH2 TIP3 3116 37.480 17.451 20.859 1.00 0.00 SOLV O ATOM 11377 H1 TIP3 3116 38.132 18.181 20.923 1.00 0.00 SOLV H ATOM 11378 H2 TIP3 3116 36.662 17.951 21.055 1.00 0.00 SOLV H ATOM 11379 OH2 TIP3 3117 21.355 3.985 33.248 1.00 0.00 SOLV O ATOM 11380 H1 TIP3 3117 20.450 3.778 32.940 1.00 0.00 SOLV H ATOM 11381 H2 TIP3 3117 21.439 3.316 33.955 1.00 0.00 SOLV H ATOM 11382 OH2 TIP3 3118 33.980 11.882 23.095 1.00 0.00 SOLV O ATOM 11383 H1 TIP3 3118 33.583 11.070 23.475 1.00 0.00 SOLV H ATOM 11384 H2 TIP3 3118 34.929 11.622 23.116 1.00 0.00 SOLV H ATOM 11385 OH2 TIP3 3119 21.112 15.642 31.753 1.00 0.00 SOLV O ATOM 11386 H1 TIP3 3119 21.442 14.846 32.205 1.00 0.00 SOLV H ATOM 11387 H2 TIP3 3119 21.396 16.345 32.356 1.00 0.00 SOLV H ATOM 11388 OH2 TIP3 3120 26.917 14.181 19.170 1.00 0.00 SOLV O ATOM 11389 H1 TIP3 3120 26.968 13.306 18.742 1.00 0.00 SOLV H ATOM 11390 H2 TIP3 3120 26.422 13.966 19.985 1.00 0.00 SOLV H ATOM 11391 OH2 TIP3 3121 25.622 13.824 21.608 1.00 0.00 SOLV O ATOM 11392 H1 TIP3 3121 26.244 13.319 22.151 1.00 0.00 SOLV H ATOM 11393 H2 TIP3 3121 25.772 14.740 21.934 1.00 0.00 SOLV H ATOM 11394 OH2 TIP3 3122 22.217 10.913 22.172 1.00 0.00 SOLV O ATOM 11395 H1 TIP3 3122 21.494 11.404 22.627 1.00 0.00 SOLV H ATOM 11396 H2 TIP3 3122 22.637 11.658 21.699 1.00 0.00 SOLV H ATOM 11397 OH2 TIP3 3123 30.369 3.921 32.378 1.00 0.00 SOLV O ATOM 11398 H1 TIP3 3123 31.158 4.096 32.933 1.00 0.00 SOLV H ATOM 11399 H2 TIP3 3123 29.994 3.109 32.796 1.00 0.00 SOLV H ATOM 11400 OH2 TIP3 3124 30.920 3.028 23.801 1.00 0.00 SOLV O ATOM 11401 H1 TIP3 3124 31.109 3.402 22.922 1.00 0.00 SOLV H ATOM 11402 H2 TIP3 3124 31.372 3.667 24.394 1.00 0.00 SOLV H ATOM 11403 OH2 TIP3 3125 28.651 15.250 22.200 1.00 0.00 SOLV O ATOM 11404 H1 TIP3 3125 27.755 15.586 22.394 1.00 0.00 SOLV H ATOM 11405 H2 TIP3 3125 29.051 16.040 21.806 1.00 0.00 SOLV H ATOM 11406 OH2 TIP3 3126 27.863 5.231 24.349 1.00 0.00 SOLV O ATOM 11407 H1 TIP3 3126 28.651 5.802 24.474 1.00 0.00 SOLV H ATOM 11408 H2 TIP3 3126 27.719 4.930 25.275 1.00 0.00 SOLV H ATOM 11409 OH2 TIP3 3127 28.824 6.111 33.276 1.00 0.00 SOLV O ATOM 11410 H1 TIP3 3127 29.006 6.296 34.219 1.00 0.00 SOLV H ATOM 11411 H2 TIP3 3127 29.277 5.254 33.133 1.00 0.00 SOLV H ATOM 11412 OH2 TIP3 3128 28.656 2.230 25.074 1.00 0.00 SOLV O ATOM 11413 H1 TIP3 3128 28.927 2.669 25.894 1.00 0.00 SOLV H ATOM 11414 H2 TIP3 3128 29.463 2.371 24.531 1.00 0.00 SOLV H ATOM 11415 OH2 TIP3 3129 26.174 16.364 22.459 1.00 0.00 SOLV O ATOM 11416 H1 TIP3 3129 26.164 17.226 21.987 1.00 0.00 SOLV H ATOM 11417 H2 TIP3 3129 25.823 16.623 23.341 1.00 0.00 SOLV H ATOM 11418 OH2 TIP3 3130 24.705 3.389 21.867 1.00 0.00 SOLV O ATOM 11419 H1 TIP3 3130 24.637 4.158 22.469 1.00 0.00 SOLV H ATOM 11420 H2 TIP3 3130 25.594 3.067 22.138 1.00 0.00 SOLV H ATOM 11421 OH2 TIP3 3131 34.815 3.952 34.448 1.00 0.00 SOLV O ATOM 11422 H1 TIP3 3131 33.858 4.109 34.295 1.00 0.00 SOLV H ATOM 11423 H2 TIP3 3131 35.062 3.645 33.561 1.00 0.00 SOLV H ATOM 11424 OH2 TIP3 3132 33.409 7.694 28.294 1.00 0.00 SOLV O ATOM 11425 H1 TIP3 3132 32.575 7.228 28.107 1.00 0.00 SOLV H ATOM 11426 H2 TIP3 3132 33.905 7.023 28.812 1.00 0.00 SOLV H ATOM 11427 OH2 TIP3 3133 22.980 13.234 20.753 1.00 0.00 SOLV O ATOM 11428 H1 TIP3 3133 23.771 13.638 21.166 1.00 0.00 SOLV H ATOM 11429 H2 TIP3 3133 23.439 12.682 20.081 1.00 0.00 SOLV H ATOM 11430 OH2 TIP3 3134 20.731 6.242 20.354 1.00 0.00 SOLV O ATOM 11431 H1 TIP3 3134 20.982 7.172 20.508 1.00 0.00 SOLV H ATOM 11432 H2 TIP3 3134 20.714 6.192 19.388 1.00 0.00 SOLV H ATOM 11433 OH2 TIP3 3135 34.521 17.129 29.781 1.00 0.00 SOLV O ATOM 11434 H1 TIP3 3135 34.641 17.069 28.825 1.00 0.00 SOLV H ATOM 11435 H2 TIP3 3135 35.421 17.380 30.083 1.00 0.00 SOLV H ATOM 11436 OH2 TIP3 3136 22.066 0.972 28.669 1.00 0.00 SOLV O ATOM 11437 H1 TIP3 3136 21.988 1.034 27.698 1.00 0.00 SOLV H ATOM 11438 H2 TIP3 3136 22.193 0.001 28.761 1.00 0.00 SOLV H ATOM 11439 OH2 TIP3 3137 20.884 14.985 24.544 1.00 0.00 SOLV O ATOM 11440 H1 TIP3 3137 20.213 15.258 25.183 1.00 0.00 SOLV H ATOM 11441 H2 TIP3 3137 20.783 15.664 23.832 1.00 0.00 SOLV H ATOM 11442 OH2 TIP3 3138 20.377 17.849 36.573 1.00 0.00 SOLV O ATOM 11443 H1 TIP3 3138 21.061 17.608 37.239 1.00 0.00 SOLV H ATOM 11444 H2 TIP3 3138 20.182 16.975 36.201 1.00 0.00 SOLV H ATOM 11445 OH2 TIP3 3139 24.708 16.469 37.741 1.00 0.00 SOLV O ATOM 11446 H1 TIP3 3139 25.498 15.975 38.014 1.00 0.00 SOLV H ATOM 11447 H2 TIP3 3139 24.515 16.021 36.889 1.00 0.00 SOLV H ATOM 11448 OH2 TIP3 3140 29.022 15.967 19.115 1.00 0.00 SOLV O ATOM 11449 H1 TIP3 3140 28.332 15.267 19.185 1.00 0.00 SOLV H ATOM 11450 H2 TIP3 3140 29.790 15.447 18.803 1.00 0.00 SOLV H ATOM 11451 OH2 TIP3 3141 31.407 14.839 36.648 1.00 0.00 SOLV O ATOM 11452 H1 TIP3 3141 31.037 14.055 37.118 1.00 0.00 SOLV H ATOM 11453 H2 TIP3 3141 32.099 15.127 37.277 1.00 0.00 SOLV H ATOM 11454 OH2 TIP3 3142 33.415 15.641 19.436 1.00 0.00 SOLV O ATOM 11455 H1 TIP3 3142 33.565 14.838 19.974 1.00 0.00 SOLV H ATOM 11456 H2 TIP3 3142 34.180 15.641 18.829 1.00 0.00 SOLV H ATOM 11457 OH2 TIP3 3143 20.188 11.497 37.208 1.00 0.00 SOLV O ATOM 11458 H1 TIP3 3143 20.202 10.521 37.151 1.00 0.00 SOLV H ATOM 11459 H2 TIP3 3143 19.473 11.726 36.581 1.00 0.00 SOLV H ATOM 11460 OH2 TIP3 3144 24.388 11.439 19.352 1.00 0.00 SOLV O ATOM 11461 H1 TIP3 3144 24.752 10.965 20.130 1.00 0.00 SOLV H ATOM 11462 H2 TIP3 3144 25.210 11.525 18.817 1.00 0.00 SOLV H ATOM 11463 OH2 TIP3 3145 26.668 11.594 36.718 1.00 0.00 SOLV O ATOM 11464 H1 TIP3 3145 26.590 12.039 35.851 1.00 0.00 SOLV H ATOM 11465 H2 TIP3 3145 26.921 10.680 36.466 1.00 0.00 SOLV H ATOM 11466 OH2 TIP3 3146 30.189 12.850 19.243 1.00 0.00 SOLV O ATOM 11467 H1 TIP3 3146 29.935 12.765 20.185 1.00 0.00 SOLV H ATOM 11468 H2 TIP3 3146 30.087 11.921 18.939 1.00 0.00 SOLV H ATOM 11469 OH2 TIP3 3147 32.466 11.580 34.231 1.00 0.00 SOLV O ATOM 11470 H1 TIP3 3147 33.399 11.830 34.076 1.00 0.00 SOLV H ATOM 11471 H2 TIP3 3147 32.012 12.420 34.035 1.00 0.00 SOLV H ATOM 11472 OH2 TIP3 3148 21.049 8.796 36.711 1.00 0.00 SOLV O ATOM 11473 H1 TIP3 3148 21.779 8.210 36.478 1.00 0.00 SOLV H ATOM 11474 H2 TIP3 3148 21.121 8.809 37.691 1.00 0.00 SOLV H ATOM 11475 OH2 TIP3 3149 25.574 9.945 21.515 1.00 0.00 SOLV O ATOM 11476 H1 TIP3 3149 25.125 9.416 22.193 1.00 0.00 SOLV H ATOM 11477 H2 TIP3 3149 26.046 9.256 20.997 1.00 0.00 SOLV H ATOM 11478 OH2 TIP3 3150 24.878 7.541 33.937 1.00 0.00 SOLV O ATOM 11479 H1 TIP3 3150 24.259 8.305 33.960 1.00 0.00 SOLV H ATOM 11480 H2 TIP3 3150 25.656 7.938 33.478 1.00 0.00 SOLV H ATOM 11481 OH2 TIP3 3151 26.860 8.089 19.908 1.00 0.00 SOLV O ATOM 11482 H1 TIP3 3151 26.900 8.386 18.973 1.00 0.00 SOLV H ATOM 11483 H2 TIP3 3151 27.811 7.900 20.069 1.00 0.00 SOLV H ATOM 11484 OH2 TIP3 3152 30.118 10.232 37.376 1.00 0.00 SOLV O ATOM 11485 H1 TIP3 3152 30.909 9.783 37.049 1.00 0.00 SOLV H ATOM 11486 H2 TIP3 3152 29.731 9.541 37.948 1.00 0.00 SOLV H ATOM 11487 OH2 TIP3 3153 35.838 10.181 19.508 1.00 0.00 SOLV O ATOM 11488 H1 TIP3 3153 35.866 9.984 18.550 1.00 0.00 SOLV H ATOM 11489 H2 TIP3 3153 35.712 11.158 19.461 1.00 0.00 SOLV H ATOM 11490 OH2 TIP3 3154 25.512 5.139 34.993 1.00 0.00 SOLV O ATOM 11491 H1 TIP3 3154 25.619 4.520 34.239 1.00 0.00 SOLV H ATOM 11492 H2 TIP3 3154 25.325 5.984 34.521 1.00 0.00 SOLV H ATOM 11493 OH2 TIP3 3155 25.786 3.535 32.740 1.00 0.00 SOLV O ATOM 11494 H1 TIP3 3155 26.346 4.002 32.089 1.00 0.00 SOLV H ATOM 11495 H2 TIP3 3155 24.926 3.494 32.270 1.00 0.00 SOLV H ATOM 11496 OH2 TIP3 3156 26.980 8.735 32.813 1.00 0.00 SOLV O ATOM 11497 H1 TIP3 3156 27.943 8.734 32.736 1.00 0.00 SOLV H ATOM 11498 H2 TIP3 3156 26.729 9.557 32.341 1.00 0.00 SOLV H ATOM 11499 OH2 TIP3 3157 31.519 6.641 37.589 1.00 0.00 SOLV O ATOM 11500 H1 TIP3 3157 31.726 5.705 37.740 1.00 0.00 SOLV H ATOM 11501 H2 TIP3 3157 32.403 7.020 37.474 1.00 0.00 SOLV H ATOM 11502 OH2 TIP3 3158 32.987 9.474 35.857 1.00 0.00 SOLV O ATOM 11503 H1 TIP3 3158 32.692 10.252 35.330 1.00 0.00 SOLV H ATOM 11504 H2 TIP3 3158 33.963 9.570 35.770 1.00 0.00 SOLV H ATOM 11505 OH2 TIP3 3159 23.929 5.845 37.195 1.00 0.00 SOLV O ATOM 11506 H1 TIP3 3159 23.121 5.302 37.062 1.00 0.00 SOLV H ATOM 11507 H2 TIP3 3159 24.411 5.682 36.358 1.00 0.00 SOLV H ATOM 11508 OH2 TIP3 3160 26.559 0.965 33.373 1.00 0.00 SOLV O ATOM 11509 H1 TIP3 3160 26.272 1.892 33.221 1.00 0.00 SOLV H ATOM 11510 H2 TIP3 3160 25.823 0.465 33.007 1.00 0.00 SOLV H ATOM 11511 OH2 TIP3 3161 27.789 4.907 36.590 1.00 0.00 SOLV O ATOM 11512 H1 TIP3 3161 27.422 4.468 37.376 1.00 0.00 SOLV H ATOM 11513 H2 TIP3 3161 26.990 4.926 36.021 1.00 0.00 SOLV H ATOM 11514 OH2 TIP3 3162 30.455 4.298 35.810 1.00 0.00 SOLV O ATOM 11515 H1 TIP3 3162 29.538 4.252 36.144 1.00 0.00 SOLV H ATOM 11516 H2 TIP3 3162 30.913 3.633 36.361 1.00 0.00 SOLV H ATOM 11517 OH2 TIP3 3163 32.071 2.782 37.565 1.00 0.00 SOLV O ATOM 11518 H1 TIP3 3163 31.854 1.875 37.804 1.00 0.00 SOLV H ATOM 11519 H2 TIP3 3163 31.902 3.256 38.411 1.00 0.00 SOLV H ATOM 11520 OH2 TIP3 3164 21.832 4.112 36.900 1.00 0.00 SOLV O ATOM 11521 H1 TIP3 3164 21.817 3.296 36.354 1.00 0.00 SOLV H ATOM 11522 H2 TIP3 3164 21.888 3.730 37.804 1.00 0.00 SOLV H ATOM 11523 OH2 TIP3 3165 27.565 1.943 37.649 1.00 0.00 SOLV O ATOM 11524 H1 TIP3 3165 27.274 1.048 37.415 1.00 0.00 SOLV H ATOM 11525 H2 TIP3 3165 26.735 2.452 37.716 1.00 0.00 SOLV H ATOM 11526 OH2 TIP3 3166 26.679 18.744 21.099 1.00 0.00 SOLV O ATOM 11527 H1 TIP3 3166 27.620 18.491 21.056 1.00 0.00 SOLV H ATOM 11528 H2 TIP3 3166 26.670 19.512 20.500 1.00 0.00 SOLV H ATOM 11529 OH2 TIP3 3167 20.267 13.412 20.277 1.00 0.00 SOLV O ATOM 11530 H1 TIP3 3167 21.233 13.419 20.465 1.00 0.00 SOLV H ATOM 11531 H2 TIP3 3167 20.194 12.634 19.684 1.00 0.00 SOLV H ATOM 11532 OH2 TIP3 3168 19.132 18.631 25.660 1.00 0.00 SOLV O ATOM 11533 H1 TIP3 3168 18.584 18.248 24.945 1.00 0.00 SOLV H ATOM 11534 H2 TIP3 3168 19.351 17.829 26.179 1.00 0.00 SOLV H ATOM 11535 OH2 TIP3 3169 19.675 16.449 27.276 1.00 0.00 SOLV O ATOM 11536 H1 TIP3 3169 19.345 15.693 27.791 1.00 0.00 SOLV H ATOM 11537 H2 TIP3 3169 20.257 16.866 27.941 1.00 0.00 SOLV H ATOM 11538 OH2 TIP3 3170 37.082 17.923 30.558 1.00 0.00 SOLV O ATOM 11539 H1 TIP3 3170 37.157 17.609 31.482 1.00 0.00 SOLV H ATOM 11540 H2 TIP3 3170 37.977 17.739 30.205 1.00 0.00 SOLV H ATOM 11541 OH2 TIP3 3171 36.743 17.006 33.221 1.00 0.00 SOLV O ATOM 11542 H1 TIP3 3171 36.184 16.246 32.959 1.00 0.00 SOLV H ATOM 11543 H2 TIP3 3171 37.284 16.571 33.912 1.00 0.00 SOLV H ATOM 11544 OH2 TIP3 3172 35.228 12.803 38.012 1.00 0.00 SOLV O ATOM 11545 H1 TIP3 3172 34.411 12.915 38.536 1.00 0.00 SOLV H ATOM 11546 H2 TIP3 3172 35.783 13.536 38.343 1.00 0.00 SOLV H ATOM 11547 OH2 TIP3 3173 36.609 11.094 23.344 1.00 0.00 SOLV O ATOM 11548 H1 TIP3 3173 37.416 11.654 23.321 1.00 0.00 SOLV H ATOM 11549 H2 TIP3 3173 36.821 10.491 24.092 1.00 0.00 SOLV H ATOM 11550 OH2 TIP3 3174 37.149 9.145 25.233 1.00 0.00 SOLV O ATOM 11551 H1 TIP3 3174 36.302 8.801 25.590 1.00 0.00 SOLV H ATOM 11552 H2 TIP3 3174 37.697 9.253 26.041 1.00 0.00 SOLV H ATOM 11553 OH2 TIP3 3175 36.877 12.023 30.242 1.00 0.00 SOLV O ATOM 11554 H1 TIP3 3175 37.466 11.321 29.885 1.00 0.00 SOLV H ATOM 11555 H2 TIP3 3175 37.271 12.837 29.870 1.00 0.00 SOLV H ATOM 11556 OH2 TIP3 3176 35.029 14.911 32.453 1.00 0.00 SOLV O ATOM 11557 H1 TIP3 3176 34.080 14.934 32.623 1.00 0.00 SOLV H ATOM 11558 H2 TIP3 3176 35.031 14.648 31.510 1.00 0.00 SOLV H ATOM 11559 OH2 TIP3 3177 37.316 9.124 21.548 1.00 0.00 SOLV O ATOM 11560 H1 TIP3 3177 36.793 9.396 20.760 1.00 0.00 SOLV H ATOM 11561 H2 TIP3 3177 37.018 9.807 22.184 1.00 0.00 SOLV H ATOM 11562 OH2 TIP3 3178 35.703 6.324 20.007 1.00 0.00 SOLV O ATOM 11563 H1 TIP3 3178 35.568 6.821 19.192 1.00 0.00 SOLV H ATOM 11564 H2 TIP3 3178 35.417 5.432 19.713 1.00 0.00 SOLV H ATOM 11565 OH2 TIP3 3179 34.676 7.962 25.842 1.00 0.00 SOLV O ATOM 11566 H1 TIP3 3179 34.669 7.040 25.536 1.00 0.00 SOLV H ATOM 11567 H2 TIP3 3179 34.276 7.895 26.737 1.00 0.00 SOLV H ATOM 11568 OH2 TIP3 3180 19.620 9.958 29.883 1.00 0.00 SOLV O ATOM 11569 H1 TIP3 3180 19.750 9.708 28.944 1.00 0.00 SOLV H ATOM 11570 H2 TIP3 3180 20.484 9.660 30.261 1.00 0.00 SOLV H ATOM 11571 OH2 TIP3 3181 35.737 9.805 35.645 1.00 0.00 SOLV O ATOM 11572 H1 TIP3 3181 36.297 9.002 35.540 1.00 0.00 SOLV H ATOM 11573 H2 TIP3 3181 36.308 10.494 35.270 1.00 0.00 SOLV H ATOM 11574 OH2 TIP3 3182 37.069 7.448 35.592 1.00 0.00 SOLV O ATOM 11575 H1 TIP3 3182 36.185 7.035 35.694 1.00 0.00 SOLV H ATOM 11576 H2 TIP3 3182 37.640 6.679 35.809 1.00 0.00 SOLV H ATOM 11577 OH2 TIP3 3183 34.904 3.888 19.093 1.00 0.00 SOLV O ATOM 11578 H1 TIP3 3183 35.489 3.416 19.724 1.00 0.00 SOLV H ATOM 11579 H2 TIP3 3183 34.159 3.280 18.989 1.00 0.00 SOLV H ATOM 11580 OH2 TIP3 3184 34.630 5.500 24.110 1.00 0.00 SOLV O ATOM 11581 H1 TIP3 3184 34.934 4.562 24.157 1.00 0.00 SOLV H ATOM 11582 H2 TIP3 3184 35.382 5.887 23.620 1.00 0.00 SOLV H ATOM 11583 OH2 TIP3 3185 34.944 5.780 29.561 1.00 0.00 SOLV O ATOM 11584 H1 TIP3 3185 35.912 5.915 29.430 1.00 0.00 SOLV H ATOM 11585 H2 TIP3 3185 34.903 5.898 30.531 1.00 0.00 SOLV H ATOM 11586 OH2 TIP3 3186 35.193 6.620 32.247 1.00 0.00 SOLV O ATOM 11587 H1 TIP3 3186 34.410 7.021 32.664 1.00 0.00 SOLV H ATOM 11588 H2 TIP3 3186 35.767 7.404 32.094 1.00 0.00 SOLV H ATOM 11589 OH2 TIP3 3187 19.461 5.089 36.031 1.00 0.00 SOLV O ATOM 11590 H1 TIP3 3187 20.376 4.859 36.301 1.00 0.00 SOLV H ATOM 11591 H2 TIP3 3187 19.039 4.209 36.105 1.00 0.00 SOLV H ATOM 11592 OH2 TIP3 3188 37.587 0.919 37.985 1.00 0.00 SOLV O ATOM 11593 H1 TIP3 3188 38.315 0.313 37.770 1.00 0.00 SOLV H ATOM 11594 H2 TIP3 3188 37.365 1.314 37.117 1.00 0.00 SOLV H ATOM 11595 OH2 TIP3 3189 35.301 2.852 24.250 1.00 0.00 SOLV O ATOM 11596 H1 TIP3 3189 35.451 2.335 25.066 1.00 0.00 SOLV H ATOM 11597 H2 TIP3 3189 34.541 2.361 23.861 1.00 0.00 SOLV H ATOM 11598 OH2 TIP3 3190 20.574 3.419 28.838 1.00 0.00 SOLV O ATOM 11599 H1 TIP3 3190 20.977 2.540 28.976 1.00 0.00 SOLV H ATOM 11600 H2 TIP3 3190 21.318 4.006 29.069 1.00 0.00 SOLV H ATOM 11601 OH2 TIP3 3191 18.780 6.371 29.577 1.00 0.00 SOLV O ATOM 11602 H1 TIP3 3191 19.515 6.477 28.942 1.00 0.00 SOLV H ATOM 11603 H2 TIP3 3191 19.174 6.686 30.399 1.00 0.00 SOLV H ATOM 11604 OH2 TIP3 3192 36.877 2.598 35.790 1.00 0.00 SOLV O ATOM 11605 H1 TIP3 3192 36.049 3.114 35.843 1.00 0.00 SOLV H ATOM 11606 H2 TIP3 3192 36.896 2.412 34.838 1.00 0.00 SOLV H ATOM 11607 OH2 TIP3 3193 36.822 2.861 20.811 1.00 0.00 SOLV O ATOM 11608 H1 TIP3 3193 37.229 2.155 20.254 1.00 0.00 SOLV H ATOM 11609 H2 TIP3 3193 37.611 3.318 21.167 1.00 0.00 SOLV H ATOM 11610 OH2 TIP3 3194 19.236 2.305 23.851 1.00 0.00 SOLV O ATOM 11611 H1 TIP3 3194 18.287 2.537 23.879 1.00 0.00 SOLV H ATOM 11612 H2 TIP3 3194 19.587 3.060 23.328 1.00 0.00 SOLV H ATOM 11613 OH2 TIP3 3195 34.265 17.837 26.259 1.00 0.00 SOLV O ATOM 11614 H1 TIP3 3195 34.556 17.597 25.345 1.00 0.00 SOLV H ATOM 11615 H2 TIP3 3195 35.064 18.315 26.512 1.00 0.00 SOLV H ATOM 11616 OH2 TIP3 3196 19.370 2.010 32.673 1.00 0.00 SOLV O ATOM 11617 H1 TIP3 3196 19.329 1.039 32.609 1.00 0.00 SOLV H ATOM 11618 H2 TIP3 3196 18.911 2.294 31.865 1.00 0.00 SOLV H ATOM 11619 OH2 TIP3 3197 21.440 14.973 36.325 1.00 0.00 SOLV O ATOM 11620 H1 TIP3 3197 20.560 14.898 35.909 1.00 0.00 SOLV H ATOM 11621 H2 TIP3 3197 21.318 14.470 37.140 1.00 0.00 SOLV H ATOM 11622 OH2 TIP3 3198 24.389 15.803 32.616 1.00 0.00 SOLV O ATOM 11623 H1 TIP3 3198 24.146 16.663 32.209 1.00 0.00 SOLV H ATOM 11624 H2 TIP3 3198 25.361 15.845 32.491 1.00 0.00 SOLV H ATOM 11625 OH2 TIP3 3199 28.365 17.093 35.374 1.00 0.00 SOLV O ATOM 11626 H1 TIP3 3199 28.467 16.782 36.299 1.00 0.00 SOLV H ATOM 11627 H2 TIP3 3199 29.242 17.523 35.252 1.00 0.00 SOLV H ATOM 11628 OH2 TIP3 3200 30.758 18.285 35.058 1.00 0.00 SOLV O ATOM 11629 H1 TIP3 3200 31.259 17.802 34.379 1.00 0.00 SOLV H ATOM 11630 H2 TIP3 3200 31.411 18.391 35.787 1.00 0.00 SOLV H ATOM 11631 OH2 TIP3 3201 35.498 0.688 33.407 1.00 0.00 SOLV O ATOM 11632 H1 TIP3 3201 35.123 1.457 32.924 1.00 0.00 SOLV H ATOM 11633 H2 TIP3 3201 35.474 0.008 32.719 1.00 0.00 SOLV H ATOM 11634 OH2 TIP3 3202 21.532 18.668 32.842 1.00 0.00 SOLV O ATOM 11635 H1 TIP3 3202 20.728 19.045 32.428 1.00 0.00 SOLV H ATOM 11636 H2 TIP3 3202 21.674 19.280 33.583 1.00 0.00 SOLV H ATOM 11637 OH2 TIP3 3203 24.004 18.374 31.656 1.00 0.00 SOLV O ATOM 11638 H1 TIP3 3203 23.083 18.500 31.963 1.00 0.00 SOLV H ATOM 11639 H2 TIP3 3203 24.294 19.298 31.572 1.00 0.00 SOLV H ATOM 11640 OH2 TIP3 3204 31.140 17.235 31.988 1.00 0.00 SOLV O ATOM 11641 H1 TIP3 3204 30.756 17.188 31.103 1.00 0.00 SOLV H ATOM 11642 H2 TIP3 3204 32.071 17.085 31.786 1.00 0.00 SOLV H ATOM 11643 OH2 TIP3 3205 21.139 17.275 29.486 1.00 0.00 SOLV O ATOM 11644 H1 TIP3 3205 21.111 16.816 30.352 1.00 0.00 SOLV H ATOM 11645 H2 TIP3 3205 21.979 16.898 29.133 1.00 0.00 SOLV H ATOM 11646 OH2 TIP3 3206 23.274 16.052 28.386 1.00 0.00 SOLV O ATOM 11647 H1 TIP3 3206 23.188 15.118 28.694 1.00 0.00 SOLV H ATOM 11648 H2 TIP3 3206 24.205 16.239 28.644 1.00 0.00 SOLV H ATOM 11649 OH2 TIP3 3207 25.854 16.350 29.319 1.00 0.00 SOLV O ATOM 11650 H1 TIP3 3207 26.074 15.420 29.102 1.00 0.00 SOLV H ATOM 11651 H2 TIP3 3207 25.962 16.336 30.282 1.00 0.00 SOLV H ATOM 11652 OH2 TIP3 3208 29.132 2.531 28.160 1.00 0.00 SOLV O ATOM 11653 H1 TIP3 3208 28.389 1.937 28.400 1.00 0.00 SOLV H ATOM 11654 H2 TIP3 3208 29.787 1.891 27.797 1.00 0.00 SOLV H ATOM 11655 OH2 TIP3 3209 34.945 1.024 28.668 1.00 0.00 SOLV O ATOM 11656 H1 TIP3 3209 35.620 1.310 28.023 1.00 0.00 SOLV H ATOM 11657 H2 TIP3 3209 34.163 1.165 28.116 1.00 0.00 SOLV H ATOM 11658 OH2 TIP3 3210 36.377 1.444 26.395 1.00 0.00 SOLV O ATOM 11659 H1 TIP3 3210 37.009 0.987 25.826 1.00 0.00 SOLV H ATOM 11660 H2 TIP3 3210 36.852 2.301 26.545 1.00 0.00 SOLV H ATOM 11661 OH2 TIP3 3211 21.957 0.781 25.879 1.00 0.00 SOLV O ATOM 11662 H1 TIP3 3211 21.315 0.833 25.155 1.00 0.00 SOLV H ATOM 11663 H2 TIP3 3211 22.320 -0.110 25.778 1.00 0.00 SOLV H ATOM 11664 OH2 TIP3 3212 20.862 0.836 22.074 1.00 0.00 SOLV O ATOM 11665 H1 TIP3 3212 21.197 1.529 21.469 1.00 0.00 SOLV H ATOM 11666 H2 TIP3 3212 20.226 1.335 22.620 1.00 0.00 SOLV H ATOM 11667 OH2 TIP3 3213 26.131 1.579 25.924 1.00 0.00 SOLV O ATOM 11668 H1 TIP3 3213 26.969 1.916 25.539 1.00 0.00 SOLV H ATOM 11669 H2 TIP3 3213 26.400 1.449 26.856 1.00 0.00 SOLV H ATOM 11670 OH2 TIP3 3214 31.084 1.044 26.986 1.00 0.00 SOLV O ATOM 11671 H1 TIP3 3214 31.589 1.473 26.287 1.00 0.00 SOLV H ATOM 11672 H2 TIP3 3214 31.735 0.385 27.328 1.00 0.00 SOLV H ATOM 11673 OH2 TIP3 3215 33.215 1.413 23.283 1.00 0.00 SOLV O ATOM 11674 H1 TIP3 3215 32.274 1.650 23.384 1.00 0.00 SOLV H ATOM 11675 H2 TIP3 3215 33.179 0.438 23.149 1.00 0.00 SOLV H ATOM 11676 OH2 TIP3 3216 20.505 16.952 22.741 1.00 0.00 SOLV O ATOM 11677 H1 TIP3 3216 19.724 16.892 22.160 1.00 0.00 SOLV H ATOM 11678 H2 TIP3 3216 20.734 17.892 22.601 1.00 0.00 SOLV H ATOM 11679 OH2 TIP3 3217 22.372 2.615 20.420 1.00 0.00 SOLV O ATOM 11680 H1 TIP3 3217 22.852 2.071 19.760 1.00 0.00 SOLV H ATOM 11681 H2 TIP3 3217 23.112 2.892 21.002 1.00 0.00 SOLV H ATOM 11682 OH2 TIP3 3218 27.275 3.003 22.792 1.00 0.00 SOLV O ATOM 11683 H1 TIP3 3218 27.655 2.314 23.366 1.00 0.00 SOLV H ATOM 11684 H2 TIP3 3218 27.544 3.795 23.309 1.00 0.00 SOLV H ATOM 11685 OH2 TIP3 3219 29.288 17.821 21.072 1.00 0.00 SOLV O ATOM 11686 H1 TIP3 3219 30.257 17.952 20.977 1.00 0.00 SOLV H ATOM 11687 H2 TIP3 3219 29.136 17.264 20.271 1.00 0.00 SOLV H ATOM 11688 OH2 TIP3 3220 35.575 17.489 23.950 1.00 0.00 SOLV O ATOM 11689 H1 TIP3 3220 35.593 16.589 23.550 1.00 0.00 SOLV H ATOM 11690 H2 TIP3 3220 35.771 18.042 23.170 1.00 0.00 SOLV H ATOM 11691 OH2 TIP3 3221 21.761 1.849 35.381 1.00 0.00 SOLV O ATOM 11692 H1 TIP3 3221 21.128 1.140 35.208 1.00 0.00 SOLV H ATOM 11693 H2 TIP3 3221 22.401 1.410 35.978 1.00 0.00 SOLV H ATOM 11694 OH2 TIP3 3222 23.723 1.233 37.329 1.00 0.00 SOLV O ATOM 11695 H1 TIP3 3222 24.531 1.526 36.891 1.00 0.00 SOLV H ATOM 11696 H2 TIP3 3222 23.996 0.370 37.715 1.00 0.00 SOLV H ATOM 11697 OH2 TIP3 3223 22.291 17.560 19.514 1.00 0.00 SOLV O ATOM 11698 H1 TIP3 3223 22.206 17.517 20.475 1.00 0.00 SOLV H ATOM 11699 H2 TIP3 3223 23.080 16.984 19.365 1.00 0.00 SOLV H ATOM 11700 OH2 TIP3 3224 35.158 16.019 36.183 1.00 0.00 SOLV O ATOM 11701 H1 TIP3 3224 34.355 15.818 35.691 1.00 0.00 SOLV H ATOM 11702 H2 TIP3 3224 35.171 16.980 36.216 1.00 0.00 SOLV H ATOM 11703 OH2 TIP3 3225 49.815 10.184 25.798 1.00 0.00 SOLV O ATOM 11704 H1 TIP3 3225 49.659 11.144 25.680 1.00 0.00 SOLV H ATOM 11705 H2 TIP3 3225 49.085 9.821 25.266 1.00 0.00 SOLV H ATOM 11706 OH2 TIP3 3226 48.786 9.291 29.564 1.00 0.00 SOLV O ATOM 11707 H1 TIP3 3226 48.870 8.858 30.435 1.00 0.00 SOLV H ATOM 11708 H2 TIP3 3226 48.256 8.635 29.077 1.00 0.00 SOLV H ATOM 11709 OH2 TIP3 3227 40.673 9.121 31.180 1.00 0.00 SOLV O ATOM 11710 H1 TIP3 3227 41.108 8.327 31.521 1.00 0.00 SOLV H ATOM 11711 H2 TIP3 3227 41.341 9.818 31.389 1.00 0.00 SOLV H ATOM 11712 OH2 TIP3 3228 52.407 12.407 27.839 1.00 0.00 SOLV O ATOM 11713 H1 TIP3 3228 51.836 11.719 28.211 1.00 0.00 SOLV H ATOM 11714 H2 TIP3 3228 52.581 12.972 28.611 1.00 0.00 SOLV H ATOM 11715 OH2 TIP3 3229 38.635 6.707 24.568 1.00 0.00 SOLV O ATOM 11716 H1 TIP3 3229 38.313 7.557 24.910 1.00 0.00 SOLV H ATOM 11717 H2 TIP3 3229 38.004 6.569 23.835 1.00 0.00 SOLV H ATOM 11718 OH2 TIP3 3230 39.027 9.121 27.281 1.00 0.00 SOLV O ATOM 11719 H1 TIP3 3230 39.340 8.202 27.412 1.00 0.00 SOLV H ATOM 11720 H2 TIP3 3230 39.859 9.613 27.506 1.00 0.00 SOLV H ATOM 11721 OH2 TIP3 3231 49.644 17.484 28.277 1.00 0.00 SOLV O ATOM 11722 H1 TIP3 3231 50.059 16.824 27.683 1.00 0.00 SOLV H ATOM 11723 H2 TIP3 3231 49.109 16.918 28.848 1.00 0.00 SOLV H ATOM 11724 OH2 TIP3 3232 47.079 11.867 29.802 1.00 0.00 SOLV O ATOM 11725 H1 TIP3 3232 47.446 11.059 29.419 1.00 0.00 SOLV H ATOM 11726 H2 TIP3 3232 47.777 12.073 30.452 1.00 0.00 SOLV H ATOM 11727 OH2 TIP3 3233 55.737 3.357 30.665 1.00 0.00 SOLV O ATOM 11728 H1 TIP3 3233 55.945 4.094 31.276 1.00 0.00 SOLV H ATOM 11729 H2 TIP3 3233 56.233 3.606 29.867 1.00 0.00 SOLV H ATOM 11730 OH2 TIP3 3234 50.233 6.142 29.993 1.00 0.00 SOLV O ATOM 11731 H1 TIP3 3234 50.394 5.185 30.078 1.00 0.00 SOLV H ATOM 11732 H2 TIP3 3234 50.021 6.208 29.041 1.00 0.00 SOLV H ATOM 11733 OH2 TIP3 3235 43.555 4.219 27.401 1.00 0.00 SOLV O ATOM 11734 H1 TIP3 3235 43.624 5.074 26.924 1.00 0.00 SOLV H ATOM 11735 H2 TIP3 3235 43.093 3.688 26.720 1.00 0.00 SOLV H ATOM 11736 OH2 TIP3 3236 51.328 4.479 25.652 1.00 0.00 SOLV O ATOM 11737 H1 TIP3 3236 51.816 4.144 26.441 1.00 0.00 SOLV H ATOM 11738 H2 TIP3 3236 52.063 4.848 25.131 1.00 0.00 SOLV H ATOM 11739 OH2 TIP3 3237 39.900 6.618 28.015 1.00 0.00 SOLV O ATOM 11740 H1 TIP3 3237 40.568 6.250 28.627 1.00 0.00 SOLV H ATOM 11741 H2 TIP3 3237 40.234 6.256 27.166 1.00 0.00 SOLV H ATOM 11742 OH2 TIP3 3238 44.957 8.163 27.500 1.00 0.00 SOLV O ATOM 11743 H1 TIP3 3238 45.728 7.715 27.903 1.00 0.00 SOLV H ATOM 11744 H2 TIP3 3238 44.541 7.440 26.984 1.00 0.00 SOLV H ATOM 11745 OH2 TIP3 3239 56.204 5.066 32.802 1.00 0.00 SOLV O ATOM 11746 H1 TIP3 3239 55.386 5.592 32.674 1.00 0.00 SOLV H ATOM 11747 H2 TIP3 3239 56.207 4.970 33.765 1.00 0.00 SOLV H ATOM 11748 OH2 TIP3 3240 42.200 3.257 31.511 1.00 0.00 SOLV O ATOM 11749 H1 TIP3 3240 41.940 3.872 30.798 1.00 0.00 SOLV H ATOM 11750 H2 TIP3 3240 41.489 3.440 32.163 1.00 0.00 SOLV H ATOM 11751 OH2 TIP3 3241 49.481 12.743 24.771 1.00 0.00 SOLV O ATOM 11752 H1 TIP3 3241 49.199 12.823 23.845 1.00 0.00 SOLV H ATOM 11753 H2 TIP3 3241 48.998 13.506 25.166 1.00 0.00 SOLV H ATOM 11754 OH2 TIP3 3242 52.646 3.864 27.950 1.00 0.00 SOLV O ATOM 11755 H1 TIP3 3242 52.100 3.567 28.697 1.00 0.00 SOLV H ATOM 11756 H2 TIP3 3242 53.210 4.533 28.394 1.00 0.00 SOLV H ATOM 11757 OH2 TIP3 3243 41.780 4.988 29.358 1.00 0.00 SOLV O ATOM 11758 H1 TIP3 3243 42.379 5.558 29.895 1.00 0.00 SOLV H ATOM 11759 H2 TIP3 3243 42.421 4.662 28.687 1.00 0.00 SOLV H ATOM 11760 OH2 TIP3 3244 38.946 12.562 23.093 1.00 0.00 SOLV O ATOM 11761 H1 TIP3 3244 38.893 13.098 22.282 1.00 0.00 SOLV H ATOM 11762 H2 TIP3 3244 39.228 13.252 23.741 1.00 0.00 SOLV H ATOM 11763 OH2 TIP3 3245 52.879 14.377 30.014 1.00 0.00 SOLV O ATOM 11764 H1 TIP3 3245 51.910 14.344 30.204 1.00 0.00 SOLV H ATOM 11765 H2 TIP3 3245 52.983 15.322 29.786 1.00 0.00 SOLV H ATOM 11766 OH2 TIP3 3246 53.318 2.654 31.869 1.00 0.00 SOLV O ATOM 11767 H1 TIP3 3246 52.529 2.731 31.311 1.00 0.00 SOLV H ATOM 11768 H2 TIP3 3246 54.040 2.853 31.232 1.00 0.00 SOLV H ATOM 11769 OH2 TIP3 3247 45.773 1.012 28.596 1.00 0.00 SOLV O ATOM 11770 H1 TIP3 3247 46.200 0.278 29.081 1.00 0.00 SOLV H ATOM 11771 H2 TIP3 3247 44.930 1.101 29.090 1.00 0.00 SOLV H ATOM 11772 OH2 TIP3 3248 50.923 15.966 26.331 1.00 0.00 SOLV O ATOM 11773 H1 TIP3 3248 51.333 15.096 26.125 1.00 0.00 SOLV H ATOM 11774 H2 TIP3 3248 51.719 16.540 26.258 1.00 0.00 SOLV H ATOM 11775 OH2 TIP3 3249 52.200 13.714 25.415 1.00 0.00 SOLV O ATOM 11776 H1 TIP3 3249 51.488 13.192 25.007 1.00 0.00 SOLV H ATOM 11777 H2 TIP3 3249 52.398 13.180 26.215 1.00 0.00 SOLV H ATOM 11778 OH2 TIP3 3250 53.922 12.338 33.610 1.00 0.00 SOLV O ATOM 11779 H1 TIP3 3250 53.783 11.740 32.844 1.00 0.00 SOLV H ATOM 11780 H2 TIP3 3250 53.983 13.212 33.172 1.00 0.00 SOLV H ATOM 11781 OH2 TIP3 3251 48.369 9.283 23.595 1.00 0.00 SOLV O ATOM 11782 H1 TIP3 3251 47.701 9.960 23.355 1.00 0.00 SOLV H ATOM 11783 H2 TIP3 3251 49.003 9.364 22.863 1.00 0.00 SOLV H ATOM 11784 OH2 TIP3 3252 48.472 7.992 20.171 1.00 0.00 SOLV O ATOM 11785 H1 TIP3 3252 49.042 8.235 20.924 1.00 0.00 SOLV H ATOM 11786 H2 TIP3 3252 49.067 7.377 19.694 1.00 0.00 SOLV H ATOM 11787 OH2 TIP3 3253 55.637 8.900 31.896 1.00 0.00 SOLV O ATOM 11788 H1 TIP3 3253 54.889 9.535 31.835 1.00 0.00 SOLV H ATOM 11789 H2 TIP3 3253 56.080 9.060 31.049 1.00 0.00 SOLV H ATOM 11790 OH2 TIP3 3254 51.917 9.550 24.214 1.00 0.00 SOLV O ATOM 11791 H1 TIP3 3254 51.207 9.752 24.870 1.00 0.00 SOLV H ATOM 11792 H2 TIP3 3254 52.527 9.027 24.774 1.00 0.00 SOLV H ATOM 11793 OH2 TIP3 3255 51.610 7.604 33.617 1.00 0.00 SOLV O ATOM 11794 H1 TIP3 3255 51.548 8.331 34.265 1.00 0.00 SOLV H ATOM 11795 H2 TIP3 3255 50.910 7.866 32.981 1.00 0.00 SOLV H ATOM 11796 OH2 TIP3 3256 43.513 10.172 26.346 1.00 0.00 SOLV O ATOM 11797 H1 TIP3 3256 43.257 9.789 25.484 1.00 0.00 SOLV H ATOM 11798 H2 TIP3 3256 44.082 9.464 26.725 1.00 0.00 SOLV H ATOM 11799 OH2 TIP3 3257 45.162 13.874 28.971 1.00 0.00 SOLV O ATOM 11800 H1 TIP3 3257 44.854 13.421 28.180 1.00 0.00 SOLV H ATOM 11801 H2 TIP3 3257 45.726 13.184 29.379 1.00 0.00 SOLV H ATOM 11802 OH2 TIP3 3258 44.030 8.837 30.169 1.00 0.00 SOLV O ATOM 11803 H1 TIP3 3258 44.334 9.064 29.278 1.00 0.00 SOLV H ATOM 11804 H2 TIP3 3258 43.731 9.703 30.537 1.00 0.00 SOLV H ATOM 11805 OH2 TIP3 3259 50.289 14.445 30.691 1.00 0.00 SOLV O ATOM 11806 H1 TIP3 3259 50.053 15.118 31.354 1.00 0.00 SOLV H ATOM 11807 H2 TIP3 3259 49.802 13.654 31.003 1.00 0.00 SOLV H ATOM 11808 OH2 TIP3 3260 44.809 13.282 34.494 1.00 0.00 SOLV O ATOM 11809 H1 TIP3 3260 44.138 13.882 34.888 1.00 0.00 SOLV H ATOM 11810 H2 TIP3 3260 44.310 12.885 33.757 1.00 0.00 SOLV H ATOM 11811 OH2 TIP3 3261 50.605 8.763 21.917 1.00 0.00 SOLV O ATOM 11812 H1 TIP3 3261 51.124 9.161 22.651 1.00 0.00 SOLV H ATOM 11813 H2 TIP3 3261 51.133 9.070 21.138 1.00 0.00 SOLV H ATOM 11814 OH2 TIP3 3262 41.604 8.982 34.353 1.00 0.00 SOLV O ATOM 11815 H1 TIP3 3262 41.876 9.872 34.654 1.00 0.00 SOLV H ATOM 11816 H2 TIP3 3262 40.766 9.211 33.906 1.00 0.00 SOLV H ATOM 11817 OH2 TIP3 3263 48.458 15.170 25.449 1.00 0.00 SOLV O ATOM 11818 H1 TIP3 3263 49.271 15.562 25.822 1.00 0.00 SOLV H ATOM 11819 H2 TIP3 3263 48.002 15.933 25.075 1.00 0.00 SOLV H ATOM 11820 OH2 TIP3 3264 42.964 15.134 35.489 1.00 0.00 SOLV O ATOM 11821 H1 TIP3 3264 42.899 15.504 34.578 1.00 0.00 SOLV H ATOM 11822 H2 TIP3 3264 42.019 15.090 35.756 1.00 0.00 SOLV H ATOM 11823 OH2 TIP3 3265 53.802 0.846 21.133 1.00 0.00 SOLV O ATOM 11824 H1 TIP3 3265 53.313 0.999 21.956 1.00 0.00 SOLV H ATOM 11825 H2 TIP3 3265 54.513 1.506 21.185 1.00 0.00 SOLV H ATOM 11826 OH2 TIP3 3266 42.594 9.273 23.712 1.00 0.00 SOLV O ATOM 11827 H1 TIP3 3266 42.015 9.907 23.239 1.00 0.00 SOLV H ATOM 11828 H2 TIP3 3266 42.037 8.488 23.745 1.00 0.00 SOLV H ATOM 11829 OH2 TIP3 3267 55.579 14.716 20.362 1.00 0.00 SOLV O ATOM 11830 H1 TIP3 3267 55.833 15.659 20.444 1.00 0.00 SOLV H ATOM 11831 H2 TIP3 3267 56.448 14.270 20.438 1.00 0.00 SOLV H ATOM 11832 OH2 TIP3 3268 38.425 11.665 32.765 1.00 0.00 SOLV O ATOM 11833 H1 TIP3 3268 38.002 11.598 31.893 1.00 0.00 SOLV H ATOM 11834 H2 TIP3 3268 38.654 10.729 32.960 1.00 0.00 SOLV H ATOM 11835 OH2 TIP3 3269 38.282 14.400 29.660 1.00 0.00 SOLV O ATOM 11836 H1 TIP3 3269 39.124 14.041 29.359 1.00 0.00 SOLV H ATOM 11837 H2 TIP3 3269 38.558 14.883 30.458 1.00 0.00 SOLV H ATOM 11838 OH2 TIP3 3270 56.504 15.195 35.510 1.00 0.00 SOLV O ATOM 11839 H1 TIP3 3270 56.336 14.233 35.446 1.00 0.00 SOLV H ATOM 11840 H2 TIP3 3270 55.613 15.500 35.801 1.00 0.00 SOLV H ATOM 11841 OH2 TIP3 3271 47.277 14.451 34.149 1.00 0.00 SOLV O ATOM 11842 H1 TIP3 3271 47.227 15.311 34.617 1.00 0.00 SOLV H ATOM 11843 H2 TIP3 3271 46.367 14.105 34.291 1.00 0.00 SOLV H ATOM 11844 OH2 TIP3 3272 48.206 18.237 23.976 1.00 0.00 SOLV O ATOM 11845 H1 TIP3 3272 47.844 18.315 23.078 1.00 0.00 SOLV H ATOM 11846 H2 TIP3 3272 47.828 19.025 24.410 1.00 0.00 SOLV H ATOM 11847 OH2 TIP3 3273 41.604 17.108 26.020 1.00 0.00 SOLV O ATOM 11848 H1 TIP3 3273 41.743 16.761 26.921 1.00 0.00 SOLV H ATOM 11849 H2 TIP3 3273 40.659 16.940 25.895 1.00 0.00 SOLV H ATOM 11850 OH2 TIP3 3274 50.909 17.647 20.761 1.00 0.00 SOLV O ATOM 11851 H1 TIP3 3274 51.431 16.894 20.406 1.00 0.00 SOLV H ATOM 11852 H2 TIP3 3274 50.991 17.500 21.728 1.00 0.00 SOLV H ATOM 11853 OH2 TIP3 3275 50.758 17.452 23.527 1.00 0.00 SOLV O ATOM 11854 H1 TIP3 3275 49.816 17.671 23.715 1.00 0.00 SOLV H ATOM 11855 H2 TIP3 3275 50.942 16.821 24.241 1.00 0.00 SOLV H ATOM 11856 OH2 TIP3 3276 53.507 6.442 35.734 1.00 0.00 SOLV O ATOM 11857 H1 TIP3 3276 52.806 6.739 35.134 1.00 0.00 SOLV H ATOM 11858 H2 TIP3 3276 53.607 5.506 35.470 1.00 0.00 SOLV H ATOM 11859 OH2 TIP3 3277 40.246 13.385 34.086 1.00 0.00 SOLV O ATOM 11860 H1 TIP3 3277 40.973 12.793 34.351 1.00 0.00 SOLV H ATOM 11861 H2 TIP3 3277 39.728 12.799 33.502 1.00 0.00 SOLV H ATOM 11862 OH2 TIP3 3278 43.373 1.110 30.132 1.00 0.00 SOLV O ATOM 11863 H1 TIP3 3278 42.614 1.070 29.516 1.00 0.00 SOLV H ATOM 11864 H2 TIP3 3278 43.060 1.846 30.699 1.00 0.00 SOLV H ATOM 11865 OH2 TIP3 3279 48.103 1.669 33.338 1.00 0.00 SOLV O ATOM 11866 H1 TIP3 3279 48.383 0.744 33.335 1.00 0.00 SOLV H ATOM 11867 H2 TIP3 3279 47.132 1.568 33.370 1.00 0.00 SOLV H ATOM 11868 OH2 TIP3 3280 51.220 4.909 34.043 1.00 0.00 SOLV O ATOM 11869 H1 TIP3 3280 50.506 4.827 34.720 1.00 0.00 SOLV H ATOM 11870 H2 TIP3 3280 51.207 5.864 33.828 1.00 0.00 SOLV H ATOM 11871 OH2 TIP3 3281 52.094 9.435 19.764 1.00 0.00 SOLV O ATOM 11872 H1 TIP3 3281 51.957 9.535 18.804 1.00 0.00 SOLV H ATOM 11873 H2 TIP3 3281 53.037 9.681 19.846 1.00 0.00 SOLV H ATOM 11874 OH2 TIP3 3282 47.729 3.528 20.568 1.00 0.00 SOLV O ATOM 11875 H1 TIP3 3282 47.108 3.307 21.293 1.00 0.00 SOLV H ATOM 11876 H2 TIP3 3282 47.387 2.936 19.863 1.00 0.00 SOLV H ATOM 11877 OH2 TIP3 3283 43.473 6.374 31.008 1.00 0.00 SOLV O ATOM 11878 H1 TIP3 3283 42.790 6.540 31.695 1.00 0.00 SOLV H ATOM 11879 H2 TIP3 3283 43.685 7.300 30.726 1.00 0.00 SOLV H ATOM 11880 OH2 TIP3 3284 43.503 6.452 25.883 1.00 0.00 SOLV O ATOM 11881 H1 TIP3 3284 42.529 6.358 25.808 1.00 0.00 SOLV H ATOM 11882 H2 TIP3 3284 43.768 6.208 24.968 1.00 0.00 SOLV H ATOM 11883 OH2 TIP3 3285 49.007 6.833 24.714 1.00 0.00 SOLV O ATOM 11884 H1 TIP3 3285 48.766 7.707 24.336 1.00 0.00 SOLV H ATOM 11885 H2 TIP3 3285 49.677 6.519 24.073 1.00 0.00 SOLV H ATOM 11886 OH2 TIP3 3286 48.122 7.065 35.901 1.00 0.00 SOLV O ATOM 11887 H1 TIP3 3286 47.613 6.306 36.263 1.00 0.00 SOLV H ATOM 11888 H2 TIP3 3286 48.963 6.954 36.383 1.00 0.00 SOLV H ATOM 11889 OH2 TIP3 3287 49.931 6.313 27.278 1.00 0.00 SOLV O ATOM 11890 H1 TIP3 3287 49.481 6.793 26.552 1.00 0.00 SOLV H ATOM 11891 H2 TIP3 3287 50.302 5.577 26.751 1.00 0.00 SOLV H ATOM 11892 OH2 TIP3 3288 41.325 6.609 32.666 1.00 0.00 SOLV O ATOM 11893 H1 TIP3 3288 41.314 7.173 33.458 1.00 0.00 SOLV H ATOM 11894 H2 TIP3 3288 40.894 5.789 32.978 1.00 0.00 SOLV H ATOM 11895 OH2 TIP3 3289 44.450 3.814 19.283 1.00 0.00 SOLV O ATOM 11896 H1 TIP3 3289 44.109 3.705 20.195 1.00 0.00 SOLV H ATOM 11897 H2 TIP3 3289 43.930 4.596 19.002 1.00 0.00 SOLV H ATOM 11898 OH2 TIP3 3290 37.834 3.654 26.663 1.00 0.00 SOLV O ATOM 11899 H1 TIP3 3290 38.416 3.735 27.447 1.00 0.00 SOLV H ATOM 11900 H2 TIP3 3290 38.434 3.834 25.928 1.00 0.00 SOLV H ATOM 11901 OH2 TIP3 3291 38.765 4.430 22.066 1.00 0.00 SOLV O ATOM 11902 H1 TIP3 3291 39.451 4.783 21.460 1.00 0.00 SOLV H ATOM 11903 H2 TIP3 3291 38.224 5.233 22.175 1.00 0.00 SOLV H ATOM 11904 OH2 TIP3 3292 49.313 7.841 31.876 1.00 0.00 SOLV O ATOM 11905 H1 TIP3 3292 49.666 7.203 31.210 1.00 0.00 SOLV H ATOM 11906 H2 TIP3 3292 48.660 7.274 32.339 1.00 0.00 SOLV H ATOM 11907 OH2 TIP3 3293 46.378 4.248 26.918 1.00 0.00 SOLV O ATOM 11908 H1 TIP3 3293 45.455 4.140 27.222 1.00 0.00 SOLV H ATOM 11909 H2 TIP3 3293 46.876 3.763 27.605 1.00 0.00 SOLV H ATOM 11910 OH2 TIP3 3294 40.896 5.645 25.644 1.00 0.00 SOLV O ATOM 11911 H1 TIP3 3294 40.108 5.936 25.125 1.00 0.00 SOLV H ATOM 11912 H2 TIP3 3294 41.126 4.787 25.237 1.00 0.00 SOLV H ATOM 11913 OH2 TIP3 3295 44.149 5.633 23.376 1.00 0.00 SOLV O ATOM 11914 H1 TIP3 3295 45.124 5.631 23.426 1.00 0.00 SOLV H ATOM 11915 H2 TIP3 3295 43.973 6.096 22.522 1.00 0.00 SOLV H ATOM 11916 OH2 TIP3 3296 50.449 3.342 29.935 1.00 0.00 SOLV O ATOM 11917 H1 TIP3 3296 50.008 3.449 30.809 1.00 0.00 SOLV H ATOM 11918 H2 TIP3 3296 49.691 3.032 29.402 1.00 0.00 SOLV H ATOM 11919 OH2 TIP3 3297 43.568 6.696 20.955 1.00 0.00 SOLV O ATOM 11920 H1 TIP3 3297 43.000 6.468 20.197 1.00 0.00 SOLV H ATOM 11921 H2 TIP3 3297 44.314 7.135 20.495 1.00 0.00 SOLV H ATOM 11922 OH2 TIP3 3298 53.858 18.861 36.572 1.00 0.00 SOLV O ATOM 11923 H1 TIP3 3298 54.097 19.307 35.742 1.00 0.00 SOLV H ATOM 11924 H2 TIP3 3298 54.610 19.100 37.148 1.00 0.00 SOLV H ATOM 11925 OH2 TIP3 3299 41.621 11.473 35.874 1.00 0.00 SOLV O ATOM 11926 H1 TIP3 3299 42.235 11.515 36.629 1.00 0.00 SOLV H ATOM 11927 H2 TIP3 3299 40.761 11.509 36.328 1.00 0.00 SOLV H ATOM 11928 OH2 TIP3 3300 47.155 6.894 28.763 1.00 0.00 SOLV O ATOM 11929 H1 TIP3 3300 47.779 6.329 28.288 1.00 0.00 SOLV H ATOM 11930 H2 TIP3 3300 46.793 6.283 29.434 1.00 0.00 SOLV H ATOM 11931 OH2 TIP3 3301 42.199 3.070 25.271 1.00 0.00 SOLV O ATOM 11932 H1 TIP3 3301 41.703 2.264 25.521 1.00 0.00 SOLV H ATOM 11933 H2 TIP3 3301 42.969 2.685 24.828 1.00 0.00 SOLV H ATOM 11934 OH2 TIP3 3302 46.026 5.439 31.084 1.00 0.00 SOLV O ATOM 11935 H1 TIP3 3302 45.140 5.864 31.075 1.00 0.00 SOLV H ATOM 11936 H2 TIP3 3302 46.463 5.862 31.848 1.00 0.00 SOLV H ATOM 11937 OH2 TIP3 3303 46.536 11.247 22.828 1.00 0.00 SOLV O ATOM 11938 H1 TIP3 3303 45.768 10.829 22.382 1.00 0.00 SOLV H ATOM 11939 H2 TIP3 3303 46.127 11.508 23.692 1.00 0.00 SOLV H ATOM 11940 OH2 TIP3 3304 53.622 10.703 31.399 1.00 0.00 SOLV O ATOM 11941 H1 TIP3 3304 54.128 11.258 30.778 1.00 0.00 SOLV H ATOM 11942 H2 TIP3 3304 52.834 10.462 30.857 1.00 0.00 SOLV H ATOM 11943 OH2 TIP3 3305 50.295 4.203 20.917 1.00 0.00 SOLV O ATOM 11944 H1 TIP3 3305 49.318 4.066 20.841 1.00 0.00 SOLV H ATOM 11945 H2 TIP3 3305 50.368 4.947 21.546 1.00 0.00 SOLV H ATOM 11946 OH2 TIP3 3306 48.163 11.788 34.004 1.00 0.00 SOLV O ATOM 11947 H1 TIP3 3306 48.012 11.349 34.848 1.00 0.00 SOLV H ATOM 11948 H2 TIP3 3306 47.752 12.663 34.137 1.00 0.00 SOLV H ATOM 11949 OH2 TIP3 3307 50.938 6.129 22.837 1.00 0.00 SOLV O ATOM 11950 H1 TIP3 3307 51.848 5.996 23.161 1.00 0.00 SOLV H ATOM 11951 H2 TIP3 3307 50.973 7.037 22.474 1.00 0.00 SOLV H ATOM 11952 OH2 TIP3 3308 41.285 10.259 28.123 1.00 0.00 SOLV O ATOM 11953 H1 TIP3 3308 42.088 10.284 27.565 1.00 0.00 SOLV H ATOM 11954 H2 TIP3 3308 41.635 10.436 29.010 1.00 0.00 SOLV H ATOM 11955 OH2 TIP3 3309 48.572 12.821 21.938 1.00 0.00 SOLV O ATOM 11956 H1 TIP3 3309 48.196 13.729 22.030 1.00 0.00 SOLV H ATOM 11957 H2 TIP3 3309 47.811 12.267 22.222 1.00 0.00 SOLV H ATOM 11958 OH2 TIP3 3310 38.786 9.179 33.942 1.00 0.00 SOLV O ATOM 11959 H1 TIP3 3310 38.746 8.805 34.842 1.00 0.00 SOLV H ATOM 11960 H2 TIP3 3310 38.159 8.610 33.466 1.00 0.00 SOLV H ATOM 11961 OH2 TIP3 3311 45.895 8.822 36.089 1.00 0.00 SOLV O ATOM 11962 H1 TIP3 3311 45.274 8.461 35.428 1.00 0.00 SOLV H ATOM 11963 H2 TIP3 3311 46.717 8.350 35.846 1.00 0.00 SOLV H ATOM 11964 OH2 TIP3 3312 50.183 14.245 33.997 1.00 0.00 SOLV O ATOM 11965 H1 TIP3 3312 49.214 14.252 33.899 1.00 0.00 SOLV H ATOM 11966 H2 TIP3 3312 50.268 14.479 34.946 1.00 0.00 SOLV H ATOM 11967 OH2 TIP3 3313 55.734 6.558 22.452 1.00 0.00 SOLV O ATOM 11968 H1 TIP3 3313 55.281 6.351 21.598 1.00 0.00 SOLV H ATOM 11969 H2 TIP3 3313 55.954 7.494 22.252 1.00 0.00 SOLV H ATOM 11970 OH2 TIP3 3314 56.153 12.356 35.190 1.00 0.00 SOLV O ATOM 11971 H1 TIP3 3314 55.229 12.442 34.866 1.00 0.00 SOLV H ATOM 11972 H2 TIP3 3314 56.606 12.148 34.343 1.00 0.00 SOLV H ATOM 11973 OH2 TIP3 3315 54.426 15.069 22.958 1.00 0.00 SOLV O ATOM 11974 H1 TIP3 3315 53.747 14.453 23.273 1.00 0.00 SOLV H ATOM 11975 H2 TIP3 3315 54.597 14.761 22.050 1.00 0.00 SOLV H ATOM 11976 OH2 TIP3 3316 51.540 9.970 29.691 1.00 0.00 SOLV O ATOM 11977 H1 TIP3 3316 50.570 9.871 29.595 1.00 0.00 SOLV H ATOM 11978 H2 TIP3 3316 51.843 9.208 29.159 1.00 0.00 SOLV H ATOM 11979 OH2 TIP3 3317 44.078 14.359 25.832 1.00 0.00 SOLV O ATOM 11980 H1 TIP3 3317 44.323 15.270 25.573 1.00 0.00 SOLV H ATOM 11981 H2 TIP3 3317 43.146 14.341 25.591 1.00 0.00 SOLV H ATOM 11982 OH2 TIP3 3318 39.901 8.953 20.613 1.00 0.00 SOLV O ATOM 11983 H1 TIP3 3318 40.369 9.641 21.134 1.00 0.00 SOLV H ATOM 11984 H2 TIP3 3318 39.000 9.018 21.004 1.00 0.00 SOLV H ATOM 11985 OH2 TIP3 3319 45.274 11.968 25.090 1.00 0.00 SOLV O ATOM 11986 H1 TIP3 3319 44.993 12.841 25.435 1.00 0.00 SOLV H ATOM 11987 H2 TIP3 3319 44.724 11.370 25.632 1.00 0.00 SOLV H ATOM 11988 OH2 TIP3 3320 45.966 16.189 31.794 1.00 0.00 SOLV O ATOM 11989 H1 TIP3 3320 46.672 16.846 31.631 1.00 0.00 SOLV H ATOM 11990 H2 TIP3 3320 46.450 15.489 32.254 1.00 0.00 SOLV H ATOM 11991 OH2 TIP3 3321 44.140 17.061 24.928 1.00 0.00 SOLV O ATOM 11992 H1 TIP3 3321 43.206 17.205 25.199 1.00 0.00 SOLV H ATOM 11993 H2 TIP3 3321 44.563 17.869 25.297 1.00 0.00 SOLV H ATOM 11994 OH2 TIP3 3322 49.233 11.988 31.531 1.00 0.00 SOLV O ATOM 11995 H1 TIP3 3322 48.833 11.863 32.423 1.00 0.00 SOLV H ATOM 11996 H2 TIP3 3322 49.846 11.243 31.495 1.00 0.00 SOLV H ATOM 11997 OH2 TIP3 3323 51.943 13.240 20.713 1.00 0.00 SOLV O ATOM 11998 H1 TIP3 3323 52.210 12.712 21.504 1.00 0.00 SOLV H ATOM 11999 H2 TIP3 3323 51.001 13.013 20.654 1.00 0.00 SOLV H ATOM 12000 OH2 TIP3 3324 52.204 16.460 33.819 1.00 0.00 SOLV O ATOM 12001 H1 TIP3 3324 51.365 16.042 33.533 1.00 0.00 SOLV H ATOM 12002 H2 TIP3 3324 52.243 17.242 33.228 1.00 0.00 SOLV H ATOM 12003 OH2 TIP3 3325 56.276 17.362 20.890 1.00 0.00 SOLV O ATOM 12004 H1 TIP3 3325 56.830 18.110 20.616 1.00 0.00 SOLV H ATOM 12005 H2 TIP3 3325 55.468 17.847 21.160 1.00 0.00 SOLV H ATOM 12006 OH2 TIP3 3326 40.190 3.989 33.261 1.00 0.00 SOLV O ATOM 12007 H1 TIP3 3326 39.277 3.872 32.935 1.00 0.00 SOLV H ATOM 12008 H2 TIP3 3326 40.224 3.260 33.907 1.00 0.00 SOLV H ATOM 12009 OH2 TIP3 3327 52.842 11.737 22.794 1.00 0.00 SOLV O ATOM 12010 H1 TIP3 3327 52.405 11.061 23.349 1.00 0.00 SOLV H ATOM 12011 H2 TIP3 3327 53.778 11.538 22.989 1.00 0.00 SOLV H ATOM 12012 OH2 TIP3 3328 40.024 15.403 31.785 1.00 0.00 SOLV O ATOM 12013 H1 TIP3 3328 40.471 14.561 31.976 1.00 0.00 SOLV H ATOM 12014 H2 TIP3 3328 40.244 15.872 32.602 1.00 0.00 SOLV H ATOM 12015 OH2 TIP3 3329 45.818 14.158 19.161 1.00 0.00 SOLV O ATOM 12016 H1 TIP3 3329 45.829 13.272 18.752 1.00 0.00 SOLV H ATOM 12017 H2 TIP3 3329 45.330 13.977 19.990 1.00 0.00 SOLV H ATOM 12018 OH2 TIP3 3330 44.507 13.835 21.570 1.00 0.00 SOLV O ATOM 12019 H1 TIP3 3330 44.976 13.318 22.239 1.00 0.00 SOLV H ATOM 12020 H2 TIP3 3330 44.633 14.752 21.907 1.00 0.00 SOLV H ATOM 12021 OH2 TIP3 3331 40.960 10.950 22.187 1.00 0.00 SOLV O ATOM 12022 H1 TIP3 3331 40.225 11.405 22.654 1.00 0.00 SOLV H ATOM 12023 H2 TIP3 3331 41.354 11.711 21.717 1.00 0.00 SOLV H ATOM 12024 OH2 TIP3 3332 49.316 3.893 32.368 1.00 0.00 SOLV O ATOM 12025 H1 TIP3 3332 50.062 4.066 32.977 1.00 0.00 SOLV H ATOM 12026 H2 TIP3 3332 48.881 3.110 32.782 1.00 0.00 SOLV H ATOM 12027 OH2 TIP3 3333 49.795 3.012 23.813 1.00 0.00 SOLV O ATOM 12028 H1 TIP3 3333 49.926 3.421 22.944 1.00 0.00 SOLV H ATOM 12029 H2 TIP3 3333 50.231 3.657 24.411 1.00 0.00 SOLV H ATOM 12030 OH2 TIP3 3334 47.538 15.306 22.178 1.00 0.00 SOLV O ATOM 12031 H1 TIP3 3334 46.612 15.562 22.364 1.00 0.00 SOLV H ATOM 12032 H2 TIP3 3334 47.894 16.171 21.914 1.00 0.00 SOLV H ATOM 12033 OH2 TIP3 3335 46.788 5.198 24.352 1.00 0.00 SOLV O ATOM 12034 H1 TIP3 3335 47.540 5.808 24.505 1.00 0.00 SOLV H ATOM 12035 H2 TIP3 3335 46.586 4.932 25.275 1.00 0.00 SOLV H ATOM 12036 OH2 TIP3 3336 47.666 6.161 33.253 1.00 0.00 SOLV O ATOM 12037 H1 TIP3 3336 47.815 6.395 34.193 1.00 0.00 SOLV H ATOM 12038 H2 TIP3 3336 48.081 5.282 33.178 1.00 0.00 SOLV H ATOM 12039 OH2 TIP3 3337 47.512 2.248 25.085 1.00 0.00 SOLV O ATOM 12040 H1 TIP3 3337 47.618 2.919 25.776 1.00 0.00 SOLV H ATOM 12041 H2 TIP3 3337 48.345 2.369 24.580 1.00 0.00 SOLV H ATOM 12042 OH2 TIP3 3338 45.037 16.344 22.460 1.00 0.00 SOLV O ATOM 12043 H1 TIP3 3338 45.018 17.203 21.978 1.00 0.00 SOLV H ATOM 12044 H2 TIP3 3338 44.693 16.622 23.341 1.00 0.00 SOLV H ATOM 12045 OH2 TIP3 3339 43.579 3.382 21.873 1.00 0.00 SOLV O ATOM 12046 H1 TIP3 3339 43.510 4.159 22.465 1.00 0.00 SOLV H ATOM 12047 H2 TIP3 3339 44.461 3.054 22.155 1.00 0.00 SOLV H ATOM 12048 OH2 TIP3 3340 53.719 3.963 34.353 1.00 0.00 SOLV O ATOM 12049 H1 TIP3 3340 52.763 4.188 34.312 1.00 0.00 SOLV H ATOM 12050 H2 TIP3 3340 53.793 3.527 33.484 1.00 0.00 SOLV H ATOM 12051 OH2 TIP3 3341 52.309 7.663 28.195 1.00 0.00 SOLV O ATOM 12052 H1 TIP3 3341 51.432 7.263 28.038 1.00 0.00 SOLV H ATOM 12053 H2 TIP3 3341 52.738 6.986 28.761 1.00 0.00 SOLV H ATOM 12054 OH2 TIP3 3342 41.828 13.235 20.765 1.00 0.00 SOLV O ATOM 12055 H1 TIP3 3342 42.594 13.693 21.164 1.00 0.00 SOLV H ATOM 12056 H2 TIP3 3342 42.311 12.683 20.111 1.00 0.00 SOLV H ATOM 12057 OH2 TIP3 3343 39.829 6.219 20.279 1.00 0.00 SOLV O ATOM 12058 H1 TIP3 3343 40.016 7.153 20.498 1.00 0.00 SOLV H ATOM 12059 H2 TIP3 3343 39.308 6.303 19.474 1.00 0.00 SOLV H ATOM 12060 OH2 TIP3 3344 53.504 17.122 29.969 1.00 0.00 SOLV O ATOM 12061 H1 TIP3 3344 53.362 17.801 29.271 1.00 0.00 SOLV H ATOM 12062 H2 TIP3 3344 54.483 17.113 30.023 1.00 0.00 SOLV H ATOM 12063 OH2 TIP3 3345 40.950 0.990 28.631 1.00 0.00 SOLV O ATOM 12064 H1 TIP3 3345 40.833 1.026 27.663 1.00 0.00 SOLV H ATOM 12065 H2 TIP3 3345 41.122 0.025 28.739 1.00 0.00 SOLV H ATOM 12066 OH2 TIP3 3346 39.550 14.791 24.489 1.00 0.00 SOLV O ATOM 12067 H1 TIP3 3346 39.218 15.219 25.291 1.00 0.00 SOLV H ATOM 12068 H2 TIP3 3346 39.565 15.542 23.851 1.00 0.00 SOLV H ATOM 12069 OH2 TIP3 3347 39.062 17.695 36.146 1.00 0.00 SOLV O ATOM 12070 H1 TIP3 3347 39.722 17.695 36.863 1.00 0.00 SOLV H ATOM 12071 H2 TIP3 3347 38.949 16.740 36.007 1.00 0.00 SOLV H ATOM 12072 OH2 TIP3 3348 43.547 16.313 37.877 1.00 0.00 SOLV O ATOM 12073 H1 TIP3 3348 44.379 15.850 38.050 1.00 0.00 SOLV H ATOM 12074 H2 TIP3 3348 43.336 15.938 36.995 1.00 0.00 SOLV H ATOM 12075 OH2 TIP3 3349 47.872 15.961 19.061 1.00 0.00 SOLV O ATOM 12076 H1 TIP3 3349 47.137 15.312 19.174 1.00 0.00 SOLV H ATOM 12077 H2 TIP3 3349 48.612 15.362 18.862 1.00 0.00 SOLV H ATOM 12078 OH2 TIP3 3350 50.196 14.853 36.676 1.00 0.00 SOLV O ATOM 12079 H1 TIP3 3350 49.906 14.037 37.148 1.00 0.00 SOLV H ATOM 12080 H2 TIP3 3350 50.929 15.160 37.245 1.00 0.00 SOLV H ATOM 12081 OH2 TIP3 3351 52.277 15.633 19.473 1.00 0.00 SOLV O ATOM 12082 H1 TIP3 3351 52.288 14.780 19.963 1.00 0.00 SOLV H ATOM 12083 H2 TIP3 3351 53.041 15.546 18.875 1.00 0.00 SOLV H ATOM 12084 OH2 TIP3 3352 39.092 11.505 37.149 1.00 0.00 SOLV O ATOM 12085 H1 TIP3 3352 39.107 10.532 37.039 1.00 0.00 SOLV H ATOM 12086 H2 TIP3 3352 38.411 11.764 36.490 1.00 0.00 SOLV H ATOM 12087 OH2 TIP3 3353 43.280 11.467 19.341 1.00 0.00 SOLV O ATOM 12088 H1 TIP3 3353 43.603 10.978 20.126 1.00 0.00 SOLV H ATOM 12089 H2 TIP3 3353 44.119 11.555 18.840 1.00 0.00 SOLV H ATOM 12090 OH2 TIP3 3354 45.495 11.653 36.637 1.00 0.00 SOLV O ATOM 12091 H1 TIP3 3354 45.308 12.084 35.775 1.00 0.00 SOLV H ATOM 12092 H2 TIP3 3354 45.688 10.730 36.371 1.00 0.00 SOLV H ATOM 12093 OH2 TIP3 3355 49.131 12.868 19.251 1.00 0.00 SOLV O ATOM 12094 H1 TIP3 3355 48.812 12.801 20.175 1.00 0.00 SOLV H ATOM 12095 H2 TIP3 3355 48.982 11.946 18.941 1.00 0.00 SOLV H ATOM 12096 OH2 TIP3 3356 51.328 11.515 34.262 1.00 0.00 SOLV O ATOM 12097 H1 TIP3 3356 52.204 11.917 34.117 1.00 0.00 SOLV H ATOM 12098 H2 TIP3 3356 50.737 12.261 34.054 1.00 0.00 SOLV H ATOM 12099 OH2 TIP3 3357 39.775 8.824 36.752 1.00 0.00 SOLV O ATOM 12100 H1 TIP3 3357 40.628 8.612 36.339 1.00 0.00 SOLV H ATOM 12101 H2 TIP3 3357 39.976 8.778 37.710 1.00 0.00 SOLV H ATOM 12102 OH2 TIP3 3358 44.426 9.951 21.569 1.00 0.00 SOLV O ATOM 12103 H1 TIP3 3358 43.894 9.520 22.267 1.00 0.00 SOLV H ATOM 12104 H2 TIP3 3358 44.816 9.186 21.098 1.00 0.00 SOLV H ATOM 12105 OH2 TIP3 3359 44.042 7.650 34.143 1.00 0.00 SOLV O ATOM 12106 H1 TIP3 3359 43.227 8.190 34.068 1.00 0.00 SOLV H ATOM 12107 H2 TIP3 3359 44.662 8.154 33.561 1.00 0.00 SOLV H ATOM 12108 OH2 TIP3 3360 45.684 8.063 19.890 1.00 0.00 SOLV O ATOM 12109 H1 TIP3 3360 45.721 8.407 18.975 1.00 0.00 SOLV H ATOM 12110 H2 TIP3 3360 46.635 7.893 20.055 1.00 0.00 SOLV H ATOM 12111 OH2 TIP3 3361 48.978 10.217 37.443 1.00 0.00 SOLV O ATOM 12112 H1 TIP3 3361 49.681 9.743 36.981 1.00 0.00 SOLV H ATOM 12113 H2 TIP3 3361 48.558 9.503 37.956 1.00 0.00 SOLV H ATOM 12114 OH2 TIP3 3362 54.737 10.168 19.488 1.00 0.00 SOLV O ATOM 12115 H1 TIP3 3362 54.744 9.974 18.529 1.00 0.00 SOLV H ATOM 12116 H2 TIP3 3362 54.579 11.140 19.444 1.00 0.00 SOLV H ATOM 12117 OH2 TIP3 3363 44.419 5.130 34.977 1.00 0.00 SOLV O ATOM 12118 H1 TIP3 3363 44.474 4.553 34.188 1.00 0.00 SOLV H ATOM 12119 H2 TIP3 3363 44.298 6.018 34.562 1.00 0.00 SOLV H ATOM 12120 OH2 TIP3 3364 44.656 3.502 32.718 1.00 0.00 SOLV O ATOM 12121 H1 TIP3 3364 45.186 4.008 32.070 1.00 0.00 SOLV H ATOM 12122 H2 TIP3 3364 43.778 3.485 32.277 1.00 0.00 SOLV H ATOM 12123 OH2 TIP3 3365 45.888 9.037 32.839 1.00 0.00 SOLV O ATOM 12124 H1 TIP3 3365 46.785 8.886 32.527 1.00 0.00 SOLV H ATOM 12125 H2 TIP3 3365 45.551 9.720 32.237 1.00 0.00 SOLV H ATOM 12126 OH2 TIP3 3366 50.375 6.635 37.597 1.00 0.00 SOLV O ATOM 12127 H1 TIP3 3366 50.650 5.707 37.647 1.00 0.00 SOLV H ATOM 12128 H2 TIP3 3366 51.223 7.093 37.510 1.00 0.00 SOLV H ATOM 12129 OH2 TIP3 3367 51.833 9.439 35.901 1.00 0.00 SOLV O ATOM 12130 H1 TIP3 3367 51.523 10.210 35.366 1.00 0.00 SOLV H ATOM 12131 H2 TIP3 3367 52.804 9.549 35.803 1.00 0.00 SOLV H ATOM 12132 OH2 TIP3 3368 42.825 5.782 37.237 1.00 0.00 SOLV O ATOM 12133 H1 TIP3 3368 41.987 5.304 37.056 1.00 0.00 SOLV H ATOM 12134 H2 TIP3 3368 43.264 5.739 36.364 1.00 0.00 SOLV H ATOM 12135 OH2 TIP3 3369 45.415 0.932 33.431 1.00 0.00 SOLV O ATOM 12136 H1 TIP3 3369 45.118 1.853 33.252 1.00 0.00 SOLV H ATOM 12137 H2 TIP3 3369 44.780 0.421 32.917 1.00 0.00 SOLV H ATOM 12138 OH2 TIP3 3370 46.645 4.874 36.571 1.00 0.00 SOLV O ATOM 12139 H1 TIP3 3370 46.190 4.495 37.343 1.00 0.00 SOLV H ATOM 12140 H2 TIP3 3370 45.884 4.934 35.952 1.00 0.00 SOLV H ATOM 12141 OH2 TIP3 3371 49.298 4.291 35.815 1.00 0.00 SOLV O ATOM 12142 H1 TIP3 3371 48.369 4.279 36.123 1.00 0.00 SOLV H ATOM 12143 H2 TIP3 3371 49.717 3.613 36.374 1.00 0.00 SOLV H ATOM 12144 OH2 TIP3 3372 50.999 2.796 37.620 1.00 0.00 SOLV O ATOM 12145 H1 TIP3 3372 50.694 1.900 37.795 1.00 0.00 SOLV H ATOM 12146 H2 TIP3 3372 50.800 3.245 38.473 1.00 0.00 SOLV H ATOM 12147 OH2 TIP3 3373 40.656 4.120 36.894 1.00 0.00 SOLV O ATOM 12148 H1 TIP3 3373 40.650 3.320 36.324 1.00 0.00 SOLV H ATOM 12149 H2 TIP3 3373 40.688 3.720 37.786 1.00 0.00 SOLV H ATOM 12150 OH2 TIP3 3374 46.413 1.903 37.699 1.00 0.00 SOLV O ATOM 12151 H1 TIP3 3374 46.085 1.062 37.352 1.00 0.00 SOLV H ATOM 12152 H2 TIP3 3374 45.614 2.466 37.746 1.00 0.00 SOLV H ATOM 12153 OH2 TIP3 3375 45.540 18.675 21.060 1.00 0.00 SOLV O ATOM 12154 H1 TIP3 3375 46.490 18.465 21.025 1.00 0.00 SOLV H ATOM 12155 H2 TIP3 3375 45.519 19.479 20.513 1.00 0.00 SOLV H ATOM 12156 OH2 TIP3 3376 39.132 13.430 20.331 1.00 0.00 SOLV O ATOM 12157 H1 TIP3 3376 40.100 13.447 20.502 1.00 0.00 SOLV H ATOM 12158 H2 TIP3 3376 39.061 12.659 19.728 1.00 0.00 SOLV H ATOM 12159 OH2 TIP3 3377 38.962 16.324 27.161 1.00 0.00 SOLV O ATOM 12160 H1 TIP3 3377 38.316 15.729 27.562 1.00 0.00 SOLV H ATOM 12161 H2 TIP3 3377 39.175 16.886 27.926 1.00 0.00 SOLV H ATOM 12162 OH2 TIP3 3378 56.213 17.239 30.480 1.00 0.00 SOLV O ATOM 12163 H1 TIP3 3378 56.144 17.363 31.448 1.00 0.00 SOLV H ATOM 12164 H2 TIP3 3378 56.936 17.842 30.251 1.00 0.00 SOLV H ATOM 12165 OH2 TIP3 3379 55.659 17.015 33.229 1.00 0.00 SOLV O ATOM 12166 H1 TIP3 3379 55.072 16.299 32.898 1.00 0.00 SOLV H ATOM 12167 H2 TIP3 3379 56.119 16.528 33.932 1.00 0.00 SOLV H ATOM 12168 OH2 TIP3 3380 54.124 12.768 37.991 1.00 0.00 SOLV O ATOM 12169 H1 TIP3 3380 53.282 12.881 38.478 1.00 0.00 SOLV H ATOM 12170 H2 TIP3 3380 54.647 13.517 38.341 1.00 0.00 SOLV H ATOM 12171 OH2 TIP3 3381 55.486 11.031 23.412 1.00 0.00 SOLV O ATOM 12172 H1 TIP3 3381 56.229 11.661 23.439 1.00 0.00 SOLV H ATOM 12173 H2 TIP3 3381 55.646 10.491 24.212 1.00 0.00 SOLV H ATOM 12174 OH2 TIP3 3382 55.904 9.159 25.482 1.00 0.00 SOLV O ATOM 12175 H1 TIP3 3382 55.022 8.733 25.380 1.00 0.00 SOLV H ATOM 12176 H2 TIP3 3382 55.907 9.281 26.438 1.00 0.00 SOLV H ATOM 12177 OH2 TIP3 3383 56.027 11.885 30.371 1.00 0.00 SOLV O ATOM 12178 H1 TIP3 3383 56.564 11.266 29.837 1.00 0.00 SOLV H ATOM 12179 H2 TIP3 3383 56.177 12.737 29.923 1.00 0.00 SOLV H ATOM 12180 OH2 TIP3 3384 54.046 14.886 32.487 1.00 0.00 SOLV O ATOM 12181 H1 TIP3 3384 53.282 15.315 32.924 1.00 0.00 SOLV H ATOM 12182 H2 TIP3 3384 53.691 14.703 31.590 1.00 0.00 SOLV H ATOM 12183 OH2 TIP3 3385 56.195 9.131 21.545 1.00 0.00 SOLV O ATOM 12184 H1 TIP3 3385 55.672 9.364 20.742 1.00 0.00 SOLV H ATOM 12185 H2 TIP3 3385 55.838 9.800 22.166 1.00 0.00 SOLV H ATOM 12186 OH2 TIP3 3386 54.591 6.311 19.993 1.00 0.00 SOLV O ATOM 12187 H1 TIP3 3386 54.393 6.787 19.177 1.00 0.00 SOLV H ATOM 12188 H2 TIP3 3386 54.311 5.407 19.729 1.00 0.00 SOLV H ATOM 12189 OH2 TIP3 3387 53.524 7.892 25.732 1.00 0.00 SOLV O ATOM 12190 H1 TIP3 3387 53.463 6.973 25.410 1.00 0.00 SOLV H ATOM 12191 H2 TIP3 3387 53.117 7.826 26.627 1.00 0.00 SOLV H ATOM 12192 OH2 TIP3 3388 38.452 9.864 29.868 1.00 0.00 SOLV O ATOM 12193 H1 TIP3 3388 38.644 9.619 28.937 1.00 0.00 SOLV H ATOM 12194 H2 TIP3 3388 39.317 9.639 30.295 1.00 0.00 SOLV H ATOM 12195 OH2 TIP3 3389 54.581 9.787 35.671 1.00 0.00 SOLV O ATOM 12196 H1 TIP3 3389 55.173 9.017 35.519 1.00 0.00 SOLV H ATOM 12197 H2 TIP3 3389 55.046 10.500 35.211 1.00 0.00 SOLV H ATOM 12198 OH2 TIP3 3390 56.013 7.477 35.519 1.00 0.00 SOLV O ATOM 12199 H1 TIP3 3390 55.115 7.094 35.628 1.00 0.00 SOLV H ATOM 12200 H2 TIP3 3390 56.550 6.690 35.760 1.00 0.00 SOLV H ATOM 12201 OH2 TIP3 3391 53.793 3.868 19.087 1.00 0.00 SOLV O ATOM 12202 H1 TIP3 3391 54.381 3.389 19.711 1.00 0.00 SOLV H ATOM 12203 H2 TIP3 3391 53.031 3.275 19.015 1.00 0.00 SOLV H ATOM 12204 OH2 TIP3 3392 53.510 5.499 24.121 1.00 0.00 SOLV O ATOM 12205 H1 TIP3 3392 53.788 4.552 24.186 1.00 0.00 SOLV H ATOM 12206 H2 TIP3 3392 54.251 5.843 23.586 1.00 0.00 SOLV H ATOM 12207 OH2 TIP3 3393 53.804 5.765 29.566 1.00 0.00 SOLV O ATOM 12208 H1 TIP3 3393 54.759 5.971 29.456 1.00 0.00 SOLV H ATOM 12209 H2 TIP3 3393 53.721 5.902 30.532 1.00 0.00 SOLV H ATOM 12210 OH2 TIP3 3394 54.030 6.652 32.246 1.00 0.00 SOLV O ATOM 12211 H1 TIP3 3394 53.220 6.997 32.665 1.00 0.00 SOLV H ATOM 12212 H2 TIP3 3394 54.580 7.460 32.173 1.00 0.00 SOLV H ATOM 12213 OH2 TIP3 3395 38.268 5.038 35.935 1.00 0.00 SOLV O ATOM 12214 H1 TIP3 3395 39.191 4.850 36.208 1.00 0.00 SOLV H ATOM 12215 H2 TIP3 3395 37.863 4.159 36.073 1.00 0.00 SOLV H ATOM 12216 OH2 TIP3 3396 56.424 0.914 37.974 1.00 0.00 SOLV O ATOM 12217 H1 TIP3 3396 57.154 0.311 37.757 1.00 0.00 SOLV H ATOM 12218 H2 TIP3 3396 56.212 1.320 37.109 1.00 0.00 SOLV H ATOM 12219 OH2 TIP3 3397 54.151 2.852 24.251 1.00 0.00 SOLV O ATOM 12220 H1 TIP3 3397 54.309 2.327 25.060 1.00 0.00 SOLV H ATOM 12221 H2 TIP3 3397 53.393 2.356 23.862 1.00 0.00 SOLV H ATOM 12222 OH2 TIP3 3398 39.443 3.416 28.879 1.00 0.00 SOLV O ATOM 12223 H1 TIP3 3398 39.879 2.547 28.973 1.00 0.00 SOLV H ATOM 12224 H2 TIP3 3398 40.180 4.022 29.083 1.00 0.00 SOLV H ATOM 12225 OH2 TIP3 3399 37.612 6.328 29.612 1.00 0.00 SOLV O ATOM 12226 H1 TIP3 3399 38.350 6.417 28.976 1.00 0.00 SOLV H ATOM 12227 H2 TIP3 3399 37.910 6.892 30.337 1.00 0.00 SOLV H ATOM 12228 OH2 TIP3 3400 55.758 2.625 35.784 1.00 0.00 SOLV O ATOM 12229 H1 TIP3 3400 54.922 3.125 35.847 1.00 0.00 SOLV H ATOM 12230 H2 TIP3 3400 55.758 2.416 34.836 1.00 0.00 SOLV H ATOM 12231 OH2 TIP3 3401 55.709 2.825 20.784 1.00 0.00 SOLV O ATOM 12232 H1 TIP3 3401 56.066 2.025 20.342 1.00 0.00 SOLV H ATOM 12233 H2 TIP3 3401 56.516 3.167 21.217 1.00 0.00 SOLV H ATOM 12234 OH2 TIP3 3402 38.123 2.535 23.885 1.00 0.00 SOLV O ATOM 12235 H1 TIP3 3402 37.157 2.681 23.879 1.00 0.00 SOLV H ATOM 12236 H2 TIP3 3402 38.420 3.279 23.315 1.00 0.00 SOLV H ATOM 12237 OH2 TIP3 3403 52.960 17.678 25.898 1.00 0.00 SOLV O ATOM 12238 H1 TIP3 3403 53.696 17.680 25.253 1.00 0.00 SOLV H ATOM 12239 H2 TIP3 3403 53.344 18.154 26.653 1.00 0.00 SOLV H ATOM 12240 OH2 TIP3 3404 38.209 2.002 32.713 1.00 0.00 SOLV O ATOM 12241 H1 TIP3 3404 37.975 1.064 32.654 1.00 0.00 SOLV H ATOM 12242 H2 TIP3 3404 37.826 2.359 31.892 1.00 0.00 SOLV H ATOM 12243 OH2 TIP3 3405 40.395 14.963 36.367 1.00 0.00 SOLV O ATOM 12244 H1 TIP3 3405 40.110 14.442 35.585 1.00 0.00 SOLV H ATOM 12245 H2 TIP3 3405 39.984 14.492 37.100 1.00 0.00 SOLV H ATOM 12246 OH2 TIP3 3406 43.195 15.952 32.902 1.00 0.00 SOLV O ATOM 12247 H1 TIP3 3406 43.242 16.853 32.522 1.00 0.00 SOLV H ATOM 12248 H2 TIP3 3406 43.956 15.544 32.463 1.00 0.00 SOLV H ATOM 12249 OH2 TIP3 3407 47.398 16.934 35.472 1.00 0.00 SOLV O ATOM 12250 H1 TIP3 3407 47.578 16.629 36.386 1.00 0.00 SOLV H ATOM 12251 H2 TIP3 3407 48.220 17.427 35.274 1.00 0.00 SOLV H ATOM 12252 OH2 TIP3 3408 49.690 18.402 35.000 1.00 0.00 SOLV O ATOM 12253 H1 TIP3 3408 50.361 17.825 34.610 1.00 0.00 SOLV H ATOM 12254 H2 TIP3 3408 50.145 18.694 35.820 1.00 0.00 SOLV H ATOM 12255 OH2 TIP3 3409 54.277 0.649 33.433 1.00 0.00 SOLV O ATOM 12256 H1 TIP3 3409 53.945 1.435 32.948 1.00 0.00 SOLV H ATOM 12257 H2 TIP3 3409 54.324 -0.001 32.718 1.00 0.00 SOLV H ATOM 12258 OH2 TIP3 3410 40.605 18.828 32.762 1.00 0.00 SOLV O ATOM 12259 H1 TIP3 3410 39.747 19.067 32.402 1.00 0.00 SOLV H ATOM 12260 H2 TIP3 3410 40.413 18.663 33.695 1.00 0.00 SOLV H ATOM 12261 OH2 TIP3 3411 43.187 18.477 31.834 1.00 0.00 SOLV O ATOM 12262 H1 TIP3 3411 42.261 18.642 32.119 1.00 0.00 SOLV H ATOM 12263 H2 TIP3 3411 43.237 19.005 31.013 1.00 0.00 SOLV H ATOM 12264 OH2 TIP3 3412 47.762 18.170 31.005 1.00 0.00 SOLV O ATOM 12265 H1 TIP3 3412 47.254 18.542 30.259 1.00 0.00 SOLV H ATOM 12266 H2 TIP3 3412 47.825 18.938 31.608 1.00 0.00 SOLV H ATOM 12267 OH2 TIP3 3413 50.060 16.970 32.021 1.00 0.00 SOLV O ATOM 12268 H1 TIP3 3413 49.238 17.340 31.640 1.00 0.00 SOLV H ATOM 12269 H2 TIP3 3413 50.706 17.655 31.793 1.00 0.00 SOLV H ATOM 12270 OH2 TIP3 3414 52.522 18.584 32.069 1.00 0.00 SOLV O ATOM 12271 H1 TIP3 3414 52.626 19.513 31.775 1.00 0.00 SOLV H ATOM 12272 H2 TIP3 3414 52.880 18.090 31.298 1.00 0.00 SOLV H ATOM 12273 OH2 TIP3 3415 39.798 17.196 29.726 1.00 0.00 SOLV O ATOM 12274 H1 TIP3 3415 39.917 16.645 30.530 1.00 0.00 SOLV H ATOM 12275 H2 TIP3 3415 40.660 17.016 29.296 1.00 0.00 SOLV H ATOM 12276 OH2 TIP3 3416 42.184 16.215 28.581 1.00 0.00 SOLV O ATOM 12277 H1 TIP3 3416 42.329 15.259 28.620 1.00 0.00 SOLV H ATOM 12278 H2 TIP3 3416 43.086 16.527 28.815 1.00 0.00 SOLV H ATOM 12279 OH2 TIP3 3417 44.859 16.552 29.317 1.00 0.00 SOLV O ATOM 12280 H1 TIP3 3417 45.022 15.617 29.044 1.00 0.00 SOLV H ATOM 12281 H2 TIP3 3417 45.147 16.468 30.253 1.00 0.00 SOLV H ATOM 12282 OH2 TIP3 3418 48.075 2.533 28.330 1.00 0.00 SOLV O ATOM 12283 H1 TIP3 3418 47.288 1.967 28.480 1.00 0.00 SOLV H ATOM 12284 H2 TIP3 3418 48.670 1.912 27.851 1.00 0.00 SOLV H ATOM 12285 OH2 TIP3 3419 53.906 0.962 28.687 1.00 0.00 SOLV O ATOM 12286 H1 TIP3 3419 54.555 1.247 28.012 1.00 0.00 SOLV H ATOM 12287 H2 TIP3 3419 53.102 1.168 28.189 1.00 0.00 SOLV H ATOM 12288 OH2 TIP3 3420 55.271 1.472 26.395 1.00 0.00 SOLV O ATOM 12289 H1 TIP3 3420 55.912 0.999 25.846 1.00 0.00 SOLV H ATOM 12290 H2 TIP3 3420 55.719 2.342 26.519 1.00 0.00 SOLV H ATOM 12291 OH2 TIP3 3421 40.767 0.778 25.823 1.00 0.00 SOLV O ATOM 12292 H1 TIP3 3421 40.111 0.920 25.123 1.00 0.00 SOLV H ATOM 12293 H2 TIP3 3421 41.080 -0.118 25.635 1.00 0.00 SOLV H ATOM 12294 OH2 TIP3 3422 39.477 0.857 22.165 1.00 0.00 SOLV O ATOM 12295 H1 TIP3 3422 39.949 1.394 21.511 1.00 0.00 SOLV H ATOM 12296 H2 TIP3 3422 39.037 1.525 22.718 1.00 0.00 SOLV H ATOM 12297 OH2 TIP3 3423 45.021 1.528 25.923 1.00 0.00 SOLV O ATOM 12298 H1 TIP3 3423 45.860 1.858 25.538 1.00 0.00 SOLV H ATOM 12299 H2 TIP3 3423 45.272 1.446 26.865 1.00 0.00 SOLV H ATOM 12300 OH2 TIP3 3424 49.951 1.045 26.987 1.00 0.00 SOLV O ATOM 12301 H1 TIP3 3424 50.406 1.491 26.267 1.00 0.00 SOLV H ATOM 12302 H2 TIP3 3424 50.628 0.392 27.288 1.00 0.00 SOLV H ATOM 12303 OH2 TIP3 3425 52.066 1.399 23.312 1.00 0.00 SOLV O ATOM 12304 H1 TIP3 3425 51.128 1.654 23.415 1.00 0.00 SOLV H ATOM 12305 H2 TIP3 3425 52.017 0.427 23.177 1.00 0.00 SOLV H ATOM 12306 OH2 TIP3 3426 39.467 16.898 22.768 1.00 0.00 SOLV O ATOM 12307 H1 TIP3 3426 38.686 16.819 22.193 1.00 0.00 SOLV H ATOM 12308 H2 TIP3 3426 39.651 17.849 22.678 1.00 0.00 SOLV H ATOM 12309 OH2 TIP3 3427 41.231 2.731 20.388 1.00 0.00 SOLV O ATOM 12310 H1 TIP3 3427 41.691 2.135 19.763 1.00 0.00 SOLV H ATOM 12311 H2 TIP3 3427 41.957 2.954 21.006 1.00 0.00 SOLV H ATOM 12312 OH2 TIP3 3428 46.170 2.992 22.767 1.00 0.00 SOLV O ATOM 12313 H1 TIP3 3428 46.507 2.280 23.340 1.00 0.00 SOLV H ATOM 12314 H2 TIP3 3428 46.433 3.768 23.308 1.00 0.00 SOLV H ATOM 12315 OH2 TIP3 3429 48.156 17.811 21.051 1.00 0.00 SOLV O ATOM 12316 H1 TIP3 3429 49.119 17.956 20.953 1.00 0.00 SOLV H ATOM 12317 H2 TIP3 3429 47.994 17.254 20.255 1.00 0.00 SOLV H ATOM 12318 OH2 TIP3 3430 54.989 17.526 24.005 1.00 0.00 SOLV O ATOM 12319 H1 TIP3 3430 54.813 16.608 23.687 1.00 0.00 SOLV H ATOM 12320 H2 TIP3 3430 54.744 18.042 23.210 1.00 0.00 SOLV H ATOM 12321 OH2 TIP3 3431 40.573 1.833 35.415 1.00 0.00 SOLV O ATOM 12322 H1 TIP3 3431 39.983 1.115 35.148 1.00 0.00 SOLV H ATOM 12323 H2 TIP3 3431 41.218 1.377 35.989 1.00 0.00 SOLV H ATOM 12324 OH2 TIP3 3432 42.601 1.257 37.343 1.00 0.00 SOLV O ATOM 12325 H1 TIP3 3432 43.370 1.571 36.852 1.00 0.00 SOLV H ATOM 12326 H2 TIP3 3432 42.916 0.402 37.713 1.00 0.00 SOLV H ATOM 12327 OH2 TIP3 3433 41.118 17.554 19.523 1.00 0.00 SOLV O ATOM 12328 H1 TIP3 3433 40.979 17.579 20.480 1.00 0.00 SOLV H ATOM 12329 H2 TIP3 3433 41.929 16.996 19.447 1.00 0.00 SOLV H ATOM 12330 OH2 TIP3 3434 53.967 16.169 35.971 1.00 0.00 SOLV O ATOM 12331 H1 TIP3 3434 53.311 16.144 35.242 1.00 0.00 SOLV H ATOM 12332 H2 TIP3 3434 53.869 17.097 36.265 1.00 0.00 SOLV H ATOM 12333 OH2 TIP3 3435 68.439 9.747 25.600 1.00 0.00 SOLV O ATOM 12334 H1 TIP3 3435 68.530 10.660 25.919 1.00 0.00 SOLV H ATOM 12335 H2 TIP3 3435 67.785 9.882 24.902 1.00 0.00 SOLV H ATOM 12336 OH2 TIP3 3436 67.043 9.599 29.541 1.00 0.00 SOLV O ATOM 12337 H1 TIP3 3436 67.886 9.146 29.761 1.00 0.00 SOLV H ATOM 12338 H2 TIP3 3436 66.729 9.025 28.830 1.00 0.00 SOLV H ATOM 12339 OH2 TIP3 3437 59.706 8.979 30.995 1.00 0.00 SOLV O ATOM 12340 H1 TIP3 3437 59.684 8.223 31.613 1.00 0.00 SOLV H ATOM 12341 H2 TIP3 3437 60.650 9.000 30.745 1.00 0.00 SOLV H ATOM 12342 OH2 TIP3 3438 60.936 13.395 29.132 1.00 0.00 SOLV O ATOM 12343 H1 TIP3 3438 60.725 12.836 29.890 1.00 0.00 SOLV H ATOM 12344 H2 TIP3 3438 61.918 13.371 29.133 1.00 0.00 SOLV H ATOM 12345 OH2 TIP3 3439 57.518 6.869 24.582 1.00 0.00 SOLV O ATOM 12346 H1 TIP3 3439 57.029 7.629 24.938 1.00 0.00 SOLV H ATOM 12347 H2 TIP3 3439 56.911 6.573 23.876 1.00 0.00 SOLV H ATOM 12348 OH2 TIP3 3440 67.559 17.468 27.965 1.00 0.00 SOLV O ATOM 12349 H1 TIP3 3440 68.479 17.244 27.703 1.00 0.00 SOLV H ATOM 12350 H2 TIP3 3440 67.513 17.144 28.876 1.00 0.00 SOLV H ATOM 12351 OH2 TIP3 3441 65.594 11.913 29.902 1.00 0.00 SOLV O ATOM 12352 H1 TIP3 3441 65.988 11.025 29.737 1.00 0.00 SOLV H ATOM 12353 H2 TIP3 3441 66.380 12.322 30.317 1.00 0.00 SOLV H ATOM 12354 OH2 TIP3 3442 68.660 5.271 30.294 1.00 0.00 SOLV O ATOM 12355 H1 TIP3 3442 68.850 4.369 30.017 1.00 0.00 SOLV H ATOM 12356 H2 TIP3 3442 68.561 5.719 29.439 1.00 0.00 SOLV H ATOM 12357 OH2 TIP3 3443 62.331 4.259 27.385 1.00 0.00 SOLV O ATOM 12358 H1 TIP3 3443 62.467 5.087 26.886 1.00 0.00 SOLV H ATOM 12359 H2 TIP3 3443 61.897 3.707 26.698 1.00 0.00 SOLV H ATOM 12360 OH2 TIP3 3444 58.775 6.795 28.126 1.00 0.00 SOLV O ATOM 12361 H1 TIP3 3444 59.430 6.270 28.623 1.00 0.00 SOLV H ATOM 12362 H2 TIP3 3444 58.970 6.489 27.219 1.00 0.00 SOLV H ATOM 12363 OH2 TIP3 3445 63.622 8.235 27.645 1.00 0.00 SOLV O ATOM 12364 H1 TIP3 3445 64.425 7.761 27.967 1.00 0.00 SOLV H ATOM 12365 H2 TIP3 3445 63.251 7.553 27.040 1.00 0.00 SOLV H ATOM 12366 OH2 TIP3 3446 61.050 3.257 31.503 1.00 0.00 SOLV O ATOM 12367 H1 TIP3 3446 60.764 3.842 30.776 1.00 0.00 SOLV H ATOM 12368 H2 TIP3 3446 60.336 3.428 32.155 1.00 0.00 SOLV H ATOM 12369 OH2 TIP3 3447 67.971 12.719 24.937 1.00 0.00 SOLV O ATOM 12370 H1 TIP3 3447 67.927 12.883 23.980 1.00 0.00 SOLV H ATOM 12371 H2 TIP3 3447 67.756 13.605 25.293 1.00 0.00 SOLV H ATOM 12372 OH2 TIP3 3448 63.648 10.963 31.483 1.00 0.00 SOLV O ATOM 12373 H1 TIP3 3448 63.137 11.712 31.863 1.00 0.00 SOLV H ATOM 12374 H2 TIP3 3448 64.344 11.434 30.976 1.00 0.00 SOLV H ATOM 12375 OH2 TIP3 3449 60.607 4.984 29.342 1.00 0.00 SOLV O ATOM 12376 H1 TIP3 3449 61.222 5.524 29.888 1.00 0.00 SOLV H ATOM 12377 H2 TIP3 3449 61.239 4.651 28.662 1.00 0.00 SOLV H ATOM 12378 OH2 TIP3 3450 62.078 13.032 32.480 1.00 0.00 SOLV O ATOM 12379 H1 TIP3 3450 62.093 14.011 32.408 1.00 0.00 SOLV H ATOM 12380 H2 TIP3 3450 61.156 12.903 32.795 1.00 0.00 SOLV H ATOM 12381 OH2 TIP3 3451 57.943 12.543 23.236 1.00 0.00 SOLV O ATOM 12382 H1 TIP3 3451 57.742 12.937 22.358 1.00 0.00 SOLV H ATOM 12383 H2 TIP3 3451 58.158 13.356 23.747 1.00 0.00 SOLV H ATOM 12384 OH2 TIP3 3452 64.496 1.014 28.538 1.00 0.00 SOLV O ATOM 12385 H1 TIP3 3452 64.853 0.243 29.029 1.00 0.00 SOLV H ATOM 12386 H2 TIP3 3452 63.657 1.154 29.029 1.00 0.00 SOLV H ATOM 12387 OH2 TIP3 3453 67.262 9.466 22.977 1.00 0.00 SOLV O ATOM 12388 H1 TIP3 3453 66.443 9.994 22.876 1.00 0.00 SOLV H ATOM 12389 H2 TIP3 3453 67.926 10.140 22.768 1.00 0.00 SOLV H ATOM 12390 OH2 TIP3 3454 67.093 7.766 20.148 1.00 0.00 SOLV O ATOM 12391 H1 TIP3 3454 67.384 7.835 21.066 1.00 0.00 SOLV H ATOM 12392 H2 TIP3 3454 67.492 6.936 19.845 1.00 0.00 SOLV H ATOM 12393 OH2 TIP3 3455 62.167 10.085 26.386 1.00 0.00 SOLV O ATOM 12394 H1 TIP3 3455 62.180 9.484 25.620 1.00 0.00 SOLV H ATOM 12395 H2 TIP3 3455 62.675 9.521 27.024 1.00 0.00 SOLV H ATOM 12396 OH2 TIP3 3456 63.634 13.602 28.948 1.00 0.00 SOLV O ATOM 12397 H1 TIP3 3456 63.823 13.568 27.998 1.00 0.00 SOLV H ATOM 12398 H2 TIP3 3456 64.323 12.999 29.314 1.00 0.00 SOLV H ATOM 12399 OH2 TIP3 3457 62.402 8.948 30.088 1.00 0.00 SOLV O ATOM 12400 H1 TIP3 3457 62.915 8.798 29.267 1.00 0.00 SOLV H ATOM 12401 H2 TIP3 3457 62.920 9.656 30.532 1.00 0.00 SOLV H ATOM 12402 OH2 TIP3 3458 68.457 14.809 31.209 1.00 0.00 SOLV O ATOM 12403 H1 TIP3 3458 69.310 15.007 31.621 1.00 0.00 SOLV H ATOM 12404 H2 TIP3 3458 68.272 13.912 31.441 1.00 0.00 SOLV H ATOM 12405 OH2 TIP3 3459 63.612 13.257 34.775 1.00 0.00 SOLV O ATOM 12406 H1 TIP3 3459 62.973 13.903 35.153 1.00 0.00 SOLV H ATOM 12407 H2 TIP3 3459 63.142 13.012 33.952 1.00 0.00 SOLV H ATOM 12408 OH2 TIP3 3460 60.550 9.280 34.208 1.00 0.00 SOLV O ATOM 12409 H1 TIP3 3460 60.597 10.102 34.735 1.00 0.00 SOLV H ATOM 12410 H2 TIP3 3460 59.598 9.272 33.978 1.00 0.00 SOLV H ATOM 12411 OH2 TIP3 3461 67.396 15.479 25.530 1.00 0.00 SOLV O ATOM 12412 H1 TIP3 3461 67.317 15.984 26.355 1.00 0.00 SOLV H ATOM 12413 H2 TIP3 3461 67.198 16.173 24.878 1.00 0.00 SOLV H ATOM 12414 OH2 TIP3 3462 61.732 15.166 35.406 1.00 0.00 SOLV O ATOM 12415 H1 TIP3 3462 61.676 15.500 34.490 1.00 0.00 SOLV H ATOM 12416 H2 TIP3 3462 60.784 15.043 35.644 1.00 0.00 SOLV H ATOM 12417 OH2 TIP3 3463 60.747 9.403 24.067 1.00 0.00 SOLV O ATOM 12418 H1 TIP3 3463 60.552 9.835 23.204 1.00 0.00 SOLV H ATOM 12419 H2 TIP3 3463 60.802 8.469 23.816 1.00 0.00 SOLV H ATOM 12420 OH2 TIP3 3464 57.294 11.650 32.837 1.00 0.00 SOLV O ATOM 12421 H1 TIP3 3464 56.766 11.690 32.010 1.00 0.00 SOLV H ATOM 12422 H2 TIP3 3464 57.459 10.689 32.936 1.00 0.00 SOLV H ATOM 12423 OH2 TIP3 3465 57.172 14.602 29.455 1.00 0.00 SOLV O ATOM 12424 H1 TIP3 3465 58.004 14.581 29.954 1.00 0.00 SOLV H ATOM 12425 H2 TIP3 3465 56.681 15.280 29.949 1.00 0.00 SOLV H ATOM 12426 OH2 TIP3 3466 66.000 14.434 34.165 1.00 0.00 SOLV O ATOM 12427 H1 TIP3 3466 65.993 15.270 34.658 1.00 0.00 SOLV H ATOM 12428 H2 TIP3 3466 65.147 14.033 34.436 1.00 0.00 SOLV H ATOM 12429 OH2 TIP3 3467 66.783 18.100 24.021 1.00 0.00 SOLV O ATOM 12430 H1 TIP3 3467 66.784 18.239 23.064 1.00 0.00 SOLV H ATOM 12431 H2 TIP3 3467 66.708 19.000 24.376 1.00 0.00 SOLV H ATOM 12432 OH2 TIP3 3468 60.344 17.123 25.986 1.00 0.00 SOLV O ATOM 12433 H1 TIP3 3468 60.584 16.778 26.874 1.00 0.00 SOLV H ATOM 12434 H2 TIP3 3468 59.621 16.524 25.742 1.00 0.00 SOLV H ATOM 12435 OH2 TIP3 3469 59.532 13.092 33.491 1.00 0.00 SOLV O ATOM 12436 H1 TIP3 3469 59.749 12.702 34.362 1.00 0.00 SOLV H ATOM 12437 H2 TIP3 3469 58.722 12.587 33.259 1.00 0.00 SOLV H ATOM 12438 OH2 TIP3 3470 62.186 1.140 30.086 1.00 0.00 SOLV O ATOM 12439 H1 TIP3 3470 61.421 1.070 29.480 1.00 0.00 SOLV H ATOM 12440 H2 TIP3 3470 61.852 1.846 30.677 1.00 0.00 SOLV H ATOM 12441 OH2 TIP3 3471 66.862 1.389 33.314 1.00 0.00 SOLV O ATOM 12442 H1 TIP3 3471 67.128 0.485 33.573 1.00 0.00 SOLV H ATOM 12443 H2 TIP3 3471 65.893 1.290 33.325 1.00 0.00 SOLV H ATOM 12444 OH2 TIP3 3472 66.714 3.477 20.696 1.00 0.00 SOLV O ATOM 12445 H1 TIP3 3472 66.032 3.215 21.341 1.00 0.00 SOLV H ATOM 12446 H2 TIP3 3472 66.409 2.984 19.908 1.00 0.00 SOLV H ATOM 12447 OH2 TIP3 3473 62.263 6.412 31.005 1.00 0.00 SOLV O ATOM 12448 H1 TIP3 3473 61.587 6.507 31.708 1.00 0.00 SOLV H ATOM 12449 H2 TIP3 3473 62.359 7.346 30.714 1.00 0.00 SOLV H ATOM 12450 OH2 TIP3 3474 62.269 6.598 25.877 1.00 0.00 SOLV O ATOM 12451 H1 TIP3 3474 61.315 6.358 25.866 1.00 0.00 SOLV H ATOM 12452 H2 TIP3 3474 62.528 6.257 24.990 1.00 0.00 SOLV H ATOM 12453 OH2 TIP3 3475 67.505 6.911 24.404 1.00 0.00 SOLV O ATOM 12454 H1 TIP3 3475 67.271 7.854 24.445 1.00 0.00 SOLV H ATOM 12455 H2 TIP3 3475 67.518 6.763 23.451 1.00 0.00 SOLV H ATOM 12456 OH2 TIP3 3476 67.085 6.990 35.856 1.00 0.00 SOLV O ATOM 12457 H1 TIP3 3476 66.574 6.267 36.282 1.00 0.00 SOLV H ATOM 12458 H2 TIP3 3476 67.998 6.734 36.065 1.00 0.00 SOLV H ATOM 12459 OH2 TIP3 3477 68.127 5.996 27.556 1.00 0.00 SOLV O ATOM 12460 H1 TIP3 3477 68.214 6.696 26.900 1.00 0.00 SOLV H ATOM 12461 H2 TIP3 3477 68.560 5.249 27.092 1.00 0.00 SOLV H ATOM 12462 OH2 TIP3 3478 60.029 6.612 32.605 1.00 0.00 SOLV O ATOM 12463 H1 TIP3 3478 60.264 6.995 33.462 1.00 0.00 SOLV H ATOM 12464 H2 TIP3 3478 59.624 5.756 32.869 1.00 0.00 SOLV H ATOM 12465 OH2 TIP3 3479 63.373 3.847 19.293 1.00 0.00 SOLV O ATOM 12466 H1 TIP3 3479 62.990 3.719 20.186 1.00 0.00 SOLV H ATOM 12467 H2 TIP3 3479 62.798 4.572 18.965 1.00 0.00 SOLV H ATOM 12468 OH2 TIP3 3480 56.684 3.743 26.631 1.00 0.00 SOLV O ATOM 12469 H1 TIP3 3480 57.339 3.730 27.357 1.00 0.00 SOLV H ATOM 12470 H2 TIP3 3480 57.210 3.581 25.832 1.00 0.00 SOLV H ATOM 12471 OH2 TIP3 3481 57.665 4.410 22.108 1.00 0.00 SOLV O ATOM 12472 H1 TIP3 3481 58.325 4.774 21.482 1.00 0.00 SOLV H ATOM 12473 H2 TIP3 3481 57.055 5.168 22.158 1.00 0.00 SOLV H ATOM 12474 OH2 TIP3 3482 68.271 7.685 32.300 1.00 0.00 SOLV O ATOM 12475 H1 TIP3 3482 68.476 7.200 31.479 1.00 0.00 SOLV H ATOM 12476 H2 TIP3 3482 67.498 7.175 32.612 1.00 0.00 SOLV H ATOM 12477 OH2 TIP3 3483 65.042 4.247 26.953 1.00 0.00 SOLV O ATOM 12478 H1 TIP3 3483 64.167 4.094 27.357 1.00 0.00 SOLV H ATOM 12479 H2 TIP3 3483 65.640 3.779 27.567 1.00 0.00 SOLV H ATOM 12480 OH2 TIP3 3484 59.725 5.683 25.684 1.00 0.00 SOLV O ATOM 12481 H1 TIP3 3484 58.933 5.978 25.176 1.00 0.00 SOLV H ATOM 12482 H2 TIP3 3484 59.889 4.791 25.323 1.00 0.00 SOLV H ATOM 12483 OH2 TIP3 3485 62.785 5.696 23.379 1.00 0.00 SOLV O ATOM 12484 H1 TIP3 3485 63.748 5.545 23.498 1.00 0.00 SOLV H ATOM 12485 H2 TIP3 3485 62.724 6.107 22.487 1.00 0.00 SOLV H ATOM 12486 OH2 TIP3 3486 62.387 6.916 20.968 1.00 0.00 SOLV O ATOM 12487 H1 TIP3 3486 61.817 6.542 20.269 1.00 0.00 SOLV H ATOM 12488 H2 TIP3 3486 63.124 7.255 20.418 1.00 0.00 SOLV H ATOM 12489 OH2 TIP3 3487 60.358 11.596 35.859 1.00 0.00 SOLV O ATOM 12490 H1 TIP3 3487 61.016 11.595 36.580 1.00 0.00 SOLV H ATOM 12491 H2 TIP3 3487 59.530 11.531 36.376 1.00 0.00 SOLV H ATOM 12492 OH2 TIP3 3488 65.691 6.794 28.623 1.00 0.00 SOLV O ATOM 12493 H1 TIP3 3488 66.514 6.430 28.239 1.00 0.00 SOLV H ATOM 12494 H2 TIP3 3488 65.518 6.145 29.330 1.00 0.00 SOLV H ATOM 12495 OH2 TIP3 3489 61.044 3.021 25.308 1.00 0.00 SOLV O ATOM 12496 H1 TIP3 3489 60.453 2.271 25.546 1.00 0.00 SOLV H ATOM 12497 H2 TIP3 3489 61.789 2.522 24.939 1.00 0.00 SOLV H ATOM 12498 OH2 TIP3 3490 64.779 5.325 31.100 1.00 0.00 SOLV O ATOM 12499 H1 TIP3 3490 63.928 5.809 31.087 1.00 0.00 SOLV H ATOM 12500 H2 TIP3 3490 65.256 5.751 31.845 1.00 0.00 SOLV H ATOM 12501 OH2 TIP3 3491 65.224 11.333 22.794 1.00 0.00 SOLV O ATOM 12502 H1 TIP3 3491 64.475 10.856 22.370 1.00 0.00 SOLV H ATOM 12503 H2 TIP3 3491 64.829 11.532 23.679 1.00 0.00 SOLV H ATOM 12504 OH2 TIP3 3492 66.959 11.791 33.780 1.00 0.00 SOLV O ATOM 12505 H1 TIP3 3492 66.796 11.458 34.667 1.00 0.00 SOLV H ATOM 12506 H2 TIP3 3492 66.761 12.745 33.876 1.00 0.00 SOLV H ATOM 12507 OH2 TIP3 3493 67.479 12.790 22.140 1.00 0.00 SOLV O ATOM 12508 H1 TIP3 3493 67.120 13.709 22.112 1.00 0.00 SOLV H ATOM 12509 H2 TIP3 3493 66.660 12.288 22.336 1.00 0.00 SOLV H ATOM 12510 OH2 TIP3 3494 57.769 9.094 33.900 1.00 0.00 SOLV O ATOM 12511 H1 TIP3 3494 57.605 8.741 34.796 1.00 0.00 SOLV H ATOM 12512 H2 TIP3 3494 57.053 8.659 33.403 1.00 0.00 SOLV H ATOM 12513 OH2 TIP3 3495 64.839 8.789 36.017 1.00 0.00 SOLV O ATOM 12514 H1 TIP3 3495 64.259 8.446 35.317 1.00 0.00 SOLV H ATOM 12515 H2 TIP3 3495 65.664 8.296 35.832 1.00 0.00 SOLV H ATOM 12516 OH2 TIP3 3496 63.015 14.326 25.965 1.00 0.00 SOLV O ATOM 12517 H1 TIP3 3496 63.463 15.155 25.711 1.00 0.00 SOLV H ATOM 12518 H2 TIP3 3496 62.100 14.599 25.841 1.00 0.00 SOLV H ATOM 12519 OH2 TIP3 3497 58.772 8.926 20.632 1.00 0.00 SOLV O ATOM 12520 H1 TIP3 3497 59.202 9.672 21.095 1.00 0.00 SOLV H ATOM 12521 H2 TIP3 3497 57.855 8.989 20.987 1.00 0.00 SOLV H ATOM 12522 OH2 TIP3 3498 63.930 11.865 25.105 1.00 0.00 SOLV O ATOM 12523 H1 TIP3 3498 63.728 12.764 25.438 1.00 0.00 SOLV H ATOM 12524 H2 TIP3 3498 63.543 11.302 25.795 1.00 0.00 SOLV H ATOM 12525 OH2 TIP3 3499 64.890 16.030 31.806 1.00 0.00 SOLV O ATOM 12526 H1 TIP3 3499 65.535 16.719 31.512 1.00 0.00 SOLV H ATOM 12527 H2 TIP3 3499 65.498 15.393 32.224 1.00 0.00 SOLV H ATOM 12528 OH2 TIP3 3500 62.966 17.047 24.978 1.00 0.00 SOLV O ATOM 12529 H1 TIP3 3500 62.040 17.234 25.229 1.00 0.00 SOLV H ATOM 12530 H2 TIP3 3500 63.411 17.860 25.312 1.00 0.00 SOLV H ATOM 12531 OH2 TIP3 3501 67.944 12.152 31.247 1.00 0.00 SOLV O ATOM 12532 H1 TIP3 3501 67.652 11.703 32.089 1.00 0.00 SOLV H ATOM 12533 H2 TIP3 3501 68.467 11.439 30.792 1.00 0.00 SOLV H ATOM 12534 OH2 TIP3 3502 59.039 4.023 33.225 1.00 0.00 SOLV O ATOM 12535 H1 TIP3 3502 58.110 3.934 32.938 1.00 0.00 SOLV H ATOM 12536 H2 TIP3 3502 59.074 3.307 33.886 1.00 0.00 SOLV H ATOM 12537 OH2 TIP3 3503 58.928 15.504 31.682 1.00 0.00 SOLV O ATOM 12538 H1 TIP3 3503 59.134 14.759 32.279 1.00 0.00 SOLV H ATOM 12539 H2 TIP3 3503 58.996 16.257 32.285 1.00 0.00 SOLV H ATOM 12540 OH2 TIP3 3504 64.465 14.357 19.166 1.00 0.00 SOLV O ATOM 12541 H1 TIP3 3504 64.698 13.519 18.728 1.00 0.00 SOLV H ATOM 12542 H2 TIP3 3504 64.047 14.036 19.989 1.00 0.00 SOLV H ATOM 12543 OH2 TIP3 3505 63.341 13.811 21.648 1.00 0.00 SOLV O ATOM 12544 H1 TIP3 3505 64.007 13.353 22.178 1.00 0.00 SOLV H ATOM 12545 H2 TIP3 3505 63.457 14.743 21.950 1.00 0.00 SOLV H ATOM 12546 OH2 TIP3 3506 59.874 11.011 22.092 1.00 0.00 SOLV O ATOM 12547 H1 TIP3 3506 59.100 11.492 22.459 1.00 0.00 SOLV H ATOM 12548 H2 TIP3 3506 60.283 11.734 21.569 1.00 0.00 SOLV H ATOM 12549 OH2 TIP3 3507 67.681 3.966 33.148 1.00 0.00 SOLV O ATOM 12550 H1 TIP3 3507 68.486 3.630 32.722 1.00 0.00 SOLV H ATOM 12551 H2 TIP3 3507 67.224 3.114 33.306 1.00 0.00 SOLV H ATOM 12552 OH2 TIP3 3508 68.002 3.876 23.603 1.00 0.00 SOLV O ATOM 12553 H1 TIP3 3508 68.073 3.954 22.638 1.00 0.00 SOLV H ATOM 12554 H2 TIP3 3508 68.745 4.415 23.917 1.00 0.00 SOLV H ATOM 12555 OH2 TIP3 3509 66.367 15.263 22.212 1.00 0.00 SOLV O ATOM 12556 H1 TIP3 3509 65.455 15.563 22.392 1.00 0.00 SOLV H ATOM 12557 H2 TIP3 3509 66.775 16.116 21.991 1.00 0.00 SOLV H ATOM 12558 OH2 TIP3 3510 65.282 5.178 24.403 1.00 0.00 SOLV O ATOM 12559 H1 TIP3 3510 66.106 5.679 24.555 1.00 0.00 SOLV H ATOM 12560 H2 TIP3 3510 65.133 4.828 25.315 1.00 0.00 SOLV H ATOM 12561 OH2 TIP3 3511 66.212 6.189 33.292 1.00 0.00 SOLV O ATOM 12562 H1 TIP3 3511 66.418 6.424 34.219 1.00 0.00 SOLV H ATOM 12563 H2 TIP3 3511 66.749 5.366 33.193 1.00 0.00 SOLV H ATOM 12564 OH2 TIP3 3512 66.431 2.418 25.169 1.00 0.00 SOLV O ATOM 12565 H1 TIP3 3512 66.625 2.763 26.064 1.00 0.00 SOLV H ATOM 12566 H2 TIP3 3512 66.960 3.033 24.614 1.00 0.00 SOLV H ATOM 12567 OH2 TIP3 3513 63.873 16.346 22.486 1.00 0.00 SOLV O ATOM 12568 H1 TIP3 3513 63.881 17.204 22.005 1.00 0.00 SOLV H ATOM 12569 H2 TIP3 3513 63.564 16.636 23.374 1.00 0.00 SOLV H ATOM 12570 OH2 TIP3 3514 62.424 3.421 21.844 1.00 0.00 SOLV O ATOM 12571 H1 TIP3 3514 62.283 4.111 22.522 1.00 0.00 SOLV H ATOM 12572 H2 TIP3 3514 63.294 3.070 22.136 1.00 0.00 SOLV H ATOM 12573 OH2 TIP3 3515 60.718 13.263 20.738 1.00 0.00 SOLV O ATOM 12574 H1 TIP3 3515 61.517 13.667 21.136 1.00 0.00 SOLV H ATOM 12575 H2 TIP3 3515 61.157 12.742 20.028 1.00 0.00 SOLV H ATOM 12576 OH2 TIP3 3516 58.723 6.193 20.280 1.00 0.00 SOLV O ATOM 12577 H1 TIP3 3516 58.841 7.146 20.463 1.00 0.00 SOLV H ATOM 12578 H2 TIP3 3516 58.229 6.201 19.452 1.00 0.00 SOLV H ATOM 12579 OH2 TIP3 3517 59.787 1.008 28.595 1.00 0.00 SOLV O ATOM 12580 H1 TIP3 3517 59.699 1.020 27.619 1.00 0.00 SOLV H ATOM 12581 H2 TIP3 3517 59.985 0.048 28.710 1.00 0.00 SOLV H ATOM 12582 OH2 TIP3 3518 58.534 14.842 24.583 1.00 0.00 SOLV O ATOM 12583 H1 TIP3 3518 57.918 15.139 25.267 1.00 0.00 SOLV H ATOM 12584 H2 TIP3 3518 58.451 15.564 23.911 1.00 0.00 SOLV H ATOM 12585 OH2 TIP3 3519 58.105 17.944 36.438 1.00 0.00 SOLV O ATOM 12586 H1 TIP3 3519 58.786 17.692 37.105 1.00 0.00 SOLV H ATOM 12587 H2 TIP3 3519 57.786 17.067 36.169 1.00 0.00 SOLV H ATOM 12588 OH2 TIP3 3520 62.344 16.339 37.811 1.00 0.00 SOLV O ATOM 12589 H1 TIP3 3520 63.172 15.890 38.043 1.00 0.00 SOLV H ATOM 12590 H2 TIP3 3520 62.164 15.928 36.940 1.00 0.00 SOLV H ATOM 12591 OH2 TIP3 3521 66.858 15.719 19.113 1.00 0.00 SOLV O ATOM 12592 H1 TIP3 3521 65.954 15.338 19.179 1.00 0.00 SOLV H ATOM 12593 H2 TIP3 3521 67.357 14.872 19.119 1.00 0.00 SOLV H ATOM 12594 OH2 TIP3 3522 57.902 11.498 37.192 1.00 0.00 SOLV O ATOM 12595 H1 TIP3 3522 57.898 10.525 37.088 1.00 0.00 SOLV H ATOM 12596 H2 TIP3 3522 57.193 11.766 36.567 1.00 0.00 SOLV H ATOM 12597 OH2 TIP3 3523 62.111 11.481 19.298 1.00 0.00 SOLV O ATOM 12598 H1 TIP3 3523 62.436 10.954 20.048 1.00 0.00 SOLV H ATOM 12599 H2 TIP3 3523 62.943 11.574 18.781 1.00 0.00 SOLV H ATOM 12600 OH2 TIP3 3524 64.444 11.573 36.735 1.00 0.00 SOLV O ATOM 12601 H1 TIP3 3524 64.214 12.065 35.917 1.00 0.00 SOLV H ATOM 12602 H2 TIP3 3524 64.608 10.668 36.400 1.00 0.00 SOLV H ATOM 12603 OH2 TIP3 3525 67.533 12.991 19.251 1.00 0.00 SOLV O ATOM 12604 H1 TIP3 3525 67.787 12.888 20.184 1.00 0.00 SOLV H ATOM 12605 H2 TIP3 3525 67.418 12.064 18.979 1.00 0.00 SOLV H ATOM 12606 OH2 TIP3 3526 58.721 8.819 36.769 1.00 0.00 SOLV O ATOM 12607 H1 TIP3 3526 59.466 8.280 36.478 1.00 0.00 SOLV H ATOM 12608 H2 TIP3 3526 58.840 8.824 37.743 1.00 0.00 SOLV H ATOM 12609 OH2 TIP3 3527 63.291 9.775 21.626 1.00 0.00 SOLV O ATOM 12610 H1 TIP3 3527 62.747 9.055 21.969 1.00 0.00 SOLV H ATOM 12611 H2 TIP3 3527 63.798 9.278 20.943 1.00 0.00 SOLV H ATOM 12612 OH2 TIP3 3528 62.667 7.575 34.042 1.00 0.00 SOLV O ATOM 12613 H1 TIP3 3528 61.986 8.284 34.026 1.00 0.00 SOLV H ATOM 12614 H2 TIP3 3528 63.399 7.999 33.533 1.00 0.00 SOLV H ATOM 12615 OH2 TIP3 3529 64.481 8.208 19.784 1.00 0.00 SOLV O ATOM 12616 H1 TIP3 3529 64.503 8.428 18.827 1.00 0.00 SOLV H ATOM 12617 H2 TIP3 3529 65.422 7.958 19.917 1.00 0.00 SOLV H ATOM 12618 OH2 TIP3 3530 67.847 10.145 37.585 1.00 0.00 SOLV O ATOM 12619 H1 TIP3 3530 68.491 9.515 37.234 1.00 0.00 SOLV H ATOM 12620 H2 TIP3 3530 67.230 9.527 38.017 1.00 0.00 SOLV H ATOM 12621 OH2 TIP3 3531 63.195 5.115 34.946 1.00 0.00 SOLV O ATOM 12622 H1 TIP3 3531 63.313 4.511 34.182 1.00 0.00 SOLV H ATOM 12623 H2 TIP3 3531 63.047 5.980 34.494 1.00 0.00 SOLV H ATOM 12624 OH2 TIP3 3532 63.499 3.393 32.761 1.00 0.00 SOLV O ATOM 12625 H1 TIP3 3532 64.049 3.901 32.130 1.00 0.00 SOLV H ATOM 12626 H2 TIP3 3532 62.634 3.386 32.295 1.00 0.00 SOLV H ATOM 12627 OH2 TIP3 3533 64.674 8.848 32.884 1.00 0.00 SOLV O ATOM 12628 H1 TIP3 3533 65.585 8.696 32.602 1.00 0.00 SOLV H ATOM 12629 H2 TIP3 3533 64.414 9.642 32.372 1.00 0.00 SOLV H ATOM 12630 OH2 TIP3 3534 61.677 5.803 37.199 1.00 0.00 SOLV O ATOM 12631 H1 TIP3 3534 60.852 5.290 37.052 1.00 0.00 SOLV H ATOM 12632 H2 TIP3 3534 62.121 5.701 36.332 1.00 0.00 SOLV H ATOM 12633 OH2 TIP3 3535 64.179 0.754 33.590 1.00 0.00 SOLV O ATOM 12634 H1 TIP3 3535 63.868 1.663 33.388 1.00 0.00 SOLV H ATOM 12635 H2 TIP3 3535 63.755 0.232 32.891 1.00 0.00 SOLV H ATOM 12636 OH2 TIP3 3536 65.406 4.954 36.530 1.00 0.00 SOLV O ATOM 12637 H1 TIP3 3536 64.983 4.518 37.294 1.00 0.00 SOLV H ATOM 12638 H2 TIP3 3536 64.630 5.003 35.926 1.00 0.00 SOLV H ATOM 12639 OH2 TIP3 3537 68.005 3.943 36.319 1.00 0.00 SOLV O ATOM 12640 H1 TIP3 3537 67.091 4.220 36.120 1.00 0.00 SOLV H ATOM 12641 H2 TIP3 3537 67.844 3.051 36.644 1.00 0.00 SOLV H ATOM 12642 OH2 TIP3 3538 59.552 4.105 36.900 1.00 0.00 SOLV O ATOM 12643 H1 TIP3 3538 59.535 3.303 36.333 1.00 0.00 SOLV H ATOM 12644 H2 TIP3 3538 59.565 3.709 37.795 1.00 0.00 SOLV H ATOM 12645 OH2 TIP3 3539 65.289 1.935 37.643 1.00 0.00 SOLV O ATOM 12646 H1 TIP3 3539 64.943 1.092 37.315 1.00 0.00 SOLV H ATOM 12647 H2 TIP3 3539 64.489 2.485 37.751 1.00 0.00 SOLV H ATOM 12648 OH2 TIP3 3540 64.460 18.720 21.137 1.00 0.00 SOLV O ATOM 12649 H1 TIP3 3540 65.379 18.408 21.074 1.00 0.00 SOLV H ATOM 12650 H2 TIP3 3540 64.466 19.431 20.471 1.00 0.00 SOLV H ATOM 12651 OH2 TIP3 3541 57.953 13.258 20.550 1.00 0.00 SOLV O ATOM 12652 H1 TIP3 3541 58.927 13.378 20.566 1.00 0.00 SOLV H ATOM 12653 H2 TIP3 3541 57.854 12.576 19.847 1.00 0.00 SOLV H ATOM 12654 OH2 TIP3 3542 56.917 18.598 25.646 1.00 0.00 SOLV O ATOM 12655 H1 TIP3 3542 56.334 18.253 24.934 1.00 0.00 SOLV H ATOM 12656 H2 TIP3 3542 57.066 17.782 26.165 1.00 0.00 SOLV H ATOM 12657 OH2 TIP3 3543 57.531 16.406 27.243 1.00 0.00 SOLV O ATOM 12658 H1 TIP3 3543 57.090 15.702 27.755 1.00 0.00 SOLV H ATOM 12659 H2 TIP3 3543 57.975 16.874 27.974 1.00 0.00 SOLV H ATOM 12660 OH2 TIP3 3544 57.624 9.749 29.449 1.00 0.00 SOLV O ATOM 12661 H1 TIP3 3544 57.740 8.902 28.998 1.00 0.00 SOLV H ATOM 12662 H2 TIP3 3544 58.391 9.697 30.067 1.00 0.00 SOLV H ATOM 12663 OH2 TIP3 3545 57.154 5.061 36.039 1.00 0.00 SOLV O ATOM 12664 H1 TIP3 3545 58.074 4.836 36.291 1.00 0.00 SOLV H ATOM 12665 H2 TIP3 3545 56.729 4.186 36.122 1.00 0.00 SOLV H ATOM 12666 OH2 TIP3 3546 58.301 3.406 28.851 1.00 0.00 SOLV O ATOM 12667 H1 TIP3 3546 58.705 2.516 28.911 1.00 0.00 SOLV H ATOM 12668 H2 TIP3 3546 59.068 3.975 29.050 1.00 0.00 SOLV H ATOM 12669 OH2 TIP3 3547 56.479 6.481 29.671 1.00 0.00 SOLV O ATOM 12670 H1 TIP3 3547 57.207 6.538 29.020 1.00 0.00 SOLV H ATOM 12671 H2 TIP3 3547 56.953 6.486 30.511 1.00 0.00 SOLV H ATOM 12672 OH2 TIP3 3548 57.064 2.580 24.055 1.00 0.00 SOLV O ATOM 12673 H1 TIP3 3548 56.103 2.651 23.908 1.00 0.00 SOLV H ATOM 12674 H2 TIP3 3548 57.393 3.194 23.363 1.00 0.00 SOLV H ATOM 12675 OH2 TIP3 3549 57.024 2.003 32.785 1.00 0.00 SOLV O ATOM 12676 H1 TIP3 3549 56.986 1.039 32.652 1.00 0.00 SOLV H ATOM 12677 H2 TIP3 3549 56.634 2.335 31.956 1.00 0.00 SOLV H ATOM 12678 OH2 TIP3 3550 59.152 14.912 36.307 1.00 0.00 SOLV O ATOM 12679 H1 TIP3 3550 58.246 14.929 35.939 1.00 0.00 SOLV H ATOM 12680 H2 TIP3 3550 59.007 14.490 37.162 1.00 0.00 SOLV H ATOM 12681 OH2 TIP3 3551 62.280 15.772 32.645 1.00 0.00 SOLV O ATOM 12682 H1 TIP3 3551 62.030 16.671 32.341 1.00 0.00 SOLV H ATOM 12683 H2 TIP3 3551 63.238 15.806 32.423 1.00 0.00 SOLV H ATOM 12684 OH2 TIP3 3552 66.498 17.048 35.592 1.00 0.00 SOLV O ATOM 12685 H1 TIP3 3552 66.535 16.642 36.484 1.00 0.00 SOLV H ATOM 12686 H2 TIP3 3552 67.420 16.960 35.325 1.00 0.00 SOLV H ATOM 12687 OH2 TIP3 3553 59.309 18.689 32.706 1.00 0.00 SOLV O ATOM 12688 H1 TIP3 3553 58.519 19.159 32.356 1.00 0.00 SOLV H ATOM 12689 H2 TIP3 3553 59.375 19.100 33.580 1.00 0.00 SOLV H ATOM 12690 OH2 TIP3 3554 61.920 18.371 31.886 1.00 0.00 SOLV O ATOM 12691 H1 TIP3 3554 60.974 18.532 32.102 1.00 0.00 SOLV H ATOM 12692 H2 TIP3 3554 62.016 18.876 31.053 1.00 0.00 SOLV H ATOM 12693 OH2 TIP3 3555 66.414 18.072 30.863 1.00 0.00 SOLV O ATOM 12694 H1 TIP3 3555 65.978 18.648 30.220 1.00 0.00 SOLV H ATOM 12695 H2 TIP3 3555 66.754 18.686 31.528 1.00 0.00 SOLV H ATOM 12696 OH2 TIP3 3556 58.973 17.411 29.482 1.00 0.00 SOLV O ATOM 12697 H1 TIP3 3556 58.893 16.891 30.306 1.00 0.00 SOLV H ATOM 12698 H2 TIP3 3556 59.757 16.962 29.093 1.00 0.00 SOLV H ATOM 12699 OH2 TIP3 3557 61.035 16.036 28.396 1.00 0.00 SOLV O ATOM 12700 H1 TIP3 3557 60.930 15.092 28.653 1.00 0.00 SOLV H ATOM 12701 H2 TIP3 3557 61.942 16.221 28.731 1.00 0.00 SOLV H ATOM 12702 OH2 TIP3 3558 63.632 16.404 29.374 1.00 0.00 SOLV O ATOM 12703 H1 TIP3 3558 63.804 15.465 29.163 1.00 0.00 SOLV H ATOM 12704 H2 TIP3 3558 63.993 16.420 30.284 1.00 0.00 SOLV H ATOM 12705 OH2 TIP3 3559 66.780 2.387 27.997 1.00 0.00 SOLV O ATOM 12706 H1 TIP3 3559 65.974 1.906 28.285 1.00 0.00 SOLV H ATOM 12707 H2 TIP3 3559 67.468 1.734 28.160 1.00 0.00 SOLV H ATOM 12708 OH2 TIP3 3560 59.629 0.816 25.863 1.00 0.00 SOLV O ATOM 12709 H1 TIP3 3560 58.842 0.894 25.305 1.00 0.00 SOLV H ATOM 12710 H2 TIP3 3560 59.818 -0.128 25.667 1.00 0.00 SOLV H ATOM 12711 OH2 TIP3 3561 58.081 1.205 21.302 1.00 0.00 SOLV O ATOM 12712 H1 TIP3 3561 58.816 1.807 21.080 1.00 0.00 SOLV H ATOM 12713 H2 TIP3 3561 58.164 1.106 22.259 1.00 0.00 SOLV H ATOM 12714 OH2 TIP3 3562 63.894 1.561 25.816 1.00 0.00 SOLV O ATOM 12715 H1 TIP3 3562 64.717 2.010 25.532 1.00 0.00 SOLV H ATOM 12716 H2 TIP3 3562 64.065 1.450 26.771 1.00 0.00 SOLV H ATOM 12717 OH2 TIP3 3563 58.255 16.893 22.818 1.00 0.00 SOLV O ATOM 12718 H1 TIP3 3563 57.454 16.808 22.268 1.00 0.00 SOLV H ATOM 12719 H2 TIP3 3563 58.448 17.840 22.661 1.00 0.00 SOLV H ATOM 12720 OH2 TIP3 3564 60.173 2.794 20.369 1.00 0.00 SOLV O ATOM 12721 H1 TIP3 3564 60.621 2.180 19.748 1.00 0.00 SOLV H ATOM 12722 H2 TIP3 3564 60.913 3.016 20.976 1.00 0.00 SOLV H ATOM 12723 OH2 TIP3 3565 64.963 2.917 22.756 1.00 0.00 SOLV O ATOM 12724 H1 TIP3 3565 65.335 2.189 23.282 1.00 0.00 SOLV H ATOM 12725 H2 TIP3 3565 65.185 3.678 23.333 1.00 0.00 SOLV H ATOM 12726 OH2 TIP3 3566 67.092 17.782 21.008 1.00 0.00 SOLV O ATOM 12727 H1 TIP3 3566 67.810 18.365 20.726 1.00 0.00 SOLV H ATOM 12728 H2 TIP3 3566 67.064 17.130 20.271 1.00 0.00 SOLV H ATOM 12729 OH2 TIP3 3567 59.435 1.842 35.396 1.00 0.00 SOLV O ATOM 12730 H1 TIP3 3567 58.840 1.141 35.098 1.00 0.00 SOLV H ATOM 12731 H2 TIP3 3567 60.071 1.359 35.957 1.00 0.00 SOLV H ATOM 12732 OH2 TIP3 3568 61.468 1.261 37.351 1.00 0.00 SOLV O ATOM 12733 H1 TIP3 3568 62.215 1.555 36.816 1.00 0.00 SOLV H ATOM 12734 H2 TIP3 3568 61.790 0.411 37.724 1.00 0.00 SOLV H ATOM 12735 OH2 TIP3 3569 60.021 17.545 19.518 1.00 0.00 SOLV O ATOM 12736 H1 TIP3 3569 59.848 17.484 20.467 1.00 0.00 SOLV H ATOM 12737 H2 TIP3 3569 60.822 16.975 19.424 1.00 0.00 SOLV H ATOM 12738 OH2 TIP3 3570 12.088 29.007 25.780 1.00 0.00 SOLV O ATOM 12739 H1 TIP3 3570 11.875 29.958 25.696 1.00 0.00 SOLV H ATOM 12740 H2 TIP3 3570 11.419 28.627 25.181 1.00 0.00 SOLV H ATOM 12741 OH2 TIP3 3571 10.783 28.287 29.505 1.00 0.00 SOLV O ATOM 12742 H1 TIP3 3571 10.859 27.849 30.371 1.00 0.00 SOLV H ATOM 12743 H2 TIP3 3571 10.361 27.577 28.984 1.00 0.00 SOLV H ATOM 12744 OH2 TIP3 3572 2.957 27.683 30.951 1.00 0.00 SOLV O ATOM 12745 H1 TIP3 3572 3.117 26.877 31.472 1.00 0.00 SOLV H ATOM 12746 H2 TIP3 3572 3.808 28.138 31.043 1.00 0.00 SOLV H ATOM 12747 OH2 TIP3 3573 4.314 32.420 29.375 1.00 0.00 SOLV O ATOM 12748 H1 TIP3 3573 4.163 31.477 29.149 1.00 0.00 SOLV H ATOM 12749 H2 TIP3 3573 5.260 32.380 29.592 1.00 0.00 SOLV H ATOM 12750 OH2 TIP3 3574 1.197 26.060 24.940 1.00 0.00 SOLV O ATOM 12751 H1 TIP3 3574 1.097 27.006 25.100 1.00 0.00 SOLV H ATOM 12752 H2 TIP3 3574 0.262 25.812 24.804 1.00 0.00 SOLV H ATOM 12753 OH2 TIP3 3575 2.342 28.260 27.713 1.00 0.00 SOLV O ATOM 12754 H1 TIP3 3575 2.381 27.278 27.739 1.00 0.00 SOLV H ATOM 12755 H2 TIP3 3575 2.256 28.437 26.768 1.00 0.00 SOLV H ATOM 12756 OH2 TIP3 3576 11.780 36.380 28.164 1.00 0.00 SOLV O ATOM 12757 H1 TIP3 3576 12.266 35.596 27.838 1.00 0.00 SOLV H ATOM 12758 H2 TIP3 3576 11.178 36.028 28.837 1.00 0.00 SOLV H ATOM 12759 OH2 TIP3 3577 9.114 30.635 29.939 1.00 0.00 SOLV O ATOM 12760 H1 TIP3 3577 9.566 29.885 29.505 1.00 0.00 SOLV H ATOM 12761 H2 TIP3 3577 9.770 30.876 30.605 1.00 0.00 SOLV H ATOM 12762 OH2 TIP3 3578 17.902 22.104 30.902 1.00 0.00 SOLV O ATOM 12763 H1 TIP3 3578 18.117 22.765 31.598 1.00 0.00 SOLV H ATOM 12764 H2 TIP3 3578 18.439 22.426 30.160 1.00 0.00 SOLV H ATOM 12765 OH2 TIP3 3579 12.443 24.962 30.166 1.00 0.00 SOLV O ATOM 12766 H1 TIP3 3579 12.689 24.015 30.256 1.00 0.00 SOLV H ATOM 12767 H2 TIP3 3579 12.347 25.035 29.197 1.00 0.00 SOLV H ATOM 12768 OH2 TIP3 3580 5.894 23.042 27.319 1.00 0.00 SOLV O ATOM 12769 H1 TIP3 3580 5.938 23.911 26.865 1.00 0.00 SOLV H ATOM 12770 H2 TIP3 3580 5.407 22.522 26.641 1.00 0.00 SOLV H ATOM 12771 OH2 TIP3 3581 13.569 23.419 25.650 1.00 0.00 SOLV O ATOM 12772 H1 TIP3 3581 14.019 23.026 26.434 1.00 0.00 SOLV H ATOM 12773 H2 TIP3 3581 14.337 23.749 25.148 1.00 0.00 SOLV H ATOM 12774 OH2 TIP3 3582 2.381 25.524 27.928 1.00 0.00 SOLV O ATOM 12775 H1 TIP3 3582 2.874 24.978 28.564 1.00 0.00 SOLV H ATOM 12776 H2 TIP3 3582 2.663 25.105 27.087 1.00 0.00 SOLV H ATOM 12777 OH2 TIP3 3583 7.217 27.028 27.553 1.00 0.00 SOLV O ATOM 12778 H1 TIP3 3583 8.052 26.603 27.834 1.00 0.00 SOLV H ATOM 12779 H2 TIP3 3583 6.839 26.347 26.953 1.00 0.00 SOLV H ATOM 12780 OH2 TIP3 3584 18.251 23.883 32.980 1.00 0.00 SOLV O ATOM 12781 H1 TIP3 3584 17.517 24.492 33.122 1.00 0.00 SOLV H ATOM 12782 H2 TIP3 3584 18.758 23.950 33.814 1.00 0.00 SOLV H ATOM 12783 OH2 TIP3 3585 4.524 22.034 31.470 1.00 0.00 SOLV O ATOM 12784 H1 TIP3 3585 4.167 22.596 30.756 1.00 0.00 SOLV H ATOM 12785 H2 TIP3 3585 3.827 22.148 32.151 1.00 0.00 SOLV H ATOM 12786 OH2 TIP3 3586 11.772 31.621 24.920 1.00 0.00 SOLV O ATOM 12787 H1 TIP3 3586 11.555 31.638 23.970 1.00 0.00 SOLV H ATOM 12788 H2 TIP3 3586 11.323 32.450 25.211 1.00 0.00 SOLV H ATOM 12789 OH2 TIP3 3587 7.163 29.727 31.647 1.00 0.00 SOLV O ATOM 12790 H1 TIP3 3587 6.576 30.439 31.981 1.00 0.00 SOLV H ATOM 12791 H2 TIP3 3587 7.748 30.225 31.043 1.00 0.00 SOLV H ATOM 12792 OH2 TIP3 3588 14.869 22.666 27.923 1.00 0.00 SOLV O ATOM 12793 H1 TIP3 3588 15.146 21.789 28.231 1.00 0.00 SOLV H ATOM 12794 H2 TIP3 3588 15.370 23.261 28.517 1.00 0.00 SOLV H ATOM 12795 OH2 TIP3 3589 4.044 23.720 29.300 1.00 0.00 SOLV O ATOM 12796 H1 TIP3 3589 4.632 24.271 29.866 1.00 0.00 SOLV H ATOM 12797 H2 TIP3 3589 4.697 23.410 28.632 1.00 0.00 SOLV H ATOM 12798 OH2 TIP3 3590 5.562 31.848 32.554 1.00 0.00 SOLV O ATOM 12799 H1 TIP3 3590 5.571 32.810 32.371 1.00 0.00 SOLV H ATOM 12800 H2 TIP3 3590 4.657 31.770 32.917 1.00 0.00 SOLV H ATOM 12801 OH2 TIP3 3591 1.516 31.332 23.043 1.00 0.00 SOLV O ATOM 12802 H1 TIP3 3591 0.866 31.808 22.504 1.00 0.00 SOLV H ATOM 12803 H2 TIP3 3591 1.618 31.927 23.805 1.00 0.00 SOLV H ATOM 12804 OH2 TIP3 3592 15.228 21.285 31.683 1.00 0.00 SOLV O ATOM 12805 H1 TIP3 3592 14.592 21.686 31.063 1.00 0.00 SOLV H ATOM 12806 H2 TIP3 3592 16.086 21.590 31.322 1.00 0.00 SOLV H ATOM 12807 OH2 TIP3 3593 8.196 19.092 29.055 1.00 0.00 SOLV O ATOM 12808 H1 TIP3 3593 7.806 18.201 28.929 1.00 0.00 SOLV H ATOM 12809 H2 TIP3 3593 7.397 19.582 29.352 1.00 0.00 SOLV H ATOM 12810 OH2 TIP3 3594 13.484 34.760 26.696 1.00 0.00 SOLV O ATOM 12811 H1 TIP3 3594 13.833 33.902 26.371 1.00 0.00 SOLV H ATOM 12812 H2 TIP3 3594 14.230 35.367 26.503 1.00 0.00 SOLV H ATOM 12813 OH2 TIP3 3595 14.356 32.243 25.659 1.00 0.00 SOLV O ATOM 12814 H1 TIP3 3595 14.735 32.025 24.790 1.00 0.00 SOLV H ATOM 12815 H2 TIP3 3595 13.448 31.879 25.550 1.00 0.00 SOLV H ATOM 12816 OH2 TIP3 3596 10.671 28.158 23.595 1.00 0.00 SOLV O ATOM 12817 H1 TIP3 3596 10.007 28.834 23.340 1.00 0.00 SOLV H ATOM 12818 H2 TIP3 3596 11.275 28.176 22.830 1.00 0.00 SOLV H ATOM 12819 OH2 TIP3 3597 10.782 26.786 20.191 1.00 0.00 SOLV O ATOM 12820 H1 TIP3 3597 11.387 27.083 20.895 1.00 0.00 SOLV H ATOM 12821 H2 TIP3 3597 11.365 26.155 19.717 1.00 0.00 SOLV H ATOM 12822 OH2 TIP3 3598 14.239 28.460 24.188 1.00 0.00 SOLV O ATOM 12823 H1 TIP3 3598 13.533 28.594 24.864 1.00 0.00 SOLV H ATOM 12824 H2 TIP3 3598 14.862 27.893 24.690 1.00 0.00 SOLV H ATOM 12825 OH2 TIP3 3599 5.719 29.012 26.340 1.00 0.00 SOLV O ATOM 12826 H1 TIP3 3599 5.426 28.623 25.488 1.00 0.00 SOLV H ATOM 12827 H2 TIP3 3599 6.262 28.288 26.719 1.00 0.00 SOLV H ATOM 12828 OH2 TIP3 3600 7.159 32.520 29.000 1.00 0.00 SOLV O ATOM 12829 H1 TIP3 3600 7.079 32.390 28.042 1.00 0.00 SOLV H ATOM 12830 H2 TIP3 3600 7.829 31.853 29.251 1.00 0.00 SOLV H ATOM 12831 OH2 TIP3 3601 6.248 27.552 30.167 1.00 0.00 SOLV O ATOM 12832 H1 TIP3 3601 6.512 27.627 29.230 1.00 0.00 SOLV H ATOM 12833 H2 TIP3 3601 6.520 28.416 30.537 1.00 0.00 SOLV H ATOM 12834 OH2 TIP3 3602 7.122 32.187 34.775 1.00 0.00 SOLV O ATOM 12835 H1 TIP3 3602 6.470 32.805 35.168 1.00 0.00 SOLV H ATOM 12836 H2 TIP3 3602 6.637 31.912 33.969 1.00 0.00 SOLV H ATOM 12837 OH2 TIP3 3603 12.864 27.656 21.918 1.00 0.00 SOLV O ATOM 12838 H1 TIP3 3603 13.401 28.036 22.647 1.00 0.00 SOLV H ATOM 12839 H2 TIP3 3603 13.401 27.948 21.138 1.00 0.00 SOLV H ATOM 12840 OH2 TIP3 3604 3.954 28.093 34.117 1.00 0.00 SOLV O ATOM 12841 H1 TIP3 3604 4.046 28.902 34.658 1.00 0.00 SOLV H ATOM 12842 H2 TIP3 3604 2.993 28.094 33.939 1.00 0.00 SOLV H ATOM 12843 OH2 TIP3 3605 10.830 34.113 25.387 1.00 0.00 SOLV O ATOM 12844 H1 TIP3 3605 11.261 34.728 25.993 1.00 0.00 SOLV H ATOM 12845 H2 TIP3 3605 10.253 34.687 24.864 1.00 0.00 SOLV H ATOM 12846 OH2 TIP3 3606 5.125 34.039 35.419 1.00 0.00 SOLV O ATOM 12847 H1 TIP3 3606 5.088 34.322 34.485 1.00 0.00 SOLV H ATOM 12848 H2 TIP3 3606 4.178 33.937 35.637 1.00 0.00 SOLV H ATOM 12849 OH2 TIP3 3607 16.638 19.192 21.836 1.00 0.00 SOLV O ATOM 12850 H1 TIP3 3607 15.767 19.525 22.130 1.00 0.00 SOLV H ATOM 12851 H2 TIP3 3607 17.060 20.025 21.529 1.00 0.00 SOLV H ATOM 12852 OH2 TIP3 3608 4.821 28.088 23.820 1.00 0.00 SOLV O ATOM 12853 H1 TIP3 3608 4.352 28.753 23.269 1.00 0.00 SOLV H ATOM 12854 H2 TIP3 3608 4.310 27.290 23.640 1.00 0.00 SOLV H ATOM 12855 OH2 TIP3 3609 17.910 33.619 20.411 1.00 0.00 SOLV O ATOM 12856 H1 TIP3 3609 18.155 34.569 20.424 1.00 0.00 SOLV H ATOM 12857 H2 TIP3 3609 18.787 33.187 20.367 1.00 0.00 SOLV H ATOM 12858 OH2 TIP3 3610 1.408 30.398 32.996 1.00 0.00 SOLV O ATOM 12859 H1 TIP3 3610 0.882 30.473 32.185 1.00 0.00 SOLV H ATOM 12860 H2 TIP3 3610 1.273 29.461 33.234 1.00 0.00 SOLV H ATOM 12861 OH2 TIP3 3611 0.977 33.379 28.874 1.00 0.00 SOLV O ATOM 12862 H1 TIP3 3611 1.593 32.713 29.196 1.00 0.00 SOLV H ATOM 12863 H2 TIP3 3611 0.312 33.410 29.590 1.00 0.00 SOLV H ATOM 12864 OH2 TIP3 3612 9.391 33.429 33.912 1.00 0.00 SOLV O ATOM 12865 H1 TIP3 3612 9.506 34.194 34.514 1.00 0.00 SOLV H ATOM 12866 H2 TIP3 3612 8.582 33.016 34.285 1.00 0.00 SOLV H ATOM 12867 OH2 TIP3 3613 10.514 37.111 23.966 1.00 0.00 SOLV O ATOM 12868 H1 TIP3 3613 10.141 37.137 23.068 1.00 0.00 SOLV H ATOM 12869 H2 TIP3 3613 10.119 37.908 24.374 1.00 0.00 SOLV H ATOM 12870 OH2 TIP3 3614 3.876 35.920 25.906 1.00 0.00 SOLV O ATOM 12871 H1 TIP3 3614 4.015 35.586 26.820 1.00 0.00 SOLV H ATOM 12872 H2 TIP3 3614 3.284 35.228 25.546 1.00 0.00 SOLV H ATOM 12873 OH2 TIP3 3615 13.198 36.490 20.800 1.00 0.00 SOLV O ATOM 12874 H1 TIP3 3615 13.713 35.753 20.398 1.00 0.00 SOLV H ATOM 12875 H2 TIP3 3615 13.320 36.317 21.753 1.00 0.00 SOLV H ATOM 12876 OH2 TIP3 3616 13.050 36.298 23.628 1.00 0.00 SOLV O ATOM 12877 H1 TIP3 3616 12.120 36.610 23.729 1.00 0.00 SOLV H ATOM 12878 H2 TIP3 3616 12.995 35.460 24.109 1.00 0.00 SOLV H ATOM 12879 OH2 TIP3 3617 16.221 25.777 35.201 1.00 0.00 SOLV O ATOM 12880 H1 TIP3 3617 16.139 25.476 34.272 1.00 0.00 SOLV H ATOM 12881 H2 TIP3 3617 16.442 24.975 35.691 1.00 0.00 SOLV H ATOM 12882 OH2 TIP3 3618 3.185 32.161 33.945 1.00 0.00 SOLV O ATOM 12883 H1 TIP3 3618 3.510 31.580 34.663 1.00 0.00 SOLV H ATOM 12884 H2 TIP3 3618 2.457 31.595 33.585 1.00 0.00 SOLV H ATOM 12885 OH2 TIP3 3619 5.712 20.177 29.787 1.00 0.00 SOLV O ATOM 12886 H1 TIP3 3619 4.922 20.122 29.207 1.00 0.00 SOLV H ATOM 12887 H2 TIP3 3619 5.387 20.850 30.421 1.00 0.00 SOLV H ATOM 12888 OH2 TIP3 3620 10.613 20.065 33.204 1.00 0.00 SOLV O ATOM 12889 H1 TIP3 3620 11.008 19.416 33.822 1.00 0.00 SOLV H ATOM 12890 H2 TIP3 3620 9.653 19.914 33.334 1.00 0.00 SOLV H ATOM 12891 OH2 TIP3 3621 14.429 28.382 19.876 1.00 0.00 SOLV O ATOM 12892 H1 TIP3 3621 14.216 28.443 18.924 1.00 0.00 SOLV H ATOM 12893 H2 TIP3 3621 15.395 28.530 19.862 1.00 0.00 SOLV H ATOM 12894 OH2 TIP3 3622 9.958 22.286 20.522 1.00 0.00 SOLV O ATOM 12895 H1 TIP3 3622 9.327 22.173 21.260 1.00 0.00 SOLV H ATOM 12896 H2 TIP3 3622 9.550 21.681 19.870 1.00 0.00 SOLV H ATOM 12897 OH2 TIP3 3623 5.700 25.082 30.977 1.00 0.00 SOLV O ATOM 12898 H1 TIP3 3623 5.030 25.249 31.678 1.00 0.00 SOLV H ATOM 12899 H2 TIP3 3623 5.892 26.013 30.696 1.00 0.00 SOLV H ATOM 12900 OH2 TIP3 3624 5.940 25.322 25.846 1.00 0.00 SOLV O ATOM 12901 H1 TIP3 3624 4.966 25.191 25.769 1.00 0.00 SOLV H ATOM 12902 H2 TIP3 3624 6.198 25.100 24.925 1.00 0.00 SOLV H ATOM 12903 OH2 TIP3 3625 11.299 25.706 24.746 1.00 0.00 SOLV O ATOM 12904 H1 TIP3 3625 11.064 26.564 24.331 1.00 0.00 SOLV H ATOM 12905 H2 TIP3 3625 11.981 25.372 24.126 1.00 0.00 SOLV H ATOM 12906 OH2 TIP3 3626 12.082 25.088 27.347 1.00 0.00 SOLV O ATOM 12907 H1 TIP3 3626 11.696 25.615 26.612 1.00 0.00 SOLV H ATOM 12908 H2 TIP3 3626 12.482 24.382 26.794 1.00 0.00 SOLV H ATOM 12909 OH2 TIP3 3627 3.578 25.411 32.640 1.00 0.00 SOLV O ATOM 12910 H1 TIP3 3627 3.550 25.955 33.443 1.00 0.00 SOLV H ATOM 12911 H2 TIP3 3627 3.209 24.562 32.951 1.00 0.00 SOLV H ATOM 12912 OH2 TIP3 3628 6.832 22.850 19.358 1.00 0.00 SOLV O ATOM 12913 H1 TIP3 3628 6.400 22.704 20.220 1.00 0.00 SOLV H ATOM 12914 H2 TIP3 3628 6.235 23.525 18.973 1.00 0.00 SOLV H ATOM 12915 OH2 TIP3 3629 0.608 22.777 26.269 1.00 0.00 SOLV O ATOM 12916 H1 TIP3 3629 0.938 22.632 27.182 1.00 0.00 SOLV H ATOM 12917 H2 TIP3 3629 0.867 21.949 25.844 1.00 0.00 SOLV H ATOM 12918 OH2 TIP3 3630 1.571 23.244 22.408 1.00 0.00 SOLV O ATOM 12919 H1 TIP3 3630 2.063 22.831 21.681 1.00 0.00 SOLV H ATOM 12920 H2 TIP3 3630 1.576 24.165 22.081 1.00 0.00 SOLV H ATOM 12921 OH2 TIP3 3631 10.957 26.689 31.748 1.00 0.00 SOLV O ATOM 12922 H1 TIP3 3631 11.428 26.016 31.211 1.00 0.00 SOLV H ATOM 12923 H2 TIP3 3631 11.656 26.983 32.356 1.00 0.00 SOLV H ATOM 12924 OH2 TIP3 3632 8.643 22.742 26.781 1.00 0.00 SOLV O ATOM 12925 H1 TIP3 3632 7.706 22.824 27.062 1.00 0.00 SOLV H ATOM 12926 H2 TIP3 3632 9.070 22.420 27.594 1.00 0.00 SOLV H ATOM 12927 OH2 TIP3 3633 3.398 24.446 25.593 1.00 0.00 SOLV O ATOM 12928 H1 TIP3 3633 2.574 24.760 25.153 1.00 0.00 SOLV H ATOM 12929 H2 TIP3 3633 3.495 23.534 25.257 1.00 0.00 SOLV H ATOM 12930 OH2 TIP3 3634 6.477 24.510 23.312 1.00 0.00 SOLV O ATOM 12931 H1 TIP3 3634 7.450 24.512 23.310 1.00 0.00 SOLV H ATOM 12932 H2 TIP3 3634 6.255 24.972 22.468 1.00 0.00 SOLV H ATOM 12933 OH2 TIP3 3635 12.646 22.153 30.220 1.00 0.00 SOLV O ATOM 12934 H1 TIP3 3635 11.750 21.917 30.494 1.00 0.00 SOLV H ATOM 12935 H2 TIP3 3635 12.644 21.822 29.308 1.00 0.00 SOLV H ATOM 12936 OH2 TIP3 3636 5.840 25.588 20.919 1.00 0.00 SOLV O ATOM 12937 H1 TIP3 3636 5.339 25.320 20.125 1.00 0.00 SOLV H ATOM 12938 H2 TIP3 3636 6.612 26.023 20.498 1.00 0.00 SOLV H ATOM 12939 OH2 TIP3 3637 15.742 37.891 36.596 1.00 0.00 SOLV O ATOM 12940 H1 TIP3 3637 16.141 38.203 35.780 1.00 0.00 SOLV H ATOM 12941 H2 TIP3 3637 16.458 37.958 37.239 1.00 0.00 SOLV H ATOM 12942 OH2 TIP3 3638 3.959 30.376 35.911 1.00 0.00 SOLV O ATOM 12943 H1 TIP3 3638 4.574 30.363 36.675 1.00 0.00 SOLV H ATOM 12944 H2 TIP3 3638 3.096 30.380 36.377 1.00 0.00 SOLV H ATOM 12945 OH2 TIP3 3639 9.498 25.776 28.637 1.00 0.00 SOLV O ATOM 12946 H1 TIP3 3639 10.259 25.317 28.244 1.00 0.00 SOLV H ATOM 12947 H2 TIP3 3639 9.228 25.171 29.348 1.00 0.00 SOLV H ATOM 12948 OH2 TIP3 3640 4.516 21.806 25.245 1.00 0.00 SOLV O ATOM 12949 H1 TIP3 3640 3.950 21.062 25.551 1.00 0.00 SOLV H ATOM 12950 H2 TIP3 3640 4.953 21.405 24.482 1.00 0.00 SOLV H ATOM 12951 OH2 TIP3 3641 8.300 24.416 31.190 1.00 0.00 SOLV O ATOM 12952 H1 TIP3 3641 7.353 24.552 30.963 1.00 0.00 SOLV H ATOM 12953 H2 TIP3 3641 8.491 25.258 31.629 1.00 0.00 SOLV H ATOM 12954 OH2 TIP3 3642 8.804 30.119 22.885 1.00 0.00 SOLV O ATOM 12955 H1 TIP3 3642 8.055 29.692 22.416 1.00 0.00 SOLV H ATOM 12956 H2 TIP3 3642 8.380 30.336 23.752 1.00 0.00 SOLV H ATOM 12957 OH2 TIP3 3643 12.508 22.763 21.247 1.00 0.00 SOLV O ATOM 12958 H1 TIP3 3643 11.563 22.728 20.957 1.00 0.00 SOLV H ATOM 12959 H2 TIP3 3643 12.599 23.670 21.592 1.00 0.00 SOLV H ATOM 12960 OH2 TIP3 3644 10.278 30.650 33.920 1.00 0.00 SOLV O ATOM 12961 H1 TIP3 3644 10.283 30.428 34.857 1.00 0.00 SOLV H ATOM 12962 H2 TIP3 3644 10.026 31.589 33.923 1.00 0.00 SOLV H ATOM 12963 OH2 TIP3 3645 13.230 25.023 22.854 1.00 0.00 SOLV O ATOM 12964 H1 TIP3 3645 14.149 24.869 23.139 1.00 0.00 SOLV H ATOM 12965 H2 TIP3 3645 13.276 25.909 22.446 1.00 0.00 SOLV H ATOM 12966 OH2 TIP3 3646 4.401 29.782 28.719 1.00 0.00 SOLV O ATOM 12967 H1 TIP3 3646 4.852 29.573 27.878 1.00 0.00 SOLV H ATOM 12968 H2 TIP3 3646 3.621 29.195 28.650 1.00 0.00 SOLV H ATOM 12969 OH2 TIP3 3647 10.888 31.669 22.076 1.00 0.00 SOLV O ATOM 12970 H1 TIP3 3647 10.514 32.579 22.126 1.00 0.00 SOLV H ATOM 12971 H2 TIP3 3647 10.104 31.125 22.314 1.00 0.00 SOLV H ATOM 12972 OH2 TIP3 3648 1.195 27.757 33.812 1.00 0.00 SOLV O ATOM 12973 H1 TIP3 3648 0.940 27.456 34.700 1.00 0.00 SOLV H ATOM 12974 H2 TIP3 3648 0.494 27.331 33.258 1.00 0.00 SOLV H ATOM 12975 OH2 TIP3 3649 7.988 27.654 36.005 1.00 0.00 SOLV O ATOM 12976 H1 TIP3 3649 7.250 27.210 35.545 1.00 0.00 SOLV H ATOM 12977 H2 TIP3 3649 8.739 27.387 35.461 1.00 0.00 SOLV H ATOM 12978 OH2 TIP3 3650 17.924 25.416 22.414 1.00 0.00 SOLV O ATOM 12979 H1 TIP3 3650 17.467 25.246 21.553 1.00 0.00 SOLV H ATOM 12980 H2 TIP3 3650 18.214 26.335 22.214 1.00 0.00 SOLV H ATOM 12981 OH2 TIP3 3651 16.578 33.745 22.826 1.00 0.00 SOLV O ATOM 12982 H1 TIP3 3651 16.071 32.923 22.870 1.00 0.00 SOLV H ATOM 12983 H2 TIP3 3651 16.990 33.673 21.941 1.00 0.00 SOLV H ATOM 12984 OH2 TIP3 3652 13.793 28.257 29.585 1.00 0.00 SOLV O ATOM 12985 H1 TIP3 3652 12.855 28.351 29.362 1.00 0.00 SOLV H ATOM 12986 H2 TIP3 3652 14.112 27.626 28.917 1.00 0.00 SOLV H ATOM 12987 OH2 TIP3 3653 6.456 33.174 25.977 1.00 0.00 SOLV O ATOM 12988 H1 TIP3 3653 6.595 34.080 25.635 1.00 0.00 SOLV H ATOM 12989 H2 TIP3 3653 5.496 33.097 25.923 1.00 0.00 SOLV H ATOM 12990 OH2 TIP3 3654 2.178 27.894 20.588 1.00 0.00 SOLV O ATOM 12991 H1 TIP3 3654 2.833 28.420 21.100 1.00 0.00 SOLV H ATOM 12992 H2 TIP3 3654 1.401 28.460 20.688 1.00 0.00 SOLV H ATOM 12993 OH2 TIP3 3655 7.535 30.762 25.167 1.00 0.00 SOLV O ATOM 12994 H1 TIP3 3655 7.251 31.644 25.483 1.00 0.00 SOLV H ATOM 12995 H2 TIP3 3655 6.920 30.178 25.655 1.00 0.00 SOLV H ATOM 12996 OH2 TIP3 3656 8.300 34.967 31.834 1.00 0.00 SOLV O ATOM 12997 H1 TIP3 3656 8.986 35.629 31.600 1.00 0.00 SOLV H ATOM 12998 H2 TIP3 3656 8.786 34.401 32.467 1.00 0.00 SOLV H ATOM 12999 OH2 TIP3 3657 6.445 35.889 24.960 1.00 0.00 SOLV O ATOM 13000 H1 TIP3 3657 5.508 36.025 25.224 1.00 0.00 SOLV H ATOM 13001 H2 TIP3 3657 6.848 36.721 25.300 1.00 0.00 SOLV H ATOM 13002 OH2 TIP3 3658 14.246 32.086 20.718 1.00 0.00 SOLV O ATOM 13003 H1 TIP3 3658 14.411 31.606 21.556 1.00 0.00 SOLV H ATOM 13004 H2 TIP3 3658 13.326 31.829 20.521 1.00 0.00 SOLV H ATOM 13005 OH2 TIP3 3659 18.561 36.275 20.884 1.00 0.00 SOLV O ATOM 13006 H1 TIP3 3659 19.155 37.013 20.657 1.00 0.00 SOLV H ATOM 13007 H2 TIP3 3659 17.753 36.786 21.097 1.00 0.00 SOLV H ATOM 13008 OH2 TIP3 3660 2.567 22.675 33.348 1.00 0.00 SOLV O ATOM 13009 H1 TIP3 3660 1.608 22.753 33.236 1.00 0.00 SOLV H ATOM 13010 H2 TIP3 3660 2.628 21.975 34.023 1.00 0.00 SOLV H ATOM 13011 OH2 TIP3 3661 15.115 30.908 23.134 1.00 0.00 SOLV O ATOM 13012 H1 TIP3 3661 14.683 30.086 23.456 1.00 0.00 SOLV H ATOM 13013 H2 TIP3 3661 16.040 30.580 23.067 1.00 0.00 SOLV H ATOM 13014 OH2 TIP3 3662 2.111 34.386 31.828 1.00 0.00 SOLV O ATOM 13015 H1 TIP3 3662 2.702 33.645 32.072 1.00 0.00 SOLV H ATOM 13016 H2 TIP3 3662 2.424 35.090 32.418 1.00 0.00 SOLV H ATOM 13017 OH2 TIP3 3663 8.122 33.012 19.143 1.00 0.00 SOLV O ATOM 13018 H1 TIP3 3663 8.114 32.141 18.700 1.00 0.00 SOLV H ATOM 13019 H2 TIP3 3663 7.630 32.814 19.965 1.00 0.00 SOLV H ATOM 13020 OH2 TIP3 3664 6.858 32.698 21.579 1.00 0.00 SOLV O ATOM 13021 H1 TIP3 3664 7.318 32.182 22.253 1.00 0.00 SOLV H ATOM 13022 H2 TIP3 3664 6.971 33.617 21.913 1.00 0.00 SOLV H ATOM 13023 OH2 TIP3 3665 3.471 29.755 22.105 1.00 0.00 SOLV O ATOM 13024 H1 TIP3 3665 2.741 30.259 22.543 1.00 0.00 SOLV H ATOM 13025 H2 TIP3 3665 3.870 30.503 21.614 1.00 0.00 SOLV H ATOM 13026 OH2 TIP3 3666 12.191 21.698 23.824 1.00 0.00 SOLV O ATOM 13027 H1 TIP3 3666 12.296 22.073 22.923 1.00 0.00 SOLV H ATOM 13028 H2 TIP3 3666 12.600 22.394 24.379 1.00 0.00 SOLV H ATOM 13029 OH2 TIP3 3667 9.853 34.170 22.261 1.00 0.00 SOLV O ATOM 13030 H1 TIP3 3667 8.925 34.447 22.409 1.00 0.00 SOLV H ATOM 13031 H2 TIP3 3667 10.184 34.956 21.798 1.00 0.00 SOLV H ATOM 13032 OH2 TIP3 3668 9.145 24.005 24.372 1.00 0.00 SOLV O ATOM 13033 H1 TIP3 3668 9.883 24.631 24.529 1.00 0.00 SOLV H ATOM 13034 H2 TIP3 3668 8.939 23.724 25.287 1.00 0.00 SOLV H ATOM 13035 OH2 TIP3 3669 9.791 20.786 24.940 1.00 0.00 SOLV O ATOM 13036 H1 TIP3 3669 9.567 21.540 25.520 1.00 0.00 SOLV H ATOM 13037 H2 TIP3 3669 10.659 21.082 24.576 1.00 0.00 SOLV H ATOM 13038 OH2 TIP3 3670 7.356 35.217 22.487 1.00 0.00 SOLV O ATOM 13039 H1 TIP3 3670 7.308 36.073 22.005 1.00 0.00 SOLV H ATOM 13040 H2 TIP3 3670 6.986 35.477 23.362 1.00 0.00 SOLV H ATOM 13041 OH2 TIP3 3671 5.812 22.223 21.876 1.00 0.00 SOLV O ATOM 13042 H1 TIP3 3671 5.810 23.019 22.445 1.00 0.00 SOLV H ATOM 13043 H2 TIP3 3671 6.702 21.876 22.101 1.00 0.00 SOLV H ATOM 13044 OH2 TIP3 3672 14.629 26.125 27.988 1.00 0.00 SOLV O ATOM 13045 H1 TIP3 3672 13.756 25.714 27.845 1.00 0.00 SOLV H ATOM 13046 H2 TIP3 3672 15.048 25.520 28.636 1.00 0.00 SOLV H ATOM 13047 OH2 TIP3 3673 4.241 32.054 20.798 1.00 0.00 SOLV O ATOM 13048 H1 TIP3 3673 5.009 32.511 21.192 1.00 0.00 SOLV H ATOM 13049 H2 TIP3 3673 4.705 31.541 20.103 1.00 0.00 SOLV H ATOM 13050 OH2 TIP3 3674 1.787 25.137 20.299 1.00 0.00 SOLV O ATOM 13051 H1 TIP3 3674 2.061 26.072 20.368 1.00 0.00 SOLV H ATOM 13052 H2 TIP3 3674 1.602 25.045 19.341 1.00 0.00 SOLV H ATOM 13053 OH2 TIP3 3675 3.178 20.024 28.672 1.00 0.00 SOLV O ATOM 13054 H1 TIP3 3675 3.080 19.854 27.709 1.00 0.00 SOLV H ATOM 13055 H2 TIP3 3675 2.853 19.177 29.054 1.00 0.00 SOLV H ATOM 13056 OH2 TIP3 3676 2.101 33.928 24.720 1.00 0.00 SOLV O ATOM 13057 H1 TIP3 3676 1.377 34.133 25.331 1.00 0.00 SOLV H ATOM 13058 H2 TIP3 3676 1.936 34.557 23.981 1.00 0.00 SOLV H ATOM 13059 OH2 TIP3 3677 1.841 36.718 36.318 1.00 0.00 SOLV O ATOM 13060 H1 TIP3 3677 2.315 36.768 37.175 1.00 0.00 SOLV H ATOM 13061 H2 TIP3 3677 1.925 35.758 36.162 1.00 0.00 SOLV H ATOM 13062 OH2 TIP3 3678 5.765 35.218 37.822 1.00 0.00 SOLV O ATOM 13063 H1 TIP3 3678 6.638 34.878 38.057 1.00 0.00 SOLV H ATOM 13064 H2 TIP3 3678 5.613 34.771 36.964 1.00 0.00 SOLV H ATOM 13065 OH2 TIP3 3679 10.180 34.814 19.118 1.00 0.00 SOLV O ATOM 13066 H1 TIP3 3679 9.465 34.135 19.164 1.00 0.00 SOLV H ATOM 13067 H2 TIP3 3679 10.928 34.278 18.790 1.00 0.00 SOLV H ATOM 13068 OH2 TIP3 3680 12.409 33.859 36.748 1.00 0.00 SOLV O ATOM 13069 H1 TIP3 3680 12.112 32.967 37.043 1.00 0.00 SOLV H ATOM 13070 H2 TIP3 3680 13.167 34.015 37.334 1.00 0.00 SOLV H ATOM 13071 OH2 TIP3 3681 14.565 34.504 19.476 1.00 0.00 SOLV O ATOM 13072 H1 TIP3 3681 14.604 33.644 19.947 1.00 0.00 SOLV H ATOM 13073 H2 TIP3 3681 15.304 34.440 18.841 1.00 0.00 SOLV H ATOM 13074 OH2 TIP3 3682 1.401 30.334 36.919 1.00 0.00 SOLV O ATOM 13075 H1 TIP3 3682 1.477 29.372 36.739 1.00 0.00 SOLV H ATOM 13076 H2 TIP3 3682 0.457 30.484 36.757 1.00 0.00 SOLV H ATOM 13077 OH2 TIP3 3683 5.644 30.278 19.352 1.00 0.00 SOLV O ATOM 13078 H1 TIP3 3683 5.985 29.790 20.129 1.00 0.00 SOLV H ATOM 13079 H2 TIP3 3683 6.468 30.361 18.824 1.00 0.00 SOLV H ATOM 13080 OH2 TIP3 3684 7.900 30.476 36.749 1.00 0.00 SOLV O ATOM 13081 H1 TIP3 3684 7.683 30.960 35.922 1.00 0.00 SOLV H ATOM 13082 H2 TIP3 3684 8.020 29.559 36.436 1.00 0.00 SOLV H ATOM 13083 OH2 TIP3 3685 11.514 31.694 19.357 1.00 0.00 SOLV O ATOM 13084 H1 TIP3 3685 11.120 31.614 20.248 1.00 0.00 SOLV H ATOM 13085 H2 TIP3 3685 11.346 30.791 18.999 1.00 0.00 SOLV H ATOM 13086 OH2 TIP3 3686 1.781 27.646 36.723 1.00 0.00 SOLV O ATOM 13087 H1 TIP3 3686 2.475 27.055 36.400 1.00 0.00 SOLV H ATOM 13088 H2 TIP3 3686 1.981 27.649 37.687 1.00 0.00 SOLV H ATOM 13089 OH2 TIP3 3687 6.763 28.788 21.577 1.00 0.00 SOLV O ATOM 13090 H1 TIP3 3687 6.220 28.300 22.219 1.00 0.00 SOLV H ATOM 13091 H2 TIP3 3687 7.177 28.065 21.059 1.00 0.00 SOLV H ATOM 13092 OH2 TIP3 3688 6.226 26.531 34.071 1.00 0.00 SOLV O ATOM 13093 H1 TIP3 3688 5.477 27.154 33.956 1.00 0.00 SOLV H ATOM 13094 H2 TIP3 3688 6.922 26.924 33.494 1.00 0.00 SOLV H ATOM 13095 OH2 TIP3 3689 7.994 26.926 19.912 1.00 0.00 SOLV O ATOM 13096 H1 TIP3 3689 8.010 27.232 18.979 1.00 0.00 SOLV H ATOM 13097 H2 TIP3 3689 8.946 26.730 20.048 1.00 0.00 SOLV H ATOM 13098 OH2 TIP3 3690 11.044 29.067 37.263 1.00 0.00 SOLV O ATOM 13099 H1 TIP3 3690 11.942 29.040 36.910 1.00 0.00 SOLV H ATOM 13100 H2 TIP3 3690 10.979 28.263 37.808 1.00 0.00 SOLV H ATOM 13101 OH2 TIP3 3691 17.065 29.035 19.495 1.00 0.00 SOLV O ATOM 13102 H1 TIP3 3691 17.057 28.825 18.537 1.00 0.00 SOLV H ATOM 13103 H2 TIP3 3691 16.898 30.005 19.438 1.00 0.00 SOLV H ATOM 13104 OH2 TIP3 3692 6.784 24.017 34.875 1.00 0.00 SOLV O ATOM 13105 H1 TIP3 3692 6.749 23.375 34.141 1.00 0.00 SOLV H ATOM 13106 H2 TIP3 3692 6.540 24.867 34.443 1.00 0.00 SOLV H ATOM 13107 OH2 TIP3 3693 6.985 22.234 32.671 1.00 0.00 SOLV O ATOM 13108 H1 TIP3 3693 7.458 22.846 32.079 1.00 0.00 SOLV H ATOM 13109 H2 TIP3 3693 6.097 22.188 32.250 1.00 0.00 SOLV H ATOM 13110 OH2 TIP3 3694 8.333 27.398 32.672 1.00 0.00 SOLV O ATOM 13111 H1 TIP3 3694 9.252 27.372 32.346 1.00 0.00 SOLV H ATOM 13112 H2 TIP3 3694 8.010 28.260 32.328 1.00 0.00 SOLV H ATOM 13113 OH2 TIP3 3695 4.940 24.708 36.878 1.00 0.00 SOLV O ATOM 13114 H1 TIP3 3695 4.210 24.068 36.794 1.00 0.00 SOLV H ATOM 13115 H2 TIP3 3695 5.520 24.473 36.132 1.00 0.00 SOLV H ATOM 13116 OH2 TIP3 3696 7.809 19.564 33.030 1.00 0.00 SOLV O ATOM 13117 H1 TIP3 3696 7.454 20.472 32.915 1.00 0.00 SOLV H ATOM 13118 H2 TIP3 3696 7.075 19.034 32.650 1.00 0.00 SOLV H ATOM 13119 OH2 TIP3 3697 9.208 24.094 36.207 1.00 0.00 SOLV O ATOM 13120 H1 TIP3 3697 8.946 23.770 37.082 1.00 0.00 SOLV H ATOM 13121 H2 TIP3 3697 8.328 24.084 35.771 1.00 0.00 SOLV H ATOM 13122 OH2 TIP3 3698 13.632 21.757 37.369 1.00 0.00 SOLV O ATOM 13123 H1 TIP3 3698 13.441 20.791 37.384 1.00 0.00 SOLV H ATOM 13124 H2 TIP3 3698 13.205 22.045 38.204 1.00 0.00 SOLV H ATOM 13125 OH2 TIP3 3699 2.924 22.776 36.819 1.00 0.00 SOLV O ATOM 13126 H1 TIP3 3699 2.867 21.941 36.314 1.00 0.00 SOLV H ATOM 13127 H2 TIP3 3699 3.112 22.429 37.715 1.00 0.00 SOLV H ATOM 13128 OH2 TIP3 3700 7.905 19.046 35.768 1.00 0.00 SOLV O ATOM 13129 H1 TIP3 3700 8.404 18.210 35.705 1.00 0.00 SOLV H ATOM 13130 H2 TIP3 3700 7.755 19.238 34.823 1.00 0.00 SOLV H ATOM 13131 OH2 TIP3 3701 8.365 20.712 37.925 1.00 0.00 SOLV O ATOM 13132 H1 TIP3 3701 8.225 20.168 37.118 1.00 0.00 SOLV H ATOM 13133 H2 TIP3 3701 7.714 21.436 37.797 1.00 0.00 SOLV H ATOM 13134 OH2 TIP3 3702 7.851 37.612 21.160 1.00 0.00 SOLV O ATOM 13135 H1 TIP3 3702 8.783 37.333 21.095 1.00 0.00 SOLV H ATOM 13136 H2 TIP3 3702 7.841 38.312 20.479 1.00 0.00 SOLV H ATOM 13137 OH2 TIP3 3703 1.647 32.520 19.969 1.00 0.00 SOLV O ATOM 13138 H1 TIP3 3703 2.520 32.387 20.394 1.00 0.00 SOLV H ATOM 13139 H2 TIP3 3703 1.501 31.663 19.529 1.00 0.00 SOLV H ATOM 13140 OH2 TIP3 3704 1.138 35.516 27.255 1.00 0.00 SOLV O ATOM 13141 H1 TIP3 3704 1.072 34.654 27.728 1.00 0.00 SOLV H ATOM 13142 H2 TIP3 3704 1.683 36.009 27.897 1.00 0.00 SOLV H ATOM 13143 OH2 TIP3 3705 17.717 30.068 23.242 1.00 0.00 SOLV O ATOM 13144 H1 TIP3 3705 18.546 30.584 23.264 1.00 0.00 SOLV H ATOM 13145 H2 TIP3 3705 17.818 29.491 24.037 1.00 0.00 SOLV H ATOM 13146 OH2 TIP3 3706 17.997 28.395 25.341 1.00 0.00 SOLV O ATOM 13147 H1 TIP3 3706 17.264 27.761 25.510 1.00 0.00 SOLV H ATOM 13148 H2 TIP3 3706 18.718 28.058 25.911 1.00 0.00 SOLV H ATOM 13149 OH2 TIP3 3707 18.482 27.979 21.574 1.00 0.00 SOLV O ATOM 13150 H1 TIP3 3707 17.999 28.190 20.742 1.00 0.00 SOLV H ATOM 13151 H2 TIP3 3707 18.120 28.684 22.145 1.00 0.00 SOLV H ATOM 13152 OH2 TIP3 3708 16.775 25.201 20.012 1.00 0.00 SOLV O ATOM 13153 H1 TIP3 3708 16.770 25.642 19.156 1.00 0.00 SOLV H ATOM 13154 H2 TIP3 3708 16.502 24.296 19.741 1.00 0.00 SOLV H ATOM 13155 OH2 TIP3 3709 15.860 26.696 25.628 1.00 0.00 SOLV O ATOM 13156 H1 TIP3 3709 15.844 25.805 25.224 1.00 0.00 SOLV H ATOM 13157 H2 TIP3 3709 15.454 26.518 26.508 1.00 0.00 SOLV H ATOM 13158 OH2 TIP3 3710 1.067 29.579 30.118 1.00 0.00 SOLV O ATOM 13159 H1 TIP3 3710 1.155 29.293 29.192 1.00 0.00 SOLV H ATOM 13160 H2 TIP3 3710 1.757 29.018 30.530 1.00 0.00 SOLV H ATOM 13161 OH2 TIP3 3711 18.810 26.741 35.628 1.00 0.00 SOLV O ATOM 13162 H1 TIP3 3711 17.862 26.623 35.783 1.00 0.00 SOLV H ATOM 13163 H2 TIP3 3711 19.140 25.823 35.691 1.00 0.00 SOLV H ATOM 13164 OH2 TIP3 3712 16.014 22.763 19.155 1.00 0.00 SOLV O ATOM 13165 H1 TIP3 3712 16.490 22.124 19.719 1.00 0.00 SOLV H ATOM 13166 H2 TIP3 3712 15.190 22.301 18.920 1.00 0.00 SOLV H ATOM 13167 OH2 TIP3 3713 15.814 24.302 24.115 1.00 0.00 SOLV O ATOM 13168 H1 TIP3 3713 16.036 23.340 24.150 1.00 0.00 SOLV H ATOM 13169 H2 TIP3 3713 16.560 24.623 23.569 1.00 0.00 SOLV H ATOM 13170 OH2 TIP3 3714 16.070 24.455 29.682 1.00 0.00 SOLV O ATOM 13171 H1 TIP3 3714 17.017 24.607 29.452 1.00 0.00 SOLV H ATOM 13172 H2 TIP3 3714 16.122 24.468 30.649 1.00 0.00 SOLV H ATOM 13173 OH2 TIP3 3715 15.940 25.758 32.382 1.00 0.00 SOLV O ATOM 13174 H1 TIP3 3715 15.064 25.963 32.014 1.00 0.00 SOLV H ATOM 13175 H2 TIP3 3715 16.461 26.489 32.023 1.00 0.00 SOLV H ATOM 13176 OH2 TIP3 3716 0.858 24.581 36.344 1.00 0.00 SOLV O ATOM 13177 H1 TIP3 3716 1.646 24.009 36.478 1.00 0.00 SOLV H ATOM 13178 H2 TIP3 3716 0.213 23.912 36.051 1.00 0.00 SOLV H ATOM 13179 OH2 TIP3 3717 18.619 19.678 37.594 1.00 0.00 SOLV O ATOM 13180 H1 TIP3 3717 19.221 18.951 37.314 1.00 0.00 SOLV H ATOM 13181 H2 TIP3 3717 18.752 20.318 36.868 1.00 0.00 SOLV H ATOM 13182 OH2 TIP3 3718 16.291 21.594 24.250 1.00 0.00 SOLV O ATOM 13183 H1 TIP3 3718 16.494 21.125 25.084 1.00 0.00 SOLV H ATOM 13184 H2 TIP3 3718 15.615 20.997 23.864 1.00 0.00 SOLV H ATOM 13185 OH2 TIP3 3719 1.601 22.308 28.783 1.00 0.00 SOLV O ATOM 13186 H1 TIP3 3719 2.073 21.453 28.855 1.00 0.00 SOLV H ATOM 13187 H2 TIP3 3719 2.310 22.923 29.034 1.00 0.00 SOLV H ATOM 13188 OH2 TIP3 3720 0.384 26.781 29.594 1.00 0.00 SOLV O ATOM 13189 H1 TIP3 3720 0.772 26.375 28.801 1.00 0.00 SOLV H ATOM 13190 H2 TIP3 3720 1.190 27.044 30.074 1.00 0.00 SOLV H ATOM 13191 OH2 TIP3 3721 18.059 21.661 35.732 1.00 0.00 SOLV O ATOM 13192 H1 TIP3 3721 17.366 21.973 36.360 1.00 0.00 SOLV H ATOM 13193 H2 TIP3 3721 17.543 21.101 35.114 1.00 0.00 SOLV H ATOM 13194 OH2 TIP3 3722 17.889 21.370 20.798 1.00 0.00 SOLV O ATOM 13195 H1 TIP3 3722 18.352 20.811 20.139 1.00 0.00 SOLV H ATOM 13196 H2 TIP3 3722 18.612 21.950 21.118 1.00 0.00 SOLV H ATOM 13197 OH2 TIP3 3723 1.230 20.897 23.903 1.00 0.00 SOLV O ATOM 13198 H1 TIP3 3723 0.261 20.941 23.907 1.00 0.00 SOLV H ATOM 13199 H2 TIP3 3723 1.436 21.747 23.457 1.00 0.00 SOLV H ATOM 13200 OH2 TIP3 3724 15.534 36.537 26.164 1.00 0.00 SOLV O ATOM 13201 H1 TIP3 3724 15.594 36.589 25.191 1.00 0.00 SOLV H ATOM 13202 H2 TIP3 3724 16.462 36.337 26.354 1.00 0.00 SOLV H ATOM 13203 OH2 TIP3 3725 0.588 20.078 32.144 1.00 0.00 SOLV O ATOM 13204 H1 TIP3 3725 -0.296 19.878 32.499 1.00 0.00 SOLV H ATOM 13205 H2 TIP3 3725 0.443 20.936 31.732 1.00 0.00 SOLV H ATOM 13206 OH2 TIP3 3726 2.375 33.839 36.435 1.00 0.00 SOLV O ATOM 13207 H1 TIP3 3726 2.142 33.076 35.885 1.00 0.00 SOLV H ATOM 13208 H2 TIP3 3726 2.087 33.530 37.321 1.00 0.00 SOLV H ATOM 13209 OH2 TIP3 3727 5.669 34.612 32.598 1.00 0.00 SOLV O ATOM 13210 H1 TIP3 3727 5.422 35.523 32.327 1.00 0.00 SOLV H ATOM 13211 H2 TIP3 3727 6.626 34.666 32.387 1.00 0.00 SOLV H ATOM 13212 OH2 TIP3 3728 9.644 35.773 35.446 1.00 0.00 SOLV O ATOM 13213 H1 TIP3 3728 9.798 35.504 36.377 1.00 0.00 SOLV H ATOM 13214 H2 TIP3 3728 10.466 36.269 35.259 1.00 0.00 SOLV H ATOM 13215 OH2 TIP3 3729 11.969 37.158 34.963 1.00 0.00 SOLV O ATOM 13216 H1 TIP3 3729 12.595 36.428 34.897 1.00 0.00 SOLV H ATOM 13217 H2 TIP3 3729 12.273 37.578 35.800 1.00 0.00 SOLV H ATOM 13218 OH2 TIP3 3730 16.997 19.755 34.069 1.00 0.00 SOLV O ATOM 13219 H1 TIP3 3730 16.487 19.893 33.255 1.00 0.00 SOLV H ATOM 13220 H2 TIP3 3730 17.370 18.853 33.903 1.00 0.00 SOLV H ATOM 13221 OH2 TIP3 3731 2.848 37.539 32.777 1.00 0.00 SOLV O ATOM 13222 H1 TIP3 3731 2.054 37.979 32.399 1.00 0.00 SOLV H ATOM 13223 H2 TIP3 3731 2.825 37.888 33.679 1.00 0.00 SOLV H ATOM 13224 OH2 TIP3 3732 5.414 37.227 31.864 1.00 0.00 SOLV O ATOM 13225 H1 TIP3 3732 4.472 37.388 32.107 1.00 0.00 SOLV H ATOM 13226 H2 TIP3 3732 5.480 37.713 31.018 1.00 0.00 SOLV H ATOM 13227 OH2 TIP3 3733 10.014 36.893 30.816 1.00 0.00 SOLV O ATOM 13228 H1 TIP3 3733 9.459 37.441 30.235 1.00 0.00 SOLV H ATOM 13229 H2 TIP3 3733 10.268 37.536 31.510 1.00 0.00 SOLV H ATOM 13230 OH2 TIP3 3734 2.472 36.352 29.525 1.00 0.00 SOLV O ATOM 13231 H1 TIP3 3734 2.092 35.803 30.238 1.00 0.00 SOLV H ATOM 13232 H2 TIP3 3734 3.222 35.791 29.242 1.00 0.00 SOLV H ATOM 13233 OH2 TIP3 3735 4.493 34.926 28.395 1.00 0.00 SOLV O ATOM 13234 H1 TIP3 3735 4.326 34.006 28.715 1.00 0.00 SOLV H ATOM 13235 H2 TIP3 3735 5.414 35.064 28.691 1.00 0.00 SOLV H ATOM 13236 OH2 TIP3 3736 7.143 35.249 29.350 1.00 0.00 SOLV O ATOM 13237 H1 TIP3 3736 7.232 34.292 29.152 1.00 0.00 SOLV H ATOM 13238 H2 TIP3 3736 7.474 35.243 30.271 1.00 0.00 SOLV H ATOM 13239 OH2 TIP3 3737 10.398 21.044 28.464 1.00 0.00 SOLV O ATOM 13240 H1 TIP3 3737 9.780 20.302 28.586 1.00 0.00 SOLV H ATOM 13241 H2 TIP3 3737 11.144 20.628 27.994 1.00 0.00 SOLV H ATOM 13242 OH2 TIP3 3738 15.425 19.714 28.658 1.00 0.00 SOLV O ATOM 13243 H1 TIP3 3738 16.100 19.854 27.964 1.00 0.00 SOLV H ATOM 13244 H2 TIP3 3738 14.603 19.626 28.144 1.00 0.00 SOLV H ATOM 13245 OH2 TIP3 3739 17.163 20.315 26.581 1.00 0.00 SOLV O ATOM 13246 H1 TIP3 3739 17.884 19.730 26.254 1.00 0.00 SOLV H ATOM 13247 H2 TIP3 3739 17.700 21.123 26.755 1.00 0.00 SOLV H ATOM 13248 OH2 TIP3 3740 2.930 19.693 25.909 1.00 0.00 SOLV O ATOM 13249 H1 TIP3 3740 2.260 19.803 25.207 1.00 0.00 SOLV H ATOM 13250 H2 TIP3 3740 3.184 18.747 25.804 1.00 0.00 SOLV H ATOM 13251 OH2 TIP3 3741 1.818 19.314 21.678 1.00 0.00 SOLV O ATOM 13252 H1 TIP3 3741 2.281 19.949 21.106 1.00 0.00 SOLV H ATOM 13253 H2 TIP3 3741 1.703 19.822 22.505 1.00 0.00 SOLV H ATOM 13254 OH2 TIP3 3742 7.550 19.349 25.932 1.00 0.00 SOLV O ATOM 13255 H1 TIP3 3742 8.311 19.829 25.562 1.00 0.00 SOLV H ATOM 13256 H2 TIP3 3742 7.589 19.587 26.866 1.00 0.00 SOLV H ATOM 13257 OH2 TIP3 3743 12.865 19.896 27.352 1.00 0.00 SOLV O ATOM 13258 H1 TIP3 3743 13.081 19.690 26.432 1.00 0.00 SOLV H ATOM 13259 H2 TIP3 3743 12.520 19.030 27.670 1.00 0.00 SOLV H ATOM 13260 OH2 TIP3 3744 14.310 19.929 23.235 1.00 0.00 SOLV O ATOM 13261 H1 TIP3 3744 13.501 20.468 23.332 1.00 0.00 SOLV H ATOM 13262 H2 TIP3 3744 13.940 19.027 23.345 1.00 0.00 SOLV H ATOM 13263 OH2 TIP3 3745 1.719 35.652 22.633 1.00 0.00 SOLV O ATOM 13264 H1 TIP3 3745 1.065 35.246 22.057 1.00 0.00 SOLV H ATOM 13265 H2 TIP3 3745 1.772 36.564 22.267 1.00 0.00 SOLV H ATOM 13266 OH2 TIP3 3746 3.686 21.263 20.282 1.00 0.00 SOLV O ATOM 13267 H1 TIP3 3746 4.160 20.688 19.642 1.00 0.00 SOLV H ATOM 13268 H2 TIP3 3746 4.426 21.535 20.866 1.00 0.00 SOLV H ATOM 13269 OH2 TIP3 3747 8.411 21.911 22.765 1.00 0.00 SOLV O ATOM 13270 H1 TIP3 3747 8.743 21.194 23.331 1.00 0.00 SOLV H ATOM 13271 H2 TIP3 3747 8.702 22.692 23.286 1.00 0.00 SOLV H ATOM 13272 OH2 TIP3 3748 10.438 36.682 21.060 1.00 0.00 SOLV O ATOM 13273 H1 TIP3 3748 11.396 36.849 20.952 1.00 0.00 SOLV H ATOM 13274 H2 TIP3 3748 10.280 36.141 20.250 1.00 0.00 SOLV H ATOM 13275 OH2 TIP3 3749 16.980 36.264 23.842 1.00 0.00 SOLV O ATOM 13276 H1 TIP3 3749 16.859 35.352 23.487 1.00 0.00 SOLV H ATOM 13277 H2 TIP3 3749 16.859 36.808 23.034 1.00 0.00 SOLV H ATOM 13278 OH2 TIP3 3750 2.774 20.322 35.468 1.00 0.00 SOLV O ATOM 13279 H1 TIP3 3750 2.195 19.565 35.705 1.00 0.00 SOLV H ATOM 13280 H2 TIP3 3750 3.586 20.056 35.951 1.00 0.00 SOLV H ATOM 13281 OH2 TIP3 3751 4.864 19.581 37.171 1.00 0.00 SOLV O ATOM 13282 H1 TIP3 3751 5.741 19.209 36.986 1.00 0.00 SOLV H ATOM 13283 H2 TIP3 3751 4.434 18.824 37.627 1.00 0.00 SOLV H ATOM 13284 OH2 TIP3 3752 3.492 36.501 19.588 1.00 0.00 SOLV O ATOM 13285 H1 TIP3 3752 3.243 36.345 20.508 1.00 0.00 SOLV H ATOM 13286 H2 TIP3 3752 4.239 35.867 19.468 1.00 0.00 SOLV H ATOM 13287 OH2 TIP3 3753 13.439 19.028 37.288 1.00 0.00 SOLV O ATOM 13288 H1 TIP3 3753 13.283 18.523 38.118 1.00 0.00 SOLV H ATOM 13289 H2 TIP3 3753 14.392 18.839 37.134 1.00 0.00 SOLV H ATOM 13290 OH2 TIP3 3754 19.535 25.556 24.559 1.00 0.00 SOLV O ATOM 13291 H1 TIP3 3754 19.244 26.462 24.697 1.00 0.00 SOLV H ATOM 13292 H2 TIP3 3754 18.992 25.302 23.789 1.00 0.00 SOLV H ATOM 13293 OH2 TIP3 3755 20.400 27.641 26.460 1.00 0.00 SOLV O ATOM 13294 H1 TIP3 3755 20.543 26.812 26.963 1.00 0.00 SOLV H ATOM 13295 H2 TIP3 3755 21.033 27.519 25.733 1.00 0.00 SOLV H ATOM 13296 OH2 TIP3 3756 23.778 23.248 27.514 1.00 0.00 SOLV O ATOM 13297 H1 TIP3 3756 24.480 23.861 27.233 1.00 0.00 SOLV H ATOM 13298 H2 TIP3 3756 23.669 22.724 26.701 1.00 0.00 SOLV H ATOM 13299 OH2 TIP3 3757 21.296 25.435 27.860 1.00 0.00 SOLV O ATOM 13300 H1 TIP3 3757 21.795 24.744 28.318 1.00 0.00 SOLV H ATOM 13301 H2 TIP3 3757 21.482 25.118 26.941 1.00 0.00 SOLV H ATOM 13302 OH2 TIP3 3758 20.048 31.646 23.043 1.00 0.00 SOLV O ATOM 13303 H1 TIP3 3758 19.947 31.858 22.092 1.00 0.00 SOLV H ATOM 13304 H2 TIP3 3758 20.138 32.532 23.418 1.00 0.00 SOLV H ATOM 13305 OH2 TIP3 3759 27.110 18.968 29.268 1.00 0.00 SOLV O ATOM 13306 H1 TIP3 3759 26.549 18.188 29.105 1.00 0.00 SOLV H ATOM 13307 H2 TIP3 3759 26.478 19.683 29.393 1.00 0.00 SOLV H ATOM 13308 OH2 TIP3 3760 29.827 26.945 20.263 1.00 0.00 SOLV O ATOM 13309 H1 TIP3 3760 29.563 26.478 21.065 1.00 0.00 SOLV H ATOM 13310 H2 TIP3 3760 30.499 26.345 19.874 1.00 0.00 SOLV H ATOM 13311 OH2 TIP3 3761 35.545 19.218 21.787 1.00 0.00 SOLV O ATOM 13312 H1 TIP3 3761 34.683 19.517 22.141 1.00 0.00 SOLV H ATOM 13313 H2 TIP3 3761 35.922 20.068 21.479 1.00 0.00 SOLV H ATOM 13314 OH2 TIP3 3762 23.056 28.217 24.177 1.00 0.00 SOLV O ATOM 13315 H1 TIP3 3762 22.814 28.532 23.295 1.00 0.00 SOLV H ATOM 13316 H2 TIP3 3762 23.612 27.439 23.981 1.00 0.00 SOLV H ATOM 13317 OH2 TIP3 3763 36.826 33.646 20.326 1.00 0.00 SOLV O ATOM 13318 H1 TIP3 3763 37.051 34.591 20.449 1.00 0.00 SOLV H ATOM 13319 H2 TIP3 3763 37.727 33.260 20.215 1.00 0.00 SOLV H ATOM 13320 OH2 TIP3 3764 33.038 28.608 19.830 1.00 0.00 SOLV O ATOM 13321 H1 TIP3 3764 33.029 28.336 18.900 1.00 0.00 SOLV H ATOM 13322 H2 TIP3 3764 34.002 28.667 19.982 1.00 0.00 SOLV H ATOM 13323 OH2 TIP3 3765 28.726 22.405 20.362 1.00 0.00 SOLV O ATOM 13324 H1 TIP3 3765 28.151 22.272 21.145 1.00 0.00 SOLV H ATOM 13325 H2 TIP3 3765 28.341 21.734 19.764 1.00 0.00 SOLV H ATOM 13326 OH2 TIP3 3766 24.563 25.288 25.594 1.00 0.00 SOLV O ATOM 13327 H1 TIP3 3766 23.657 25.011 25.393 1.00 0.00 SOLV H ATOM 13328 H2 TIP3 3766 24.916 25.372 24.675 1.00 0.00 SOLV H ATOM 13329 OH2 TIP3 3767 18.987 22.337 26.741 1.00 0.00 SOLV O ATOM 13330 H1 TIP3 3767 19.769 22.477 27.300 1.00 0.00 SOLV H ATOM 13331 H2 TIP3 3767 19.381 22.175 25.862 1.00 0.00 SOLV H ATOM 13332 OH2 TIP3 3768 19.715 23.189 21.895 1.00 0.00 SOLV O ATOM 13333 H1 TIP3 3768 20.419 23.568 21.324 1.00 0.00 SOLV H ATOM 13334 H2 TIP3 3768 19.187 24.000 22.017 1.00 0.00 SOLV H ATOM 13335 OH2 TIP3 3769 21.896 24.442 25.450 1.00 0.00 SOLV O ATOM 13336 H1 TIP3 3769 21.117 24.579 24.877 1.00 0.00 SOLV H ATOM 13337 H2 TIP3 3769 22.217 23.546 25.203 1.00 0.00 SOLV H ATOM 13338 OH2 TIP3 3770 23.139 22.013 25.070 1.00 0.00 SOLV O ATOM 13339 H1 TIP3 3770 22.746 21.148 25.323 1.00 0.00 SOLV H ATOM 13340 H2 TIP3 3770 23.560 21.810 24.221 1.00 0.00 SOLV H ATOM 13341 OH2 TIP3 3771 31.301 22.771 21.190 1.00 0.00 SOLV O ATOM 13342 H1 TIP3 3771 30.391 22.850 20.822 1.00 0.00 SOLV H ATOM 13343 H2 TIP3 3771 31.543 23.691 21.415 1.00 0.00 SOLV H ATOM 13344 OH2 TIP3 3772 32.529 25.091 22.340 1.00 0.00 SOLV O ATOM 13345 H1 TIP3 3772 33.306 24.597 22.629 1.00 0.00 SOLV H ATOM 13346 H2 TIP3 3772 32.933 25.879 21.956 1.00 0.00 SOLV H ATOM 13347 OH2 TIP3 3773 36.294 25.662 22.552 1.00 0.00 SOLV O ATOM 13348 H1 TIP3 3773 36.022 25.467 21.631 1.00 0.00 SOLV H ATOM 13349 H2 TIP3 3773 36.997 26.308 22.378 1.00 0.00 SOLV H ATOM 13350 OH2 TIP3 3774 35.034 33.674 22.543 1.00 0.00 SOLV O ATOM 13351 H1 TIP3 3774 35.509 33.584 23.382 1.00 0.00 SOLV H ATOM 13352 H2 TIP3 3774 35.737 33.652 21.873 1.00 0.00 SOLV H ATOM 13353 OH2 TIP3 3775 21.065 27.857 20.503 1.00 0.00 SOLV O ATOM 13354 H1 TIP3 3775 21.511 28.529 21.057 1.00 0.00 SOLV H ATOM 13355 H2 TIP3 3775 20.179 27.824 20.922 1.00 0.00 SOLV H ATOM 13356 OH2 TIP3 3776 33.101 32.062 20.472 1.00 0.00 SOLV O ATOM 13357 H1 TIP3 3776 33.425 31.987 21.382 1.00 0.00 SOLV H ATOM 13358 H2 TIP3 3776 32.322 31.490 20.460 1.00 0.00 SOLV H ATOM 13359 OH2 TIP3 3777 37.294 36.378 20.999 1.00 0.00 SOLV O ATOM 13360 H1 TIP3 3777 38.004 37.066 20.994 1.00 0.00 SOLV H ATOM 13361 H2 TIP3 3777 36.550 36.947 20.716 1.00 0.00 SOLV H ATOM 13362 OH2 TIP3 3778 26.899 32.761 19.298 1.00 0.00 SOLV O ATOM 13363 H1 TIP3 3778 27.414 32.765 18.479 1.00 0.00 SOLV H ATOM 13364 H2 TIP3 3778 26.434 31.918 19.154 1.00 0.00 SOLV H ATOM 13365 OH2 TIP3 3779 22.079 29.935 22.071 1.00 0.00 SOLV O ATOM 13366 H1 TIP3 3779 21.366 30.345 22.599 1.00 0.00 SOLV H ATOM 13367 H2 TIP3 3779 22.530 30.718 21.713 1.00 0.00 SOLV H ATOM 13368 OH2 TIP3 3780 30.847 21.437 23.497 1.00 0.00 SOLV O ATOM 13369 H1 TIP3 3780 30.943 21.779 22.577 1.00 0.00 SOLV H ATOM 13370 H2 TIP3 3780 31.314 22.126 23.988 1.00 0.00 SOLV H ATOM 13371 OH2 TIP3 3781 28.472 20.670 24.622 1.00 0.00 SOLV O ATOM 13372 H1 TIP3 3781 28.571 21.212 25.416 1.00 0.00 SOLV H ATOM 13373 H2 TIP3 3781 29.337 20.840 24.174 1.00 0.00 SOLV H ATOM 13374 OH2 TIP3 3782 24.483 22.351 21.811 1.00 0.00 SOLV O ATOM 13375 H1 TIP3 3782 24.587 23.310 21.983 1.00 0.00 SOLV H ATOM 13376 H2 TIP3 3782 25.392 22.039 21.984 1.00 0.00 SOLV H ATOM 13377 OH2 TIP3 3783 23.254 32.336 20.975 1.00 0.00 SOLV O ATOM 13378 H1 TIP3 3783 23.340 33.165 20.473 1.00 0.00 SOLV H ATOM 13379 H2 TIP3 3783 23.757 31.715 20.396 1.00 0.00 SOLV H ATOM 13380 OH2 TIP3 3784 20.819 25.048 20.211 1.00 0.00 SOLV O ATOM 13381 H1 TIP3 3784 21.218 25.908 20.429 1.00 0.00 SOLV H ATOM 13382 H2 TIP3 3784 20.708 25.117 19.257 1.00 0.00 SOLV H ATOM 13383 OH2 TIP3 3785 21.338 19.965 28.606 1.00 0.00 SOLV O ATOM 13384 H1 TIP3 3785 21.760 19.857 27.732 1.00 0.00 SOLV H ATOM 13385 H2 TIP3 3785 21.422 19.073 28.990 1.00 0.00 SOLV H ATOM 13386 OH2 TIP3 3786 28.992 34.836 19.136 1.00 0.00 SOLV O ATOM 13387 H1 TIP3 3786 28.477 34.083 19.463 1.00 0.00 SOLV H ATOM 13388 H2 TIP3 3786 29.844 34.415 18.907 1.00 0.00 SOLV H ATOM 13389 OH2 TIP3 3787 33.330 34.851 19.277 1.00 0.00 SOLV O ATOM 13390 H1 TIP3 3787 33.496 34.356 20.098 1.00 0.00 SOLV H ATOM 13391 H2 TIP3 3787 34.149 34.675 18.776 1.00 0.00 SOLV H ATOM 13392 OH2 TIP3 3788 24.665 30.500 19.678 1.00 0.00 SOLV O ATOM 13393 H1 TIP3 3788 24.799 29.697 20.228 1.00 0.00 SOLV H ATOM 13394 H2 TIP3 3788 25.313 30.328 18.952 1.00 0.00 SOLV H ATOM 13395 OH2 TIP3 3789 30.053 31.744 19.342 1.00 0.00 SOLV O ATOM 13396 H1 TIP3 3789 29.622 31.538 20.178 1.00 0.00 SOLV H ATOM 13397 H2 TIP3 3789 30.106 30.841 18.946 1.00 0.00 SOLV H ATOM 13398 OH2 TIP3 3790 25.512 28.574 21.543 1.00 0.00 SOLV O ATOM 13399 H1 TIP3 3790 25.277 27.905 22.221 1.00 0.00 SOLV H ATOM 13400 H2 TIP3 3790 26.002 27.969 20.969 1.00 0.00 SOLV H ATOM 13401 OH2 TIP3 3791 35.744 29.063 19.452 1.00 0.00 SOLV O ATOM 13402 H1 TIP3 3791 35.928 28.724 18.562 1.00 0.00 SOLV H ATOM 13403 H2 TIP3 3791 35.661 30.024 19.273 1.00 0.00 SOLV H ATOM 13404 OH2 TIP3 3792 21.499 22.700 36.890 1.00 0.00 SOLV O ATOM 13405 H1 TIP3 3792 21.536 21.929 36.292 1.00 0.00 SOLV H ATOM 13406 H2 TIP3 3792 21.817 22.299 37.721 1.00 0.00 SOLV H ATOM 13407 OH2 TIP3 3793 27.036 20.570 37.791 1.00 0.00 SOLV O ATOM 13408 H1 TIP3 3793 26.794 20.379 36.882 1.00 0.00 SOLV H ATOM 13409 H2 TIP3 3793 26.499 21.384 37.944 1.00 0.00 SOLV H ATOM 13410 OH2 TIP3 3794 20.308 32.162 20.349 1.00 0.00 SOLV O ATOM 13411 H1 TIP3 3794 21.270 32.111 20.471 1.00 0.00 SOLV H ATOM 13412 H2 TIP3 3794 20.157 31.426 19.709 1.00 0.00 SOLV H ATOM 13413 OH2 TIP3 3795 19.034 37.120 25.486 1.00 0.00 SOLV O ATOM 13414 H1 TIP3 3795 18.444 36.829 24.767 1.00 0.00 SOLV H ATOM 13415 H2 TIP3 3795 19.861 36.668 25.292 1.00 0.00 SOLV H ATOM 13416 OH2 TIP3 3796 36.713 29.935 23.383 1.00 0.00 SOLV O ATOM 13417 H1 TIP3 3796 37.277 30.658 23.672 1.00 0.00 SOLV H ATOM 13418 H2 TIP3 3796 36.197 29.734 24.173 1.00 0.00 SOLV H ATOM 13419 OH2 TIP3 3797 37.378 28.043 21.476 1.00 0.00 SOLV O ATOM 13420 H1 TIP3 3797 36.746 28.226 20.749 1.00 0.00 SOLV H ATOM 13421 H2 TIP3 3797 37.090 28.709 22.136 1.00 0.00 SOLV H ATOM 13422 OH2 TIP3 3798 35.422 25.407 19.951 1.00 0.00 SOLV O ATOM 13423 H1 TIP3 3798 35.941 25.577 19.152 1.00 0.00 SOLV H ATOM 13424 H2 TIP3 3798 35.104 24.492 19.772 1.00 0.00 SOLV H ATOM 13425 OH2 TIP3 3799 34.699 22.866 19.406 1.00 0.00 SOLV O ATOM 13426 H1 TIP3 3799 35.380 22.311 19.842 1.00 0.00 SOLV H ATOM 13427 H2 TIP3 3799 34.167 22.220 18.921 1.00 0.00 SOLV H ATOM 13428 OH2 TIP3 3800 19.430 24.004 35.587 1.00 0.00 SOLV O ATOM 13429 H1 TIP3 3800 20.264 23.790 36.062 1.00 0.00 SOLV H ATOM 13430 H2 TIP3 3800 18.996 23.125 35.664 1.00 0.00 SOLV H ATOM 13431 OH2 TIP3 3801 35.025 21.585 24.509 1.00 0.00 SOLV O ATOM 13432 H1 TIP3 3801 35.761 20.983 24.676 1.00 0.00 SOLV H ATOM 13433 H2 TIP3 3801 34.390 21.004 24.051 1.00 0.00 SOLV H ATOM 13434 OH2 TIP3 3802 20.794 22.569 28.997 1.00 0.00 SOLV O ATOM 13435 H1 TIP3 3802 20.771 21.590 28.883 1.00 0.00 SOLV H ATOM 13436 H2 TIP3 3802 21.738 22.647 29.197 1.00 0.00 SOLV H ATOM 13437 OH2 TIP3 3803 18.754 24.822 29.330 1.00 0.00 SOLV O ATOM 13438 H1 TIP3 3803 19.158 24.314 28.607 1.00 0.00 SOLV H ATOM 13439 H2 TIP3 3803 19.546 25.233 29.691 1.00 0.00 SOLV H ATOM 13440 OH2 TIP3 3804 36.703 21.403 20.644 1.00 0.00 SOLV O ATOM 13441 H1 TIP3 3804 37.187 20.869 19.982 1.00 0.00 SOLV H ATOM 13442 H2 TIP3 3804 37.363 21.520 21.362 1.00 0.00 SOLV H ATOM 13443 OH2 TIP3 3805 19.300 21.482 23.966 1.00 0.00 SOLV O ATOM 13444 H1 TIP3 3805 18.337 21.441 23.859 1.00 0.00 SOLV H ATOM 13445 H2 TIP3 3805 19.547 22.136 23.278 1.00 0.00 SOLV H ATOM 13446 OH2 TIP3 3806 19.153 19.850 31.997 1.00 0.00 SOLV O ATOM 13447 H1 TIP3 3806 18.817 20.188 32.840 1.00 0.00 SOLV H ATOM 13448 H2 TIP3 3806 18.879 20.570 31.394 1.00 0.00 SOLV H ATOM 13449 OH2 TIP3 3807 31.689 37.088 34.850 1.00 0.00 SOLV O ATOM 13450 H1 TIP3 3807 32.509 37.101 34.347 1.00 0.00 SOLV H ATOM 13451 H2 TIP3 3807 31.775 37.822 35.459 1.00 0.00 SOLV H ATOM 13452 OH2 TIP3 3808 21.794 19.701 25.798 1.00 0.00 SOLV O ATOM 13453 H1 TIP3 3808 20.838 19.582 25.630 1.00 0.00 SOLV H ATOM 13454 H2 TIP3 3808 22.111 18.776 25.720 1.00 0.00 SOLV H ATOM 13455 OH2 TIP3 3809 20.590 19.585 21.880 1.00 0.00 SOLV O ATOM 13456 H1 TIP3 3809 21.169 20.166 21.347 1.00 0.00 SOLV H ATOM 13457 H2 TIP3 3809 20.320 20.174 22.604 1.00 0.00 SOLV H ATOM 13458 OH2 TIP3 3810 26.379 19.241 25.955 1.00 0.00 SOLV O ATOM 13459 H1 TIP3 3810 27.014 19.694 25.376 1.00 0.00 SOLV H ATOM 13460 H2 TIP3 3810 26.571 19.630 26.818 1.00 0.00 SOLV H ATOM 13461 OH2 TIP3 3811 31.824 19.625 27.408 1.00 0.00 SOLV O ATOM 13462 H1 TIP3 3811 32.372 19.201 26.726 1.00 0.00 SOLV H ATOM 13463 H2 TIP3 3811 31.389 18.850 27.814 1.00 0.00 SOLV H ATOM 13464 OH2 TIP3 3812 33.198 19.887 23.182 1.00 0.00 SOLV O ATOM 13465 H1 TIP3 3812 32.337 20.341 23.174 1.00 0.00 SOLV H ATOM 13466 H2 TIP3 3812 32.904 18.965 23.352 1.00 0.00 SOLV H ATOM 13467 OH2 TIP3 3813 20.521 35.491 22.720 1.00 0.00 SOLV O ATOM 13468 H1 TIP3 3813 19.758 35.593 22.124 1.00 0.00 SOLV H ATOM 13469 H2 TIP3 3813 20.801 36.414 22.795 1.00 0.00 SOLV H ATOM 13470 OH2 TIP3 3814 22.491 21.188 20.320 1.00 0.00 SOLV O ATOM 13471 H1 TIP3 3814 23.061 20.659 19.731 1.00 0.00 SOLV H ATOM 13472 H2 TIP3 3814 23.165 21.612 20.902 1.00 0.00 SOLV H ATOM 13473 OH2 TIP3 3815 27.141 22.132 22.575 1.00 0.00 SOLV O ATOM 13474 H1 TIP3 3815 27.501 21.599 23.308 1.00 0.00 SOLV H ATOM 13475 H2 TIP3 3815 26.958 22.991 22.989 1.00 0.00 SOLV H ATOM 13476 OH2 TIP3 3816 35.241 36.762 23.399 1.00 0.00 SOLV O ATOM 13477 H1 TIP3 3816 35.183 35.948 23.925 1.00 0.00 SOLV H ATOM 13478 H2 TIP3 3816 36.042 36.612 22.872 1.00 0.00 SOLV H ATOM 13479 OH2 TIP3 3817 21.572 20.122 35.609 1.00 0.00 SOLV O ATOM 13480 H1 TIP3 3817 21.059 19.324 35.851 1.00 0.00 SOLV H ATOM 13481 H2 TIP3 3817 22.415 19.943 36.070 1.00 0.00 SOLV H ATOM 13482 OH2 TIP3 3818 23.646 19.510 37.381 1.00 0.00 SOLV O ATOM 13483 H1 TIP3 3818 24.509 19.081 37.329 1.00 0.00 SOLV H ATOM 13484 H2 TIP3 3818 23.120 18.784 37.783 1.00 0.00 SOLV H ATOM 13485 OH2 TIP3 3819 22.332 36.433 19.478 1.00 0.00 SOLV O ATOM 13486 H1 TIP3 3819 22.003 36.576 20.378 1.00 0.00 SOLV H ATOM 13487 H2 TIP3 3819 23.082 35.815 19.604 1.00 0.00 SOLV H ATOM 13488 OH2 TIP3 3820 32.401 18.742 37.272 1.00 0.00 SOLV O ATOM 13489 H1 TIP3 3820 32.184 18.163 38.031 1.00 0.00 SOLV H ATOM 13490 H2 TIP3 3820 32.558 19.575 37.738 1.00 0.00 SOLV H ATOM 13491 OH2 TIP3 3821 55.764 22.102 30.813 1.00 0.00 SOLV O ATOM 13492 H1 TIP3 3821 56.003 22.815 31.440 1.00 0.00 SOLV H ATOM 13493 H2 TIP3 3821 56.167 22.417 29.988 1.00 0.00 SOLV H ATOM 13494 OH2 TIP3 3822 49.912 24.941 29.974 1.00 0.00 SOLV O ATOM 13495 H1 TIP3 3822 50.329 24.058 30.009 1.00 0.00 SOLV H ATOM 13496 H2 TIP3 3822 50.002 25.149 29.019 1.00 0.00 SOLV H ATOM 13497 OH2 TIP3 3823 43.454 23.010 26.970 1.00 0.00 SOLV O ATOM 13498 H1 TIP3 3823 43.101 23.910 26.977 1.00 0.00 SOLV H ATOM 13499 H2 TIP3 3823 42.990 22.644 26.199 1.00 0.00 SOLV H ATOM 13500 OH2 TIP3 3824 51.326 23.442 25.599 1.00 0.00 SOLV O ATOM 13501 H1 TIP3 3824 51.734 23.024 26.397 1.00 0.00 SOLV H ATOM 13502 H2 TIP3 3824 52.133 23.757 25.151 1.00 0.00 SOLV H ATOM 13503 OH2 TIP3 3825 56.217 23.785 33.008 1.00 0.00 SOLV O ATOM 13504 H1 TIP3 3825 55.487 24.379 32.748 1.00 0.00 SOLV H ATOM 13505 H2 TIP3 3825 56.290 23.978 33.959 1.00 0.00 SOLV H ATOM 13506 OH2 TIP3 3826 52.576 22.742 27.883 1.00 0.00 SOLV O ATOM 13507 H1 TIP3 3826 52.093 22.276 28.581 1.00 0.00 SOLV H ATOM 13508 H2 TIP3 3826 53.140 23.352 28.414 1.00 0.00 SOLV H ATOM 13509 OH2 TIP3 3827 53.145 21.278 31.572 1.00 0.00 SOLV O ATOM 13510 H1 TIP3 3827 52.451 21.707 31.044 1.00 0.00 SOLV H ATOM 13511 H2 TIP3 3827 53.965 21.611 31.153 1.00 0.00 SOLV H ATOM 13512 OH2 TIP3 3828 45.928 19.082 28.945 1.00 0.00 SOLV O ATOM 13513 H1 TIP3 3828 45.616 18.150 28.871 1.00 0.00 SOLV H ATOM 13514 H2 TIP3 3828 45.113 19.481 29.314 1.00 0.00 SOLV H ATOM 13515 OH2 TIP3 3829 48.811 28.620 23.828 1.00 0.00 SOLV O ATOM 13516 H1 TIP3 3829 47.920 28.971 23.565 1.00 0.00 SOLV H ATOM 13517 H2 TIP3 3829 49.270 28.542 22.969 1.00 0.00 SOLV H ATOM 13518 OH2 TIP3 3830 48.516 26.782 20.082 1.00 0.00 SOLV O ATOM 13519 H1 TIP3 3830 48.824 26.839 20.990 1.00 0.00 SOLV H ATOM 13520 H2 TIP3 3830 49.203 26.211 19.667 1.00 0.00 SOLV H ATOM 13521 OH2 TIP3 3831 50.808 28.072 22.106 1.00 0.00 SOLV O ATOM 13522 H1 TIP3 3831 50.973 27.106 22.220 1.00 0.00 SOLV H ATOM 13523 H2 TIP3 3831 51.269 28.223 21.254 1.00 0.00 SOLV H ATOM 13524 OH2 TIP3 3832 54.360 19.150 21.846 1.00 0.00 SOLV O ATOM 13525 H1 TIP3 3832 53.477 19.438 22.157 1.00 0.00 SOLV H ATOM 13526 H2 TIP3 3832 54.750 20.008 21.576 1.00 0.00 SOLV H ATOM 13527 OH2 TIP3 3833 55.640 33.631 20.480 1.00 0.00 SOLV O ATOM 13528 H1 TIP3 3833 55.952 34.560 20.413 1.00 0.00 SOLV H ATOM 13529 H2 TIP3 3833 56.495 33.147 20.447 1.00 0.00 SOLV H ATOM 13530 OH2 TIP3 3834 50.222 35.623 20.575 1.00 0.00 SOLV O ATOM 13531 H1 TIP3 3834 51.148 35.450 20.306 1.00 0.00 SOLV H ATOM 13532 H2 TIP3 3834 50.293 35.811 21.520 1.00 0.00 SOLV H ATOM 13533 OH2 TIP3 3835 53.497 25.140 35.659 1.00 0.00 SOLV O ATOM 13534 H1 TIP3 3835 52.625 25.166 35.231 1.00 0.00 SOLV H ATOM 13535 H2 TIP3 3835 53.663 24.180 35.618 1.00 0.00 SOLV H ATOM 13536 OH2 TIP3 3836 43.444 20.131 29.567 1.00 0.00 SOLV O ATOM 13537 H1 TIP3 3836 42.965 20.133 28.728 1.00 0.00 SOLV H ATOM 13538 H2 TIP3 3836 43.604 21.071 29.729 1.00 0.00 SOLV H ATOM 13539 OH2 TIP3 3837 48.148 19.917 33.158 1.00 0.00 SOLV O ATOM 13540 H1 TIP3 3837 48.642 19.391 33.824 1.00 0.00 SOLV H ATOM 13541 H2 TIP3 3837 47.215 19.711 33.384 1.00 0.00 SOLV H ATOM 13542 OH2 TIP3 3838 51.216 24.160 34.067 1.00 0.00 SOLV O ATOM 13543 H1 TIP3 3838 50.510 23.843 34.673 1.00 0.00 SOLV H ATOM 13544 H2 TIP3 3838 50.704 24.754 33.485 1.00 0.00 SOLV H ATOM 13545 OH2 TIP3 3839 52.231 28.531 19.929 1.00 0.00 SOLV O ATOM 13546 H1 TIP3 3839 51.917 28.481 18.994 1.00 0.00 SOLV H ATOM 13547 H2 TIP3 3839 53.206 28.544 19.783 1.00 0.00 SOLV H ATOM 13548 OH2 TIP3 3840 47.754 22.241 20.481 1.00 0.00 SOLV O ATOM 13549 H1 TIP3 3840 47.151 22.151 21.254 1.00 0.00 SOLV H ATOM 13550 H2 TIP3 3840 47.266 21.665 19.853 1.00 0.00 SOLV H ATOM 13551 OH2 TIP3 3841 49.220 25.960 24.719 1.00 0.00 SOLV O ATOM 13552 H1 TIP3 3841 48.911 26.822 24.372 1.00 0.00 SOLV H ATOM 13553 H2 TIP3 3841 49.806 25.640 24.016 1.00 0.00 SOLV H ATOM 13554 OH2 TIP3 3842 49.688 25.131 27.235 1.00 0.00 SOLV O ATOM 13555 H1 TIP3 3842 49.430 25.516 26.368 1.00 0.00 SOLV H ATOM 13556 H2 TIP3 3842 50.268 24.422 26.904 1.00 0.00 SOLV H ATOM 13557 OH2 TIP3 3843 44.586 22.862 19.331 1.00 0.00 SOLV O ATOM 13558 H1 TIP3 3843 44.135 22.596 20.164 1.00 0.00 SOLV H ATOM 13559 H2 TIP3 3843 43.975 23.567 19.026 1.00 0.00 SOLV H ATOM 13560 OH2 TIP3 3844 49.242 25.736 32.590 1.00 0.00 SOLV O ATOM 13561 H1 TIP3 3844 49.616 25.990 31.726 1.00 0.00 SOLV H ATOM 13562 H2 TIP3 3844 48.701 24.988 32.334 1.00 0.00 SOLV H ATOM 13563 OH2 TIP3 3845 46.276 22.673 26.660 1.00 0.00 SOLV O ATOM 13564 H1 TIP3 3845 45.309 22.777 26.798 1.00 0.00 SOLV H ATOM 13565 H2 TIP3 3845 46.622 22.797 27.556 1.00 0.00 SOLV H ATOM 13566 OH2 TIP3 3846 44.581 24.240 23.074 1.00 0.00 SOLV O ATOM 13567 H1 TIP3 3846 45.103 24.864 23.585 1.00 0.00 SOLV H ATOM 13568 H2 TIP3 3846 43.861 24.789 22.722 1.00 0.00 SOLV H ATOM 13569 OH2 TIP3 3847 50.509 22.185 30.049 1.00 0.00 SOLV O ATOM 13570 H1 TIP3 3847 50.006 22.219 30.892 1.00 0.00 SOLV H ATOM 13571 H2 TIP3 3847 49.837 21.759 29.477 1.00 0.00 SOLV H ATOM 13572 OH2 TIP3 3848 43.328 26.037 21.064 1.00 0.00 SOLV O ATOM 13573 H1 TIP3 3848 42.732 25.544 20.478 1.00 0.00 SOLV H ATOM 13574 H2 TIP3 3848 44.132 26.066 20.514 1.00 0.00 SOLV H ATOM 13575 OH2 TIP3 3849 47.322 25.093 28.780 1.00 0.00 SOLV O ATOM 13576 H1 TIP3 3849 47.890 25.388 28.049 1.00 0.00 SOLV H ATOM 13577 H2 TIP3 3849 48.008 24.791 29.390 1.00 0.00 SOLV H ATOM 13578 OH2 TIP3 3850 45.739 24.292 31.464 1.00 0.00 SOLV O ATOM 13579 H1 TIP3 3850 45.583 24.939 30.758 1.00 0.00 SOLV H ATOM 13580 H2 TIP3 3850 46.681 24.119 31.351 1.00 0.00 SOLV H ATOM 13581 OH2 TIP3 3851 46.393 29.631 23.018 1.00 0.00 SOLV O ATOM 13582 H1 TIP3 3851 45.757 29.203 22.409 1.00 0.00 SOLV H ATOM 13583 H2 TIP3 3851 45.785 30.150 23.555 1.00 0.00 SOLV H ATOM 13584 OH2 TIP3 3852 50.161 22.931 21.306 1.00 0.00 SOLV O ATOM 13585 H1 TIP3 3852 49.285 22.621 20.961 1.00 0.00 SOLV H ATOM 13586 H2 TIP3 3852 49.937 23.841 21.541 1.00 0.00 SOLV H ATOM 13587 OH2 TIP3 3853 51.350 25.429 22.495 1.00 0.00 SOLV O ATOM 13588 H1 TIP3 3853 51.863 24.975 23.194 1.00 0.00 SOLV H ATOM 13589 H2 TIP3 3853 51.801 25.058 21.717 1.00 0.00 SOLV H ATOM 13590 OH2 TIP3 3854 55.693 25.482 22.462 1.00 0.00 SOLV O ATOM 13591 H1 TIP3 3854 55.202 25.266 21.633 1.00 0.00 SOLV H ATOM 13592 H2 TIP3 3854 55.946 26.402 22.234 1.00 0.00 SOLV H ATOM 13593 OH2 TIP3 3855 56.315 31.014 35.053 1.00 0.00 SOLV O ATOM 13594 H1 TIP3 3855 55.454 31.402 35.256 1.00 0.00 SOLV H ATOM 13595 H2 TIP3 3855 56.126 30.359 34.363 1.00 0.00 SOLV H ATOM 13596 OH2 TIP3 3856 54.271 33.947 22.857 1.00 0.00 SOLV O ATOM 13597 H1 TIP3 3856 53.927 33.054 22.792 1.00 0.00 SOLV H ATOM 13598 H2 TIP3 3856 54.720 34.020 21.990 1.00 0.00 SOLV H ATOM 13599 OH2 TIP3 3857 39.900 27.938 20.506 1.00 0.00 SOLV O ATOM 13600 H1 TIP3 3857 40.359 28.437 21.190 1.00 0.00 SOLV H ATOM 13601 H2 TIP3 3857 38.976 27.940 20.849 1.00 0.00 SOLV H ATOM 13602 OH2 TIP3 3858 51.825 32.029 20.229 1.00 0.00 SOLV O ATOM 13603 H1 TIP3 3858 51.712 31.315 20.860 1.00 0.00 SOLV H ATOM 13604 H2 TIP3 3858 50.940 31.995 19.797 1.00 0.00 SOLV H ATOM 13605 OH2 TIP3 3859 56.357 36.265 20.832 1.00 0.00 SOLV O ATOM 13606 H1 TIP3 3859 56.966 37.022 20.734 1.00 0.00 SOLV H ATOM 13607 H2 TIP3 3859 55.513 36.730 20.894 1.00 0.00 SOLV H ATOM 13608 OH2 TIP3 3860 46.270 32.465 19.454 1.00 0.00 SOLV O ATOM 13609 H1 TIP3 3860 46.107 31.715 18.837 1.00 0.00 SOLV H ATOM 13610 H2 TIP3 3860 45.377 32.603 19.797 1.00 0.00 SOLV H ATOM 13611 OH2 TIP3 3861 49.042 22.416 32.402 1.00 0.00 SOLV O ATOM 13612 H1 TIP3 3861 49.521 22.554 33.232 1.00 0.00 SOLV H ATOM 13613 H2 TIP3 3861 48.619 21.549 32.592 1.00 0.00 SOLV H ATOM 13614 OH2 TIP3 3862 49.985 21.630 23.865 1.00 0.00 SOLV O ATOM 13615 H1 TIP3 3862 50.039 22.052 22.985 1.00 0.00 SOLV H ATOM 13616 H2 TIP3 3862 50.382 22.307 24.450 1.00 0.00 SOLV H ATOM 13617 OH2 TIP3 3863 47.157 24.048 24.475 1.00 0.00 SOLV O ATOM 13618 H1 TIP3 3863 47.805 24.681 24.816 1.00 0.00 SOLV H ATOM 13619 H2 TIP3 3863 46.783 23.650 25.286 1.00 0.00 SOLV H ATOM 13620 OH2 TIP3 3864 47.472 20.775 24.951 1.00 0.00 SOLV O ATOM 13621 H1 TIP3 3864 47.194 21.514 25.534 1.00 0.00 SOLV H ATOM 13622 H2 TIP3 3864 48.339 21.098 24.620 1.00 0.00 SOLV H ATOM 13623 OH2 TIP3 3865 43.421 22.020 21.643 1.00 0.00 SOLV O ATOM 13624 H1 TIP3 3865 42.893 22.446 22.352 1.00 0.00 SOLV H ATOM 13625 H2 TIP3 3865 44.290 21.957 22.083 1.00 0.00 SOLV H ATOM 13626 OH2 TIP3 3866 53.558 22.665 34.413 1.00 0.00 SOLV O ATOM 13627 H1 TIP3 3866 52.687 23.083 34.251 1.00 0.00 SOLV H ATOM 13628 H2 TIP3 3866 53.757 22.316 33.533 1.00 0.00 SOLV H ATOM 13629 OH2 TIP3 3867 40.057 25.251 19.625 1.00 0.00 SOLV O ATOM 13630 H1 TIP3 3867 40.071 26.056 20.165 1.00 0.00 SOLV H ATOM 13631 H2 TIP3 3867 39.850 24.557 20.266 1.00 0.00 SOLV H ATOM 13632 OH2 TIP3 3868 47.670 34.856 18.962 1.00 0.00 SOLV O ATOM 13633 H1 TIP3 3868 47.234 34.027 19.248 1.00 0.00 SOLV H ATOM 13634 H2 TIP3 3868 48.431 34.939 19.569 1.00 0.00 SOLV H ATOM 13635 OH2 TIP3 3869 52.545 34.619 19.472 1.00 0.00 SOLV O ATOM 13636 H1 TIP3 3869 52.551 33.684 19.744 1.00 0.00 SOLV H ATOM 13637 H2 TIP3 3869 53.139 34.625 18.692 1.00 0.00 SOLV H ATOM 13638 OH2 TIP3 3870 43.312 30.302 19.152 1.00 0.00 SOLV O ATOM 13639 H1 TIP3 3870 43.408 29.840 19.998 1.00 0.00 SOLV H ATOM 13640 H2 TIP3 3870 44.206 30.227 18.775 1.00 0.00 SOLV H ATOM 13641 OH2 TIP3 3871 49.224 31.699 19.554 1.00 0.00 SOLV O ATOM 13642 H1 TIP3 3871 48.269 31.903 19.566 1.00 0.00 SOLV H ATOM 13643 H2 TIP3 3871 49.204 30.755 19.265 1.00 0.00 SOLV H ATOM 13644 OH2 TIP3 3872 44.354 28.523 21.522 1.00 0.00 SOLV O ATOM 13645 H1 TIP3 3872 43.685 27.821 21.672 1.00 0.00 SOLV H ATOM 13646 H2 TIP3 3872 44.913 28.022 20.888 1.00 0.00 SOLV H ATOM 13647 OH2 TIP3 3873 45.733 26.970 19.787 1.00 0.00 SOLV O ATOM 13648 H1 TIP3 3873 45.728 27.227 18.843 1.00 0.00 SOLV H ATOM 13649 H2 TIP3 3873 46.665 26.699 19.901 1.00 0.00 SOLV H ATOM 13650 OH2 TIP3 3874 54.909 29.016 19.574 1.00 0.00 SOLV O ATOM 13651 H1 TIP3 3874 54.924 28.770 18.624 1.00 0.00 SOLV H ATOM 13652 H2 TIP3 3874 54.782 29.990 19.459 1.00 0.00 SOLV H ATOM 13653 OH2 TIP3 3875 44.374 21.900 32.119 1.00 0.00 SOLV O ATOM 13654 H1 TIP3 3875 44.864 22.697 31.841 1.00 0.00 SOLV H ATOM 13655 H2 TIP3 3875 43.587 22.287 32.536 1.00 0.00 SOLV H ATOM 13656 OH2 TIP3 3876 45.398 19.483 33.150 1.00 0.00 SOLV O ATOM 13657 H1 TIP3 3876 45.017 20.292 32.743 1.00 0.00 SOLV H ATOM 13658 H2 TIP3 3876 44.776 18.818 32.778 1.00 0.00 SOLV H ATOM 13659 OH2 TIP3 3877 49.299 23.047 35.663 1.00 0.00 SOLV O ATOM 13660 H1 TIP3 3877 48.439 22.855 36.067 1.00 0.00 SOLV H ATOM 13661 H2 TIP3 3877 49.917 22.634 36.306 1.00 0.00 SOLV H ATOM 13662 OH2 TIP3 3878 51.032 21.819 37.465 1.00 0.00 SOLV O ATOM 13663 H1 TIP3 3878 50.979 20.841 37.400 1.00 0.00 SOLV H ATOM 13664 H2 TIP3 3878 50.813 21.978 38.405 1.00 0.00 SOLV H ATOM 13665 OH2 TIP3 3879 45.493 18.993 35.892 1.00 0.00 SOLV O ATOM 13666 H1 TIP3 3879 46.053 18.198 35.829 1.00 0.00 SOLV H ATOM 13667 H2 TIP3 3879 45.395 19.208 34.946 1.00 0.00 SOLV H ATOM 13668 OH2 TIP3 3880 45.594 37.989 20.973 1.00 0.00 SOLV O ATOM 13669 H1 TIP3 3880 45.822 37.069 20.780 1.00 0.00 SOLV H ATOM 13670 H2 TIP3 3880 45.953 38.487 20.218 1.00 0.00 SOLV H ATOM 13671 OH2 TIP3 3881 39.335 32.535 19.985 1.00 0.00 SOLV O ATOM 13672 H1 TIP3 3881 39.926 32.475 20.758 1.00 0.00 SOLV H ATOM 13673 H2 TIP3 3881 39.355 31.627 19.619 1.00 0.00 SOLV H ATOM 13674 OH2 TIP3 3882 55.174 28.422 25.740 1.00 0.00 SOLV O ATOM 13675 H1 TIP3 3882 55.200 27.456 25.776 1.00 0.00 SOLV H ATOM 13676 H2 TIP3 3882 56.087 28.594 26.057 1.00 0.00 SOLV H ATOM 13677 OH2 TIP3 3883 56.275 28.071 21.703 1.00 0.00 SOLV O ATOM 13678 H1 TIP3 3883 55.764 28.230 20.872 1.00 0.00 SOLV H ATOM 13679 H2 TIP3 3883 56.411 28.977 22.004 1.00 0.00 SOLV H ATOM 13680 OH2 TIP3 3884 54.429 25.250 20.067 1.00 0.00 SOLV O ATOM 13681 H1 TIP3 3884 54.515 25.631 19.185 1.00 0.00 SOLV H ATOM 13682 H2 TIP3 3884 54.157 24.334 19.819 1.00 0.00 SOLV H ATOM 13683 OH2 TIP3 3885 55.743 26.222 36.750 1.00 0.00 SOLV O ATOM 13684 H1 TIP3 3885 54.930 25.941 36.273 1.00 0.00 SOLV H ATOM 13685 H2 TIP3 3885 56.402 25.622 36.358 1.00 0.00 SOLV H ATOM 13686 OH2 TIP3 3886 53.696 22.806 19.219 1.00 0.00 SOLV O ATOM 13687 H1 TIP3 3886 54.201 22.154 19.743 1.00 0.00 SOLV H ATOM 13688 H2 TIP3 3886 52.893 22.319 18.960 1.00 0.00 SOLV H ATOM 13689 OH2 TIP3 3887 53.362 24.149 23.865 1.00 0.00 SOLV O ATOM 13690 H1 TIP3 3887 53.602 23.188 23.920 1.00 0.00 SOLV H ATOM 13691 H2 TIP3 3887 54.219 24.516 23.577 1.00 0.00 SOLV H ATOM 13692 OH2 TIP3 3888 53.962 24.373 29.558 1.00 0.00 SOLV O ATOM 13693 H1 TIP3 3888 54.875 24.706 29.454 1.00 0.00 SOLV H ATOM 13694 H2 TIP3 3888 53.776 24.690 30.461 1.00 0.00 SOLV H ATOM 13695 OH2 TIP3 3889 54.033 25.595 32.072 1.00 0.00 SOLV O ATOM 13696 H1 TIP3 3889 53.228 26.024 32.424 1.00 0.00 SOLV H ATOM 13697 H2 TIP3 3889 54.602 26.356 31.906 1.00 0.00 SOLV H ATOM 13698 OH2 TIP3 3890 56.352 19.674 37.639 1.00 0.00 SOLV O ATOM 13699 H1 TIP3 3890 56.971 19.018 37.250 1.00 0.00 SOLV H ATOM 13700 H2 TIP3 3890 56.314 20.352 36.931 1.00 0.00 SOLV H ATOM 13701 OH2 TIP3 3891 54.035 21.529 24.172 1.00 0.00 SOLV O ATOM 13702 H1 TIP3 3891 54.216 21.144 25.055 1.00 0.00 SOLV H ATOM 13703 H2 TIP3 3891 53.345 20.911 23.848 1.00 0.00 SOLV H ATOM 13704 OH2 TIP3 3892 55.775 21.530 35.726 1.00 0.00 SOLV O ATOM 13705 H1 TIP3 3892 54.960 22.055 35.856 1.00 0.00 SOLV H ATOM 13706 H2 TIP3 3892 55.489 20.982 34.967 1.00 0.00 SOLV H ATOM 13707 OH2 TIP3 3893 55.590 21.380 20.774 1.00 0.00 SOLV O ATOM 13708 H1 TIP3 3893 56.036 20.791 20.129 1.00 0.00 SOLV H ATOM 13709 H2 TIP3 3893 56.331 21.932 21.100 1.00 0.00 SOLV H ATOM 13710 OH2 TIP3 3894 38.053 21.433 23.173 1.00 0.00 SOLV O ATOM 13711 H1 TIP3 3894 37.533 22.088 23.651 1.00 0.00 SOLV H ATOM 13712 H2 TIP3 3894 38.962 21.776 23.372 1.00 0.00 SOLV H ATOM 13713 OH2 TIP3 3895 54.852 19.607 33.887 1.00 0.00 SOLV O ATOM 13714 H1 TIP3 3895 54.052 19.687 33.339 1.00 0.00 SOLV H ATOM 13715 H2 TIP3 3895 55.104 18.672 33.703 1.00 0.00 SOLV H ATOM 13716 OH2 TIP3 3896 48.316 21.037 28.575 1.00 0.00 SOLV O ATOM 13717 H1 TIP3 3896 47.588 20.394 28.583 1.00 0.00 SOLV H ATOM 13718 H2 TIP3 3896 48.977 20.597 28.008 1.00 0.00 SOLV H ATOM 13719 OH2 TIP3 3897 53.219 19.198 28.241 1.00 0.00 SOLV O ATOM 13720 H1 TIP3 3897 53.822 19.785 27.732 1.00 0.00 SOLV H ATOM 13721 H2 TIP3 3897 52.346 19.575 28.016 1.00 0.00 SOLV H ATOM 13722 OH2 TIP3 3898 54.938 20.365 26.488 1.00 0.00 SOLV O ATOM 13723 H1 TIP3 3898 55.681 19.785 26.216 1.00 0.00 SOLV H ATOM 13724 H2 TIP3 3898 55.428 21.204 26.654 1.00 0.00 SOLV H ATOM 13725 OH2 TIP3 3899 39.250 19.481 21.605 1.00 0.00 SOLV O ATOM 13726 H1 TIP3 3899 39.892 20.084 21.171 1.00 0.00 SOLV H ATOM 13727 H2 TIP3 3899 38.868 20.090 22.274 1.00 0.00 SOLV H ATOM 13728 OH2 TIP3 3900 45.360 19.276 26.062 1.00 0.00 SOLV O ATOM 13729 H1 TIP3 3900 46.027 19.804 25.588 1.00 0.00 SOLV H ATOM 13730 H2 TIP3 3900 45.618 19.398 26.988 1.00 0.00 SOLV H ATOM 13731 OH2 TIP3 3901 50.605 19.818 27.355 1.00 0.00 SOLV O ATOM 13732 H1 TIP3 3901 50.744 19.524 26.446 1.00 0.00 SOLV H ATOM 13733 H2 TIP3 3901 50.260 18.992 27.771 1.00 0.00 SOLV H ATOM 13734 OH2 TIP3 3902 52.035 19.878 23.240 1.00 0.00 SOLV O ATOM 13735 H1 TIP3 3902 51.238 20.416 23.425 1.00 0.00 SOLV H ATOM 13736 H2 TIP3 3902 51.664 18.976 23.365 1.00 0.00 SOLV H ATOM 13737 OH2 TIP3 3903 39.584 35.529 22.396 1.00 0.00 SOLV O ATOM 13738 H1 TIP3 3903 38.717 35.729 22.016 1.00 0.00 SOLV H ATOM 13739 H2 TIP3 3903 39.627 36.121 23.156 1.00 0.00 SOLV H ATOM 13740 OH2 TIP3 3904 41.074 21.205 20.256 1.00 0.00 SOLV O ATOM 13741 H1 TIP3 3904 41.847 20.796 19.834 1.00 0.00 SOLV H ATOM 13742 H2 TIP3 3904 41.497 21.628 21.032 1.00 0.00 SOLV H ATOM 13743 OH2 TIP3 3905 46.207 21.884 22.689 1.00 0.00 SOLV O ATOM 13744 H1 TIP3 3905 46.490 21.370 23.464 1.00 0.00 SOLV H ATOM 13745 H2 TIP3 3905 46.052 22.768 23.082 1.00 0.00 SOLV H ATOM 13746 OH2 TIP3 3906 54.902 36.489 23.922 1.00 0.00 SOLV O ATOM 13747 H1 TIP3 3906 54.625 35.626 23.564 1.00 0.00 SOLV H ATOM 13748 H2 TIP3 3906 54.175 37.079 23.647 1.00 0.00 SOLV H ATOM 13749 OH2 TIP3 3907 42.641 19.807 37.429 1.00 0.00 SOLV O ATOM 13750 H1 TIP3 3907 43.361 19.397 36.928 1.00 0.00 SOLV H ATOM 13751 H2 TIP3 3907 42.086 19.032 37.652 1.00 0.00 SOLV H ATOM 13752 OH2 TIP3 3908 41.040 36.459 19.599 1.00 0.00 SOLV O ATOM 13753 H1 TIP3 3908 40.799 36.249 20.518 1.00 0.00 SOLV H ATOM 13754 H2 TIP3 3908 41.866 35.934 19.484 1.00 0.00 SOLV H ATOM 13755 OH2 TIP3 3909 51.157 19.032 37.282 1.00 0.00 SOLV O ATOM 13756 H1 TIP3 3909 51.011 18.535 38.118 1.00 0.00 SOLV H ATOM 13757 H2 TIP3 3909 52.111 18.871 37.128 1.00 0.00 SOLV H ATOM 13758 OH2 TIP3 3910 68.458 28.605 25.576 1.00 0.00 SOLV O ATOM 13759 H1 TIP3 3910 68.627 29.508 25.893 1.00 0.00 SOLV H ATOM 13760 H2 TIP3 3910 67.698 28.785 25.011 1.00 0.00 SOLV H ATOM 13761 OH2 TIP3 3911 67.056 28.429 29.557 1.00 0.00 SOLV O ATOM 13762 H1 TIP3 3911 67.895 27.960 29.755 1.00 0.00 SOLV H ATOM 13763 H2 TIP3 3911 66.753 27.927 28.790 1.00 0.00 SOLV H ATOM 13764 OH2 TIP3 3912 59.915 27.852 31.283 1.00 0.00 SOLV O ATOM 13765 H1 TIP3 3912 59.849 26.938 31.620 1.00 0.00 SOLV H ATOM 13766 H2 TIP3 3912 60.875 27.958 31.174 1.00 0.00 SOLV H ATOM 13767 OH2 TIP3 3913 60.851 32.375 29.136 1.00 0.00 SOLV O ATOM 13768 H1 TIP3 3913 60.627 31.435 28.997 1.00 0.00 SOLV H ATOM 13769 H2 TIP3 3913 61.813 32.321 29.305 1.00 0.00 SOLV H ATOM 13770 OH2 TIP3 3914 57.544 25.484 24.527 1.00 0.00 SOLV O ATOM 13771 H1 TIP3 3914 57.543 26.393 24.852 1.00 0.00 SOLV H ATOM 13772 H2 TIP3 3914 56.834 25.469 23.856 1.00 0.00 SOLV H ATOM 13773 OH2 TIP3 3915 57.869 27.867 26.503 1.00 0.00 SOLV O ATOM 13774 H1 TIP3 3915 57.985 27.107 27.115 1.00 0.00 SOLV H ATOM 13775 H2 TIP3 3915 58.680 28.359 26.703 1.00 0.00 SOLV H ATOM 13776 OH2 TIP3 3916 67.581 36.337 27.959 1.00 0.00 SOLV O ATOM 13777 H1 TIP3 3916 68.495 36.097 27.692 1.00 0.00 SOLV H ATOM 13778 H2 TIP3 3916 67.529 36.001 28.866 1.00 0.00 SOLV H ATOM 13779 OH2 TIP3 3917 65.589 30.737 29.932 1.00 0.00 SOLV O ATOM 13780 H1 TIP3 3917 65.993 29.854 29.765 1.00 0.00 SOLV H ATOM 13781 H2 TIP3 3917 66.372 31.169 30.324 1.00 0.00 SOLV H ATOM 13782 OH2 TIP3 3918 68.498 24.136 30.409 1.00 0.00 SOLV O ATOM 13783 H1 TIP3 3918 68.703 23.248 30.103 1.00 0.00 SOLV H ATOM 13784 H2 TIP3 3918 68.604 24.656 29.596 1.00 0.00 SOLV H ATOM 13785 OH2 TIP3 3919 62.316 23.078 27.394 1.00 0.00 SOLV O ATOM 13786 H1 TIP3 3919 62.454 23.920 26.914 1.00 0.00 SOLV H ATOM 13787 H2 TIP3 3919 61.870 22.552 26.696 1.00 0.00 SOLV H ATOM 13788 OH2 TIP3 3920 58.754 25.592 27.956 1.00 0.00 SOLV O ATOM 13789 H1 TIP3 3920 59.356 25.187 28.607 1.00 0.00 SOLV H ATOM 13790 H2 TIP3 3920 59.078 25.156 27.139 1.00 0.00 SOLV H ATOM 13791 OH2 TIP3 3921 63.727 26.957 27.602 1.00 0.00 SOLV O ATOM 13792 H1 TIP3 3921 64.499 26.440 27.937 1.00 0.00 SOLV H ATOM 13793 H2 TIP3 3921 63.321 26.296 26.998 1.00 0.00 SOLV H ATOM 13794 OH2 TIP3 3922 61.042 22.110 31.439 1.00 0.00 SOLV O ATOM 13795 H1 TIP3 3922 60.740 22.712 30.733 1.00 0.00 SOLV H ATOM 13796 H2 TIP3 3922 60.319 22.229 32.090 1.00 0.00 SOLV H ATOM 13797 OH2 TIP3 3923 67.994 31.557 24.939 1.00 0.00 SOLV O ATOM 13798 H1 TIP3 3923 67.912 31.740 23.989 1.00 0.00 SOLV H ATOM 13799 H2 TIP3 3923 67.781 32.434 25.316 1.00 0.00 SOLV H ATOM 13800 OH2 TIP3 3924 63.632 29.804 31.514 1.00 0.00 SOLV O ATOM 13801 H1 TIP3 3924 63.107 30.550 31.883 1.00 0.00 SOLV H ATOM 13802 H2 TIP3 3924 64.309 30.286 30.990 1.00 0.00 SOLV H ATOM 13803 OH2 TIP3 3925 60.592 23.890 29.347 1.00 0.00 SOLV O ATOM 13804 H1 TIP3 3925 61.219 24.423 29.884 1.00 0.00 SOLV H ATOM 13805 H2 TIP3 3925 61.212 23.547 28.661 1.00 0.00 SOLV H ATOM 13806 OH2 TIP3 3926 62.066 31.862 32.540 1.00 0.00 SOLV O ATOM 13807 H1 TIP3 3926 62.045 32.833 32.402 1.00 0.00 SOLV H ATOM 13808 H2 TIP3 3926 61.128 31.704 32.788 1.00 0.00 SOLV H ATOM 13809 OH2 TIP3 3927 57.875 31.470 23.160 1.00 0.00 SOLV O ATOM 13810 H1 TIP3 3927 57.795 31.942 22.311 1.00 0.00 SOLV H ATOM 13811 H2 TIP3 3927 58.173 32.186 23.757 1.00 0.00 SOLV H ATOM 13812 OH2 TIP3 3928 64.641 19.243 28.902 1.00 0.00 SOLV O ATOM 13813 H1 TIP3 3928 64.395 18.300 28.833 1.00 0.00 SOLV H ATOM 13814 H2 TIP3 3928 63.814 19.623 29.279 1.00 0.00 SOLV H ATOM 13815 OH2 TIP3 3929 67.271 28.259 22.855 1.00 0.00 SOLV O ATOM 13816 H1 TIP3 3929 66.446 28.786 22.806 1.00 0.00 SOLV H ATOM 13817 H2 TIP3 3929 67.925 28.971 22.800 1.00 0.00 SOLV H ATOM 13818 OH2 TIP3 3930 67.075 26.654 20.171 1.00 0.00 SOLV O ATOM 13819 H1 TIP3 3930 67.324 26.843 21.087 1.00 0.00 SOLV H ATOM 13820 H2 TIP3 3930 67.528 25.822 19.969 1.00 0.00 SOLV H ATOM 13821 OH2 TIP3 3931 62.273 28.960 26.406 1.00 0.00 SOLV O ATOM 13822 H1 TIP3 3931 62.015 28.585 25.537 1.00 0.00 SOLV H ATOM 13823 H2 TIP3 3931 62.839 28.246 26.776 1.00 0.00 SOLV H ATOM 13824 OH2 TIP3 3932 63.633 32.481 28.952 1.00 0.00 SOLV O ATOM 13825 H1 TIP3 3932 63.767 32.442 27.989 1.00 0.00 SOLV H ATOM 13826 H2 TIP3 3932 64.329 31.873 29.280 1.00 0.00 SOLV H ATOM 13827 OH2 TIP3 3933 62.497 27.845 29.958 1.00 0.00 SOLV O ATOM 13828 H1 TIP3 3933 63.045 27.619 29.173 1.00 0.00 SOLV H ATOM 13829 H2 TIP3 3933 63.052 28.516 30.415 1.00 0.00 SOLV H ATOM 13830 OH2 TIP3 3934 68.464 33.664 31.218 1.00 0.00 SOLV O ATOM 13831 H1 TIP3 3934 69.321 33.869 31.624 1.00 0.00 SOLV H ATOM 13832 H2 TIP3 3934 68.285 32.769 31.454 1.00 0.00 SOLV H ATOM 13833 OH2 TIP3 3935 63.624 32.101 34.788 1.00 0.00 SOLV O ATOM 13834 H1 TIP3 3935 63.007 32.774 35.157 1.00 0.00 SOLV H ATOM 13835 H2 TIP3 3935 63.143 31.870 33.966 1.00 0.00 SOLV H ATOM 13836 OH2 TIP3 3936 60.605 28.106 34.213 1.00 0.00 SOLV O ATOM 13837 H1 TIP3 3936 60.592 28.863 34.834 1.00 0.00 SOLV H ATOM 13838 H2 TIP3 3936 59.869 28.329 33.626 1.00 0.00 SOLV H ATOM 13839 OH2 TIP3 3937 67.449 34.319 25.531 1.00 0.00 SOLV O ATOM 13840 H1 TIP3 3937 67.331 34.810 26.360 1.00 0.00 SOLV H ATOM 13841 H2 TIP3 3937 67.214 35.005 24.884 1.00 0.00 SOLV H ATOM 13842 OH2 TIP3 3938 61.794 34.026 35.392 1.00 0.00 SOLV O ATOM 13843 H1 TIP3 3938 61.711 34.366 34.481 1.00 0.00 SOLV H ATOM 13844 H2 TIP3 3938 60.857 33.845 35.638 1.00 0.00 SOLV H ATOM 13845 OH2 TIP3 3939 61.392 28.111 23.819 1.00 0.00 SOLV O ATOM 13846 H1 TIP3 3939 60.840 28.726 23.293 1.00 0.00 SOLV H ATOM 13847 H2 TIP3 3939 60.985 27.258 23.635 1.00 0.00 SOLV H ATOM 13848 OH2 TIP3 3940 66.018 33.257 34.167 1.00 0.00 SOLV O ATOM 13849 H1 TIP3 3940 66.022 34.104 34.641 1.00 0.00 SOLV H ATOM 13850 H2 TIP3 3940 65.157 32.876 34.441 1.00 0.00 SOLV H ATOM 13851 OH2 TIP3 3941 66.781 36.964 24.011 1.00 0.00 SOLV O ATOM 13852 H1 TIP3 3941 66.783 37.134 23.060 1.00 0.00 SOLV H ATOM 13853 H2 TIP3 3941 66.698 37.853 24.394 1.00 0.00 SOLV H ATOM 13854 OH2 TIP3 3942 60.323 35.930 25.910 1.00 0.00 SOLV O ATOM 13855 H1 TIP3 3942 60.527 35.610 26.819 1.00 0.00 SOLV H ATOM 13856 H2 TIP3 3942 59.824 35.183 25.540 1.00 0.00 SOLV H ATOM 13857 OH2 TIP3 3943 59.534 31.640 33.642 1.00 0.00 SOLV O ATOM 13858 H1 TIP3 3943 59.874 31.408 34.530 1.00 0.00 SOLV H ATOM 13859 H2 TIP3 3943 58.645 31.276 33.678 1.00 0.00 SOLV H ATOM 13860 OH2 TIP3 3944 62.217 20.161 29.840 1.00 0.00 SOLV O ATOM 13861 H1 TIP3 3944 61.441 20.125 29.243 1.00 0.00 SOLV H ATOM 13862 H2 TIP3 3944 61.934 20.893 30.425 1.00 0.00 SOLV H ATOM 13863 OH2 TIP3 3945 66.867 19.738 33.179 1.00 0.00 SOLV O ATOM 13864 H1 TIP3 3945 66.933 19.357 34.066 1.00 0.00 SOLV H ATOM 13865 H2 TIP3 3945 65.889 19.694 33.056 1.00 0.00 SOLV H ATOM 13866 OH2 TIP3 3946 66.672 22.180 20.592 1.00 0.00 SOLV O ATOM 13867 H1 TIP3 3946 66.039 22.098 21.330 1.00 0.00 SOLV H ATOM 13868 H2 TIP3 3946 66.200 21.650 19.921 1.00 0.00 SOLV H ATOM 13869 OH2 TIP3 3947 62.302 25.309 30.967 1.00 0.00 SOLV O ATOM 13870 H1 TIP3 3947 61.644 25.398 31.690 1.00 0.00 SOLV H ATOM 13871 H2 TIP3 3947 62.387 26.235 30.653 1.00 0.00 SOLV H ATOM 13872 OH2 TIP3 3948 62.317 25.348 25.878 1.00 0.00 SOLV O ATOM 13873 H1 TIP3 3948 61.346 25.204 25.844 1.00 0.00 SOLV H ATOM 13874 H2 TIP3 3948 62.547 25.071 24.965 1.00 0.00 SOLV H ATOM 13875 OH2 TIP3 3949 67.529 25.755 24.378 1.00 0.00 SOLV O ATOM 13876 H1 TIP3 3949 67.248 26.670 24.542 1.00 0.00 SOLV H ATOM 13877 H2 TIP3 3949 67.524 25.743 23.413 1.00 0.00 SOLV H ATOM 13878 OH2 TIP3 3950 67.058 25.807 35.757 1.00 0.00 SOLV O ATOM 13879 H1 TIP3 3950 66.570 25.111 36.245 1.00 0.00 SOLV H ATOM 13880 H2 TIP3 3950 67.968 25.687 36.075 1.00 0.00 SOLV H ATOM 13881 OH2 TIP3 3951 68.164 24.828 27.524 1.00 0.00 SOLV O ATOM 13882 H1 TIP3 3951 68.285 25.541 26.890 1.00 0.00 SOLV H ATOM 13883 H2 TIP3 3951 68.594 24.082 27.057 1.00 0.00 SOLV H ATOM 13884 OH2 TIP3 3952 60.126 25.423 32.631 1.00 0.00 SOLV O ATOM 13885 H1 TIP3 3952 60.239 25.826 33.505 1.00 0.00 SOLV H ATOM 13886 H2 TIP3 3952 59.687 24.576 32.850 1.00 0.00 SOLV H ATOM 13887 OH2 TIP3 3953 63.430 22.875 19.342 1.00 0.00 SOLV O ATOM 13888 H1 TIP3 3953 63.002 22.696 20.202 1.00 0.00 SOLV H ATOM 13889 H2 TIP3 3953 62.810 23.539 18.974 1.00 0.00 SOLV H ATOM 13890 OH2 TIP3 3954 56.669 22.418 26.553 1.00 0.00 SOLV O ATOM 13891 H1 TIP3 3954 57.271 22.510 27.320 1.00 0.00 SOLV H ATOM 13892 H2 TIP3 3954 57.267 22.217 25.819 1.00 0.00 SOLV H ATOM 13893 OH2 TIP3 3955 57.457 23.220 21.864 1.00 0.00 SOLV O ATOM 13894 H1 TIP3 3955 58.154 23.620 21.300 1.00 0.00 SOLV H ATOM 13895 H2 TIP3 3955 56.964 24.027 22.092 1.00 0.00 SOLV H ATOM 13896 OH2 TIP3 3956 68.239 26.538 32.337 1.00 0.00 SOLV O ATOM 13897 H1 TIP3 3956 68.474 26.138 31.478 1.00 0.00 SOLV H ATOM 13898 H2 TIP3 3956 67.486 25.968 32.587 1.00 0.00 SOLV H ATOM 13899 OH2 TIP3 3957 65.039 22.843 26.822 1.00 0.00 SOLV O ATOM 13900 H1 TIP3 3957 64.171 22.822 27.267 1.00 0.00 SOLV H ATOM 13901 H2 TIP3 3957 65.610 22.378 27.464 1.00 0.00 SOLV H ATOM 13902 OH2 TIP3 3958 59.757 24.463 25.667 1.00 0.00 SOLV O ATOM 13903 H1 TIP3 3958 58.941 24.688 25.159 1.00 0.00 SOLV H ATOM 13904 H2 TIP3 3958 59.971 23.569 25.332 1.00 0.00 SOLV H ATOM 13905 OH2 TIP3 3959 62.766 24.470 23.337 1.00 0.00 SOLV O ATOM 13906 H1 TIP3 3959 63.734 24.416 23.482 1.00 0.00 SOLV H ATOM 13907 H2 TIP3 3959 62.689 24.948 22.478 1.00 0.00 SOLV H ATOM 13908 OH2 TIP3 3960 62.398 25.645 20.913 1.00 0.00 SOLV O ATOM 13909 H1 TIP3 3960 61.858 25.355 20.155 1.00 0.00 SOLV H ATOM 13910 H2 TIP3 3960 63.142 26.074 20.440 1.00 0.00 SOLV H ATOM 13911 OH2 TIP3 3961 60.375 30.359 35.964 1.00 0.00 SOLV O ATOM 13912 H1 TIP3 3961 61.043 30.396 36.676 1.00 0.00 SOLV H ATOM 13913 H2 TIP3 3961 59.558 30.291 36.493 1.00 0.00 SOLV H ATOM 13914 OH2 TIP3 3962 65.734 25.478 28.619 1.00 0.00 SOLV O ATOM 13915 H1 TIP3 3962 66.587 25.163 28.254 1.00 0.00 SOLV H ATOM 13916 H2 TIP3 3962 65.607 24.864 29.365 1.00 0.00 SOLV H ATOM 13917 OH2 TIP3 3963 60.949 21.899 25.281 1.00 0.00 SOLV O ATOM 13918 H1 TIP3 3963 60.349 21.155 25.520 1.00 0.00 SOLV H ATOM 13919 H2 TIP3 3963 61.464 21.492 24.573 1.00 0.00 SOLV H ATOM 13920 OH2 TIP3 3964 64.777 24.130 31.089 1.00 0.00 SOLV O ATOM 13921 H1 TIP3 3964 63.964 24.676 31.063 1.00 0.00 SOLV H ATOM 13922 H2 TIP3 3964 65.288 24.535 31.823 1.00 0.00 SOLV H ATOM 13923 OH2 TIP3 3965 65.257 30.146 22.823 1.00 0.00 SOLV O ATOM 13924 H1 TIP3 3965 64.482 29.732 22.379 1.00 0.00 SOLV H ATOM 13925 H2 TIP3 3965 64.867 30.353 23.710 1.00 0.00 SOLV H ATOM 13926 OH2 TIP3 3966 66.966 30.634 33.790 1.00 0.00 SOLV O ATOM 13927 H1 TIP3 3966 66.804 30.333 34.688 1.00 0.00 SOLV H ATOM 13928 H2 TIP3 3966 66.762 31.591 33.856 1.00 0.00 SOLV H ATOM 13929 OH2 TIP3 3967 60.526 29.557 28.467 1.00 0.00 SOLV O ATOM 13930 H1 TIP3 3967 61.135 29.441 27.707 1.00 0.00 SOLV H ATOM 13931 H2 TIP3 3967 60.942 28.973 29.123 1.00 0.00 SOLV H ATOM 13932 OH2 TIP3 3968 67.471 31.650 22.128 1.00 0.00 SOLV O ATOM 13933 H1 TIP3 3968 67.104 32.567 22.105 1.00 0.00 SOLV H ATOM 13934 H2 TIP3 3968 66.658 31.140 22.334 1.00 0.00 SOLV H ATOM 13935 OH2 TIP3 3969 64.816 27.637 36.006 1.00 0.00 SOLV O ATOM 13936 H1 TIP3 3969 64.184 27.267 35.365 1.00 0.00 SOLV H ATOM 13937 H2 TIP3 3969 65.635 27.166 35.753 1.00 0.00 SOLV H ATOM 13938 OH2 TIP3 3970 63.110 33.189 26.016 1.00 0.00 SOLV O ATOM 13939 H1 TIP3 3970 63.290 34.075 25.643 1.00 0.00 SOLV H ATOM 13940 H2 TIP3 3970 62.148 33.184 26.039 1.00 0.00 SOLV H ATOM 13941 OH2 TIP3 3971 58.835 27.760 20.626 1.00 0.00 SOLV O ATOM 13942 H1 TIP3 3971 59.291 28.473 21.125 1.00 0.00 SOLV H ATOM 13943 H2 TIP3 3971 57.945 27.795 21.030 1.00 0.00 SOLV H ATOM 13944 OH2 TIP3 3972 64.024 30.720 25.145 1.00 0.00 SOLV O ATOM 13945 H1 TIP3 3972 63.812 31.615 25.480 1.00 0.00 SOLV H ATOM 13946 H2 TIP3 3972 63.438 30.163 25.694 1.00 0.00 SOLV H ATOM 13947 OH2 TIP3 3973 64.902 34.895 31.794 1.00 0.00 SOLV O ATOM 13948 H1 TIP3 3973 65.551 35.581 31.504 1.00 0.00 SOLV H ATOM 13949 H2 TIP3 3973 65.507 34.254 32.210 1.00 0.00 SOLV H ATOM 13950 OH2 TIP3 3974 62.963 35.891 24.972 1.00 0.00 SOLV O ATOM 13951 H1 TIP3 3974 62.042 36.099 25.223 1.00 0.00 SOLV H ATOM 13952 H2 TIP3 3974 63.426 36.695 25.306 1.00 0.00 SOLV H ATOM 13953 OH2 TIP3 3975 67.978 31.000 31.270 1.00 0.00 SOLV O ATOM 13954 H1 TIP3 3975 67.648 30.543 32.094 1.00 0.00 SOLV H ATOM 13955 H2 TIP3 3975 68.469 30.276 30.795 1.00 0.00 SOLV H ATOM 13956 OH2 TIP3 3976 58.992 22.812 33.199 1.00 0.00 SOLV O ATOM 13957 H1 TIP3 3976 58.041 23.000 33.073 1.00 0.00 SOLV H ATOM 13958 H2 TIP3 3976 58.966 22.122 33.882 1.00 0.00 SOLV H ATOM 13959 OH2 TIP3 3977 64.471 33.207 19.166 1.00 0.00 SOLV O ATOM 13960 H1 TIP3 3977 64.690 32.359 18.741 1.00 0.00 SOLV H ATOM 13961 H2 TIP3 3977 64.050 32.902 19.995 1.00 0.00 SOLV H ATOM 13962 OH2 TIP3 3978 63.310 32.677 21.628 1.00 0.00 SOLV O ATOM 13963 H1 TIP3 3978 63.897 32.190 22.223 1.00 0.00 SOLV H ATOM 13964 H2 TIP3 3978 63.441 33.603 21.940 1.00 0.00 SOLV H ATOM 13965 OH2 TIP3 3979 59.819 29.787 22.190 1.00 0.00 SOLV O ATOM 13966 H1 TIP3 3979 59.122 30.294 22.660 1.00 0.00 SOLV H ATOM 13967 H2 TIP3 3979 60.254 30.517 21.704 1.00 0.00 SOLV H ATOM 13968 OH2 TIP3 3980 67.821 22.432 33.232 1.00 0.00 SOLV O ATOM 13969 H1 TIP3 3980 67.790 22.394 34.215 1.00 0.00 SOLV H ATOM 13970 H2 TIP3 3980 67.308 21.647 32.988 1.00 0.00 SOLV H ATOM 13971 OH2 TIP3 3981 67.969 22.632 23.618 1.00 0.00 SOLV O ATOM 13972 H1 TIP3 3981 68.120 22.802 22.676 1.00 0.00 SOLV H ATOM 13973 H2 TIP3 3981 68.604 23.232 24.039 1.00 0.00 SOLV H ATOM 13974 OH2 TIP3 3982 66.376 34.130 22.212 1.00 0.00 SOLV O ATOM 13975 H1 TIP3 3982 65.453 34.404 22.383 1.00 0.00 SOLV H ATOM 13976 H2 TIP3 3982 66.771 35.000 22.040 1.00 0.00 SOLV H ATOM 13977 OH2 TIP3 3983 65.284 24.045 24.396 1.00 0.00 SOLV O ATOM 13978 H1 TIP3 3983 66.111 24.533 24.572 1.00 0.00 SOLV H ATOM 13979 H2 TIP3 3983 65.133 23.639 25.285 1.00 0.00 SOLV H ATOM 13980 OH2 TIP3 3984 66.346 24.776 33.226 1.00 0.00 SOLV O ATOM 13981 H1 TIP3 3984 66.577 25.051 34.134 1.00 0.00 SOLV H ATOM 13982 H2 TIP3 3984 66.929 23.997 33.083 1.00 0.00 SOLV H ATOM 13983 OH2 TIP3 3985 66.366 20.887 24.944 1.00 0.00 SOLV O ATOM 13984 H1 TIP3 3985 66.373 21.249 25.853 1.00 0.00 SOLV H ATOM 13985 H2 TIP3 3985 66.883 21.590 24.483 1.00 0.00 SOLV H ATOM 13986 OH2 TIP3 3986 63.868 35.196 22.478 1.00 0.00 SOLV O ATOM 13987 H1 TIP3 3986 63.882 36.058 22.004 1.00 0.00 SOLV H ATOM 13988 H2 TIP3 3986 63.571 35.481 23.372 1.00 0.00 SOLV H ATOM 13989 OH2 TIP3 3987 62.364 22.206 21.804 1.00 0.00 SOLV O ATOM 13990 H1 TIP3 3987 62.285 22.971 22.410 1.00 0.00 SOLV H ATOM 13991 H2 TIP3 3987 63.250 21.876 22.069 1.00 0.00 SOLV H ATOM 13992 OH2 TIP3 3988 60.684 32.073 20.777 1.00 0.00 SOLV O ATOM 13993 H1 TIP3 3988 61.480 32.487 21.173 1.00 0.00 SOLV H ATOM 13994 H2 TIP3 3988 61.133 31.537 20.086 1.00 0.00 SOLV H ATOM 13995 OH2 TIP3 3989 58.680 25.041 20.231 1.00 0.00 SOLV O ATOM 13996 H1 TIP3 3989 58.905 25.972 20.421 1.00 0.00 SOLV H ATOM 13997 H2 TIP3 3989 58.376 25.088 19.317 1.00 0.00 SOLV H ATOM 13998 OH2 TIP3 3990 59.737 19.996 28.635 1.00 0.00 SOLV O ATOM 13999 H1 TIP3 3990 59.640 19.889 27.665 1.00 0.00 SOLV H ATOM 14000 H2 TIP3 3990 59.375 19.150 28.968 1.00 0.00 SOLV H ATOM 14001 OH2 TIP3 3991 58.490 33.845 24.559 1.00 0.00 SOLV O ATOM 14002 H1 TIP3 3991 57.752 34.279 25.001 1.00 0.00 SOLV H ATOM 14003 H2 TIP3 3991 58.579 34.439 23.773 1.00 0.00 SOLV H ATOM 14004 OH2 TIP3 3992 62.353 35.055 37.882 1.00 0.00 SOLV O ATOM 14005 H1 TIP3 3992 63.193 34.585 38.023 1.00 0.00 SOLV H ATOM 14006 H2 TIP3 3992 62.142 34.752 36.976 1.00 0.00 SOLV H ATOM 14007 OH2 TIP3 3993 66.855 34.578 19.104 1.00 0.00 SOLV O ATOM 14008 H1 TIP3 3993 65.956 34.190 19.181 1.00 0.00 SOLV H ATOM 14009 H2 TIP3 3993 67.362 33.737 19.120 1.00 0.00 SOLV H ATOM 14010 OH2 TIP3 3994 57.841 30.316 37.250 1.00 0.00 SOLV O ATOM 14011 H1 TIP3 3994 57.969 29.352 37.092 1.00 0.00 SOLV H ATOM 14012 H2 TIP3 3994 57.268 30.556 36.491 1.00 0.00 SOLV H ATOM 14013 OH2 TIP3 3995 62.111 30.328 19.327 1.00 0.00 SOLV O ATOM 14014 H1 TIP3 3995 62.457 29.832 20.095 1.00 0.00 SOLV H ATOM 14015 H2 TIP3 3995 62.939 30.422 18.806 1.00 0.00 SOLV H ATOM 14016 OH2 TIP3 3996 64.439 30.433 36.746 1.00 0.00 SOLV O ATOM 14017 H1 TIP3 3996 64.205 30.942 35.937 1.00 0.00 SOLV H ATOM 14018 H2 TIP3 3996 64.601 29.537 36.392 1.00 0.00 SOLV H ATOM 14019 OH2 TIP3 3997 67.538 31.846 19.239 1.00 0.00 SOLV O ATOM 14020 H1 TIP3 3997 67.757 31.742 20.182 1.00 0.00 SOLV H ATOM 14021 H2 TIP3 3997 67.418 30.919 18.968 1.00 0.00 SOLV H ATOM 14022 OH2 TIP3 3998 58.800 27.818 36.814 1.00 0.00 SOLV O ATOM 14023 H1 TIP3 3998 59.332 27.116 36.427 1.00 0.00 SOLV H ATOM 14024 H2 TIP3 3998 58.981 27.729 37.773 1.00 0.00 SOLV H ATOM 14025 OH2 TIP3 3999 63.246 28.763 21.575 1.00 0.00 SOLV O ATOM 14026 H1 TIP3 3999 62.732 28.246 22.218 1.00 0.00 SOLV H ATOM 14027 H2 TIP3 3999 63.651 28.063 21.017 1.00 0.00 SOLV H ATOM 14028 OH2 TIP3 4000 62.767 26.448 34.082 1.00 0.00 SOLV O ATOM 14029 H1 TIP3 4000 62.059 27.129 34.053 1.00 0.00 SOLV H ATOM 14030 H2 TIP3 4000 63.469 26.860 33.523 1.00 0.00 SOLV H ATOM 14031 OH2 TIP3 4001 64.452 27.026 19.811 1.00 0.00 SOLV O ATOM 14032 H1 TIP3 4001 64.466 27.277 18.861 1.00 0.00 SOLV H ATOM 14033 H2 TIP3 4001 65.406 26.829 19.938 1.00 0.00 SOLV H ATOM 14034 OH2 TIP3 4002 67.803 29.016 37.612 1.00 0.00 SOLV O ATOM 14035 H1 TIP3 4002 68.610 28.501 37.495 1.00 0.00 SOLV H ATOM 14036 H2 TIP3 4002 67.203 28.325 37.940 1.00 0.00 SOLV H ATOM 14037 OH2 TIP3 4003 63.259 23.966 34.961 1.00 0.00 SOLV O ATOM 14038 H1 TIP3 4003 63.320 23.358 34.195 1.00 0.00 SOLV H ATOM 14039 H2 TIP3 4003 63.108 24.834 34.517 1.00 0.00 SOLV H ATOM 14040 OH2 TIP3 4004 63.466 22.271 32.719 1.00 0.00 SOLV O ATOM 14041 H1 TIP3 4004 64.004 22.804 32.096 1.00 0.00 SOLV H ATOM 14042 H2 TIP3 4004 62.597 22.267 32.264 1.00 0.00 SOLV H ATOM 14043 OH2 TIP3 4005 64.734 27.650 32.779 1.00 0.00 SOLV O ATOM 14044 H1 TIP3 4005 65.667 27.640 32.534 1.00 0.00 SOLV H ATOM 14045 H2 TIP3 4005 64.413 28.474 32.354 1.00 0.00 SOLV H ATOM 14046 OH2 TIP3 4006 61.611 24.612 37.179 1.00 0.00 SOLV O ATOM 14047 H1 TIP3 4006 60.807 24.075 37.021 1.00 0.00 SOLV H ATOM 14048 H2 TIP3 4006 62.087 24.505 36.330 1.00 0.00 SOLV H ATOM 14049 OH2 TIP3 4007 64.157 19.579 33.054 1.00 0.00 SOLV O ATOM 14050 H1 TIP3 4007 63.819 20.494 32.937 1.00 0.00 SOLV H ATOM 14051 H2 TIP3 4007 63.439 19.052 32.641 1.00 0.00 SOLV H ATOM 14052 OH2 TIP3 4008 65.490 23.683 36.518 1.00 0.00 SOLV O ATOM 14053 H1 TIP3 4008 65.014 23.373 37.316 1.00 0.00 SOLV H ATOM 14054 H2 TIP3 4008 64.717 23.782 35.915 1.00 0.00 SOLV H ATOM 14055 OH2 TIP3 4009 67.879 22.594 35.886 1.00 0.00 SOLV O ATOM 14056 H1 TIP3 4009 66.992 22.986 36.060 1.00 0.00 SOLV H ATOM 14057 H2 TIP3 4009 67.915 21.923 36.577 1.00 0.00 SOLV H ATOM 14058 OH2 TIP3 4010 59.520 22.785 36.790 1.00 0.00 SOLV O ATOM 14059 H1 TIP3 4010 59.490 21.941 36.297 1.00 0.00 SOLV H ATOM 14060 H2 TIP3 4010 59.643 22.449 37.704 1.00 0.00 SOLV H ATOM 14061 OH2 TIP3 4011 64.456 19.030 35.751 1.00 0.00 SOLV O ATOM 14062 H1 TIP3 4011 65.024 18.237 35.688 1.00 0.00 SOLV H ATOM 14063 H2 TIP3 4011 64.247 19.193 34.810 1.00 0.00 SOLV H ATOM 14064 OH2 TIP3 4012 64.938 20.594 37.926 1.00 0.00 SOLV O ATOM 14065 H1 TIP3 4012 64.758 20.075 37.109 1.00 0.00 SOLV H ATOM 14066 H2 TIP3 4012 64.272 21.312 37.860 1.00 0.00 SOLV H ATOM 14067 OH2 TIP3 4013 64.455 37.561 21.123 1.00 0.00 SOLV O ATOM 14068 H1 TIP3 4013 65.377 37.253 21.073 1.00 0.00 SOLV H ATOM 14069 H2 TIP3 4013 64.473 38.288 20.473 1.00 0.00 SOLV H ATOM 14070 OH2 TIP3 4014 57.966 32.192 20.400 1.00 0.00 SOLV O ATOM 14071 H1 TIP3 4014 58.943 32.247 20.507 1.00 0.00 SOLV H ATOM 14072 H2 TIP3 4014 57.891 31.472 19.734 1.00 0.00 SOLV H ATOM 14073 OH2 TIP3 4015 57.090 37.349 25.425 1.00 0.00 SOLV O ATOM 14074 H1 TIP3 4015 56.357 37.165 24.800 1.00 0.00 SOLV H ATOM 14075 H2 TIP3 4015 56.925 36.678 26.110 1.00 0.00 SOLV H ATOM 14076 OH2 TIP3 4016 57.305 35.263 27.363 1.00 0.00 SOLV O ATOM 14077 H1 TIP3 4016 57.440 34.322 27.509 1.00 0.00 SOLV H ATOM 14078 H2 TIP3 4016 57.952 35.657 27.957 1.00 0.00 SOLV H ATOM 14079 OH2 TIP3 4017 57.785 28.185 29.611 1.00 0.00 SOLV O ATOM 14080 H1 TIP3 4017 58.218 28.800 29.008 1.00 0.00 SOLV H ATOM 14081 H2 TIP3 4017 58.461 28.133 30.318 1.00 0.00 SOLV H ATOM 14082 OH2 TIP3 4018 57.189 23.946 35.826 1.00 0.00 SOLV O ATOM 14083 H1 TIP3 4018 58.084 23.695 36.136 1.00 0.00 SOLV H ATOM 14084 H2 TIP3 4018 56.735 23.083 35.913 1.00 0.00 SOLV H ATOM 14085 OH2 TIP3 4019 58.269 22.366 28.806 1.00 0.00 SOLV O ATOM 14086 H1 TIP3 4019 58.720 21.499 28.850 1.00 0.00 SOLV H ATOM 14087 H2 TIP3 4019 59.000 22.966 29.040 1.00 0.00 SOLV H ATOM 14088 OH2 TIP3 4020 56.499 25.579 29.687 1.00 0.00 SOLV O ATOM 14089 H1 TIP3 4020 57.197 25.412 29.027 1.00 0.00 SOLV H ATOM 14090 H2 TIP3 4020 56.793 26.450 30.002 1.00 0.00 SOLV H ATOM 14091 OH2 TIP3 4021 57.078 21.331 23.781 1.00 0.00 SOLV O ATOM 14092 H1 TIP3 4021 56.110 21.367 23.866 1.00 0.00 SOLV H ATOM 14093 H2 TIP3 4021 57.253 22.083 23.176 1.00 0.00 SOLV H ATOM 14094 OH2 TIP3 4022 57.057 20.086 32.127 1.00 0.00 SOLV O ATOM 14095 H1 TIP3 4022 56.348 20.032 32.791 1.00 0.00 SOLV H ATOM 14096 H2 TIP3 4022 56.677 20.758 31.523 1.00 0.00 SOLV H ATOM 14097 OH2 TIP3 4023 59.276 33.590 36.324 1.00 0.00 SOLV O ATOM 14098 H1 TIP3 4023 58.369 33.661 36.015 1.00 0.00 SOLV H ATOM 14099 H2 TIP3 4023 59.168 33.548 37.283 1.00 0.00 SOLV H ATOM 14100 OH2 TIP3 4024 62.274 34.640 32.616 1.00 0.00 SOLV O ATOM 14101 H1 TIP3 4024 62.024 35.538 32.314 1.00 0.00 SOLV H ATOM 14102 H2 TIP3 4024 63.234 34.668 32.401 1.00 0.00 SOLV H ATOM 14103 OH2 TIP3 4025 66.515 35.854 35.584 1.00 0.00 SOLV O ATOM 14104 H1 TIP3 4025 66.548 35.451 36.477 1.00 0.00 SOLV H ATOM 14105 H2 TIP3 4025 67.444 35.800 35.333 1.00 0.00 SOLV H ATOM 14106 OH2 TIP3 4026 61.921 37.277 31.888 1.00 0.00 SOLV O ATOM 14107 H1 TIP3 4026 61.215 37.866 32.178 1.00 0.00 SOLV H ATOM 14108 H2 TIP3 4026 62.135 37.656 31.010 1.00 0.00 SOLV H ATOM 14109 OH2 TIP3 4027 66.436 36.931 30.862 1.00 0.00 SOLV O ATOM 14110 H1 TIP3 4027 66.004 37.497 30.208 1.00 0.00 SOLV H ATOM 14111 H2 TIP3 4027 66.756 37.551 31.532 1.00 0.00 SOLV H ATOM 14112 OH2 TIP3 4028 60.890 35.002 28.397 1.00 0.00 SOLV O ATOM 14113 H1 TIP3 4028 60.773 34.074 28.710 1.00 0.00 SOLV H ATOM 14114 H2 TIP3 4028 61.792 35.181 28.733 1.00 0.00 SOLV H ATOM 14115 OH2 TIP3 4029 63.574 35.263 29.385 1.00 0.00 SOLV O ATOM 14116 H1 TIP3 4029 63.696 34.325 29.127 1.00 0.00 SOLV H ATOM 14117 H2 TIP3 4029 63.996 35.228 30.268 1.00 0.00 SOLV H ATOM 14118 OH2 TIP3 4030 66.654 20.854 27.920 1.00 0.00 SOLV O ATOM 14119 H1 TIP3 4030 65.964 20.302 28.344 1.00 0.00 SOLV H ATOM 14120 H2 TIP3 4030 67.408 20.250 27.950 1.00 0.00 SOLV H ATOM 14121 OH2 TIP3 4031 59.423 19.734 25.890 1.00 0.00 SOLV O ATOM 14122 H1 TIP3 4031 58.485 19.563 25.650 1.00 0.00 SOLV H ATOM 14123 H2 TIP3 4031 59.801 18.840 25.755 1.00 0.00 SOLV H ATOM 14124 OH2 TIP3 4032 58.325 19.543 21.940 1.00 0.00 SOLV O ATOM 14125 H1 TIP3 4032 58.829 20.175 21.400 1.00 0.00 SOLV H ATOM 14126 H2 TIP3 4032 57.950 20.120 22.637 1.00 0.00 SOLV H ATOM 14127 OH2 TIP3 4033 64.037 19.356 26.006 1.00 0.00 SOLV O ATOM 14128 H1 TIP3 4033 64.818 19.745 25.578 1.00 0.00 SOLV H ATOM 14129 H2 TIP3 4033 64.221 19.522 26.944 1.00 0.00 SOLV H ATOM 14130 OH2 TIP3 4034 58.290 35.734 22.699 1.00 0.00 SOLV O ATOM 14131 H1 TIP3 4034 57.506 35.735 22.119 1.00 0.00 SOLV H ATOM 14132 H2 TIP3 4034 58.442 36.696 22.750 1.00 0.00 SOLV H ATOM 14133 OH2 TIP3 4035 60.230 21.267 20.226 1.00 0.00 SOLV O ATOM 14134 H1 TIP3 4035 60.740 20.683 19.628 1.00 0.00 SOLV H ATOM 14135 H2 TIP3 4035 60.931 21.577 20.837 1.00 0.00 SOLV H ATOM 14136 OH2 TIP3 4036 64.946 21.875 22.720 1.00 0.00 SOLV O ATOM 14137 H1 TIP3 4036 65.273 21.173 23.309 1.00 0.00 SOLV H ATOM 14138 H2 TIP3 4036 65.129 22.663 23.276 1.00 0.00 SOLV H ATOM 14139 OH2 TIP3 4037 67.091 36.649 21.010 1.00 0.00 SOLV O ATOM 14140 H1 TIP3 4037 67.822 37.218 20.734 1.00 0.00 SOLV H ATOM 14141 H2 TIP3 4037 67.067 35.985 20.284 1.00 0.00 SOLV H ATOM 14142 OH2 TIP3 4038 59.363 20.291 35.476 1.00 0.00 SOLV O ATOM 14143 H1 TIP3 4038 58.765 19.569 35.755 1.00 0.00 SOLV H ATOM 14144 H2 TIP3 4038 60.171 20.048 35.976 1.00 0.00 SOLV H ATOM 14145 OH2 TIP3 4039 61.426 19.562 37.194 1.00 0.00 SOLV O ATOM 14146 H1 TIP3 4039 62.302 19.192 36.995 1.00 0.00 SOLV H ATOM 14147 H2 TIP3 4039 60.994 18.801 37.638 1.00 0.00 SOLV H ATOM 14148 OH2 TIP3 4040 60.004 36.388 19.528 1.00 0.00 SOLV O ATOM 14149 H1 TIP3 4040 59.854 36.340 20.482 1.00 0.00 SOLV H ATOM 14150 H2 TIP3 4040 60.811 35.827 19.423 1.00 0.00 SOLV H ATOM 14151 OH2 TIP3 4041 12.077 47.836 25.791 1.00 0.00 SOLV O ATOM 14152 H1 TIP3 4041 11.923 48.801 25.712 1.00 0.00 SOLV H ATOM 14153 H2 TIP3 4041 11.369 47.508 25.207 1.00 0.00 SOLV H ATOM 14154 OH2 TIP3 4042 10.960 47.088 29.560 1.00 0.00 SOLV O ATOM 14155 H1 TIP3 4042 11.072 46.677 30.444 1.00 0.00 SOLV H ATOM 14156 H2 TIP3 4042 10.485 46.382 29.095 1.00 0.00 SOLV H ATOM 14157 OH2 TIP3 4043 2.997 46.539 30.897 1.00 0.00 SOLV O ATOM 14158 H1 TIP3 4043 3.068 45.739 31.454 1.00 0.00 SOLV H ATOM 14159 H2 TIP3 4043 3.917 46.850 30.913 1.00 0.00 SOLV H ATOM 14160 OH2 TIP3 4044 14.658 50.097 27.872 1.00 0.00 SOLV O ATOM 14161 H1 TIP3 4044 14.164 49.401 28.330 1.00 0.00 SOLV H ATOM 14162 H2 TIP3 4044 14.881 50.705 28.599 1.00 0.00 SOLV H ATOM 14163 OH2 TIP3 4045 4.289 51.284 29.382 1.00 0.00 SOLV O ATOM 14164 H1 TIP3 4045 4.163 50.343 29.119 1.00 0.00 SOLV H ATOM 14165 H2 TIP3 4045 5.256 51.269 29.515 1.00 0.00 SOLV H ATOM 14166 OH2 TIP3 4046 1.193 44.889 24.935 1.00 0.00 SOLV O ATOM 14167 H1 TIP3 4046 1.143 45.832 25.128 1.00 0.00 SOLV H ATOM 14168 H2 TIP3 4046 0.249 44.691 24.770 1.00 0.00 SOLV H ATOM 14169 OH2 TIP3 4047 2.053 47.048 27.714 1.00 0.00 SOLV O ATOM 14170 H1 TIP3 4047 2.269 46.089 27.667 1.00 0.00 SOLV H ATOM 14171 H2 TIP3 4047 2.367 47.381 26.868 1.00 0.00 SOLV H ATOM 14172 OH2 TIP3 4048 11.908 55.168 28.262 1.00 0.00 SOLV O ATOM 14173 H1 TIP3 4048 12.293 54.524 27.633 1.00 0.00 SOLV H ATOM 14174 H2 TIP3 4048 11.482 54.585 28.902 1.00 0.00 SOLV H ATOM 14175 OH2 TIP3 4049 9.203 49.569 29.977 1.00 0.00 SOLV O ATOM 14176 H1 TIP3 4049 9.629 48.820 29.525 1.00 0.00 SOLV H ATOM 14177 H2 TIP3 4049 9.956 49.831 30.551 1.00 0.00 SOLV H ATOM 14178 OH2 TIP3 4050 12.402 43.798 30.016 1.00 0.00 SOLV O ATOM 14179 H1 TIP3 4050 12.607 42.847 30.121 1.00 0.00 SOLV H ATOM 14180 H2 TIP3 4050 12.323 43.867 29.046 1.00 0.00 SOLV H ATOM 14181 OH2 TIP3 4051 5.865 41.899 27.322 1.00 0.00 SOLV O ATOM 14182 H1 TIP3 4051 5.945 42.767 26.873 1.00 0.00 SOLV H ATOM 14183 H2 TIP3 4051 5.381 41.392 26.636 1.00 0.00 SOLV H ATOM 14184 OH2 TIP3 4052 13.566 42.267 25.688 1.00 0.00 SOLV O ATOM 14185 H1 TIP3 4052 13.960 41.715 26.377 1.00 0.00 SOLV H ATOM 14186 H2 TIP3 4052 14.355 42.624 25.229 1.00 0.00 SOLV H ATOM 14187 OH2 TIP3 4053 2.419 44.355 27.922 1.00 0.00 SOLV O ATOM 14188 H1 TIP3 4053 2.909 43.829 28.580 1.00 0.00 SOLV H ATOM 14189 H2 TIP3 4053 2.717 43.921 27.094 1.00 0.00 SOLV H ATOM 14190 OH2 TIP3 4054 7.204 45.846 27.628 1.00 0.00 SOLV O ATOM 14191 H1 TIP3 4054 8.050 45.429 27.902 1.00 0.00 SOLV H ATOM 14192 H2 TIP3 4054 6.851 45.176 27.003 1.00 0.00 SOLV H ATOM 14193 OH2 TIP3 4055 4.530 40.895 31.472 1.00 0.00 SOLV O ATOM 14194 H1 TIP3 4055 4.198 41.475 30.759 1.00 0.00 SOLV H ATOM 14195 H2 TIP3 4055 3.844 41.037 32.156 1.00 0.00 SOLV H ATOM 14196 OH2 TIP3 4056 11.565 50.378 24.817 1.00 0.00 SOLV O ATOM 14197 H1 TIP3 4056 11.464 50.574 23.872 1.00 0.00 SOLV H ATOM 14198 H2 TIP3 4056 11.155 51.179 25.212 1.00 0.00 SOLV H ATOM 14199 OH2 TIP3 4057 7.146 48.649 31.506 1.00 0.00 SOLV O ATOM 14200 H1 TIP3 4057 6.605 49.396 31.839 1.00 0.00 SOLV H ATOM 14201 H2 TIP3 4057 7.841 49.115 30.992 1.00 0.00 SOLV H ATOM 14202 OH2 TIP3 4058 4.087 42.609 29.339 1.00 0.00 SOLV O ATOM 14203 H1 TIP3 4058 4.690 43.155 29.894 1.00 0.00 SOLV H ATOM 14204 H2 TIP3 4058 4.728 42.288 28.664 1.00 0.00 SOLV H ATOM 14205 OH2 TIP3 4059 5.531 50.728 32.582 1.00 0.00 SOLV O ATOM 14206 H1 TIP3 4059 5.556 51.688 32.388 1.00 0.00 SOLV H ATOM 14207 H2 TIP3 4059 4.622 50.652 32.923 1.00 0.00 SOLV H ATOM 14208 OH2 TIP3 4060 1.528 50.221 23.057 1.00 0.00 SOLV O ATOM 14209 H1 TIP3 4060 0.891 50.699 22.507 1.00 0.00 SOLV H ATOM 14210 H2 TIP3 4060 1.699 50.867 23.768 1.00 0.00 SOLV H ATOM 14211 OH2 TIP3 4061 15.143 52.070 29.994 1.00 0.00 SOLV O ATOM 14212 H1 TIP3 4061 14.171 52.069 30.164 1.00 0.00 SOLV H ATOM 14213 H2 TIP3 4061 15.289 53.013 29.776 1.00 0.00 SOLV H ATOM 14214 OH2 TIP3 4062 8.125 38.036 28.884 1.00 0.00 SOLV O ATOM 14215 H1 TIP3 4062 7.782 37.120 28.867 1.00 0.00 SOLV H ATOM 14216 H2 TIP3 4062 7.342 38.505 29.251 1.00 0.00 SOLV H ATOM 14217 OH2 TIP3 4063 13.171 53.683 26.250 1.00 0.00 SOLV O ATOM 14218 H1 TIP3 4063 13.599 52.818 26.044 1.00 0.00 SOLV H ATOM 14219 H2 TIP3 4063 13.965 54.264 26.215 1.00 0.00 SOLV H ATOM 14220 OH2 TIP3 4064 14.482 51.437 25.452 1.00 0.00 SOLV O ATOM 14221 H1 TIP3 4064 14.109 50.793 24.837 1.00 0.00 SOLV H ATOM 14222 H2 TIP3 4064 14.619 50.890 26.257 1.00 0.00 SOLV H ATOM 14223 OH2 TIP3 4065 16.177 50.002 33.606 1.00 0.00 SOLV O ATOM 14224 H1 TIP3 4065 16.119 49.417 32.820 1.00 0.00 SOLV H ATOM 14225 H2 TIP3 4065 16.253 50.888 33.193 1.00 0.00 SOLV H ATOM 14226 OH2 TIP3 4066 10.639 47.002 23.582 1.00 0.00 SOLV O ATOM 14227 H1 TIP3 4066 10.004 47.713 23.350 1.00 0.00 SOLV H ATOM 14228 H2 TIP3 4066 11.297 47.086 22.870 1.00 0.00 SOLV H ATOM 14229 OH2 TIP3 4067 10.768 45.675 20.185 1.00 0.00 SOLV O ATOM 14230 H1 TIP3 4067 11.335 45.955 20.926 1.00 0.00 SOLV H ATOM 14231 H2 TIP3 4067 11.369 45.050 19.729 1.00 0.00 SOLV H ATOM 14232 OH2 TIP3 4068 18.029 46.518 32.068 1.00 0.00 SOLV O ATOM 14233 H1 TIP3 4068 17.194 47.026 32.029 1.00 0.00 SOLV H ATOM 14234 H2 TIP3 4068 18.257 46.457 31.136 1.00 0.00 SOLV H ATOM 14235 OH2 TIP3 4069 14.226 47.191 24.250 1.00 0.00 SOLV O ATOM 14236 H1 TIP3 4069 13.510 47.405 24.895 1.00 0.00 SOLV H ATOM 14237 H2 TIP3 4069 14.823 46.666 24.820 1.00 0.00 SOLV H ATOM 14238 OH2 TIP3 4070 13.833 45.133 33.658 1.00 0.00 SOLV O ATOM 14239 H1 TIP3 4070 13.904 45.820 34.335 1.00 0.00 SOLV H ATOM 14240 H2 TIP3 4070 13.235 45.537 33.013 1.00 0.00 SOLV H ATOM 14241 OH2 TIP3 4071 5.687 47.810 26.385 1.00 0.00 SOLV O ATOM 14242 H1 TIP3 4071 5.451 47.446 25.505 1.00 0.00 SOLV H ATOM 14243 H2 TIP3 4071 6.264 47.107 26.752 1.00 0.00 SOLV H ATOM 14244 OH2 TIP3 4072 7.118 51.341 29.030 1.00 0.00 SOLV O ATOM 14245 H1 TIP3 4072 7.143 51.257 28.063 1.00 0.00 SOLV H ATOM 14246 H2 TIP3 4072 7.838 50.738 29.309 1.00 0.00 SOLV H ATOM 14247 OH2 TIP3 4073 6.035 46.522 30.111 1.00 0.00 SOLV O ATOM 14248 H1 TIP3 4073 6.482 46.449 29.242 1.00 0.00 SOLV H ATOM 14249 H2 TIP3 4073 6.461 47.317 30.497 1.00 0.00 SOLV H ATOM 14250 OH2 TIP3 4074 12.532 52.176 30.653 1.00 0.00 SOLV O ATOM 14251 H1 TIP3 4074 12.348 52.891 31.291 1.00 0.00 SOLV H ATOM 14252 H2 TIP3 4074 12.062 51.410 31.038 1.00 0.00 SOLV H ATOM 14253 OH2 TIP3 4075 7.215 51.098 34.714 1.00 0.00 SOLV O ATOM 14254 H1 TIP3 4075 6.560 51.698 35.127 1.00 0.00 SOLV H ATOM 14255 H2 TIP3 4075 6.710 50.801 33.929 1.00 0.00 SOLV H ATOM 14256 OH2 TIP3 4076 12.870 46.514 21.929 1.00 0.00 SOLV O ATOM 14257 H1 TIP3 4076 13.411 46.886 22.660 1.00 0.00 SOLV H ATOM 14258 H2 TIP3 4076 13.403 46.799 21.145 1.00 0.00 SOLV H ATOM 14259 OH2 TIP3 4077 3.918 46.930 34.152 1.00 0.00 SOLV O ATOM 14260 H1 TIP3 4077 4.027 47.766 34.646 1.00 0.00 SOLV H ATOM 14261 H2 TIP3 4077 2.970 46.969 33.911 1.00 0.00 SOLV H ATOM 14262 OH2 TIP3 4078 10.701 52.887 25.502 1.00 0.00 SOLV O ATOM 14263 H1 TIP3 4078 11.580 53.205 25.798 1.00 0.00 SOLV H ATOM 14264 H2 TIP3 4078 10.336 53.675 25.081 1.00 0.00 SOLV H ATOM 14265 OH2 TIP3 4079 5.169 52.905 35.369 1.00 0.00 SOLV O ATOM 14266 H1 TIP3 4079 5.227 53.208 34.439 1.00 0.00 SOLV H ATOM 14267 H2 TIP3 4079 4.203 52.852 35.495 1.00 0.00 SOLV H ATOM 14268 OH2 TIP3 4080 16.622 38.064 21.811 1.00 0.00 SOLV O ATOM 14269 H1 TIP3 4080 15.748 38.402 22.089 1.00 0.00 SOLV H ATOM 14270 H2 TIP3 4080 17.050 38.895 21.505 1.00 0.00 SOLV H ATOM 14271 OH2 TIP3 4081 4.837 46.955 23.817 1.00 0.00 SOLV O ATOM 14272 H1 TIP3 4081 4.370 47.622 23.267 1.00 0.00 SOLV H ATOM 14273 H2 TIP3 4081 4.320 46.162 23.645 1.00 0.00 SOLV H ATOM 14274 OH2 TIP3 4082 17.865 52.440 20.359 1.00 0.00 SOLV O ATOM 14275 H1 TIP3 4082 18.111 53.387 20.431 1.00 0.00 SOLV H ATOM 14276 H2 TIP3 4082 18.751 52.016 20.373 1.00 0.00 SOLV H ATOM 14277 OH2 TIP3 4083 1.438 49.284 32.970 1.00 0.00 SOLV O ATOM 14278 H1 TIP3 4083 0.843 49.382 32.209 1.00 0.00 SOLV H ATOM 14279 H2 TIP3 4083 1.279 48.352 33.223 1.00 0.00 SOLV H ATOM 14280 OH2 TIP3 4084 1.299 52.160 28.876 1.00 0.00 SOLV O ATOM 14281 H1 TIP3 4084 1.993 51.488 28.903 1.00 0.00 SOLV H ATOM 14282 H2 TIP3 4084 1.015 52.195 29.797 1.00 0.00 SOLV H ATOM 14283 OH2 TIP3 4085 18.779 52.883 35.531 1.00 0.00 SOLV O ATOM 14284 H1 TIP3 4085 18.602 51.924 35.471 1.00 0.00 SOLV H ATOM 14285 H2 TIP3 4085 17.896 53.205 35.821 1.00 0.00 SOLV H ATOM 14286 OH2 TIP3 4086 9.621 52.230 34.109 1.00 0.00 SOLV O ATOM 14287 H1 TIP3 4086 9.599 53.076 34.609 1.00 0.00 SOLV H ATOM 14288 H2 TIP3 4086 8.747 51.851 34.357 1.00 0.00 SOLV H ATOM 14289 OH2 TIP3 4087 10.454 55.868 23.995 1.00 0.00 SOLV O ATOM 14290 H1 TIP3 4087 10.173 55.963 23.069 1.00 0.00 SOLV H ATOM 14291 H2 TIP3 4087 10.140 56.703 24.391 1.00 0.00 SOLV H ATOM 14292 OH2 TIP3 4088 3.873 54.797 25.915 1.00 0.00 SOLV O ATOM 14293 H1 TIP3 4088 4.048 54.451 26.819 1.00 0.00 SOLV H ATOM 14294 H2 TIP3 4088 3.234 54.138 25.588 1.00 0.00 SOLV H ATOM 14295 OH2 TIP3 4089 13.163 55.331 20.766 1.00 0.00 SOLV O ATOM 14296 H1 TIP3 4089 13.703 54.594 20.404 1.00 0.00 SOLV H ATOM 14297 H2 TIP3 4089 13.286 55.203 21.731 1.00 0.00 SOLV H ATOM 14298 OH2 TIP3 4090 13.043 55.187 23.541 1.00 0.00 SOLV O ATOM 14299 H1 TIP3 4090 12.098 55.351 23.756 1.00 0.00 SOLV H ATOM 14300 H2 TIP3 4090 13.305 54.622 24.286 1.00 0.00 SOLV H ATOM 14301 OH2 TIP3 4091 3.093 51.069 34.071 1.00 0.00 SOLV O ATOM 14302 H1 TIP3 4091 3.503 50.429 34.688 1.00 0.00 SOLV H ATOM 14303 H2 TIP3 4091 2.417 50.492 33.640 1.00 0.00 SOLV H ATOM 14304 OH2 TIP3 4092 5.679 39.023 29.793 1.00 0.00 SOLV O ATOM 14305 H1 TIP3 4092 4.884 38.993 29.221 1.00 0.00 SOLV H ATOM 14306 H2 TIP3 4092 5.389 39.712 30.428 1.00 0.00 SOLV H ATOM 14307 OH2 TIP3 4093 10.448 38.574 32.988 1.00 0.00 SOLV O ATOM 14308 H1 TIP3 4093 10.880 38.126 33.743 1.00 0.00 SOLV H ATOM 14309 H2 TIP3 4093 9.496 38.519 33.217 1.00 0.00 SOLV H ATOM 14310 OH2 TIP3 4094 14.378 47.104 19.770 1.00 0.00 SOLV O ATOM 14311 H1 TIP3 4094 14.239 47.237 18.813 1.00 0.00 SOLV H ATOM 14312 H2 TIP3 4094 15.313 47.381 19.859 1.00 0.00 SOLV H ATOM 14313 OH2 TIP3 4095 9.960 41.136 20.528 1.00 0.00 SOLV O ATOM 14314 H1 TIP3 4095 9.341 41.022 21.277 1.00 0.00 SOLV H ATOM 14315 H2 TIP3 4095 9.540 40.534 19.882 1.00 0.00 SOLV H ATOM 14316 OH2 TIP3 4096 5.766 44.014 31.031 1.00 0.00 SOLV O ATOM 14317 H1 TIP3 4096 5.080 44.161 31.717 1.00 0.00 SOLV H ATOM 14318 H2 TIP3 4096 5.899 44.937 30.711 1.00 0.00 SOLV H ATOM 14319 OH2 TIP3 4097 5.942 44.185 25.852 1.00 0.00 SOLV O ATOM 14320 H1 TIP3 4097 4.971 44.048 25.776 1.00 0.00 SOLV H ATOM 14321 H2 TIP3 4097 6.202 43.954 24.934 1.00 0.00 SOLV H ATOM 14322 OH2 TIP3 4098 11.274 44.542 24.681 1.00 0.00 SOLV O ATOM 14323 H1 TIP3 4098 11.046 45.420 24.303 1.00 0.00 SOLV H ATOM 14324 H2 TIP3 4098 11.968 44.237 24.061 1.00 0.00 SOLV H ATOM 14325 OH2 TIP3 4099 10.393 44.771 35.909 1.00 0.00 SOLV O ATOM 14326 H1 TIP3 4099 9.930 43.988 36.282 1.00 0.00 SOLV H ATOM 14327 H2 TIP3 4099 11.260 44.688 36.350 1.00 0.00 SOLV H ATOM 14328 OH2 TIP3 4100 12.182 44.100 27.307 1.00 0.00 SOLV O ATOM 14329 H1 TIP3 4100 11.763 44.646 26.612 1.00 0.00 SOLV H ATOM 14330 H2 TIP3 4100 12.551 43.401 26.727 1.00 0.00 SOLV H ATOM 14331 OH2 TIP3 4101 3.547 44.300 32.616 1.00 0.00 SOLV O ATOM 14332 H1 TIP3 4101 3.712 44.791 33.436 1.00 0.00 SOLV H ATOM 14333 H2 TIP3 4101 3.201 43.448 32.943 1.00 0.00 SOLV H ATOM 14334 OH2 TIP3 4102 6.822 41.705 19.354 1.00 0.00 SOLV O ATOM 14335 H1 TIP3 4102 6.406 41.560 20.225 1.00 0.00 SOLV H ATOM 14336 H2 TIP3 4102 6.228 42.392 18.987 1.00 0.00 SOLV H ATOM 14337 OH2 TIP3 4103 0.608 41.635 26.273 1.00 0.00 SOLV O ATOM 14338 H1 TIP3 4103 0.930 41.511 27.192 1.00 0.00 SOLV H ATOM 14339 H2 TIP3 4103 0.887 40.806 25.865 1.00 0.00 SOLV H ATOM 14340 OH2 TIP3 4104 1.552 42.113 22.400 1.00 0.00 SOLV O ATOM 14341 H1 TIP3 4104 2.012 41.753 21.624 1.00 0.00 SOLV H ATOM 14342 H2 TIP3 4104 1.587 43.057 22.162 1.00 0.00 SOLV H ATOM 14343 OH2 TIP3 4105 11.298 45.562 31.762 1.00 0.00 SOLV O ATOM 14344 H1 TIP3 4105 11.772 44.930 31.173 1.00 0.00 SOLV H ATOM 14345 H2 TIP3 4105 10.792 44.930 32.315 1.00 0.00 SOLV H ATOM 14346 OH2 TIP3 4106 8.632 41.553 26.757 1.00 0.00 SOLV O ATOM 14347 H1 TIP3 4106 7.710 41.646 27.075 1.00 0.00 SOLV H ATOM 14348 H2 TIP3 4106 9.103 41.332 27.580 1.00 0.00 SOLV H ATOM 14349 OH2 TIP3 4107 3.404 43.302 25.589 1.00 0.00 SOLV O ATOM 14350 H1 TIP3 4107 2.572 43.601 25.157 1.00 0.00 SOLV H ATOM 14351 H2 TIP3 4107 3.513 42.388 25.260 1.00 0.00 SOLV H ATOM 14352 OH2 TIP3 4108 6.471 43.353 23.317 1.00 0.00 SOLV O ATOM 14353 H1 TIP3 4108 7.445 43.376 23.351 1.00 0.00 SOLV H ATOM 14354 H2 TIP3 4108 6.268 43.818 22.471 1.00 0.00 SOLV H ATOM 14355 OH2 TIP3 4109 12.501 41.035 30.135 1.00 0.00 SOLV O ATOM 14356 H1 TIP3 4109 12.133 41.062 31.046 1.00 0.00 SOLV H ATOM 14357 H2 TIP3 4109 11.730 40.744 29.609 1.00 0.00 SOLV H ATOM 14358 OH2 TIP3 4110 5.846 44.422 20.914 1.00 0.00 SOLV O ATOM 14359 H1 TIP3 4110 5.338 44.180 20.117 1.00 0.00 SOLV H ATOM 14360 H2 TIP3 4110 6.617 44.870 20.503 1.00 0.00 SOLV H ATOM 14361 OH2 TIP3 4111 16.141 56.574 36.561 1.00 0.00 SOLV O ATOM 14362 H1 TIP3 4111 16.391 57.051 35.751 1.00 0.00 SOLV H ATOM 14363 H2 TIP3 4111 16.891 56.799 37.150 1.00 0.00 SOLV H ATOM 14364 OH2 TIP3 4112 3.979 49.213 35.910 1.00 0.00 SOLV O ATOM 14365 H1 TIP3 4112 4.607 49.180 36.660 1.00 0.00 SOLV H ATOM 14366 H2 TIP3 4112 3.126 49.244 36.385 1.00 0.00 SOLV H ATOM 14367 OH2 TIP3 4113 9.448 44.566 28.689 1.00 0.00 SOLV O ATOM 14368 H1 TIP3 4113 10.274 44.158 28.390 1.00 0.00 SOLV H ATOM 14369 H2 TIP3 4113 9.175 43.979 29.421 1.00 0.00 SOLV H ATOM 14370 OH2 TIP3 4114 4.479 40.685 25.232 1.00 0.00 SOLV O ATOM 14371 H1 TIP3 4114 3.930 39.930 25.538 1.00 0.00 SOLV H ATOM 14372 H2 TIP3 4114 4.971 40.276 24.508 1.00 0.00 SOLV H ATOM 14373 OH2 TIP3 4115 8.388 43.136 31.102 1.00 0.00 SOLV O ATOM 14374 H1 TIP3 4115 7.501 43.549 31.139 1.00 0.00 SOLV H ATOM 14375 H2 TIP3 4115 8.837 43.506 31.889 1.00 0.00 SOLV H ATOM 14376 OH2 TIP3 4116 8.796 48.985 22.861 1.00 0.00 SOLV O ATOM 14377 H1 TIP3 4116 8.042 48.569 22.392 1.00 0.00 SOLV H ATOM 14378 H2 TIP3 4116 8.375 49.203 23.730 1.00 0.00 SOLV H ATOM 14379 OH2 TIP3 4117 16.016 48.347 31.376 1.00 0.00 SOLV O ATOM 14380 H1 TIP3 4117 16.578 48.854 30.760 1.00 0.00 SOLV H ATOM 14381 H2 TIP3 4117 15.220 48.163 30.831 1.00 0.00 SOLV H ATOM 14382 OH2 TIP3 4118 12.525 41.642 21.207 1.00 0.00 SOLV O ATOM 14383 H1 TIP3 4118 11.571 41.627 20.949 1.00 0.00 SOLV H ATOM 14384 H2 TIP3 4118 12.635 42.535 21.593 1.00 0.00 SOLV H ATOM 14385 OH2 TIP3 4119 10.227 49.408 33.979 1.00 0.00 SOLV O ATOM 14386 H1 TIP3 4119 10.501 49.093 34.850 1.00 0.00 SOLV H ATOM 14387 H2 TIP3 4119 10.052 50.351 34.136 1.00 0.00 SOLV H ATOM 14388 OH2 TIP3 4120 13.231 43.859 22.807 1.00 0.00 SOLV O ATOM 14389 H1 TIP3 4120 14.124 43.717 23.176 1.00 0.00 SOLV H ATOM 14390 H2 TIP3 4120 13.283 44.775 22.469 1.00 0.00 SOLV H ATOM 14391 OH2 TIP3 4121 4.320 48.710 28.626 1.00 0.00 SOLV O ATOM 14392 H1 TIP3 4121 4.832 48.450 27.832 1.00 0.00 SOLV H ATOM 14393 H2 TIP3 4121 3.832 47.899 28.820 1.00 0.00 SOLV H ATOM 14394 OH2 TIP3 4122 10.868 50.517 21.953 1.00 0.00 SOLV O ATOM 14395 H1 TIP3 4122 10.497 51.428 22.036 1.00 0.00 SOLV H ATOM 14396 H2 TIP3 4122 10.110 49.974 22.263 1.00 0.00 SOLV H ATOM 14397 OH2 TIP3 4123 1.141 46.672 33.819 1.00 0.00 SOLV O ATOM 14398 H1 TIP3 4123 0.861 46.323 34.676 1.00 0.00 SOLV H ATOM 14399 H2 TIP3 4123 0.471 46.253 33.224 1.00 0.00 SOLV H ATOM 14400 OH2 TIP3 4124 8.230 46.533 36.091 1.00 0.00 SOLV O ATOM 14401 H1 TIP3 4124 7.678 46.193 35.369 1.00 0.00 SOLV H ATOM 14402 H2 TIP3 4124 9.073 46.062 35.918 1.00 0.00 SOLV H ATOM 14403 OH2 TIP3 4125 12.413 51.791 34.035 1.00 0.00 SOLV O ATOM 14404 H1 TIP3 4125 11.465 51.982 33.922 1.00 0.00 SOLV H ATOM 14405 H2 TIP3 4125 12.552 52.111 34.952 1.00 0.00 SOLV H ATOM 14406 OH2 TIP3 4126 18.025 44.241 22.510 1.00 0.00 SOLV O ATOM 14407 H1 TIP3 4126 17.583 44.090 21.642 1.00 0.00 SOLV H ATOM 14408 H2 TIP3 4126 18.259 45.185 22.369 1.00 0.00 SOLV H ATOM 14409 OH2 TIP3 4127 18.420 50.040 35.183 1.00 0.00 SOLV O ATOM 14410 H1 TIP3 4127 17.490 50.112 34.878 1.00 0.00 SOLV H ATOM 14411 H2 TIP3 4127 18.865 49.872 34.323 1.00 0.00 SOLV H ATOM 14412 OH2 TIP3 4128 16.632 52.831 22.882 1.00 0.00 SOLV O ATOM 14413 H1 TIP3 4128 16.065 52.112 23.193 1.00 0.00 SOLV H ATOM 14414 H2 TIP3 4128 16.917 52.523 22.003 1.00 0.00 SOLV H ATOM 14415 OH2 TIP3 4129 13.820 47.720 29.667 1.00 0.00 SOLV O ATOM 14416 H1 TIP3 4129 12.853 47.640 29.551 1.00 0.00 SOLV H ATOM 14417 H2 TIP3 4129 14.122 46.890 29.249 1.00 0.00 SOLV H ATOM 14418 OH2 TIP3 4130 6.481 52.030 26.036 1.00 0.00 SOLV O ATOM 14419 H1 TIP3 4130 6.681 52.916 25.676 1.00 0.00 SOLV H ATOM 14420 H2 TIP3 4130 5.528 51.981 25.900 1.00 0.00 SOLV H ATOM 14421 OH2 TIP3 4131 2.173 46.765 20.553 1.00 0.00 SOLV O ATOM 14422 H1 TIP3 4131 2.853 47.272 21.053 1.00 0.00 SOLV H ATOM 14423 H2 TIP3 4131 1.395 47.297 20.769 1.00 0.00 SOLV H ATOM 14424 OH2 TIP3 4132 7.456 49.596 25.119 1.00 0.00 SOLV O ATOM 14425 H1 TIP3 4132 7.252 50.484 25.474 1.00 0.00 SOLV H ATOM 14426 H2 TIP3 4132 6.873 49.032 25.661 1.00 0.00 SOLV H ATOM 14427 OH2 TIP3 4133 8.300 53.838 31.853 1.00 0.00 SOLV O ATOM 14428 H1 TIP3 4133 8.925 54.568 31.648 1.00 0.00 SOLV H ATOM 14429 H2 TIP3 4133 8.872 53.246 32.368 1.00 0.00 SOLV H ATOM 14430 OH2 TIP3 4134 6.443 54.756 24.953 1.00 0.00 SOLV O ATOM 14431 H1 TIP3 4134 5.508 54.892 25.216 1.00 0.00 SOLV H ATOM 14432 H2 TIP3 4134 6.849 55.584 25.296 1.00 0.00 SOLV H ATOM 14433 OH2 TIP3 4135 11.443 49.727 31.554 1.00 0.00 SOLV O ATOM 14434 H1 TIP3 4135 11.046 49.537 32.433 1.00 0.00 SOLV H ATOM 14435 H2 TIP3 4135 12.170 49.091 31.536 1.00 0.00 SOLV H ATOM 14436 OH2 TIP3 4136 14.255 50.919 20.749 1.00 0.00 SOLV O ATOM 14437 H1 TIP3 4136 14.508 50.409 21.554 1.00 0.00 SOLV H ATOM 14438 H2 TIP3 4136 13.307 50.720 20.697 1.00 0.00 SOLV H ATOM 14439 OH2 TIP3 4137 14.483 54.180 33.783 1.00 0.00 SOLV O ATOM 14440 H1 TIP3 4137 13.632 53.849 33.435 1.00 0.00 SOLV H ATOM 14441 H2 TIP3 4137 14.605 54.983 33.230 1.00 0.00 SOLV H ATOM 14442 OH2 TIP3 4138 18.536 55.095 20.856 1.00 0.00 SOLV O ATOM 14443 H1 TIP3 4138 19.112 55.845 20.637 1.00 0.00 SOLV H ATOM 14444 H2 TIP3 4138 17.732 55.584 21.129 1.00 0.00 SOLV H ATOM 14445 OH2 TIP3 4139 2.572 41.557 33.345 1.00 0.00 SOLV O ATOM 14446 H1 TIP3 4139 1.623 41.576 33.148 1.00 0.00 SOLV H ATOM 14447 H2 TIP3 4139 2.622 40.829 33.991 1.00 0.00 SOLV H ATOM 14448 OH2 TIP3 4140 15.098 49.480 22.926 1.00 0.00 SOLV O ATOM 14449 H1 TIP3 4140 14.734 48.720 23.422 1.00 0.00 SOLV H ATOM 14450 H2 TIP3 4140 16.057 49.294 23.007 1.00 0.00 SOLV H ATOM 14451 OH2 TIP3 4141 2.093 53.298 31.642 1.00 0.00 SOLV O ATOM 14452 H1 TIP3 4141 2.676 52.542 31.803 1.00 0.00 SOLV H ATOM 14453 H2 TIP3 4141 2.412 53.933 32.299 1.00 0.00 SOLV H ATOM 14454 OH2 TIP3 4142 8.098 51.887 19.146 1.00 0.00 SOLV O ATOM 14455 H1 TIP3 4142 8.128 51.005 18.730 1.00 0.00 SOLV H ATOM 14456 H2 TIP3 4142 7.631 51.689 19.982 1.00 0.00 SOLV H ATOM 14457 OH2 TIP3 4143 6.858 51.543 21.593 1.00 0.00 SOLV O ATOM 14458 H1 TIP3 4143 7.386 51.053 22.238 1.00 0.00 SOLV H ATOM 14459 H2 TIP3 4143 6.966 52.469 21.910 1.00 0.00 SOLV H ATOM 14460 OH2 TIP3 4144 3.452 48.606 22.105 1.00 0.00 SOLV O ATOM 14461 H1 TIP3 4144 2.732 49.118 22.549 1.00 0.00 SOLV H ATOM 14462 H2 TIP3 4144 3.867 49.353 21.625 1.00 0.00 SOLV H ATOM 14463 OH2 TIP3 4145 11.621 41.066 32.733 1.00 0.00 SOLV O ATOM 14464 H1 TIP3 4145 11.629 41.302 33.690 1.00 0.00 SOLV H ATOM 14465 H2 TIP3 4145 11.161 40.204 32.775 1.00 0.00 SOLV H ATOM 14466 OH2 TIP3 4146 12.251 40.554 23.798 1.00 0.00 SOLV O ATOM 14467 H1 TIP3 4146 12.324 40.947 22.902 1.00 0.00 SOLV H ATOM 14468 H2 TIP3 4146 12.609 41.273 24.360 1.00 0.00 SOLV H ATOM 14469 OH2 TIP3 4147 9.816 52.991 22.195 1.00 0.00 SOLV O ATOM 14470 H1 TIP3 4147 8.905 53.292 22.378 1.00 0.00 SOLV H ATOM 14471 H2 TIP3 4147 10.211 53.830 21.906 1.00 0.00 SOLV H ATOM 14472 OH2 TIP3 4148 9.111 42.864 24.361 1.00 0.00 SOLV O ATOM 14473 H1 TIP3 4148 9.855 43.487 24.515 1.00 0.00 SOLV H ATOM 14474 H2 TIP3 4148 8.928 42.563 25.276 1.00 0.00 SOLV H ATOM 14475 OH2 TIP3 4149 9.990 43.786 33.348 1.00 0.00 SOLV O ATOM 14476 H1 TIP3 4149 10.119 44.201 34.228 1.00 0.00 SOLV H ATOM 14477 H2 TIP3 4149 10.468 42.950 33.464 1.00 0.00 SOLV H ATOM 14478 OH2 TIP3 4150 9.817 39.644 24.926 1.00 0.00 SOLV O ATOM 14479 H1 TIP3 4150 9.600 40.356 25.563 1.00 0.00 SOLV H ATOM 14480 H2 TIP3 4150 10.682 39.959 24.580 1.00 0.00 SOLV H ATOM 14481 OH2 TIP3 4151 7.324 54.070 22.468 1.00 0.00 SOLV O ATOM 14482 H1 TIP3 4151 7.302 54.933 21.997 1.00 0.00 SOLV H ATOM 14483 H2 TIP3 4151 6.990 54.333 23.356 1.00 0.00 SOLV H ATOM 14484 OH2 TIP3 4152 5.826 41.072 21.871 1.00 0.00 SOLV O ATOM 14485 H1 TIP3 4152 5.814 41.870 22.439 1.00 0.00 SOLV H ATOM 14486 H2 TIP3 4152 6.714 40.729 22.110 1.00 0.00 SOLV H ATOM 14487 OH2 TIP3 4153 14.631 45.255 28.377 1.00 0.00 SOLV O ATOM 14488 H1 TIP3 4153 13.754 44.902 28.140 1.00 0.00 SOLV H ATOM 14489 H2 TIP3 4153 15.080 44.465 28.724 1.00 0.00 SOLV H ATOM 14490 OH2 TIP3 4154 4.245 50.905 20.815 1.00 0.00 SOLV O ATOM 14491 H1 TIP3 4154 5.010 51.360 21.220 1.00 0.00 SOLV H ATOM 14492 H2 TIP3 4154 4.718 50.401 20.118 1.00 0.00 SOLV H ATOM 14493 OH2 TIP3 4155 1.835 44.002 20.261 1.00 0.00 SOLV O ATOM 14494 H1 TIP3 4155 2.079 44.943 20.348 1.00 0.00 SOLV H ATOM 14495 H2 TIP3 4155 1.613 43.930 19.311 1.00 0.00 SOLV H ATOM 14496 OH2 TIP3 4156 15.801 54.788 29.951 1.00 0.00 SOLV O ATOM 14497 H1 TIP3 4156 15.658 55.472 29.256 1.00 0.00 SOLV H ATOM 14498 H2 TIP3 4156 16.779 54.810 30.030 1.00 0.00 SOLV H ATOM 14499 OH2 TIP3 4157 3.137 38.899 28.672 1.00 0.00 SOLV O ATOM 14500 H1 TIP3 4157 3.068 38.722 27.708 1.00 0.00 SOLV H ATOM 14501 H2 TIP3 4157 2.834 38.041 29.049 1.00 0.00 SOLV H ATOM 14502 OH2 TIP3 4158 2.014 52.688 24.660 1.00 0.00 SOLV O ATOM 14503 H1 TIP3 4158 1.336 52.949 25.302 1.00 0.00 SOLV H ATOM 14504 H2 TIP3 4158 1.910 53.370 23.958 1.00 0.00 SOLV H ATOM 14505 OH2 TIP3 4159 1.844 55.553 36.331 1.00 0.00 SOLV O ATOM 14506 H1 TIP3 4159 2.317 55.599 37.190 1.00 0.00 SOLV H ATOM 14507 H2 TIP3 4159 1.961 54.598 36.149 1.00 0.00 SOLV H ATOM 14508 OH2 TIP3 4160 5.722 54.004 37.842 1.00 0.00 SOLV O ATOM 14509 H1 TIP3 4160 6.629 53.766 38.079 1.00 0.00 SOLV H ATOM 14510 H2 TIP3 4160 5.638 53.586 36.960 1.00 0.00 SOLV H ATOM 14511 OH2 TIP3 4161 10.167 53.691 19.081 1.00 0.00 SOLV O ATOM 14512 H1 TIP3 4161 9.456 53.012 19.165 1.00 0.00 SOLV H ATOM 14513 H2 TIP3 4161 10.926 53.136 18.823 1.00 0.00 SOLV H ATOM 14514 OH2 TIP3 4162 12.463 52.556 36.671 1.00 0.00 SOLV O ATOM 14515 H1 TIP3 4162 12.168 51.749 37.155 1.00 0.00 SOLV H ATOM 14516 H2 TIP3 4162 13.209 52.860 37.227 1.00 0.00 SOLV H ATOM 14517 OH2 TIP3 4163 14.567 53.341 19.462 1.00 0.00 SOLV O ATOM 14518 H1 TIP3 4163 14.646 52.509 19.975 1.00 0.00 SOLV H ATOM 14519 H2 TIP3 4163 15.335 53.300 18.863 1.00 0.00 SOLV H ATOM 14520 OH2 TIP3 4164 1.442 49.287 37.003 1.00 0.00 SOLV O ATOM 14521 H1 TIP3 4164 1.494 48.314 36.865 1.00 0.00 SOLV H ATOM 14522 H2 TIP3 4164 0.529 49.450 36.721 1.00 0.00 SOLV H ATOM 14523 OH2 TIP3 4165 5.633 49.126 19.353 1.00 0.00 SOLV O ATOM 14524 H1 TIP3 4165 5.981 48.662 20.144 1.00 0.00 SOLV H ATOM 14525 H2 TIP3 4165 6.462 49.218 18.832 1.00 0.00 SOLV H ATOM 14526 OH2 TIP3 4166 7.823 49.310 36.712 1.00 0.00 SOLV O ATOM 14527 H1 TIP3 4166 7.730 49.797 35.865 1.00 0.00 SOLV H ATOM 14528 H2 TIP3 4166 8.063 48.409 36.412 1.00 0.00 SOLV H ATOM 14529 OH2 TIP3 4167 11.387 50.573 19.256 1.00 0.00 SOLV O ATOM 14530 H1 TIP3 4167 11.091 50.500 20.187 1.00 0.00 SOLV H ATOM 14531 H2 TIP3 4167 11.243 49.651 18.945 1.00 0.00 SOLV H ATOM 14532 OH2 TIP3 4168 13.586 49.277 34.238 1.00 0.00 SOLV O ATOM 14533 H1 TIP3 4168 14.517 49.543 34.105 1.00 0.00 SOLV H ATOM 14534 H2 TIP3 4168 13.132 50.131 34.077 1.00 0.00 SOLV H ATOM 14535 OH2 TIP3 4169 1.716 46.580 36.751 1.00 0.00 SOLV O ATOM 14536 H1 TIP3 4169 2.324 45.960 36.326 1.00 0.00 SOLV H ATOM 14537 H2 TIP3 4169 2.021 46.540 37.682 1.00 0.00 SOLV H ATOM 14538 OH2 TIP3 4170 6.730 47.663 21.548 1.00 0.00 SOLV O ATOM 14539 H1 TIP3 4170 6.224 47.188 22.229 1.00 0.00 SOLV H ATOM 14540 H2 TIP3 4170 7.158 46.933 21.053 1.00 0.00 SOLV H ATOM 14541 OH2 TIP3 4171 6.126 45.287 34.038 1.00 0.00 SOLV O ATOM 14542 H1 TIP3 4171 5.439 45.984 33.984 1.00 0.00 SOLV H ATOM 14543 H2 TIP3 4171 6.859 45.688 33.512 1.00 0.00 SOLV H ATOM 14544 OH2 TIP3 4172 7.990 45.775 19.912 1.00 0.00 SOLV O ATOM 14545 H1 TIP3 4172 8.012 46.097 18.985 1.00 0.00 SOLV H ATOM 14546 H2 TIP3 4172 8.945 45.607 20.061 1.00 0.00 SOLV H ATOM 14547 OH2 TIP3 4173 11.252 47.916 37.388 1.00 0.00 SOLV O ATOM 14548 H1 TIP3 4173 12.018 47.494 36.976 1.00 0.00 SOLV H ATOM 14549 H2 TIP3 4173 10.893 47.197 37.940 1.00 0.00 SOLV H ATOM 14550 OH2 TIP3 4174 16.999 47.871 19.501 1.00 0.00 SOLV O ATOM 14551 H1 TIP3 4174 17.017 47.696 18.538 1.00 0.00 SOLV H ATOM 14552 H2 TIP3 4174 16.870 48.849 19.472 1.00 0.00 SOLV H ATOM 14553 OH2 TIP3 4175 6.705 42.839 35.002 1.00 0.00 SOLV O ATOM 14554 H1 TIP3 4175 6.775 42.216 34.249 1.00 0.00 SOLV H ATOM 14555 H2 TIP3 4175 6.527 43.691 34.539 1.00 0.00 SOLV H ATOM 14556 OH2 TIP3 4176 6.963 41.148 32.729 1.00 0.00 SOLV O ATOM 14557 H1 TIP3 4176 7.514 41.646 32.097 1.00 0.00 SOLV H ATOM 14558 H2 TIP3 4176 6.101 41.117 32.262 1.00 0.00 SOLV H ATOM 14559 OH2 TIP3 4177 8.184 46.472 32.834 1.00 0.00 SOLV O ATOM 14560 H1 TIP3 4177 9.138 46.520 32.691 1.00 0.00 SOLV H ATOM 14561 H2 TIP3 4177 7.867 47.279 32.375 1.00 0.00 SOLV H ATOM 14562 OH2 TIP3 4178 12.622 44.258 37.586 1.00 0.00 SOLV O ATOM 14563 H1 TIP3 4178 13.031 43.381 37.639 1.00 0.00 SOLV H ATOM 14564 H2 TIP3 4178 13.394 44.837 37.508 1.00 0.00 SOLV H ATOM 14565 OH2 TIP3 4179 14.073 47.201 35.915 1.00 0.00 SOLV O ATOM 14566 H1 TIP3 4179 13.764 47.936 35.335 1.00 0.00 SOLV H ATOM 14567 H2 TIP3 4179 15.045 47.300 35.798 1.00 0.00 SOLV H ATOM 14568 OH2 TIP3 4180 5.016 43.487 37.209 1.00 0.00 SOLV O ATOM 14569 H1 TIP3 4180 4.262 42.900 36.996 1.00 0.00 SOLV H ATOM 14570 H2 TIP3 4180 5.530 43.449 36.377 1.00 0.00 SOLV H ATOM 14571 OH2 TIP3 4181 7.634 38.420 33.141 1.00 0.00 SOLV O ATOM 14572 H1 TIP3 4181 7.337 39.341 32.992 1.00 0.00 SOLV H ATOM 14573 H2 TIP3 4181 6.919 37.910 32.703 1.00 0.00 SOLV H ATOM 14574 OH2 TIP3 4182 9.000 42.519 36.556 1.00 0.00 SOLV O ATOM 14575 H1 TIP3 4182 8.555 42.225 37.373 1.00 0.00 SOLV H ATOM 14576 H2 TIP3 4182 8.216 42.593 35.968 1.00 0.00 SOLV H ATOM 14577 OH2 TIP3 4183 11.434 41.661 35.314 1.00 0.00 SOLV O ATOM 14578 H1 TIP3 4183 10.642 41.838 35.857 1.00 0.00 SOLV H ATOM 14579 H2 TIP3 4183 12.096 41.401 35.980 1.00 0.00 SOLV H ATOM 14580 OH2 TIP3 4184 13.257 40.722 37.450 1.00 0.00 SOLV O ATOM 14581 H1 TIP3 4184 13.084 39.759 37.407 1.00 0.00 SOLV H ATOM 14582 H2 TIP3 4184 12.991 40.929 38.371 1.00 0.00 SOLV H ATOM 14583 OH2 TIP3 4185 2.952 41.634 36.838 1.00 0.00 SOLV O ATOM 14584 H1 TIP3 4185 2.879 40.836 36.276 1.00 0.00 SOLV H ATOM 14585 H2 TIP3 4185 3.129 41.216 37.706 1.00 0.00 SOLV H ATOM 14586 OH2 TIP3 4186 7.791 37.837 35.818 1.00 0.00 SOLV O ATOM 14587 H1 TIP3 4186 8.322 37.022 35.722 1.00 0.00 SOLV H ATOM 14588 H2 TIP3 4186 7.669 38.074 34.876 1.00 0.00 SOLV H ATOM 14589 OH2 TIP3 4187 8.338 39.447 37.955 1.00 0.00 SOLV O ATOM 14590 H1 TIP3 4187 8.205 38.922 37.134 1.00 0.00 SOLV H ATOM 14591 H2 TIP3 4187 7.690 40.174 37.836 1.00 0.00 SOLV H ATOM 14592 OH2 TIP3 4188 7.844 56.457 21.140 1.00 0.00 SOLV O ATOM 14593 H1 TIP3 4188 8.774 56.164 21.110 1.00 0.00 SOLV H ATOM 14594 H2 TIP3 4188 7.871 57.162 20.466 1.00 0.00 SOLV H ATOM 14595 OH2 TIP3 4189 1.672 51.388 19.955 1.00 0.00 SOLV O ATOM 14596 H1 TIP3 4189 2.536 51.245 20.394 1.00 0.00 SOLV H ATOM 14597 H2 TIP3 4189 1.492 50.515 19.563 1.00 0.00 SOLV H ATOM 14598 OH2 TIP3 4190 1.207 54.331 27.269 1.00 0.00 SOLV O ATOM 14599 H1 TIP3 4190 1.122 53.453 27.705 1.00 0.00 SOLV H ATOM 14600 H2 TIP3 4190 1.741 54.794 27.937 1.00 0.00 SOLV H ATOM 14601 OH2 TIP3 4191 18.497 54.986 30.496 1.00 0.00 SOLV O ATOM 14602 H1 TIP3 4191 18.438 55.160 31.456 1.00 0.00 SOLV H ATOM 14603 H2 TIP3 4191 19.236 55.558 30.237 1.00 0.00 SOLV H ATOM 14604 OH2 TIP3 4192 17.904 54.751 33.244 1.00 0.00 SOLV O ATOM 14605 H1 TIP3 4192 17.383 53.985 32.923 1.00 0.00 SOLV H ATOM 14606 H2 TIP3 4192 18.444 54.311 33.922 1.00 0.00 SOLV H ATOM 14607 OH2 TIP3 4193 16.403 50.480 38.009 1.00 0.00 SOLV O ATOM 14608 H1 TIP3 4193 15.568 50.605 38.502 1.00 0.00 SOLV H ATOM 14609 H2 TIP3 4193 16.940 51.226 38.347 1.00 0.00 SOLV H ATOM 14610 OH2 TIP3 4194 17.771 48.819 23.288 1.00 0.00 SOLV O ATOM 14611 H1 TIP3 4194 18.540 49.428 23.302 1.00 0.00 SOLV H ATOM 14612 H2 TIP3 4194 17.944 48.267 24.080 1.00 0.00 SOLV H ATOM 14613 OH2 TIP3 4195 18.090 46.989 25.346 1.00 0.00 SOLV O ATOM 14614 H1 TIP3 4195 17.224 46.533 25.451 1.00 0.00 SOLV H ATOM 14615 H2 TIP3 4195 18.269 47.247 26.257 1.00 0.00 SOLV H ATOM 14616 OH2 TIP3 4196 18.270 49.677 30.233 1.00 0.00 SOLV O ATOM 14617 H1 TIP3 4196 18.809 49.491 29.456 1.00 0.00 SOLV H ATOM 14618 H2 TIP3 4196 18.224 50.649 30.172 1.00 0.00 SOLV H ATOM 14619 OH2 TIP3 4197 16.318 52.553 32.497 1.00 0.00 SOLV O ATOM 14620 H1 TIP3 4197 15.582 53.024 32.937 1.00 0.00 SOLV H ATOM 14621 H2 TIP3 4197 15.959 52.409 31.596 1.00 0.00 SOLV H ATOM 14622 OH2 TIP3 4198 18.451 46.806 21.552 1.00 0.00 SOLV O ATOM 14623 H1 TIP3 4198 17.946 47.073 20.751 1.00 0.00 SOLV H ATOM 14624 H2 TIP3 4198 18.160 47.517 22.162 1.00 0.00 SOLV H ATOM 14625 OH2 TIP3 4199 16.930 43.980 20.006 1.00 0.00 SOLV O ATOM 14626 H1 TIP3 4199 16.704 44.573 19.281 1.00 0.00 SOLV H ATOM 14627 H2 TIP3 4199 16.630 43.123 19.634 1.00 0.00 SOLV H ATOM 14628 OH2 TIP3 4200 15.835 45.598 25.937 1.00 0.00 SOLV O ATOM 14629 H1 TIP3 4200 16.134 44.674 25.895 1.00 0.00 SOLV H ATOM 14630 H2 TIP3 4200 15.445 45.614 26.839 1.00 0.00 SOLV H ATOM 14631 OH2 TIP3 4201 1.012 48.330 30.079 1.00 0.00 SOLV O ATOM 14632 H1 TIP3 4201 1.177 48.097 29.145 1.00 0.00 SOLV H ATOM 14633 H2 TIP3 4201 1.772 47.883 30.500 1.00 0.00 SOLV H ATOM 14634 OH2 TIP3 4202 16.819 47.463 35.687 1.00 0.00 SOLV O ATOM 14635 H1 TIP3 4202 17.334 46.635 35.546 1.00 0.00 SOLV H ATOM 14636 H2 TIP3 4202 17.354 48.116 35.213 1.00 0.00 SOLV H ATOM 14637 OH2 TIP3 4203 18.193 45.143 35.559 1.00 0.00 SOLV O ATOM 14638 H1 TIP3 4203 17.484 44.466 35.596 1.00 0.00 SOLV H ATOM 14639 H2 TIP3 4203 18.973 44.582 35.697 1.00 0.00 SOLV H ATOM 14640 OH2 TIP3 4204 16.055 41.589 18.982 1.00 0.00 SOLV O ATOM 14641 H1 TIP3 4204 16.480 41.015 19.647 1.00 0.00 SOLV H ATOM 14642 H2 TIP3 4204 15.179 41.182 18.850 1.00 0.00 SOLV H ATOM 14643 OH2 TIP3 4205 15.753 42.983 24.101 1.00 0.00 SOLV O ATOM 14644 H1 TIP3 4205 16.112 42.087 24.246 1.00 0.00 SOLV H ATOM 14645 H2 TIP3 4205 16.511 43.426 23.670 1.00 0.00 SOLV H ATOM 14646 OH2 TIP3 4206 0.877 43.439 36.463 1.00 0.00 SOLV O ATOM 14647 H1 TIP3 4206 1.674 42.867 36.517 1.00 0.00 SOLV H ATOM 14648 H2 TIP3 4206 0.222 42.771 36.183 1.00 0.00 SOLV H ATOM 14649 OH2 TIP3 4207 16.366 40.139 24.530 1.00 0.00 SOLV O ATOM 14650 H1 TIP3 4207 16.980 39.405 24.393 1.00 0.00 SOLV H ATOM 14651 H2 TIP3 4207 15.565 39.787 24.089 1.00 0.00 SOLV H ATOM 14652 OH2 TIP3 4208 1.596 41.207 28.813 1.00 0.00 SOLV O ATOM 14653 H1 TIP3 4208 2.051 40.341 28.868 1.00 0.00 SOLV H ATOM 14654 H2 TIP3 4208 2.325 41.802 29.055 1.00 0.00 SOLV H ATOM 14655 OH2 TIP3 4209 0.460 45.450 29.761 1.00 0.00 SOLV O ATOM 14656 H1 TIP3 4209 0.814 45.205 28.889 1.00 0.00 SOLV H ATOM 14657 H2 TIP3 4209 1.208 45.978 30.099 1.00 0.00 SOLV H ATOM 14658 OH2 TIP3 4210 17.825 40.270 20.738 1.00 0.00 SOLV O ATOM 14659 H1 TIP3 4210 18.314 39.713 20.097 1.00 0.00 SOLV H ATOM 14660 H2 TIP3 4210 18.533 40.833 21.105 1.00 0.00 SOLV H ATOM 14661 OH2 TIP3 4211 1.240 39.735 23.908 1.00 0.00 SOLV O ATOM 14662 H1 TIP3 4211 0.272 39.809 23.925 1.00 0.00 SOLV H ATOM 14663 H2 TIP3 4211 1.463 40.589 23.481 1.00 0.00 SOLV H ATOM 14664 OH2 TIP3 4212 15.189 55.405 25.877 1.00 0.00 SOLV O ATOM 14665 H1 TIP3 4212 15.938 55.403 25.244 1.00 0.00 SOLV H ATOM 14666 H2 TIP3 4212 15.580 55.843 26.653 1.00 0.00 SOLV H ATOM 14667 OH2 TIP3 4213 0.595 39.009 32.174 1.00 0.00 SOLV O ATOM 14668 H1 TIP3 4213 -0.295 38.806 32.517 1.00 0.00 SOLV H ATOM 14669 H2 TIP3 4213 0.417 39.775 31.616 1.00 0.00 SOLV H ATOM 14670 OH2 TIP3 4214 2.341 52.764 36.239 1.00 0.00 SOLV O ATOM 14671 H1 TIP3 4214 2.272 52.045 35.579 1.00 0.00 SOLV H ATOM 14672 H2 TIP3 4214 2.157 52.311 37.072 1.00 0.00 SOLV H ATOM 14673 OH2 TIP3 4215 5.681 53.492 32.634 1.00 0.00 SOLV O ATOM 14674 H1 TIP3 4215 5.436 54.400 32.351 1.00 0.00 SOLV H ATOM 14675 H2 TIP3 4215 6.638 53.541 32.424 1.00 0.00 SOLV H ATOM 14676 OH2 TIP3 4216 9.678 54.662 35.448 1.00 0.00 SOLV O ATOM 14677 H1 TIP3 4216 9.838 54.392 36.379 1.00 0.00 SOLV H ATOM 14678 H2 TIP3 4216 10.508 55.152 35.263 1.00 0.00 SOLV H ATOM 14679 OH2 TIP3 4217 11.988 56.084 35.026 1.00 0.00 SOLV O ATOM 14680 H1 TIP3 4217 12.720 55.573 34.656 1.00 0.00 SOLV H ATOM 14681 H2 TIP3 4217 12.408 56.428 35.847 1.00 0.00 SOLV H ATOM 14682 OH2 TIP3 4218 2.783 56.520 32.772 1.00 0.00 SOLV O ATOM 14683 H1 TIP3 4218 2.039 57.053 32.437 1.00 0.00 SOLV H ATOM 14684 H2 TIP3 4218 2.797 56.805 33.699 1.00 0.00 SOLV H ATOM 14685 OH2 TIP3 4219 5.374 56.078 31.871 1.00 0.00 SOLV O ATOM 14686 H1 TIP3 4219 4.443 56.291 32.103 1.00 0.00 SOLV H ATOM 14687 H2 TIP3 4219 5.480 56.562 31.027 1.00 0.00 SOLV H ATOM 14688 OH2 TIP3 4220 9.985 55.846 31.005 1.00 0.00 SOLV O ATOM 14689 H1 TIP3 4220 9.526 56.282 30.266 1.00 0.00 SOLV H ATOM 14690 H2 TIP3 4220 10.110 56.591 31.632 1.00 0.00 SOLV H ATOM 14691 OH2 TIP3 4221 12.338 54.628 31.997 1.00 0.00 SOLV O ATOM 14692 H1 TIP3 4221 11.531 55.054 31.648 1.00 0.00 SOLV H ATOM 14693 H2 TIP3 4221 13.008 55.316 31.835 1.00 0.00 SOLV H ATOM 14694 OH2 TIP3 4222 14.715 56.250 32.011 1.00 0.00 SOLV O ATOM 14695 H1 TIP3 4222 14.877 57.188 31.770 1.00 0.00 SOLV H ATOM 14696 H2 TIP3 4222 15.132 55.782 31.254 1.00 0.00 SOLV H ATOM 14697 OH2 TIP3 4223 2.535 55.233 29.540 1.00 0.00 SOLV O ATOM 14698 H1 TIP3 4223 2.237 54.677 30.286 1.00 0.00 SOLV H ATOM 14699 H2 TIP3 4223 3.283 54.689 29.203 1.00 0.00 SOLV H ATOM 14700 OH2 TIP3 4224 4.504 53.788 28.394 1.00 0.00 SOLV O ATOM 14701 H1 TIP3 4224 4.342 52.869 28.714 1.00 0.00 SOLV H ATOM 14702 H2 TIP3 4224 5.430 53.927 28.684 1.00 0.00 SOLV H ATOM 14703 OH2 TIP3 4225 7.124 54.107 29.354 1.00 0.00 SOLV O ATOM 14704 H1 TIP3 4225 7.260 53.165 29.120 1.00 0.00 SOLV H ATOM 14705 H2 TIP3 4225 7.460 54.086 30.272 1.00 0.00 SOLV H ATOM 14706 OH2 TIP3 4226 10.502 39.954 28.405 1.00 0.00 SOLV O ATOM 14707 H1 TIP3 4226 9.868 39.223 28.493 1.00 0.00 SOLV H ATOM 14708 H2 TIP3 4226 11.240 39.539 27.910 1.00 0.00 SOLV H ATOM 14709 OH2 TIP3 4227 2.932 38.547 25.908 1.00 0.00 SOLV O ATOM 14710 H1 TIP3 4227 2.267 38.656 25.200 1.00 0.00 SOLV H ATOM 14711 H2 TIP3 4227 3.193 37.603 25.802 1.00 0.00 SOLV H ATOM 14712 OH2 TIP3 4228 1.806 38.165 21.671 1.00 0.00 SOLV O ATOM 14713 H1 TIP3 4228 2.264 38.811 21.109 1.00 0.00 SOLV H ATOM 14714 H2 TIP3 4228 1.678 38.664 22.501 1.00 0.00 SOLV H ATOM 14715 OH2 TIP3 4229 7.546 38.210 25.963 1.00 0.00 SOLV O ATOM 14716 H1 TIP3 4229 8.279 38.726 25.590 1.00 0.00 SOLV H ATOM 14717 H2 TIP3 4229 7.658 38.357 26.916 1.00 0.00 SOLV H ATOM 14718 OH2 TIP3 4230 12.561 38.668 26.956 1.00 0.00 SOLV O ATOM 14719 H1 TIP3 4230 12.631 38.404 26.035 1.00 0.00 SOLV H ATOM 14720 H2 TIP3 4230 12.325 37.820 27.394 1.00 0.00 SOLV H ATOM 14721 OH2 TIP3 4231 14.308 38.782 23.261 1.00 0.00 SOLV O ATOM 14722 H1 TIP3 4231 13.523 39.363 23.358 1.00 0.00 SOLV H ATOM 14723 H2 TIP3 4231 13.888 37.897 23.341 1.00 0.00 SOLV H ATOM 14724 OH2 TIP3 4232 1.732 54.521 22.653 1.00 0.00 SOLV O ATOM 14725 H1 TIP3 4232 1.044 54.138 22.101 1.00 0.00 SOLV H ATOM 14726 H2 TIP3 4232 1.792 55.433 22.289 1.00 0.00 SOLV H ATOM 14727 OH2 TIP3 4233 3.698 40.143 20.266 1.00 0.00 SOLV O ATOM 14728 H1 TIP3 4233 4.179 39.561 19.640 1.00 0.00 SOLV H ATOM 14729 H2 TIP3 4233 4.427 40.413 20.865 1.00 0.00 SOLV H ATOM 14730 OH2 TIP3 4234 8.421 40.754 22.774 1.00 0.00 SOLV O ATOM 14731 H1 TIP3 4234 8.763 40.069 23.374 1.00 0.00 SOLV H ATOM 14732 H2 TIP3 4234 8.676 41.558 23.279 1.00 0.00 SOLV H ATOM 14733 OH2 TIP3 4235 10.426 55.521 21.088 1.00 0.00 SOLV O ATOM 14734 H1 TIP3 4235 11.389 55.673 20.988 1.00 0.00 SOLV H ATOM 14735 H2 TIP3 4235 10.274 54.973 20.282 1.00 0.00 SOLV H ATOM 14736 OH2 TIP3 4236 17.223 55.251 24.000 1.00 0.00 SOLV O ATOM 14737 H1 TIP3 4236 17.039 54.344 23.658 1.00 0.00 SOLV H ATOM 14738 H2 TIP3 4236 17.020 55.786 23.205 1.00 0.00 SOLV H ATOM 14739 OH2 TIP3 4237 2.774 39.184 35.471 1.00 0.00 SOLV O ATOM 14740 H1 TIP3 4237 2.195 38.426 35.703 1.00 0.00 SOLV H ATOM 14741 H2 TIP3 4237 3.588 38.916 35.949 1.00 0.00 SOLV H ATOM 14742 OH2 TIP3 4238 4.885 38.453 37.170 1.00 0.00 SOLV O ATOM 14743 H1 TIP3 4238 5.765 38.112 36.930 1.00 0.00 SOLV H ATOM 14744 H2 TIP3 4238 4.494 37.672 37.617 1.00 0.00 SOLV H ATOM 14745 OH2 TIP3 4239 3.483 55.353 19.590 1.00 0.00 SOLV O ATOM 14746 H1 TIP3 4239 3.259 55.213 20.520 1.00 0.00 SOLV H ATOM 14747 H2 TIP3 4239 4.232 54.722 19.464 1.00 0.00 SOLV H ATOM 14748 OH2 TIP3 4240 13.130 37.915 37.328 1.00 0.00 SOLV O ATOM 14749 H1 TIP3 4240 13.076 37.413 38.170 1.00 0.00 SOLV H ATOM 14750 H2 TIP3 4240 14.084 37.816 37.113 1.00 0.00 SOLV H ATOM 14751 OH2 TIP3 4241 16.224 53.882 35.988 1.00 0.00 SOLV O ATOM 14752 H1 TIP3 4241 15.592 53.881 35.240 1.00 0.00 SOLV H ATOM 14753 H2 TIP3 4241 16.179 54.822 36.258 1.00 0.00 SOLV H ATOM 14754 OH2 TIP3 4242 19.809 44.815 24.819 1.00 0.00 SOLV O ATOM 14755 H1 TIP3 4242 19.267 45.614 24.941 1.00 0.00 SOLV H ATOM 14756 H2 TIP3 4242 19.283 44.317 24.182 1.00 0.00 SOLV H ATOM 14757 OH2 TIP3 4243 30.699 55.269 28.172 1.00 0.00 SOLV O ATOM 14758 H1 TIP3 4243 31.146 54.535 27.701 1.00 0.00 SOLV H ATOM 14759 H2 TIP3 4243 30.175 54.814 28.841 1.00 0.00 SOLV H ATOM 14760 OH2 TIP3 4244 30.779 50.746 24.802 1.00 0.00 SOLV O ATOM 14761 H1 TIP3 4244 30.201 50.147 24.315 1.00 0.00 SOLV H ATOM 14762 H2 TIP3 4244 30.164 51.479 25.030 1.00 0.00 SOLV H ATOM 14763 OH2 TIP3 4245 24.414 50.736 32.597 1.00 0.00 SOLV O ATOM 14764 H1 TIP3 4245 24.403 51.705 32.460 1.00 0.00 SOLV H ATOM 14765 H2 TIP3 4245 23.477 50.589 32.826 1.00 0.00 SOLV H ATOM 14766 OH2 TIP3 4246 20.093 50.407 23.167 1.00 0.00 SOLV O ATOM 14767 H1 TIP3 4246 20.031 50.902 22.329 1.00 0.00 SOLV H ATOM 14768 H2 TIP3 4246 20.463 51.093 23.765 1.00 0.00 SOLV H ATOM 14769 OH2 TIP3 4247 33.327 52.310 30.367 1.00 0.00 SOLV O ATOM 14770 H1 TIP3 4247 33.053 52.299 29.443 1.00 0.00 SOLV H ATOM 14771 H2 TIP3 4247 33.828 53.159 30.362 1.00 0.00 SOLV H ATOM 14772 OH2 TIP3 4248 32.130 53.550 26.568 1.00 0.00 SOLV O ATOM 14773 H1 TIP3 4248 32.545 52.744 26.185 1.00 0.00 SOLV H ATOM 14774 H2 TIP3 4248 32.865 54.190 26.410 1.00 0.00 SOLV H ATOM 14775 OH2 TIP3 4249 33.285 51.377 25.383 1.00 0.00 SOLV O ATOM 14776 H1 TIP3 4249 32.370 51.184 25.059 1.00 0.00 SOLV H ATOM 14777 H2 TIP3 4249 33.601 50.485 25.557 1.00 0.00 SOLV H ATOM 14778 OH2 TIP3 4250 29.508 45.611 20.164 1.00 0.00 SOLV O ATOM 14779 H1 TIP3 4250 29.753 45.900 21.055 1.00 0.00 SOLV H ATOM 14780 H2 TIP3 4250 30.308 45.126 19.869 1.00 0.00 SOLV H ATOM 14781 OH2 TIP3 4251 26.120 51.622 28.821 1.00 0.00 SOLV O ATOM 14782 H1 TIP3 4251 26.021 51.518 27.858 1.00 0.00 SOLV H ATOM 14783 H2 TIP3 4251 26.264 50.718 29.129 1.00 0.00 SOLV H ATOM 14784 OH2 TIP3 4252 26.135 50.928 34.725 1.00 0.00 SOLV O ATOM 14785 H1 TIP3 4252 25.533 51.562 35.176 1.00 0.00 SOLV H ATOM 14786 H2 TIP3 4252 25.583 50.701 33.945 1.00 0.00 SOLV H ATOM 14787 OH2 TIP3 4253 22.822 47.105 34.109 1.00 0.00 SOLV O ATOM 14788 H1 TIP3 4253 22.826 47.954 34.590 1.00 0.00 SOLV H ATOM 14789 H2 TIP3 4253 21.872 47.008 33.907 1.00 0.00 SOLV H ATOM 14790 OH2 TIP3 4254 29.497 53.024 25.563 1.00 0.00 SOLV O ATOM 14791 H1 TIP3 4254 30.309 53.413 25.930 1.00 0.00 SOLV H ATOM 14792 H2 TIP3 4254 29.141 53.735 25.011 1.00 0.00 SOLV H ATOM 14793 OH2 TIP3 4255 24.103 52.735 35.381 1.00 0.00 SOLV O ATOM 14794 H1 TIP3 4255 24.043 53.126 34.492 1.00 0.00 SOLV H ATOM 14795 H2 TIP3 4255 23.160 52.683 35.648 1.00 0.00 SOLV H ATOM 14796 OH2 TIP3 4256 35.269 38.446 21.080 1.00 0.00 SOLV O ATOM 14797 H1 TIP3 4256 34.940 38.312 21.982 1.00 0.00 SOLV H ATOM 14798 H2 TIP3 4256 35.902 39.182 21.189 1.00 0.00 SOLV H ATOM 14799 OH2 TIP3 4257 23.728 46.805 23.057 1.00 0.00 SOLV O ATOM 14800 H1 TIP3 4257 23.092 47.495 22.782 1.00 0.00 SOLV H ATOM 14801 H2 TIP3 4257 23.178 46.206 23.570 1.00 0.00 SOLV H ATOM 14802 OH2 TIP3 4258 36.710 52.466 20.364 1.00 0.00 SOLV O ATOM 14803 H1 TIP3 4258 36.988 53.404 20.446 1.00 0.00 SOLV H ATOM 14804 H2 TIP3 4258 37.584 52.015 20.391 1.00 0.00 SOLV H ATOM 14805 OH2 TIP3 4259 19.518 49.364 32.784 1.00 0.00 SOLV O ATOM 14806 H1 TIP3 4259 19.049 49.339 31.926 1.00 0.00 SOLV H ATOM 14807 H2 TIP3 4259 19.724 48.419 32.941 1.00 0.00 SOLV H ATOM 14808 OH2 TIP3 4260 19.341 52.323 29.544 1.00 0.00 SOLV O ATOM 14809 H1 TIP3 4260 20.213 52.209 29.953 1.00 0.00 SOLV H ATOM 14810 H2 TIP3 4260 19.005 53.091 30.041 1.00 0.00 SOLV H ATOM 14811 OH2 TIP3 4261 37.825 53.181 35.702 1.00 0.00 SOLV O ATOM 14812 H1 TIP3 4261 37.670 52.308 35.272 1.00 0.00 SOLV H ATOM 14813 H2 TIP3 4261 36.898 53.398 35.952 1.00 0.00 SOLV H ATOM 14814 OH2 TIP3 4262 28.249 52.489 33.839 1.00 0.00 SOLV O ATOM 14815 H1 TIP3 4262 28.370 53.172 34.533 1.00 0.00 SOLV H ATOM 14816 H2 TIP3 4262 27.567 51.919 34.254 1.00 0.00 SOLV H ATOM 14817 OH2 TIP3 4263 29.304 55.857 24.009 1.00 0.00 SOLV O ATOM 14818 H1 TIP3 4263 29.023 55.955 23.083 1.00 0.00 SOLV H ATOM 14819 H2 TIP3 4263 28.997 56.697 24.403 1.00 0.00 SOLV H ATOM 14820 OH2 TIP3 4264 22.631 54.794 25.929 1.00 0.00 SOLV O ATOM 14821 H1 TIP3 4264 22.837 54.471 26.831 1.00 0.00 SOLV H ATOM 14822 H2 TIP3 4264 22.122 54.049 25.562 1.00 0.00 SOLV H ATOM 14823 OH2 TIP3 4265 32.011 55.333 20.737 1.00 0.00 SOLV O ATOM 14824 H1 TIP3 4265 32.558 54.598 20.381 1.00 0.00 SOLV H ATOM 14825 H2 TIP3 4265 32.140 55.220 21.704 1.00 0.00 SOLV H ATOM 14826 OH2 TIP3 4266 31.896 55.210 23.498 1.00 0.00 SOLV O ATOM 14827 H1 TIP3 4266 30.955 55.364 23.737 1.00 0.00 SOLV H ATOM 14828 H2 TIP3 4266 32.185 54.615 24.205 1.00 0.00 SOLV H ATOM 14829 OH2 TIP3 4267 21.783 50.815 33.427 1.00 0.00 SOLV O ATOM 14830 H1 TIP3 4267 22.020 50.451 34.306 1.00 0.00 SOLV H ATOM 14831 H2 TIP3 4267 20.975 50.302 33.217 1.00 0.00 SOLV H ATOM 14832 OH2 TIP3 4268 32.996 47.221 19.563 1.00 0.00 SOLV O ATOM 14833 H1 TIP3 4268 33.119 47.214 18.596 1.00 0.00 SOLV H ATOM 14834 H2 TIP3 4268 33.919 47.278 19.870 1.00 0.00 SOLV H ATOM 14835 OH2 TIP3 4269 25.956 41.673 19.517 1.00 0.00 SOLV O ATOM 14836 H1 TIP3 4269 25.454 41.495 20.334 1.00 0.00 SOLV H ATOM 14837 H2 TIP3 4269 25.408 42.399 19.161 1.00 0.00 SOLV H ATOM 14838 OH2 TIP3 4270 19.820 42.159 21.856 1.00 0.00 SOLV O ATOM 14839 H1 TIP3 4270 20.458 42.607 21.255 1.00 0.00 SOLV H ATOM 14840 H2 TIP3 4270 19.294 42.938 22.126 1.00 0.00 SOLV H ATOM 14841 OH2 TIP3 4271 24.662 43.785 20.934 1.00 0.00 SOLV O ATOM 14842 H1 TIP3 4271 24.163 43.868 20.097 1.00 0.00 SOLV H ATOM 14843 H2 TIP3 4271 25.375 44.434 20.775 1.00 0.00 SOLV H ATOM 14844 OH2 TIP3 4272 35.004 56.568 36.562 1.00 0.00 SOLV O ATOM 14845 H1 TIP3 4272 35.271 57.028 35.746 1.00 0.00 SOLV H ATOM 14846 H2 TIP3 4272 35.739 56.800 37.164 1.00 0.00 SOLV H ATOM 14847 OH2 TIP3 4273 22.550 49.339 35.779 1.00 0.00 SOLV O ATOM 14848 H1 TIP3 4273 23.257 49.394 36.454 1.00 0.00 SOLV H ATOM 14849 H2 TIP3 4273 21.761 49.322 36.355 1.00 0.00 SOLV H ATOM 14850 OH2 TIP3 4274 23.296 40.095 25.266 1.00 0.00 SOLV O ATOM 14851 H1 TIP3 4274 22.494 40.304 24.778 1.00 0.00 SOLV H ATOM 14852 H2 TIP3 4274 23.641 40.962 25.503 1.00 0.00 SOLV H ATOM 14853 OH2 TIP3 4275 27.353 49.544 22.692 1.00 0.00 SOLV O ATOM 14854 H1 TIP3 4275 26.861 48.797 22.290 1.00 0.00 SOLV H ATOM 14855 H2 TIP3 4275 27.089 49.455 23.638 1.00 0.00 SOLV H ATOM 14856 OH2 TIP3 4276 29.708 50.549 21.751 1.00 0.00 SOLV O ATOM 14857 H1 TIP3 4276 29.437 51.466 21.981 1.00 0.00 SOLV H ATOM 14858 H2 TIP3 4276 28.933 50.059 22.101 1.00 0.00 SOLV H ATOM 14859 OH2 TIP3 4277 20.046 46.863 33.895 1.00 0.00 SOLV O ATOM 14860 H1 TIP3 4277 19.828 46.567 34.797 1.00 0.00 SOLV H ATOM 14861 H2 TIP3 4277 19.300 46.497 33.372 1.00 0.00 SOLV H ATOM 14862 OH2 TIP3 4278 26.477 46.682 35.792 1.00 0.00 SOLV O ATOM 14863 H1 TIP3 4278 25.797 46.286 35.232 1.00 0.00 SOLV H ATOM 14864 H2 TIP3 4278 26.910 45.917 36.180 1.00 0.00 SOLV H ATOM 14865 OH2 TIP3 4279 37.193 44.147 22.431 1.00 0.00 SOLV O ATOM 14866 H1 TIP3 4279 36.818 43.766 21.627 1.00 0.00 SOLV H ATOM 14867 H2 TIP3 4279 37.356 45.059 22.117 1.00 0.00 SOLV H ATOM 14868 OH2 TIP3 4280 37.237 50.685 34.652 1.00 0.00 SOLV O ATOM 14869 H1 TIP3 4280 36.526 50.478 35.279 1.00 0.00 SOLV H ATOM 14870 H2 TIP3 4280 37.150 50.023 33.961 1.00 0.00 SOLV H ATOM 14871 OH2 TIP3 4281 35.487 52.841 22.862 1.00 0.00 SOLV O ATOM 14872 H1 TIP3 4281 34.967 52.090 23.168 1.00 0.00 SOLV H ATOM 14873 H2 TIP3 4281 35.798 52.560 21.981 1.00 0.00 SOLV H ATOM 14874 OH2 TIP3 4282 25.256 51.990 26.060 1.00 0.00 SOLV O ATOM 14875 H1 TIP3 4282 25.544 52.867 25.739 1.00 0.00 SOLV H ATOM 14876 H2 TIP3 4282 24.414 51.894 25.598 1.00 0.00 SOLV H ATOM 14877 OH2 TIP3 4283 21.039 46.645 20.609 1.00 0.00 SOLV O ATOM 14878 H1 TIP3 4283 21.491 47.375 21.088 1.00 0.00 SOLV H ATOM 14879 H2 TIP3 4283 20.144 46.702 21.011 1.00 0.00 SOLV H ATOM 14880 OH2 TIP3 4284 26.425 49.528 25.261 1.00 0.00 SOLV O ATOM 14881 H1 TIP3 4284 26.065 50.371 25.588 1.00 0.00 SOLV H ATOM 14882 H2 TIP3 4284 26.412 48.965 26.046 1.00 0.00 SOLV H ATOM 14883 OH2 TIP3 4285 27.124 53.892 31.800 1.00 0.00 SOLV O ATOM 14884 H1 TIP3 4285 27.821 54.563 31.654 1.00 0.00 SOLV H ATOM 14885 H2 TIP3 4285 27.552 53.335 32.487 1.00 0.00 SOLV H ATOM 14886 OH2 TIP3 4286 25.263 54.755 24.973 1.00 0.00 SOLV O ATOM 14887 H1 TIP3 4286 24.336 54.938 25.223 1.00 0.00 SOLV H ATOM 14888 H2 TIP3 4286 25.704 55.572 25.302 1.00 0.00 SOLV H ATOM 14889 OH2 TIP3 4287 33.039 50.853 20.685 1.00 0.00 SOLV O ATOM 14890 H1 TIP3 4287 33.135 50.119 21.307 1.00 0.00 SOLV H ATOM 14891 H2 TIP3 4287 32.078 50.839 20.542 1.00 0.00 SOLV H ATOM 14892 OH2 TIP3 4288 33.301 54.206 33.693 1.00 0.00 SOLV O ATOM 14893 H1 TIP3 4288 32.469 54.104 33.184 1.00 0.00 SOLV H ATOM 14894 H2 TIP3 4288 33.634 55.018 33.255 1.00 0.00 SOLV H ATOM 14895 OH2 TIP3 4289 37.436 55.116 20.900 1.00 0.00 SOLV O ATOM 14896 H1 TIP3 4289 38.024 55.877 20.748 1.00 0.00 SOLV H ATOM 14897 H2 TIP3 4289 36.613 55.599 21.123 1.00 0.00 SOLV H ATOM 14898 OH2 TIP3 4290 21.184 53.240 31.724 1.00 0.00 SOLV O ATOM 14899 H1 TIP3 4290 21.430 52.484 32.295 1.00 0.00 SOLV H ATOM 14900 H2 TIP3 4290 21.376 53.986 32.311 1.00 0.00 SOLV H ATOM 14901 OH2 TIP3 4291 26.927 51.882 19.168 1.00 0.00 SOLV O ATOM 14902 H1 TIP3 4291 26.967 50.994 18.763 1.00 0.00 SOLV H ATOM 14903 H2 TIP3 4291 26.447 51.684 19.999 1.00 0.00 SOLV H ATOM 14904 OH2 TIP3 4292 25.679 51.483 21.588 1.00 0.00 SOLV O ATOM 14905 H1 TIP3 4292 26.326 50.892 22.033 1.00 0.00 SOLV H ATOM 14906 H2 TIP3 4292 25.871 52.351 22.003 1.00 0.00 SOLV H ATOM 14907 OH2 TIP3 4293 22.001 48.732 22.086 1.00 0.00 SOLV O ATOM 14908 H1 TIP3 4293 21.309 49.201 22.599 1.00 0.00 SOLV H ATOM 14909 H2 TIP3 4293 22.437 49.492 21.650 1.00 0.00 SOLV H ATOM 14910 OH2 TIP3 4294 28.722 53.033 22.254 1.00 0.00 SOLV O ATOM 14911 H1 TIP3 4294 27.791 53.282 22.416 1.00 0.00 SOLV H ATOM 14912 H2 TIP3 4294 29.064 53.874 21.911 1.00 0.00 SOLV H ATOM 14913 OH2 TIP3 4295 26.192 54.046 22.488 1.00 0.00 SOLV O ATOM 14914 H1 TIP3 4295 26.167 54.899 22.001 1.00 0.00 SOLV H ATOM 14915 H2 TIP3 4295 25.842 54.322 23.365 1.00 0.00 SOLV H ATOM 14916 OH2 TIP3 4296 24.522 41.243 21.859 1.00 0.00 SOLV O ATOM 14917 H1 TIP3 4296 24.446 42.226 21.779 1.00 0.00 SOLV H ATOM 14918 H2 TIP3 4296 24.872 41.137 22.753 1.00 0.00 SOLV H ATOM 14919 OH2 TIP3 4297 23.023 50.966 20.754 1.00 0.00 SOLV O ATOM 14920 H1 TIP3 4297 23.826 51.348 21.168 1.00 0.00 SOLV H ATOM 14921 H2 TIP3 4297 23.472 50.391 20.093 1.00 0.00 SOLV H ATOM 14922 OH2 TIP3 4298 20.960 43.936 20.140 1.00 0.00 SOLV O ATOM 14923 H1 TIP3 4298 21.248 44.816 20.455 1.00 0.00 SOLV H ATOM 14924 H2 TIP3 4298 20.350 44.186 19.436 1.00 0.00 SOLV H ATOM 14925 OH2 TIP3 4299 34.822 54.660 29.958 1.00 0.00 SOLV O ATOM 14926 H1 TIP3 4299 34.636 55.335 29.265 1.00 0.00 SOLV H ATOM 14927 H2 TIP3 4299 35.798 54.774 30.033 1.00 0.00 SOLV H ATOM 14928 OH2 TIP3 4300 20.886 52.700 24.562 1.00 0.00 SOLV O ATOM 14929 H1 TIP3 4300 20.226 52.938 25.227 1.00 0.00 SOLV H ATOM 14930 H2 TIP3 4300 20.745 53.390 23.868 1.00 0.00 SOLV H ATOM 14931 OH2 TIP3 4301 20.388 55.661 36.447 1.00 0.00 SOLV O ATOM 14932 H1 TIP3 4301 21.070 55.465 37.136 1.00 0.00 SOLV H ATOM 14933 H2 TIP3 4301 20.155 54.760 36.178 1.00 0.00 SOLV H ATOM 14934 OH2 TIP3 4302 24.610 54.158 37.855 1.00 0.00 SOLV O ATOM 14935 H1 TIP3 4302 25.463 53.975 38.276 1.00 0.00 SOLV H ATOM 14936 H2 TIP3 4302 24.664 53.550 37.092 1.00 0.00 SOLV H ATOM 14937 OH2 TIP3 4303 29.004 53.676 19.096 1.00 0.00 SOLV O ATOM 14938 H1 TIP3 4303 28.288 53.003 19.183 1.00 0.00 SOLV H ATOM 14939 H2 TIP3 4303 29.759 53.113 18.848 1.00 0.00 SOLV H ATOM 14940 OH2 TIP3 4304 31.678 51.992 36.170 1.00 0.00 SOLV O ATOM 14941 H1 TIP3 4304 31.106 51.510 36.804 1.00 0.00 SOLV H ATOM 14942 H2 TIP3 4304 32.161 52.577 36.781 1.00 0.00 SOLV H ATOM 14943 OH2 TIP3 4305 33.431 53.339 19.458 1.00 0.00 SOLV O ATOM 14944 H1 TIP3 4305 33.540 52.524 19.985 1.00 0.00 SOLV H ATOM 14945 H2 TIP3 4305 34.203 53.316 18.860 1.00 0.00 SOLV H ATOM 14946 OH2 TIP3 4306 20.142 49.254 37.207 1.00 0.00 SOLV O ATOM 14947 H1 TIP3 4306 20.160 48.286 37.053 1.00 0.00 SOLV H ATOM 14948 H2 TIP3 4306 19.453 49.535 36.566 1.00 0.00 SOLV H ATOM 14949 OH2 TIP3 4307 24.425 49.148 19.359 1.00 0.00 SOLV O ATOM 14950 H1 TIP3 4307 24.798 48.691 20.146 1.00 0.00 SOLV H ATOM 14951 H2 TIP3 4307 25.252 49.253 18.838 1.00 0.00 SOLV H ATOM 14952 OH2 TIP3 4308 26.855 49.301 36.751 1.00 0.00 SOLV O ATOM 14953 H1 TIP3 4308 26.689 49.876 35.966 1.00 0.00 SOLV H ATOM 14954 H2 TIP3 4308 26.753 48.411 36.352 1.00 0.00 SOLV H ATOM 14955 OH2 TIP3 4309 30.229 50.564 19.112 1.00 0.00 SOLV O ATOM 14956 H1 TIP3 4309 29.928 50.513 20.047 1.00 0.00 SOLV H ATOM 14957 H2 TIP3 4309 30.069 49.638 18.827 1.00 0.00 SOLV H ATOM 14958 OH2 TIP3 4310 20.718 46.602 36.755 1.00 0.00 SOLV O ATOM 14959 H1 TIP3 4310 21.431 46.025 36.465 1.00 0.00 SOLV H ATOM 14960 H2 TIP3 4310 20.865 46.624 37.725 1.00 0.00 SOLV H ATOM 14961 OH2 TIP3 4311 25.678 47.724 21.409 1.00 0.00 SOLV O ATOM 14962 H1 TIP3 4311 25.059 47.366 22.086 1.00 0.00 SOLV H ATOM 14963 H2 TIP3 4311 26.031 46.900 21.019 1.00 0.00 SOLV H ATOM 14964 OH2 TIP3 4312 26.718 45.561 19.942 1.00 0.00 SOLV O ATOM 14965 H1 TIP3 4312 26.699 45.968 19.052 1.00 0.00 SOLV H ATOM 14966 H2 TIP3 4312 27.688 45.462 20.057 1.00 0.00 SOLV H ATOM 14967 OH2 TIP3 4313 35.826 47.882 19.477 1.00 0.00 SOLV O ATOM 14968 H1 TIP3 4313 35.822 47.619 18.536 1.00 0.00 SOLV H ATOM 14969 H2 TIP3 4313 35.671 48.847 19.383 1.00 0.00 SOLV H ATOM 14970 OH2 TIP3 4314 26.693 56.440 21.130 1.00 0.00 SOLV O ATOM 14971 H1 TIP3 4314 27.628 56.162 21.108 1.00 0.00 SOLV H ATOM 14972 H2 TIP3 4314 26.721 57.164 20.475 1.00 0.00 SOLV H ATOM 14973 OH2 TIP3 4315 20.298 51.134 20.387 1.00 0.00 SOLV O ATOM 14974 H1 TIP3 4315 21.272 51.174 20.518 1.00 0.00 SOLV H ATOM 14975 H2 TIP3 4315 20.220 50.370 19.776 1.00 0.00 SOLV H ATOM 14976 OH2 TIP3 4316 19.181 56.304 25.641 1.00 0.00 SOLV O ATOM 14977 H1 TIP3 4316 18.602 55.945 24.934 1.00 0.00 SOLV H ATOM 14978 H2 TIP3 4316 19.346 55.495 26.169 1.00 0.00 SOLV H ATOM 14979 OH2 TIP3 4317 19.709 54.141 27.297 1.00 0.00 SOLV O ATOM 14980 H1 TIP3 4317 19.289 53.436 27.821 1.00 0.00 SOLV H ATOM 14981 H2 TIP3 4317 20.220 54.588 27.997 1.00 0.00 SOLV H ATOM 14982 OH2 TIP3 4318 37.474 55.393 30.408 1.00 0.00 SOLV O ATOM 14983 H1 TIP3 4318 37.545 55.356 31.375 1.00 0.00 SOLV H ATOM 14984 H2 TIP3 4318 38.201 56.001 30.174 1.00 0.00 SOLV H ATOM 14985 OH2 TIP3 4319 36.779 54.795 33.188 1.00 0.00 SOLV O ATOM 14986 H1 TIP3 4319 36.322 53.964 32.942 1.00 0.00 SOLV H ATOM 14987 H2 TIP3 4319 37.452 54.449 33.797 1.00 0.00 SOLV H ATOM 14988 OH2 TIP3 4320 35.054 50.551 37.472 1.00 0.00 SOLV O ATOM 14989 H1 TIP3 4320 34.312 50.505 38.106 1.00 0.00 SOLV H ATOM 14990 H2 TIP3 4320 35.641 51.166 37.949 1.00 0.00 SOLV H ATOM 14991 OH2 TIP3 4321 36.820 48.632 23.377 1.00 0.00 SOLV O ATOM 14992 H1 TIP3 4321 37.581 49.243 23.400 1.00 0.00 SOLV H ATOM 14993 H2 TIP3 4321 36.285 48.907 24.134 1.00 0.00 SOLV H ATOM 14994 OH2 TIP3 4322 35.175 52.483 32.687 1.00 0.00 SOLV O ATOM 14995 H1 TIP3 4322 34.509 53.010 33.176 1.00 0.00 SOLV H ATOM 14996 H2 TIP3 4322 34.711 52.280 31.865 1.00 0.00 SOLV H ATOM 14997 OH2 TIP3 4323 37.387 46.747 21.464 1.00 0.00 SOLV O ATOM 14998 H1 TIP3 4323 36.793 47.014 20.727 1.00 0.00 SOLV H ATOM 14999 H2 TIP3 4323 37.121 47.400 22.147 1.00 0.00 SOLV H ATOM 15000 OH2 TIP3 4324 35.329 44.153 20.032 1.00 0.00 SOLV O ATOM 15001 H1 TIP3 4324 36.226 44.196 19.655 1.00 0.00 SOLV H ATOM 15002 H2 TIP3 4324 34.998 43.318 19.661 1.00 0.00 SOLV H ATOM 15003 OH2 TIP3 4325 34.710 41.505 19.239 1.00 0.00 SOLV O ATOM 15004 H1 TIP3 4325 35.571 41.319 19.675 1.00 0.00 SOLV H ATOM 15005 H2 TIP3 4325 34.529 40.647 18.841 1.00 0.00 SOLV H ATOM 15006 OH2 TIP3 4326 19.660 42.733 35.946 1.00 0.00 SOLV O ATOM 15007 H1 TIP3 4326 20.379 42.714 36.586 1.00 0.00 SOLV H ATOM 15008 H2 TIP3 4326 18.874 42.656 36.504 1.00 0.00 SOLV H ATOM 15009 OH2 TIP3 4327 35.622 40.065 24.013 1.00 0.00 SOLV O ATOM 15010 H1 TIP3 4327 35.908 39.782 24.893 1.00 0.00 SOLV H ATOM 15011 H2 TIP3 4327 34.953 39.404 23.796 1.00 0.00 SOLV H ATOM 15012 OH2 TIP3 4328 37.044 40.669 20.394 1.00 0.00 SOLV O ATOM 15013 H1 TIP3 4328 37.515 39.846 20.164 1.00 0.00 SOLV H ATOM 15014 H2 TIP3 4328 37.670 41.349 20.081 1.00 0.00 SOLV H ATOM 15015 OH2 TIP3 4329 19.324 40.030 23.404 1.00 0.00 SOLV O ATOM 15016 H1 TIP3 4329 18.680 40.432 24.001 1.00 0.00 SOLV H ATOM 15017 H2 TIP3 4329 19.640 40.821 22.915 1.00 0.00 SOLV H ATOM 15018 OH2 TIP3 4330 34.023 55.342 25.899 1.00 0.00 SOLV O ATOM 15019 H1 TIP3 4330 34.746 55.364 25.236 1.00 0.00 SOLV H ATOM 15020 H2 TIP3 4330 34.422 55.834 26.638 1.00 0.00 SOLV H ATOM 15021 OH2 TIP3 4331 21.460 52.614 36.264 1.00 0.00 SOLV O ATOM 15022 H1 TIP3 4331 20.546 52.619 35.922 1.00 0.00 SOLV H ATOM 15023 H2 TIP3 4331 21.334 52.322 37.174 1.00 0.00 SOLV H ATOM 15024 OH2 TIP3 4332 24.505 53.488 32.575 1.00 0.00 SOLV O ATOM 15025 H1 TIP3 4332 24.275 54.406 32.317 1.00 0.00 SOLV H ATOM 15026 H2 TIP3 4332 25.457 53.515 32.349 1.00 0.00 SOLV H ATOM 15027 OH2 TIP3 4333 28.567 54.596 35.684 1.00 0.00 SOLV O ATOM 15028 H1 TIP3 4333 28.704 54.358 36.613 1.00 0.00 SOLV H ATOM 15029 H2 TIP3 4333 29.386 55.098 35.484 1.00 0.00 SOLV H ATOM 15030 OH2 TIP3 4334 30.845 56.044 35.059 1.00 0.00 SOLV O ATOM 15031 H1 TIP3 4334 31.585 55.487 34.784 1.00 0.00 SOLV H ATOM 15032 H2 TIP3 4334 31.235 56.459 35.864 1.00 0.00 SOLV H ATOM 15033 OH2 TIP3 4335 21.588 56.406 32.710 1.00 0.00 SOLV O ATOM 15034 H1 TIP3 4335 20.782 56.864 32.381 1.00 0.00 SOLV H ATOM 15035 H2 TIP3 4335 21.716 56.866 33.555 1.00 0.00 SOLV H ATOM 15036 OH2 TIP3 4336 24.205 56.103 31.872 1.00 0.00 SOLV O ATOM 15037 H1 TIP3 4336 23.260 56.272 32.081 1.00 0.00 SOLV H ATOM 15038 H2 TIP3 4336 24.323 56.624 31.053 1.00 0.00 SOLV H ATOM 15039 OH2 TIP3 4337 28.948 55.824 30.970 1.00 0.00 SOLV O ATOM 15040 H1 TIP3 4337 28.403 56.267 30.295 1.00 0.00 SOLV H ATOM 15041 H2 TIP3 4337 29.066 56.544 31.628 1.00 0.00 SOLV H ATOM 15042 OH2 TIP3 4338 31.315 54.551 31.881 1.00 0.00 SOLV O ATOM 15043 H1 TIP3 4338 30.461 54.935 31.605 1.00 0.00 SOLV H ATOM 15044 H2 TIP3 4338 31.920 55.297 31.722 1.00 0.00 SOLV H ATOM 15045 OH2 TIP3 4339 33.673 56.273 31.958 1.00 0.00 SOLV O ATOM 15046 H1 TIP3 4339 33.771 57.228 31.741 1.00 0.00 SOLV H ATOM 15047 H2 TIP3 4339 34.161 55.853 31.220 1.00 0.00 SOLV H ATOM 15048 OH2 TIP3 4340 21.263 55.079 29.479 1.00 0.00 SOLV O ATOM 15049 H1 TIP3 4340 21.192 54.589 30.322 1.00 0.00 SOLV H ATOM 15050 H2 TIP3 4340 22.064 54.643 29.109 1.00 0.00 SOLV H ATOM 15051 OH2 TIP3 4341 23.439 53.816 28.394 1.00 0.00 SOLV O ATOM 15052 H1 TIP3 4341 23.628 52.867 28.435 1.00 0.00 SOLV H ATOM 15053 H2 TIP3 4341 24.295 54.174 28.718 1.00 0.00 SOLV H ATOM 15054 OH2 TIP3 4342 25.996 54.297 29.353 1.00 0.00 SOLV O ATOM 15055 H1 TIP3 4342 26.140 53.361 29.083 1.00 0.00 SOLV H ATOM 15056 H2 TIP3 4342 26.311 54.223 30.281 1.00 0.00 SOLV H ATOM 15057 OH2 TIP3 4343 20.650 38.279 21.701 1.00 0.00 SOLV O ATOM 15058 H1 TIP3 4343 21.145 38.975 21.227 1.00 0.00 SOLV H ATOM 15059 H2 TIP3 4343 20.165 38.815 22.367 1.00 0.00 SOLV H ATOM 15060 OH2 TIP3 4344 33.124 38.395 23.571 1.00 0.00 SOLV O ATOM 15061 H1 TIP3 4344 33.195 38.454 24.530 1.00 0.00 SOLV H ATOM 15062 H2 TIP3 4344 33.564 37.512 23.471 1.00 0.00 SOLV H ATOM 15063 OH2 TIP3 4345 20.535 54.655 22.719 1.00 0.00 SOLV O ATOM 15064 H1 TIP3 4345 19.741 54.571 22.159 1.00 0.00 SOLV H ATOM 15065 H2 TIP3 4345 20.713 55.610 22.592 1.00 0.00 SOLV H ATOM 15066 OH2 TIP3 4346 22.459 40.061 20.226 1.00 0.00 SOLV O ATOM 15067 H1 TIP3 4346 23.007 39.571 19.581 1.00 0.00 SOLV H ATOM 15068 H2 TIP3 4346 23.140 40.463 20.802 1.00 0.00 SOLV H ATOM 15069 OH2 TIP3 4347 29.280 55.526 21.085 1.00 0.00 SOLV O ATOM 15070 H1 TIP3 4347 30.242 55.681 20.980 1.00 0.00 SOLV H ATOM 15071 H2 TIP3 4347 29.125 54.979 20.279 1.00 0.00 SOLV H ATOM 15072 OH2 TIP3 4348 36.002 55.262 23.985 1.00 0.00 SOLV O ATOM 15073 H1 TIP3 4348 35.853 54.359 23.618 1.00 0.00 SOLV H ATOM 15074 H2 TIP3 4348 35.842 55.809 23.188 1.00 0.00 SOLV H ATOM 15075 OH2 TIP3 4349 22.259 55.241 19.523 1.00 0.00 SOLV O ATOM 15076 H1 TIP3 4349 22.124 55.178 20.478 1.00 0.00 SOLV H ATOM 15077 H2 TIP3 4349 23.069 54.687 19.402 1.00 0.00 SOLV H ATOM 15078 OH2 TIP3 4350 35.102 53.888 35.935 1.00 0.00 SOLV O ATOM 15079 H1 TIP3 4350 34.409 53.865 35.251 1.00 0.00 SOLV H ATOM 15080 H2 TIP3 4350 35.026 54.816 36.242 1.00 0.00 SOLV H ATOM 15081 OH2 TIP3 4351 49.790 47.877 25.746 1.00 0.00 SOLV O ATOM 15082 H1 TIP3 4351 49.582 48.832 25.655 1.00 0.00 SOLV H ATOM 15083 H2 TIP3 4351 49.111 47.501 25.164 1.00 0.00 SOLV H ATOM 15084 OH2 TIP3 4352 48.673 47.029 29.565 1.00 0.00 SOLV O ATOM 15085 H1 TIP3 4352 48.871 46.639 30.439 1.00 0.00 SOLV H ATOM 15086 H2 TIP3 4352 48.247 46.258 29.131 1.00 0.00 SOLV H ATOM 15087 OH2 TIP3 4353 40.439 46.861 31.500 1.00 0.00 SOLV O ATOM 15088 H1 TIP3 4353 40.572 45.913 31.715 1.00 0.00 SOLV H ATOM 15089 H2 TIP3 4353 41.328 47.101 31.205 1.00 0.00 SOLV H ATOM 15090 OH2 TIP3 4354 52.408 50.098 27.812 1.00 0.00 SOLV O ATOM 15091 H1 TIP3 4354 51.843 49.455 28.261 1.00 0.00 SOLV H ATOM 15092 H2 TIP3 4354 52.605 50.732 28.534 1.00 0.00 SOLV H ATOM 15093 OH2 TIP3 4355 41.786 51.213 29.569 1.00 0.00 SOLV O ATOM 15094 H1 TIP3 4355 41.460 50.348 29.263 1.00 0.00 SOLV H ATOM 15095 H2 TIP3 4355 42.755 51.072 29.473 1.00 0.00 SOLV H ATOM 15096 OH2 TIP3 4356 38.936 46.880 27.355 1.00 0.00 SOLV O ATOM 15097 H1 TIP3 4356 39.433 46.061 27.455 1.00 0.00 SOLV H ATOM 15098 H2 TIP3 4356 39.514 47.414 26.798 1.00 0.00 SOLV H ATOM 15099 OH2 TIP3 4357 49.653 55.259 28.298 1.00 0.00 SOLV O ATOM 15100 H1 TIP3 4357 50.106 54.544 27.807 1.00 0.00 SOLV H ATOM 15101 H2 TIP3 4357 48.794 54.856 28.491 1.00 0.00 SOLV H ATOM 15102 OH2 TIP3 4358 46.958 49.318 30.062 1.00 0.00 SOLV O ATOM 15103 H1 TIP3 4358 47.462 48.593 29.647 1.00 0.00 SOLV H ATOM 15104 H2 TIP3 4358 47.679 49.697 30.609 1.00 0.00 SOLV H ATOM 15105 OH2 TIP3 4359 50.174 43.500 30.088 1.00 0.00 SOLV O ATOM 15106 H1 TIP3 4359 50.266 42.546 29.919 1.00 0.00 SOLV H ATOM 15107 H2 TIP3 4359 49.965 43.818 29.188 1.00 0.00 SOLV H ATOM 15108 OH2 TIP3 4360 43.537 42.042 27.261 1.00 0.00 SOLV O ATOM 15109 H1 TIP3 4360 43.166 42.822 26.830 1.00 0.00 SOLV H ATOM 15110 H2 TIP3 4360 43.135 41.316 26.741 1.00 0.00 SOLV H ATOM 15111 OH2 TIP3 4361 41.937 41.253 31.869 1.00 0.00 SOLV O ATOM 15112 H1 TIP3 4361 41.693 41.511 30.958 1.00 0.00 SOLV H ATOM 15113 H2 TIP3 4361 41.229 40.629 32.088 1.00 0.00 SOLV H ATOM 15114 OH2 TIP3 4362 49.080 50.317 24.714 1.00 0.00 SOLV O ATOM 15115 H1 TIP3 4362 49.297 50.630 23.824 1.00 0.00 SOLV H ATOM 15116 H2 TIP3 4362 48.791 51.163 25.130 1.00 0.00 SOLV H ATOM 15117 OH2 TIP3 4363 44.827 48.614 31.580 1.00 0.00 SOLV O ATOM 15118 H1 TIP3 4363 44.334 49.387 31.936 1.00 0.00 SOLV H ATOM 15119 H2 TIP3 4363 45.535 49.051 31.051 1.00 0.00 SOLV H ATOM 15120 OH2 TIP3 4364 41.736 42.621 29.396 1.00 0.00 SOLV O ATOM 15121 H1 TIP3 4364 42.405 43.156 29.861 1.00 0.00 SOLV H ATOM 15122 H2 TIP3 4364 42.265 42.256 28.668 1.00 0.00 SOLV H ATOM 15123 OH2 TIP3 4365 43.157 50.592 32.691 1.00 0.00 SOLV O ATOM 15124 H1 TIP3 4365 43.048 51.536 32.449 1.00 0.00 SOLV H ATOM 15125 H2 TIP3 4365 42.277 50.394 33.077 1.00 0.00 SOLV H ATOM 15126 OH2 TIP3 4366 39.099 50.230 23.202 1.00 0.00 SOLV O ATOM 15127 H1 TIP3 4366 38.960 50.709 22.365 1.00 0.00 SOLV H ATOM 15128 H2 TIP3 4366 39.387 50.975 23.785 1.00 0.00 SOLV H ATOM 15129 OH2 TIP3 4367 52.999 51.882 29.868 1.00 0.00 SOLV O ATOM 15130 H1 TIP3 4367 52.062 51.946 30.175 1.00 0.00 SOLV H ATOM 15131 H2 TIP3 4367 53.262 52.817 29.905 1.00 0.00 SOLV H ATOM 15132 OH2 TIP3 4368 50.935 53.638 26.433 1.00 0.00 SOLV O ATOM 15133 H1 TIP3 4368 51.319 52.774 26.155 1.00 0.00 SOLV H ATOM 15134 H2 TIP3 4368 51.731 54.209 26.337 1.00 0.00 SOLV H ATOM 15135 OH2 TIP3 4369 52.173 51.397 25.383 1.00 0.00 SOLV O ATOM 15136 H1 TIP3 4369 52.172 50.721 24.690 1.00 0.00 SOLV H ATOM 15137 H2 TIP3 4369 52.305 50.859 26.194 1.00 0.00 SOLV H ATOM 15138 OH2 TIP3 4370 53.819 50.159 33.468 1.00 0.00 SOLV O ATOM 15139 H1 TIP3 4370 53.831 49.428 32.812 1.00 0.00 SOLV H ATOM 15140 H2 TIP3 4370 53.414 50.866 32.945 1.00 0.00 SOLV H ATOM 15141 OH2 TIP3 4371 48.303 46.933 23.580 1.00 0.00 SOLV O ATOM 15142 H1 TIP3 4371 47.855 47.761 23.310 1.00 0.00 SOLV H ATOM 15143 H2 TIP3 4371 49.052 46.910 22.947 1.00 0.00 SOLV H ATOM 15144 OH2 TIP3 4372 48.455 45.712 20.225 1.00 0.00 SOLV O ATOM 15145 H1 TIP3 4372 49.037 45.982 20.964 1.00 0.00 SOLV H ATOM 15146 H2 TIP3 4372 49.062 45.102 19.755 1.00 0.00 SOLV H ATOM 15147 OH2 TIP3 4373 55.824 46.552 32.042 1.00 0.00 SOLV O ATOM 15148 H1 TIP3 4373 54.964 46.999 31.922 1.00 0.00 SOLV H ATOM 15149 H2 TIP3 4373 56.288 46.835 31.229 1.00 0.00 SOLV H ATOM 15150 OH2 TIP3 4374 51.923 47.228 24.205 1.00 0.00 SOLV O ATOM 15151 H1 TIP3 4374 51.240 47.433 24.887 1.00 0.00 SOLV H ATOM 15152 H2 TIP3 4374 52.576 46.745 24.757 1.00 0.00 SOLV H ATOM 15153 OH2 TIP3 4375 51.815 45.310 33.637 1.00 0.00 SOLV O ATOM 15154 H1 TIP3 4375 51.670 45.996 34.307 1.00 0.00 SOLV H ATOM 15155 H2 TIP3 4375 51.326 45.664 32.879 1.00 0.00 SOLV H ATOM 15156 OH2 TIP3 4376 44.416 50.758 28.883 1.00 0.00 SOLV O ATOM 15157 H1 TIP3 4376 44.558 51.262 28.057 1.00 0.00 SOLV H ATOM 15158 H2 TIP3 4376 45.325 50.533 29.138 1.00 0.00 SOLV H ATOM 15159 OH2 TIP3 4377 43.582 46.779 30.044 1.00 0.00 SOLV O ATOM 15160 H1 TIP3 4377 44.381 46.463 29.599 1.00 0.00 SOLV H ATOM 15161 H2 TIP3 4377 43.966 47.486 30.615 1.00 0.00 SOLV H ATOM 15162 OH2 TIP3 4378 50.479 52.085 30.771 1.00 0.00 SOLV O ATOM 15163 H1 TIP3 4378 50.194 52.901 31.228 1.00 0.00 SOLV H ATOM 15164 H2 TIP3 4378 49.865 51.412 31.120 1.00 0.00 SOLV H ATOM 15165 OH2 TIP3 4379 44.953 51.056 34.708 1.00 0.00 SOLV O ATOM 15166 H1 TIP3 4379 44.342 51.709 35.114 1.00 0.00 SOLV H ATOM 15167 H2 TIP3 4379 44.414 50.787 33.935 1.00 0.00 SOLV H ATOM 15168 OH2 TIP3 4380 50.493 46.592 21.930 1.00 0.00 SOLV O ATOM 15169 H1 TIP3 4380 51.089 46.853 22.668 1.00 0.00 SOLV H ATOM 15170 H2 TIP3 4380 51.052 46.846 21.155 1.00 0.00 SOLV H ATOM 15171 OH2 TIP3 4381 41.898 47.183 34.049 1.00 0.00 SOLV O ATOM 15172 H1 TIP3 4381 41.713 47.952 34.609 1.00 0.00 SOLV H ATOM 15173 H2 TIP3 4381 41.265 47.314 33.329 1.00 0.00 SOLV H ATOM 15174 OH2 TIP3 4382 48.391 52.820 25.500 1.00 0.00 SOLV O ATOM 15175 H1 TIP3 4382 49.160 53.258 25.906 1.00 0.00 SOLV H ATOM 15176 H2 TIP3 4382 47.686 53.477 25.603 1.00 0.00 SOLV H ATOM 15177 OH2 TIP3 4383 42.989 52.905 35.360 1.00 0.00 SOLV O ATOM 15178 H1 TIP3 4383 42.910 53.267 34.456 1.00 0.00 SOLV H ATOM 15179 H2 TIP3 4383 42.060 52.660 35.563 1.00 0.00 SOLV H ATOM 15180 OH2 TIP3 4384 55.568 52.444 20.358 1.00 0.00 SOLV O ATOM 15181 H1 TIP3 4384 55.816 53.393 20.422 1.00 0.00 SOLV H ATOM 15182 H2 TIP3 4384 56.452 52.017 20.372 1.00 0.00 SOLV H ATOM 15183 OH2 TIP3 4385 38.487 52.459 29.319 1.00 0.00 SOLV O ATOM 15184 H1 TIP3 4385 39.350 52.077 29.527 1.00 0.00 SOLV H ATOM 15185 H2 TIP3 4385 38.292 52.934 30.142 1.00 0.00 SOLV H ATOM 15186 OH2 TIP3 4386 56.532 52.813 34.924 1.00 0.00 SOLV O ATOM 15187 H1 TIP3 4386 56.315 51.883 35.144 1.00 0.00 SOLV H ATOM 15188 H2 TIP3 4386 55.703 53.233 35.264 1.00 0.00 SOLV H ATOM 15189 OH2 TIP3 4387 47.403 52.146 34.189 1.00 0.00 SOLV O ATOM 15190 H1 TIP3 4387 47.362 53.011 34.654 1.00 0.00 SOLV H ATOM 15191 H2 TIP3 4387 46.497 51.807 34.372 1.00 0.00 SOLV H ATOM 15192 OH2 TIP3 4388 48.235 56.012 23.887 1.00 0.00 SOLV O ATOM 15193 H1 TIP3 4388 47.869 56.097 22.992 1.00 0.00 SOLV H ATOM 15194 H2 TIP3 4388 47.911 56.825 24.321 1.00 0.00 SOLV H ATOM 15195 OH2 TIP3 4389 41.422 54.978 26.041 1.00 0.00 SOLV O ATOM 15196 H1 TIP3 4389 41.789 54.593 26.872 1.00 0.00 SOLV H ATOM 15197 H2 TIP3 4389 40.654 54.401 25.924 1.00 0.00 SOLV H ATOM 15198 OH2 TIP3 4390 50.881 55.330 20.773 1.00 0.00 SOLV O ATOM 15199 H1 TIP3 4390 51.425 54.593 20.418 1.00 0.00 SOLV H ATOM 15200 H2 TIP3 4390 50.987 55.202 21.740 1.00 0.00 SOLV H ATOM 15201 OH2 TIP3 4391 50.745 55.133 23.541 1.00 0.00 SOLV O ATOM 15202 H1 TIP3 4391 49.805 55.380 23.711 1.00 0.00 SOLV H ATOM 15203 H2 TIP3 4391 50.899 54.514 24.271 1.00 0.00 SOLV H ATOM 15204 OH2 TIP3 4392 40.690 50.302 34.028 1.00 0.00 SOLV O ATOM 15205 H1 TIP3 4392 40.672 50.716 34.917 1.00 0.00 SOLV H ATOM 15206 H2 TIP3 4392 39.965 50.793 33.622 1.00 0.00 SOLV H ATOM 15207 OH2 TIP3 4393 52.061 47.123 19.789 1.00 0.00 SOLV O ATOM 15208 H1 TIP3 4393 51.946 47.250 18.828 1.00 0.00 SOLV H ATOM 15209 H2 TIP3 4393 53.008 47.357 19.885 1.00 0.00 SOLV H ATOM 15210 OH2 TIP3 4394 43.464 44.174 30.841 1.00 0.00 SOLV O ATOM 15211 H1 TIP3 4394 42.798 44.141 31.555 1.00 0.00 SOLV H ATOM 15212 H2 TIP3 4394 43.437 45.125 30.617 1.00 0.00 SOLV H ATOM 15213 OH2 TIP3 4395 43.335 44.700 25.611 1.00 0.00 SOLV O ATOM 15214 H1 TIP3 4395 42.422 44.355 25.744 1.00 0.00 SOLV H ATOM 15215 H2 TIP3 4395 43.664 44.018 24.995 1.00 0.00 SOLV H ATOM 15216 OH2 TIP3 4396 49.049 44.485 24.815 1.00 0.00 SOLV O ATOM 15217 H1 TIP3 4396 48.848 45.351 24.411 1.00 0.00 SOLV H ATOM 15218 H2 TIP3 4396 49.751 44.156 24.203 1.00 0.00 SOLV H ATOM 15219 OH2 TIP3 4397 50.156 43.975 27.301 1.00 0.00 SOLV O ATOM 15220 H1 TIP3 4397 49.702 44.366 26.523 1.00 0.00 SOLV H ATOM 15221 H2 TIP3 4397 50.127 43.037 27.067 1.00 0.00 SOLV H ATOM 15222 OH2 TIP3 4398 41.204 44.338 32.433 1.00 0.00 SOLV O ATOM 15223 H1 TIP3 4398 41.576 44.219 33.320 1.00 0.00 SOLV H ATOM 15224 H2 TIP3 4398 40.753 43.482 32.291 1.00 0.00 SOLV H ATOM 15225 OH2 TIP3 4399 44.587 41.699 19.316 1.00 0.00 SOLV O ATOM 15226 H1 TIP3 4399 44.175 41.428 20.162 1.00 0.00 SOLV H ATOM 15227 H2 TIP3 4399 43.913 42.345 19.012 1.00 0.00 SOLV H ATOM 15228 OH2 TIP3 4400 49.196 45.512 31.768 1.00 0.00 SOLV O ATOM 15229 H1 TIP3 4400 49.519 44.810 31.158 1.00 0.00 SOLV H ATOM 15230 H2 TIP3 4400 48.723 44.989 32.420 1.00 0.00 SOLV H ATOM 15231 OH2 TIP3 4401 46.290 41.969 26.945 1.00 0.00 SOLV O ATOM 15232 H1 TIP3 4401 45.340 42.007 27.187 1.00 0.00 SOLV H ATOM 15233 H2 TIP3 4401 46.549 41.122 27.339 1.00 0.00 SOLV H ATOM 15234 OH2 TIP3 4402 41.192 43.054 25.543 1.00 0.00 SOLV O ATOM 15235 H1 TIP3 4402 40.242 42.901 25.458 1.00 0.00 SOLV H ATOM 15236 H2 TIP3 4402 41.524 42.145 25.364 1.00 0.00 SOLV H ATOM 15237 OH2 TIP3 4403 44.612 43.914 23.354 1.00 0.00 SOLV O ATOM 15238 H1 TIP3 4403 45.323 43.248 23.294 1.00 0.00 SOLV H ATOM 15239 H2 TIP3 4403 44.222 43.943 22.448 1.00 0.00 SOLV H ATOM 15240 OH2 TIP3 4404 43.546 44.499 20.959 1.00 0.00 SOLV O ATOM 15241 H1 TIP3 4404 42.893 44.197 20.301 1.00 0.00 SOLV H ATOM 15242 H2 TIP3 4404 44.258 44.829 20.380 1.00 0.00 SOLV H ATOM 15243 OH2 TIP3 4405 53.883 56.563 36.618 1.00 0.00 SOLV O ATOM 15244 H1 TIP3 4405 54.070 57.077 35.814 1.00 0.00 SOLV H ATOM 15245 H2 TIP3 4405 54.614 56.834 37.204 1.00 0.00 SOLV H ATOM 15246 OH2 TIP3 4406 47.376 44.662 28.847 1.00 0.00 SOLV O ATOM 15247 H1 TIP3 4406 47.364 43.902 28.249 1.00 0.00 SOLV H ATOM 15248 H2 TIP3 4406 46.956 44.271 29.646 1.00 0.00 SOLV H ATOM 15249 OH2 TIP3 4407 42.203 40.587 25.201 1.00 0.00 SOLV O ATOM 15250 H1 TIP3 4407 41.718 39.855 25.664 1.00 0.00 SOLV H ATOM 15251 H2 TIP3 4407 42.517 40.091 24.437 1.00 0.00 SOLV H ATOM 15252 OH2 TIP3 4408 46.108 43.526 30.969 1.00 0.00 SOLV O ATOM 15253 H1 TIP3 4408 45.168 43.624 30.712 1.00 0.00 SOLV H ATOM 15254 H2 TIP3 4408 45.976 43.185 31.861 1.00 0.00 SOLV H ATOM 15255 OH2 TIP3 4409 46.524 48.992 22.858 1.00 0.00 SOLV O ATOM 15256 H1 TIP3 4409 45.755 48.507 22.514 1.00 0.00 SOLV H ATOM 15257 H2 TIP3 4409 46.137 49.569 23.535 1.00 0.00 SOLV H ATOM 15258 OH2 TIP3 4410 53.685 48.302 31.439 1.00 0.00 SOLV O ATOM 15259 H1 TIP3 4410 54.184 48.909 30.861 1.00 0.00 SOLV H ATOM 15260 H2 TIP3 4410 52.901 48.093 30.883 1.00 0.00 SOLV H ATOM 15261 OH2 TIP3 4411 48.023 49.406 34.058 1.00 0.00 SOLV O ATOM 15262 H1 TIP3 4411 48.071 49.124 34.980 1.00 0.00 SOLV H ATOM 15263 H2 TIP3 4411 47.779 50.347 34.143 1.00 0.00 SOLV H ATOM 15264 OH2 TIP3 4412 51.035 43.876 23.102 1.00 0.00 SOLV O ATOM 15265 H1 TIP3 4412 51.950 43.686 23.393 1.00 0.00 SOLV H ATOM 15266 H2 TIP3 4412 51.161 44.579 22.452 1.00 0.00 SOLV H ATOM 15267 OH2 TIP3 4413 41.699 48.524 28.695 1.00 0.00 SOLV O ATOM 15268 H1 TIP3 4413 42.569 48.827 28.404 1.00 0.00 SOLV H ATOM 15269 H2 TIP3 4413 41.934 47.703 29.148 1.00 0.00 SOLV H ATOM 15270 OH2 TIP3 4414 48.655 50.555 21.862 1.00 0.00 SOLV O ATOM 15271 H1 TIP3 4414 48.277 51.463 21.973 1.00 0.00 SOLV H ATOM 15272 H2 TIP3 4414 47.932 50.008 22.225 1.00 0.00 SOLV H ATOM 15273 OH2 TIP3 4415 45.802 46.448 36.033 1.00 0.00 SOLV O ATOM 15274 H1 TIP3 4415 45.059 46.010 35.572 1.00 0.00 SOLV H ATOM 15275 H2 TIP3 4415 46.547 46.176 35.484 1.00 0.00 SOLV H ATOM 15276 OH2 TIP3 4416 50.209 51.736 34.083 1.00 0.00 SOLV O ATOM 15277 H1 TIP3 4416 49.263 51.917 33.931 1.00 0.00 SOLV H ATOM 15278 H2 TIP3 4416 50.305 52.083 34.996 1.00 0.00 SOLV H ATOM 15279 OH2 TIP3 4417 55.722 44.242 22.451 1.00 0.00 SOLV O ATOM 15280 H1 TIP3 4417 55.271 44.096 21.584 1.00 0.00 SOLV H ATOM 15281 H2 TIP3 4417 55.935 45.193 22.322 1.00 0.00 SOLV H ATOM 15282 OH2 TIP3 4418 56.057 49.994 35.128 1.00 0.00 SOLV O ATOM 15283 H1 TIP3 4418 55.152 50.150 34.771 1.00 0.00 SOLV H ATOM 15284 H2 TIP3 4418 56.538 49.803 34.290 1.00 0.00 SOLV H ATOM 15285 OH2 TIP3 4419 54.400 52.788 22.895 1.00 0.00 SOLV O ATOM 15286 H1 TIP3 4419 53.775 52.097 23.152 1.00 0.00 SOLV H ATOM 15287 H2 TIP3 4419 54.668 52.520 21.997 1.00 0.00 SOLV H ATOM 15288 OH2 TIP3 4420 51.520 47.671 29.747 1.00 0.00 SOLV O ATOM 15289 H1 TIP3 4420 50.560 47.621 29.576 1.00 0.00 SOLV H ATOM 15290 H2 TIP3 4420 51.838 46.927 29.197 1.00 0.00 SOLV H ATOM 15291 OH2 TIP3 4421 44.320 51.865 26.200 1.00 0.00 SOLV O ATOM 15292 H1 TIP3 4421 44.841 52.673 26.379 1.00 0.00 SOLV H ATOM 15293 H2 TIP3 4421 43.483 52.249 25.918 1.00 0.00 SOLV H ATOM 15294 OH2 TIP3 4422 39.879 47.149 20.302 1.00 0.00 SOLV O ATOM 15295 H1 TIP3 4422 40.323 47.582 21.057 1.00 0.00 SOLV H ATOM 15296 H2 TIP3 4422 39.075 46.788 20.737 1.00 0.00 SOLV H ATOM 15297 OH2 TIP3 4423 45.938 53.721 32.134 1.00 0.00 SOLV O ATOM 15298 H1 TIP3 4423 46.448 54.401 31.653 1.00 0.00 SOLV H ATOM 15299 H2 TIP3 4423 46.641 53.245 32.598 1.00 0.00 SOLV H ATOM 15300 OH2 TIP3 4424 43.842 54.680 24.635 1.00 0.00 SOLV O ATOM 15301 H1 TIP3 4424 42.997 54.955 25.031 1.00 0.00 SOLV H ATOM 15302 H2 TIP3 4424 44.429 54.712 25.424 1.00 0.00 SOLV H ATOM 15303 OH2 TIP3 4425 49.190 49.684 31.615 1.00 0.00 SOLV O ATOM 15304 H1 TIP3 4425 48.809 49.525 32.507 1.00 0.00 SOLV H ATOM 15305 H2 TIP3 4425 49.942 49.079 31.616 1.00 0.00 SOLV H ATOM 15306 OH2 TIP3 4426 51.976 50.897 20.784 1.00 0.00 SOLV O ATOM 15307 H1 TIP3 4426 52.234 50.404 21.596 1.00 0.00 SOLV H ATOM 15308 H2 TIP3 4426 51.021 50.736 20.768 1.00 0.00 SOLV H ATOM 15309 OH2 TIP3 4427 52.062 54.373 34.033 1.00 0.00 SOLV O ATOM 15310 H1 TIP3 4427 51.453 53.775 33.563 1.00 0.00 SOLV H ATOM 15311 H2 TIP3 4427 52.297 55.001 33.317 1.00 0.00 SOLV H ATOM 15312 OH2 TIP3 4428 56.231 55.097 20.853 1.00 0.00 SOLV O ATOM 15313 H1 TIP3 4428 56.791 55.840 20.572 1.00 0.00 SOLV H ATOM 15314 H2 TIP3 4428 55.435 55.597 21.134 1.00 0.00 SOLV H ATOM 15315 OH2 TIP3 4429 52.820 49.553 23.048 1.00 0.00 SOLV O ATOM 15316 H1 TIP3 4429 52.434 48.741 23.440 1.00 0.00 SOLV H ATOM 15317 H2 TIP3 4429 53.773 49.317 23.090 1.00 0.00 SOLV H ATOM 15318 OH2 TIP3 4430 39.872 53.035 31.997 1.00 0.00 SOLV O ATOM 15319 H1 TIP3 4430 40.774 52.815 31.734 1.00 0.00 SOLV H ATOM 15320 H2 TIP3 4430 39.959 53.968 32.247 1.00 0.00 SOLV H ATOM 15321 OH2 TIP3 4431 45.845 51.862 19.138 1.00 0.00 SOLV O ATOM 15322 H1 TIP3 4431 45.919 50.947 18.816 1.00 0.00 SOLV H ATOM 15323 H2 TIP3 4431 45.366 51.730 19.980 1.00 0.00 SOLV H ATOM 15324 OH2 TIP3 4432 44.527 51.575 21.557 1.00 0.00 SOLV O ATOM 15325 H1 TIP3 4432 44.905 51.275 22.388 1.00 0.00 SOLV H ATOM 15326 H2 TIP3 4432 44.588 52.551 21.703 1.00 0.00 SOLV H ATOM 15327 OH2 TIP3 4433 41.195 48.714 22.198 1.00 0.00 SOLV O ATOM 15328 H1 TIP3 4433 40.465 49.036 22.764 1.00 0.00 SOLV H ATOM 15329 H2 TIP3 4433 41.419 49.545 21.738 1.00 0.00 SOLV H ATOM 15330 OH2 TIP3 4434 47.491 52.974 22.141 1.00 0.00 SOLV O ATOM 15331 H1 TIP3 4434 46.580 53.302 22.285 1.00 0.00 SOLV H ATOM 15332 H2 TIP3 4434 47.945 53.824 22.034 1.00 0.00 SOLV H ATOM 15333 OH2 TIP3 4435 46.974 42.758 24.438 1.00 0.00 SOLV O ATOM 15334 H1 TIP3 4435 47.754 43.333 24.590 1.00 0.00 SOLV H ATOM 15335 H2 TIP3 4435 46.765 42.492 25.365 1.00 0.00 SOLV H ATOM 15336 OH2 TIP3 4436 44.996 54.097 22.279 1.00 0.00 SOLV O ATOM 15337 H1 TIP3 4436 45.016 54.981 21.843 1.00 0.00 SOLV H ATOM 15338 H2 TIP3 4436 44.575 54.339 23.142 1.00 0.00 SOLV H ATOM 15339 OH2 TIP3 4437 43.512 41.126 21.766 1.00 0.00 SOLV O ATOM 15340 H1 TIP3 4437 43.245 41.740 22.459 1.00 0.00 SOLV H ATOM 15341 H2 TIP3 4437 44.386 40.823 22.110 1.00 0.00 SOLV H ATOM 15342 OH2 TIP3 4438 52.287 45.340 28.318 1.00 0.00 SOLV O ATOM 15343 H1 TIP3 4438 51.456 44.967 27.947 1.00 0.00 SOLV H ATOM 15344 H2 TIP3 4438 52.528 44.657 28.955 1.00 0.00 SOLV H ATOM 15345 OH2 TIP3 4439 41.790 51.040 20.783 1.00 0.00 SOLV O ATOM 15346 H1 TIP3 4439 42.503 51.573 21.175 1.00 0.00 SOLV H ATOM 15347 H2 TIP3 4439 42.301 50.568 20.091 1.00 0.00 SOLV H ATOM 15348 OH2 TIP3 4440 53.732 54.771 29.909 1.00 0.00 SOLV O ATOM 15349 H1 TIP3 4440 53.133 55.275 29.324 1.00 0.00 SOLV H ATOM 15350 H2 TIP3 4440 54.573 55.032 29.517 1.00 0.00 SOLV H ATOM 15351 OH2 TIP3 4441 39.605 52.533 24.510 1.00 0.00 SOLV O ATOM 15352 H1 TIP3 4441 39.147 52.887 25.284 1.00 0.00 SOLV H ATOM 15353 H2 TIP3 4441 39.562 53.286 23.873 1.00 0.00 SOLV H ATOM 15354 OH2 TIP3 4442 39.206 55.651 36.427 1.00 0.00 SOLV O ATOM 15355 H1 TIP3 4442 39.889 55.394 37.088 1.00 0.00 SOLV H ATOM 15356 H2 TIP3 4442 38.824 54.783 36.190 1.00 0.00 SOLV H ATOM 15357 OH2 TIP3 4443 43.489 54.077 37.815 1.00 0.00 SOLV O ATOM 15358 H1 TIP3 4443 44.344 53.718 38.083 1.00 0.00 SOLV H ATOM 15359 H2 TIP3 4443 43.367 53.643 36.945 1.00 0.00 SOLV H ATOM 15360 OH2 TIP3 4444 47.886 53.700 19.037 1.00 0.00 SOLV O ATOM 15361 H1 TIP3 4444 47.190 53.013 19.154 1.00 0.00 SOLV H ATOM 15362 H2 TIP3 4444 48.655 53.155 18.787 1.00 0.00 SOLV H ATOM 15363 OH2 TIP3 4445 50.216 52.536 36.693 1.00 0.00 SOLV O ATOM 15364 H1 TIP3 4445 49.927 51.725 37.173 1.00 0.00 SOLV H ATOM 15365 H2 TIP3 4445 50.934 52.869 37.264 1.00 0.00 SOLV H ATOM 15366 OH2 TIP3 4446 52.280 53.334 19.457 1.00 0.00 SOLV O ATOM 15367 H1 TIP3 4446 52.392 52.508 19.970 1.00 0.00 SOLV H ATOM 15368 H2 TIP3 4446 53.041 53.316 18.845 1.00 0.00 SOLV H ATOM 15369 OH2 TIP3 4447 43.234 49.371 19.216 1.00 0.00 SOLV O ATOM 15370 H1 TIP3 4447 43.345 48.723 19.921 1.00 0.00 SOLV H ATOM 15371 H2 TIP3 4447 44.130 49.381 18.811 1.00 0.00 SOLV H ATOM 15372 OH2 TIP3 4448 45.574 49.313 36.746 1.00 0.00 SOLV O ATOM 15373 H1 TIP3 4448 45.390 49.803 35.915 1.00 0.00 SOLV H ATOM 15374 H2 TIP3 4448 45.700 48.397 36.434 1.00 0.00 SOLV H ATOM 15375 OH2 TIP3 4449 49.070 50.542 19.179 1.00 0.00 SOLV O ATOM 15376 H1 TIP3 4449 48.842 50.504 20.132 1.00 0.00 SOLV H ATOM 15377 H2 TIP3 4449 48.935 49.608 18.914 1.00 0.00 SOLV H ATOM 15378 OH2 TIP3 4450 51.305 49.209 34.225 1.00 0.00 SOLV O ATOM 15379 H1 TIP3 4450 52.196 49.580 34.101 1.00 0.00 SOLV H ATOM 15380 H2 TIP3 4450 50.762 50.019 34.110 1.00 0.00 SOLV H ATOM 15381 OH2 TIP3 4451 44.531 47.011 22.230 1.00 0.00 SOLV O ATOM 15382 H1 TIP3 4451 43.616 46.949 21.899 1.00 0.00 SOLV H ATOM 15383 H2 TIP3 4451 45.021 46.621 21.471 1.00 0.00 SOLV H ATOM 15384 OH2 TIP3 4452 44.001 45.355 34.127 1.00 0.00 SOLV O ATOM 15385 H1 TIP3 4452 43.288 46.030 34.070 1.00 0.00 SOLV H ATOM 15386 H2 TIP3 4452 44.697 45.738 33.546 1.00 0.00 SOLV H ATOM 15387 OH2 TIP3 4453 45.718 45.939 19.907 1.00 0.00 SOLV O ATOM 15388 H1 TIP3 4453 45.773 46.243 18.979 1.00 0.00 SOLV H ATOM 15389 H2 TIP3 4453 46.662 45.709 20.065 1.00 0.00 SOLV H ATOM 15390 OH2 TIP3 4454 48.925 47.890 37.303 1.00 0.00 SOLV O ATOM 15391 H1 TIP3 4454 49.754 47.493 37.011 1.00 0.00 SOLV H ATOM 15392 H2 TIP3 4454 48.541 47.178 37.851 1.00 0.00 SOLV H ATOM 15393 OH2 TIP3 4455 54.690 47.869 19.507 1.00 0.00 SOLV O ATOM 15394 H1 TIP3 4455 54.727 47.684 18.547 1.00 0.00 SOLV H ATOM 15395 H2 TIP3 4455 54.563 48.846 19.467 1.00 0.00 SOLV H ATOM 15396 OH2 TIP3 4456 43.849 42.741 34.970 1.00 0.00 SOLV O ATOM 15397 H1 TIP3 4456 44.215 42.208 34.235 1.00 0.00 SOLV H ATOM 15398 H2 TIP3 4456 43.982 43.653 34.630 1.00 0.00 SOLV H ATOM 15399 OH2 TIP3 4457 44.593 41.404 32.624 1.00 0.00 SOLV O ATOM 15400 H1 TIP3 4457 44.952 40.739 32.017 1.00 0.00 SOLV H ATOM 15401 H2 TIP3 4457 43.636 41.360 32.401 1.00 0.00 SOLV H ATOM 15402 OH2 TIP3 4458 46.078 46.452 32.733 1.00 0.00 SOLV O ATOM 15403 H1 TIP3 4458 46.968 46.539 32.375 1.00 0.00 SOLV H ATOM 15404 H2 TIP3 4458 45.649 47.260 32.376 1.00 0.00 SOLV H ATOM 15405 OH2 TIP3 4459 51.859 47.220 35.949 1.00 0.00 SOLV O ATOM 15406 H1 TIP3 4459 51.503 47.945 35.380 1.00 0.00 SOLV H ATOM 15407 H2 TIP3 4459 52.819 47.341 35.777 1.00 0.00 SOLV H ATOM 15408 OH2 TIP3 4460 42.654 43.614 37.259 1.00 0.00 SOLV O ATOM 15409 H1 TIP3 4460 41.767 43.456 36.930 1.00 0.00 SOLV H ATOM 15410 H2 TIP3 4460 43.207 43.247 36.536 1.00 0.00 SOLV H ATOM 15411 OH2 TIP3 4461 45.547 56.434 20.994 1.00 0.00 SOLV O ATOM 15412 H1 TIP3 4461 46.489 56.177 21.016 1.00 0.00 SOLV H ATOM 15413 H2 TIP3 4461 45.595 57.207 20.400 1.00 0.00 SOLV H ATOM 15414 OH2 TIP3 4462 39.097 51.125 20.406 1.00 0.00 SOLV O ATOM 15415 H1 TIP3 4462 40.066 51.178 20.561 1.00 0.00 SOLV H ATOM 15416 H2 TIP3 4462 39.056 50.405 19.742 1.00 0.00 SOLV H ATOM 15417 OH2 TIP3 4463 37.994 56.293 25.590 1.00 0.00 SOLV O ATOM 15418 H1 TIP3 4463 37.389 55.911 24.919 1.00 0.00 SOLV H ATOM 15419 H2 TIP3 4463 38.201 55.501 26.127 1.00 0.00 SOLV H ATOM 15420 OH2 TIP3 4464 38.735 54.180 27.221 1.00 0.00 SOLV O ATOM 15421 H1 TIP3 4464 38.488 53.513 27.905 1.00 0.00 SOLV H ATOM 15422 H2 TIP3 4464 39.172 54.833 27.790 1.00 0.00 SOLV H ATOM 15423 OH2 TIP3 4465 54.080 50.562 37.945 1.00 0.00 SOLV O ATOM 15424 H1 TIP3 4465 53.249 50.650 38.456 1.00 0.00 SOLV H ATOM 15425 H2 TIP3 4465 54.611 51.297 38.316 1.00 0.00 SOLV H ATOM 15426 OH2 TIP3 4466 55.473 48.789 23.339 1.00 0.00 SOLV O ATOM 15427 H1 TIP3 4466 56.262 49.368 23.339 1.00 0.00 SOLV H ATOM 15428 H2 TIP3 4466 55.663 48.201 24.105 1.00 0.00 SOLV H ATOM 15429 OH2 TIP3 4467 55.961 46.887 25.274 1.00 0.00 SOLV O ATOM 15430 H1 TIP3 4467 55.101 46.516 25.571 1.00 0.00 SOLV H ATOM 15431 H2 TIP3 4467 56.469 46.939 26.112 1.00 0.00 SOLV H ATOM 15432 OH2 TIP3 4468 55.830 49.737 30.354 1.00 0.00 SOLV O ATOM 15433 H1 TIP3 4468 56.409 49.016 30.020 1.00 0.00 SOLV H ATOM 15434 H2 TIP3 4468 55.511 50.146 29.536 1.00 0.00 SOLV H ATOM 15435 OH2 TIP3 4469 56.170 46.813 21.554 1.00 0.00 SOLV O ATOM 15436 H1 TIP3 4469 55.656 47.080 20.758 1.00 0.00 SOLV H ATOM 15437 H2 TIP3 4469 55.859 47.496 22.184 1.00 0.00 SOLV H ATOM 15438 OH2 TIP3 4470 54.588 44.051 19.987 1.00 0.00 SOLV O ATOM 15439 H1 TIP3 4470 54.454 44.577 19.191 1.00 0.00 SOLV H ATOM 15440 H2 TIP3 4470 54.279 43.173 19.676 1.00 0.00 SOLV H ATOM 15441 OH2 TIP3 4471 53.545 45.681 25.819 1.00 0.00 SOLV O ATOM 15442 H1 TIP3 4471 53.475 44.807 25.386 1.00 0.00 SOLV H ATOM 15443 H2 TIP3 4471 53.166 45.519 26.708 1.00 0.00 SOLV H ATOM 15444 OH2 TIP3 4472 54.599 47.485 35.574 1.00 0.00 SOLV O ATOM 15445 H1 TIP3 4472 55.113 46.665 35.399 1.00 0.00 SOLV H ATOM 15446 H2 TIP3 4472 55.159 48.172 35.177 1.00 0.00 SOLV H ATOM 15447 OH2 TIP3 4473 55.826 45.025 35.651 1.00 0.00 SOLV O ATOM 15448 H1 TIP3 4473 55.235 44.494 36.186 1.00 0.00 SOLV H ATOM 15449 H2 TIP3 4473 56.612 44.441 35.667 1.00 0.00 SOLV H ATOM 15450 OH2 TIP3 4474 53.839 41.564 19.176 1.00 0.00 SOLV O ATOM 15451 H1 TIP3 4474 54.616 41.230 19.682 1.00 0.00 SOLV H ATOM 15452 H2 TIP3 4474 53.215 40.851 19.325 1.00 0.00 SOLV H ATOM 15453 OH2 TIP3 4475 53.590 43.394 24.076 1.00 0.00 SOLV O ATOM 15454 H1 TIP3 4475 53.826 42.531 24.438 1.00 0.00 SOLV H ATOM 15455 H2 TIP3 4475 54.374 43.607 23.525 1.00 0.00 SOLV H ATOM 15456 OH2 TIP3 4476 55.799 40.513 20.672 1.00 0.00 SOLV O ATOM 15457 H1 TIP3 4476 56.188 39.726 20.249 1.00 0.00 SOLV H ATOM 15458 H2 TIP3 4476 56.572 40.951 21.082 1.00 0.00 SOLV H ATOM 15459 OH2 TIP3 4477 38.213 40.461 23.251 1.00 0.00 SOLV O ATOM 15460 H1 TIP3 4477 37.266 40.342 23.469 1.00 0.00 SOLV H ATOM 15461 H2 TIP3 4477 38.203 41.342 22.859 1.00 0.00 SOLV H ATOM 15462 OH2 TIP3 4478 52.983 55.368 25.934 1.00 0.00 SOLV O ATOM 15463 H1 TIP3 4478 53.651 55.339 25.218 1.00 0.00 SOLV H ATOM 15464 H2 TIP3 4478 53.399 55.978 26.561 1.00 0.00 SOLV H ATOM 15465 OH2 TIP3 4479 40.438 52.107 36.052 1.00 0.00 SOLV O ATOM 15466 H1 TIP3 4479 39.557 52.526 35.955 1.00 0.00 SOLV H ATOM 15467 H2 TIP3 4479 40.334 51.635 36.893 1.00 0.00 SOLV H ATOM 15468 OH2 TIP3 4480 43.243 53.453 32.557 1.00 0.00 SOLV O ATOM 15469 H1 TIP3 4480 43.069 54.377 32.290 1.00 0.00 SOLV H ATOM 15470 H2 TIP3 4480 44.216 53.447 32.394 1.00 0.00 SOLV H ATOM 15471 OH2 TIP3 4481 47.415 54.635 35.434 1.00 0.00 SOLV O ATOM 15472 H1 TIP3 4481 47.561 54.373 36.368 1.00 0.00 SOLV H ATOM 15473 H2 TIP3 4481 48.247 55.118 35.248 1.00 0.00 SOLV H ATOM 15474 OH2 TIP3 4482 49.745 56.039 35.000 1.00 0.00 SOLV O ATOM 15475 H1 TIP3 4482 50.464 55.472 34.670 1.00 0.00 SOLV H ATOM 15476 H2 TIP3 4482 50.157 56.390 35.819 1.00 0.00 SOLV H ATOM 15477 OH2 TIP3 4483 40.428 56.166 32.759 1.00 0.00 SOLV O ATOM 15478 H1 TIP3 4483 40.260 56.564 31.867 1.00 0.00 SOLV H ATOM 15479 H2 TIP3 4483 39.981 56.834 33.302 1.00 0.00 SOLV H ATOM 15480 OH2 TIP3 4484 43.009 56.132 31.816 1.00 0.00 SOLV O ATOM 15481 H1 TIP3 4484 42.123 56.207 32.235 1.00 0.00 SOLV H ATOM 15482 H2 TIP3 4484 42.751 56.200 30.883 1.00 0.00 SOLV H ATOM 15483 OH2 TIP3 4485 47.683 55.756 31.106 1.00 0.00 SOLV O ATOM 15484 H1 TIP3 4485 47.161 56.171 30.385 1.00 0.00 SOLV H ATOM 15485 H2 TIP3 4485 47.808 56.518 31.702 1.00 0.00 SOLV H ATOM 15486 OH2 TIP3 4486 50.058 54.585 31.897 1.00 0.00 SOLV O ATOM 15487 H1 TIP3 4486 49.203 54.923 31.552 1.00 0.00 SOLV H ATOM 15488 H2 TIP3 4486 50.617 55.367 31.814 1.00 0.00 SOLV H ATOM 15489 OH2 TIP3 4487 52.777 56.229 32.112 1.00 0.00 SOLV O ATOM 15490 H1 TIP3 4487 52.784 57.160 31.801 1.00 0.00 SOLV H ATOM 15491 H2 TIP3 4487 53.127 55.755 31.327 1.00 0.00 SOLV H ATOM 15492 OH2 TIP3 4488 42.319 53.561 28.166 1.00 0.00 SOLV O ATOM 15493 H1 TIP3 4488 42.119 52.824 28.774 1.00 0.00 SOLV H ATOM 15494 H2 TIP3 4488 43.259 53.744 28.331 1.00 0.00 SOLV H ATOM 15495 OH2 TIP3 4489 41.143 38.318 26.240 1.00 0.00 SOLV O ATOM 15496 H1 TIP3 4489 40.238 37.990 26.289 1.00 0.00 SOLV H ATOM 15497 H2 TIP3 4489 41.559 37.723 26.927 1.00 0.00 SOLV H ATOM 15498 OH2 TIP3 4490 39.001 38.471 21.492 1.00 0.00 SOLV O ATOM 15499 H1 TIP3 4490 39.856 38.839 21.174 1.00 0.00 SOLV H ATOM 15500 H2 TIP3 4490 38.803 39.105 22.215 1.00 0.00 SOLV H ATOM 15501 OH2 TIP3 4491 39.433 54.612 22.781 1.00 0.00 SOLV O ATOM 15502 H1 TIP3 4491 38.648 54.593 22.203 1.00 0.00 SOLV H ATOM 15503 H2 TIP3 4491 39.639 55.562 22.757 1.00 0.00 SOLV H ATOM 15504 OH2 TIP3 4492 41.373 39.657 20.674 1.00 0.00 SOLV O ATOM 15505 H1 TIP3 4492 41.733 39.441 19.798 1.00 0.00 SOLV H ATOM 15506 H2 TIP3 4492 42.119 40.138 21.079 1.00 0.00 SOLV H ATOM 15507 OH2 TIP3 4493 45.881 40.777 22.964 1.00 0.00 SOLV O ATOM 15508 H1 TIP3 4493 46.369 39.948 22.979 1.00 0.00 SOLV H ATOM 15509 H2 TIP3 4493 46.461 41.396 23.460 1.00 0.00 SOLV H ATOM 15510 OH2 TIP3 4494 48.136 55.542 21.042 1.00 0.00 SOLV O ATOM 15511 H1 TIP3 4494 49.101 55.686 20.959 1.00 0.00 SOLV H ATOM 15512 H2 TIP3 4494 47.994 54.957 20.263 1.00 0.00 SOLV H ATOM 15513 OH2 TIP3 4495 54.941 55.229 23.978 1.00 0.00 SOLV O ATOM 15514 H1 TIP3 4495 54.756 54.327 23.622 1.00 0.00 SOLV H ATOM 15515 H2 TIP3 4495 54.723 55.780 23.197 1.00 0.00 SOLV H ATOM 15516 OH2 TIP3 4496 40.642 38.886 35.151 1.00 0.00 SOLV O ATOM 15517 H1 TIP3 4496 39.718 38.868 35.413 1.00 0.00 SOLV H ATOM 15518 H2 TIP3 4496 41.129 38.792 35.980 1.00 0.00 SOLV H ATOM 15519 OH2 TIP3 4497 41.091 55.252 19.520 1.00 0.00 SOLV O ATOM 15520 H1 TIP3 4497 40.939 55.287 20.475 1.00 0.00 SOLV H ATOM 15521 H2 TIP3 4497 41.901 54.690 19.462 1.00 0.00 SOLV H ATOM 15522 OH2 TIP3 4498 54.099 53.905 35.869 1.00 0.00 SOLV O ATOM 15523 H1 TIP3 4498 53.338 53.905 35.247 1.00 0.00 SOLV H ATOM 15524 H2 TIP3 4498 53.987 54.797 36.257 1.00 0.00 SOLV H ATOM 15525 OH2 TIP3 4499 68.316 47.458 25.518 1.00 0.00 SOLV O ATOM 15526 H1 TIP3 4499 68.665 48.289 25.879 1.00 0.00 SOLV H ATOM 15527 H2 TIP3 4499 67.498 47.800 25.141 1.00 0.00 SOLV H ATOM 15528 OH2 TIP3 4500 67.077 47.236 29.528 1.00 0.00 SOLV O ATOM 15529 H1 TIP3 4500 67.915 46.783 29.740 1.00 0.00 SOLV H ATOM 15530 H2 TIP3 4500 66.777 46.728 28.762 1.00 0.00 SOLV H ATOM 15531 OH2 TIP3 4501 59.588 46.630 31.086 1.00 0.00 SOLV O ATOM 15532 H1 TIP3 4501 59.635 45.821 31.628 1.00 0.00 SOLV H ATOM 15533 H2 TIP3 4501 60.518 46.898 31.061 1.00 0.00 SOLV H ATOM 15534 OH2 TIP3 4502 60.776 51.246 29.305 1.00 0.00 SOLV O ATOM 15535 H1 TIP3 4502 60.475 50.353 29.049 1.00 0.00 SOLV H ATOM 15536 H2 TIP3 4502 61.748 51.085 29.305 1.00 0.00 SOLV H ATOM 15537 OH2 TIP3 4503 57.561 44.606 24.554 1.00 0.00 SOLV O ATOM 15538 H1 TIP3 4503 57.120 45.424 24.840 1.00 0.00 SOLV H ATOM 15539 H2 TIP3 4503 56.908 44.263 23.922 1.00 0.00 SOLV H ATOM 15540 OH2 TIP3 4504 57.856 46.832 27.283 1.00 0.00 SOLV O ATOM 15541 H1 TIP3 4504 58.135 45.911 27.493 1.00 0.00 SOLV H ATOM 15542 H2 TIP3 4504 58.702 47.247 27.061 1.00 0.00 SOLV H ATOM 15543 OH2 TIP3 4505 67.553 55.128 27.723 1.00 0.00 SOLV O ATOM 15544 H1 TIP3 4505 68.508 54.945 27.663 1.00 0.00 SOLV H ATOM 15545 H2 TIP3 4505 67.421 55.414 28.647 1.00 0.00 SOLV H ATOM 15546 OH2 TIP3 4506 65.609 49.512 29.957 1.00 0.00 SOLV O ATOM 15547 H1 TIP3 4506 66.028 48.643 29.758 1.00 0.00 SOLV H ATOM 15548 H2 TIP3 4506 66.392 49.980 30.304 1.00 0.00 SOLV H ATOM 15549 OH2 TIP3 4507 68.391 42.827 30.319 1.00 0.00 SOLV O ATOM 15550 H1 TIP3 4507 68.787 42.117 29.803 1.00 0.00 SOLV H ATOM 15551 H2 TIP3 4507 68.660 43.617 29.821 1.00 0.00 SOLV H ATOM 15552 OH2 TIP3 4508 62.306 41.932 27.402 1.00 0.00 SOLV O ATOM 15553 H1 TIP3 4508 62.446 42.778 26.926 1.00 0.00 SOLV H ATOM 15554 H2 TIP3 4508 61.870 41.412 26.692 1.00 0.00 SOLV H ATOM 15555 OH2 TIP3 4509 58.720 44.358 28.051 1.00 0.00 SOLV O ATOM 15556 H1 TIP3 4509 59.351 43.929 28.656 1.00 0.00 SOLV H ATOM 15557 H2 TIP3 4509 58.995 43.948 27.203 1.00 0.00 SOLV H ATOM 15558 OH2 TIP3 4510 63.704 45.796 27.645 1.00 0.00 SOLV O ATOM 15559 H1 TIP3 4510 64.479 45.278 27.971 1.00 0.00 SOLV H ATOM 15560 H2 TIP3 4510 63.306 45.148 27.024 1.00 0.00 SOLV H ATOM 15561 OH2 TIP3 4511 60.998 40.901 31.420 1.00 0.00 SOLV O ATOM 15562 H1 TIP3 4511 60.712 41.537 30.733 1.00 0.00 SOLV H ATOM 15563 H2 TIP3 4511 60.318 41.063 32.110 1.00 0.00 SOLV H ATOM 15564 OH2 TIP3 4512 67.941 50.406 24.951 1.00 0.00 SOLV O ATOM 15565 H1 TIP3 4512 67.938 50.631 24.009 1.00 0.00 SOLV H ATOM 15566 H2 TIP3 4512 67.743 51.278 25.350 1.00 0.00 SOLV H ATOM 15567 OH2 TIP3 4513 63.604 48.636 31.520 1.00 0.00 SOLV O ATOM 15568 H1 TIP3 4513 63.062 49.382 31.852 1.00 0.00 SOLV H ATOM 15569 H2 TIP3 4513 64.269 49.110 30.971 1.00 0.00 SOLV H ATOM 15570 OH2 TIP3 4514 60.589 42.714 29.372 1.00 0.00 SOLV O ATOM 15571 H1 TIP3 4514 61.206 43.278 29.890 1.00 0.00 SOLV H ATOM 15572 H2 TIP3 4514 61.204 42.398 28.668 1.00 0.00 SOLV H ATOM 15573 OH2 TIP3 4515 62.001 50.690 32.589 1.00 0.00 SOLV O ATOM 15574 H1 TIP3 4515 62.039 51.612 32.274 1.00 0.00 SOLV H ATOM 15575 H2 TIP3 4515 61.058 50.621 32.825 1.00 0.00 SOLV H ATOM 15576 OH2 TIP3 4516 57.842 50.353 23.159 1.00 0.00 SOLV O ATOM 15577 H1 TIP3 4516 57.767 50.828 22.310 1.00 0.00 SOLV H ATOM 15578 H2 TIP3 4516 58.176 51.055 23.751 1.00 0.00 SOLV H ATOM 15579 OH2 TIP3 4517 64.667 38.057 28.889 1.00 0.00 SOLV O ATOM 15580 H1 TIP3 4517 64.412 37.116 28.825 1.00 0.00 SOLV H ATOM 15581 H2 TIP3 4517 63.844 38.448 29.259 1.00 0.00 SOLV H ATOM 15582 OH2 TIP3 4518 67.317 47.076 22.629 1.00 0.00 SOLV O ATOM 15583 H1 TIP3 4518 66.492 47.604 22.668 1.00 0.00 SOLV H ATOM 15584 H2 TIP3 4518 67.957 47.767 22.855 1.00 0.00 SOLV H ATOM 15585 OH2 TIP3 4519 67.100 45.502 20.168 1.00 0.00 SOLV O ATOM 15586 H1 TIP3 4519 67.227 45.882 21.060 1.00 0.00 SOLV H ATOM 15587 H2 TIP3 4519 67.504 44.624 20.229 1.00 0.00 SOLV H ATOM 15588 OH2 TIP3 4520 62.255 47.797 26.385 1.00 0.00 SOLV O ATOM 15589 H1 TIP3 4520 62.018 47.425 25.511 1.00 0.00 SOLV H ATOM 15590 H2 TIP3 4520 62.808 47.085 26.773 1.00 0.00 SOLV H ATOM 15591 OH2 TIP3 4521 63.414 50.879 28.967 1.00 0.00 SOLV O ATOM 15592 H1 TIP3 4521 63.693 51.317 28.149 1.00 0.00 SOLV H ATOM 15593 H2 TIP3 4521 64.224 50.401 29.236 1.00 0.00 SOLV H ATOM 15594 OH2 TIP3 4522 62.388 46.729 29.945 1.00 0.00 SOLV O ATOM 15595 H1 TIP3 4522 62.957 46.506 29.175 1.00 0.00 SOLV H ATOM 15596 H2 TIP3 4522 62.930 47.395 30.422 1.00 0.00 SOLV H ATOM 15597 OH2 TIP3 4523 67.857 52.616 31.936 1.00 0.00 SOLV O ATOM 15598 H1 TIP3 4523 68.772 52.899 31.793 1.00 0.00 SOLV H ATOM 15599 H2 TIP3 4523 67.943 51.645 31.877 1.00 0.00 SOLV H ATOM 15600 OH2 TIP3 4524 63.546 50.986 34.804 1.00 0.00 SOLV O ATOM 15601 H1 TIP3 4524 62.953 51.703 35.106 1.00 0.00 SOLV H ATOM 15602 H2 TIP3 4524 63.099 50.737 33.964 1.00 0.00 SOLV H ATOM 15603 OH2 TIP3 4525 60.620 47.073 34.103 1.00 0.00 SOLV O ATOM 15604 H1 TIP3 4525 60.636 47.817 34.731 1.00 0.00 SOLV H ATOM 15605 H2 TIP3 4525 59.656 46.981 33.965 1.00 0.00 SOLV H ATOM 15606 OH2 TIP3 4526 67.460 53.194 25.570 1.00 0.00 SOLV O ATOM 15607 H1 TIP3 4526 67.342 53.717 26.387 1.00 0.00 SOLV H ATOM 15608 H2 TIP3 4526 67.232 53.868 24.910 1.00 0.00 SOLV H ATOM 15609 OH2 TIP3 4527 61.741 53.068 35.491 1.00 0.00 SOLV O ATOM 15610 H1 TIP3 4527 61.715 53.356 34.552 1.00 0.00 SOLV H ATOM 15611 H2 TIP3 4527 60.799 52.900 35.698 1.00 0.00 SOLV H ATOM 15612 OH2 TIP3 4528 61.411 46.964 23.763 1.00 0.00 SOLV O ATOM 15613 H1 TIP3 4528 60.852 47.600 23.268 1.00 0.00 SOLV H ATOM 15614 H2 TIP3 4528 60.901 46.149 23.687 1.00 0.00 SOLV H ATOM 15615 OH2 TIP3 4529 57.293 49.443 32.790 1.00 0.00 SOLV O ATOM 15616 H1 TIP3 4529 56.786 49.477 31.952 1.00 0.00 SOLV H ATOM 15617 H2 TIP3 4529 57.477 48.484 32.886 1.00 0.00 SOLV H ATOM 15618 OH2 TIP3 4530 66.107 51.993 34.836 1.00 0.00 SOLV O ATOM 15619 H1 TIP3 4530 66.013 52.673 34.140 1.00 0.00 SOLV H ATOM 15620 H2 TIP3 4530 65.220 51.588 34.789 1.00 0.00 SOLV H ATOM 15621 OH2 TIP3 4531 66.830 55.830 23.989 1.00 0.00 SOLV O ATOM 15622 H1 TIP3 4531 66.790 56.025 23.043 1.00 0.00 SOLV H ATOM 15623 H2 TIP3 4531 66.694 56.700 24.400 1.00 0.00 SOLV H ATOM 15624 OH2 TIP3 4532 60.364 54.737 26.010 1.00 0.00 SOLV O ATOM 15625 H1 TIP3 4532 60.605 54.452 26.918 1.00 0.00 SOLV H ATOM 15626 H2 TIP3 4532 59.857 53.976 25.676 1.00 0.00 SOLV H ATOM 15627 OH2 TIP3 4533 59.384 50.900 33.778 1.00 0.00 SOLV O ATOM 15628 H1 TIP3 4533 59.754 50.330 34.487 1.00 0.00 SOLV H ATOM 15629 H2 TIP3 4533 58.716 50.294 33.383 1.00 0.00 SOLV H ATOM 15630 OH2 TIP3 4534 62.269 39.002 29.820 1.00 0.00 SOLV O ATOM 15631 H1 TIP3 4534 61.509 38.977 29.202 1.00 0.00 SOLV H ATOM 15632 H2 TIP3 4534 62.000 39.764 30.372 1.00 0.00 SOLV H ATOM 15633 OH2 TIP3 4535 66.886 38.583 33.191 1.00 0.00 SOLV O ATOM 15634 H1 TIP3 4535 66.951 38.210 34.082 1.00 0.00 SOLV H ATOM 15635 H2 TIP3 4535 65.907 38.541 33.073 1.00 0.00 SOLV H ATOM 15636 OH2 TIP3 4536 66.650 41.070 20.530 1.00 0.00 SOLV O ATOM 15637 H1 TIP3 4536 66.066 40.987 21.308 1.00 0.00 SOLV H ATOM 15638 H2 TIP3 4536 66.155 40.510 19.902 1.00 0.00 SOLV H ATOM 15639 OH2 TIP3 4537 62.275 44.194 30.964 1.00 0.00 SOLV O ATOM 15640 H1 TIP3 4537 61.647 44.311 31.705 1.00 0.00 SOLV H ATOM 15641 H2 TIP3 4537 62.338 45.110 30.619 1.00 0.00 SOLV H ATOM 15642 OH2 TIP3 4538 62.318 44.198 25.886 1.00 0.00 SOLV O ATOM 15643 H1 TIP3 4538 61.344 44.066 25.855 1.00 0.00 SOLV H ATOM 15644 H2 TIP3 4538 62.541 43.918 24.971 1.00 0.00 SOLV H ATOM 15645 OH2 TIP3 4539 67.536 44.628 24.310 1.00 0.00 SOLV O ATOM 15646 H1 TIP3 4539 67.190 45.471 24.644 1.00 0.00 SOLV H ATOM 15647 H2 TIP3 4539 67.602 44.830 23.365 1.00 0.00 SOLV H ATOM 15648 OH2 TIP3 4540 67.066 44.695 35.902 1.00 0.00 SOLV O ATOM 15649 H1 TIP3 4540 66.551 43.963 36.306 1.00 0.00 SOLV H ATOM 15650 H2 TIP3 4540 67.984 44.434 36.081 1.00 0.00 SOLV H ATOM 15651 OH2 TIP3 4541 68.143 43.751 27.417 1.00 0.00 SOLV O ATOM 15652 H1 TIP3 4541 68.428 44.472 26.851 1.00 0.00 SOLV H ATOM 15653 H2 TIP3 4541 68.587 42.986 26.999 1.00 0.00 SOLV H ATOM 15654 OH2 TIP3 4542 60.122 44.320 32.709 1.00 0.00 SOLV O ATOM 15655 H1 TIP3 4542 60.493 44.661 33.539 1.00 0.00 SOLV H ATOM 15656 H2 TIP3 4542 59.800 43.442 32.976 1.00 0.00 SOLV H ATOM 15657 OH2 TIP3 4543 63.419 41.723 19.342 1.00 0.00 SOLV O ATOM 15658 H1 TIP3 4543 63.002 41.549 20.210 1.00 0.00 SOLV H ATOM 15659 H2 TIP3 4543 62.807 42.403 18.991 1.00 0.00 SOLV H ATOM 15660 OH2 TIP3 4544 56.706 41.468 26.317 1.00 0.00 SOLV O ATOM 15661 H1 TIP3 4544 57.136 41.470 27.195 1.00 0.00 SOLV H ATOM 15662 H2 TIP3 4544 57.201 40.784 25.855 1.00 0.00 SOLV H ATOM 15663 OH2 TIP3 4545 57.622 42.188 21.930 1.00 0.00 SOLV O ATOM 15664 H1 TIP3 4545 58.267 42.624 21.330 1.00 0.00 SOLV H ATOM 15665 H2 TIP3 4545 57.034 42.946 22.108 1.00 0.00 SOLV H ATOM 15666 OH2 TIP3 4546 68.234 45.461 32.337 1.00 0.00 SOLV O ATOM 15667 H1 TIP3 4546 68.515 45.179 31.444 1.00 0.00 SOLV H ATOM 15668 H2 TIP3 4546 67.542 44.797 32.536 1.00 0.00 SOLV H ATOM 15669 OH2 TIP3 4547 65.034 41.706 26.811 1.00 0.00 SOLV O ATOM 15670 H1 TIP3 4547 64.166 41.685 27.256 1.00 0.00 SOLV H ATOM 15671 H2 TIP3 4547 65.612 41.269 27.464 1.00 0.00 SOLV H ATOM 15672 OH2 TIP3 4548 59.729 43.384 25.687 1.00 0.00 SOLV O ATOM 15673 H1 TIP3 4548 58.943 43.709 25.186 1.00 0.00 SOLV H ATOM 15674 H2 TIP3 4548 59.843 42.481 25.341 1.00 0.00 SOLV H ATOM 15675 OH2 TIP3 4549 62.768 43.301 23.346 1.00 0.00 SOLV O ATOM 15676 H1 TIP3 4549 63.736 43.265 23.491 1.00 0.00 SOLV H ATOM 15677 H2 TIP3 4549 62.683 43.796 22.497 1.00 0.00 SOLV H ATOM 15678 OH2 TIP3 4550 62.414 44.465 20.919 1.00 0.00 SOLV O ATOM 15679 H1 TIP3 4550 61.830 44.215 20.180 1.00 0.00 SOLV H ATOM 15680 H2 TIP3 4550 63.146 44.895 20.430 1.00 0.00 SOLV H ATOM 15681 OH2 TIP3 4551 60.366 49.282 35.900 1.00 0.00 SOLV O ATOM 15682 H1 TIP3 4551 61.030 49.282 36.611 1.00 0.00 SOLV H ATOM 15683 H2 TIP3 4551 59.544 49.150 36.414 1.00 0.00 SOLV H ATOM 15684 OH2 TIP3 4552 65.753 44.313 28.623 1.00 0.00 SOLV O ATOM 15685 H1 TIP3 4552 66.591 44.020 28.202 1.00 0.00 SOLV H ATOM 15686 H2 TIP3 4552 65.679 43.677 29.354 1.00 0.00 SOLV H ATOM 15687 OH2 TIP3 4553 60.996 40.732 25.291 1.00 0.00 SOLV O ATOM 15688 H1 TIP3 4553 60.370 40.001 25.496 1.00 0.00 SOLV H ATOM 15689 H2 TIP3 4553 61.500 40.339 24.567 1.00 0.00 SOLV H ATOM 15690 OH2 TIP3 4554 64.726 42.937 31.133 1.00 0.00 SOLV O ATOM 15691 H1 TIP3 4554 63.950 43.528 31.075 1.00 0.00 SOLV H ATOM 15692 H2 TIP3 4554 65.284 43.371 31.816 1.00 0.00 SOLV H ATOM 15693 OH2 TIP3 4555 65.288 48.953 22.854 1.00 0.00 SOLV O ATOM 15694 H1 TIP3 4555 64.503 48.567 22.402 1.00 0.00 SOLV H ATOM 15695 H2 TIP3 4555 64.887 49.187 23.731 1.00 0.00 SOLV H ATOM 15696 OH2 TIP3 4556 67.077 49.511 33.835 1.00 0.00 SOLV O ATOM 15697 H1 TIP3 4556 66.759 49.075 34.628 1.00 0.00 SOLV H ATOM 15698 H2 TIP3 4556 66.964 50.452 34.069 1.00 0.00 SOLV H ATOM 15699 OH2 TIP3 4557 60.607 48.519 28.482 1.00 0.00 SOLV O ATOM 15700 H1 TIP3 4557 61.175 48.420 27.690 1.00 0.00 SOLV H ATOM 15701 H2 TIP3 4557 61.021 47.872 29.077 1.00 0.00 SOLV H ATOM 15702 OH2 TIP3 4558 67.452 50.510 22.058 1.00 0.00 SOLV O ATOM 15703 H1 TIP3 4558 67.084 51.426 22.072 1.00 0.00 SOLV H ATOM 15704 H2 TIP3 4558 66.659 49.993 22.315 1.00 0.00 SOLV H ATOM 15705 OH2 TIP3 4559 57.796 46.942 33.981 1.00 0.00 SOLV O ATOM 15706 H1 TIP3 4559 57.780 46.432 34.811 1.00 0.00 SOLV H ATOM 15707 H2 TIP3 4559 57.106 46.505 33.438 1.00 0.00 SOLV H ATOM 15708 OH2 TIP3 4560 64.818 46.500 36.003 1.00 0.00 SOLV O ATOM 15709 H1 TIP3 4560 64.242 46.151 35.303 1.00 0.00 SOLV H ATOM 15710 H2 TIP3 4560 65.645 46.010 35.814 1.00 0.00 SOLV H ATOM 15711 OH2 TIP3 4561 63.127 52.046 26.028 1.00 0.00 SOLV O ATOM 15712 H1 TIP3 4561 63.338 52.940 25.692 1.00 0.00 SOLV H ATOM 15713 H2 TIP3 4561 62.172 52.028 25.927 1.00 0.00 SOLV H ATOM 15714 OH2 TIP3 4562 58.770 46.655 20.640 1.00 0.00 SOLV O ATOM 15715 H1 TIP3 4562 59.228 47.356 21.153 1.00 0.00 SOLV H ATOM 15716 H2 TIP3 4562 57.864 46.719 21.020 1.00 0.00 SOLV H ATOM 15717 OH2 TIP3 4563 64.015 49.566 25.155 1.00 0.00 SOLV O ATOM 15718 H1 TIP3 4563 63.829 50.458 25.515 1.00 0.00 SOLV H ATOM 15719 H2 TIP3 4563 63.425 49.015 25.706 1.00 0.00 SOLV H ATOM 15720 OH2 TIP3 4564 65.062 53.375 32.584 1.00 0.00 SOLV O ATOM 15721 H1 TIP3 4564 64.644 54.010 31.961 1.00 0.00 SOLV H ATOM 15722 H2 TIP3 4564 65.867 53.136 32.085 1.00 0.00 SOLV H ATOM 15723 OH2 TIP3 4565 62.955 54.714 24.943 1.00 0.00 SOLV O ATOM 15724 H1 TIP3 4565 62.042 54.910 25.230 1.00 0.00 SOLV H ATOM 15725 H2 TIP3 4565 63.414 55.519 25.282 1.00 0.00 SOLV H ATOM 15726 OH2 TIP3 4566 68.047 49.879 31.282 1.00 0.00 SOLV O ATOM 15727 H1 TIP3 4566 67.674 49.392 32.051 1.00 0.00 SOLV H ATOM 15728 H2 TIP3 4566 68.495 49.178 30.756 1.00 0.00 SOLV H ATOM 15729 OH2 TIP3 4567 59.178 41.482 33.427 1.00 0.00 SOLV O ATOM 15730 H1 TIP3 4567 58.297 41.744 33.716 1.00 0.00 SOLV H ATOM 15731 H2 TIP3 4567 59.373 40.776 34.084 1.00 0.00 SOLV H ATOM 15732 OH2 TIP3 4568 64.497 52.045 19.161 1.00 0.00 SOLV O ATOM 15733 H1 TIP3 4568 64.693 51.182 18.753 1.00 0.00 SOLV H ATOM 15734 H2 TIP3 4568 64.074 51.765 19.998 1.00 0.00 SOLV H ATOM 15735 OH2 TIP3 4569 63.334 51.534 21.617 1.00 0.00 SOLV O ATOM 15736 H1 TIP3 4569 63.880 51.049 22.250 1.00 0.00 SOLV H ATOM 15737 H2 TIP3 4569 63.452 52.462 21.930 1.00 0.00 SOLV H ATOM 15738 OH2 TIP3 4570 59.824 48.666 22.195 1.00 0.00 SOLV O ATOM 15739 H1 TIP3 4570 59.093 49.136 22.649 1.00 0.00 SOLV H ATOM 15740 H2 TIP3 4570 60.233 49.414 21.715 1.00 0.00 SOLV H ATOM 15741 OH2 TIP3 4571 67.713 41.301 33.278 1.00 0.00 SOLV O ATOM 15742 H1 TIP3 4571 67.761 41.211 34.254 1.00 0.00 SOLV H ATOM 15743 H2 TIP3 4571 67.240 40.496 33.017 1.00 0.00 SOLV H ATOM 15744 OH2 TIP3 4572 67.994 41.449 23.647 1.00 0.00 SOLV O ATOM 15745 H1 TIP3 4572 68.238 41.671 22.737 1.00 0.00 SOLV H ATOM 15746 H2 TIP3 4572 68.512 42.094 24.153 1.00 0.00 SOLV H ATOM 15747 OH2 TIP3 4573 66.386 52.998 22.215 1.00 0.00 SOLV O ATOM 15748 H1 TIP3 4573 65.457 53.264 22.374 1.00 0.00 SOLV H ATOM 15749 H2 TIP3 4573 66.782 53.876 22.095 1.00 0.00 SOLV H ATOM 15750 OH2 TIP3 4574 65.297 42.892 24.374 1.00 0.00 SOLV O ATOM 15751 H1 TIP3 4574 66.125 43.385 24.526 1.00 0.00 SOLV H ATOM 15752 H2 TIP3 4574 65.154 42.500 25.271 1.00 0.00 SOLV H ATOM 15753 OH2 TIP3 4575 66.366 43.669 33.185 1.00 0.00 SOLV O ATOM 15754 H1 TIP3 4575 66.486 43.821 34.136 1.00 0.00 SOLV H ATOM 15755 H2 TIP3 4575 66.870 42.834 33.044 1.00 0.00 SOLV H ATOM 15756 OH2 TIP3 4576 66.342 39.719 24.941 1.00 0.00 SOLV O ATOM 15757 H1 TIP3 4576 66.366 40.074 25.855 1.00 0.00 SOLV H ATOM 15758 H2 TIP3 4576 66.875 40.411 24.482 1.00 0.00 SOLV H ATOM 15759 OH2 TIP3 4577 63.872 54.047 22.463 1.00 0.00 SOLV O ATOM 15760 H1 TIP3 4577 63.880 54.913 21.998 1.00 0.00 SOLV H ATOM 15761 H2 TIP3 4577 63.563 54.321 23.358 1.00 0.00 SOLV H ATOM 15762 OH2 TIP3 4578 62.370 41.049 21.808 1.00 0.00 SOLV O ATOM 15763 H1 TIP3 4578 62.284 41.819 22.409 1.00 0.00 SOLV H ATOM 15764 H2 TIP3 4578 63.260 40.731 22.074 1.00 0.00 SOLV H ATOM 15765 OH2 TIP3 4579 60.698 50.941 20.778 1.00 0.00 SOLV O ATOM 15766 H1 TIP3 4579 61.491 51.362 21.170 1.00 0.00 SOLV H ATOM 15767 H2 TIP3 4579 61.147 50.402 20.090 1.00 0.00 SOLV H ATOM 15768 OH2 TIP3 4580 58.743 43.948 20.185 1.00 0.00 SOLV O ATOM 15769 H1 TIP3 4580 58.914 44.873 20.454 1.00 0.00 SOLV H ATOM 15770 H2 TIP3 4580 58.204 44.071 19.396 1.00 0.00 SOLV H ATOM 15771 OH2 TIP3 4581 59.828 38.796 28.558 1.00 0.00 SOLV O ATOM 15772 H1 TIP3 4581 59.751 38.855 27.578 1.00 0.00 SOLV H ATOM 15773 H2 TIP3 4581 59.587 37.876 28.704 1.00 0.00 SOLV H ATOM 15774 OH2 TIP3 4582 58.553 52.774 24.585 1.00 0.00 SOLV O ATOM 15775 H1 TIP3 4582 57.691 53.021 24.936 1.00 0.00 SOLV H ATOM 15776 H2 TIP3 4582 58.619 53.411 23.832 1.00 0.00 SOLV H ATOM 15777 OH2 TIP3 4583 58.154 55.622 36.403 1.00 0.00 SOLV O ATOM 15778 H1 TIP3 4583 58.849 55.382 37.053 1.00 0.00 SOLV H ATOM 15779 H2 TIP3 4583 57.806 54.746 36.185 1.00 0.00 SOLV H ATOM 15780 OH2 TIP3 4584 62.844 53.866 37.848 1.00 0.00 SOLV O ATOM 15781 H1 TIP3 4584 63.183 52.974 37.631 1.00 0.00 SOLV H ATOM 15782 H2 TIP3 4584 62.367 54.020 37.010 1.00 0.00 SOLV H ATOM 15783 OH2 TIP3 4585 66.869 53.435 19.101 1.00 0.00 SOLV O ATOM 15784 H1 TIP3 4585 65.971 53.042 19.180 1.00 0.00 SOLV H ATOM 15785 H2 TIP3 4585 67.383 52.601 19.126 1.00 0.00 SOLV H ATOM 15786 OH2 TIP3 4586 57.879 49.160 37.167 1.00 0.00 SOLV O ATOM 15787 H1 TIP3 4586 57.798 48.193 37.207 1.00 0.00 SOLV H ATOM 15788 H2 TIP3 4586 57.168 49.398 36.534 1.00 0.00 SOLV H ATOM 15789 OH2 TIP3 4587 62.124 49.192 19.319 1.00 0.00 SOLV O ATOM 15790 H1 TIP3 4587 62.452 48.705 20.100 1.00 0.00 SOLV H ATOM 15791 H2 TIP3 4587 62.963 49.287 18.817 1.00 0.00 SOLV H ATOM 15792 OH2 TIP3 4588 64.404 49.239 36.675 1.00 0.00 SOLV O ATOM 15793 H1 TIP3 4588 64.166 49.721 35.851 1.00 0.00 SOLV H ATOM 15794 H2 TIP3 4588 64.593 48.335 36.348 1.00 0.00 SOLV H ATOM 15795 OH2 TIP3 4589 67.566 50.685 19.193 1.00 0.00 SOLV O ATOM 15796 H1 TIP3 4589 67.732 50.598 20.150 1.00 0.00 SOLV H ATOM 15797 H2 TIP3 4589 67.384 49.758 18.953 1.00 0.00 SOLV H ATOM 15798 OH2 TIP3 4590 58.904 46.203 36.636 1.00 0.00 SOLV O ATOM 15799 H1 TIP3 4590 59.689 45.635 36.476 1.00 0.00 SOLV H ATOM 15800 H2 TIP3 4590 58.955 46.318 37.603 1.00 0.00 SOLV H ATOM 15801 OH2 TIP3 4591 63.245 47.619 21.593 1.00 0.00 SOLV O ATOM 15802 H1 TIP3 4591 62.702 47.151 22.256 1.00 0.00 SOLV H ATOM 15803 H2 TIP3 4591 63.612 46.883 21.060 1.00 0.00 SOLV H ATOM 15804 OH2 TIP3 4592 62.675 45.299 33.951 1.00 0.00 SOLV O ATOM 15805 H1 TIP3 4592 62.021 46.034 33.941 1.00 0.00 SOLV H ATOM 15806 H2 TIP3 4592 63.432 45.706 33.465 1.00 0.00 SOLV H ATOM 15807 OH2 TIP3 4593 64.460 45.864 19.799 1.00 0.00 SOLV O ATOM 15808 H1 TIP3 4593 64.456 46.136 18.856 1.00 0.00 SOLV H ATOM 15809 H2 TIP3 4593 65.419 45.683 19.910 1.00 0.00 SOLV H ATOM 15810 OH2 TIP3 4594 67.811 47.864 37.619 1.00 0.00 SOLV O ATOM 15811 H1 TIP3 4594 68.394 47.267 37.129 1.00 0.00 SOLV H ATOM 15812 H2 TIP3 4594 67.269 47.215 38.102 1.00 0.00 SOLV H ATOM 15813 OH2 TIP3 4595 63.435 42.900 34.895 1.00 0.00 SOLV O ATOM 15814 H1 TIP3 4595 63.357 42.217 34.203 1.00 0.00 SOLV H ATOM 15815 H2 TIP3 4595 63.145 43.712 34.428 1.00 0.00 SOLV H ATOM 15816 OH2 TIP3 4596 63.431 41.064 32.702 1.00 0.00 SOLV O ATOM 15817 H1 TIP3 4596 63.982 41.628 32.116 1.00 0.00 SOLV H ATOM 15818 H2 TIP3 4596 62.568 41.099 32.243 1.00 0.00 SOLV H ATOM 15819 OH2 TIP3 4597 64.755 46.557 32.868 1.00 0.00 SOLV O ATOM 15820 H1 TIP3 4597 65.660 46.471 32.542 1.00 0.00 SOLV H ATOM 15821 H2 TIP3 4597 64.421 47.335 32.371 1.00 0.00 SOLV H ATOM 15822 OH2 TIP3 4598 60.919 44.256 36.540 1.00 0.00 SOLV O ATOM 15823 H1 TIP3 4598 61.005 43.490 37.141 1.00 0.00 SOLV H ATOM 15824 H2 TIP3 4598 61.759 44.155 36.069 1.00 0.00 SOLV H ATOM 15825 OH2 TIP3 4599 64.190 38.418 33.086 1.00 0.00 SOLV O ATOM 15826 H1 TIP3 4599 63.839 39.329 32.962 1.00 0.00 SOLV H ATOM 15827 H2 TIP3 4599 63.489 37.874 32.675 1.00 0.00 SOLV H ATOM 15828 OH2 TIP3 4600 65.495 42.565 36.608 1.00 0.00 SOLV O ATOM 15829 H1 TIP3 4600 65.078 42.161 37.389 1.00 0.00 SOLV H ATOM 15830 H2 TIP3 4600 64.688 42.669 36.045 1.00 0.00 SOLV H ATOM 15831 OH2 TIP3 4601 67.905 41.481 35.952 1.00 0.00 SOLV O ATOM 15832 H1 TIP3 4601 67.012 41.864 36.108 1.00 0.00 SOLV H ATOM 15833 H2 TIP3 4601 67.912 40.793 36.630 1.00 0.00 SOLV H ATOM 15834 OH2 TIP3 4602 59.461 41.574 37.019 1.00 0.00 SOLV O ATOM 15835 H1 TIP3 4602 59.532 40.753 36.504 1.00 0.00 SOLV H ATOM 15836 H2 TIP3 4602 60.331 41.567 37.487 1.00 0.00 SOLV H ATOM 15837 OH2 TIP3 4603 64.622 38.014 35.812 1.00 0.00 SOLV O ATOM 15838 H1 TIP3 4603 65.124 37.179 35.759 1.00 0.00 SOLV H ATOM 15839 H2 TIP3 4603 64.338 38.129 34.885 1.00 0.00 SOLV H ATOM 15840 OH2 TIP3 4604 64.583 39.773 37.983 1.00 0.00 SOLV O ATOM 15841 H1 TIP3 4604 64.477 39.255 37.157 1.00 0.00 SOLV H ATOM 15842 H2 TIP3 4604 63.752 40.307 38.015 1.00 0.00 SOLV H ATOM 15843 OH2 TIP3 4605 64.446 56.398 21.097 1.00 0.00 SOLV O ATOM 15844 H1 TIP3 4605 65.373 56.103 21.059 1.00 0.00 SOLV H ATOM 15845 H2 TIP3 4605 64.468 57.142 20.467 1.00 0.00 SOLV H ATOM 15846 OH2 TIP3 4606 57.983 51.105 20.392 1.00 0.00 SOLV O ATOM 15847 H1 TIP3 4606 58.958 51.139 20.516 1.00 0.00 SOLV H ATOM 15848 H2 TIP3 4606 57.899 50.356 19.762 1.00 0.00 SOLV H ATOM 15849 OH2 TIP3 4607 56.899 56.332 25.597 1.00 0.00 SOLV O ATOM 15850 H1 TIP3 4607 56.327 55.934 24.906 1.00 0.00 SOLV H ATOM 15851 H2 TIP3 4607 57.021 55.579 26.214 1.00 0.00 SOLV H ATOM 15852 OH2 TIP3 4608 57.395 54.345 27.451 1.00 0.00 SOLV O ATOM 15853 H1 TIP3 4608 57.544 53.395 27.426 1.00 0.00 SOLV H ATOM 15854 H2 TIP3 4608 57.807 54.586 28.304 1.00 0.00 SOLV H ATOM 15855 OH2 TIP3 4609 57.310 47.531 29.892 1.00 0.00 SOLV O ATOM 15856 H1 TIP3 4609 57.467 47.333 28.942 1.00 0.00 SOLV H ATOM 15857 H2 TIP3 4609 58.202 47.320 30.263 1.00 0.00 SOLV H ATOM 15858 OH2 TIP3 4610 57.189 42.637 36.017 1.00 0.00 SOLV O ATOM 15859 H1 TIP3 4610 58.094 42.453 36.364 1.00 0.00 SOLV H ATOM 15860 H2 TIP3 4610 56.736 41.848 36.333 1.00 0.00 SOLV H ATOM 15861 OH2 TIP3 4611 58.302 41.164 28.618 1.00 0.00 SOLV O ATOM 15862 H1 TIP3 4611 58.744 40.306 28.738 1.00 0.00 SOLV H ATOM 15863 H2 TIP3 4611 58.983 41.777 28.940 1.00 0.00 SOLV H ATOM 15864 OH2 TIP3 4612 56.389 43.953 29.997 1.00 0.00 SOLV O ATOM 15865 H1 TIP3 4612 56.880 43.752 29.185 1.00 0.00 SOLV H ATOM 15866 H2 TIP3 4612 56.826 44.759 30.285 1.00 0.00 SOLV H ATOM 15867 OH2 TIP3 4613 57.332 40.110 23.652 1.00 0.00 SOLV O ATOM 15868 H1 TIP3 4613 56.385 40.188 23.803 1.00 0.00 SOLV H ATOM 15869 H2 TIP3 4613 57.527 40.931 23.149 1.00 0.00 SOLV H ATOM 15870 OH2 TIP3 4614 59.051 52.688 36.431 1.00 0.00 SOLV O ATOM 15871 H1 TIP3 4614 58.366 52.386 35.818 1.00 0.00 SOLV H ATOM 15872 H2 TIP3 4614 58.814 52.200 37.235 1.00 0.00 SOLV H ATOM 15873 OH2 TIP3 4615 62.175 53.533 32.750 1.00 0.00 SOLV O ATOM 15874 H1 TIP3 4615 62.273 54.117 31.956 1.00 0.00 SOLV H ATOM 15875 H2 TIP3 4615 63.131 53.449 32.931 1.00 0.00 SOLV H ATOM 15876 OH2 TIP3 4616 66.621 55.091 35.754 1.00 0.00 SOLV O ATOM 15877 H1 TIP3 4616 66.585 54.503 36.527 1.00 0.00 SOLV H ATOM 15878 H2 TIP3 4616 67.316 54.661 35.238 1.00 0.00 SOLV H ATOM 15879 OH2 TIP3 4617 58.581 55.664 32.619 1.00 0.00 SOLV O ATOM 15880 H1 TIP3 4617 57.974 56.412 32.374 1.00 0.00 SOLV H ATOM 15881 H2 TIP3 4617 59.364 56.161 32.897 1.00 0.00 SOLV H ATOM 15882 OH2 TIP3 4618 66.726 56.224 30.267 1.00 0.00 SOLV O ATOM 15883 H1 TIP3 4618 65.829 55.837 30.222 1.00 0.00 SOLV H ATOM 15884 H2 TIP3 4618 66.826 56.357 31.222 1.00 0.00 SOLV H ATOM 15885 OH2 TIP3 4619 58.917 54.873 29.759 1.00 0.00 SOLV O ATOM 15886 H1 TIP3 4619 59.278 55.395 30.491 1.00 0.00 SOLV H ATOM 15887 H2 TIP3 4619 59.732 54.464 29.389 1.00 0.00 SOLV H ATOM 15888 OH2 TIP3 4620 61.146 53.883 28.554 1.00 0.00 SOLV O ATOM 15889 H1 TIP3 4620 61.126 52.937 28.827 1.00 0.00 SOLV H ATOM 15890 H2 TIP3 4620 62.000 54.185 28.930 1.00 0.00 SOLV H ATOM 15891 OH2 TIP3 4621 66.661 39.685 27.891 1.00 0.00 SOLV O ATOM 15892 H1 TIP3 4621 65.973 39.140 28.325 1.00 0.00 SOLV H ATOM 15893 H2 TIP3 4621 67.418 39.086 27.943 1.00 0.00 SOLV H ATOM 15894 OH2 TIP3 4622 59.470 38.570 25.873 1.00 0.00 SOLV O ATOM 15895 H1 TIP3 4622 58.537 38.395 25.600 1.00 0.00 SOLV H ATOM 15896 H2 TIP3 4622 59.836 37.671 25.733 1.00 0.00 SOLV H ATOM 15897 OH2 TIP3 4623 58.237 38.386 21.739 1.00 0.00 SOLV O ATOM 15898 H1 TIP3 4623 58.823 39.012 21.278 1.00 0.00 SOLV H ATOM 15899 H2 TIP3 4623 57.940 38.930 22.504 1.00 0.00 SOLV H ATOM 15900 OH2 TIP3 4624 64.045 38.199 26.009 1.00 0.00 SOLV O ATOM 15901 H1 TIP3 4624 64.799 38.622 25.565 1.00 0.00 SOLV H ATOM 15902 H2 TIP3 4624 64.261 38.343 26.943 1.00 0.00 SOLV H ATOM 15903 OH2 TIP3 4625 58.273 54.643 22.676 1.00 0.00 SOLV O ATOM 15904 H1 TIP3 4625 57.461 54.580 22.139 1.00 0.00 SOLV H ATOM 15905 H2 TIP3 4625 58.438 55.605 22.590 1.00 0.00 SOLV H ATOM 15906 OH2 TIP3 4626 60.226 40.111 20.231 1.00 0.00 SOLV O ATOM 15907 H1 TIP3 4626 60.751 39.544 19.632 1.00 0.00 SOLV H ATOM 15908 H2 TIP3 4626 60.919 40.437 20.844 1.00 0.00 SOLV H ATOM 15909 OH2 TIP3 4627 64.968 40.724 22.703 1.00 0.00 SOLV O ATOM 15910 H1 TIP3 4627 65.289 40.031 23.308 1.00 0.00 SOLV H ATOM 15911 H2 TIP3 4627 65.137 41.519 23.254 1.00 0.00 SOLV H ATOM 15912 OH2 TIP3 4628 67.091 55.525 21.006 1.00 0.00 SOLV O ATOM 15913 H1 TIP3 4628 67.814 56.098 20.722 1.00 0.00 SOLV H ATOM 15914 H2 TIP3 4628 67.073 54.849 20.291 1.00 0.00 SOLV H ATOM 15915 OH2 TIP3 4629 59.320 39.408 35.233 1.00 0.00 SOLV O ATOM 15916 H1 TIP3 4629 58.681 38.723 35.466 1.00 0.00 SOLV H ATOM 15917 H2 TIP3 4629 60.144 38.991 35.592 1.00 0.00 SOLV H ATOM 15918 OH2 TIP3 4630 61.265 38.099 36.548 1.00 0.00 SOLV O ATOM 15919 H1 TIP3 4630 62.201 38.004 36.770 1.00 0.00 SOLV H ATOM 15920 H2 TIP3 4630 60.848 37.642 37.311 1.00 0.00 SOLV H ATOM 15921 OH2 TIP3 4631 59.983 55.252 19.515 1.00 0.00 SOLV O ATOM 15922 H1 TIP3 4631 59.835 55.241 20.470 1.00 0.00 SOLV H ATOM 15923 H2 TIP3 4631 60.790 54.688 19.429 1.00 0.00 SOLV H ATOM 15924 OH2 TIP3 4632 11.978 66.699 25.861 1.00 0.00 SOLV O ATOM 15925 H1 TIP3 4632 11.476 67.463 26.178 1.00 0.00 SOLV H ATOM 15926 H2 TIP3 4632 11.406 66.380 25.132 1.00 0.00 SOLV H ATOM 15927 OH2 TIP3 4633 10.982 65.793 29.548 1.00 0.00 SOLV O ATOM 15928 H1 TIP3 4633 11.100 65.384 30.435 1.00 0.00 SOLV H ATOM 15929 H2 TIP3 4633 10.531 65.070 29.075 1.00 0.00 SOLV H ATOM 15930 OH2 TIP3 4634 3.026 65.367 30.878 1.00 0.00 SOLV O ATOM 15931 H1 TIP3 4634 3.059 64.578 31.455 1.00 0.00 SOLV H ATOM 15932 H2 TIP3 4634 3.954 65.653 30.924 1.00 0.00 SOLV H ATOM 15933 OH2 TIP3 4635 14.154 68.374 28.087 1.00 0.00 SOLV O ATOM 15934 H1 TIP3 4635 14.059 67.423 27.929 1.00 0.00 SOLV H ATOM 15935 H2 TIP3 4635 14.085 68.395 29.054 1.00 0.00 SOLV H ATOM 15936 OH2 TIP3 4636 1.221 63.773 24.900 1.00 0.00 SOLV O ATOM 15937 H1 TIP3 4636 1.162 64.704 25.145 1.00 0.00 SOLV H ATOM 15938 H2 TIP3 4636 0.272 63.570 24.786 1.00 0.00 SOLV H ATOM 15939 OH2 TIP3 4637 2.066 65.854 27.545 1.00 0.00 SOLV O ATOM 15940 H1 TIP3 4637 2.196 64.887 27.665 1.00 0.00 SOLV H ATOM 15941 H2 TIP3 4637 2.586 66.019 26.753 1.00 0.00 SOLV H ATOM 15942 OH2 TIP3 4638 9.351 68.007 30.136 1.00 0.00 SOLV O ATOM 15943 H1 TIP3 4638 9.819 67.226 29.775 1.00 0.00 SOLV H ATOM 15944 H2 TIP3 4638 10.061 68.311 30.745 1.00 0.00 SOLV H ATOM 15945 OH2 TIP3 4639 18.035 59.873 30.807 1.00 0.00 SOLV O ATOM 15946 H1 TIP3 4639 18.291 60.548 31.469 1.00 0.00 SOLV H ATOM 15947 H2 TIP3 4639 18.529 60.175 30.024 1.00 0.00 SOLV H ATOM 15948 OH2 TIP3 4640 12.412 62.736 29.998 1.00 0.00 SOLV O ATOM 15949 H1 TIP3 4640 12.647 61.800 30.146 1.00 0.00 SOLV H ATOM 15950 H2 TIP3 4640 12.288 62.743 29.029 1.00 0.00 SOLV H ATOM 15951 OH2 TIP3 4641 5.841 60.762 27.338 1.00 0.00 SOLV O ATOM 15952 H1 TIP3 4641 5.948 61.621 26.877 1.00 0.00 SOLV H ATOM 15953 H2 TIP3 4641 5.386 60.247 26.637 1.00 0.00 SOLV H ATOM 15954 OH2 TIP3 4642 13.597 61.078 25.631 1.00 0.00 SOLV O ATOM 15955 H1 TIP3 4642 14.068 60.695 26.409 1.00 0.00 SOLV H ATOM 15956 H2 TIP3 4642 14.353 61.441 25.131 1.00 0.00 SOLV H ATOM 15957 OH2 TIP3 4643 2.444 63.210 27.963 1.00 0.00 SOLV O ATOM 15958 H1 TIP3 4643 2.960 62.666 28.585 1.00 0.00 SOLV H ATOM 15959 H2 TIP3 4643 2.709 62.801 27.112 1.00 0.00 SOLV H ATOM 15960 OH2 TIP3 4644 7.200 64.661 27.656 1.00 0.00 SOLV O ATOM 15961 H1 TIP3 4644 8.069 64.279 27.905 1.00 0.00 SOLV H ATOM 15962 H2 TIP3 4644 6.872 63.994 27.014 1.00 0.00 SOLV H ATOM 15963 OH2 TIP3 4645 18.524 61.458 33.069 1.00 0.00 SOLV O ATOM 15964 H1 TIP3 4645 17.779 62.060 32.854 1.00 0.00 SOLV H ATOM 15965 H2 TIP3 4645 18.673 61.672 34.009 1.00 0.00 SOLV H ATOM 15966 OH2 TIP3 4646 4.493 59.768 31.517 1.00 0.00 SOLV O ATOM 15967 H1 TIP3 4646 4.166 60.362 30.813 1.00 0.00 SOLV H ATOM 15968 H2 TIP3 4646 3.848 59.927 32.226 1.00 0.00 SOLV H ATOM 15969 OH2 TIP3 4647 6.990 67.598 31.334 1.00 0.00 SOLV O ATOM 15970 H1 TIP3 4647 6.401 68.239 30.890 1.00 0.00 SOLV H ATOM 15971 H2 TIP3 4647 7.856 67.816 30.919 1.00 0.00 SOLV H ATOM 15972 OH2 TIP3 4648 14.893 60.444 27.933 1.00 0.00 SOLV O ATOM 15973 H1 TIP3 4648 14.342 60.040 28.621 1.00 0.00 SOLV H ATOM 15974 H2 TIP3 4648 15.448 61.052 28.465 1.00 0.00 SOLV H ATOM 15975 OH2 TIP3 4649 4.078 61.449 29.351 1.00 0.00 SOLV O ATOM 15976 H1 TIP3 4649 4.691 61.993 29.898 1.00 0.00 SOLV H ATOM 15977 H2 TIP3 4649 4.710 61.130 28.665 1.00 0.00 SOLV H ATOM 15978 OH2 TIP3 4650 15.473 58.887 31.545 1.00 0.00 SOLV O ATOM 15979 H1 TIP3 4650 14.786 59.441 31.143 1.00 0.00 SOLV H ATOM 15980 H2 TIP3 4650 16.293 59.259 31.159 1.00 0.00 SOLV H ATOM 15981 OH2 TIP3 4651 8.140 56.868 28.881 1.00 0.00 SOLV O ATOM 15982 H1 TIP3 4651 7.804 55.950 28.850 1.00 0.00 SOLV H ATOM 15983 H2 TIP3 4651 7.354 57.330 29.246 1.00 0.00 SOLV H ATOM 15984 OH2 TIP3 4652 10.735 65.818 23.595 1.00 0.00 SOLV O ATOM 15985 H1 TIP3 4652 10.053 66.453 23.268 1.00 0.00 SOLV H ATOM 15986 H2 TIP3 4652 11.377 65.845 22.860 1.00 0.00 SOLV H ATOM 15987 OH2 TIP3 4653 10.765 64.548 20.181 1.00 0.00 SOLV O ATOM 15988 H1 TIP3 4653 11.348 64.827 20.912 1.00 0.00 SOLV H ATOM 15989 H2 TIP3 4653 11.361 63.925 19.716 1.00 0.00 SOLV H ATOM 15990 OH2 TIP3 4654 17.960 65.355 31.786 1.00 0.00 SOLV O ATOM 15991 H1 TIP3 4654 17.254 66.030 31.868 1.00 0.00 SOLV H ATOM 15992 H2 TIP3 4654 18.510 65.747 31.076 1.00 0.00 SOLV H ATOM 15993 OH2 TIP3 4655 14.082 65.637 24.403 1.00 0.00 SOLV O ATOM 15994 H1 TIP3 4655 13.413 65.973 25.040 1.00 0.00 SOLV H ATOM 15995 H2 TIP3 4655 14.769 65.279 25.004 1.00 0.00 SOLV H ATOM 15996 OH2 TIP3 4656 13.882 64.068 33.550 1.00 0.00 SOLV O ATOM 15997 H1 TIP3 4656 13.922 64.678 34.321 1.00 0.00 SOLV H ATOM 15998 H2 TIP3 4656 13.206 64.505 33.005 1.00 0.00 SOLV H ATOM 15999 OH2 TIP3 4657 5.508 66.523 26.468 1.00 0.00 SOLV O ATOM 16000 H1 TIP3 4657 5.302 66.176 25.572 1.00 0.00 SOLV H ATOM 16001 H2 TIP3 4657 6.109 65.834 26.822 1.00 0.00 SOLV H ATOM 16002 OH2 TIP3 4658 5.959 65.337 30.032 1.00 0.00 SOLV O ATOM 16003 H1 TIP3 4658 6.418 65.202 29.173 1.00 0.00 SOLV H ATOM 16004 H2 TIP3 4658 6.451 66.090 30.412 1.00 0.00 SOLV H ATOM 16005 OH2 TIP3 4659 12.861 65.346 21.903 1.00 0.00 SOLV O ATOM 16006 H1 TIP3 4659 13.383 65.676 22.665 1.00 0.00 SOLV H ATOM 16007 H2 TIP3 4659 13.407 65.683 21.150 1.00 0.00 SOLV H ATOM 16008 OH2 TIP3 4660 3.893 65.643 34.002 1.00 0.00 SOLV O ATOM 16009 H1 TIP3 4660 3.996 66.419 34.595 1.00 0.00 SOLV H ATOM 16010 H2 TIP3 4660 2.930 65.689 33.819 1.00 0.00 SOLV H ATOM 16011 OH2 TIP3 4661 16.638 56.880 21.839 1.00 0.00 SOLV O ATOM 16012 H1 TIP3 4661 15.768 57.193 22.159 1.00 0.00 SOLV H ATOM 16013 H2 TIP3 4661 17.049 57.729 21.565 1.00 0.00 SOLV H ATOM 16014 OH2 TIP3 4662 4.666 65.761 23.920 1.00 0.00 SOLV O ATOM 16015 H1 TIP3 4662 4.209 66.395 23.329 1.00 0.00 SOLV H ATOM 16016 H2 TIP3 4662 4.325 64.914 23.606 1.00 0.00 SOLV H ATOM 16017 OH2 TIP3 4663 1.306 68.248 33.274 1.00 0.00 SOLV O ATOM 16018 H1 TIP3 4663 1.548 68.164 32.341 1.00 0.00 SOLV H ATOM 16019 H2 TIP3 4663 1.212 67.310 33.534 1.00 0.00 SOLV H ATOM 16020 OH2 TIP3 4664 15.904 62.928 35.746 1.00 0.00 SOLV O ATOM 16021 H1 TIP3 4664 15.003 63.217 35.544 1.00 0.00 SOLV H ATOM 16022 H2 TIP3 4664 15.872 61.982 35.503 1.00 0.00 SOLV H ATOM 16023 OH2 TIP3 4665 5.667 57.868 29.807 1.00 0.00 SOLV O ATOM 16024 H1 TIP3 4665 4.884 57.851 29.220 1.00 0.00 SOLV H ATOM 16025 H2 TIP3 4665 5.391 58.575 30.424 1.00 0.00 SOLV H ATOM 16026 OH2 TIP3 4666 10.482 57.535 33.134 1.00 0.00 SOLV O ATOM 16027 H1 TIP3 4666 10.955 57.069 33.856 1.00 0.00 SOLV H ATOM 16028 H2 TIP3 4666 9.546 57.456 33.404 1.00 0.00 SOLV H ATOM 16029 OH2 TIP3 4667 13.442 61.404 33.869 1.00 0.00 SOLV O ATOM 16030 H1 TIP3 4667 12.760 61.338 34.577 1.00 0.00 SOLV H ATOM 16031 H2 TIP3 4667 13.515 62.374 33.739 1.00 0.00 SOLV H ATOM 16032 OH2 TIP3 4668 14.342 66.012 19.735 1.00 0.00 SOLV O ATOM 16033 H1 TIP3 4668 14.291 66.001 18.760 1.00 0.00 SOLV H ATOM 16034 H2 TIP3 4668 15.229 66.403 19.873 1.00 0.00 SOLV H ATOM 16035 OH2 TIP3 4669 9.947 60.010 20.532 1.00 0.00 SOLV O ATOM 16036 H1 TIP3 4669 9.342 59.879 21.288 1.00 0.00 SOLV H ATOM 16037 H2 TIP3 4669 9.545 59.389 19.892 1.00 0.00 SOLV H ATOM 16038 OH2 TIP3 4670 5.740 62.856 31.035 1.00 0.00 SOLV O ATOM 16039 H1 TIP3 4670 5.073 63.004 31.739 1.00 0.00 SOLV H ATOM 16040 H2 TIP3 4670 5.845 63.773 30.688 1.00 0.00 SOLV H ATOM 16041 OH2 TIP3 4671 5.934 63.050 25.860 1.00 0.00 SOLV O ATOM 16042 H1 TIP3 4671 4.964 62.899 25.782 1.00 0.00 SOLV H ATOM 16043 H2 TIP3 4671 6.203 62.811 24.946 1.00 0.00 SOLV H ATOM 16044 OH2 TIP3 4672 11.288 63.371 24.714 1.00 0.00 SOLV O ATOM 16045 H1 TIP3 4672 11.079 64.250 24.329 1.00 0.00 SOLV H ATOM 16046 H2 TIP3 4672 11.986 63.055 24.102 1.00 0.00 SOLV H ATOM 16047 OH2 TIP3 4673 10.439 63.617 35.858 1.00 0.00 SOLV O ATOM 16048 H1 TIP3 4673 10.021 62.838 36.284 1.00 0.00 SOLV H ATOM 16049 H2 TIP3 4673 11.317 63.605 36.307 1.00 0.00 SOLV H ATOM 16050 OH2 TIP3 4674 12.178 62.862 27.271 1.00 0.00 SOLV O ATOM 16051 H1 TIP3 4674 11.752 63.328 26.519 1.00 0.00 SOLV H ATOM 16052 H2 TIP3 4674 12.594 62.139 26.755 1.00 0.00 SOLV H ATOM 16053 OH2 TIP3 4675 3.505 63.177 32.612 1.00 0.00 SOLV O ATOM 16054 H1 TIP3 4675 3.694 63.775 33.360 1.00 0.00 SOLV H ATOM 16055 H2 TIP3 4675 3.098 62.409 33.049 1.00 0.00 SOLV H ATOM 16056 OH2 TIP3 4676 6.805 60.551 19.351 1.00 0.00 SOLV O ATOM 16057 H1 TIP3 4676 6.402 60.408 20.228 1.00 0.00 SOLV H ATOM 16058 H2 TIP3 4676 6.215 61.243 18.992 1.00 0.00 SOLV H ATOM 16059 OH2 TIP3 4677 0.599 60.454 26.299 1.00 0.00 SOLV O ATOM 16060 H1 TIP3 4677 0.941 60.315 27.206 1.00 0.00 SOLV H ATOM 16061 H2 TIP3 4677 0.895 59.650 25.853 1.00 0.00 SOLV H ATOM 16062 OH2 TIP3 4678 1.570 60.950 22.391 1.00 0.00 SOLV O ATOM 16063 H1 TIP3 4678 2.078 60.576 21.654 1.00 0.00 SOLV H ATOM 16064 H2 TIP3 4678 1.567 61.883 22.103 1.00 0.00 SOLV H ATOM 16065 OH2 TIP3 4679 11.394 64.428 31.838 1.00 0.00 SOLV O ATOM 16066 H1 TIP3 4679 11.834 63.790 31.227 1.00 0.00 SOLV H ATOM 16067 H2 TIP3 4679 10.857 63.805 32.373 1.00 0.00 SOLV H ATOM 16068 OH2 TIP3 4680 8.648 60.497 26.786 1.00 0.00 SOLV O ATOM 16069 H1 TIP3 4680 7.744 60.538 27.155 1.00 0.00 SOLV H ATOM 16070 H2 TIP3 4680 9.153 60.100 27.522 1.00 0.00 SOLV H ATOM 16071 OH2 TIP3 4681 3.397 62.159 25.606 1.00 0.00 SOLV O ATOM 16072 H1 TIP3 4681 2.581 62.467 25.150 1.00 0.00 SOLV H ATOM 16073 H2 TIP3 4681 3.520 61.253 25.259 1.00 0.00 SOLV H ATOM 16074 OH2 TIP3 4682 6.460 62.216 23.332 1.00 0.00 SOLV O ATOM 16075 H1 TIP3 4682 7.435 62.210 23.390 1.00 0.00 SOLV H ATOM 16076 H2 TIP3 4682 6.289 62.666 22.471 1.00 0.00 SOLV H ATOM 16077 OH2 TIP3 4683 12.764 59.981 30.016 1.00 0.00 SOLV O ATOM 16078 H1 TIP3 4683 12.306 59.972 30.890 1.00 0.00 SOLV H ATOM 16079 H2 TIP3 4683 12.063 59.611 29.454 1.00 0.00 SOLV H ATOM 16080 OH2 TIP3 4684 5.851 63.282 20.920 1.00 0.00 SOLV O ATOM 16081 H1 TIP3 4684 5.336 63.039 20.128 1.00 0.00 SOLV H ATOM 16082 H2 TIP3 4684 6.631 63.705 20.501 1.00 0.00 SOLV H ATOM 16083 OH2 TIP3 4685 3.847 67.426 36.123 1.00 0.00 SOLV O ATOM 16084 H1 TIP3 4685 4.489 67.544 36.853 1.00 0.00 SOLV H ATOM 16085 H2 TIP3 4685 3.026 67.746 36.537 1.00 0.00 SOLV H ATOM 16086 OH2 TIP3 4686 9.487 63.438 28.692 1.00 0.00 SOLV O ATOM 16087 H1 TIP3 4686 10.231 62.954 28.301 1.00 0.00 SOLV H ATOM 16088 H2 TIP3 4686 9.184 62.825 29.391 1.00 0.00 SOLV H ATOM 16089 OH2 TIP3 4687 4.498 59.541 25.226 1.00 0.00 SOLV O ATOM 16090 H1 TIP3 4687 3.950 58.783 25.527 1.00 0.00 SOLV H ATOM 16091 H2 TIP3 4687 5.027 59.126 24.532 1.00 0.00 SOLV H ATOM 16092 OH2 TIP3 4688 8.374 62.000 31.087 1.00 0.00 SOLV O ATOM 16093 H1 TIP3 4688 7.486 62.404 31.160 1.00 0.00 SOLV H ATOM 16094 H2 TIP3 4688 8.843 62.345 31.874 1.00 0.00 SOLV H ATOM 16095 OH2 TIP3 4689 8.855 67.558 22.739 1.00 0.00 SOLV O ATOM 16096 H1 TIP3 4689 8.076 67.385 22.186 1.00 0.00 SOLV H ATOM 16097 H2 TIP3 4689 8.430 67.765 23.601 1.00 0.00 SOLV H ATOM 16098 OH2 TIP3 4690 15.930 67.272 31.617 1.00 0.00 SOLV O ATOM 16099 H1 TIP3 4690 16.485 67.824 31.029 1.00 0.00 SOLV H ATOM 16100 H2 TIP3 4690 15.208 66.973 31.029 1.00 0.00 SOLV H ATOM 16101 OH2 TIP3 4691 12.528 60.531 21.178 1.00 0.00 SOLV O ATOM 16102 H1 TIP3 4691 11.569 60.505 20.945 1.00 0.00 SOLV H ATOM 16103 H2 TIP3 4691 12.635 61.407 21.598 1.00 0.00 SOLV H ATOM 16104 OH2 TIP3 4692 10.624 67.908 34.376 1.00 0.00 SOLV O ATOM 16105 H1 TIP3 4692 10.979 67.378 35.114 1.00 0.00 SOLV H ATOM 16106 H2 TIP3 4692 9.807 68.241 34.769 1.00 0.00 SOLV H ATOM 16107 OH2 TIP3 4693 13.239 62.710 22.829 1.00 0.00 SOLV O ATOM 16108 H1 TIP3 4693 14.137 62.588 23.189 1.00 0.00 SOLV H ATOM 16109 H2 TIP3 4693 13.276 63.624 22.485 1.00 0.00 SOLV H ATOM 16110 OH2 TIP3 4694 4.209 67.603 28.672 1.00 0.00 SOLV O ATOM 16111 H1 TIP3 4694 4.740 67.326 27.898 1.00 0.00 SOLV H ATOM 16112 H2 TIP3 4694 3.803 66.766 28.932 1.00 0.00 SOLV H ATOM 16113 OH2 TIP3 4695 1.145 65.528 33.809 1.00 0.00 SOLV O ATOM 16114 H1 TIP3 4695 0.918 65.115 34.661 1.00 0.00 SOLV H ATOM 16115 H2 TIP3 4695 0.472 65.103 33.220 1.00 0.00 SOLV H ATOM 16116 OH2 TIP3 4696 8.360 65.407 36.112 1.00 0.00 SOLV O ATOM 16117 H1 TIP3 4696 7.815 64.916 35.480 1.00 0.00 SOLV H ATOM 16118 H2 TIP3 4696 9.213 64.924 36.033 1.00 0.00 SOLV H ATOM 16119 OH2 TIP3 4697 18.001 63.115 22.461 1.00 0.00 SOLV O ATOM 16120 H1 TIP3 4697 17.545 62.920 21.608 1.00 0.00 SOLV H ATOM 16121 H2 TIP3 4697 18.216 64.056 22.263 1.00 0.00 SOLV H ATOM 16122 OH2 TIP3 4698 18.390 68.511 35.163 1.00 0.00 SOLV O ATOM 16123 H1 TIP3 4698 17.698 69.137 34.863 1.00 0.00 SOLV H ATOM 16124 H2 TIP3 4698 18.844 68.370 34.301 1.00 0.00 SOLV H ATOM 16125 OH2 TIP3 4699 13.759 66.322 29.932 1.00 0.00 SOLV O ATOM 16126 H1 TIP3 4699 12.796 66.249 29.762 1.00 0.00 SOLV H ATOM 16127 H2 TIP3 4699 14.075 65.518 29.467 1.00 0.00 SOLV H ATOM 16128 OH2 TIP3 4700 2.141 65.603 20.459 1.00 0.00 SOLV O ATOM 16129 H1 TIP3 4700 2.800 66.054 21.032 1.00 0.00 SOLV H ATOM 16130 H2 TIP3 4700 1.435 66.263 20.484 1.00 0.00 SOLV H ATOM 16131 OH2 TIP3 4701 7.585 67.933 25.117 1.00 0.00 SOLV O ATOM 16132 H1 TIP3 4701 7.495 68.859 25.416 1.00 0.00 SOLV H ATOM 16133 H2 TIP3 4701 6.941 67.487 25.691 1.00 0.00 SOLV H ATOM 16134 OH2 TIP3 4702 11.549 68.082 31.747 1.00 0.00 SOLV O ATOM 16135 H1 TIP3 4702 11.357 67.794 32.662 1.00 0.00 SOLV H ATOM 16136 H2 TIP3 4702 12.430 67.712 31.605 1.00 0.00 SOLV H ATOM 16137 OH2 TIP3 4703 2.390 60.435 33.618 1.00 0.00 SOLV O ATOM 16138 H1 TIP3 4703 1.680 60.098 33.048 1.00 0.00 SOLV H ATOM 16139 H2 TIP3 4703 2.481 59.702 34.263 1.00 0.00 SOLV H ATOM 16140 OH2 TIP3 4704 14.796 67.771 22.887 1.00 0.00 SOLV O ATOM 16141 H1 TIP3 4704 14.713 67.007 23.490 1.00 0.00 SOLV H ATOM 16142 H2 TIP3 4704 15.759 67.771 22.712 1.00 0.00 SOLV H ATOM 16143 OH2 TIP3 4705 3.538 67.396 21.995 1.00 0.00 SOLV O ATOM 16144 H1 TIP3 4705 2.927 68.168 21.897 1.00 0.00 SOLV H ATOM 16145 H2 TIP3 4705 4.326 67.745 21.555 1.00 0.00 SOLV H ATOM 16146 OH2 TIP3 4706 11.482 60.031 32.416 1.00 0.00 SOLV O ATOM 16147 H1 TIP3 4706 12.130 60.287 33.100 1.00 0.00 SOLV H ATOM 16148 H2 TIP3 4706 11.122 59.192 32.771 1.00 0.00 SOLV H ATOM 16149 OH2 TIP3 4707 12.215 59.413 23.800 1.00 0.00 SOLV O ATOM 16150 H1 TIP3 4707 12.352 59.821 22.921 1.00 0.00 SOLV H ATOM 16151 H2 TIP3 4707 12.633 60.073 24.396 1.00 0.00 SOLV H ATOM 16152 OH2 TIP3 4708 9.074 61.754 24.361 1.00 0.00 SOLV O ATOM 16153 H1 TIP3 4708 9.842 62.347 24.512 1.00 0.00 SOLV H ATOM 16154 H2 TIP3 4708 8.918 61.421 25.272 1.00 0.00 SOLV H ATOM 16155 OH2 TIP3 4709 10.017 62.615 33.306 1.00 0.00 SOLV O ATOM 16156 H1 TIP3 4709 10.163 62.943 34.222 1.00 0.00 SOLV H ATOM 16157 H2 TIP3 4709 10.384 61.716 33.358 1.00 0.00 SOLV H ATOM 16158 OH2 TIP3 4710 9.837 58.456 24.897 1.00 0.00 SOLV O ATOM 16159 H1 TIP3 4710 9.718 59.117 25.604 1.00 0.00 SOLV H ATOM 16160 H2 TIP3 4710 10.696 58.755 24.517 1.00 0.00 SOLV H ATOM 16161 OH2 TIP3 4711 5.826 59.934 21.874 1.00 0.00 SOLV O ATOM 16162 H1 TIP3 4711 5.813 60.725 22.451 1.00 0.00 SOLV H ATOM 16163 H2 TIP3 4711 6.713 59.586 22.113 1.00 0.00 SOLV H ATOM 16164 OH2 TIP3 4712 15.881 60.435 34.456 1.00 0.00 SOLV O ATOM 16165 H1 TIP3 4712 14.939 60.624 34.249 1.00 0.00 SOLV H ATOM 16166 H2 TIP3 4712 16.231 60.274 33.573 1.00 0.00 SOLV H ATOM 16167 OH2 TIP3 4713 14.545 64.172 28.331 1.00 0.00 SOLV O ATOM 16168 H1 TIP3 4713 13.715 63.716 28.096 1.00 0.00 SOLV H ATOM 16169 H2 TIP3 4713 15.020 63.479 28.844 1.00 0.00 SOLV H ATOM 16170 OH2 TIP3 4714 1.834 62.837 20.249 1.00 0.00 SOLV O ATOM 16171 H1 TIP3 4714 2.036 63.789 20.329 1.00 0.00 SOLV H ATOM 16172 H2 TIP3 4714 1.578 62.759 19.309 1.00 0.00 SOLV H ATOM 16173 OH2 TIP3 4715 3.102 57.767 28.678 1.00 0.00 SOLV O ATOM 16174 H1 TIP3 4715 3.057 57.600 27.711 1.00 0.00 SOLV H ATOM 16175 H2 TIP3 4715 2.839 56.889 29.038 1.00 0.00 SOLV H ATOM 16176 OH2 TIP3 4716 1.120 67.759 36.852 1.00 0.00 SOLV O ATOM 16177 H1 TIP3 4716 1.109 66.845 36.510 1.00 0.00 SOLV H ATOM 16178 H2 TIP3 4716 0.592 68.242 36.201 1.00 0.00 SOLV H ATOM 16179 OH2 TIP3 4717 5.616 67.781 19.437 1.00 0.00 SOLV O ATOM 16180 H1 TIP3 4717 5.968 67.295 20.214 1.00 0.00 SOLV H ATOM 16181 H2 TIP3 4717 6.408 67.775 18.850 1.00 0.00 SOLV H ATOM 16182 OH2 TIP3 4718 7.631 68.055 36.415 1.00 0.00 SOLV O ATOM 16183 H1 TIP3 4718 7.437 68.180 35.477 1.00 0.00 SOLV H ATOM 16184 H2 TIP3 4718 8.020 67.152 36.419 1.00 0.00 SOLV H ATOM 16185 OH2 TIP3 4719 13.630 68.006 34.028 1.00 0.00 SOLV O ATOM 16186 H1 TIP3 4719 14.406 68.471 33.685 1.00 0.00 SOLV H ATOM 16187 H2 TIP3 4719 12.985 68.713 34.156 1.00 0.00 SOLV H ATOM 16188 OH2 TIP3 4720 1.788 65.073 36.621 1.00 0.00 SOLV O ATOM 16189 H1 TIP3 4720 2.700 65.240 36.343 1.00 0.00 SOLV H ATOM 16190 H2 TIP3 4720 1.883 65.078 37.597 1.00 0.00 SOLV H ATOM 16191 OH2 TIP3 4721 6.608 66.400 21.540 1.00 0.00 SOLV O ATOM 16192 H1 TIP3 4721 6.275 65.928 22.319 1.00 0.00 SOLV H ATOM 16193 H2 TIP3 4721 7.122 65.700 21.078 1.00 0.00 SOLV H ATOM 16194 OH2 TIP3 4722 6.130 64.005 34.117 1.00 0.00 SOLV O ATOM 16195 H1 TIP3 4722 5.442 64.695 34.029 1.00 0.00 SOLV H ATOM 16196 H2 TIP3 4722 6.867 64.409 33.603 1.00 0.00 SOLV H ATOM 16197 OH2 TIP3 4723 8.012 64.608 19.936 1.00 0.00 SOLV O ATOM 16198 H1 TIP3 4723 8.053 64.893 18.998 1.00 0.00 SOLV H ATOM 16199 H2 TIP3 4723 8.968 64.455 20.109 1.00 0.00 SOLV H ATOM 16200 OH2 TIP3 4724 11.248 66.604 37.295 1.00 0.00 SOLV O ATOM 16201 H1 TIP3 4724 12.182 66.390 37.430 1.00 0.00 SOLV H ATOM 16202 H2 TIP3 4724 10.876 66.356 38.152 1.00 0.00 SOLV H ATOM 16203 OH2 TIP3 4725 16.973 67.005 19.572 1.00 0.00 SOLV O ATOM 16204 H1 TIP3 4725 16.979 66.938 18.597 1.00 0.00 SOLV H ATOM 16205 H2 TIP3 4725 17.215 67.935 19.727 1.00 0.00 SOLV H ATOM 16206 OH2 TIP3 4726 6.645 61.534 35.176 1.00 0.00 SOLV O ATOM 16207 H1 TIP3 4726 6.713 60.986 34.372 1.00 0.00 SOLV H ATOM 16208 H2 TIP3 4726 6.391 62.407 34.798 1.00 0.00 SOLV H ATOM 16209 OH2 TIP3 4727 6.960 59.999 32.741 1.00 0.00 SOLV O ATOM 16210 H1 TIP3 4727 7.532 60.498 32.130 1.00 0.00 SOLV H ATOM 16211 H2 TIP3 4727 6.106 59.997 32.263 1.00 0.00 SOLV H ATOM 16212 OH2 TIP3 4728 8.072 65.342 32.838 1.00 0.00 SOLV O ATOM 16213 H1 TIP3 4728 9.034 65.336 32.737 1.00 0.00 SOLV H ATOM 16214 H2 TIP3 4728 7.804 66.156 32.375 1.00 0.00 SOLV H ATOM 16215 OH2 TIP3 4729 12.772 63.207 37.261 1.00 0.00 SOLV O ATOM 16216 H1 TIP3 4729 13.096 62.436 37.742 1.00 0.00 SOLV H ATOM 16217 H2 TIP3 4729 13.068 63.944 37.824 1.00 0.00 SOLV H ATOM 16218 OH2 TIP3 4730 14.233 65.863 35.571 1.00 0.00 SOLV O ATOM 16219 H1 TIP3 4730 13.932 66.652 35.066 1.00 0.00 SOLV H ATOM 16220 H2 TIP3 4730 15.207 66.013 35.574 1.00 0.00 SOLV H ATOM 16221 OH2 TIP3 4731 7.638 57.278 33.141 1.00 0.00 SOLV O ATOM 16222 H1 TIP3 4731 7.362 58.206 32.993 1.00 0.00 SOLV H ATOM 16223 H2 TIP3 4731 6.923 56.781 32.695 1.00 0.00 SOLV H ATOM 16224 OH2 TIP3 4732 9.047 61.382 36.577 1.00 0.00 SOLV O ATOM 16225 H1 TIP3 4732 8.718 61.104 37.448 1.00 0.00 SOLV H ATOM 16226 H2 TIP3 4732 8.211 61.384 36.061 1.00 0.00 SOLV H ATOM 16227 OH2 TIP3 4733 11.504 60.635 35.552 1.00 0.00 SOLV O ATOM 16228 H1 TIP3 4733 10.655 60.777 36.019 1.00 0.00 SOLV H ATOM 16229 H2 TIP3 4733 12.067 60.260 36.260 1.00 0.00 SOLV H ATOM 16230 OH2 TIP3 4734 13.247 59.581 37.509 1.00 0.00 SOLV O ATOM 16231 H1 TIP3 4734 13.198 58.604 37.460 1.00 0.00 SOLV H ATOM 16232 H2 TIP3 4734 12.968 59.766 38.429 1.00 0.00 SOLV H ATOM 16233 OH2 TIP3 4735 7.731 56.644 35.802 1.00 0.00 SOLV O ATOM 16234 H1 TIP3 4735 8.315 55.864 35.710 1.00 0.00 SOLV H ATOM 16235 H2 TIP3 4735 7.640 56.899 34.861 1.00 0.00 SOLV H ATOM 16236 OH2 TIP3 4736 8.412 58.180 37.969 1.00 0.00 SOLV O ATOM 16237 H1 TIP3 4736 8.251 57.684 37.136 1.00 0.00 SOLV H ATOM 16238 H2 TIP3 4736 7.774 58.923 37.884 1.00 0.00 SOLV H ATOM 16239 OH2 TIP3 4737 17.584 67.312 23.311 1.00 0.00 SOLV O ATOM 16240 H1 TIP3 4737 17.950 68.207 23.295 1.00 0.00 SOLV H ATOM 16241 H2 TIP3 4737 17.940 66.910 24.134 1.00 0.00 SOLV H ATOM 16242 OH2 TIP3 4738 18.323 65.681 25.410 1.00 0.00 SOLV O ATOM 16243 H1 TIP3 4738 17.481 65.273 25.711 1.00 0.00 SOLV H ATOM 16244 H2 TIP3 4738 18.857 65.707 26.232 1.00 0.00 SOLV H ATOM 16245 OH2 TIP3 4739 17.906 68.617 30.362 1.00 0.00 SOLV O ATOM 16246 H1 TIP3 4739 18.542 68.077 29.856 1.00 0.00 SOLV H ATOM 16247 H2 TIP3 4739 17.540 69.236 29.695 1.00 0.00 SOLV H ATOM 16248 OH2 TIP3 4740 18.439 65.600 21.427 1.00 0.00 SOLV O ATOM 16249 H1 TIP3 4740 17.910 65.938 20.672 1.00 0.00 SOLV H ATOM 16250 H2 TIP3 4740 18.114 66.217 22.123 1.00 0.00 SOLV H ATOM 16251 OH2 TIP3 4741 16.903 62.827 19.997 1.00 0.00 SOLV O ATOM 16252 H1 TIP3 4741 16.692 63.393 19.245 1.00 0.00 SOLV H ATOM 16253 H2 TIP3 4741 16.622 61.954 19.647 1.00 0.00 SOLV H ATOM 16254 OH2 TIP3 4742 15.959 64.382 25.990 1.00 0.00 SOLV O ATOM 16255 H1 TIP3 4742 15.905 63.483 25.623 1.00 0.00 SOLV H ATOM 16256 H2 TIP3 4742 15.531 64.285 26.869 1.00 0.00 SOLV H ATOM 16257 OH2 TIP3 4743 1.188 67.252 30.088 1.00 0.00 SOLV O ATOM 16258 H1 TIP3 4743 1.183 66.975 29.156 1.00 0.00 SOLV H ATOM 16259 H2 TIP3 4743 1.852 66.630 30.447 1.00 0.00 SOLV H ATOM 16260 OH2 TIP3 4744 16.879 66.335 35.709 1.00 0.00 SOLV O ATOM 16261 H1 TIP3 4744 17.484 65.569 35.609 1.00 0.00 SOLV H ATOM 16262 H2 TIP3 4744 17.437 67.077 35.397 1.00 0.00 SOLV H ATOM 16263 OH2 TIP3 4745 18.357 64.030 35.485 1.00 0.00 SOLV O ATOM 16264 H1 TIP3 4745 17.466 63.632 35.615 1.00 0.00 SOLV H ATOM 16265 H2 TIP3 4745 18.916 63.268 35.744 1.00 0.00 SOLV H ATOM 16266 OH2 TIP3 4746 16.078 60.412 19.025 1.00 0.00 SOLV O ATOM 16267 H1 TIP3 4746 16.510 59.846 19.694 1.00 0.00 SOLV H ATOM 16268 H2 TIP3 4746 15.206 60.000 18.901 1.00 0.00 SOLV H ATOM 16269 OH2 TIP3 4747 15.787 62.002 24.146 1.00 0.00 SOLV O ATOM 16270 H1 TIP3 4747 16.034 61.046 24.152 1.00 0.00 SOLV H ATOM 16271 H2 TIP3 4747 16.545 62.367 23.651 1.00 0.00 SOLV H ATOM 16272 OH2 TIP3 4748 16.082 62.271 29.606 1.00 0.00 SOLV O ATOM 16273 H1 TIP3 4748 17.045 62.411 29.450 1.00 0.00 SOLV H ATOM 16274 H2 TIP3 4748 16.059 62.454 30.568 1.00 0.00 SOLV H ATOM 16275 OH2 TIP3 4749 16.396 63.119 32.262 1.00 0.00 SOLV O ATOM 16276 H1 TIP3 4749 15.608 63.453 32.735 1.00 0.00 SOLV H ATOM 16277 H2 TIP3 4749 16.921 63.941 32.147 1.00 0.00 SOLV H ATOM 16278 OH2 TIP3 4750 1.640 61.326 36.222 1.00 0.00 SOLV O ATOM 16279 H1 TIP3 4750 1.928 61.375 35.292 1.00 0.00 SOLV H ATOM 16280 H2 TIP3 4750 0.678 61.144 36.112 1.00 0.00 SOLV H ATOM 16281 OH2 TIP3 4751 18.603 57.350 37.642 1.00 0.00 SOLV O ATOM 16282 H1 TIP3 4751 19.245 56.714 37.257 1.00 0.00 SOLV H ATOM 16283 H2 TIP3 4751 18.573 58.043 36.946 1.00 0.00 SOLV H ATOM 16284 OH2 TIP3 4752 16.332 59.301 24.202 1.00 0.00 SOLV O ATOM 16285 H1 TIP3 4752 16.523 58.868 25.061 1.00 0.00 SOLV H ATOM 16286 H2 TIP3 4752 15.647 58.697 23.846 1.00 0.00 SOLV H ATOM 16287 OH2 TIP3 4753 1.577 60.044 28.851 1.00 0.00 SOLV O ATOM 16288 H1 TIP3 4753 2.061 59.191 28.883 1.00 0.00 SOLV H ATOM 16289 H2 TIP3 4753 2.297 60.660 29.074 1.00 0.00 SOLV H ATOM 16290 OH2 TIP3 4754 0.441 64.303 29.752 1.00 0.00 SOLV O ATOM 16291 H1 TIP3 4754 0.690 63.976 28.869 1.00 0.00 SOLV H ATOM 16292 H2 TIP3 4754 1.309 64.610 30.074 1.00 0.00 SOLV H ATOM 16293 OH2 TIP3 4755 18.039 59.236 35.786 1.00 0.00 SOLV O ATOM 16294 H1 TIP3 4755 17.252 59.783 35.991 1.00 0.00 SOLV H ATOM 16295 H2 TIP3 4755 17.706 58.755 35.002 1.00 0.00 SOLV H ATOM 16296 OH2 TIP3 4756 17.870 59.104 20.791 1.00 0.00 SOLV O ATOM 16297 H1 TIP3 4756 18.338 58.526 20.152 1.00 0.00 SOLV H ATOM 16298 H2 TIP3 4756 18.589 59.685 21.112 1.00 0.00 SOLV H ATOM 16299 OH2 TIP3 4757 1.210 58.599 23.914 1.00 0.00 SOLV O ATOM 16300 H1 TIP3 4757 0.240 58.635 23.924 1.00 0.00 SOLV H ATOM 16301 H2 TIP3 4757 1.411 59.444 23.456 1.00 0.00 SOLV H ATOM 16302 OH2 TIP3 4758 0.529 58.203 32.248 1.00 0.00 SOLV O ATOM 16303 H1 TIP3 4758 -0.306 57.773 32.519 1.00 0.00 SOLV H ATOM 16304 H2 TIP3 4758 0.407 58.286 31.293 1.00 0.00 SOLV H ATOM 16305 OH2 TIP3 4759 17.130 57.366 33.893 1.00 0.00 SOLV O ATOM 16306 H1 TIP3 4759 16.369 57.509 33.306 1.00 0.00 SOLV H ATOM 16307 H2 TIP3 4759 17.362 56.431 33.692 1.00 0.00 SOLV H ATOM 16308 OH2 TIP3 4760 10.429 58.802 28.241 1.00 0.00 SOLV O ATOM 16309 H1 TIP3 4760 9.853 58.050 28.457 1.00 0.00 SOLV H ATOM 16310 H2 TIP3 4760 11.245 58.361 27.925 1.00 0.00 SOLV H ATOM 16311 OH2 TIP3 4761 15.475 56.871 28.234 1.00 0.00 SOLV O ATOM 16312 H1 TIP3 4761 16.101 57.450 27.743 1.00 0.00 SOLV H ATOM 16313 H2 TIP3 4761 14.628 57.325 28.076 1.00 0.00 SOLV H ATOM 16314 OH2 TIP3 4762 17.204 58.048 26.495 1.00 0.00 SOLV O ATOM 16315 H1 TIP3 4762 17.943 57.465 26.216 1.00 0.00 SOLV H ATOM 16316 H2 TIP3 4762 17.707 58.879 26.666 1.00 0.00 SOLV H ATOM 16317 OH2 TIP3 4763 2.926 57.419 25.919 1.00 0.00 SOLV O ATOM 16318 H1 TIP3 4763 2.267 57.525 25.205 1.00 0.00 SOLV H ATOM 16319 H2 TIP3 4763 3.197 56.479 25.811 1.00 0.00 SOLV H ATOM 16320 OH2 TIP3 4764 1.829 57.029 21.686 1.00 0.00 SOLV O ATOM 16321 H1 TIP3 4764 2.276 57.676 21.116 1.00 0.00 SOLV H ATOM 16322 H2 TIP3 4764 1.690 57.534 22.511 1.00 0.00 SOLV H ATOM 16323 OH2 TIP3 4765 7.524 57.088 25.974 1.00 0.00 SOLV O ATOM 16324 H1 TIP3 4765 8.266 57.545 25.545 1.00 0.00 SOLV H ATOM 16325 H2 TIP3 4765 7.736 57.193 26.916 1.00 0.00 SOLV H ATOM 16326 OH2 TIP3 4766 12.799 57.557 27.397 1.00 0.00 SOLV O ATOM 16327 H1 TIP3 4766 13.090 57.288 26.516 1.00 0.00 SOLV H ATOM 16328 H2 TIP3 4766 12.490 56.697 27.769 1.00 0.00 SOLV H ATOM 16329 OH2 TIP3 4767 14.317 57.631 23.229 1.00 0.00 SOLV O ATOM 16330 H1 TIP3 4767 13.516 58.175 23.364 1.00 0.00 SOLV H ATOM 16331 H2 TIP3 4767 13.947 56.732 23.365 1.00 0.00 SOLV H ATOM 16332 OH2 TIP3 4768 3.700 58.994 20.267 1.00 0.00 SOLV O ATOM 16333 H1 TIP3 4768 4.178 58.407 19.643 1.00 0.00 SOLV H ATOM 16334 H2 TIP3 4768 4.431 59.259 20.866 1.00 0.00 SOLV H ATOM 16335 OH2 TIP3 4769 8.419 59.621 22.785 1.00 0.00 SOLV O ATOM 16336 H1 TIP3 4769 8.788 58.940 23.376 1.00 0.00 SOLV H ATOM 16337 H2 TIP3 4769 8.677 60.427 23.284 1.00 0.00 SOLV H ATOM 16338 OH2 TIP3 4770 2.617 58.035 35.416 1.00 0.00 SOLV O ATOM 16339 H1 TIP3 4770 2.111 57.248 35.718 1.00 0.00 SOLV H ATOM 16340 H2 TIP3 4770 3.420 57.934 35.966 1.00 0.00 SOLV H ATOM 16341 OH2 TIP3 4771 4.802 57.424 37.173 1.00 0.00 SOLV O ATOM 16342 H1 TIP3 4771 5.701 57.151 36.919 1.00 0.00 SOLV H ATOM 16343 H2 TIP3 4771 4.466 56.613 37.608 1.00 0.00 SOLV H ATOM 16344 OH2 TIP3 4772 13.441 56.767 37.282 1.00 0.00 SOLV O ATOM 16345 H1 TIP3 4772 13.314 56.270 38.119 1.00 0.00 SOLV H ATOM 16346 H2 TIP3 4772 14.400 56.635 37.123 1.00 0.00 SOLV H ATOM 16347 OH2 TIP3 4773 30.823 66.597 25.907 1.00 0.00 SOLV O ATOM 16348 H1 TIP3 4773 30.430 67.418 26.226 1.00 0.00 SOLV H ATOM 16349 H2 TIP3 4773 30.235 66.368 25.157 1.00 0.00 SOLV H ATOM 16350 OH2 TIP3 4774 29.852 65.802 29.566 1.00 0.00 SOLV O ATOM 16351 H1 TIP3 4774 29.969 65.349 30.429 1.00 0.00 SOLV H ATOM 16352 H2 TIP3 4774 29.414 65.106 29.045 1.00 0.00 SOLV H ATOM 16353 OH2 TIP3 4775 21.898 65.440 30.985 1.00 0.00 SOLV O ATOM 16354 H1 TIP3 4775 21.876 64.563 31.413 1.00 0.00 SOLV H ATOM 16355 H2 TIP3 4775 22.643 65.834 31.463 1.00 0.00 SOLV H ATOM 16356 OH2 TIP3 4776 32.903 68.282 27.985 1.00 0.00 SOLV O ATOM 16357 H1 TIP3 4776 32.707 67.352 28.160 1.00 0.00 SOLV H ATOM 16358 H2 TIP3 4776 33.614 68.451 28.622 1.00 0.00 SOLV H ATOM 16359 OH2 TIP3 4777 19.794 63.331 24.563 1.00 0.00 SOLV O ATOM 16360 H1 TIP3 4777 19.393 64.147 24.909 1.00 0.00 SOLV H ATOM 16361 H2 TIP3 4777 19.177 63.129 23.836 1.00 0.00 SOLV H ATOM 16362 OH2 TIP3 4778 20.276 65.651 27.320 1.00 0.00 SOLV O ATOM 16363 H1 TIP3 4778 20.530 64.727 27.549 1.00 0.00 SOLV H ATOM 16364 H2 TIP3 4778 21.138 66.037 27.110 1.00 0.00 SOLV H ATOM 16365 OH2 TIP3 4779 28.225 68.035 30.134 1.00 0.00 SOLV O ATOM 16366 H1 TIP3 4779 28.700 67.257 29.776 1.00 0.00 SOLV H ATOM 16367 H2 TIP3 4779 28.934 68.353 30.738 1.00 0.00 SOLV H ATOM 16368 OH2 TIP3 4780 36.718 59.897 30.851 1.00 0.00 SOLV O ATOM 16369 H1 TIP3 4780 37.118 60.476 31.532 1.00 0.00 SOLV H ATOM 16370 H2 TIP3 4780 37.111 60.248 30.040 1.00 0.00 SOLV H ATOM 16371 OH2 TIP3 4781 31.263 62.718 29.996 1.00 0.00 SOLV O ATOM 16372 H1 TIP3 4781 31.499 61.780 30.128 1.00 0.00 SOLV H ATOM 16373 H2 TIP3 4781 31.153 62.745 29.026 1.00 0.00 SOLV H ATOM 16374 OH2 TIP3 4782 24.690 60.784 27.360 1.00 0.00 SOLV O ATOM 16375 H1 TIP3 4782 24.762 61.642 26.891 1.00 0.00 SOLV H ATOM 16376 H2 TIP3 4782 24.206 60.261 26.685 1.00 0.00 SOLV H ATOM 16377 OH2 TIP3 4783 32.460 61.082 25.621 1.00 0.00 SOLV O ATOM 16378 H1 TIP3 4783 32.934 60.709 26.401 1.00 0.00 SOLV H ATOM 16379 H2 TIP3 4783 33.212 61.456 25.122 1.00 0.00 SOLV H ATOM 16380 OH2 TIP3 4784 21.074 63.167 28.042 1.00 0.00 SOLV O ATOM 16381 H1 TIP3 4784 21.730 62.752 28.635 1.00 0.00 SOLV H ATOM 16382 H2 TIP3 4784 21.366 62.789 27.184 1.00 0.00 SOLV H ATOM 16383 OH2 TIP3 4785 26.055 64.647 27.609 1.00 0.00 SOLV O ATOM 16384 H1 TIP3 4785 26.917 64.256 27.871 1.00 0.00 SOLV H ATOM 16385 H2 TIP3 4785 25.705 63.969 26.993 1.00 0.00 SOLV H ATOM 16386 OH2 TIP3 4786 37.416 61.479 33.043 1.00 0.00 SOLV O ATOM 16387 H1 TIP3 4786 36.672 62.071 32.808 1.00 0.00 SOLV H ATOM 16388 H2 TIP3 4786 37.480 61.623 34.002 1.00 0.00 SOLV H ATOM 16389 OH2 TIP3 4787 23.343 59.801 31.439 1.00 0.00 SOLV O ATOM 16390 H1 TIP3 4787 23.041 60.415 30.743 1.00 0.00 SOLV H ATOM 16391 H2 TIP3 4787 22.631 59.924 32.102 1.00 0.00 SOLV H ATOM 16392 OH2 TIP3 4788 25.891 67.503 31.368 1.00 0.00 SOLV O ATOM 16393 H1 TIP3 4788 25.274 68.192 31.069 1.00 0.00 SOLV H ATOM 16394 H2 TIP3 4788 26.734 67.805 30.959 1.00 0.00 SOLV H ATOM 16395 OH2 TIP3 4789 33.746 60.455 27.933 1.00 0.00 SOLV O ATOM 16396 H1 TIP3 4789 33.200 60.040 28.618 1.00 0.00 SOLV H ATOM 16397 H2 TIP3 4789 34.299 61.061 28.470 1.00 0.00 SOLV H ATOM 16398 OH2 TIP3 4790 22.924 61.562 29.338 1.00 0.00 SOLV O ATOM 16399 H1 TIP3 4790 23.527 62.107 29.894 1.00 0.00 SOLV H ATOM 16400 H2 TIP3 4790 23.566 61.234 28.667 1.00 0.00 SOLV H ATOM 16401 OH2 TIP3 4791 34.258 58.923 31.591 1.00 0.00 SOLV O ATOM 16402 H1 TIP3 4791 33.601 59.468 31.132 1.00 0.00 SOLV H ATOM 16403 H2 TIP3 4791 35.106 59.272 31.229 1.00 0.00 SOLV H ATOM 16404 OH2 TIP3 4792 27.023 56.886 28.931 1.00 0.00 SOLV O ATOM 16405 H1 TIP3 4792 26.668 55.971 28.906 1.00 0.00 SOLV H ATOM 16406 H2 TIP3 4792 26.243 57.357 29.297 1.00 0.00 SOLV H ATOM 16407 OH2 TIP3 4793 29.594 65.833 23.592 1.00 0.00 SOLV O ATOM 16408 H1 TIP3 4793 28.916 66.464 23.250 1.00 0.00 SOLV H ATOM 16409 H2 TIP3 4793 30.249 65.855 22.869 1.00 0.00 SOLV H ATOM 16410 OH2 TIP3 4794 29.616 64.554 20.175 1.00 0.00 SOLV O ATOM 16411 H1 TIP3 4794 30.193 64.841 20.909 1.00 0.00 SOLV H ATOM 16412 H2 TIP3 4794 30.220 63.933 19.718 1.00 0.00 SOLV H ATOM 16413 OH2 TIP3 4795 36.834 65.363 31.821 1.00 0.00 SOLV O ATOM 16414 H1 TIP3 4795 36.122 66.035 31.881 1.00 0.00 SOLV H ATOM 16415 H2 TIP3 4795 37.373 65.738 31.090 1.00 0.00 SOLV H ATOM 16416 OH2 TIP3 4796 32.917 65.598 24.403 1.00 0.00 SOLV O ATOM 16417 H1 TIP3 4796 32.252 65.924 25.049 1.00 0.00 SOLV H ATOM 16418 H2 TIP3 4796 33.626 65.275 24.997 1.00 0.00 SOLV H ATOM 16419 OH2 TIP3 4797 32.767 64.114 33.642 1.00 0.00 SOLV O ATOM 16420 H1 TIP3 4797 32.737 64.780 34.361 1.00 0.00 SOLV H ATOM 16421 H2 TIP3 4797 32.100 64.476 33.029 1.00 0.00 SOLV H ATOM 16422 OH2 TIP3 4798 24.376 66.540 26.462 1.00 0.00 SOLV O ATOM 16423 H1 TIP3 4798 24.154 66.195 25.569 1.00 0.00 SOLV H ATOM 16424 H2 TIP3 4798 24.976 65.845 26.808 1.00 0.00 SOLV H ATOM 16425 OH2 TIP3 4799 24.757 65.445 29.882 1.00 0.00 SOLV O ATOM 16426 H1 TIP3 4799 25.279 65.240 29.075 1.00 0.00 SOLV H ATOM 16427 H2 TIP3 4799 25.317 66.100 30.341 1.00 0.00 SOLV H ATOM 16428 OH2 TIP3 4800 31.711 65.360 21.894 1.00 0.00 SOLV O ATOM 16429 H1 TIP3 4800 32.242 65.672 22.659 1.00 0.00 SOLV H ATOM 16430 H2 TIP3 4800 32.261 65.698 21.145 1.00 0.00 SOLV H ATOM 16431 OH2 TIP3 4801 22.879 65.808 33.814 1.00 0.00 SOLV O ATOM 16432 H1 TIP3 4801 23.016 66.498 34.504 1.00 0.00 SOLV H ATOM 16433 H2 TIP3 4801 21.899 65.750 33.837 1.00 0.00 SOLV H ATOM 16434 OH2 TIP3 4802 35.485 56.893 21.823 1.00 0.00 SOLV O ATOM 16435 H1 TIP3 4802 34.628 57.228 22.154 1.00 0.00 SOLV H ATOM 16436 H2 TIP3 4802 35.910 57.733 21.539 1.00 0.00 SOLV H ATOM 16437 OH2 TIP3 4803 23.502 65.817 23.892 1.00 0.00 SOLV O ATOM 16438 H1 TIP3 4803 22.994 66.429 23.318 1.00 0.00 SOLV H ATOM 16439 H2 TIP3 4803 23.163 64.958 23.614 1.00 0.00 SOLV H ATOM 16440 OH2 TIP3 4804 19.432 68.074 32.725 1.00 0.00 SOLV O ATOM 16441 H1 TIP3 4804 19.097 68.019 31.814 1.00 0.00 SOLV H ATOM 16442 H2 TIP3 4804 19.816 67.188 32.871 1.00 0.00 SOLV H ATOM 16443 OH2 TIP3 4805 34.662 62.968 35.776 1.00 0.00 SOLV O ATOM 16444 H1 TIP3 4805 33.953 63.278 35.193 1.00 0.00 SOLV H ATOM 16445 H2 TIP3 4805 34.720 62.023 35.523 1.00 0.00 SOLV H ATOM 16446 OH2 TIP3 4806 24.541 57.887 29.818 1.00 0.00 SOLV O ATOM 16447 H1 TIP3 4806 23.762 57.852 29.226 1.00 0.00 SOLV H ATOM 16448 H2 TIP3 4806 24.252 58.604 30.421 1.00 0.00 SOLV H ATOM 16449 OH2 TIP3 4807 29.338 57.499 33.136 1.00 0.00 SOLV O ATOM 16450 H1 TIP3 4807 29.795 57.034 33.868 1.00 0.00 SOLV H ATOM 16451 H2 TIP3 4807 28.398 57.440 33.399 1.00 0.00 SOLV H ATOM 16452 OH2 TIP3 4808 32.281 61.407 33.905 1.00 0.00 SOLV O ATOM 16453 H1 TIP3 4808 31.592 61.328 34.605 1.00 0.00 SOLV H ATOM 16454 H2 TIP3 4808 32.328 62.374 33.764 1.00 0.00 SOLV H ATOM 16455 OH2 TIP3 4809 33.179 66.024 19.713 1.00 0.00 SOLV O ATOM 16456 H1 TIP3 4809 33.161 66.011 18.738 1.00 0.00 SOLV H ATOM 16457 H2 TIP3 4809 34.059 66.426 19.876 1.00 0.00 SOLV H ATOM 16458 OH2 TIP3 4810 28.791 60.028 20.520 1.00 0.00 SOLV O ATOM 16459 H1 TIP3 4810 28.195 59.894 21.284 1.00 0.00 SOLV H ATOM 16460 H2 TIP3 4810 28.393 59.395 19.891 1.00 0.00 SOLV H ATOM 16461 OH2 TIP3 4811 24.589 62.980 31.000 1.00 0.00 SOLV O ATOM 16462 H1 TIP3 4811 23.909 63.089 31.698 1.00 0.00 SOLV H ATOM 16463 H2 TIP3 4811 24.636 63.895 30.641 1.00 0.00 SOLV H ATOM 16464 OH2 TIP3 4812 24.651 63.045 25.865 1.00 0.00 SOLV O ATOM 16465 H1 TIP3 4812 23.679 62.928 25.786 1.00 0.00 SOLV H ATOM 16466 H2 TIP3 4812 24.925 62.790 24.955 1.00 0.00 SOLV H ATOM 16467 OH2 TIP3 4813 30.145 63.366 24.697 1.00 0.00 SOLV O ATOM 16468 H1 TIP3 4813 29.948 64.257 24.332 1.00 0.00 SOLV H ATOM 16469 H2 TIP3 4813 30.856 63.067 24.093 1.00 0.00 SOLV H ATOM 16470 OH2 TIP3 4814 29.254 63.604 35.834 1.00 0.00 SOLV O ATOM 16471 H1 TIP3 4814 28.791 62.831 36.232 1.00 0.00 SOLV H ATOM 16472 H2 TIP3 4814 30.078 63.600 36.358 1.00 0.00 SOLV H ATOM 16473 OH2 TIP3 4815 31.040 62.870 27.272 1.00 0.00 SOLV O ATOM 16474 H1 TIP3 4815 30.619 63.357 26.530 1.00 0.00 SOLV H ATOM 16475 H2 TIP3 4815 31.448 62.153 26.741 1.00 0.00 SOLV H ATOM 16476 OH2 TIP3 4816 22.321 63.116 32.555 1.00 0.00 SOLV O ATOM 16477 H1 TIP3 4816 22.488 63.601 33.378 1.00 0.00 SOLV H ATOM 16478 H2 TIP3 4816 21.976 62.261 32.881 1.00 0.00 SOLV H ATOM 16479 OH2 TIP3 4817 25.620 60.553 19.338 1.00 0.00 SOLV O ATOM 16480 H1 TIP3 4817 25.236 60.402 20.224 1.00 0.00 SOLV H ATOM 16481 H2 TIP3 4817 25.044 61.272 19.013 1.00 0.00 SOLV H ATOM 16482 OH2 TIP3 4818 18.946 60.087 26.586 1.00 0.00 SOLV O ATOM 16483 H1 TIP3 4818 19.525 60.207 27.366 1.00 0.00 SOLV H ATOM 16484 H2 TIP3 4818 19.573 59.962 25.861 1.00 0.00 SOLV H ATOM 16485 OH2 TIP3 4819 19.745 60.951 21.843 1.00 0.00 SOLV O ATOM 16486 H1 TIP3 4819 20.442 61.363 21.285 1.00 0.00 SOLV H ATOM 16487 H2 TIP3 4819 19.229 61.751 22.059 1.00 0.00 SOLV H ATOM 16488 OH2 TIP3 4820 30.319 64.412 31.860 1.00 0.00 SOLV O ATOM 16489 H1 TIP3 4820 30.731 63.774 31.231 1.00 0.00 SOLV H ATOM 16490 H2 TIP3 4820 29.744 63.799 32.367 1.00 0.00 SOLV H ATOM 16491 OH2 TIP3 4821 27.494 60.475 26.779 1.00 0.00 SOLV O ATOM 16492 H1 TIP3 4821 26.592 60.542 27.150 1.00 0.00 SOLV H ATOM 16493 H2 TIP3 4821 28.000 60.113 27.531 1.00 0.00 SOLV H ATOM 16494 OH2 TIP3 4822 22.046 62.226 25.646 1.00 0.00 SOLV O ATOM 16495 H1 TIP3 4822 21.249 62.518 25.142 1.00 0.00 SOLV H ATOM 16496 H2 TIP3 4822 22.218 61.334 25.287 1.00 0.00 SOLV H ATOM 16497 OH2 TIP3 4823 25.301 62.211 23.361 1.00 0.00 SOLV O ATOM 16498 H1 TIP3 4823 26.275 62.212 23.431 1.00 0.00 SOLV H ATOM 16499 H2 TIP3 4823 25.140 62.661 22.498 1.00 0.00 SOLV H ATOM 16500 OH2 TIP3 4824 31.617 59.973 30.031 1.00 0.00 SOLV O ATOM 16501 H1 TIP3 4824 31.147 59.962 30.898 1.00 0.00 SOLV H ATOM 16502 H2 TIP3 4824 30.920 59.613 29.456 1.00 0.00 SOLV H ATOM 16503 OH2 TIP3 4825 24.711 63.264 20.937 1.00 0.00 SOLV O ATOM 16504 H1 TIP3 4825 24.147 63.055 20.170 1.00 0.00 SOLV H ATOM 16505 H2 TIP3 4825 25.476 63.687 20.491 1.00 0.00 SOLV H ATOM 16506 OH2 TIP3 4826 22.984 67.521 35.932 1.00 0.00 SOLV O ATOM 16507 H1 TIP3 4826 23.482 67.472 36.773 1.00 0.00 SOLV H ATOM 16508 H2 TIP3 4826 22.094 67.738 36.274 1.00 0.00 SOLV H ATOM 16509 OH2 TIP3 4827 28.325 63.426 28.683 1.00 0.00 SOLV O ATOM 16510 H1 TIP3 4827 29.085 62.947 28.319 1.00 0.00 SOLV H ATOM 16511 H2 TIP3 4827 28.019 62.824 29.391 1.00 0.00 SOLV H ATOM 16512 OH2 TIP3 4828 23.248 59.601 25.277 1.00 0.00 SOLV O ATOM 16513 H1 TIP3 4828 22.654 58.851 25.506 1.00 0.00 SOLV H ATOM 16514 H2 TIP3 4828 23.760 59.214 24.555 1.00 0.00 SOLV H ATOM 16515 OH2 TIP3 4829 27.194 62.025 31.059 1.00 0.00 SOLV O ATOM 16516 H1 TIP3 4829 26.318 62.459 31.126 1.00 0.00 SOLV H ATOM 16517 H2 TIP3 4829 27.670 62.368 31.843 1.00 0.00 SOLV H ATOM 16518 OH2 TIP3 4830 27.701 67.553 22.717 1.00 0.00 SOLV O ATOM 16519 H1 TIP3 4830 26.918 67.395 22.165 1.00 0.00 SOLV H ATOM 16520 H2 TIP3 4830 27.282 67.765 23.581 1.00 0.00 SOLV H ATOM 16521 OH2 TIP3 4831 34.776 67.253 31.620 1.00 0.00 SOLV O ATOM 16522 H1 TIP3 4831 35.331 67.805 31.034 1.00 0.00 SOLV H ATOM 16523 H2 TIP3 4831 34.048 66.965 31.031 1.00 0.00 SOLV H ATOM 16524 OH2 TIP3 4832 31.381 60.528 21.191 1.00 0.00 SOLV O ATOM 16525 H1 TIP3 4832 30.425 60.534 20.950 1.00 0.00 SOLV H ATOM 16526 H2 TIP3 4832 31.517 61.407 21.600 1.00 0.00 SOLV H ATOM 16527 OH2 TIP3 4833 29.487 67.876 34.405 1.00 0.00 SOLV O ATOM 16528 H1 TIP3 4833 29.797 67.383 35.195 1.00 0.00 SOLV H ATOM 16529 H2 TIP3 4833 28.638 68.203 34.729 1.00 0.00 SOLV H ATOM 16530 OH2 TIP3 4834 32.119 62.716 22.816 1.00 0.00 SOLV O ATOM 16531 H1 TIP3 4834 33.020 62.598 23.173 1.00 0.00 SOLV H ATOM 16532 H2 TIP3 4834 32.155 63.631 22.475 1.00 0.00 SOLV H ATOM 16533 OH2 TIP3 4835 22.700 67.323 28.484 1.00 0.00 SOLV O ATOM 16534 H1 TIP3 4835 23.373 67.120 27.798 1.00 0.00 SOLV H ATOM 16535 H2 TIP3 4835 22.933 66.678 29.172 1.00 0.00 SOLV H ATOM 16536 OH2 TIP3 4836 20.145 65.520 33.879 1.00 0.00 SOLV O ATOM 16537 H1 TIP3 4836 20.000 65.195 34.791 1.00 0.00 SOLV H ATOM 16538 H2 TIP3 4836 19.393 65.099 33.431 1.00 0.00 SOLV H ATOM 16539 OH2 TIP3 4837 27.112 65.361 36.099 1.00 0.00 SOLV O ATOM 16540 H1 TIP3 4837 26.524 64.885 35.491 1.00 0.00 SOLV H ATOM 16541 H2 TIP3 4837 27.967 64.906 35.928 1.00 0.00 SOLV H ATOM 16542 OH2 TIP3 4838 36.823 62.993 22.535 1.00 0.00 SOLV O ATOM 16543 H1 TIP3 4838 36.373 62.792 21.680 1.00 0.00 SOLV H ATOM 16544 H2 TIP3 4838 36.979 63.952 22.339 1.00 0.00 SOLV H ATOM 16545 OH2 TIP3 4839 37.222 68.494 35.174 1.00 0.00 SOLV O ATOM 16546 H1 TIP3 4839 36.556 69.149 34.871 1.00 0.00 SOLV H ATOM 16547 H2 TIP3 4839 37.668 68.336 34.308 1.00 0.00 SOLV H ATOM 16548 OH2 TIP3 4840 32.635 66.269 29.965 1.00 0.00 SOLV O ATOM 16549 H1 TIP3 4840 31.673 66.232 29.789 1.00 0.00 SOLV H ATOM 16550 H2 TIP3 4840 32.937 65.477 29.473 1.00 0.00 SOLV H ATOM 16551 OH2 TIP3 4841 21.058 65.453 20.654 1.00 0.00 SOLV O ATOM 16552 H1 TIP3 4841 21.479 66.195 21.142 1.00 0.00 SOLV H ATOM 16553 H2 TIP3 4841 20.129 65.536 20.972 1.00 0.00 SOLV H ATOM 16554 OH2 TIP3 4842 26.439 67.951 25.099 1.00 0.00 SOLV O ATOM 16555 H1 TIP3 4842 26.350 68.875 25.402 1.00 0.00 SOLV H ATOM 16556 H2 TIP3 4842 25.812 67.498 25.685 1.00 0.00 SOLV H ATOM 16557 OH2 TIP3 4843 30.408 68.117 31.770 1.00 0.00 SOLV O ATOM 16558 H1 TIP3 4843 30.229 67.750 32.657 1.00 0.00 SOLV H ATOM 16559 H2 TIP3 4843 31.255 67.713 31.537 1.00 0.00 SOLV H ATOM 16560 OH2 TIP3 4844 21.307 60.490 33.219 1.00 0.00 SOLV O ATOM 16561 H1 TIP3 4844 20.352 60.672 33.140 1.00 0.00 SOLV H ATOM 16562 H2 TIP3 4844 21.325 59.846 33.947 1.00 0.00 SOLV H ATOM 16563 OH2 TIP3 4845 33.694 67.764 22.947 1.00 0.00 SOLV O ATOM 16564 H1 TIP3 4845 33.601 66.986 23.528 1.00 0.00 SOLV H ATOM 16565 H2 TIP3 4845 34.659 67.771 22.782 1.00 0.00 SOLV H ATOM 16566 OH2 TIP3 4846 22.251 67.495 22.037 1.00 0.00 SOLV O ATOM 16567 H1 TIP3 4846 21.669 68.294 22.035 1.00 0.00 SOLV H ATOM 16568 H2 TIP3 4846 23.020 67.832 21.559 1.00 0.00 SOLV H ATOM 16569 OH2 TIP3 4847 30.331 60.016 32.436 1.00 0.00 SOLV O ATOM 16570 H1 TIP3 4847 31.004 60.247 33.102 1.00 0.00 SOLV H ATOM 16571 H2 TIP3 4847 29.973 59.169 32.776 1.00 0.00 SOLV H ATOM 16572 OH2 TIP3 4848 31.073 59.417 23.803 1.00 0.00 SOLV O ATOM 16573 H1 TIP3 4848 31.203 59.826 22.923 1.00 0.00 SOLV H ATOM 16574 H2 TIP3 4848 31.493 60.080 24.394 1.00 0.00 SOLV H ATOM 16575 OH2 TIP3 4849 27.929 61.749 24.357 1.00 0.00 SOLV O ATOM 16576 H1 TIP3 4849 28.700 62.342 24.496 1.00 0.00 SOLV H ATOM 16577 H2 TIP3 4849 27.779 61.423 25.270 1.00 0.00 SOLV H ATOM 16578 OH2 TIP3 4850 28.866 62.603 33.266 1.00 0.00 SOLV O ATOM 16579 H1 TIP3 4850 28.990 62.920 34.188 1.00 0.00 SOLV H ATOM 16580 H2 TIP3 4850 29.209 61.695 33.318 1.00 0.00 SOLV H ATOM 16581 OH2 TIP3 4851 28.691 58.458 24.898 1.00 0.00 SOLV O ATOM 16582 H1 TIP3 4851 28.543 59.137 25.583 1.00 0.00 SOLV H ATOM 16583 H2 TIP3 4851 29.551 58.766 24.524 1.00 0.00 SOLV H ATOM 16584 OH2 TIP3 4852 24.684 59.939 21.867 1.00 0.00 SOLV O ATOM 16585 H1 TIP3 4852 24.658 60.730 22.441 1.00 0.00 SOLV H ATOM 16586 H2 TIP3 4852 25.568 59.593 22.119 1.00 0.00 SOLV H ATOM 16587 OH2 TIP3 4853 34.777 60.526 34.447 1.00 0.00 SOLV O ATOM 16588 H1 TIP3 4853 33.822 60.672 34.266 1.00 0.00 SOLV H ATOM 16589 H2 TIP3 4853 35.072 60.216 33.581 1.00 0.00 SOLV H ATOM 16590 OH2 TIP3 4854 33.401 64.162 28.327 1.00 0.00 SOLV O ATOM 16591 H1 TIP3 4854 32.578 63.708 28.066 1.00 0.00 SOLV H ATOM 16592 H2 TIP3 4854 33.873 63.463 28.833 1.00 0.00 SOLV H ATOM 16593 OH2 TIP3 4855 20.989 62.755 20.224 1.00 0.00 SOLV O ATOM 16594 H1 TIP3 4855 21.194 63.666 20.517 1.00 0.00 SOLV H ATOM 16595 H2 TIP3 4855 20.441 62.927 19.450 1.00 0.00 SOLV H ATOM 16596 OH2 TIP3 4856 22.027 57.698 28.633 1.00 0.00 SOLV O ATOM 16597 H1 TIP3 4856 21.932 57.592 27.662 1.00 0.00 SOLV H ATOM 16598 H2 TIP3 4856 21.668 56.851 28.964 1.00 0.00 SOLV H ATOM 16599 OH2 TIP3 4857 20.403 67.857 36.881 1.00 0.00 SOLV O ATOM 16600 H1 TIP3 4857 20.400 66.888 36.989 1.00 0.00 SOLV H ATOM 16601 H2 TIP3 4857 19.616 68.000 36.314 1.00 0.00 SOLV H ATOM 16602 OH2 TIP3 4858 24.466 67.782 19.386 1.00 0.00 SOLV O ATOM 16603 H1 TIP3 4858 24.783 67.298 20.181 1.00 0.00 SOLV H ATOM 16604 H2 TIP3 4858 25.286 67.786 18.841 1.00 0.00 SOLV H ATOM 16605 OH2 TIP3 4859 26.541 68.086 36.408 1.00 0.00 SOLV O ATOM 16606 H1 TIP3 4859 26.222 68.152 35.500 1.00 0.00 SOLV H ATOM 16607 H2 TIP3 4859 26.928 67.185 36.416 1.00 0.00 SOLV H ATOM 16608 OH2 TIP3 4860 32.508 67.933 34.136 1.00 0.00 SOLV O ATOM 16609 H1 TIP3 4860 33.236 68.368 33.671 1.00 0.00 SOLV H ATOM 16610 H2 TIP3 4860 31.805 68.595 34.117 1.00 0.00 SOLV H ATOM 16611 OH2 TIP3 4861 21.139 65.064 36.787 1.00 0.00 SOLV O ATOM 16612 H1 TIP3 4861 21.965 64.590 36.631 1.00 0.00 SOLV H ATOM 16613 H2 TIP3 4861 21.182 65.205 37.758 1.00 0.00 SOLV H ATOM 16614 OH2 TIP3 4862 25.447 66.412 21.502 1.00 0.00 SOLV O ATOM 16615 H1 TIP3 4862 25.112 65.958 22.292 1.00 0.00 SOLV H ATOM 16616 H2 TIP3 4862 25.963 65.705 21.057 1.00 0.00 SOLV H ATOM 16617 OH2 TIP3 4863 25.006 64.120 34.021 1.00 0.00 SOLV O ATOM 16618 H1 TIP3 4863 24.313 64.804 33.897 1.00 0.00 SOLV H ATOM 16619 H2 TIP3 4863 25.752 64.510 33.508 1.00 0.00 SOLV H ATOM 16620 OH2 TIP3 4864 26.862 64.602 19.923 1.00 0.00 SOLV O ATOM 16621 H1 TIP3 4864 26.918 64.894 18.989 1.00 0.00 SOLV H ATOM 16622 H2 TIP3 4864 27.816 64.456 20.112 1.00 0.00 SOLV H ATOM 16623 OH2 TIP3 4865 30.003 66.587 36.928 1.00 0.00 SOLV O ATOM 16624 H1 TIP3 4865 30.924 66.548 37.211 1.00 0.00 SOLV H ATOM 16625 H2 TIP3 4865 29.579 66.050 37.622 1.00 0.00 SOLV H ATOM 16626 OH2 TIP3 4866 35.812 67.038 19.558 1.00 0.00 SOLV O ATOM 16627 H1 TIP3 4866 35.859 67.019 18.586 1.00 0.00 SOLV H ATOM 16628 H2 TIP3 4866 36.038 67.963 19.769 1.00 0.00 SOLV H ATOM 16629 OH2 TIP3 4867 25.504 61.656 34.988 1.00 0.00 SOLV O ATOM 16630 H1 TIP3 4867 25.606 61.041 34.236 1.00 0.00 SOLV H ATOM 16631 H2 TIP3 4867 25.347 62.515 34.531 1.00 0.00 SOLV H ATOM 16632 OH2 TIP3 4868 25.805 59.979 32.679 1.00 0.00 SOLV O ATOM 16633 H1 TIP3 4868 26.355 60.481 32.050 1.00 0.00 SOLV H ATOM 16634 H2 TIP3 4868 24.934 59.976 32.230 1.00 0.00 SOLV H ATOM 16635 OH2 TIP3 4869 27.018 65.308 32.745 1.00 0.00 SOLV O ATOM 16636 H1 TIP3 4869 27.980 65.372 32.684 1.00 0.00 SOLV H ATOM 16637 H2 TIP3 4869 26.708 66.121 32.302 1.00 0.00 SOLV H ATOM 16638 OH2 TIP3 4870 31.461 63.129 37.597 1.00 0.00 SOLV O ATOM 16639 H1 TIP3 4870 31.755 62.219 37.761 1.00 0.00 SOLV H ATOM 16640 H2 TIP3 4870 32.300 63.609 37.552 1.00 0.00 SOLV H ATOM 16641 OH2 TIP3 4871 33.032 65.881 35.806 1.00 0.00 SOLV O ATOM 16642 H1 TIP3 4871 32.742 66.657 35.272 1.00 0.00 SOLV H ATOM 16643 H2 TIP3 4871 34.009 66.001 35.755 1.00 0.00 SOLV H ATOM 16644 OH2 TIP3 4872 23.828 62.413 37.134 1.00 0.00 SOLV O ATOM 16645 H1 TIP3 4872 23.061 61.820 37.001 1.00 0.00 SOLV H ATOM 16646 H2 TIP3 4872 24.361 62.223 36.334 1.00 0.00 SOLV H ATOM 16647 OH2 TIP3 4873 26.492 57.256 33.173 1.00 0.00 SOLV O ATOM 16648 H1 TIP3 4873 26.218 58.182 33.010 1.00 0.00 SOLV H ATOM 16649 H2 TIP3 4873 25.772 56.758 32.737 1.00 0.00 SOLV H ATOM 16650 OH2 TIP3 4874 27.804 61.449 36.592 1.00 0.00 SOLV O ATOM 16651 H1 TIP3 4874 27.481 60.990 37.388 1.00 0.00 SOLV H ATOM 16652 H2 TIP3 4874 26.983 61.451 36.057 1.00 0.00 SOLV H ATOM 16653 OH2 TIP3 4875 30.364 60.728 35.654 1.00 0.00 SOLV O ATOM 16654 H1 TIP3 4875 29.493 60.779 36.098 1.00 0.00 SOLV H ATOM 16655 H2 TIP3 4875 30.902 60.244 36.315 1.00 0.00 SOLV H ATOM 16656 OH2 TIP3 4876 32.131 59.577 37.486 1.00 0.00 SOLV O ATOM 16657 H1 TIP3 4876 32.101 58.598 37.415 1.00 0.00 SOLV H ATOM 16658 H2 TIP3 4876 31.874 59.723 38.421 1.00 0.00 SOLV H ATOM 16659 OH2 TIP3 4877 21.840 60.457 36.811 1.00 0.00 SOLV O ATOM 16660 H1 TIP3 4877 21.854 59.611 36.327 1.00 0.00 SOLV H ATOM 16661 H2 TIP3 4877 21.970 60.139 37.730 1.00 0.00 SOLV H ATOM 16662 OH2 TIP3 4878 26.557 56.631 35.878 1.00 0.00 SOLV O ATOM 16663 H1 TIP3 4878 27.113 55.829 35.830 1.00 0.00 SOLV H ATOM 16664 H2 TIP3 4878 26.490 56.864 34.931 1.00 0.00 SOLV H ATOM 16665 OH2 TIP3 4879 27.496 58.627 37.589 1.00 0.00 SOLV O ATOM 16666 H1 TIP3 4879 27.226 57.883 37.016 1.00 0.00 SOLV H ATOM 16667 H2 TIP3 4879 26.653 59.110 37.701 1.00 0.00 SOLV H ATOM 16668 OH2 TIP3 4880 36.545 67.523 23.312 1.00 0.00 SOLV O ATOM 16669 H1 TIP3 4880 37.279 68.117 23.102 1.00 0.00 SOLV H ATOM 16670 H2 TIP3 4880 36.888 66.993 24.065 1.00 0.00 SOLV H ATOM 16671 OH2 TIP3 4881 37.173 65.716 25.342 1.00 0.00 SOLV O ATOM 16672 H1 TIP3 4881 36.323 65.314 25.626 1.00 0.00 SOLV H ATOM 16673 H2 TIP3 4881 37.673 65.763 26.181 1.00 0.00 SOLV H ATOM 16674 OH2 TIP3 4882 36.787 68.607 30.403 1.00 0.00 SOLV O ATOM 16675 H1 TIP3 4882 37.409 68.081 29.868 1.00 0.00 SOLV H ATOM 16676 H2 TIP3 4882 36.402 69.231 29.754 1.00 0.00 SOLV H ATOM 16677 OH2 TIP3 4883 36.907 65.480 21.554 1.00 0.00 SOLV O ATOM 16678 H1 TIP3 4883 36.627 65.902 20.720 1.00 0.00 SOLV H ATOM 16679 H2 TIP3 4883 36.763 66.225 22.169 1.00 0.00 SOLV H ATOM 16680 OH2 TIP3 4884 35.655 62.733 20.104 1.00 0.00 SOLV O ATOM 16681 H1 TIP3 4884 35.622 63.417 19.427 1.00 0.00 SOLV H ATOM 16682 H2 TIP3 4884 35.428 61.932 19.591 1.00 0.00 SOLV H ATOM 16683 OH2 TIP3 4885 34.833 64.409 25.984 1.00 0.00 SOLV O ATOM 16684 H1 TIP3 4885 34.790 63.511 25.611 1.00 0.00 SOLV H ATOM 16685 H2 TIP3 4885 34.401 64.307 26.859 1.00 0.00 SOLV H ATOM 16686 OH2 TIP3 4886 19.628 66.473 29.876 1.00 0.00 SOLV O ATOM 16687 H1 TIP3 4886 19.796 66.256 28.934 1.00 0.00 SOLV H ATOM 16688 H2 TIP3 4886 20.496 66.202 30.261 1.00 0.00 SOLV H ATOM 16689 OH2 TIP3 4887 35.697 66.326 35.730 1.00 0.00 SOLV O ATOM 16690 H1 TIP3 4887 36.307 65.569 35.597 1.00 0.00 SOLV H ATOM 16691 H2 TIP3 4887 36.226 67.074 35.381 1.00 0.00 SOLV H ATOM 16692 OH2 TIP3 4888 37.163 64.013 35.511 1.00 0.00 SOLV O ATOM 16693 H1 TIP3 4888 36.272 63.626 35.650 1.00 0.00 SOLV H ATOM 16694 H2 TIP3 4888 37.719 63.249 35.781 1.00 0.00 SOLV H ATOM 16695 OH2 TIP3 4889 34.995 60.335 18.919 1.00 0.00 SOLV O ATOM 16696 H1 TIP3 4889 35.427 59.854 19.655 1.00 0.00 SOLV H ATOM 16697 H2 TIP3 4889 34.100 59.959 18.894 1.00 0.00 SOLV H ATOM 16698 OH2 TIP3 4890 34.656 62.020 24.149 1.00 0.00 SOLV O ATOM 16699 H1 TIP3 4890 34.910 61.068 24.145 1.00 0.00 SOLV H ATOM 16700 H2 TIP3 4890 35.415 62.394 23.654 1.00 0.00 SOLV H ATOM 16701 OH2 TIP3 4891 34.927 62.273 29.615 1.00 0.00 SOLV O ATOM 16702 H1 TIP3 4891 35.889 62.416 29.456 1.00 0.00 SOLV H ATOM 16703 H2 TIP3 4891 34.914 62.440 30.579 1.00 0.00 SOLV H ATOM 16704 OH2 TIP3 4892 35.261 63.145 32.272 1.00 0.00 SOLV O ATOM 16705 H1 TIP3 4892 34.463 63.507 32.700 1.00 0.00 SOLV H ATOM 16706 H2 TIP3 4892 35.802 63.955 32.145 1.00 0.00 SOLV H ATOM 16707 OH2 TIP3 4893 19.533 61.565 35.805 1.00 0.00 SOLV O ATOM 16708 H1 TIP3 4893 20.404 61.346 36.201 1.00 0.00 SOLV H ATOM 16709 H2 TIP3 4893 19.060 60.720 35.954 1.00 0.00 SOLV H ATOM 16710 OH2 TIP3 4894 37.493 57.385 37.649 1.00 0.00 SOLV O ATOM 16711 H1 TIP3 4894 38.124 56.746 37.250 1.00 0.00 SOLV H ATOM 16712 H2 TIP3 4894 37.452 58.072 36.948 1.00 0.00 SOLV H ATOM 16713 OH2 TIP3 4895 35.189 59.304 24.222 1.00 0.00 SOLV O ATOM 16714 H1 TIP3 4895 35.389 58.872 25.079 1.00 0.00 SOLV H ATOM 16715 H2 TIP3 4895 34.499 58.705 23.869 1.00 0.00 SOLV H ATOM 16716 OH2 TIP3 4896 20.545 60.052 28.851 1.00 0.00 SOLV O ATOM 16717 H1 TIP3 4896 21.010 59.192 28.872 1.00 0.00 SOLV H ATOM 16718 H2 TIP3 4896 21.275 60.659 29.062 1.00 0.00 SOLV H ATOM 16719 OH2 TIP3 4897 18.743 62.890 29.630 1.00 0.00 SOLV O ATOM 16720 H1 TIP3 4897 19.499 62.960 29.014 1.00 0.00 SOLV H ATOM 16721 H2 TIP3 4897 19.007 63.479 30.346 1.00 0.00 SOLV H ATOM 16722 OH2 TIP3 4898 36.894 59.241 35.763 1.00 0.00 SOLV O ATOM 16723 H1 TIP3 4898 36.096 59.795 35.881 1.00 0.00 SOLV H ATOM 16724 H2 TIP3 4898 36.616 58.710 34.991 1.00 0.00 SOLV H ATOM 16725 OH2 TIP3 4899 36.721 59.113 20.808 1.00 0.00 SOLV O ATOM 16726 H1 TIP3 4899 37.226 58.544 20.193 1.00 0.00 SOLV H ATOM 16727 H2 TIP3 4899 37.418 59.724 21.135 1.00 0.00 SOLV H ATOM 16728 OH2 TIP3 4900 19.368 59.053 23.740 1.00 0.00 SOLV O ATOM 16729 H1 TIP3 4900 18.404 59.116 23.845 1.00 0.00 SOLV H ATOM 16730 H2 TIP3 4900 19.551 59.809 23.143 1.00 0.00 SOLV H ATOM 16731 OH2 TIP3 4901 19.309 57.772 32.077 1.00 0.00 SOLV O ATOM 16732 H1 TIP3 4901 18.654 57.782 32.795 1.00 0.00 SOLV H ATOM 16733 H2 TIP3 4901 18.943 58.463 31.489 1.00 0.00 SOLV H ATOM 16734 OH2 TIP3 4902 35.886 57.350 33.918 1.00 0.00 SOLV O ATOM 16735 H1 TIP3 4902 35.137 57.450 33.308 1.00 0.00 SOLV H ATOM 16736 H2 TIP3 4902 36.202 56.444 33.691 1.00 0.00 SOLV H ATOM 16737 OH2 TIP3 4903 29.299 58.818 28.284 1.00 0.00 SOLV O ATOM 16738 H1 TIP3 4903 28.717 58.067 28.491 1.00 0.00 SOLV H ATOM 16739 H2 TIP3 4903 30.106 58.377 27.948 1.00 0.00 SOLV H ATOM 16740 OH2 TIP3 4904 34.322 56.801 28.273 1.00 0.00 SOLV O ATOM 16741 H1 TIP3 4904 34.978 57.381 27.827 1.00 0.00 SOLV H ATOM 16742 H2 TIP3 4904 33.497 57.292 28.117 1.00 0.00 SOLV H ATOM 16743 OH2 TIP3 4905 36.063 58.037 26.539 1.00 0.00 SOLV O ATOM 16744 H1 TIP3 4905 36.782 57.440 26.237 1.00 0.00 SOLV H ATOM 16745 H2 TIP3 4905 36.607 58.823 26.772 1.00 0.00 SOLV H ATOM 16746 OH2 TIP3 4906 21.706 57.420 25.888 1.00 0.00 SOLV O ATOM 16747 H1 TIP3 4906 20.764 57.272 25.649 1.00 0.00 SOLV H ATOM 16748 H2 TIP3 4906 22.059 56.515 25.749 1.00 0.00 SOLV H ATOM 16749 OH2 TIP3 4907 20.550 57.285 21.889 1.00 0.00 SOLV O ATOM 16750 H1 TIP3 4907 21.091 57.911 21.378 1.00 0.00 SOLV H ATOM 16751 H2 TIP3 4907 20.191 57.858 22.600 1.00 0.00 SOLV H ATOM 16752 OH2 TIP3 4908 26.399 57.062 25.976 1.00 0.00 SOLV O ATOM 16753 H1 TIP3 4908 27.132 57.536 25.549 1.00 0.00 SOLV H ATOM 16754 H2 TIP3 4908 26.574 57.222 26.916 1.00 0.00 SOLV H ATOM 16755 OH2 TIP3 4909 31.686 57.630 27.371 1.00 0.00 SOLV O ATOM 16756 H1 TIP3 4909 31.972 57.427 26.472 1.00 0.00 SOLV H ATOM 16757 H2 TIP3 4909 31.351 56.755 27.677 1.00 0.00 SOLV H ATOM 16758 OH2 TIP3 4910 33.173 57.650 23.227 1.00 0.00 SOLV O ATOM 16759 H1 TIP3 4910 32.378 58.203 23.357 1.00 0.00 SOLV H ATOM 16760 H2 TIP3 4910 32.791 56.754 23.339 1.00 0.00 SOLV H ATOM 16761 OH2 TIP3 4911 22.537 58.987 20.233 1.00 0.00 SOLV O ATOM 16762 H1 TIP3 4911 23.055 58.410 19.638 1.00 0.00 SOLV H ATOM 16763 H2 TIP3 4911 23.228 59.298 20.853 1.00 0.00 SOLV H ATOM 16764 OH2 TIP3 4912 27.280 59.616 22.780 1.00 0.00 SOLV O ATOM 16765 H1 TIP3 4912 27.651 58.941 23.376 1.00 0.00 SOLV H ATOM 16766 H2 TIP3 4912 27.530 60.427 23.276 1.00 0.00 SOLV H ATOM 16767 OH2 TIP3 4913 21.682 57.965 35.412 1.00 0.00 SOLV O ATOM 16768 H1 TIP3 4913 21.079 57.261 35.722 1.00 0.00 SOLV H ATOM 16769 H2 TIP3 4913 22.490 57.733 35.923 1.00 0.00 SOLV H ATOM 16770 OH2 TIP3 4914 23.735 57.273 37.144 1.00 0.00 SOLV O ATOM 16771 H1 TIP3 4914 24.647 57.015 36.912 1.00 0.00 SOLV H ATOM 16772 H2 TIP3 4914 23.405 56.455 37.564 1.00 0.00 SOLV H ATOM 16773 OH2 TIP3 4915 32.298 56.823 37.245 1.00 0.00 SOLV O ATOM 16774 H1 TIP3 4915 32.164 56.376 38.118 1.00 0.00 SOLV H ATOM 16775 H2 TIP3 4915 33.252 56.644 37.108 1.00 0.00 SOLV H ATOM 16776 OH2 TIP3 4916 49.634 66.592 25.915 1.00 0.00 SOLV O ATOM 16777 H1 TIP3 4916 49.221 67.413 26.215 1.00 0.00 SOLV H ATOM 16778 H2 TIP3 4916 49.063 66.352 25.154 1.00 0.00 SOLV H ATOM 16779 OH2 TIP3 4917 48.773 65.891 29.522 1.00 0.00 SOLV O ATOM 16780 H1 TIP3 4917 48.854 65.391 30.362 1.00 0.00 SOLV H ATOM 16781 H2 TIP3 4917 48.369 65.232 28.932 1.00 0.00 SOLV H ATOM 16782 OH2 TIP3 4918 40.845 65.443 30.930 1.00 0.00 SOLV O ATOM 16783 H1 TIP3 4918 40.879 64.536 31.282 1.00 0.00 SOLV H ATOM 16784 H2 TIP3 4918 41.547 65.853 31.457 1.00 0.00 SOLV H ATOM 16785 OH2 TIP3 4919 51.762 68.271 27.987 1.00 0.00 SOLV O ATOM 16786 H1 TIP3 4919 51.614 67.318 28.056 1.00 0.00 SOLV H ATOM 16787 H2 TIP3 4919 52.356 68.429 28.734 1.00 0.00 SOLV H ATOM 16788 OH2 TIP3 4920 38.606 63.280 24.634 1.00 0.00 SOLV O ATOM 16789 H1 TIP3 4920 38.244 64.152 24.866 1.00 0.00 SOLV H ATOM 16790 H2 TIP3 4920 38.050 63.070 23.860 1.00 0.00 SOLV H ATOM 16791 OH2 TIP3 4921 39.108 65.723 27.287 1.00 0.00 SOLV O ATOM 16792 H1 TIP3 4921 39.331 64.788 27.508 1.00 0.00 SOLV H ATOM 16793 H2 TIP3 4921 39.850 65.962 26.715 1.00 0.00 SOLV H ATOM 16794 OH2 TIP3 4922 47.060 68.038 30.164 1.00 0.00 SOLV O ATOM 16795 H1 TIP3 4922 47.557 67.293 29.772 1.00 0.00 SOLV H ATOM 16796 H2 TIP3 4922 47.772 68.379 30.750 1.00 0.00 SOLV H ATOM 16797 OH2 TIP3 4923 55.780 59.870 30.747 1.00 0.00 SOLV O ATOM 16798 H1 TIP3 4923 56.040 60.582 31.360 1.00 0.00 SOLV H ATOM 16799 H2 TIP3 4923 56.307 60.103 29.958 1.00 0.00 SOLV H ATOM 16800 OH2 TIP3 4924 49.892 62.638 29.951 1.00 0.00 SOLV O ATOM 16801 H1 TIP3 4924 50.252 61.740 30.084 1.00 0.00 SOLV H ATOM 16802 H2 TIP3 4924 49.910 62.707 28.975 1.00 0.00 SOLV H ATOM 16803 OH2 TIP3 4925 43.594 60.791 27.595 1.00 0.00 SOLV O ATOM 16804 H1 TIP3 4925 43.743 61.557 26.994 1.00 0.00 SOLV H ATOM 16805 H2 TIP3 4925 43.196 60.173 26.937 1.00 0.00 SOLV H ATOM 16806 OH2 TIP3 4926 51.315 61.106 25.633 1.00 0.00 SOLV O ATOM 16807 H1 TIP3 4926 51.798 60.720 26.400 1.00 0.00 SOLV H ATOM 16808 H2 TIP3 4926 52.064 61.466 25.118 1.00 0.00 SOLV H ATOM 16809 OH2 TIP3 4927 39.727 63.201 27.973 1.00 0.00 SOLV O ATOM 16810 H1 TIP3 4927 40.280 62.648 28.567 1.00 0.00 SOLV H ATOM 16811 H2 TIP3 4927 40.044 62.851 27.111 1.00 0.00 SOLV H ATOM 16812 OH2 TIP3 4928 44.879 64.555 27.591 1.00 0.00 SOLV O ATOM 16813 H1 TIP3 4928 45.759 64.198 27.825 1.00 0.00 SOLV H ATOM 16814 H2 TIP3 4928 44.552 63.896 26.942 1.00 0.00 SOLV H ATOM 16815 OH2 TIP3 4929 56.217 61.436 33.109 1.00 0.00 SOLV O ATOM 16816 H1 TIP3 4929 55.550 62.093 32.822 1.00 0.00 SOLV H ATOM 16817 H2 TIP3 4929 56.394 61.725 34.024 1.00 0.00 SOLV H ATOM 16818 OH2 TIP3 4930 42.062 60.009 31.503 1.00 0.00 SOLV O ATOM 16819 H1 TIP3 4930 41.423 59.954 30.761 1.00 0.00 SOLV H ATOM 16820 H2 TIP3 4930 41.409 60.090 32.236 1.00 0.00 SOLV H ATOM 16821 OH2 TIP3 4931 44.673 67.525 31.297 1.00 0.00 SOLV O ATOM 16822 H1 TIP3 4931 44.074 68.212 30.950 1.00 0.00 SOLV H ATOM 16823 H2 TIP3 4931 45.528 67.796 30.890 1.00 0.00 SOLV H ATOM 16824 OH2 TIP3 4932 52.654 60.452 27.903 1.00 0.00 SOLV O ATOM 16825 H1 TIP3 4932 52.132 59.978 28.567 1.00 0.00 SOLV H ATOM 16826 H2 TIP3 4932 53.194 61.042 28.468 1.00 0.00 SOLV H ATOM 16827 OH2 TIP3 4933 41.483 61.597 29.191 1.00 0.00 SOLV O ATOM 16828 H1 TIP3 4933 42.081 62.138 29.737 1.00 0.00 SOLV H ATOM 16829 H2 TIP3 4933 42.028 61.371 28.415 1.00 0.00 SOLV H ATOM 16830 OH2 TIP3 4934 53.185 58.974 31.597 1.00 0.00 SOLV O ATOM 16831 H1 TIP3 4934 52.458 59.407 31.116 1.00 0.00 SOLV H ATOM 16832 H2 TIP3 4934 53.976 59.318 31.133 1.00 0.00 SOLV H ATOM 16833 OH2 TIP3 4935 46.171 57.041 29.189 1.00 0.00 SOLV O ATOM 16834 H1 TIP3 4935 46.009 56.294 28.563 1.00 0.00 SOLV H ATOM 16835 H2 TIP3 4935 45.264 57.375 29.286 1.00 0.00 SOLV H ATOM 16836 OH2 TIP3 4936 48.451 65.832 23.589 1.00 0.00 SOLV O ATOM 16837 H1 TIP3 4936 47.733 66.440 23.285 1.00 0.00 SOLV H ATOM 16838 H2 TIP3 4936 49.057 65.875 22.828 1.00 0.00 SOLV H ATOM 16839 OH2 TIP3 4937 48.552 64.589 20.118 1.00 0.00 SOLV O ATOM 16840 H1 TIP3 4937 49.103 64.863 20.875 1.00 0.00 SOLV H ATOM 16841 H2 TIP3 4937 49.152 63.947 19.687 1.00 0.00 SOLV H ATOM 16842 OH2 TIP3 4938 55.686 65.369 31.867 1.00 0.00 SOLV O ATOM 16843 H1 TIP3 4938 54.967 66.038 31.893 1.00 0.00 SOLV H ATOM 16844 H2 TIP3 4938 56.221 65.718 31.118 1.00 0.00 SOLV H ATOM 16845 OH2 TIP3 4939 51.758 65.653 24.415 1.00 0.00 SOLV O ATOM 16846 H1 TIP3 4939 51.073 65.971 25.044 1.00 0.00 SOLV H ATOM 16847 H2 TIP3 4939 52.423 65.274 25.029 1.00 0.00 SOLV H ATOM 16848 OH2 TIP3 4940 51.623 64.131 33.617 1.00 0.00 SOLV O ATOM 16849 H1 TIP3 4940 51.590 64.810 34.322 1.00 0.00 SOLV H ATOM 16850 H2 TIP3 4940 50.949 64.478 33.000 1.00 0.00 SOLV H ATOM 16851 OH2 TIP3 4941 43.206 66.545 26.494 1.00 0.00 SOLV O ATOM 16852 H1 TIP3 4941 42.831 66.214 25.644 1.00 0.00 SOLV H ATOM 16853 H2 TIP3 4941 43.805 65.818 26.757 1.00 0.00 SOLV H ATOM 16854 OH2 TIP3 4942 43.858 65.110 30.074 1.00 0.00 SOLV O ATOM 16855 H1 TIP3 4942 44.206 65.094 29.156 1.00 0.00 SOLV H ATOM 16856 H2 TIP3 4942 44.192 65.959 30.418 1.00 0.00 SOLV H ATOM 16857 OH2 TIP3 4943 50.604 65.329 21.897 1.00 0.00 SOLV O ATOM 16858 H1 TIP3 4943 51.098 65.676 22.672 1.00 0.00 SOLV H ATOM 16859 H2 TIP3 4943 51.154 65.678 21.154 1.00 0.00 SOLV H ATOM 16860 OH2 TIP3 4944 41.718 65.722 33.859 1.00 0.00 SOLV O ATOM 16861 H1 TIP3 4944 41.858 66.451 34.507 1.00 0.00 SOLV H ATOM 16862 H2 TIP3 4944 40.735 65.681 33.870 1.00 0.00 SOLV H ATOM 16863 OH2 TIP3 4945 54.341 56.878 21.836 1.00 0.00 SOLV O ATOM 16864 H1 TIP3 4945 53.472 57.190 22.161 1.00 0.00 SOLV H ATOM 16865 H2 TIP3 4945 54.753 57.729 21.569 1.00 0.00 SOLV H ATOM 16866 OH2 TIP3 4946 42.006 65.906 24.092 1.00 0.00 SOLV O ATOM 16867 H1 TIP3 4946 42.156 66.628 23.470 1.00 0.00 SOLV H ATOM 16868 H2 TIP3 4946 41.781 65.224 23.429 1.00 0.00 SOLV H ATOM 16869 OH2 TIP3 4947 38.261 68.009 32.757 1.00 0.00 SOLV O ATOM 16870 H1 TIP3 4947 37.936 68.067 31.841 1.00 0.00 SOLV H ATOM 16871 H2 TIP3 4947 38.689 67.136 32.783 1.00 0.00 SOLV H ATOM 16872 OH2 TIP3 4948 53.508 62.913 35.747 1.00 0.00 SOLV O ATOM 16873 H1 TIP3 4948 52.809 63.264 35.174 1.00 0.00 SOLV H ATOM 16874 H2 TIP3 4948 53.498 61.964 35.517 1.00 0.00 SOLV H ATOM 16875 OH2 TIP3 4949 43.374 58.261 29.651 1.00 0.00 SOLV O ATOM 16876 H1 TIP3 4949 42.757 57.864 29.008 1.00 0.00 SOLV H ATOM 16877 H2 TIP3 4949 42.787 58.213 30.429 1.00 0.00 SOLV H ATOM 16878 OH2 TIP3 4950 48.149 57.555 33.196 1.00 0.00 SOLV O ATOM 16879 H1 TIP3 4950 48.615 57.023 33.874 1.00 0.00 SOLV H ATOM 16880 H2 TIP3 4950 47.208 57.425 33.426 1.00 0.00 SOLV H ATOM 16881 OH2 TIP3 4951 51.165 61.423 33.913 1.00 0.00 SOLV O ATOM 16882 H1 TIP3 4951 50.446 61.341 34.581 1.00 0.00 SOLV H ATOM 16883 H2 TIP3 4951 51.173 62.385 33.734 1.00 0.00 SOLV H ATOM 16884 OH2 TIP3 4952 52.056 66.023 19.705 1.00 0.00 SOLV O ATOM 16885 H1 TIP3 4952 52.033 66.000 18.731 1.00 0.00 SOLV H ATOM 16886 H2 TIP3 4952 52.905 66.485 19.866 1.00 0.00 SOLV H ATOM 16887 OH2 TIP3 4953 47.694 59.973 20.533 1.00 0.00 SOLV O ATOM 16888 H1 TIP3 4953 47.068 59.867 21.277 1.00 0.00 SOLV H ATOM 16889 H2 TIP3 4953 47.249 59.408 19.870 1.00 0.00 SOLV H ATOM 16890 OH2 TIP3 4954 43.549 62.539 30.765 1.00 0.00 SOLV O ATOM 16891 H1 TIP3 4954 42.894 62.719 31.477 1.00 0.00 SOLV H ATOM 16892 H2 TIP3 4954 43.794 63.469 30.534 1.00 0.00 SOLV H ATOM 16893 OH2 TIP3 4955 43.561 62.872 25.851 1.00 0.00 SOLV O ATOM 16894 H1 TIP3 4955 42.581 62.837 25.787 1.00 0.00 SOLV H ATOM 16895 H2 TIP3 4955 43.791 62.737 24.906 1.00 0.00 SOLV H ATOM 16896 OH2 TIP3 4956 49.016 63.402 24.704 1.00 0.00 SOLV O ATOM 16897 H1 TIP3 4956 48.798 64.284 24.325 1.00 0.00 SOLV H ATOM 16898 H2 TIP3 4956 49.712 63.096 24.085 1.00 0.00 SOLV H ATOM 16899 OH2 TIP3 4957 48.097 63.607 35.958 1.00 0.00 SOLV O ATOM 16900 H1 TIP3 4957 47.665 62.816 36.349 1.00 0.00 SOLV H ATOM 16901 H2 TIP3 4957 48.938 63.616 36.455 1.00 0.00 SOLV H ATOM 16902 OH2 TIP3 4958 49.934 62.902 27.231 1.00 0.00 SOLV O ATOM 16903 H1 TIP3 4958 49.529 63.398 26.486 1.00 0.00 SOLV H ATOM 16904 H2 TIP3 4958 50.319 62.172 26.699 1.00 0.00 SOLV H ATOM 16905 OH2 TIP3 4959 41.374 63.023 32.448 1.00 0.00 SOLV O ATOM 16906 H1 TIP3 4959 41.342 63.635 33.201 1.00 0.00 SOLV H ATOM 16907 H2 TIP3 4959 40.888 62.247 32.792 1.00 0.00 SOLV H ATOM 16908 OH2 TIP3 4960 44.497 60.636 19.349 1.00 0.00 SOLV O ATOM 16909 H1 TIP3 4960 44.066 60.486 20.214 1.00 0.00 SOLV H ATOM 16910 H2 TIP3 4960 43.939 61.369 19.004 1.00 0.00 SOLV H ATOM 16911 OH2 TIP3 4961 38.002 59.935 26.637 1.00 0.00 SOLV O ATOM 16912 H1 TIP3 4961 38.882 59.925 27.026 1.00 0.00 SOLV H ATOM 16913 H2 TIP3 4961 38.190 59.786 25.689 1.00 0.00 SOLV H ATOM 16914 OH2 TIP3 4962 38.575 60.901 21.798 1.00 0.00 SOLV O ATOM 16915 H1 TIP3 4962 39.218 61.324 21.184 1.00 0.00 SOLV H ATOM 16916 H2 TIP3 4962 38.100 61.706 22.086 1.00 0.00 SOLV H ATOM 16917 OH2 TIP3 4963 49.247 64.465 31.818 1.00 0.00 SOLV O ATOM 16918 H1 TIP3 4963 49.583 63.783 31.192 1.00 0.00 SOLV H ATOM 16919 H2 TIP3 4963 48.686 63.892 32.392 1.00 0.00 SOLV H ATOM 16920 OH2 TIP3 4964 46.560 60.497 26.682 1.00 0.00 SOLV O ATOM 16921 H1 TIP3 4964 45.709 60.032 26.758 1.00 0.00 SOLV H ATOM 16922 H2 TIP3 4964 47.100 59.989 27.333 1.00 0.00 SOLV H ATOM 16923 OH2 TIP3 4965 40.882 62.205 25.702 1.00 0.00 SOLV O ATOM 16924 H1 TIP3 4965 40.111 62.509 25.164 1.00 0.00 SOLV H ATOM 16925 H2 TIP3 4965 41.093 61.342 25.304 1.00 0.00 SOLV H ATOM 16926 OH2 TIP3 4966 44.337 62.327 23.233 1.00 0.00 SOLV O ATOM 16927 H1 TIP3 4966 45.278 62.224 23.485 1.00 0.00 SOLV H ATOM 16928 H2 TIP3 4966 44.379 63.008 22.544 1.00 0.00 SOLV H ATOM 16929 OH2 TIP3 4967 50.607 59.938 30.070 1.00 0.00 SOLV O ATOM 16930 H1 TIP3 4967 50.072 59.930 30.900 1.00 0.00 SOLV H ATOM 16931 H2 TIP3 4967 49.986 59.509 29.459 1.00 0.00 SOLV H ATOM 16932 OH2 TIP3 4968 41.828 67.527 35.941 1.00 0.00 SOLV O ATOM 16933 H1 TIP3 4968 42.316 67.497 36.786 1.00 0.00 SOLV H ATOM 16934 H2 TIP3 4968 40.931 67.743 36.264 1.00 0.00 SOLV H ATOM 16935 OH2 TIP3 4969 47.347 63.466 28.631 1.00 0.00 SOLV O ATOM 16936 H1 TIP3 4969 47.864 63.003 27.955 1.00 0.00 SOLV H ATOM 16937 H2 TIP3 4969 47.662 63.034 29.438 1.00 0.00 SOLV H ATOM 16938 OH2 TIP3 4970 42.305 59.646 25.439 1.00 0.00 SOLV O ATOM 16939 H1 TIP3 4970 41.600 58.958 25.520 1.00 0.00 SOLV H ATOM 16940 H2 TIP3 4970 42.861 59.223 24.773 1.00 0.00 SOLV H ATOM 16941 OH2 TIP3 4971 46.514 67.510 22.753 1.00 0.00 SOLV O ATOM 16942 H1 TIP3 4971 45.716 67.204 22.276 1.00 0.00 SOLV H ATOM 16943 H2 TIP3 4971 46.125 67.742 23.625 1.00 0.00 SOLV H ATOM 16944 OH2 TIP3 4972 53.648 67.246 31.607 1.00 0.00 SOLV O ATOM 16945 H1 TIP3 4972 54.193 67.808 31.019 1.00 0.00 SOLV H ATOM 16946 H2 TIP3 4972 52.910 66.969 31.023 1.00 0.00 SOLV H ATOM 16947 OH2 TIP3 4973 50.260 60.556 21.152 1.00 0.00 SOLV O ATOM 16948 H1 TIP3 4973 49.298 60.506 20.932 1.00 0.00 SOLV H ATOM 16949 H2 TIP3 4973 50.346 61.431 21.580 1.00 0.00 SOLV H ATOM 16950 OH2 TIP3 4974 48.345 67.870 34.358 1.00 0.00 SOLV O ATOM 16951 H1 TIP3 4974 48.603 67.413 35.186 1.00 0.00 SOLV H ATOM 16952 H2 TIP3 4974 47.451 68.161 34.580 1.00 0.00 SOLV H ATOM 16953 OH2 TIP3 4975 50.956 62.712 22.836 1.00 0.00 SOLV O ATOM 16954 H1 TIP3 4975 51.859 62.611 23.188 1.00 0.00 SOLV H ATOM 16955 H2 TIP3 4975 50.973 63.626 22.485 1.00 0.00 SOLV H ATOM 16956 OH2 TIP3 4976 41.670 67.395 28.612 1.00 0.00 SOLV O ATOM 16957 H1 TIP3 4976 42.254 67.145 27.862 1.00 0.00 SOLV H ATOM 16958 H2 TIP3 4976 41.662 66.593 29.151 1.00 0.00 SOLV H ATOM 16959 OH2 TIP3 4977 39.005 65.381 33.836 1.00 0.00 SOLV O ATOM 16960 H1 TIP3 4977 38.747 65.066 34.725 1.00 0.00 SOLV H ATOM 16961 H2 TIP3 4977 38.230 65.094 33.321 1.00 0.00 SOLV H ATOM 16962 OH2 TIP3 4978 45.941 65.350 36.117 1.00 0.00 SOLV O ATOM 16963 H1 TIP3 4978 45.389 64.964 35.417 1.00 0.00 SOLV H ATOM 16964 H2 TIP3 4978 46.798 64.900 35.948 1.00 0.00 SOLV H ATOM 16965 OH2 TIP3 4979 55.713 63.109 22.479 1.00 0.00 SOLV O ATOM 16966 H1 TIP3 4979 55.278 62.921 21.613 1.00 0.00 SOLV H ATOM 16967 H2 TIP3 4979 55.884 64.066 22.321 1.00 0.00 SOLV H ATOM 16968 OH2 TIP3 4980 56.081 68.495 35.148 1.00 0.00 SOLV O ATOM 16969 H1 TIP3 4980 55.395 69.130 34.846 1.00 0.00 SOLV H ATOM 16970 H2 TIP3 4980 56.532 68.356 34.283 1.00 0.00 SOLV H ATOM 16971 OH2 TIP3 4981 51.520 66.288 29.998 1.00 0.00 SOLV O ATOM 16972 H1 TIP3 4981 50.564 66.296 29.781 1.00 0.00 SOLV H ATOM 16973 H2 TIP3 4981 51.805 65.490 29.503 1.00 0.00 SOLV H ATOM 16974 OH2 TIP3 4982 45.389 67.892 25.218 1.00 0.00 SOLV O ATOM 16975 H1 TIP3 4982 45.261 68.827 25.472 1.00 0.00 SOLV H ATOM 16976 H2 TIP3 4982 44.654 67.467 25.688 1.00 0.00 SOLV H ATOM 16977 OH2 TIP3 4983 49.285 68.137 31.763 1.00 0.00 SOLV O ATOM 16978 H1 TIP3 4983 49.073 67.750 32.635 1.00 0.00 SOLV H ATOM 16979 H2 TIP3 4983 50.087 67.664 31.504 1.00 0.00 SOLV H ATOM 16980 OH2 TIP3 4984 40.118 60.500 33.336 1.00 0.00 SOLV O ATOM 16981 H1 TIP3 4984 39.178 60.640 33.106 1.00 0.00 SOLV H ATOM 16982 H2 TIP3 4984 40.043 59.698 33.882 1.00 0.00 SOLV H ATOM 16983 OH2 TIP3 4985 52.671 67.763 22.968 1.00 0.00 SOLV O ATOM 16984 H1 TIP3 4985 52.504 67.000 23.553 1.00 0.00 SOLV H ATOM 16985 H2 TIP3 4985 53.638 67.730 22.852 1.00 0.00 SOLV H ATOM 16986 OH2 TIP3 4986 49.179 59.992 32.393 1.00 0.00 SOLV O ATOM 16987 H1 TIP3 4986 49.803 60.226 33.101 1.00 0.00 SOLV H ATOM 16988 H2 TIP3 4986 48.776 59.162 32.729 1.00 0.00 SOLV H ATOM 16989 OH2 TIP3 4987 50.029 59.443 23.754 1.00 0.00 SOLV O ATOM 16990 H1 TIP3 4987 50.135 59.851 22.870 1.00 0.00 SOLV H ATOM 16991 H2 TIP3 4987 50.408 60.130 24.344 1.00 0.00 SOLV H ATOM 16992 OH2 TIP3 4988 46.836 61.783 24.294 1.00 0.00 SOLV O ATOM 16993 H1 TIP3 4988 47.596 62.399 24.401 1.00 0.00 SOLV H ATOM 16994 H2 TIP3 4988 46.730 61.473 25.222 1.00 0.00 SOLV H ATOM 16995 OH2 TIP3 4989 47.916 62.727 33.362 1.00 0.00 SOLV O ATOM 16996 H1 TIP3 4989 47.980 62.999 34.302 1.00 0.00 SOLV H ATOM 16997 H2 TIP3 4989 48.044 61.769 33.408 1.00 0.00 SOLV H ATOM 16998 OH2 TIP3 4990 47.664 58.522 24.803 1.00 0.00 SOLV O ATOM 16999 H1 TIP3 4990 47.511 59.230 25.454 1.00 0.00 SOLV H ATOM 17000 H2 TIP3 4990 48.527 58.811 24.416 1.00 0.00 SOLV H ATOM 17001 OH2 TIP3 4991 43.528 60.006 21.851 1.00 0.00 SOLV O ATOM 17002 H1 TIP3 4991 43.533 60.826 22.385 1.00 0.00 SOLV H ATOM 17003 H2 TIP3 4991 44.400 59.642 22.111 1.00 0.00 SOLV H ATOM 17004 OH2 TIP3 4992 53.604 60.395 34.403 1.00 0.00 SOLV O ATOM 17005 H1 TIP3 4992 52.654 60.579 34.220 1.00 0.00 SOLV H ATOM 17006 H2 TIP3 4992 53.995 60.586 33.541 1.00 0.00 SOLV H ATOM 17007 OH2 TIP3 4993 52.205 64.130 28.432 1.00 0.00 SOLV O ATOM 17008 H1 TIP3 4993 51.408 63.677 28.094 1.00 0.00 SOLV H ATOM 17009 H2 TIP3 4993 52.694 63.408 28.884 1.00 0.00 SOLV H ATOM 17010 OH2 TIP3 4994 39.865 62.674 20.166 1.00 0.00 SOLV O ATOM 17011 H1 TIP3 4994 40.629 63.186 20.515 1.00 0.00 SOLV H ATOM 17012 H2 TIP3 4994 39.374 63.406 19.767 1.00 0.00 SOLV H ATOM 17013 OH2 TIP3 4995 39.230 67.811 36.874 1.00 0.00 SOLV O ATOM 17014 H1 TIP3 4995 39.253 66.835 36.908 1.00 0.00 SOLV H ATOM 17015 H2 TIP3 4995 38.451 67.973 36.297 1.00 0.00 SOLV H ATOM 17016 OH2 TIP3 4996 43.320 67.727 19.271 1.00 0.00 SOLV O ATOM 17017 H1 TIP3 4996 43.121 67.149 20.033 1.00 0.00 SOLV H ATOM 17018 H2 TIP3 4996 44.282 67.626 19.221 1.00 0.00 SOLV H ATOM 17019 OH2 TIP3 4997 45.334 68.064 36.395 1.00 0.00 SOLV O ATOM 17020 H1 TIP3 4997 45.064 68.205 35.478 1.00 0.00 SOLV H ATOM 17021 H2 TIP3 4997 45.703 67.156 36.360 1.00 0.00 SOLV H ATOM 17022 OH2 TIP3 4998 51.365 67.931 34.165 1.00 0.00 SOLV O ATOM 17023 H1 TIP3 4998 52.068 68.391 33.685 1.00 0.00 SOLV H ATOM 17024 H2 TIP3 4998 50.612 68.533 34.085 1.00 0.00 SOLV H ATOM 17025 OH2 TIP3 4999 39.951 65.077 36.820 1.00 0.00 SOLV O ATOM 17026 H1 TIP3 4999 40.762 64.602 36.609 1.00 0.00 SOLV H ATOM 17027 H2 TIP3 4999 40.037 65.201 37.789 1.00 0.00 SOLV H ATOM 17028 OH2 TIP3 5000 44.330 66.291 21.516 1.00 0.00 SOLV O ATOM 17029 H1 TIP3 5000 43.437 65.880 21.402 1.00 0.00 SOLV H ATOM 17030 H2 TIP3 5000 44.871 65.590 21.097 1.00 0.00 SOLV H ATOM 17031 OH2 TIP3 5001 43.891 64.097 34.036 1.00 0.00 SOLV O ATOM 17032 H1 TIP3 5001 43.155 64.735 33.899 1.00 0.00 SOLV H ATOM 17033 H2 TIP3 5001 44.617 64.553 33.548 1.00 0.00 SOLV H ATOM 17034 OH2 TIP3 5002 45.801 64.524 20.061 1.00 0.00 SOLV O ATOM 17035 H1 TIP3 5002 45.681 64.730 19.120 1.00 0.00 SOLV H ATOM 17036 H2 TIP3 5002 46.774 64.439 20.122 1.00 0.00 SOLV H ATOM 17037 OH2 TIP3 5003 48.854 66.588 36.935 1.00 0.00 SOLV O ATOM 17038 H1 TIP3 5003 49.776 66.568 37.216 1.00 0.00 SOLV H ATOM 17039 H2 TIP3 5003 48.434 66.056 37.632 1.00 0.00 SOLV H ATOM 17040 OH2 TIP3 5004 54.693 67.095 19.590 1.00 0.00 SOLV O ATOM 17041 H1 TIP3 5004 54.715 67.037 18.619 1.00 0.00 SOLV H ATOM 17042 H2 TIP3 5004 54.902 68.044 19.733 1.00 0.00 SOLV H ATOM 17043 OH2 TIP3 5005 44.449 61.732 35.097 1.00 0.00 SOLV O ATOM 17044 H1 TIP3 5005 43.965 61.110 34.547 1.00 0.00 SOLV H ATOM 17045 H2 TIP3 5005 44.272 62.599 34.655 1.00 0.00 SOLV H ATOM 17046 OH2 TIP3 5006 44.734 60.135 32.018 1.00 0.00 SOLV O ATOM 17047 H1 TIP3 5006 44.971 60.987 32.418 1.00 0.00 SOLV H ATOM 17048 H2 TIP3 5006 43.761 60.101 32.123 1.00 0.00 SOLV H ATOM 17049 OH2 TIP3 5007 45.856 65.472 32.914 1.00 0.00 SOLV O ATOM 17050 H1 TIP3 5007 46.788 65.401 32.677 1.00 0.00 SOLV H ATOM 17051 H2 TIP3 5007 45.528 66.195 32.345 1.00 0.00 SOLV H ATOM 17052 OH2 TIP3 5008 50.341 63.150 37.613 1.00 0.00 SOLV O ATOM 17053 H1 TIP3 5008 50.692 62.250 37.683 1.00 0.00 SOLV H ATOM 17054 H2 TIP3 5008 51.146 63.684 37.550 1.00 0.00 SOLV H ATOM 17055 OH2 TIP3 5009 51.894 65.878 35.822 1.00 0.00 SOLV O ATOM 17056 H1 TIP3 5009 51.592 66.655 35.292 1.00 0.00 SOLV H ATOM 17057 H2 TIP3 5009 52.868 66.012 35.761 1.00 0.00 SOLV H ATOM 17058 OH2 TIP3 5010 42.701 62.416 37.247 1.00 0.00 SOLV O ATOM 17059 H1 TIP3 5010 41.932 61.830 37.072 1.00 0.00 SOLV H ATOM 17060 H2 TIP3 5010 43.216 62.327 36.425 1.00 0.00 SOLV H ATOM 17061 OH2 TIP3 5011 45.285 57.365 33.067 1.00 0.00 SOLV O ATOM 17062 H1 TIP3 5011 45.160 58.190 32.568 1.00 0.00 SOLV H ATOM 17063 H2 TIP3 5011 44.603 56.792 32.654 1.00 0.00 SOLV H ATOM 17064 OH2 TIP3 5012 46.711 61.362 36.645 1.00 0.00 SOLV O ATOM 17065 H1 TIP3 5012 46.242 61.055 37.444 1.00 0.00 SOLV H ATOM 17066 H2 TIP3 5012 45.939 61.470 36.047 1.00 0.00 SOLV H ATOM 17067 OH2 TIP3 5013 49.242 60.746 35.660 1.00 0.00 SOLV O ATOM 17068 H1 TIP3 5013 48.368 60.803 36.100 1.00 0.00 SOLV H ATOM 17069 H2 TIP3 5013 49.770 60.249 36.315 1.00 0.00 SOLV H ATOM 17070 OH2 TIP3 5014 51.035 59.572 37.512 1.00 0.00 SOLV O ATOM 17071 H1 TIP3 5014 50.973 58.596 37.423 1.00 0.00 SOLV H ATOM 17072 H2 TIP3 5014 50.734 59.716 38.434 1.00 0.00 SOLV H ATOM 17073 OH2 TIP3 5015 40.741 60.502 36.817 1.00 0.00 SOLV O ATOM 17074 H1 TIP3 5015 40.636 59.670 36.306 1.00 0.00 SOLV H ATOM 17075 H2 TIP3 5015 40.837 60.133 37.721 1.00 0.00 SOLV H ATOM 17076 OH2 TIP3 5016 45.536 56.710 35.779 1.00 0.00 SOLV O ATOM 17077 H1 TIP3 5016 46.050 55.885 35.674 1.00 0.00 SOLV H ATOM 17078 H2 TIP3 5016 45.356 56.933 34.844 1.00 0.00 SOLV H ATOM 17079 OH2 TIP3 5017 46.054 58.311 37.946 1.00 0.00 SOLV O ATOM 17080 H1 TIP3 5017 45.924 57.779 37.129 1.00 0.00 SOLV H ATOM 17081 H2 TIP3 5017 45.385 59.019 37.834 1.00 0.00 SOLV H ATOM 17082 OH2 TIP3 5018 55.653 67.459 23.426 1.00 0.00 SOLV O ATOM 17083 H1 TIP3 5018 56.545 67.843 23.469 1.00 0.00 SOLV H ATOM 17084 H2 TIP3 5018 55.734 66.807 24.156 1.00 0.00 SOLV H ATOM 17085 OH2 TIP3 5019 55.852 65.503 25.317 1.00 0.00 SOLV O ATOM 17086 H1 TIP3 5019 55.014 65.158 25.689 1.00 0.00 SOLV H ATOM 17087 H2 TIP3 5019 56.373 65.722 26.117 1.00 0.00 SOLV H ATOM 17088 OH2 TIP3 5020 55.638 68.617 30.390 1.00 0.00 SOLV O ATOM 17089 H1 TIP3 5020 56.235 68.104 29.818 1.00 0.00 SOLV H ATOM 17090 H2 TIP3 5020 55.160 69.190 29.746 1.00 0.00 SOLV H ATOM 17091 OH2 TIP3 5021 56.054 65.627 21.471 1.00 0.00 SOLV O ATOM 17092 H1 TIP3 5021 55.547 66.038 20.736 1.00 0.00 SOLV H ATOM 17093 H2 TIP3 5021 55.873 66.293 22.173 1.00 0.00 SOLV H ATOM 17094 OH2 TIP3 5022 54.654 62.791 20.003 1.00 0.00 SOLV O ATOM 17095 H1 TIP3 5022 54.400 63.424 19.321 1.00 0.00 SOLV H ATOM 17096 H2 TIP3 5022 54.366 61.949 19.593 1.00 0.00 SOLV H ATOM 17097 OH2 TIP3 5023 53.520 64.344 26.042 1.00 0.00 SOLV O ATOM 17098 H1 TIP3 5023 53.527 63.435 25.697 1.00 0.00 SOLV H ATOM 17099 H2 TIP3 5023 53.136 64.250 26.939 1.00 0.00 SOLV H ATOM 17100 OH2 TIP3 5024 38.487 66.401 29.885 1.00 0.00 SOLV O ATOM 17101 H1 TIP3 5024 38.646 66.246 28.927 1.00 0.00 SOLV H ATOM 17102 H2 TIP3 5024 39.373 66.156 30.239 1.00 0.00 SOLV H ATOM 17103 OH2 TIP3 5025 54.556 66.332 35.742 1.00 0.00 SOLV O ATOM 17104 H1 TIP3 5025 55.165 65.577 35.591 1.00 0.00 SOLV H ATOM 17105 H2 TIP3 5025 55.069 67.081 35.371 1.00 0.00 SOLV H ATOM 17106 OH2 TIP3 5026 55.998 64.011 35.511 1.00 0.00 SOLV O ATOM 17107 H1 TIP3 5026 55.109 63.616 35.644 1.00 0.00 SOLV H ATOM 17108 H2 TIP3 5026 56.562 63.256 35.783 1.00 0.00 SOLV H ATOM 17109 OH2 TIP3 5027 53.816 60.381 18.966 1.00 0.00 SOLV O ATOM 17110 H1 TIP3 5027 54.216 59.850 19.682 1.00 0.00 SOLV H ATOM 17111 H2 TIP3 5027 52.921 60.008 18.874 1.00 0.00 SOLV H ATOM 17112 OH2 TIP3 5028 53.500 61.996 24.164 1.00 0.00 SOLV O ATOM 17113 H1 TIP3 5028 53.758 61.045 24.151 1.00 0.00 SOLV H ATOM 17114 H2 TIP3 5028 54.262 62.386 23.692 1.00 0.00 SOLV H ATOM 17115 OH2 TIP3 5029 53.822 62.247 29.640 1.00 0.00 SOLV O ATOM 17116 H1 TIP3 5029 54.779 62.394 29.460 1.00 0.00 SOLV H ATOM 17117 H2 TIP3 5029 53.817 62.439 30.598 1.00 0.00 SOLV H ATOM 17118 OH2 TIP3 5030 54.138 63.135 32.314 1.00 0.00 SOLV O ATOM 17119 H1 TIP3 5030 53.325 63.520 32.693 1.00 0.00 SOLV H ATOM 17120 H2 TIP3 5030 54.677 63.943 32.158 1.00 0.00 SOLV H ATOM 17121 OH2 TIP3 5031 38.360 61.592 35.955 1.00 0.00 SOLV O ATOM 17122 H1 TIP3 5031 39.264 61.346 36.246 1.00 0.00 SOLV H ATOM 17123 H2 TIP3 5031 37.915 60.722 36.025 1.00 0.00 SOLV H ATOM 17124 OH2 TIP3 5032 56.416 57.356 37.691 1.00 0.00 SOLV O ATOM 17125 H1 TIP3 5032 57.026 56.738 37.239 1.00 0.00 SOLV H ATOM 17126 H2 TIP3 5032 56.319 58.059 37.009 1.00 0.00 SOLV H ATOM 17127 OH2 TIP3 5033 54.051 59.288 24.204 1.00 0.00 SOLV O ATOM 17128 H1 TIP3 5033 54.237 58.852 25.060 1.00 0.00 SOLV H ATOM 17129 H2 TIP3 5033 53.359 58.694 23.847 1.00 0.00 SOLV H ATOM 17130 OH2 TIP3 5034 37.575 62.849 29.675 1.00 0.00 SOLV O ATOM 17131 H1 TIP3 5034 38.266 62.976 28.991 1.00 0.00 SOLV H ATOM 17132 H2 TIP3 5034 37.834 63.495 30.342 1.00 0.00 SOLV H ATOM 17133 OH2 TIP3 5035 55.739 59.227 35.864 1.00 0.00 SOLV O ATOM 17134 H1 TIP3 5035 54.963 59.784 36.087 1.00 0.00 SOLV H ATOM 17135 H2 TIP3 5035 55.402 58.802 35.050 1.00 0.00 SOLV H ATOM 17136 OH2 TIP3 5036 55.579 59.109 20.801 1.00 0.00 SOLV O ATOM 17137 H1 TIP3 5036 56.061 58.541 20.166 1.00 0.00 SOLV H ATOM 17138 H2 TIP3 5036 56.284 59.711 21.118 1.00 0.00 SOLV H ATOM 17139 OH2 TIP3 5037 38.101 59.236 23.909 1.00 0.00 SOLV O ATOM 17140 H1 TIP3 5037 37.133 59.214 23.809 1.00 0.00 SOLV H ATOM 17141 H2 TIP3 5037 38.360 59.878 23.215 1.00 0.00 SOLV H ATOM 17142 OH2 TIP3 5038 38.269 58.103 32.577 1.00 0.00 SOLV O ATOM 17143 H1 TIP3 5038 37.368 57.955 32.902 1.00 0.00 SOLV H ATOM 17144 H2 TIP3 5038 38.119 58.350 31.649 1.00 0.00 SOLV H ATOM 17145 OH2 TIP3 5039 54.569 57.625 33.879 1.00 0.00 SOLV O ATOM 17146 H1 TIP3 5039 54.015 58.354 33.540 1.00 0.00 SOLV H ATOM 17147 H2 TIP3 5039 54.104 56.869 33.472 1.00 0.00 SOLV H ATOM 17148 OH2 TIP3 5040 48.044 58.866 28.225 1.00 0.00 SOLV O ATOM 17149 H1 TIP3 5040 47.412 58.194 28.566 1.00 0.00 SOLV H ATOM 17150 H2 TIP3 5040 48.784 58.315 27.915 1.00 0.00 SOLV H ATOM 17151 OH2 TIP3 5041 53.165 56.961 28.337 1.00 0.00 SOLV O ATOM 17152 H1 TIP3 5041 53.789 57.499 27.801 1.00 0.00 SOLV H ATOM 17153 H2 TIP3 5041 52.307 57.356 28.088 1.00 0.00 SOLV H ATOM 17154 OH2 TIP3 5042 54.894 57.986 26.493 1.00 0.00 SOLV O ATOM 17155 H1 TIP3 5042 55.642 57.437 26.170 1.00 0.00 SOLV H ATOM 17156 H2 TIP3 5042 55.392 58.818 26.683 1.00 0.00 SOLV H ATOM 17157 OH2 TIP3 5043 40.579 57.572 25.435 1.00 0.00 SOLV O ATOM 17158 H1 TIP3 5043 39.626 57.368 25.433 1.00 0.00 SOLV H ATOM 17159 H2 TIP3 5043 40.951 56.691 25.643 1.00 0.00 SOLV H ATOM 17160 OH2 TIP3 5044 39.355 57.316 21.800 1.00 0.00 SOLV O ATOM 17161 H1 TIP3 5044 39.943 57.918 21.304 1.00 0.00 SOLV H ATOM 17162 H2 TIP3 5044 39.112 57.866 22.565 1.00 0.00 SOLV H ATOM 17163 OH2 TIP3 5045 45.339 57.790 26.326 1.00 0.00 SOLV O ATOM 17164 H1 TIP3 5045 46.104 57.748 25.737 1.00 0.00 SOLV H ATOM 17165 H2 TIP3 5045 45.224 56.845 26.552 1.00 0.00 SOLV H ATOM 17166 OH2 TIP3 5046 50.569 57.635 27.478 1.00 0.00 SOLV O ATOM 17167 H1 TIP3 5046 50.706 57.389 26.554 1.00 0.00 SOLV H ATOM 17168 H2 TIP3 5046 50.259 56.778 27.858 1.00 0.00 SOLV H ATOM 17169 OH2 TIP3 5047 52.034 57.600 23.249 1.00 0.00 SOLV O ATOM 17170 H1 TIP3 5047 51.252 58.176 23.379 1.00 0.00 SOLV H ATOM 17171 H2 TIP3 5047 51.630 56.716 23.383 1.00 0.00 SOLV H ATOM 17172 OH2 TIP3 5048 41.338 58.920 20.288 1.00 0.00 SOLV O ATOM 17173 H1 TIP3 5048 41.890 58.428 19.653 1.00 0.00 SOLV H ATOM 17174 H2 TIP3 5048 42.014 59.295 20.889 1.00 0.00 SOLV H ATOM 17175 OH2 TIP3 5049 46.129 59.604 22.765 1.00 0.00 SOLV O ATOM 17176 H1 TIP3 5049 46.488 58.935 23.374 1.00 0.00 SOLV H ATOM 17177 H2 TIP3 5049 46.396 60.422 23.237 1.00 0.00 SOLV H ATOM 17178 OH2 TIP3 5050 40.483 58.071 35.567 1.00 0.00 SOLV O ATOM 17179 H1 TIP3 5050 39.914 57.289 35.695 1.00 0.00 SOLV H ATOM 17180 H2 TIP3 5050 41.301 57.764 36.008 1.00 0.00 SOLV H ATOM 17181 OH2 TIP3 5051 42.595 57.266 37.220 1.00 0.00 SOLV O ATOM 17182 H1 TIP3 5051 43.459 56.891 36.986 1.00 0.00 SOLV H ATOM 17183 H2 TIP3 5051 42.154 56.492 37.631 1.00 0.00 SOLV H ATOM 17184 OH2 TIP3 5052 51.160 56.779 37.288 1.00 0.00 SOLV O ATOM 17185 H1 TIP3 5052 50.995 56.280 38.118 1.00 0.00 SOLV H ATOM 17186 H2 TIP3 5052 52.105 56.577 37.130 1.00 0.00 SOLV H ATOM 17187 OH2 TIP3 5053 68.418 66.266 25.484 1.00 0.00 SOLV O ATOM 17188 H1 TIP3 5053 68.293 66.875 26.226 1.00 0.00 SOLV H ATOM 17189 H2 TIP3 5053 67.709 66.521 24.883 1.00 0.00 SOLV H ATOM 17190 OH2 TIP3 5054 67.103 65.869 29.299 1.00 0.00 SOLV O ATOM 17191 H1 TIP3 5054 67.973 65.478 29.521 1.00 0.00 SOLV H ATOM 17192 H2 TIP3 5054 66.622 65.090 28.962 1.00 0.00 SOLV H ATOM 17193 OH2 TIP3 5055 59.652 65.457 30.946 1.00 0.00 SOLV O ATOM 17194 H1 TIP3 5055 59.653 64.607 31.422 1.00 0.00 SOLV H ATOM 17195 H2 TIP3 5055 60.551 65.766 31.129 1.00 0.00 SOLV H ATOM 17196 OH2 TIP3 5056 57.497 63.270 24.577 1.00 0.00 SOLV O ATOM 17197 H1 TIP3 5056 57.177 64.146 24.865 1.00 0.00 SOLV H ATOM 17198 H2 TIP3 5056 56.878 63.109 23.842 1.00 0.00 SOLV H ATOM 17199 OH2 TIP3 5057 57.824 65.827 27.214 1.00 0.00 SOLV O ATOM 17200 H1 TIP3 5057 58.329 64.995 27.233 1.00 0.00 SOLV H ATOM 17201 H2 TIP3 5057 58.213 66.288 26.430 1.00 0.00 SOLV H ATOM 17202 OH2 TIP3 5058 65.623 68.020 30.128 1.00 0.00 SOLV O ATOM 17203 H1 TIP3 5058 66.067 67.207 29.786 1.00 0.00 SOLV H ATOM 17204 H2 TIP3 5058 66.399 68.392 30.613 1.00 0.00 SOLV H ATOM 17205 OH2 TIP3 5059 68.700 61.518 30.378 1.00 0.00 SOLV O ATOM 17206 H1 TIP3 5059 69.122 60.899 29.764 1.00 0.00 SOLV H ATOM 17207 H2 TIP3 5059 68.669 62.328 29.848 1.00 0.00 SOLV H ATOM 17208 OH2 TIP3 5060 62.335 60.926 27.296 1.00 0.00 SOLV O ATOM 17209 H1 TIP3 5060 62.405 61.764 26.799 1.00 0.00 SOLV H ATOM 17210 H2 TIP3 5060 61.867 60.364 26.643 1.00 0.00 SOLV H ATOM 17211 OH2 TIP3 5061 58.808 63.192 28.032 1.00 0.00 SOLV O ATOM 17212 H1 TIP3 5061 59.468 62.775 28.614 1.00 0.00 SOLV H ATOM 17213 H2 TIP3 5061 59.095 62.837 27.164 1.00 0.00 SOLV H ATOM 17214 OH2 TIP3 5062 63.707 64.616 27.636 1.00 0.00 SOLV O ATOM 17215 H1 TIP3 5062 64.500 64.118 27.938 1.00 0.00 SOLV H ATOM 17216 H2 TIP3 5062 63.326 63.992 26.979 1.00 0.00 SOLV H ATOM 17217 OH2 TIP3 5063 60.950 59.888 31.626 1.00 0.00 SOLV O ATOM 17218 H1 TIP3 5063 60.717 60.435 30.851 1.00 0.00 SOLV H ATOM 17219 H2 TIP3 5063 60.212 60.105 32.232 1.00 0.00 SOLV H ATOM 17220 OH2 TIP3 5064 63.366 67.680 31.485 1.00 0.00 SOLV O ATOM 17221 H1 TIP3 5064 62.720 68.226 30.999 1.00 0.00 SOLV H ATOM 17222 H2 TIP3 5064 64.192 67.885 30.989 1.00 0.00 SOLV H ATOM 17223 OH2 TIP3 5065 60.650 61.500 29.376 1.00 0.00 SOLV O ATOM 17224 H1 TIP3 5065 61.287 62.030 29.904 1.00 0.00 SOLV H ATOM 17225 H2 TIP3 5065 61.269 61.142 28.695 1.00 0.00 SOLV H ATOM 17226 OH2 TIP3 5066 67.278 65.764 22.775 1.00 0.00 SOLV O ATOM 17227 H1 TIP3 5066 66.445 66.295 22.769 1.00 0.00 SOLV H ATOM 17228 H2 TIP3 5066 67.897 66.462 22.531 1.00 0.00 SOLV H ATOM 17229 OH2 TIP3 5067 67.187 64.531 20.097 1.00 0.00 SOLV O ATOM 17230 H1 TIP3 5067 67.278 64.563 21.065 1.00 0.00 SOLV H ATOM 17231 H2 TIP3 5067 67.482 63.640 19.862 1.00 0.00 SOLV H ATOM 17232 OH2 TIP3 5068 62.139 66.554 26.447 1.00 0.00 SOLV O ATOM 17233 H1 TIP3 5068 61.869 66.225 25.567 1.00 0.00 SOLV H ATOM 17234 H2 TIP3 5068 62.672 65.811 26.797 1.00 0.00 SOLV H ATOM 17235 OH2 TIP3 5069 62.517 65.384 29.984 1.00 0.00 SOLV O ATOM 17236 H1 TIP3 5069 62.961 65.218 29.121 1.00 0.00 SOLV H ATOM 17237 H2 TIP3 5069 63.037 66.116 30.351 1.00 0.00 SOLV H ATOM 17238 OH2 TIP3 5070 60.551 65.663 33.969 1.00 0.00 SOLV O ATOM 17239 H1 TIP3 5070 60.692 66.447 34.546 1.00 0.00 SOLV H ATOM 17240 H2 TIP3 5070 59.575 65.699 33.870 1.00 0.00 SOLV H ATOM 17241 OH2 TIP3 5071 61.444 65.891 23.710 1.00 0.00 SOLV O ATOM 17242 H1 TIP3 5071 60.669 66.471 23.910 1.00 0.00 SOLV H ATOM 17243 H2 TIP3 5071 60.995 65.044 23.617 1.00 0.00 SOLV H ATOM 17244 OH2 TIP3 5072 57.137 68.081 32.715 1.00 0.00 SOLV O ATOM 17245 H1 TIP3 5072 56.756 68.095 31.816 1.00 0.00 SOLV H ATOM 17246 H2 TIP3 5072 57.564 67.208 32.754 1.00 0.00 SOLV H ATOM 17247 OH2 TIP3 5073 62.180 58.630 29.434 1.00 0.00 SOLV O ATOM 17248 H1 TIP3 5073 61.455 58.093 29.090 1.00 0.00 SOLV H ATOM 17249 H2 TIP3 5073 61.849 58.867 30.313 1.00 0.00 SOLV H ATOM 17250 OH2 TIP3 5074 66.933 57.290 33.150 1.00 0.00 SOLV O ATOM 17251 H1 TIP3 5074 66.946 56.910 34.043 1.00 0.00 SOLV H ATOM 17252 H2 TIP3 5074 65.956 57.347 33.018 1.00 0.00 SOLV H ATOM 17253 OH2 TIP3 5075 66.706 59.835 20.591 1.00 0.00 SOLV O ATOM 17254 H1 TIP3 5075 66.087 59.777 21.344 1.00 0.00 SOLV H ATOM 17255 H2 TIP3 5075 66.195 59.329 19.930 1.00 0.00 SOLV H ATOM 17256 OH2 TIP3 5076 62.319 62.926 31.050 1.00 0.00 SOLV O ATOM 17257 H1 TIP3 5076 61.594 63.042 31.701 1.00 0.00 SOLV H ATOM 17258 H2 TIP3 5076 62.390 63.837 30.682 1.00 0.00 SOLV H ATOM 17259 OH2 TIP3 5077 62.288 63.189 25.801 1.00 0.00 SOLV O ATOM 17260 H1 TIP3 5077 61.317 63.034 25.792 1.00 0.00 SOLV H ATOM 17261 H2 TIP3 5077 62.505 62.870 24.898 1.00 0.00 SOLV H ATOM 17262 OH2 TIP3 5078 67.531 63.432 24.459 1.00 0.00 SOLV O ATOM 17263 H1 TIP3 5078 67.281 64.369 24.528 1.00 0.00 SOLV H ATOM 17264 H2 TIP3 5078 67.468 63.310 23.503 1.00 0.00 SOLV H ATOM 17265 OH2 TIP3 5079 66.914 63.569 35.712 1.00 0.00 SOLV O ATOM 17266 H1 TIP3 5079 66.493 62.852 36.229 1.00 0.00 SOLV H ATOM 17267 H2 TIP3 5079 67.607 63.888 36.306 1.00 0.00 SOLV H ATOM 17268 OH2 TIP3 5080 68.209 62.583 27.495 1.00 0.00 SOLV O ATOM 17269 H1 TIP3 5080 68.180 63.216 26.769 1.00 0.00 SOLV H ATOM 17270 H2 TIP3 5080 68.613 61.808 27.053 1.00 0.00 SOLV H ATOM 17271 OH2 TIP3 5081 60.066 63.146 32.577 1.00 0.00 SOLV O ATOM 17272 H1 TIP3 5081 60.094 63.728 33.355 1.00 0.00 SOLV H ATOM 17273 H2 TIP3 5081 59.671 62.325 32.932 1.00 0.00 SOLV H ATOM 17274 OH2 TIP3 5082 63.425 60.600 19.330 1.00 0.00 SOLV O ATOM 17275 H1 TIP3 5082 63.012 60.432 20.201 1.00 0.00 SOLV H ATOM 17276 H2 TIP3 5082 62.815 61.283 18.982 1.00 0.00 SOLV H ATOM 17277 OH2 TIP3 5083 56.638 60.019 26.657 1.00 0.00 SOLV O ATOM 17278 H1 TIP3 5083 57.217 60.206 27.421 1.00 0.00 SOLV H ATOM 17279 H2 TIP3 5083 57.242 60.075 25.905 1.00 0.00 SOLV H ATOM 17280 OH2 TIP3 5084 57.460 60.969 21.822 1.00 0.00 SOLV O ATOM 17281 H1 TIP3 5084 58.163 61.392 21.282 1.00 0.00 SOLV H ATOM 17282 H2 TIP3 5084 56.953 61.767 22.068 1.00 0.00 SOLV H ATOM 17283 OH2 TIP3 5085 68.215 64.324 32.344 1.00 0.00 SOLV O ATOM 17284 H1 TIP3 5085 68.468 64.054 31.441 1.00 0.00 SOLV H ATOM 17285 H2 TIP3 5085 67.498 63.691 32.547 1.00 0.00 SOLV H ATOM 17286 OH2 TIP3 5086 65.040 60.518 26.868 1.00 0.00 SOLV O ATOM 17287 H1 TIP3 5086 64.140 60.550 27.256 1.00 0.00 SOLV H ATOM 17288 H2 TIP3 5086 65.518 59.962 27.513 1.00 0.00 SOLV H ATOM 17289 OH2 TIP3 5087 59.759 62.225 25.644 1.00 0.00 SOLV O ATOM 17290 H1 TIP3 5087 58.965 62.524 25.136 1.00 0.00 SOLV H ATOM 17291 H2 TIP3 5087 59.948 61.348 25.257 1.00 0.00 SOLV H ATOM 17292 OH2 TIP3 5088 62.762 62.135 23.349 1.00 0.00 SOLV O ATOM 17293 H1 TIP3 5088 63.728 62.112 23.499 1.00 0.00 SOLV H ATOM 17294 H2 TIP3 5088 62.675 62.616 22.491 1.00 0.00 SOLV H ATOM 17295 OH2 TIP3 5089 62.425 63.225 20.899 1.00 0.00 SOLV O ATOM 17296 H1 TIP3 5089 61.828 63.033 20.154 1.00 0.00 SOLV H ATOM 17297 H2 TIP3 5089 63.174 63.648 20.426 1.00 0.00 SOLV H ATOM 17298 OH2 TIP3 5090 60.659 67.558 35.960 1.00 0.00 SOLV O ATOM 17299 H1 TIP3 5090 61.155 67.530 36.799 1.00 0.00 SOLV H ATOM 17300 H2 TIP3 5090 59.762 67.767 36.285 1.00 0.00 SOLV H ATOM 17301 OH2 TIP3 5091 65.826 63.268 28.665 1.00 0.00 SOLV O ATOM 17302 H1 TIP3 5091 66.618 62.841 28.274 1.00 0.00 SOLV H ATOM 17303 H2 TIP3 5091 65.546 62.593 29.318 1.00 0.00 SOLV H ATOM 17304 OH2 TIP3 5092 60.957 59.604 25.273 1.00 0.00 SOLV O ATOM 17305 H1 TIP3 5092 60.374 58.850 25.518 1.00 0.00 SOLV H ATOM 17306 H2 TIP3 5092 61.513 59.191 24.600 1.00 0.00 SOLV H ATOM 17307 OH2 TIP3 5093 64.830 61.884 30.983 1.00 0.00 SOLV O ATOM 17308 H1 TIP3 5093 63.960 62.336 31.017 1.00 0.00 SOLV H ATOM 17309 H2 TIP3 5093 65.299 62.269 31.755 1.00 0.00 SOLV H ATOM 17310 OH2 TIP3 5094 65.339 67.601 22.757 1.00 0.00 SOLV O ATOM 17311 H1 TIP3 5094 64.529 67.420 22.235 1.00 0.00 SOLV H ATOM 17312 H2 TIP3 5094 64.943 67.789 23.639 1.00 0.00 SOLV H ATOM 17313 OH2 TIP3 5095 66.923 67.806 34.460 1.00 0.00 SOLV O ATOM 17314 H1 TIP3 5095 67.119 67.318 35.279 1.00 0.00 SOLV H ATOM 17315 H2 TIP3 5095 65.960 67.886 34.500 1.00 0.00 SOLV H ATOM 17316 OH2 TIP3 5096 60.655 67.472 28.604 1.00 0.00 SOLV O ATOM 17317 H1 TIP3 5096 61.115 67.234 27.770 1.00 0.00 SOLV H ATOM 17318 H2 TIP3 5096 60.627 66.621 29.059 1.00 0.00 SOLV H ATOM 17319 OH2 TIP3 5097 57.817 65.434 33.843 1.00 0.00 SOLV O ATOM 17320 H1 TIP3 5097 57.523 65.072 34.701 1.00 0.00 SOLV H ATOM 17321 H2 TIP3 5097 57.072 65.169 33.273 1.00 0.00 SOLV H ATOM 17322 OH2 TIP3 5098 64.712 65.309 36.020 1.00 0.00 SOLV O ATOM 17323 H1 TIP3 5098 64.070 64.902 35.401 1.00 0.00 SOLV H ATOM 17324 H2 TIP3 5098 65.540 64.868 35.739 1.00 0.00 SOLV H ATOM 17325 OH2 TIP3 5099 58.672 65.528 20.671 1.00 0.00 SOLV O ATOM 17326 H1 TIP3 5099 59.040 66.280 21.160 1.00 0.00 SOLV H ATOM 17327 H2 TIP3 5099 57.747 65.538 21.010 1.00 0.00 SOLV H ATOM 17328 OH2 TIP3 5100 64.296 67.874 25.249 1.00 0.00 SOLV O ATOM 17329 H1 TIP3 5100 64.115 68.812 25.461 1.00 0.00 SOLV H ATOM 17330 H2 TIP3 5100 63.554 67.438 25.707 1.00 0.00 SOLV H ATOM 17331 OH2 TIP3 5101 68.028 68.372 31.273 1.00 0.00 SOLV O ATOM 17332 H1 TIP3 5101 68.180 67.937 32.122 1.00 0.00 SOLV H ATOM 17333 H2 TIP3 5101 68.748 67.986 30.726 1.00 0.00 SOLV H ATOM 17334 OH2 TIP3 5102 58.892 60.599 33.296 1.00 0.00 SOLV O ATOM 17335 H1 TIP3 5102 57.940 60.759 33.137 1.00 0.00 SOLV H ATOM 17336 H2 TIP3 5102 58.869 59.859 33.923 1.00 0.00 SOLV H ATOM 17337 OH2 TIP3 5103 67.441 60.159 33.366 1.00 0.00 SOLV O ATOM 17338 H1 TIP3 5103 68.315 59.755 33.348 1.00 0.00 SOLV H ATOM 17339 H2 TIP3 5103 66.916 59.495 32.902 1.00 0.00 SOLV H ATOM 17340 OH2 TIP3 5104 67.988 60.404 23.606 1.00 0.00 SOLV O ATOM 17341 H1 TIP3 5104 68.174 60.542 22.666 1.00 0.00 SOLV H ATOM 17342 H2 TIP3 5104 68.650 60.971 24.033 1.00 0.00 SOLV H ATOM 17343 OH2 TIP3 5105 65.284 61.727 24.428 1.00 0.00 SOLV O ATOM 17344 H1 TIP3 5105 66.097 62.228 24.624 1.00 0.00 SOLV H ATOM 17345 H2 TIP3 5105 65.114 61.326 25.315 1.00 0.00 SOLV H ATOM 17346 OH2 TIP3 5106 66.271 62.602 33.191 1.00 0.00 SOLV O ATOM 17347 H1 TIP3 5106 66.478 62.912 34.099 1.00 0.00 SOLV H ATOM 17348 H2 TIP3 5106 66.706 61.717 33.195 1.00 0.00 SOLV H ATOM 17349 OH2 TIP3 5107 66.427 58.629 24.954 1.00 0.00 SOLV O ATOM 17350 H1 TIP3 5107 66.385 58.996 25.858 1.00 0.00 SOLV H ATOM 17351 H2 TIP3 5107 66.903 59.359 24.493 1.00 0.00 SOLV H ATOM 17352 OH2 TIP3 5108 62.366 59.900 21.791 1.00 0.00 SOLV O ATOM 17353 H1 TIP3 5108 62.271 60.669 22.392 1.00 0.00 SOLV H ATOM 17354 H2 TIP3 5108 63.250 59.581 22.072 1.00 0.00 SOLV H ATOM 17355 OH2 TIP3 5109 58.722 62.804 20.239 1.00 0.00 SOLV O ATOM 17356 H1 TIP3 5109 58.917 63.707 20.559 1.00 0.00 SOLV H ATOM 17357 H2 TIP3 5109 58.101 62.991 19.526 1.00 0.00 SOLV H ATOM 17358 OH2 TIP3 5110 59.536 57.615 28.650 1.00 0.00 SOLV O ATOM 17359 H1 TIP3 5110 59.591 57.623 27.670 1.00 0.00 SOLV H ATOM 17360 H2 TIP3 5110 59.155 56.740 28.809 1.00 0.00 SOLV H ATOM 17361 OH2 TIP3 5111 58.058 67.788 36.879 1.00 0.00 SOLV O ATOM 17362 H1 TIP3 5111 58.077 66.811 36.892 1.00 0.00 SOLV H ATOM 17363 H2 TIP3 5111 57.296 67.965 36.285 1.00 0.00 SOLV H ATOM 17364 OH2 TIP3 5112 62.209 67.737 19.343 1.00 0.00 SOLV O ATOM 17365 H1 TIP3 5112 62.474 67.337 20.202 1.00 0.00 SOLV H ATOM 17366 H2 TIP3 5112 63.064 67.742 18.865 1.00 0.00 SOLV H ATOM 17367 OH2 TIP3 5113 64.139 68.037 36.380 1.00 0.00 SOLV O ATOM 17368 H1 TIP3 5113 63.883 68.280 35.475 1.00 0.00 SOLV H ATOM 17369 H2 TIP3 5113 64.464 67.119 36.271 1.00 0.00 SOLV H ATOM 17370 OH2 TIP3 5114 58.775 65.051 36.845 1.00 0.00 SOLV O ATOM 17371 H1 TIP3 5114 59.634 64.714 36.563 1.00 0.00 SOLV H ATOM 17372 H2 TIP3 5114 58.908 65.189 37.806 1.00 0.00 SOLV H ATOM 17373 OH2 TIP3 5115 63.134 66.495 21.563 1.00 0.00 SOLV O ATOM 17374 H1 TIP3 5115 62.549 66.242 22.311 1.00 0.00 SOLV H ATOM 17375 H2 TIP3 5115 63.424 65.634 21.209 1.00 0.00 SOLV H ATOM 17376 OH2 TIP3 5116 62.847 64.202 34.185 1.00 0.00 SOLV O ATOM 17377 H1 TIP3 5116 62.065 64.767 33.997 1.00 0.00 SOLV H ATOM 17378 H2 TIP3 5116 63.521 64.609 33.590 1.00 0.00 SOLV H ATOM 17379 OH2 TIP3 5117 64.480 64.619 19.820 1.00 0.00 SOLV O ATOM 17380 H1 TIP3 5117 64.452 64.891 18.879 1.00 0.00 SOLV H ATOM 17381 H2 TIP3 5117 65.447 64.638 19.961 1.00 0.00 SOLV H ATOM 17382 OH2 TIP3 5118 67.590 66.446 37.054 1.00 0.00 SOLV O ATOM 17383 H1 TIP3 5118 68.253 67.001 37.494 1.00 0.00 SOLV H ATOM 17384 H2 TIP3 5118 67.407 65.767 37.727 1.00 0.00 SOLV H ATOM 17385 OH2 TIP3 5119 63.233 61.659 34.922 1.00 0.00 SOLV O ATOM 17386 H1 TIP3 5119 63.326 61.072 34.140 1.00 0.00 SOLV H ATOM 17387 H2 TIP3 5119 63.116 62.541 34.497 1.00 0.00 SOLV H ATOM 17388 OH2 TIP3 5120 63.483 60.011 32.674 1.00 0.00 SOLV O ATOM 17389 H1 TIP3 5120 63.990 60.490 31.990 1.00 0.00 SOLV H ATOM 17390 H2 TIP3 5120 62.586 59.989 32.273 1.00 0.00 SOLV H ATOM 17391 OH2 TIP3 5121 64.691 65.509 32.832 1.00 0.00 SOLV O ATOM 17392 H1 TIP3 5121 65.605 65.422 32.528 1.00 0.00 SOLV H ATOM 17393 H2 TIP3 5121 64.355 66.290 32.358 1.00 0.00 SOLV H ATOM 17394 OH2 TIP3 5122 61.643 62.308 37.176 1.00 0.00 SOLV O ATOM 17395 H1 TIP3 5122 60.829 61.788 37.004 1.00 0.00 SOLV H ATOM 17396 H2 TIP3 5122 62.099 62.235 36.313 1.00 0.00 SOLV H ATOM 17397 OH2 TIP3 5123 64.232 57.300 32.962 1.00 0.00 SOLV O ATOM 17398 H1 TIP3 5123 63.815 58.165 32.777 1.00 0.00 SOLV H ATOM 17399 H2 TIP3 5123 63.952 56.776 32.170 1.00 0.00 SOLV H ATOM 17400 OH2 TIP3 5124 65.396 61.465 36.561 1.00 0.00 SOLV O ATOM 17401 H1 TIP3 5124 64.842 61.083 37.275 1.00 0.00 SOLV H ATOM 17402 H2 TIP3 5124 64.700 61.538 35.867 1.00 0.00 SOLV H ATOM 17403 OH2 TIP3 5125 68.024 60.520 36.363 1.00 0.00 SOLV O ATOM 17404 H1 TIP3 5125 67.160 60.956 36.224 1.00 0.00 SOLV H ATOM 17405 H2 TIP3 5125 67.731 59.603 36.399 1.00 0.00 SOLV H ATOM 17406 OH2 TIP3 5126 59.549 60.509 36.809 1.00 0.00 SOLV O ATOM 17407 H1 TIP3 5126 59.518 59.687 36.275 1.00 0.00 SOLV H ATOM 17408 H2 TIP3 5126 59.627 60.140 37.711 1.00 0.00 SOLV H ATOM 17409 OH2 TIP3 5127 64.193 56.651 35.770 1.00 0.00 SOLV O ATOM 17410 H1 TIP3 5127 64.962 56.049 35.713 1.00 0.00 SOLV H ATOM 17411 H2 TIP3 5127 64.069 56.870 34.822 1.00 0.00 SOLV H ATOM 17412 OH2 TIP3 5128 65.151 58.396 37.797 1.00 0.00 SOLV O ATOM 17413 H1 TIP3 5128 64.829 57.816 37.080 1.00 0.00 SOLV H ATOM 17414 H2 TIP3 5128 64.424 59.045 37.869 1.00 0.00 SOLV H ATOM 17415 OH2 TIP3 5129 57.292 66.334 29.870 1.00 0.00 SOLV O ATOM 17416 H1 TIP3 5129 57.437 66.204 28.903 1.00 0.00 SOLV H ATOM 17417 H2 TIP3 5129 58.196 66.123 30.202 1.00 0.00 SOLV H ATOM 17418 OH2 TIP3 5130 57.193 61.581 35.881 1.00 0.00 SOLV O ATOM 17419 H1 TIP3 5130 58.096 61.363 36.194 1.00 0.00 SOLV H ATOM 17420 H2 TIP3 5130 56.754 60.714 35.996 1.00 0.00 SOLV H ATOM 17421 OH2 TIP3 5131 58.219 60.056 28.963 1.00 0.00 SOLV O ATOM 17422 H1 TIP3 5131 58.657 59.180 28.943 1.00 0.00 SOLV H ATOM 17423 H2 TIP3 5131 58.986 60.639 29.111 1.00 0.00 SOLV H ATOM 17424 OH2 TIP3 5132 56.491 62.908 29.646 1.00 0.00 SOLV O ATOM 17425 H1 TIP3 5132 57.206 62.942 28.977 1.00 0.00 SOLV H ATOM 17426 H2 TIP3 5132 56.734 63.651 30.209 1.00 0.00 SOLV H ATOM 17427 OH2 TIP3 5133 57.068 59.055 23.701 1.00 0.00 SOLV O ATOM 17428 H1 TIP3 5133 56.107 59.133 23.815 1.00 0.00 SOLV H ATOM 17429 H2 TIP3 5133 57.263 59.819 23.118 1.00 0.00 SOLV H ATOM 17430 OH2 TIP3 5134 56.976 57.803 32.184 1.00 0.00 SOLV O ATOM 17431 H1 TIP3 5134 56.242 57.870 32.817 1.00 0.00 SOLV H ATOM 17432 H2 TIP3 5134 56.691 58.462 31.515 1.00 0.00 SOLV H ATOM 17433 OH2 TIP3 5135 66.657 58.501 27.990 1.00 0.00 SOLV O ATOM 17434 H1 TIP3 5135 66.352 58.053 28.794 1.00 0.00 SOLV H ATOM 17435 H2 TIP3 5135 67.440 57.980 27.781 1.00 0.00 SOLV H ATOM 17436 OH2 TIP3 5136 59.450 57.402 25.905 1.00 0.00 SOLV O ATOM 17437 H1 TIP3 5136 58.512 57.278 25.642 1.00 0.00 SOLV H ATOM 17438 H2 TIP3 5136 59.787 56.489 25.787 1.00 0.00 SOLV H ATOM 17439 OH2 TIP3 5137 58.296 57.280 21.904 1.00 0.00 SOLV O ATOM 17440 H1 TIP3 5137 58.816 57.917 21.384 1.00 0.00 SOLV H ATOM 17441 H2 TIP3 5137 57.913 57.854 22.601 1.00 0.00 SOLV H ATOM 17442 OH2 TIP3 5138 63.906 57.014 26.047 1.00 0.00 SOLV O ATOM 17443 H1 TIP3 5138 64.751 57.451 25.866 1.00 0.00 SOLV H ATOM 17444 H2 TIP3 5138 63.763 57.212 26.982 1.00 0.00 SOLV H ATOM 17445 OH2 TIP3 5139 60.223 58.974 20.230 1.00 0.00 SOLV O ATOM 17446 H1 TIP3 5139 60.750 58.410 19.633 1.00 0.00 SOLV H ATOM 17447 H2 TIP3 5139 60.914 59.299 20.846 1.00 0.00 SOLV H ATOM 17448 OH2 TIP3 5140 64.957 59.573 22.726 1.00 0.00 SOLV O ATOM 17449 H1 TIP3 5140 65.265 58.882 23.338 1.00 0.00 SOLV H ATOM 17450 H2 TIP3 5140 65.117 60.369 23.278 1.00 0.00 SOLV H ATOM 17451 OH2 TIP3 5141 59.331 58.100 35.493 1.00 0.00 SOLV O ATOM 17452 H1 TIP3 5141 58.767 57.319 35.625 1.00 0.00 SOLV H ATOM 17453 H2 TIP3 5141 60.148 57.819 35.954 1.00 0.00 SOLV H ATOM 17454 OH2 TIP3 5142 61.432 57.338 37.160 1.00 0.00 SOLV O ATOM 17455 H1 TIP3 5142 62.299 57.064 36.809 1.00 0.00 SOLV H ATOM 17456 H2 TIP3 5142 61.108 56.530 37.606 1.00 0.00 SOLV H ATOM 17457 OH2 TIP3 5143 12.104 10.155 44.653 1.00 0.00 SOLV O ATOM 17458 H1 TIP3 5143 11.942 11.115 44.559 1.00 0.00 SOLV H ATOM 17459 H2 TIP3 5143 11.375 9.799 44.116 1.00 0.00 SOLV H ATOM 17460 OH2 TIP3 5144 10.882 9.368 48.481 1.00 0.00 SOLV O ATOM 17461 H1 TIP3 5144 11.072 8.962 49.354 1.00 0.00 SOLV H ATOM 17462 H2 TIP3 5144 10.460 8.614 48.031 1.00 0.00 SOLV H ATOM 17463 OH2 TIP3 5145 2.983 8.808 49.765 1.00 0.00 SOLV O ATOM 17464 H1 TIP3 5145 3.006 8.018 50.342 1.00 0.00 SOLV H ATOM 17465 H2 TIP3 5145 3.902 9.107 49.851 1.00 0.00 SOLV H ATOM 17466 OH2 TIP3 5146 14.624 12.473 46.713 1.00 0.00 SOLV O ATOM 17467 H1 TIP3 5146 14.203 11.693 47.108 1.00 0.00 SOLV H ATOM 17468 H2 TIP3 5146 14.877 12.988 47.498 1.00 0.00 SOLV H ATOM 17469 OH2 TIP3 5147 4.309 13.580 48.241 1.00 0.00 SOLV O ATOM 17470 H1 TIP3 5147 4.119 12.666 47.929 1.00 0.00 SOLV H ATOM 17471 H2 TIP3 5147 5.253 13.490 48.445 1.00 0.00 SOLV H ATOM 17472 OH2 TIP3 5148 1.196 7.153 43.754 1.00 0.00 SOLV O ATOM 17473 H1 TIP3 5148 1.194 8.073 44.045 1.00 0.00 SOLV H ATOM 17474 H2 TIP3 5148 0.238 6.983 43.665 1.00 0.00 SOLV H ATOM 17475 OH2 TIP3 5149 1.919 9.263 46.360 1.00 0.00 SOLV O ATOM 17476 H1 TIP3 5149 2.244 8.338 46.420 1.00 0.00 SOLV H ATOM 17477 H2 TIP3 5149 2.591 9.696 45.824 1.00 0.00 SOLV H ATOM 17478 OH2 TIP3 5150 11.925 17.476 47.155 1.00 0.00 SOLV O ATOM 17479 H1 TIP3 5150 12.308 16.824 46.532 1.00 0.00 SOLV H ATOM 17480 H2 TIP3 5150 11.514 16.893 47.808 1.00 0.00 SOLV H ATOM 17481 OH2 TIP3 5151 9.240 11.854 48.833 1.00 0.00 SOLV O ATOM 17482 H1 TIP3 5151 9.635 11.048 48.451 1.00 0.00 SOLV H ATOM 17483 H2 TIP3 5151 10.002 12.130 49.387 1.00 0.00 SOLV H ATOM 17484 OH2 TIP3 5152 17.974 3.419 49.516 1.00 0.00 SOLV O ATOM 17485 H1 TIP3 5152 18.172 4.071 50.223 1.00 0.00 SOLV H ATOM 17486 H2 TIP3 5152 18.449 3.808 48.764 1.00 0.00 SOLV H ATOM 17487 OH2 TIP3 5153 12.448 6.166 48.850 1.00 0.00 SOLV O ATOM 17488 H1 TIP3 5153 12.679 5.233 49.003 1.00 0.00 SOLV H ATOM 17489 H2 TIP3 5153 12.290 6.162 47.886 1.00 0.00 SOLV H ATOM 17490 OH2 TIP3 5154 5.790 4.221 46.245 1.00 0.00 SOLV O ATOM 17491 H1 TIP3 5154 5.959 5.066 45.779 1.00 0.00 SOLV H ATOM 17492 H2 TIP3 5154 5.371 3.709 45.523 1.00 0.00 SOLV H ATOM 17493 OH2 TIP3 5155 13.606 4.461 44.509 1.00 0.00 SOLV O ATOM 17494 H1 TIP3 5155 14.099 4.163 45.311 1.00 0.00 SOLV H ATOM 17495 H2 TIP3 5155 14.342 4.836 43.990 1.00 0.00 SOLV H ATOM 17496 OH2 TIP3 5156 2.426 6.616 46.773 1.00 0.00 SOLV O ATOM 17497 H1 TIP3 5156 2.909 6.093 47.440 1.00 0.00 SOLV H ATOM 17498 H2 TIP3 5156 2.733 6.181 45.949 1.00 0.00 SOLV H ATOM 17499 OH2 TIP3 5157 7.218 8.126 46.513 1.00 0.00 SOLV O ATOM 17500 H1 TIP3 5157 8.074 7.726 46.785 1.00 0.00 SOLV H ATOM 17501 H2 TIP3 5157 6.876 7.443 45.893 1.00 0.00 SOLV H ATOM 17502 OH2 TIP3 5158 18.419 4.979 51.764 1.00 0.00 SOLV O ATOM 17503 H1 TIP3 5158 17.633 5.549 51.637 1.00 0.00 SOLV H ATOM 17504 H2 TIP3 5158 18.600 5.104 52.711 1.00 0.00 SOLV H ATOM 17505 OH2 TIP3 5159 4.521 3.185 50.391 1.00 0.00 SOLV O ATOM 17506 H1 TIP3 5159 4.220 3.770 49.668 1.00 0.00 SOLV H ATOM 17507 H2 TIP3 5159 3.857 3.404 51.079 1.00 0.00 SOLV H ATOM 17508 OH2 TIP3 5160 11.637 12.704 43.652 1.00 0.00 SOLV O ATOM 17509 H1 TIP3 5160 11.435 12.827 42.713 1.00 0.00 SOLV H ATOM 17510 H2 TIP3 5160 11.197 13.492 44.041 1.00 0.00 SOLV H ATOM 17511 OH2 TIP3 5161 7.155 10.935 50.323 1.00 0.00 SOLV O ATOM 17512 H1 TIP3 5161 6.625 11.677 50.683 1.00 0.00 SOLV H ATOM 17513 H2 TIP3 5161 7.862 11.407 49.833 1.00 0.00 SOLV H ATOM 17514 OH2 TIP3 5162 14.987 3.936 46.758 1.00 0.00 SOLV O ATOM 17515 H1 TIP3 5162 14.630 3.409 47.487 1.00 0.00 SOLV H ATOM 17516 H2 TIP3 5162 15.479 4.619 47.264 1.00 0.00 SOLV H ATOM 17517 OH2 TIP3 5163 4.051 4.884 48.243 1.00 0.00 SOLV O ATOM 17518 H1 TIP3 5163 4.646 5.452 48.785 1.00 0.00 SOLV H ATOM 17519 H2 TIP3 5163 4.695 4.584 47.557 1.00 0.00 SOLV H ATOM 17520 OH2 TIP3 5164 5.552 13.017 51.400 1.00 0.00 SOLV O ATOM 17521 H1 TIP3 5164 5.529 13.981 51.229 1.00 0.00 SOLV H ATOM 17522 H2 TIP3 5164 4.660 12.899 51.776 1.00 0.00 SOLV H ATOM 17523 OH2 TIP3 5165 1.512 12.510 41.865 1.00 0.00 SOLV O ATOM 17524 H1 TIP3 5165 0.777 12.964 41.428 1.00 0.00 SOLV H ATOM 17525 H2 TIP3 5165 1.633 13.049 42.665 1.00 0.00 SOLV H ATOM 17526 OH2 TIP3 5166 15.085 14.410 48.882 1.00 0.00 SOLV O ATOM 17527 H1 TIP3 5166 14.111 14.388 49.027 1.00 0.00 SOLV H ATOM 17528 H2 TIP3 5166 15.224 15.351 48.659 1.00 0.00 SOLV H ATOM 17529 OH2 TIP3 5167 15.574 2.592 50.665 1.00 0.00 SOLV O ATOM 17530 H1 TIP3 5167 14.787 2.749 50.124 1.00 0.00 SOLV H ATOM 17531 H2 TIP3 5167 16.302 2.826 50.049 1.00 0.00 SOLV H ATOM 17532 OH2 TIP3 5168 8.029 0.949 47.410 1.00 0.00 SOLV O ATOM 17533 H1 TIP3 5168 8.485 0.238 47.905 1.00 0.00 SOLV H ATOM 17534 H2 TIP3 5168 7.207 1.051 47.932 1.00 0.00 SOLV H ATOM 17535 OH2 TIP3 5169 13.163 16.015 45.097 1.00 0.00 SOLV O ATOM 17536 H1 TIP3 5169 13.579 15.137 44.922 1.00 0.00 SOLV H ATOM 17537 H2 TIP3 5169 13.966 16.581 45.056 1.00 0.00 SOLV H ATOM 17538 OH2 TIP3 5170 14.477 13.775 44.295 1.00 0.00 SOLV O ATOM 17539 H1 TIP3 5170 13.961 13.132 43.787 1.00 0.00 SOLV H ATOM 17540 H2 TIP3 5170 14.654 13.263 45.117 1.00 0.00 SOLV H ATOM 17541 OH2 TIP3 5171 16.175 12.379 52.417 1.00 0.00 SOLV O ATOM 17542 H1 TIP3 5171 16.110 11.732 51.681 1.00 0.00 SOLV H ATOM 17543 H2 TIP3 5171 16.338 13.216 51.940 1.00 0.00 SOLV H ATOM 17544 OH2 TIP3 5172 10.641 9.292 42.439 1.00 0.00 SOLV O ATOM 17545 H1 TIP3 5172 10.020 9.997 42.170 1.00 0.00 SOLV H ATOM 17546 H2 TIP3 5172 11.317 9.334 41.738 1.00 0.00 SOLV H ATOM 17547 OH2 TIP3 5173 10.753 8.017 39.033 1.00 0.00 SOLV O ATOM 17548 H1 TIP3 5173 11.323 8.240 39.792 1.00 0.00 SOLV H ATOM 17549 H2 TIP3 5173 11.343 7.400 38.550 1.00 0.00 SOLV H ATOM 17550 OH2 TIP3 5174 17.979 8.832 50.660 1.00 0.00 SOLV O ATOM 17551 H1 TIP3 5174 17.233 9.466 50.608 1.00 0.00 SOLV H ATOM 17552 H2 TIP3 5174 18.547 9.158 49.932 1.00 0.00 SOLV H ATOM 17553 OH2 TIP3 5175 14.224 9.536 43.068 1.00 0.00 SOLV O ATOM 17554 H1 TIP3 5175 13.527 9.718 43.743 1.00 0.00 SOLV H ATOM 17555 H2 TIP3 5175 14.870 9.044 43.620 1.00 0.00 SOLV H ATOM 17556 OH2 TIP3 5176 13.880 7.576 52.506 1.00 0.00 SOLV O ATOM 17557 H1 TIP3 5176 13.876 8.215 53.251 1.00 0.00 SOLV H ATOM 17558 H2 TIP3 5176 13.204 7.961 51.921 1.00 0.00 SOLV H ATOM 17559 OH2 TIP3 5177 5.736 10.089 45.245 1.00 0.00 SOLV O ATOM 17560 H1 TIP3 5177 5.493 9.722 44.368 1.00 0.00 SOLV H ATOM 17561 H2 TIP3 5177 6.298 9.375 45.619 1.00 0.00 SOLV H ATOM 17562 OH2 TIP3 5178 7.197 13.652 47.900 1.00 0.00 SOLV O ATOM 17563 H1 TIP3 5178 7.173 13.488 46.945 1.00 0.00 SOLV H ATOM 17564 H2 TIP3 5178 7.918 13.054 48.191 1.00 0.00 SOLV H ATOM 17565 OH2 TIP3 5179 5.956 8.879 48.903 1.00 0.00 SOLV O ATOM 17566 H1 TIP3 5179 6.482 8.718 48.090 1.00 0.00 SOLV H ATOM 17567 H2 TIP3 5179 6.456 9.608 49.332 1.00 0.00 SOLV H ATOM 17568 OH2 TIP3 5180 12.456 14.490 49.497 1.00 0.00 SOLV O ATOM 17569 H1 TIP3 5180 12.317 15.120 50.226 1.00 0.00 SOLV H ATOM 17570 H2 TIP3 5180 12.051 13.668 49.846 1.00 0.00 SOLV H ATOM 17571 OH2 TIP3 5181 7.230 13.417 53.539 1.00 0.00 SOLV O ATOM 17572 H1 TIP3 5181 6.569 13.982 53.988 1.00 0.00 SOLV H ATOM 17573 H2 TIP3 5181 6.709 13.108 52.770 1.00 0.00 SOLV H ATOM 17574 OH2 TIP3 5182 12.856 8.810 40.795 1.00 0.00 SOLV O ATOM 17575 H1 TIP3 5182 13.405 9.161 41.533 1.00 0.00 SOLV H ATOM 17576 H2 TIP3 5182 13.390 9.110 40.018 1.00 0.00 SOLV H ATOM 17577 OH2 TIP3 5183 3.933 9.298 52.976 1.00 0.00 SOLV O ATOM 17578 H1 TIP3 5183 4.010 10.101 53.524 1.00 0.00 SOLV H ATOM 17579 H2 TIP3 5183 2.976 9.280 52.783 1.00 0.00 SOLV H ATOM 17580 OH2 TIP3 5184 10.712 15.194 44.316 1.00 0.00 SOLV O ATOM 17581 H1 TIP3 5184 11.581 15.510 44.640 1.00 0.00 SOLV H ATOM 17582 H2 TIP3 5184 10.310 16.003 43.985 1.00 0.00 SOLV H ATOM 17583 OH2 TIP3 5185 5.131 15.199 54.257 1.00 0.00 SOLV O ATOM 17584 H1 TIP3 5185 5.102 15.448 53.314 1.00 0.00 SOLV H ATOM 17585 H2 TIP3 5185 4.185 15.082 54.464 1.00 0.00 SOLV H ATOM 17586 OH2 TIP3 5186 16.441 0.676 40.072 1.00 0.00 SOLV O ATOM 17587 H1 TIP3 5186 15.856 0.447 40.808 1.00 0.00 SOLV H ATOM 17588 H2 TIP3 5186 16.795 1.545 40.323 1.00 0.00 SOLV H ATOM 17589 OH2 TIP3 5187 4.867 9.260 42.669 1.00 0.00 SOLV O ATOM 17590 H1 TIP3 5187 4.348 9.884 42.116 1.00 0.00 SOLV H ATOM 17591 H2 TIP3 5187 4.403 8.427 42.524 1.00 0.00 SOLV H ATOM 17592 OH2 TIP3 5188 17.868 14.722 39.187 1.00 0.00 SOLV O ATOM 17593 H1 TIP3 5188 18.115 15.665 39.275 1.00 0.00 SOLV H ATOM 17594 H2 TIP3 5188 18.752 14.294 39.200 1.00 0.00 SOLV H ATOM 17595 OH2 TIP3 5189 1.412 11.575 51.829 1.00 0.00 SOLV O ATOM 17596 H1 TIP3 5189 0.891 11.607 51.014 1.00 0.00 SOLV H ATOM 17597 H2 TIP3 5189 1.262 10.653 52.120 1.00 0.00 SOLV H ATOM 17598 OH2 TIP3 5190 0.982 14.523 47.710 1.00 0.00 SOLV O ATOM 17599 H1 TIP3 5190 1.581 13.828 48.011 1.00 0.00 SOLV H ATOM 17600 H2 TIP3 5190 0.328 14.561 48.438 1.00 0.00 SOLV H ATOM 17601 OH2 TIP3 5191 18.766 15.199 54.267 1.00 0.00 SOLV O ATOM 17602 H1 TIP3 5191 18.640 14.229 54.268 1.00 0.00 SOLV H ATOM 17603 H2 TIP3 5191 17.888 15.482 54.611 1.00 0.00 SOLV H ATOM 17604 OH2 TIP3 5192 9.600 14.600 52.909 1.00 0.00 SOLV O ATOM 17605 H1 TIP3 5192 9.576 15.411 53.459 1.00 0.00 SOLV H ATOM 17606 H2 TIP3 5192 8.749 14.179 53.165 1.00 0.00 SOLV H ATOM 17607 OH2 TIP3 5193 10.460 18.184 42.823 1.00 0.00 SOLV O ATOM 17608 H1 TIP3 5193 10.114 18.274 41.920 1.00 0.00 SOLV H ATOM 17609 H2 TIP3 5193 10.124 18.995 43.252 1.00 0.00 SOLV H ATOM 17610 OH2 TIP3 5194 3.870 17.067 44.778 1.00 0.00 SOLV O ATOM 17611 H1 TIP3 5194 4.022 16.726 45.688 1.00 0.00 SOLV H ATOM 17612 H2 TIP3 5194 3.282 16.372 44.418 1.00 0.00 SOLV H ATOM 17613 OH2 TIP3 5195 13.164 17.611 39.627 1.00 0.00 SOLV O ATOM 17614 H1 TIP3 5195 13.693 16.860 39.274 1.00 0.00 SOLV H ATOM 17615 H2 TIP3 5195 13.275 17.483 40.594 1.00 0.00 SOLV H ATOM 17616 OH2 TIP3 5196 13.039 17.463 42.388 1.00 0.00 SOLV O ATOM 17617 H1 TIP3 5196 12.095 17.638 42.602 1.00 0.00 SOLV H ATOM 17618 H2 TIP3 5196 13.269 16.832 43.091 1.00 0.00 SOLV H ATOM 17619 OH2 TIP3 5197 15.927 6.400 54.540 1.00 0.00 SOLV O ATOM 17620 H1 TIP3 5197 15.062 6.669 54.205 1.00 0.00 SOLV H ATOM 17621 H2 TIP3 5197 15.947 5.449 54.317 1.00 0.00 SOLV H ATOM 17622 OH2 TIP3 5198 3.162 13.332 52.849 1.00 0.00 SOLV O ATOM 17623 H1 TIP3 5198 3.508 12.730 53.540 1.00 0.00 SOLV H ATOM 17624 H2 TIP3 5198 2.448 12.763 52.465 1.00 0.00 SOLV H ATOM 17625 OH2 TIP3 5199 5.638 1.047 48.991 1.00 0.00 SOLV O ATOM 17626 H1 TIP3 5199 4.874 1.071 48.379 1.00 0.00 SOLV H ATOM 17627 H2 TIP3 5199 5.374 1.791 49.574 1.00 0.00 SOLV H ATOM 17628 OH2 TIP3 5200 10.360 1.626 52.149 1.00 0.00 SOLV O ATOM 17629 H1 TIP3 5200 10.682 0.715 52.139 1.00 0.00 SOLV H ATOM 17630 H2 TIP3 5200 9.395 1.492 52.173 1.00 0.00 SOLV H ATOM 17631 OH2 TIP3 5201 13.493 4.896 52.795 1.00 0.00 SOLV O ATOM 17632 H1 TIP3 5201 12.822 4.783 53.511 1.00 0.00 SOLV H ATOM 17633 H2 TIP3 5201 13.527 5.870 52.683 1.00 0.00 SOLV H ATOM 17634 OH2 TIP3 5202 14.347 9.503 38.660 1.00 0.00 SOLV O ATOM 17635 H1 TIP3 5202 14.258 9.499 37.689 1.00 0.00 SOLV H ATOM 17636 H2 TIP3 5202 15.301 9.697 38.755 1.00 0.00 SOLV H ATOM 17637 OH2 TIP3 5203 10.000 3.551 39.416 1.00 0.00 SOLV O ATOM 17638 H1 TIP3 5203 9.393 3.333 40.154 1.00 0.00 SOLV H ATOM 17639 H2 TIP3 5203 9.669 2.935 38.728 1.00 0.00 SOLV H ATOM 17640 OH2 TIP3 5204 5.722 6.354 49.872 1.00 0.00 SOLV O ATOM 17641 H1 TIP3 5204 5.070 6.489 50.591 1.00 0.00 SOLV H ATOM 17642 H2 TIP3 5204 5.836 7.277 49.553 1.00 0.00 SOLV H ATOM 17643 OH2 TIP3 5205 5.915 6.496 44.738 1.00 0.00 SOLV O ATOM 17644 H1 TIP3 5205 4.951 6.320 44.654 1.00 0.00 SOLV H ATOM 17645 H2 TIP3 5205 6.197 6.250 43.830 1.00 0.00 SOLV H ATOM 17646 OH2 TIP3 5206 11.280 6.812 43.545 1.00 0.00 SOLV O ATOM 17647 H1 TIP3 5206 11.054 7.689 43.170 1.00 0.00 SOLV H ATOM 17648 H2 TIP3 5206 11.961 6.495 42.918 1.00 0.00 SOLV H ATOM 17649 OH2 TIP3 5207 10.310 7.078 54.608 1.00 0.00 SOLV O ATOM 17650 H1 TIP3 5207 9.948 6.214 54.893 1.00 0.00 SOLV H ATOM 17651 H2 TIP3 5207 10.690 7.344 55.477 1.00 0.00 SOLV H ATOM 17652 OH2 TIP3 5208 12.174 6.275 46.126 1.00 0.00 SOLV O ATOM 17653 H1 TIP3 5208 11.761 6.752 45.377 1.00 0.00 SOLV H ATOM 17654 H2 TIP3 5208 12.582 5.544 45.620 1.00 0.00 SOLV H ATOM 17655 OH2 TIP3 5209 3.507 6.593 51.489 1.00 0.00 SOLV O ATOM 17656 H1 TIP3 5209 3.822 7.006 52.309 1.00 0.00 SOLV H ATOM 17657 H2 TIP3 5209 3.129 5.749 51.815 1.00 0.00 SOLV H ATOM 17658 OH2 TIP3 5210 6.660 3.740 38.117 1.00 0.00 SOLV O ATOM 17659 H1 TIP3 5210 6.357 3.696 39.048 1.00 0.00 SOLV H ATOM 17660 H2 TIP3 5210 6.190 4.548 37.820 1.00 0.00 SOLV H ATOM 17661 OH2 TIP3 5211 0.607 3.945 45.120 1.00 0.00 SOLV O ATOM 17662 H1 TIP3 5211 0.962 3.827 46.027 1.00 0.00 SOLV H ATOM 17663 H2 TIP3 5211 0.877 3.117 44.706 1.00 0.00 SOLV H ATOM 17664 OH2 TIP3 5212 1.558 4.397 41.270 1.00 0.00 SOLV O ATOM 17665 H1 TIP3 5212 1.988 4.045 40.472 1.00 0.00 SOLV H ATOM 17666 H2 TIP3 5212 1.593 5.345 41.045 1.00 0.00 SOLV H ATOM 17667 OH2 TIP3 5213 11.430 7.886 50.676 1.00 0.00 SOLV O ATOM 17668 H1 TIP3 5213 11.850 7.257 50.043 1.00 0.00 SOLV H ATOM 17669 H2 TIP3 5213 10.862 7.262 51.178 1.00 0.00 SOLV H ATOM 17670 OH2 TIP3 5214 8.592 4.329 45.796 1.00 0.00 SOLV O ATOM 17671 H1 TIP3 5214 7.707 4.134 46.151 1.00 0.00 SOLV H ATOM 17672 H2 TIP3 5214 9.170 3.796 46.380 1.00 0.00 SOLV H ATOM 17673 OH2 TIP3 5215 3.402 5.557 44.432 1.00 0.00 SOLV O ATOM 17674 H1 TIP3 5215 2.588 5.850 43.964 1.00 0.00 SOLV H ATOM 17675 H2 TIP3 5215 3.572 4.670 44.058 1.00 0.00 SOLV H ATOM 17676 OH2 TIP3 5216 6.428 5.631 42.212 1.00 0.00 SOLV O ATOM 17677 H1 TIP3 5216 7.402 5.561 42.298 1.00 0.00 SOLV H ATOM 17678 H2 TIP3 5216 6.308 6.082 41.345 1.00 0.00 SOLV H ATOM 17679 OH2 TIP3 5217 12.748 3.335 48.790 1.00 0.00 SOLV O ATOM 17680 H1 TIP3 5217 12.315 3.441 49.670 1.00 0.00 SOLV H ATOM 17681 H2 TIP3 5217 11.985 3.067 48.253 1.00 0.00 SOLV H ATOM 17682 OH2 TIP3 5218 5.858 6.738 39.780 1.00 0.00 SOLV O ATOM 17683 H1 TIP3 5218 5.361 6.483 38.979 1.00 0.00 SOLV H ATOM 17684 H2 TIP3 5218 6.630 7.181 39.369 1.00 0.00 SOLV H ATOM 17685 OH2 TIP3 5219 16.100 18.910 55.431 1.00 0.00 SOLV O ATOM 17686 H1 TIP3 5219 16.418 19.224 54.569 1.00 0.00 SOLV H ATOM 17687 H2 TIP3 5219 16.882 19.078 55.998 1.00 0.00 SOLV H ATOM 17688 OH2 TIP3 5220 3.959 11.544 54.789 1.00 0.00 SOLV O ATOM 17689 H1 TIP3 5220 4.591 11.491 55.538 1.00 0.00 SOLV H ATOM 17690 H2 TIP3 5220 3.106 11.545 55.271 1.00 0.00 SOLV H ATOM 17691 OH2 TIP3 5221 9.478 6.928 47.605 1.00 0.00 SOLV O ATOM 17692 H1 TIP3 5221 10.154 6.415 47.137 1.00 0.00 SOLV H ATOM 17693 H2 TIP3 5221 9.163 6.285 48.270 1.00 0.00 SOLV H ATOM 17694 OH2 TIP3 5222 4.575 2.953 44.099 1.00 0.00 SOLV O ATOM 17695 H1 TIP3 5222 4.046 2.179 44.376 1.00 0.00 SOLV H ATOM 17696 H2 TIP3 5222 5.399 2.525 43.810 1.00 0.00 SOLV H ATOM 17697 OH2 TIP3 5223 8.325 5.417 49.969 1.00 0.00 SOLV O ATOM 17698 H1 TIP3 5223 7.467 5.883 50.023 1.00 0.00 SOLV H ATOM 17699 H2 TIP3 5223 8.832 5.794 50.721 1.00 0.00 SOLV H ATOM 17700 OH2 TIP3 5224 8.795 11.315 41.674 1.00 0.00 SOLV O ATOM 17701 H1 TIP3 5224 8.052 10.859 41.226 1.00 0.00 SOLV H ATOM 17702 H2 TIP3 5224 8.386 11.505 42.555 1.00 0.00 SOLV H ATOM 17703 OH2 TIP3 5225 15.963 10.696 50.238 1.00 0.00 SOLV O ATOM 17704 H1 TIP3 5225 16.497 11.281 49.663 1.00 0.00 SOLV H ATOM 17705 H2 TIP3 5225 15.192 10.485 49.669 1.00 0.00 SOLV H ATOM 17706 OH2 TIP3 5226 12.570 4.285 39.677 1.00 0.00 SOLV O ATOM 17707 H1 TIP3 5226 11.596 4.108 39.671 1.00 0.00 SOLV H ATOM 17708 H2 TIP3 5226 12.668 4.966 40.371 1.00 0.00 SOLV H ATOM 17709 OH2 TIP3 5227 10.293 11.695 52.828 1.00 0.00 SOLV O ATOM 17710 H1 TIP3 5227 10.580 11.256 53.642 1.00 0.00 SOLV H ATOM 17711 H2 TIP3 5227 10.033 12.575 53.134 1.00 0.00 SOLV H ATOM 17712 OH2 TIP3 5228 13.239 6.120 41.684 1.00 0.00 SOLV O ATOM 17713 H1 TIP3 5228 14.137 5.959 42.039 1.00 0.00 SOLV H ATOM 17714 H2 TIP3 5228 13.314 7.030 41.338 1.00 0.00 SOLV H ATOM 17715 OH2 TIP3 5229 4.258 11.007 47.398 1.00 0.00 SOLV O ATOM 17716 H1 TIP3 5229 4.832 10.739 46.650 1.00 0.00 SOLV H ATOM 17717 H2 TIP3 5229 4.137 10.170 47.864 1.00 0.00 SOLV H ATOM 17718 OH2 TIP3 5230 10.847 12.827 40.706 1.00 0.00 SOLV O ATOM 17719 H1 TIP3 5230 10.478 13.732 40.841 1.00 0.00 SOLV H ATOM 17720 H2 TIP3 5230 10.105 12.269 41.031 1.00 0.00 SOLV H ATOM 17721 OH2 TIP3 5231 1.124 8.975 52.678 1.00 0.00 SOLV O ATOM 17722 H1 TIP3 5231 0.901 8.579 53.535 1.00 0.00 SOLV H ATOM 17723 H2 TIP3 5231 0.456 8.537 52.095 1.00 0.00 SOLV H ATOM 17724 OH2 TIP3 5232 8.244 8.888 54.901 1.00 0.00 SOLV O ATOM 17725 H1 TIP3 5232 7.768 8.504 54.152 1.00 0.00 SOLV H ATOM 17726 H2 TIP3 5232 9.093 8.397 54.834 1.00 0.00 SOLV H ATOM 17727 OH2 TIP3 5233 12.443 14.310 52.819 1.00 0.00 SOLV O ATOM 17728 H1 TIP3 5233 11.473 14.357 52.731 1.00 0.00 SOLV H ATOM 17729 H2 TIP3 5233 12.545 14.485 53.780 1.00 0.00 SOLV H ATOM 17730 OH2 TIP3 5234 17.997 6.556 41.307 1.00 0.00 SOLV O ATOM 17731 H1 TIP3 5234 17.546 6.360 40.451 1.00 0.00 SOLV H ATOM 17732 H2 TIP3 5234 18.214 7.496 41.125 1.00 0.00 SOLV H ATOM 17733 OH2 TIP3 5235 18.388 12.334 54.031 1.00 0.00 SOLV O ATOM 17734 H1 TIP3 5235 17.461 12.425 53.721 1.00 0.00 SOLV H ATOM 17735 H2 TIP3 5235 18.843 12.149 53.179 1.00 0.00 SOLV H ATOM 17736 OH2 TIP3 5236 16.598 15.126 41.748 1.00 0.00 SOLV O ATOM 17737 H1 TIP3 5236 16.069 14.415 42.141 1.00 0.00 SOLV H ATOM 17738 H2 TIP3 5236 16.868 14.748 40.893 1.00 0.00 SOLV H ATOM 17739 OH2 TIP3 5237 13.808 10.048 48.492 1.00 0.00 SOLV O ATOM 17740 H1 TIP3 5237 12.844 9.933 48.411 1.00 0.00 SOLV H ATOM 17741 H2 TIP3 5237 14.122 9.247 48.023 1.00 0.00 SOLV H ATOM 17742 OH2 TIP3 5238 6.460 14.315 44.835 1.00 0.00 SOLV O ATOM 17743 H1 TIP3 5238 6.612 15.214 44.487 1.00 0.00 SOLV H ATOM 17744 H2 TIP3 5238 5.499 14.247 44.795 1.00 0.00 SOLV H ATOM 17745 OH2 TIP3 5239 2.167 9.039 39.405 1.00 0.00 SOLV O ATOM 17746 H1 TIP3 5239 2.840 9.558 39.902 1.00 0.00 SOLV H ATOM 17747 H2 TIP3 5239 1.368 9.504 39.689 1.00 0.00 SOLV H ATOM 17748 OH2 TIP3 5240 7.475 11.889 43.949 1.00 0.00 SOLV O ATOM 17749 H1 TIP3 5240 7.239 12.767 44.310 1.00 0.00 SOLV H ATOM 17750 H2 TIP3 5240 6.923 11.300 44.499 1.00 0.00 SOLV H ATOM 17751 OH2 TIP3 5241 8.300 16.112 50.726 1.00 0.00 SOLV O ATOM 17752 H1 TIP3 5241 8.964 16.808 50.544 1.00 0.00 SOLV H ATOM 17753 H2 TIP3 5241 8.824 15.491 51.265 1.00 0.00 SOLV H ATOM 17754 OH2 TIP3 5242 6.413 17.075 43.783 1.00 0.00 SOLV O ATOM 17755 H1 TIP3 5242 5.480 17.175 44.072 1.00 0.00 SOLV H ATOM 17756 H2 TIP3 5242 6.802 17.907 44.132 1.00 0.00 SOLV H ATOM 17757 OH2 TIP3 5243 11.484 12.037 50.408 1.00 0.00 SOLV O ATOM 17758 H1 TIP3 5243 11.066 11.858 51.282 1.00 0.00 SOLV H ATOM 17759 H2 TIP3 5243 12.169 11.354 50.392 1.00 0.00 SOLV H ATOM 17760 OH2 TIP3 5244 14.261 13.211 39.609 1.00 0.00 SOLV O ATOM 17761 H1 TIP3 5244 14.575 12.707 40.400 1.00 0.00 SOLV H ATOM 17762 H2 TIP3 5244 13.330 12.947 39.597 1.00 0.00 SOLV H ATOM 17763 OH2 TIP3 5245 14.422 16.482 52.746 1.00 0.00 SOLV O ATOM 17764 H1 TIP3 5245 13.620 15.998 52.458 1.00 0.00 SOLV H ATOM 17765 H2 TIP3 5245 14.465 17.213 52.097 1.00 0.00 SOLV H ATOM 17766 OH2 TIP3 5246 18.547 17.405 39.702 1.00 0.00 SOLV O ATOM 17767 H1 TIP3 5246 19.142 18.168 39.613 1.00 0.00 SOLV H ATOM 17768 H2 TIP3 5246 17.722 17.871 39.951 1.00 0.00 SOLV H ATOM 17769 OH2 TIP3 5247 2.632 3.967 52.238 1.00 0.00 SOLV O ATOM 17770 H1 TIP3 5247 1.824 3.589 51.826 1.00 0.00 SOLV H ATOM 17771 H2 TIP3 5247 2.755 3.354 52.990 1.00 0.00 SOLV H ATOM 17772 OH2 TIP3 5248 15.155 11.767 41.719 1.00 0.00 SOLV O ATOM 17773 H1 TIP3 5248 14.744 11.038 42.228 1.00 0.00 SOLV H ATOM 17774 H2 TIP3 5248 16.102 11.560 41.872 1.00 0.00 SOLV H ATOM 17775 OH2 TIP3 5249 2.124 15.530 50.683 1.00 0.00 SOLV O ATOM 17776 H1 TIP3 5249 2.701 14.755 50.819 1.00 0.00 SOLV H ATOM 17777 H2 TIP3 5249 2.476 16.149 51.340 1.00 0.00 SOLV H ATOM 17778 OH2 TIP3 5250 8.043 14.194 37.983 1.00 0.00 SOLV O ATOM 17779 H1 TIP3 5250 8.110 13.300 37.593 1.00 0.00 SOLV H ATOM 17780 H2 TIP3 5250 7.614 13.988 38.841 1.00 0.00 SOLV H ATOM 17781 OH2 TIP3 5251 6.873 13.835 40.440 1.00 0.00 SOLV O ATOM 17782 H1 TIP3 5251 7.345 13.294 41.089 1.00 0.00 SOLV H ATOM 17783 H2 TIP3 5251 6.980 14.741 40.810 1.00 0.00 SOLV H ATOM 17784 OH2 TIP3 5252 3.447 10.890 40.945 1.00 0.00 SOLV O ATOM 17785 H1 TIP3 5252 2.723 11.402 41.380 1.00 0.00 SOLV H ATOM 17786 H2 TIP3 5252 3.866 11.637 40.470 1.00 0.00 SOLV H ATOM 17787 OH2 TIP3 5253 11.598 3.847 51.184 1.00 0.00 SOLV O ATOM 17788 H1 TIP3 5253 12.334 4.090 51.786 1.00 0.00 SOLV H ATOM 17789 H2 TIP3 5253 11.183 3.087 51.654 1.00 0.00 SOLV H ATOM 17790 OH2 TIP3 5254 11.977 3.118 42.682 1.00 0.00 SOLV O ATOM 17791 H1 TIP3 5254 12.262 3.486 41.835 1.00 0.00 SOLV H ATOM 17792 H2 TIP3 5254 12.460 3.690 43.318 1.00 0.00 SOLV H ATOM 17793 OH2 TIP3 5255 9.825 15.307 41.014 1.00 0.00 SOLV O ATOM 17794 H1 TIP3 5255 8.904 15.560 41.220 1.00 0.00 SOLV H ATOM 17795 H2 TIP3 5255 10.197 16.182 40.821 1.00 0.00 SOLV H ATOM 17796 OH2 TIP3 5256 9.013 5.210 43.220 1.00 0.00 SOLV O ATOM 17797 H1 TIP3 5256 9.794 5.785 43.358 1.00 0.00 SOLV H ATOM 17798 H2 TIP3 5256 8.848 4.916 44.144 1.00 0.00 SOLV H ATOM 17799 OH2 TIP3 5257 9.969 6.093 52.082 1.00 0.00 SOLV O ATOM 17800 H1 TIP3 5257 10.142 6.420 52.993 1.00 0.00 SOLV H ATOM 17801 H2 TIP3 5257 10.418 5.227 52.084 1.00 0.00 SOLV H ATOM 17802 OH2 TIP3 5258 9.767 2.235 43.963 1.00 0.00 SOLV O ATOM 17803 H1 TIP3 5258 10.055 2.675 44.777 1.00 0.00 SOLV H ATOM 17804 H2 TIP3 5258 10.541 2.417 43.387 1.00 0.00 SOLV H ATOM 17805 OH2 TIP3 5259 7.337 16.371 41.330 1.00 0.00 SOLV O ATOM 17806 H1 TIP3 5259 7.287 17.234 40.866 1.00 0.00 SOLV H ATOM 17807 H2 TIP3 5259 6.979 16.616 42.215 1.00 0.00 SOLV H ATOM 17808 OH2 TIP3 5260 5.843 3.372 40.723 1.00 0.00 SOLV O ATOM 17809 H1 TIP3 5260 5.781 4.131 41.340 1.00 0.00 SOLV H ATOM 17810 H2 TIP3 5260 6.733 3.045 40.988 1.00 0.00 SOLV H ATOM 17811 OH2 TIP3 5261 15.951 3.894 53.231 1.00 0.00 SOLV O ATOM 17812 H1 TIP3 5261 14.997 4.109 53.145 1.00 0.00 SOLV H ATOM 17813 H2 TIP3 5261 16.124 3.601 52.323 1.00 0.00 SOLV H ATOM 17814 OH2 TIP3 5262 14.559 7.690 47.111 1.00 0.00 SOLV O ATOM 17815 H1 TIP3 5262 13.708 7.238 46.968 1.00 0.00 SOLV H ATOM 17816 H2 TIP3 5262 15.047 7.028 47.648 1.00 0.00 SOLV H ATOM 17817 OH2 TIP3 5263 4.266 13.197 39.675 1.00 0.00 SOLV O ATOM 17818 H1 TIP3 5263 5.048 13.609 40.094 1.00 0.00 SOLV H ATOM 17819 H2 TIP3 5263 4.720 12.673 38.981 1.00 0.00 SOLV H ATOM 17820 OH2 TIP3 5264 1.855 6.279 39.109 1.00 0.00 SOLV O ATOM 17821 H1 TIP3 5264 2.092 7.222 39.195 1.00 0.00 SOLV H ATOM 17822 H2 TIP3 5264 1.618 6.206 38.163 1.00 0.00 SOLV H ATOM 17823 OH2 TIP3 5265 15.791 17.160 48.824 1.00 0.00 SOLV O ATOM 17824 H1 TIP3 5265 15.657 17.841 48.128 1.00 0.00 SOLV H ATOM 17825 H2 TIP3 5265 16.769 17.200 48.922 1.00 0.00 SOLV H ATOM 17826 OH2 TIP3 5266 3.192 0.986 47.553 1.00 0.00 SOLV O ATOM 17827 H1 TIP3 5266 3.119 1.052 46.580 1.00 0.00 SOLV H ATOM 17828 H2 TIP3 5266 3.254 0.016 47.656 1.00 0.00 SOLV H ATOM 17829 OH2 TIP3 5267 2.109 15.085 43.581 1.00 0.00 SOLV O ATOM 17830 H1 TIP3 5267 1.375 15.276 44.184 1.00 0.00 SOLV H ATOM 17831 H2 TIP3 5267 1.941 15.709 42.838 1.00 0.00 SOLV H ATOM 17832 OH2 TIP3 5268 1.869 17.865 55.164 1.00 0.00 SOLV O ATOM 17833 H1 TIP3 5268 2.323 17.914 56.031 1.00 0.00 SOLV H ATOM 17834 H2 TIP3 5268 1.953 16.901 55.017 1.00 0.00 SOLV H ATOM 17835 OH2 TIP3 5269 5.785 16.382 56.652 1.00 0.00 SOLV O ATOM 17836 H1 TIP3 5269 6.617 15.966 56.922 1.00 0.00 SOLV H ATOM 17837 H2 TIP3 5269 5.633 15.938 55.791 1.00 0.00 SOLV H ATOM 17838 OH2 TIP3 5270 10.164 15.903 37.912 1.00 0.00 SOLV O ATOM 17839 H1 TIP3 5270 9.355 15.347 38.006 1.00 0.00 SOLV H ATOM 17840 H2 TIP3 5270 10.838 15.207 37.947 1.00 0.00 SOLV H ATOM 17841 OH2 TIP3 5271 12.467 14.801 55.517 1.00 0.00 SOLV O ATOM 17842 H1 TIP3 5271 12.152 13.976 55.959 1.00 0.00 SOLV H ATOM 17843 H2 TIP3 5271 13.222 15.053 56.086 1.00 0.00 SOLV H ATOM 17844 OH2 TIP3 5272 14.506 15.591 38.328 1.00 0.00 SOLV O ATOM 17845 H1 TIP3 5272 14.529 14.763 38.860 1.00 0.00 SOLV H ATOM 17846 H2 TIP3 5272 15.320 15.517 37.798 1.00 0.00 SOLV H ATOM 17847 OH2 TIP3 5273 1.410 11.516 55.838 1.00 0.00 SOLV O ATOM 17848 H1 TIP3 5273 1.491 10.554 55.653 1.00 0.00 SOLV H ATOM 17849 H2 TIP3 5273 0.469 11.657 55.653 1.00 0.00 SOLV H ATOM 17850 OH2 TIP3 5274 5.647 11.408 38.221 1.00 0.00 SOLV O ATOM 17851 H1 TIP3 5274 5.963 10.912 39.009 1.00 0.00 SOLV H ATOM 17852 H2 TIP3 5274 6.488 11.488 37.722 1.00 0.00 SOLV H ATOM 17853 OH2 TIP3 5275 7.845 11.593 55.565 1.00 0.00 SOLV O ATOM 17854 H1 TIP3 5275 7.765 12.027 54.695 1.00 0.00 SOLV H ATOM 17855 H2 TIP3 5275 8.104 10.676 55.321 1.00 0.00 SOLV H ATOM 17856 OH2 TIP3 5276 11.348 12.951 38.010 1.00 0.00 SOLV O ATOM 17857 H1 TIP3 5276 11.105 12.858 38.957 1.00 0.00 SOLV H ATOM 17858 H2 TIP3 5276 11.261 12.013 37.725 1.00 0.00 SOLV H ATOM 17859 OH2 TIP3 5277 13.583 11.622 53.045 1.00 0.00 SOLV O ATOM 17860 H1 TIP3 5277 14.522 11.872 52.941 1.00 0.00 SOLV H ATOM 17861 H2 TIP3 5277 13.143 12.468 52.853 1.00 0.00 SOLV H ATOM 17862 OH2 TIP3 5278 1.776 8.847 55.584 1.00 0.00 SOLV O ATOM 17863 H1 TIP3 5278 2.320 8.143 55.203 1.00 0.00 SOLV H ATOM 17864 H2 TIP3 5278 2.073 8.832 56.520 1.00 0.00 SOLV H ATOM 17865 OH2 TIP3 5279 6.725 9.966 40.400 1.00 0.00 SOLV O ATOM 17866 H1 TIP3 5279 6.225 9.508 41.098 1.00 0.00 SOLV H ATOM 17867 H2 TIP3 5279 7.147 9.221 39.921 1.00 0.00 SOLV H ATOM 17868 OH2 TIP3 5280 6.021 7.535 52.815 1.00 0.00 SOLV O ATOM 17869 H1 TIP3 5280 5.396 8.291 52.826 1.00 0.00 SOLV H ATOM 17870 H2 TIP3 5280 6.793 7.928 52.343 1.00 0.00 SOLV H ATOM 17871 OH2 TIP3 5281 7.987 8.090 38.763 1.00 0.00 SOLV O ATOM 17872 H1 TIP3 5281 8.032 8.386 37.830 1.00 0.00 SOLV H ATOM 17873 H2 TIP3 5281 8.936 7.898 38.930 1.00 0.00 SOLV H ATOM 17874 OH2 TIP3 5282 11.275 10.075 56.424 1.00 0.00 SOLV O ATOM 17875 H1 TIP3 5282 12.164 9.741 56.255 1.00 0.00 SOLV H ATOM 17876 H2 TIP3 5282 10.930 9.318 56.949 1.00 0.00 SOLV H ATOM 17877 OH2 TIP3 5283 16.980 10.207 38.328 1.00 0.00 SOLV O ATOM 17878 H1 TIP3 5283 17.011 9.986 37.377 1.00 0.00 SOLV H ATOM 17879 H2 TIP3 5283 16.824 11.176 38.264 1.00 0.00 SOLV H ATOM 17880 OH2 TIP3 5284 6.555 5.122 53.896 1.00 0.00 SOLV O ATOM 17881 H1 TIP3 5284 6.751 4.525 53.147 1.00 0.00 SOLV H ATOM 17882 H2 TIP3 5284 6.424 5.978 53.426 1.00 0.00 SOLV H ATOM 17883 OH2 TIP3 5285 6.976 3.494 51.623 1.00 0.00 SOLV O ATOM 17884 H1 TIP3 5285 7.535 3.997 50.997 1.00 0.00 SOLV H ATOM 17885 H2 TIP3 5285 6.117 3.483 51.150 1.00 0.00 SOLV H ATOM 17886 OH2 TIP3 5286 8.120 8.727 51.684 1.00 0.00 SOLV O ATOM 17887 H1 TIP3 5286 9.084 8.737 51.619 1.00 0.00 SOLV H ATOM 17888 H2 TIP3 5286 7.868 9.549 51.212 1.00 0.00 SOLV H ATOM 17889 OH2 TIP3 5287 14.179 9.414 54.595 1.00 0.00 SOLV O ATOM 17890 H1 TIP3 5287 13.841 10.206 54.123 1.00 0.00 SOLV H ATOM 17891 H2 TIP3 5287 15.148 9.550 54.507 1.00 0.00 SOLV H ATOM 17892 OH2 TIP3 5288 4.988 5.879 56.067 1.00 0.00 SOLV O ATOM 17893 H1 TIP3 5288 4.228 5.292 55.873 1.00 0.00 SOLV H ATOM 17894 H2 TIP3 5288 5.507 5.795 55.238 1.00 0.00 SOLV H ATOM 17895 OH2 TIP3 5289 7.672 0.916 52.330 1.00 0.00 SOLV O ATOM 17896 H1 TIP3 5289 7.429 1.861 52.193 1.00 0.00 SOLV H ATOM 17897 H2 TIP3 5289 7.008 0.470 51.794 1.00 0.00 SOLV H ATOM 17898 OH2 TIP3 5290 9.079 4.734 55.385 1.00 0.00 SOLV O ATOM 17899 H1 TIP3 5290 9.053 4.745 56.358 1.00 0.00 SOLV H ATOM 17900 H2 TIP3 5290 8.136 4.765 55.140 1.00 0.00 SOLV H ATOM 17901 OH2 TIP3 5291 11.628 4.158 54.545 1.00 0.00 SOLV O ATOM 17902 H1 TIP3 5291 10.729 4.268 54.917 1.00 0.00 SOLV H ATOM 17903 H2 TIP3 5291 12.105 3.723 55.275 1.00 0.00 SOLV H ATOM 17904 OH2 TIP3 5292 13.271 2.890 56.573 1.00 0.00 SOLV O ATOM 17905 H1 TIP3 5292 12.920 2.038 56.848 1.00 0.00 SOLV H ATOM 17906 H2 TIP3 5292 13.048 3.442 57.356 1.00 0.00 SOLV H ATOM 17907 OH2 TIP3 5293 2.931 4.080 55.765 1.00 0.00 SOLV O ATOM 17908 H1 TIP3 5293 2.874 3.307 55.168 1.00 0.00 SOLV H ATOM 17909 H2 TIP3 5293 3.030 3.643 56.633 1.00 0.00 SOLV H ATOM 17910 OH2 TIP3 5294 8.132 1.600 56.781 1.00 0.00 SOLV O ATOM 17911 H1 TIP3 5294 8.336 1.353 55.874 1.00 0.00 SOLV H ATOM 17912 H2 TIP3 5294 7.649 2.449 56.695 1.00 0.00 SOLV H ATOM 17913 OH2 TIP3 5295 7.863 18.799 39.997 1.00 0.00 SOLV O ATOM 17914 H1 TIP3 5295 8.781 18.479 39.920 1.00 0.00 SOLV H ATOM 17915 H2 TIP3 5295 7.871 19.520 39.342 1.00 0.00 SOLV H ATOM 17916 OH2 TIP3 5296 1.716 13.745 38.732 1.00 0.00 SOLV O ATOM 17917 H1 TIP3 5296 2.544 13.577 39.228 1.00 0.00 SOLV H ATOM 17918 H2 TIP3 5296 1.503 12.861 38.383 1.00 0.00 SOLV H ATOM 17919 OH2 TIP3 5297 1.138 16.668 46.111 1.00 0.00 SOLV O ATOM 17920 H1 TIP3 5297 1.076 15.800 46.577 1.00 0.00 SOLV H ATOM 17921 H2 TIP3 5297 1.690 17.153 46.752 1.00 0.00 SOLV H ATOM 17922 OH2 TIP3 5298 18.443 17.581 49.386 1.00 0.00 SOLV O ATOM 17923 H1 TIP3 5298 18.489 17.463 50.353 1.00 0.00 SOLV H ATOM 17924 H2 TIP3 5298 19.375 17.687 49.140 1.00 0.00 SOLV H ATOM 17925 OH2 TIP3 5299 18.015 16.986 52.119 1.00 0.00 SOLV O ATOM 17926 H1 TIP3 5299 17.407 16.301 51.758 1.00 0.00 SOLV H ATOM 17927 H2 TIP3 5299 18.438 16.449 52.819 1.00 0.00 SOLV H ATOM 17928 OH2 TIP3 5300 16.332 12.924 56.739 1.00 0.00 SOLV O ATOM 17929 H1 TIP3 5300 15.544 12.921 57.317 1.00 0.00 SOLV H ATOM 17930 H2 TIP3 5300 16.909 13.569 57.196 1.00 0.00 SOLV H ATOM 17931 OH2 TIP3 5301 17.794 11.085 42.211 1.00 0.00 SOLV O ATOM 17932 H1 TIP3 5301 18.593 11.645 42.244 1.00 0.00 SOLV H ATOM 17933 H2 TIP3 5301 17.945 10.486 42.979 1.00 0.00 SOLV H ATOM 17934 OH2 TIP3 5302 18.238 9.180 44.142 1.00 0.00 SOLV O ATOM 17935 H1 TIP3 5302 17.387 8.796 44.445 1.00 0.00 SOLV H ATOM 17936 H2 TIP3 5302 18.761 9.215 44.971 1.00 0.00 SOLV H ATOM 17937 OH2 TIP3 5303 18.146 12.063 49.203 1.00 0.00 SOLV O ATOM 17938 H1 TIP3 5303 18.694 11.326 48.852 1.00 0.00 SOLV H ATOM 17939 H2 TIP3 5303 18.406 12.804 48.631 1.00 0.00 SOLV H ATOM 17940 OH2 TIP3 5304 16.344 14.950 51.299 1.00 0.00 SOLV O ATOM 17941 H1 TIP3 5304 15.548 15.266 51.763 1.00 0.00 SOLV H ATOM 17942 H2 TIP3 5304 15.992 14.718 50.412 1.00 0.00 SOLV H ATOM 17943 OH2 TIP3 5305 18.447 9.123 40.391 1.00 0.00 SOLV O ATOM 17944 H1 TIP3 5305 17.912 9.392 39.612 1.00 0.00 SOLV H ATOM 17945 H2 TIP3 5305 18.142 9.789 41.042 1.00 0.00 SOLV H ATOM 17946 OH2 TIP3 5306 16.833 6.347 38.842 1.00 0.00 SOLV O ATOM 17947 H1 TIP3 5306 16.735 6.786 37.990 1.00 0.00 SOLV H ATOM 17948 H2 TIP3 5306 16.542 5.443 38.595 1.00 0.00 SOLV H ATOM 17949 OH2 TIP3 5307 15.826 7.950 44.679 1.00 0.00 SOLV O ATOM 17950 H1 TIP3 5307 15.802 7.023 44.386 1.00 0.00 SOLV H ATOM 17951 H2 TIP3 5307 15.420 7.896 45.574 1.00 0.00 SOLV H ATOM 17952 OH2 TIP3 5308 1.001 10.634 48.954 1.00 0.00 SOLV O ATOM 17953 H1 TIP3 5308 1.099 10.394 48.015 1.00 0.00 SOLV H ATOM 17954 H2 TIP3 5308 1.781 10.180 49.334 1.00 0.00 SOLV H ATOM 17955 OH2 TIP3 5309 16.912 9.807 54.298 1.00 0.00 SOLV O ATOM 17956 H1 TIP3 5309 17.485 9.009 54.243 1.00 0.00 SOLV H ATOM 17957 H2 TIP3 5309 17.518 10.511 54.025 1.00 0.00 SOLV H ATOM 17958 OH2 TIP3 5310 18.362 7.509 54.315 1.00 0.00 SOLV O ATOM 17959 H1 TIP3 5310 17.469 7.118 54.455 1.00 0.00 SOLV H ATOM 17960 H2 TIP3 5310 18.905 6.734 54.573 1.00 0.00 SOLV H ATOM 17961 OH2 TIP3 5311 16.014 3.933 37.866 1.00 0.00 SOLV O ATOM 17962 H1 TIP3 5311 16.635 3.497 38.492 1.00 0.00 SOLV H ATOM 17963 H2 TIP3 5311 15.280 3.304 37.822 1.00 0.00 SOLV H ATOM 17964 OH2 TIP3 5312 15.763 5.487 42.951 1.00 0.00 SOLV O ATOM 17965 H1 TIP3 5312 16.058 4.546 42.997 1.00 0.00 SOLV H ATOM 17966 H2 TIP3 5312 16.523 5.865 42.469 1.00 0.00 SOLV H ATOM 17967 OH2 TIP3 5313 16.088 5.792 48.403 1.00 0.00 SOLV O ATOM 17968 H1 TIP3 5313 17.057 5.920 48.279 1.00 0.00 SOLV H ATOM 17969 H2 TIP3 5313 16.034 5.937 49.371 1.00 0.00 SOLV H ATOM 17970 OH2 TIP3 5314 16.320 6.634 51.066 1.00 0.00 SOLV O ATOM 17971 H1 TIP3 5314 15.555 6.961 51.575 1.00 0.00 SOLV H ATOM 17972 H2 TIP3 5314 16.883 7.435 51.006 1.00 0.00 SOLV H ATOM 17973 OH2 TIP3 5315 0.893 5.871 55.287 1.00 0.00 SOLV O ATOM 17974 H1 TIP3 5315 1.692 5.298 55.305 1.00 0.00 SOLV H ATOM 17975 H2 TIP3 5315 0.216 5.165 55.173 1.00 0.00 SOLV H ATOM 17976 OH2 TIP3 5316 18.663 0.848 56.856 1.00 0.00 SOLV O ATOM 17977 H1 TIP3 5316 19.436 0.299 56.641 1.00 0.00 SOLV H ATOM 17978 H2 TIP3 5316 18.476 1.296 56.005 1.00 0.00 SOLV H ATOM 17979 OH2 TIP3 5317 16.432 2.843 43.047 1.00 0.00 SOLV O ATOM 17980 H1 TIP3 5317 16.585 2.349 43.878 1.00 0.00 SOLV H ATOM 17981 H2 TIP3 5317 15.634 2.377 42.701 1.00 0.00 SOLV H ATOM 17982 OH2 TIP3 5318 1.635 3.415 47.627 1.00 0.00 SOLV O ATOM 17983 H1 TIP3 5318 2.058 2.554 47.805 1.00 0.00 SOLV H ATOM 17984 H2 TIP3 5318 2.346 4.023 47.901 1.00 0.00 SOLV H ATOM 17985 OH2 TIP3 5319 0.496 7.745 48.573 1.00 0.00 SOLV O ATOM 17986 H1 TIP3 5319 0.971 7.524 47.753 1.00 0.00 SOLV H ATOM 17987 H2 TIP3 5319 1.185 8.265 49.025 1.00 0.00 SOLV H ATOM 17988 OH2 TIP3 5320 17.994 2.602 54.753 1.00 0.00 SOLV O ATOM 17989 H1 TIP3 5320 17.252 3.094 55.164 1.00 0.00 SOLV H ATOM 17990 H2 TIP3 5320 17.706 2.617 53.826 1.00 0.00 SOLV H ATOM 17991 OH2 TIP3 5321 17.928 3.012 39.590 1.00 0.00 SOLV O ATOM 17992 H1 TIP3 5321 18.266 2.221 39.105 1.00 0.00 SOLV H ATOM 17993 H2 TIP3 5321 18.748 3.367 39.984 1.00 0.00 SOLV H ATOM 17994 OH2 TIP3 5322 1.189 1.951 42.860 1.00 0.00 SOLV O ATOM 17995 H1 TIP3 5322 0.226 2.085 42.822 1.00 0.00 SOLV H ATOM 17996 H2 TIP3 5322 1.481 2.792 42.453 1.00 0.00 SOLV H ATOM 17997 OH2 TIP3 5323 15.197 17.745 44.729 1.00 0.00 SOLV O ATOM 17998 H1 TIP3 5323 15.941 17.702 44.092 1.00 0.00 SOLV H ATOM 17999 H2 TIP3 5323 15.637 18.067 45.533 1.00 0.00 SOLV H ATOM 18000 OH2 TIP3 5324 0.729 2.226 51.085 1.00 0.00 SOLV O ATOM 18001 H1 TIP3 5324 0.632 1.423 51.623 1.00 0.00 SOLV H ATOM 18002 H2 TIP3 5324 0.210 1.986 50.307 1.00 0.00 SOLV H ATOM 18003 OH2 TIP3 5325 2.345 15.019 55.262 1.00 0.00 SOLV O ATOM 18004 H1 TIP3 5325 2.189 14.249 54.691 1.00 0.00 SOLV H ATOM 18005 H2 TIP3 5325 2.048 14.682 56.134 1.00 0.00 SOLV H ATOM 18006 OH2 TIP3 5326 5.640 15.783 51.463 1.00 0.00 SOLV O ATOM 18007 H1 TIP3 5326 5.422 16.700 51.190 1.00 0.00 SOLV H ATOM 18008 H2 TIP3 5326 6.602 15.808 51.269 1.00 0.00 SOLV H ATOM 18009 OH2 TIP3 5327 9.694 16.986 54.337 1.00 0.00 SOLV O ATOM 18010 H1 TIP3 5327 9.853 16.654 55.250 1.00 0.00 SOLV H ATOM 18011 H2 TIP3 5327 10.542 17.444 54.161 1.00 0.00 SOLV H ATOM 18012 OH2 TIP3 5328 12.028 18.390 53.854 1.00 0.00 SOLV O ATOM 18013 H1 TIP3 5328 12.699 17.774 53.522 1.00 0.00 SOLV H ATOM 18014 H2 TIP3 5328 12.453 18.692 54.687 1.00 0.00 SOLV H ATOM 18015 OH2 TIP3 5329 16.673 0.703 52.262 1.00 0.00 SOLV O ATOM 18016 H1 TIP3 5329 16.267 1.462 51.788 1.00 0.00 SOLV H ATOM 18017 H2 TIP3 5329 16.689 0.035 51.564 1.00 0.00 SOLV H ATOM 18018 OH2 TIP3 5330 2.875 18.742 51.615 1.00 0.00 SOLV O ATOM 18019 H1 TIP3 5330 2.069 19.178 51.259 1.00 0.00 SOLV H ATOM 18020 H2 TIP3 5330 2.799 18.973 52.550 1.00 0.00 SOLV H ATOM 18021 OH2 TIP3 5331 5.436 18.407 50.736 1.00 0.00 SOLV O ATOM 18022 H1 TIP3 5331 4.493 18.560 50.982 1.00 0.00 SOLV H ATOM 18023 H2 TIP3 5331 5.483 18.852 49.869 1.00 0.00 SOLV H ATOM 18024 OH2 TIP3 5332 9.997 18.177 49.863 1.00 0.00 SOLV O ATOM 18025 H1 TIP3 5332 9.466 18.573 49.151 1.00 0.00 SOLV H ATOM 18026 H2 TIP3 5332 10.092 18.921 50.491 1.00 0.00 SOLV H ATOM 18027 OH2 TIP3 5333 12.344 16.992 50.851 1.00 0.00 SOLV O ATOM 18028 H1 TIP3 5333 11.530 17.370 50.466 1.00 0.00 SOLV H ATOM 18029 H2 TIP3 5333 12.997 17.685 50.676 1.00 0.00 SOLV H ATOM 18030 OH2 TIP3 5334 14.811 18.592 50.940 1.00 0.00 SOLV O ATOM 18031 H1 TIP3 5334 14.930 19.509 50.624 1.00 0.00 SOLV H ATOM 18032 H2 TIP3 5334 15.182 18.073 50.189 1.00 0.00 SOLV H ATOM 18033 OH2 TIP3 5335 2.480 17.493 48.384 1.00 0.00 SOLV O ATOM 18034 H1 TIP3 5335 2.100 16.950 49.102 1.00 0.00 SOLV H ATOM 18035 H2 TIP3 5335 3.228 16.925 48.104 1.00 0.00 SOLV H ATOM 18036 OH2 TIP3 5336 4.509 16.071 47.257 1.00 0.00 SOLV O ATOM 18037 H1 TIP3 5336 4.332 15.149 47.572 1.00 0.00 SOLV H ATOM 18038 H2 TIP3 5336 5.432 16.190 47.552 1.00 0.00 SOLV H ATOM 18039 OH2 TIP3 5337 7.173 16.406 48.213 1.00 0.00 SOLV O ATOM 18040 H1 TIP3 5337 7.281 15.460 47.975 1.00 0.00 SOLV H ATOM 18041 H2 TIP3 5337 7.482 16.358 49.141 1.00 0.00 SOLV H ATOM 18042 OH2 TIP3 5338 10.276 2.536 47.012 1.00 0.00 SOLV O ATOM 18043 H1 TIP3 5338 9.528 1.940 47.232 1.00 0.00 SOLV H ATOM 18044 H2 TIP3 5338 10.927 1.903 46.634 1.00 0.00 SOLV H ATOM 18045 OH2 TIP3 5339 16.125 1.033 47.521 1.00 0.00 SOLV O ATOM 18046 H1 TIP3 5339 16.735 1.476 46.902 1.00 0.00 SOLV H ATOM 18047 H2 TIP3 5339 15.410 0.826 46.900 1.00 0.00 SOLV H ATOM 18048 OH2 TIP3 5340 17.521 1.533 45.218 1.00 0.00 SOLV O ATOM 18049 H1 TIP3 5340 18.203 1.045 44.740 1.00 0.00 SOLV H ATOM 18050 H2 TIP3 5340 17.996 2.389 45.363 1.00 0.00 SOLV H ATOM 18051 OH2 TIP3 5341 2.984 0.799 44.770 1.00 0.00 SOLV O ATOM 18052 H1 TIP3 5341 2.350 1.026 44.057 1.00 0.00 SOLV H ATOM 18053 H2 TIP3 5341 3.227 -0.112 44.555 1.00 0.00 SOLV H ATOM 18054 OH2 TIP3 5342 2.024 0.590 40.539 1.00 0.00 SOLV O ATOM 18055 H1 TIP3 5342 2.333 1.365 40.031 1.00 0.00 SOLV H ATOM 18056 H2 TIP3 5342 1.650 1.009 41.337 1.00 0.00 SOLV H ATOM 18057 OH2 TIP3 5343 7.270 1.495 44.726 1.00 0.00 SOLV O ATOM 18058 H1 TIP3 5343 8.100 1.849 44.333 1.00 0.00 SOLV H ATOM 18059 H2 TIP3 5343 7.542 1.405 45.661 1.00 0.00 SOLV H ATOM 18060 OH2 TIP3 5344 12.211 1.043 45.798 1.00 0.00 SOLV O ATOM 18061 H1 TIP3 5344 12.734 1.505 45.133 1.00 0.00 SOLV H ATOM 18062 H2 TIP3 5344 12.874 0.421 46.180 1.00 0.00 SOLV H ATOM 18063 OH2 TIP3 5345 14.262 1.477 42.216 1.00 0.00 SOLV O ATOM 18064 H1 TIP3 5345 13.302 1.620 42.275 1.00 0.00 SOLV H ATOM 18065 H2 TIP3 5345 14.327 0.509 42.058 1.00 0.00 SOLV H ATOM 18066 OH2 TIP3 5346 1.726 16.813 41.481 1.00 0.00 SOLV O ATOM 18067 H1 TIP3 5346 1.033 16.409 40.952 1.00 0.00 SOLV H ATOM 18068 H2 TIP3 5346 1.763 17.723 41.109 1.00 0.00 SOLV H ATOM 18069 OH2 TIP3 5347 3.563 2.645 39.275 1.00 0.00 SOLV O ATOM 18070 H1 TIP3 5347 4.006 2.081 38.606 1.00 0.00 SOLV H ATOM 18071 H2 TIP3 5347 4.334 2.884 39.841 1.00 0.00 SOLV H ATOM 18072 OH2 TIP3 5348 8.417 2.980 41.575 1.00 0.00 SOLV O ATOM 18073 H1 TIP3 5348 8.704 2.157 42.009 1.00 0.00 SOLV H ATOM 18074 H2 TIP3 5348 8.740 3.648 42.218 1.00 0.00 SOLV H ATOM 18075 OH2 TIP3 5349 10.424 17.810 39.891 1.00 0.00 SOLV O ATOM 18076 H1 TIP3 5349 11.394 17.929 39.816 1.00 0.00 SOLV H ATOM 18077 H2 TIP3 5349 10.274 17.230 39.110 1.00 0.00 SOLV H ATOM 18078 OH2 TIP3 5350 17.233 17.541 42.849 1.00 0.00 SOLV O ATOM 18079 H1 TIP3 5350 17.044 16.625 42.532 1.00 0.00 SOLV H ATOM 18080 H2 TIP3 5350 17.031 18.051 42.040 1.00 0.00 SOLV H ATOM 18081 OH2 TIP3 5351 2.918 1.828 54.138 1.00 0.00 SOLV O ATOM 18082 H1 TIP3 5351 2.524 1.067 53.684 1.00 0.00 SOLV H ATOM 18083 H2 TIP3 5351 3.560 1.399 54.740 1.00 0.00 SOLV H ATOM 18084 OH2 TIP3 5352 4.891 1.276 56.183 1.00 0.00 SOLV O ATOM 18085 H1 TIP3 5352 5.690 1.800 56.018 1.00 0.00 SOLV H ATOM 18086 H2 TIP3 5352 5.269 0.457 56.575 1.00 0.00 SOLV H ATOM 18087 OH2 TIP3 5353 3.463 17.646 38.454 1.00 0.00 SOLV O ATOM 18088 H1 TIP3 5353 3.193 17.506 39.372 1.00 0.00 SOLV H ATOM 18089 H2 TIP3 5353 4.219 17.020 38.361 1.00 0.00 SOLV H ATOM 18090 OH2 TIP3 5354 16.264 16.211 54.821 1.00 0.00 SOLV O ATOM 18091 H1 TIP3 5354 15.582 16.172 54.118 1.00 0.00 SOLV H ATOM 18092 H2 TIP3 5354 16.117 17.108 55.171 1.00 0.00 SOLV H ATOM 18093 OH2 TIP3 5355 30.950 10.128 44.656 1.00 0.00 SOLV O ATOM 18094 H1 TIP3 5355 30.779 11.089 44.564 1.00 0.00 SOLV H ATOM 18095 H2 TIP3 5355 30.230 9.777 44.105 1.00 0.00 SOLV H ATOM 18096 OH2 TIP3 5356 29.762 9.336 48.486 1.00 0.00 SOLV O ATOM 18097 H1 TIP3 5356 29.953 8.920 49.352 1.00 0.00 SOLV H ATOM 18098 H2 TIP3 5356 29.321 8.599 48.025 1.00 0.00 SOLV H ATOM 18099 OH2 TIP3 5357 21.888 8.899 49.881 1.00 0.00 SOLV O ATOM 18100 H1 TIP3 5357 21.883 8.049 50.363 1.00 0.00 SOLV H ATOM 18101 H2 TIP3 5357 22.754 9.240 50.141 1.00 0.00 SOLV H ATOM 18102 OH2 TIP3 5358 33.478 12.441 46.721 1.00 0.00 SOLV O ATOM 18103 H1 TIP3 5358 33.039 11.687 47.144 1.00 0.00 SOLV H ATOM 18104 H2 TIP3 5358 33.736 12.986 47.485 1.00 0.00 SOLV H ATOM 18105 OH2 TIP3 5359 23.075 13.531 48.070 1.00 0.00 SOLV O ATOM 18106 H1 TIP3 5359 22.882 12.602 47.809 1.00 0.00 SOLV H ATOM 18107 H2 TIP3 5359 23.985 13.425 48.397 1.00 0.00 SOLV H ATOM 18108 OH2 TIP3 5360 19.798 6.781 43.407 1.00 0.00 SOLV O ATOM 18109 H1 TIP3 5360 19.396 7.593 43.757 1.00 0.00 SOLV H ATOM 18110 H2 TIP3 5360 19.163 6.559 42.702 1.00 0.00 SOLV H ATOM 18111 OH2 TIP3 5361 20.186 9.064 46.096 1.00 0.00 SOLV O ATOM 18112 H1 TIP3 5361 20.478 8.152 46.328 1.00 0.00 SOLV H ATOM 18113 H2 TIP3 5361 21.025 9.478 45.856 1.00 0.00 SOLV H ATOM 18114 OH2 TIP3 5362 30.675 17.420 47.067 1.00 0.00 SOLV O ATOM 18115 H1 TIP3 5362 31.143 16.791 46.476 1.00 0.00 SOLV H ATOM 18116 H2 TIP3 5362 30.422 16.837 47.796 1.00 0.00 SOLV H ATOM 18117 OH2 TIP3 5363 28.084 11.877 48.828 1.00 0.00 SOLV O ATOM 18118 H1 TIP3 5363 28.475 11.076 48.433 1.00 0.00 SOLV H ATOM 18119 H2 TIP3 5363 28.848 12.143 49.386 1.00 0.00 SOLV H ATOM 18120 OH2 TIP3 5364 36.899 3.421 49.551 1.00 0.00 SOLV O ATOM 18121 H1 TIP3 5364 37.106 4.131 50.193 1.00 0.00 SOLV H ATOM 18122 H2 TIP3 5364 37.317 3.765 48.745 1.00 0.00 SOLV H ATOM 18123 OH2 TIP3 5365 31.357 6.160 48.851 1.00 0.00 SOLV O ATOM 18124 H1 TIP3 5365 31.545 5.213 48.970 1.00 0.00 SOLV H ATOM 18125 H2 TIP3 5365 31.161 6.191 47.893 1.00 0.00 SOLV H ATOM 18126 OH2 TIP3 5366 24.722 4.312 46.258 1.00 0.00 SOLV O ATOM 18127 H1 TIP3 5366 24.758 5.131 45.726 1.00 0.00 SOLV H ATOM 18128 H2 TIP3 5366 24.299 3.707 45.615 1.00 0.00 SOLV H ATOM 18129 OH2 TIP3 5367 32.487 4.486 44.504 1.00 0.00 SOLV O ATOM 18130 H1 TIP3 5367 32.975 4.165 45.299 1.00 0.00 SOLV H ATOM 18131 H2 TIP3 5367 33.221 4.873 43.992 1.00 0.00 SOLV H ATOM 18132 OH2 TIP3 5368 21.133 6.627 46.882 1.00 0.00 SOLV O ATOM 18133 H1 TIP3 5368 21.766 6.194 47.488 1.00 0.00 SOLV H ATOM 18134 H2 TIP3 5368 21.421 6.229 46.031 1.00 0.00 SOLV H ATOM 18135 OH2 TIP3 5369 26.028 8.107 46.506 1.00 0.00 SOLV O ATOM 18136 H1 TIP3 5369 26.874 7.695 46.788 1.00 0.00 SOLV H ATOM 18137 H2 TIP3 5369 25.667 7.426 45.898 1.00 0.00 SOLV H ATOM 18138 OH2 TIP3 5370 37.371 5.057 51.736 1.00 0.00 SOLV O ATOM 18139 H1 TIP3 5370 36.582 5.604 51.534 1.00 0.00 SOLV H ATOM 18140 H2 TIP3 5370 37.279 4.963 52.695 1.00 0.00 SOLV H ATOM 18141 OH2 TIP3 5371 23.349 3.369 50.572 1.00 0.00 SOLV O ATOM 18142 H1 TIP3 5371 23.062 3.676 49.699 1.00 0.00 SOLV H ATOM 18143 H2 TIP3 5371 22.560 3.555 51.119 1.00 0.00 SOLV H ATOM 18144 OH2 TIP3 5372 30.368 12.633 43.665 1.00 0.00 SOLV O ATOM 18145 H1 TIP3 5372 30.323 12.838 42.721 1.00 0.00 SOLV H ATOM 18146 H2 TIP3 5372 29.983 13.450 44.048 1.00 0.00 SOLV H ATOM 18147 OH2 TIP3 5373 26.006 10.935 50.315 1.00 0.00 SOLV O ATOM 18148 H1 TIP3 5373 25.482 11.668 50.703 1.00 0.00 SOLV H ATOM 18149 H2 TIP3 5373 26.714 11.420 49.839 1.00 0.00 SOLV H ATOM 18150 OH2 TIP3 5374 33.779 3.895 46.797 1.00 0.00 SOLV O ATOM 18151 H1 TIP3 5374 33.232 3.562 47.529 1.00 0.00 SOLV H ATOM 18152 H2 TIP3 5374 34.345 4.538 47.275 1.00 0.00 SOLV H ATOM 18153 OH2 TIP3 5375 22.925 4.927 48.231 1.00 0.00 SOLV O ATOM 18154 H1 TIP3 5375 23.510 5.430 48.840 1.00 0.00 SOLV H ATOM 18155 H2 TIP3 5375 23.596 4.625 47.575 1.00 0.00 SOLV H ATOM 18156 OH2 TIP3 5376 24.391 12.989 51.388 1.00 0.00 SOLV O ATOM 18157 H1 TIP3 5376 24.340 13.961 51.282 1.00 0.00 SOLV H ATOM 18158 H2 TIP3 5376 23.475 12.809 51.686 1.00 0.00 SOLV H ATOM 18159 OH2 TIP3 5377 20.187 12.657 42.023 1.00 0.00 SOLV O ATOM 18160 H1 TIP3 5377 20.092 13.174 41.205 1.00 0.00 SOLV H ATOM 18161 H2 TIP3 5377 20.558 13.322 42.637 1.00 0.00 SOLV H ATOM 18162 OH2 TIP3 5378 33.938 14.375 48.894 1.00 0.00 SOLV O ATOM 18163 H1 TIP3 5378 32.963 14.384 49.026 1.00 0.00 SOLV H ATOM 18164 H2 TIP3 5378 34.108 15.313 48.672 1.00 0.00 SOLV H ATOM 18165 OH2 TIP3 5379 34.465 2.656 50.721 1.00 0.00 SOLV O ATOM 18166 H1 TIP3 5379 33.672 2.737 50.171 1.00 0.00 SOLV H ATOM 18167 H2 TIP3 5379 35.182 2.838 50.075 1.00 0.00 SOLV H ATOM 18168 OH2 TIP3 5380 32.000 15.956 45.137 1.00 0.00 SOLV O ATOM 18169 H1 TIP3 5380 32.432 15.099 44.899 1.00 0.00 SOLV H ATOM 18170 H2 TIP3 5380 32.788 16.544 45.078 1.00 0.00 SOLV H ATOM 18171 OH2 TIP3 5381 33.305 13.747 44.297 1.00 0.00 SOLV O ATOM 18172 H1 TIP3 5381 33.069 13.051 43.670 1.00 0.00 SOLV H ATOM 18173 H2 TIP3 5381 33.452 13.226 45.120 1.00 0.00 SOLV H ATOM 18174 OH2 TIP3 5382 35.059 12.326 52.459 1.00 0.00 SOLV O ATOM 18175 H1 TIP3 5382 34.968 11.728 51.686 1.00 0.00 SOLV H ATOM 18176 H2 TIP3 5382 35.145 13.201 52.025 1.00 0.00 SOLV H ATOM 18177 OH2 TIP3 5383 29.496 9.298 42.431 1.00 0.00 SOLV O ATOM 18178 H1 TIP3 5383 28.884 10.013 42.167 1.00 0.00 SOLV H ATOM 18179 H2 TIP3 5383 30.173 9.340 41.731 1.00 0.00 SOLV H ATOM 18180 OH2 TIP3 5384 29.624 8.018 39.030 1.00 0.00 SOLV O ATOM 18181 H1 TIP3 5384 30.197 8.251 39.783 1.00 0.00 SOLV H ATOM 18182 H2 TIP3 5384 30.217 7.402 38.548 1.00 0.00 SOLV H ATOM 18183 OH2 TIP3 5385 36.841 8.858 50.696 1.00 0.00 SOLV O ATOM 18184 H1 TIP3 5385 36.086 9.481 50.614 1.00 0.00 SOLV H ATOM 18185 H2 TIP3 5385 37.404 9.174 49.956 1.00 0.00 SOLV H ATOM 18186 OH2 TIP3 5386 33.075 9.529 43.071 1.00 0.00 SOLV O ATOM 18187 H1 TIP3 5386 32.373 9.707 43.742 1.00 0.00 SOLV H ATOM 18188 H2 TIP3 5386 33.724 9.046 43.627 1.00 0.00 SOLV H ATOM 18189 OH2 TIP3 5387 32.754 7.599 52.464 1.00 0.00 SOLV O ATOM 18190 H1 TIP3 5387 32.700 8.291 53.153 1.00 0.00 SOLV H ATOM 18191 H2 TIP3 5387 32.063 7.902 51.841 1.00 0.00 SOLV H ATOM 18192 OH2 TIP3 5388 24.595 10.112 45.257 1.00 0.00 SOLV O ATOM 18193 H1 TIP3 5388 24.320 9.731 44.396 1.00 0.00 SOLV H ATOM 18194 H2 TIP3 5388 25.129 9.381 45.640 1.00 0.00 SOLV H ATOM 18195 OH2 TIP3 5389 26.054 13.665 47.889 1.00 0.00 SOLV O ATOM 18196 H1 TIP3 5389 26.056 13.492 46.936 1.00 0.00 SOLV H ATOM 18197 H2 TIP3 5389 26.769 13.070 48.204 1.00 0.00 SOLV H ATOM 18198 OH2 TIP3 5390 24.740 8.972 48.821 1.00 0.00 SOLV O ATOM 18199 H1 TIP3 5390 25.288 8.732 48.042 1.00 0.00 SOLV H ATOM 18200 H2 TIP3 5390 25.301 9.631 49.283 1.00 0.00 SOLV H ATOM 18201 OH2 TIP3 5391 31.296 14.500 49.479 1.00 0.00 SOLV O ATOM 18202 H1 TIP3 5391 31.180 15.145 50.200 1.00 0.00 SOLV H ATOM 18203 H2 TIP3 5391 30.899 13.687 49.853 1.00 0.00 SOLV H ATOM 18204 OH2 TIP3 5392 26.083 13.382 53.538 1.00 0.00 SOLV O ATOM 18205 H1 TIP3 5392 25.440 13.958 54.004 1.00 0.00 SOLV H ATOM 18206 H2 TIP3 5392 25.533 13.078 52.788 1.00 0.00 SOLV H ATOM 18207 OH2 TIP3 5393 31.716 8.812 40.786 1.00 0.00 SOLV O ATOM 18208 H1 TIP3 5393 32.266 9.166 41.521 1.00 0.00 SOLV H ATOM 18209 H2 TIP3 5393 32.253 9.101 40.006 1.00 0.00 SOLV H ATOM 18210 OH2 TIP3 5394 22.854 9.361 52.935 1.00 0.00 SOLV O ATOM 18211 H1 TIP3 5394 22.912 10.126 53.541 1.00 0.00 SOLV H ATOM 18212 H2 TIP3 5394 21.881 9.281 52.849 1.00 0.00 SOLV H ATOM 18213 OH2 TIP3 5395 29.571 15.164 44.293 1.00 0.00 SOLV O ATOM 18214 H1 TIP3 5395 30.437 15.427 44.679 1.00 0.00 SOLV H ATOM 18215 H2 TIP3 5395 29.051 15.965 44.352 1.00 0.00 SOLV H ATOM 18216 OH2 TIP3 5396 24.022 15.131 54.272 1.00 0.00 SOLV O ATOM 18217 H1 TIP3 5396 23.903 15.410 53.348 1.00 0.00 SOLV H ATOM 18218 H2 TIP3 5396 23.095 14.994 54.574 1.00 0.00 SOLV H ATOM 18219 OH2 TIP3 5397 35.435 0.721 40.516 1.00 0.00 SOLV O ATOM 18220 H1 TIP3 5397 34.611 1.064 40.906 1.00 0.00 SOLV H ATOM 18221 H2 TIP3 5397 35.888 1.545 40.253 1.00 0.00 SOLV H ATOM 18222 OH2 TIP3 5398 23.687 9.279 42.679 1.00 0.00 SOLV O ATOM 18223 H1 TIP3 5398 23.099 9.837 42.132 1.00 0.00 SOLV H ATOM 18224 H2 TIP3 5398 23.300 8.402 42.572 1.00 0.00 SOLV H ATOM 18225 OH2 TIP3 5399 36.724 14.796 39.204 1.00 0.00 SOLV O ATOM 18226 H1 TIP3 5399 37.003 15.735 39.233 1.00 0.00 SOLV H ATOM 18227 H2 TIP3 5399 37.595 14.339 39.209 1.00 0.00 SOLV H ATOM 18228 OH2 TIP3 5400 19.576 11.649 51.693 1.00 0.00 SOLV O ATOM 18229 H1 TIP3 5400 19.073 11.640 50.857 1.00 0.00 SOLV H ATOM 18230 H2 TIP3 5400 19.784 10.700 51.835 1.00 0.00 SOLV H ATOM 18231 OH2 TIP3 5401 19.557 14.525 48.200 1.00 0.00 SOLV O ATOM 18232 H1 TIP3 5401 20.447 14.159 48.298 1.00 0.00 SOLV H ATOM 18233 H2 TIP3 5401 19.445 14.982 49.047 1.00 0.00 SOLV H ATOM 18234 OH2 TIP3 5402 37.665 15.189 54.383 1.00 0.00 SOLV O ATOM 18235 H1 TIP3 5402 37.486 14.231 54.309 1.00 0.00 SOLV H ATOM 18236 H2 TIP3 5402 36.775 15.505 54.665 1.00 0.00 SOLV H ATOM 18237 OH2 TIP3 5403 28.441 14.590 52.890 1.00 0.00 SOLV O ATOM 18238 H1 TIP3 5403 28.430 15.403 53.441 1.00 0.00 SOLV H ATOM 18239 H2 TIP3 5403 27.592 14.173 53.163 1.00 0.00 SOLV H ATOM 18240 OH2 TIP3 5404 29.050 18.839 42.645 1.00 0.00 SOLV O ATOM 18241 H1 TIP3 5404 28.929 18.333 41.826 1.00 0.00 SOLV H ATOM 18242 H2 TIP3 5404 29.996 19.042 42.593 1.00 0.00 SOLV H ATOM 18243 OH2 TIP3 5405 22.660 17.041 44.801 1.00 0.00 SOLV O ATOM 18244 H1 TIP3 5405 22.817 16.709 45.713 1.00 0.00 SOLV H ATOM 18245 H2 TIP3 5405 22.174 16.291 44.405 1.00 0.00 SOLV H ATOM 18246 OH2 TIP3 5406 31.908 17.506 39.666 1.00 0.00 SOLV O ATOM 18247 H1 TIP3 5406 32.545 16.813 39.383 1.00 0.00 SOLV H ATOM 18248 H2 TIP3 5406 32.000 17.462 40.647 1.00 0.00 SOLV H ATOM 18249 OH2 TIP3 5407 31.576 17.202 42.403 1.00 0.00 SOLV O ATOM 18250 H1 TIP3 5407 30.851 16.945 42.982 1.00 0.00 SOLV H ATOM 18251 H2 TIP3 5407 32.342 16.924 42.930 1.00 0.00 SOLV H ATOM 18252 OH2 TIP3 5408 34.677 6.436 54.595 1.00 0.00 SOLV O ATOM 18253 H1 TIP3 5408 33.944 6.738 54.037 1.00 0.00 SOLV H ATOM 18254 H2 TIP3 5408 34.760 5.503 54.319 1.00 0.00 SOLV H ATOM 18255 OH2 TIP3 5409 21.826 13.074 52.392 1.00 0.00 SOLV O ATOM 18256 H1 TIP3 5409 22.055 12.679 53.259 1.00 0.00 SOLV H ATOM 18257 H2 TIP3 5409 21.009 12.577 52.170 1.00 0.00 SOLV H ATOM 18258 OH2 TIP3 5410 29.222 1.719 52.190 1.00 0.00 SOLV O ATOM 18259 H1 TIP3 5410 29.501 0.796 52.268 1.00 0.00 SOLV H ATOM 18260 H2 TIP3 5410 28.256 1.621 52.280 1.00 0.00 SOLV H ATOM 18261 OH2 TIP3 5411 32.364 4.916 52.909 1.00 0.00 SOLV O ATOM 18262 H1 TIP3 5411 31.645 4.831 53.579 1.00 0.00 SOLV H ATOM 18263 H2 TIP3 5411 32.355 5.872 52.699 1.00 0.00 SOLV H ATOM 18264 OH2 TIP3 5412 33.216 9.479 38.647 1.00 0.00 SOLV O ATOM 18265 H1 TIP3 5412 33.102 9.534 37.680 1.00 0.00 SOLV H ATOM 18266 H2 TIP3 5412 34.169 9.690 38.727 1.00 0.00 SOLV H ATOM 18267 OH2 TIP3 5413 28.842 3.538 39.445 1.00 0.00 SOLV O ATOM 18268 H1 TIP3 5413 28.260 3.285 40.192 1.00 0.00 SOLV H ATOM 18269 H2 TIP3 5413 28.503 2.938 38.747 1.00 0.00 SOLV H ATOM 18270 OH2 TIP3 5414 24.585 6.431 49.873 1.00 0.00 SOLV O ATOM 18271 H1 TIP3 5414 23.898 6.506 50.567 1.00 0.00 SOLV H ATOM 18272 H2 TIP3 5414 24.623 7.352 49.540 1.00 0.00 SOLV H ATOM 18273 OH2 TIP3 5415 24.621 6.545 44.704 1.00 0.00 SOLV O ATOM 18274 H1 TIP3 5415 23.659 6.361 44.635 1.00 0.00 SOLV H ATOM 18275 H2 TIP3 5415 24.910 6.268 43.803 1.00 0.00 SOLV H ATOM 18276 OH2 TIP3 5416 30.137 6.825 43.553 1.00 0.00 SOLV O ATOM 18277 H1 TIP3 5416 29.900 7.698 43.176 1.00 0.00 SOLV H ATOM 18278 H2 TIP3 5416 30.817 6.514 42.921 1.00 0.00 SOLV H ATOM 18279 OH2 TIP3 5417 29.264 7.061 54.745 1.00 0.00 SOLV O ATOM 18280 H1 TIP3 5417 28.776 6.296 55.121 1.00 0.00 SOLV H ATOM 18281 H2 TIP3 5417 30.075 7.030 55.290 1.00 0.00 SOLV H ATOM 18282 OH2 TIP3 5418 31.085 6.299 46.133 1.00 0.00 SOLV O ATOM 18283 H1 TIP3 5418 30.628 6.789 45.419 1.00 0.00 SOLV H ATOM 18284 H2 TIP3 5418 31.465 5.577 45.592 1.00 0.00 SOLV H ATOM 18285 OH2 TIP3 5419 22.306 6.595 51.444 1.00 0.00 SOLV O ATOM 18286 H1 TIP3 5419 22.555 6.961 52.305 1.00 0.00 SOLV H ATOM 18287 H2 TIP3 5419 21.891 5.742 51.706 1.00 0.00 SOLV H ATOM 18288 OH2 TIP3 5420 25.574 3.815 38.124 1.00 0.00 SOLV O ATOM 18289 H1 TIP3 5420 25.254 3.706 39.045 1.00 0.00 SOLV H ATOM 18290 H2 TIP3 5420 25.055 4.600 37.854 1.00 0.00 SOLV H ATOM 18291 OH2 TIP3 5421 19.106 3.660 45.406 1.00 0.00 SOLV O ATOM 18292 H1 TIP3 5421 19.632 3.702 46.233 1.00 0.00 SOLV H ATOM 18293 H2 TIP3 5421 19.794 3.635 44.731 1.00 0.00 SOLV H ATOM 18294 OH2 TIP3 5422 19.941 4.412 40.957 1.00 0.00 SOLV O ATOM 18295 H1 TIP3 5422 20.628 4.774 40.358 1.00 0.00 SOLV H ATOM 18296 H2 TIP3 5422 19.380 5.202 41.052 1.00 0.00 SOLV H ATOM 18297 OH2 TIP3 5423 30.389 7.863 50.703 1.00 0.00 SOLV O ATOM 18298 H1 TIP3 5423 30.769 7.233 50.045 1.00 0.00 SOLV H ATOM 18299 H2 TIP3 5423 29.772 7.264 51.177 1.00 0.00 SOLV H ATOM 18300 OH2 TIP3 5424 27.538 4.216 45.773 1.00 0.00 SOLV O ATOM 18301 H1 TIP3 5424 26.618 4.149 46.099 1.00 0.00 SOLV H ATOM 18302 H2 TIP3 5424 28.030 3.711 46.452 1.00 0.00 SOLV H ATOM 18303 OH2 TIP3 5425 22.056 5.619 44.487 1.00 0.00 SOLV O ATOM 18304 H1 TIP3 5425 21.270 5.888 43.956 1.00 0.00 SOLV H ATOM 18305 H2 TIP3 5425 22.321 4.765 44.091 1.00 0.00 SOLV H ATOM 18306 OH2 TIP3 5426 25.302 5.690 42.227 1.00 0.00 SOLV O ATOM 18307 H1 TIP3 5426 26.273 5.595 42.279 1.00 0.00 SOLV H ATOM 18308 H2 TIP3 5426 25.159 6.087 41.338 1.00 0.00 SOLV H ATOM 18309 OH2 TIP3 5427 31.649 3.343 48.761 1.00 0.00 SOLV O ATOM 18310 H1 TIP3 5427 31.231 3.444 49.648 1.00 0.00 SOLV H ATOM 18311 H2 TIP3 5427 30.877 3.047 48.246 1.00 0.00 SOLV H ATOM 18312 OH2 TIP3 5428 24.687 6.779 39.798 1.00 0.00 SOLV O ATOM 18313 H1 TIP3 5428 24.141 6.505 39.039 1.00 0.00 SOLV H ATOM 18314 H2 TIP3 5428 25.449 7.185 39.336 1.00 0.00 SOLV H ATOM 18315 OH2 TIP3 5429 35.007 18.876 55.420 1.00 0.00 SOLV O ATOM 18316 H1 TIP3 5429 35.272 19.305 54.588 1.00 0.00 SOLV H ATOM 18317 H2 TIP3 5429 35.769 19.090 55.996 1.00 0.00 SOLV H ATOM 18318 OH2 TIP3 5430 22.682 11.575 54.711 1.00 0.00 SOLV O ATOM 18319 H1 TIP3 5430 23.324 11.564 55.448 1.00 0.00 SOLV H ATOM 18320 H2 TIP3 5430 21.844 11.497 55.215 1.00 0.00 SOLV H ATOM 18321 OH2 TIP3 5431 28.266 6.912 47.616 1.00 0.00 SOLV O ATOM 18322 H1 TIP3 5431 28.855 6.278 47.186 1.00 0.00 SOLV H ATOM 18323 H2 TIP3 5431 27.898 6.368 48.350 1.00 0.00 SOLV H ATOM 18324 OH2 TIP3 5432 23.470 3.100 44.069 1.00 0.00 SOLV O ATOM 18325 H1 TIP3 5432 22.811 2.390 44.231 1.00 0.00 SOLV H ATOM 18326 H2 TIP3 5432 24.292 2.563 44.074 1.00 0.00 SOLV H ATOM 18327 OH2 TIP3 5433 27.227 5.603 49.819 1.00 0.00 SOLV O ATOM 18328 H1 TIP3 5433 26.304 5.917 49.921 1.00 0.00 SOLV H ATOM 18329 H2 TIP3 5433 27.647 5.889 50.654 1.00 0.00 SOLV H ATOM 18330 OH2 TIP3 5434 27.621 11.330 41.644 1.00 0.00 SOLV O ATOM 18331 H1 TIP3 5434 26.884 10.848 41.214 1.00 0.00 SOLV H ATOM 18332 H2 TIP3 5434 27.227 11.510 42.534 1.00 0.00 SOLV H ATOM 18333 OH2 TIP3 5435 34.815 10.682 50.239 1.00 0.00 SOLV O ATOM 18334 H1 TIP3 5435 35.334 11.289 49.673 1.00 0.00 SOLV H ATOM 18335 H2 TIP3 5435 34.036 10.483 49.673 1.00 0.00 SOLV H ATOM 18336 OH2 TIP3 5436 31.423 4.177 39.803 1.00 0.00 SOLV O ATOM 18337 H1 TIP3 5436 30.444 4.069 39.719 1.00 0.00 SOLV H ATOM 18338 H2 TIP3 5436 31.513 4.955 40.387 1.00 0.00 SOLV H ATOM 18339 OH2 TIP3 5437 29.172 11.706 52.849 1.00 0.00 SOLV O ATOM 18340 H1 TIP3 5437 29.357 11.290 53.703 1.00 0.00 SOLV H ATOM 18341 H2 TIP3 5437 28.883 12.596 53.101 1.00 0.00 SOLV H ATOM 18342 OH2 TIP3 5438 32.088 6.143 41.683 1.00 0.00 SOLV O ATOM 18343 H1 TIP3 5438 32.992 5.992 42.022 1.00 0.00 SOLV H ATOM 18344 H2 TIP3 5438 32.150 7.048 41.320 1.00 0.00 SOLV H ATOM 18345 OH2 TIP3 5439 22.973 10.873 47.371 1.00 0.00 SOLV O ATOM 18346 H1 TIP3 5439 23.541 10.650 46.604 1.00 0.00 SOLV H ATOM 18347 H2 TIP3 5439 23.219 10.169 47.995 1.00 0.00 SOLV H ATOM 18348 OH2 TIP3 5440 29.733 12.793 40.735 1.00 0.00 SOLV O ATOM 18349 H1 TIP3 5440 29.352 13.694 40.860 1.00 0.00 SOLV H ATOM 18350 H2 TIP3 5440 28.987 12.235 41.052 1.00 0.00 SOLV H ATOM 18351 OH2 TIP3 5441 20.074 9.128 52.771 1.00 0.00 SOLV O ATOM 18352 H1 TIP3 5441 19.935 8.771 53.672 1.00 0.00 SOLV H ATOM 18353 H2 TIP3 5441 19.398 8.625 52.284 1.00 0.00 SOLV H ATOM 18354 OH2 TIP3 5442 27.101 8.833 54.939 1.00 0.00 SOLV O ATOM 18355 H1 TIP3 5442 26.510 8.417 54.292 1.00 0.00 SOLV H ATOM 18356 H2 TIP3 5442 27.938 8.348 54.774 1.00 0.00 SOLV H ATOM 18357 OH2 TIP3 5443 31.293 14.198 52.790 1.00 0.00 SOLV O ATOM 18358 H1 TIP3 5443 30.328 14.309 52.720 1.00 0.00 SOLV H ATOM 18359 H2 TIP3 5443 31.434 14.441 53.733 1.00 0.00 SOLV H ATOM 18360 OH2 TIP3 5444 36.881 6.569 41.313 1.00 0.00 SOLV O ATOM 18361 H1 TIP3 5444 36.426 6.373 40.459 1.00 0.00 SOLV H ATOM 18362 H2 TIP3 5444 37.092 7.511 41.123 1.00 0.00 SOLV H ATOM 18363 OH2 TIP3 5445 37.287 12.335 54.044 1.00 0.00 SOLV O ATOM 18364 H1 TIP3 5445 36.364 12.438 53.720 1.00 0.00 SOLV H ATOM 18365 H2 TIP3 5445 37.739 12.140 53.193 1.00 0.00 SOLV H ATOM 18366 OH2 TIP3 5446 35.425 15.130 41.705 1.00 0.00 SOLV O ATOM 18367 H1 TIP3 5446 34.951 14.352 42.028 1.00 0.00 SOLV H ATOM 18368 H2 TIP3 5446 35.773 14.835 40.843 1.00 0.00 SOLV H ATOM 18369 OH2 TIP3 5447 32.656 10.023 48.517 1.00 0.00 SOLV O ATOM 18370 H1 TIP3 5447 31.691 9.916 48.423 1.00 0.00 SOLV H ATOM 18371 H2 TIP3 5447 32.970 9.234 48.029 1.00 0.00 SOLV H ATOM 18372 OH2 TIP3 5448 25.354 14.303 44.878 1.00 0.00 SOLV O ATOM 18373 H1 TIP3 5448 25.492 15.187 44.495 1.00 0.00 SOLV H ATOM 18374 H2 TIP3 5448 24.402 14.182 44.786 1.00 0.00 SOLV H ATOM 18375 OH2 TIP3 5449 21.016 8.954 39.420 1.00 0.00 SOLV O ATOM 18376 H1 TIP3 5449 21.498 9.612 39.967 1.00 0.00 SOLV H ATOM 18377 H2 TIP3 5449 20.124 8.997 39.833 1.00 0.00 SOLV H ATOM 18378 OH2 TIP3 5450 26.327 11.870 43.943 1.00 0.00 SOLV O ATOM 18379 H1 TIP3 5450 26.119 12.733 44.346 1.00 0.00 SOLV H ATOM 18380 H2 TIP3 5450 25.790 11.263 44.490 1.00 0.00 SOLV H ATOM 18381 OH2 TIP3 5451 27.151 16.121 50.707 1.00 0.00 SOLV O ATOM 18382 H1 TIP3 5451 27.819 16.815 50.525 1.00 0.00 SOLV H ATOM 18383 H2 TIP3 5451 27.669 15.509 51.261 1.00 0.00 SOLV H ATOM 18384 OH2 TIP3 5452 25.224 17.107 43.781 1.00 0.00 SOLV O ATOM 18385 H1 TIP3 5452 24.294 17.162 44.085 1.00 0.00 SOLV H ATOM 18386 H2 TIP3 5452 25.584 17.939 44.142 1.00 0.00 SOLV H ATOM 18387 OH2 TIP3 5453 30.322 12.033 50.400 1.00 0.00 SOLV O ATOM 18388 H1 TIP3 5453 29.930 11.869 51.289 1.00 0.00 SOLV H ATOM 18389 H2 TIP3 5453 31.001 11.345 50.370 1.00 0.00 SOLV H ATOM 18390 OH2 TIP3 5454 33.085 13.193 39.675 1.00 0.00 SOLV O ATOM 18391 H1 TIP3 5454 33.404 12.699 40.468 1.00 0.00 SOLV H ATOM 18392 H2 TIP3 5454 32.153 12.930 39.667 1.00 0.00 SOLV H ATOM 18393 OH2 TIP3 5455 33.332 16.469 52.682 1.00 0.00 SOLV O ATOM 18394 H1 TIP3 5455 32.497 16.052 52.387 1.00 0.00 SOLV H ATOM 18395 H2 TIP3 5455 33.385 17.243 52.083 1.00 0.00 SOLV H ATOM 18396 OH2 TIP3 5456 37.372 17.521 39.743 1.00 0.00 SOLV O ATOM 18397 H1 TIP3 5456 38.022 18.251 39.781 1.00 0.00 SOLV H ATOM 18398 H2 TIP3 5456 36.562 17.975 40.033 1.00 0.00 SOLV H ATOM 18399 OH2 TIP3 5457 21.224 4.096 52.142 1.00 0.00 SOLV O ATOM 18400 H1 TIP3 5457 20.303 3.958 51.842 1.00 0.00 SOLV H ATOM 18401 H2 TIP3 5457 21.304 3.345 52.756 1.00 0.00 SOLV H ATOM 18402 OH2 TIP3 5458 33.994 11.808 41.826 1.00 0.00 SOLV O ATOM 18403 H1 TIP3 5458 33.599 11.030 42.271 1.00 0.00 SOLV H ATOM 18404 H2 TIP3 5458 34.945 11.580 41.910 1.00 0.00 SOLV H ATOM 18405 OH2 TIP3 5459 21.101 15.560 50.537 1.00 0.00 SOLV O ATOM 18406 H1 TIP3 5459 21.455 14.698 50.820 1.00 0.00 SOLV H ATOM 18407 H2 TIP3 5459 21.187 16.059 51.358 1.00 0.00 SOLV H ATOM 18408 OH2 TIP3 5460 26.851 14.216 38.011 1.00 0.00 SOLV O ATOM 18409 H1 TIP3 5460 26.954 13.336 37.600 1.00 0.00 SOLV H ATOM 18410 H2 TIP3 5460 26.413 13.976 38.852 1.00 0.00 SOLV H ATOM 18411 OH2 TIP3 5461 25.631 13.836 40.471 1.00 0.00 SOLV O ATOM 18412 H1 TIP3 5461 26.202 13.276 41.020 1.00 0.00 SOLV H ATOM 18413 H2 TIP3 5461 25.814 14.731 40.828 1.00 0.00 SOLV H ATOM 18414 OH2 TIP3 5462 22.095 10.919 41.020 1.00 0.00 SOLV O ATOM 18415 H1 TIP3 5462 21.376 11.392 41.489 1.00 0.00 SOLV H ATOM 18416 H2 TIP3 5462 22.538 11.667 40.578 1.00 0.00 SOLV H ATOM 18417 OH2 TIP3 5463 30.525 3.863 51.176 1.00 0.00 SOLV O ATOM 18418 H1 TIP3 5463 31.227 4.057 51.828 1.00 0.00 SOLV H ATOM 18419 H2 TIP3 5463 30.053 3.103 51.594 1.00 0.00 SOLV H ATOM 18420 OH2 TIP3 5464 30.985 3.024 42.661 1.00 0.00 SOLV O ATOM 18421 H1 TIP3 5464 31.112 3.439 41.793 1.00 0.00 SOLV H ATOM 18422 H2 TIP3 5464 31.411 3.674 43.262 1.00 0.00 SOLV H ATOM 18423 OH2 TIP3 5465 28.638 15.241 41.012 1.00 0.00 SOLV O ATOM 18424 H1 TIP3 5465 27.747 15.598 41.182 1.00 0.00 SOLV H ATOM 18425 H2 TIP3 5465 29.106 16.051 40.759 1.00 0.00 SOLV H ATOM 18426 OH2 TIP3 5466 27.918 5.183 43.214 1.00 0.00 SOLV O ATOM 18427 H1 TIP3 5466 28.680 5.781 43.367 1.00 0.00 SOLV H ATOM 18428 H2 TIP3 5466 27.726 4.899 44.135 1.00 0.00 SOLV H ATOM 18429 OH2 TIP3 5467 28.843 6.130 52.121 1.00 0.00 SOLV O ATOM 18430 H1 TIP3 5467 28.987 6.387 53.057 1.00 0.00 SOLV H ATOM 18431 H2 TIP3 5467 29.241 5.243 52.082 1.00 0.00 SOLV H ATOM 18432 OH2 TIP3 5468 28.685 2.202 43.994 1.00 0.00 SOLV O ATOM 18433 H1 TIP3 5468 28.768 2.908 44.649 1.00 0.00 SOLV H ATOM 18434 H2 TIP3 5468 29.509 2.317 43.477 1.00 0.00 SOLV H ATOM 18435 OH2 TIP3 5469 26.187 16.428 41.307 1.00 0.00 SOLV O ATOM 18436 H1 TIP3 5469 26.151 17.311 40.893 1.00 0.00 SOLV H ATOM 18437 H2 TIP3 5469 25.832 16.629 42.203 1.00 0.00 SOLV H ATOM 18438 OH2 TIP3 5470 24.740 3.380 40.710 1.00 0.00 SOLV O ATOM 18439 H1 TIP3 5470 24.583 4.059 41.394 1.00 0.00 SOLV H ATOM 18440 H2 TIP3 5470 25.604 3.040 41.030 1.00 0.00 SOLV H ATOM 18441 OH2 TIP3 5471 34.861 3.968 53.185 1.00 0.00 SOLV O ATOM 18442 H1 TIP3 5471 33.902 4.183 53.173 1.00 0.00 SOLV H ATOM 18443 H2 TIP3 5471 34.917 3.549 52.306 1.00 0.00 SOLV H ATOM 18444 OH2 TIP3 5472 33.429 7.678 47.117 1.00 0.00 SOLV O ATOM 18445 H1 TIP3 5472 32.573 7.242 46.947 1.00 0.00 SOLV H ATOM 18446 H2 TIP3 5472 33.892 6.999 47.655 1.00 0.00 SOLV H ATOM 18447 OH2 TIP3 5473 23.029 13.239 39.627 1.00 0.00 SOLV O ATOM 18448 H1 TIP3 5473 23.851 13.577 40.042 1.00 0.00 SOLV H ATOM 18449 H2 TIP3 5473 23.444 12.663 38.945 1.00 0.00 SOLV H ATOM 18450 OH2 TIP3 5474 20.972 6.206 39.143 1.00 0.00 SOLV O ATOM 18451 H1 TIP3 5474 21.153 7.147 39.331 1.00 0.00 SOLV H ATOM 18452 H2 TIP3 5474 20.425 6.255 38.352 1.00 0.00 SOLV H ATOM 18453 OH2 TIP3 5475 34.634 17.083 48.823 1.00 0.00 SOLV O ATOM 18454 H1 TIP3 5475 34.489 17.772 48.135 1.00 0.00 SOLV H ATOM 18455 H2 TIP3 5475 35.614 17.119 48.903 1.00 0.00 SOLV H ATOM 18456 OH2 TIP3 5476 20.957 15.038 43.460 1.00 0.00 SOLV O ATOM 18457 H1 TIP3 5476 20.265 15.215 44.112 1.00 0.00 SOLV H ATOM 18458 H2 TIP3 5476 20.768 15.701 42.754 1.00 0.00 SOLV H ATOM 18459 OH2 TIP3 5477 20.421 17.932 55.303 1.00 0.00 SOLV O ATOM 18460 H1 TIP3 5477 21.086 17.691 55.990 1.00 0.00 SOLV H ATOM 18461 H2 TIP3 5477 20.120 17.043 55.050 1.00 0.00 SOLV H ATOM 18462 OH2 TIP3 5478 24.644 16.456 56.608 1.00 0.00 SOLV O ATOM 18463 H1 TIP3 5478 25.435 16.010 56.947 1.00 0.00 SOLV H ATOM 18464 H2 TIP3 5478 24.504 15.959 55.775 1.00 0.00 SOLV H ATOM 18465 OH2 TIP3 5479 28.942 16.024 37.863 1.00 0.00 SOLV O ATOM 18466 H1 TIP3 5479 28.256 15.327 37.986 1.00 0.00 SOLV H ATOM 18467 H2 TIP3 5479 29.726 15.478 37.673 1.00 0.00 SOLV H ATOM 18468 OH2 TIP3 5480 31.432 14.822 55.425 1.00 0.00 SOLV O ATOM 18469 H1 TIP3 5480 31.031 14.044 55.880 1.00 0.00 SOLV H ATOM 18470 H2 TIP3 5480 32.098 15.115 56.076 1.00 0.00 SOLV H ATOM 18471 OH2 TIP3 5481 33.403 15.561 38.440 1.00 0.00 SOLV O ATOM 18472 H1 TIP3 5481 33.381 14.731 38.970 1.00 0.00 SOLV H ATOM 18473 H2 TIP3 5481 34.289 15.520 38.038 1.00 0.00 SOLV H ATOM 18474 OH2 TIP3 5482 20.219 11.472 55.967 1.00 0.00 SOLV O ATOM 18475 H1 TIP3 5482 20.139 10.503 56.039 1.00 0.00 SOLV H ATOM 18476 H2 TIP3 5482 19.469 11.701 55.382 1.00 0.00 SOLV H ATOM 18477 OH2 TIP3 5483 24.402 11.442 38.189 1.00 0.00 SOLV O ATOM 18478 H1 TIP3 5483 24.720 10.923 38.958 1.00 0.00 SOLV H ATOM 18479 H2 TIP3 5483 25.242 11.521 37.685 1.00 0.00 SOLV H ATOM 18480 OH2 TIP3 5484 26.713 11.592 55.576 1.00 0.00 SOLV O ATOM 18481 H1 TIP3 5484 26.597 12.041 54.716 1.00 0.00 SOLV H ATOM 18482 H2 TIP3 5484 26.934 10.674 55.313 1.00 0.00 SOLV H ATOM 18483 OH2 TIP3 5485 30.139 12.904 38.022 1.00 0.00 SOLV O ATOM 18484 H1 TIP3 5485 29.922 12.809 38.973 1.00 0.00 SOLV H ATOM 18485 H2 TIP3 5485 30.077 11.965 37.733 1.00 0.00 SOLV H ATOM 18486 OH2 TIP3 5486 32.454 11.579 53.075 1.00 0.00 SOLV O ATOM 18487 H1 TIP3 5486 33.372 11.887 52.948 1.00 0.00 SOLV H ATOM 18488 H2 TIP3 5486 31.956 12.398 52.890 1.00 0.00 SOLV H ATOM 18489 OH2 TIP3 5487 21.019 8.728 55.680 1.00 0.00 SOLV O ATOM 18490 H1 TIP3 5487 21.780 8.145 55.587 1.00 0.00 SOLV H ATOM 18491 H2 TIP3 5487 20.969 8.828 56.657 1.00 0.00 SOLV H ATOM 18492 OH2 TIP3 5488 25.555 9.948 40.385 1.00 0.00 SOLV O ATOM 18493 H1 TIP3 5488 25.078 9.468 41.084 1.00 0.00 SOLV H ATOM 18494 H2 TIP3 5488 25.995 9.217 39.899 1.00 0.00 SOLV H ATOM 18495 OH2 TIP3 5489 24.932 7.583 52.916 1.00 0.00 SOLV O ATOM 18496 H1 TIP3 5489 24.265 8.303 52.864 1.00 0.00 SOLV H ATOM 18497 H2 TIP3 5489 25.673 7.970 52.391 1.00 0.00 SOLV H ATOM 18498 OH2 TIP3 5490 26.844 8.092 38.743 1.00 0.00 SOLV O ATOM 18499 H1 TIP3 5490 26.900 8.390 37.813 1.00 0.00 SOLV H ATOM 18500 H2 TIP3 5490 27.789 7.899 38.923 1.00 0.00 SOLV H ATOM 18501 OH2 TIP3 5491 30.067 10.214 56.201 1.00 0.00 SOLV O ATOM 18502 H1 TIP3 5491 30.907 9.777 56.020 1.00 0.00 SOLV H ATOM 18503 H2 TIP3 5491 29.641 9.562 56.792 1.00 0.00 SOLV H ATOM 18504 OH2 TIP3 5492 35.843 10.198 38.347 1.00 0.00 SOLV O ATOM 18505 H1 TIP3 5492 35.899 9.998 37.390 1.00 0.00 SOLV H ATOM 18506 H2 TIP3 5492 35.697 11.171 38.293 1.00 0.00 SOLV H ATOM 18507 OH2 TIP3 5493 25.568 5.107 53.790 1.00 0.00 SOLV O ATOM 18508 H1 TIP3 5493 25.646 4.511 53.016 1.00 0.00 SOLV H ATOM 18509 H2 TIP3 5493 25.356 5.967 53.357 1.00 0.00 SOLV H ATOM 18510 OH2 TIP3 5494 25.858 3.407 51.565 1.00 0.00 SOLV O ATOM 18511 H1 TIP3 5494 26.328 3.826 50.827 1.00 0.00 SOLV H ATOM 18512 H2 TIP3 5494 24.945 3.341 51.191 1.00 0.00 SOLV H ATOM 18513 OH2 TIP3 5495 26.972 8.729 51.649 1.00 0.00 SOLV O ATOM 18514 H1 TIP3 5495 27.935 8.757 51.590 1.00 0.00 SOLV H ATOM 18515 H2 TIP3 5495 26.705 9.556 51.197 1.00 0.00 SOLV H ATOM 18516 OH2 TIP3 5496 31.514 6.680 56.485 1.00 0.00 SOLV O ATOM 18517 H1 TIP3 5496 31.800 5.758 56.564 1.00 0.00 SOLV H ATOM 18518 H2 TIP3 5496 32.356 7.158 56.483 1.00 0.00 SOLV H ATOM 18519 OH2 TIP3 5497 33.007 9.429 54.638 1.00 0.00 SOLV O ATOM 18520 H1 TIP3 5497 32.672 10.214 54.143 1.00 0.00 SOLV H ATOM 18521 H2 TIP3 5497 33.977 9.570 54.557 1.00 0.00 SOLV H ATOM 18522 OH2 TIP3 5498 23.963 5.797 56.037 1.00 0.00 SOLV O ATOM 18523 H1 TIP3 5498 23.128 5.301 55.886 1.00 0.00 SOLV H ATOM 18524 H2 TIP3 5498 24.412 5.694 55.176 1.00 0.00 SOLV H ATOM 18525 OH2 TIP3 5499 26.597 0.742 52.380 1.00 0.00 SOLV O ATOM 18526 H1 TIP3 5499 26.197 1.613 52.174 1.00 0.00 SOLV H ATOM 18527 H2 TIP3 5499 26.271 0.203 51.636 1.00 0.00 SOLV H ATOM 18528 OH2 TIP3 5500 27.794 4.860 55.418 1.00 0.00 SOLV O ATOM 18529 H1 TIP3 5500 27.349 4.513 56.211 1.00 0.00 SOLV H ATOM 18530 H2 TIP3 5500 27.028 4.900 54.805 1.00 0.00 SOLV H ATOM 18531 OH2 TIP3 5501 30.418 4.259 54.631 1.00 0.00 SOLV O ATOM 18532 H1 TIP3 5501 29.495 4.280 54.957 1.00 0.00 SOLV H ATOM 18533 H2 TIP3 5501 30.833 3.600 55.211 1.00 0.00 SOLV H ATOM 18534 OH2 TIP3 5502 32.205 2.790 56.477 1.00 0.00 SOLV O ATOM 18535 H1 TIP3 5502 31.839 1.912 56.627 1.00 0.00 SOLV H ATOM 18536 H2 TIP3 5502 31.975 3.247 57.318 1.00 0.00 SOLV H ATOM 18537 OH2 TIP3 5503 21.809 4.124 55.756 1.00 0.00 SOLV O ATOM 18538 H1 TIP3 5503 21.789 3.320 55.190 1.00 0.00 SOLV H ATOM 18539 H2 TIP3 5503 21.826 3.730 56.650 1.00 0.00 SOLV H ATOM 18540 OH2 TIP3 5504 27.526 1.905 56.568 1.00 0.00 SOLV O ATOM 18541 H1 TIP3 5504 27.208 1.090 56.157 1.00 0.00 SOLV H ATOM 18542 H2 TIP3 5504 26.732 2.477 56.606 1.00 0.00 SOLV H ATOM 18543 OH2 TIP3 5505 26.761 19.016 40.111 1.00 0.00 SOLV O ATOM 18544 H1 TIP3 5505 27.628 18.566 40.085 1.00 0.00 SOLV H ATOM 18545 H2 TIP3 5505 26.797 19.513 39.271 1.00 0.00 SOLV H ATOM 18546 OH2 TIP3 5506 20.326 13.462 39.201 1.00 0.00 SOLV O ATOM 18547 H1 TIP3 5506 21.294 13.463 39.373 1.00 0.00 SOLV H ATOM 18548 H2 TIP3 5506 20.239 12.669 38.628 1.00 0.00 SOLV H ATOM 18549 OH2 TIP3 5507 19.174 18.597 44.522 1.00 0.00 SOLV O ATOM 18550 H1 TIP3 5507 18.589 18.217 43.830 1.00 0.00 SOLV H ATOM 18551 H2 TIP3 5507 19.327 17.801 45.078 1.00 0.00 SOLV H ATOM 18552 OH2 TIP3 5508 19.687 16.470 46.196 1.00 0.00 SOLV O ATOM 18553 H1 TIP3 5508 19.346 15.699 46.695 1.00 0.00 SOLV H ATOM 18554 H2 TIP3 5508 20.172 16.908 46.917 1.00 0.00 SOLV H ATOM 18555 OH2 TIP3 5509 37.297 17.423 49.335 1.00 0.00 SOLV O ATOM 18556 H1 TIP3 5509 37.323 17.491 50.307 1.00 0.00 SOLV H ATOM 18557 H2 TIP3 5509 38.153 17.798 49.076 1.00 0.00 SOLV H ATOM 18558 OH2 TIP3 5510 36.789 17.037 52.099 1.00 0.00 SOLV O ATOM 18559 H1 TIP3 5510 36.230 16.305 51.759 1.00 0.00 SOLV H ATOM 18560 H2 TIP3 5510 37.295 16.552 52.772 1.00 0.00 SOLV H ATOM 18561 OH2 TIP3 5511 35.220 12.753 56.870 1.00 0.00 SOLV O ATOM 18562 H1 TIP3 5511 34.370 12.875 57.339 1.00 0.00 SOLV H ATOM 18563 H2 TIP3 5511 35.743 13.504 57.218 1.00 0.00 SOLV H ATOM 18564 OH2 TIP3 5512 36.637 11.081 42.204 1.00 0.00 SOLV O ATOM 18565 H1 TIP3 5512 37.429 11.658 42.215 1.00 0.00 SOLV H ATOM 18566 H2 TIP3 5512 36.821 10.485 42.965 1.00 0.00 SOLV H ATOM 18567 OH2 TIP3 5513 37.109 9.148 44.126 1.00 0.00 SOLV O ATOM 18568 H1 TIP3 5513 36.242 8.790 44.418 1.00 0.00 SOLV H ATOM 18569 H2 TIP3 5513 37.599 9.230 44.971 1.00 0.00 SOLV H ATOM 18570 OH2 TIP3 5514 37.052 12.067 49.276 1.00 0.00 SOLV O ATOM 18571 H1 TIP3 5514 37.561 11.352 48.841 1.00 0.00 SOLV H ATOM 18572 H2 TIP3 5514 37.330 12.857 48.773 1.00 0.00 SOLV H ATOM 18573 OH2 TIP3 5515 35.189 14.876 51.349 1.00 0.00 SOLV O ATOM 18574 H1 TIP3 5515 34.423 15.310 51.772 1.00 0.00 SOLV H ATOM 18575 H2 TIP3 5515 34.850 14.687 50.448 1.00 0.00 SOLV H ATOM 18576 OH2 TIP3 5516 37.325 9.124 40.389 1.00 0.00 SOLV O ATOM 18577 H1 TIP3 5516 36.813 9.392 39.593 1.00 0.00 SOLV H ATOM 18578 H2 TIP3 5516 37.012 9.804 41.020 1.00 0.00 SOLV H ATOM 18579 OH2 TIP3 5517 35.716 6.326 38.879 1.00 0.00 SOLV O ATOM 18580 H1 TIP3 5517 35.637 6.831 38.063 1.00 0.00 SOLV H ATOM 18581 H2 TIP3 5517 35.391 5.451 38.572 1.00 0.00 SOLV H ATOM 18582 OH2 TIP3 5518 34.692 7.956 44.684 1.00 0.00 SOLV O ATOM 18583 H1 TIP3 5518 34.646 7.037 44.372 1.00 0.00 SOLV H ATOM 18584 H2 TIP3 5518 34.279 7.897 45.576 1.00 0.00 SOLV H ATOM 18585 OH2 TIP3 5519 19.651 9.882 48.693 1.00 0.00 SOLV O ATOM 18586 H1 TIP3 5519 19.799 9.628 47.758 1.00 0.00 SOLV H ATOM 18587 H2 TIP3 5519 20.516 9.615 49.089 1.00 0.00 SOLV H ATOM 18588 OH2 TIP3 5520 35.741 9.806 54.505 1.00 0.00 SOLV O ATOM 18589 H1 TIP3 5520 36.330 9.034 54.358 1.00 0.00 SOLV H ATOM 18590 H2 TIP3 5520 36.233 10.528 54.086 1.00 0.00 SOLV H ATOM 18591 OH2 TIP3 5521 37.169 7.493 54.360 1.00 0.00 SOLV O ATOM 18592 H1 TIP3 5521 36.269 7.116 54.478 1.00 0.00 SOLV H ATOM 18593 H2 TIP3 5521 37.699 6.703 54.611 1.00 0.00 SOLV H ATOM 18594 OH2 TIP3 5522 34.840 3.931 37.940 1.00 0.00 SOLV O ATOM 18595 H1 TIP3 5522 35.416 3.436 38.558 1.00 0.00 SOLV H ATOM 18596 H2 TIP3 5522 34.096 3.329 37.787 1.00 0.00 SOLV H ATOM 18597 OH2 TIP3 5523 34.633 5.510 42.966 1.00 0.00 SOLV O ATOM 18598 H1 TIP3 5523 34.927 4.569 43.008 1.00 0.00 SOLV H ATOM 18599 H2 TIP3 5523 35.380 5.889 42.465 1.00 0.00 SOLV H ATOM 18600 OH2 TIP3 5524 34.946 5.752 48.420 1.00 0.00 SOLV O ATOM 18601 H1 TIP3 5524 35.912 5.893 48.297 1.00 0.00 SOLV H ATOM 18602 H2 TIP3 5524 34.884 5.900 49.385 1.00 0.00 SOLV H ATOM 18603 OH2 TIP3 5525 35.210 6.647 51.080 1.00 0.00 SOLV O ATOM 18604 H1 TIP3 5525 34.405 6.988 51.513 1.00 0.00 SOLV H ATOM 18605 H2 TIP3 5525 35.755 7.458 50.999 1.00 0.00 SOLV H ATOM 18606 OH2 TIP3 5526 19.437 5.043 54.738 1.00 0.00 SOLV O ATOM 18607 H1 TIP3 5526 20.350 4.865 55.048 1.00 0.00 SOLV H ATOM 18608 H2 TIP3 5526 19.025 4.172 54.893 1.00 0.00 SOLV H ATOM 18609 OH2 TIP3 5527 37.644 1.002 56.814 1.00 0.00 SOLV O ATOM 18610 H1 TIP3 5527 38.282 0.324 56.544 1.00 0.00 SOLV H ATOM 18611 H2 TIP3 5527 37.366 1.392 55.958 1.00 0.00 SOLV H ATOM 18612 OH2 TIP3 5528 35.303 2.861 43.078 1.00 0.00 SOLV O ATOM 18613 H1 TIP3 5528 35.403 2.365 43.916 1.00 0.00 SOLV H ATOM 18614 H2 TIP3 5528 34.559 2.370 42.662 1.00 0.00 SOLV H ATOM 18615 OH2 TIP3 5529 20.646 3.426 47.645 1.00 0.00 SOLV O ATOM 18616 H1 TIP3 5529 21.030 2.566 47.850 1.00 0.00 SOLV H ATOM 18617 H2 TIP3 5529 21.384 4.026 47.870 1.00 0.00 SOLV H ATOM 18618 OH2 TIP3 5530 18.774 6.306 48.440 1.00 0.00 SOLV O ATOM 18619 H1 TIP3 5530 19.539 6.424 47.842 1.00 0.00 SOLV H ATOM 18620 H2 TIP3 5530 19.065 6.767 49.236 1.00 0.00 SOLV H ATOM 18621 OH2 TIP3 5531 36.889 2.649 54.655 1.00 0.00 SOLV O ATOM 18622 H1 TIP3 5531 36.071 3.146 54.850 1.00 0.00 SOLV H ATOM 18623 H2 TIP3 5531 36.749 2.465 53.712 1.00 0.00 SOLV H ATOM 18624 OH2 TIP3 5532 36.787 2.911 39.639 1.00 0.00 SOLV O ATOM 18625 H1 TIP3 5532 37.208 2.217 39.080 1.00 0.00 SOLV H ATOM 18626 H2 TIP3 5532 37.563 3.377 40.009 1.00 0.00 SOLV H ATOM 18627 OH2 TIP3 5533 19.176 2.349 42.559 1.00 0.00 SOLV O ATOM 18628 H1 TIP3 5533 18.238 2.601 42.656 1.00 0.00 SOLV H ATOM 18629 H2 TIP3 5533 19.527 3.136 42.087 1.00 0.00 SOLV H ATOM 18630 OH2 TIP3 5534 34.002 17.701 44.728 1.00 0.00 SOLV O ATOM 18631 H1 TIP3 5534 34.759 17.684 44.105 1.00 0.00 SOLV H ATOM 18632 H2 TIP3 5534 34.406 18.112 45.512 1.00 0.00 SOLV H ATOM 18633 OH2 TIP3 5535 19.402 2.003 51.467 1.00 0.00 SOLV O ATOM 18634 H1 TIP3 5535 19.041 1.111 51.554 1.00 0.00 SOLV H ATOM 18635 H2 TIP3 5535 18.931 2.343 50.687 1.00 0.00 SOLV H ATOM 18636 OH2 TIP3 5536 21.433 14.948 55.260 1.00 0.00 SOLV O ATOM 18637 H1 TIP3 5536 20.547 14.861 54.868 1.00 0.00 SOLV H ATOM 18638 H2 TIP3 5536 21.274 14.536 56.135 1.00 0.00 SOLV H ATOM 18639 OH2 TIP3 5537 24.485 15.767 51.445 1.00 0.00 SOLV O ATOM 18640 H1 TIP3 5537 24.283 16.689 51.186 1.00 0.00 SOLV H ATOM 18641 H2 TIP3 5537 25.448 15.775 51.267 1.00 0.00 SOLV H ATOM 18642 OH2 TIP3 5538 28.541 16.982 54.309 1.00 0.00 SOLV O ATOM 18643 H1 TIP3 5538 28.690 16.645 55.223 1.00 0.00 SOLV H ATOM 18644 H2 TIP3 5538 29.389 17.447 54.153 1.00 0.00 SOLV H ATOM 18645 OH2 TIP3 5539 30.877 18.391 53.872 1.00 0.00 SOLV O ATOM 18646 H1 TIP3 5539 31.564 17.801 53.531 1.00 0.00 SOLV H ATOM 18647 H2 TIP3 5539 31.301 18.703 54.701 1.00 0.00 SOLV H ATOM 18648 OH2 TIP3 5540 35.565 0.718 52.261 1.00 0.00 SOLV O ATOM 18649 H1 TIP3 5540 35.154 1.476 51.790 1.00 0.00 SOLV H ATOM 18650 H2 TIP3 5540 35.475 0.022 51.595 1.00 0.00 SOLV H ATOM 18651 OH2 TIP3 5541 21.650 18.904 51.468 1.00 0.00 SOLV O ATOM 18652 H1 TIP3 5541 20.837 19.395 51.216 1.00 0.00 SOLV H ATOM 18653 H2 TIP3 5541 21.632 19.008 52.428 1.00 0.00 SOLV H ATOM 18654 OH2 TIP3 5542 24.237 18.409 50.725 1.00 0.00 SOLV O ATOM 18655 H1 TIP3 5542 23.293 18.594 50.934 1.00 0.00 SOLV H ATOM 18656 H2 TIP3 5542 24.330 18.820 49.848 1.00 0.00 SOLV H ATOM 18657 OH2 TIP3 5543 28.866 18.160 49.873 1.00 0.00 SOLV O ATOM 18658 H1 TIP3 5543 28.462 18.617 49.120 1.00 0.00 SOLV H ATOM 18659 H2 TIP3 5543 28.976 18.885 50.524 1.00 0.00 SOLV H ATOM 18660 OH2 TIP3 5544 31.212 16.955 50.860 1.00 0.00 SOLV O ATOM 18661 H1 TIP3 5544 30.410 17.369 50.491 1.00 0.00 SOLV H ATOM 18662 H2 TIP3 5544 31.889 17.636 50.700 1.00 0.00 SOLV H ATOM 18663 OH2 TIP3 5545 33.562 18.557 50.869 1.00 0.00 SOLV O ATOM 18664 H1 TIP3 5545 33.732 19.488 50.605 1.00 0.00 SOLV H ATOM 18665 H2 TIP3 5545 33.988 18.066 50.131 1.00 0.00 SOLV H ATOM 18666 OH2 TIP3 5546 21.200 17.395 48.434 1.00 0.00 SOLV O ATOM 18667 H1 TIP3 5546 21.186 16.859 49.259 1.00 0.00 SOLV H ATOM 18668 H2 TIP3 5546 21.975 16.967 48.004 1.00 0.00 SOLV H ATOM 18669 OH2 TIP3 5547 23.302 16.112 47.302 1.00 0.00 SOLV O ATOM 18670 H1 TIP3 5547 23.156 15.169 47.566 1.00 0.00 SOLV H ATOM 18671 H2 TIP3 5547 24.229 16.231 47.601 1.00 0.00 SOLV H ATOM 18672 OH2 TIP3 5548 25.980 16.405 48.226 1.00 0.00 SOLV O ATOM 18673 H1 TIP3 5548 26.091 15.457 47.992 1.00 0.00 SOLV H ATOM 18674 H2 TIP3 5548 26.336 16.363 49.140 1.00 0.00 SOLV H ATOM 18675 OH2 TIP3 5549 29.175 2.503 47.242 1.00 0.00 SOLV O ATOM 18676 H1 TIP3 5549 28.558 1.882 47.655 1.00 0.00 SOLV H ATOM 18677 H2 TIP3 5549 29.763 1.897 46.739 1.00 0.00 SOLV H ATOM 18678 OH2 TIP3 5550 35.224 0.956 47.674 1.00 0.00 SOLV O ATOM 18679 H1 TIP3 5550 35.690 1.380 46.927 1.00 0.00 SOLV H ATOM 18680 H2 TIP3 5550 34.453 0.593 47.205 1.00 0.00 SOLV H ATOM 18681 OH2 TIP3 5551 36.348 1.504 45.235 1.00 0.00 SOLV O ATOM 18682 H1 TIP3 5551 37.023 1.058 44.716 1.00 0.00 SOLV H ATOM 18683 H2 TIP3 5551 36.791 2.373 45.396 1.00 0.00 SOLV H ATOM 18684 OH2 TIP3 5552 21.967 0.950 44.790 1.00 0.00 SOLV O ATOM 18685 H1 TIP3 5552 21.433 0.249 44.404 1.00 0.00 SOLV H ATOM 18686 H2 TIP3 5552 22.614 0.456 45.318 1.00 0.00 SOLV H ATOM 18687 OH2 TIP3 5553 20.810 0.841 40.918 1.00 0.00 SOLV O ATOM 18688 H1 TIP3 5553 21.125 1.549 40.328 1.00 0.00 SOLV H ATOM 18689 H2 TIP3 5553 20.277 1.348 41.567 1.00 0.00 SOLV H ATOM 18690 OH2 TIP3 5554 25.752 1.664 44.836 1.00 0.00 SOLV O ATOM 18691 H1 TIP3 5554 26.699 1.880 44.849 1.00 0.00 SOLV H ATOM 18692 H2 TIP3 5554 25.598 1.251 45.718 1.00 0.00 SOLV H ATOM 18693 OH2 TIP3 5555 31.072 0.972 45.908 1.00 0.00 SOLV O ATOM 18694 H1 TIP3 5555 31.513 1.571 45.297 1.00 0.00 SOLV H ATOM 18695 H2 TIP3 5555 31.762 0.288 46.044 1.00 0.00 SOLV H ATOM 18696 OH2 TIP3 5556 33.230 1.439 42.009 1.00 0.00 SOLV O ATOM 18697 H1 TIP3 5556 32.314 1.721 42.209 1.00 0.00 SOLV H ATOM 18698 H2 TIP3 5556 33.138 0.465 41.924 1.00 0.00 SOLV H ATOM 18699 OH2 TIP3 5557 20.556 16.925 41.524 1.00 0.00 SOLV O ATOM 18700 H1 TIP3 5557 19.765 16.799 40.965 1.00 0.00 SOLV H ATOM 18701 H2 TIP3 5557 20.663 17.893 41.432 1.00 0.00 SOLV H ATOM 18702 OH2 TIP3 5558 22.390 2.693 39.241 1.00 0.00 SOLV O ATOM 18703 H1 TIP3 5558 22.864 2.121 38.603 1.00 0.00 SOLV H ATOM 18704 H2 TIP3 5558 23.116 2.933 39.853 1.00 0.00 SOLV H ATOM 18705 OH2 TIP3 5559 27.320 2.940 41.677 1.00 0.00 SOLV O ATOM 18706 H1 TIP3 5559 27.584 2.233 42.297 1.00 0.00 SOLV H ATOM 18707 H2 TIP3 5559 27.589 3.717 42.212 1.00 0.00 SOLV H ATOM 18708 OH2 TIP3 5560 29.212 17.784 39.965 1.00 0.00 SOLV O ATOM 18709 H1 TIP3 5560 30.190 17.891 39.910 1.00 0.00 SOLV H ATOM 18710 H2 TIP3 5560 29.080 17.246 39.147 1.00 0.00 SOLV H ATOM 18711 OH2 TIP3 5561 36.051 17.514 42.881 1.00 0.00 SOLV O ATOM 18712 H1 TIP3 5561 35.884 16.611 42.520 1.00 0.00 SOLV H ATOM 18713 H2 TIP3 5561 35.718 18.067 42.144 1.00 0.00 SOLV H ATOM 18714 OH2 TIP3 5562 21.698 1.852 54.277 1.00 0.00 SOLV O ATOM 18715 H1 TIP3 5562 21.142 1.138 53.937 1.00 0.00 SOLV H ATOM 18716 H2 TIP3 5562 22.372 1.374 54.797 1.00 0.00 SOLV H ATOM 18717 OH2 TIP3 5563 23.764 1.268 56.187 1.00 0.00 SOLV O ATOM 18718 H1 TIP3 5563 24.517 1.588 55.674 1.00 0.00 SOLV H ATOM 18719 H2 TIP3 5563 24.106 0.434 56.577 1.00 0.00 SOLV H ATOM 18720 OH2 TIP3 5564 22.280 17.463 38.502 1.00 0.00 SOLV O ATOM 18721 H1 TIP3 5564 22.073 17.214 39.414 1.00 0.00 SOLV H ATOM 18722 H2 TIP3 5564 23.104 16.949 38.333 1.00 0.00 SOLV H ATOM 18723 OH2 TIP3 5565 35.122 16.172 54.833 1.00 0.00 SOLV O ATOM 18724 H1 TIP3 5565 34.463 16.148 54.108 1.00 0.00 SOLV H ATOM 18725 H2 TIP3 5565 35.026 17.098 55.130 1.00 0.00 SOLV H ATOM 18726 OH2 TIP3 5566 49.787 10.148 44.659 1.00 0.00 SOLV O ATOM 18727 H1 TIP3 5566 49.631 11.111 44.553 1.00 0.00 SOLV H ATOM 18728 H2 TIP3 5566 49.097 9.804 44.062 1.00 0.00 SOLV H ATOM 18729 OH2 TIP3 5567 48.687 9.345 48.460 1.00 0.00 SOLV O ATOM 18730 H1 TIP3 5567 48.823 8.910 49.325 1.00 0.00 SOLV H ATOM 18731 H2 TIP3 5567 48.225 8.644 47.969 1.00 0.00 SOLV H ATOM 18732 OH2 TIP3 5568 40.799 8.912 49.856 1.00 0.00 SOLV O ATOM 18733 H1 TIP3 5568 40.809 8.062 50.335 1.00 0.00 SOLV H ATOM 18734 H2 TIP3 5568 41.664 9.269 50.097 1.00 0.00 SOLV H ATOM 18735 OH2 TIP3 5569 52.360 12.439 46.710 1.00 0.00 SOLV O ATOM 18736 H1 TIP3 5569 51.870 11.718 47.130 1.00 0.00 SOLV H ATOM 18737 H2 TIP3 5569 52.603 12.998 47.469 1.00 0.00 SOLV H ATOM 18738 OH2 TIP3 5570 41.991 13.536 48.110 1.00 0.00 SOLV O ATOM 18739 H1 TIP3 5570 41.773 12.613 47.857 1.00 0.00 SOLV H ATOM 18740 H2 TIP3 5570 42.944 13.448 48.295 1.00 0.00 SOLV H ATOM 18741 OH2 TIP3 5571 38.631 6.773 43.438 1.00 0.00 SOLV O ATOM 18742 H1 TIP3 5571 38.227 7.598 43.759 1.00 0.00 SOLV H ATOM 18743 H2 TIP3 5571 38.035 6.579 42.689 1.00 0.00 SOLV H ATOM 18744 OH2 TIP3 5572 39.032 9.102 46.107 1.00 0.00 SOLV O ATOM 18745 H1 TIP3 5572 39.352 8.197 46.321 1.00 0.00 SOLV H ATOM 18746 H2 TIP3 5572 39.837 9.530 45.786 1.00 0.00 SOLV H ATOM 18747 OH2 TIP3 5573 49.641 17.462 47.137 1.00 0.00 SOLV O ATOM 18748 H1 TIP3 5573 50.013 16.820 46.498 1.00 0.00 SOLV H ATOM 18749 H2 TIP3 5573 49.173 16.877 47.746 1.00 0.00 SOLV H ATOM 18750 OH2 TIP3 5574 46.925 11.854 48.831 1.00 0.00 SOLV O ATOM 18751 H1 TIP3 5574 47.345 11.100 48.381 1.00 0.00 SOLV H ATOM 18752 H2 TIP3 5574 47.681 12.122 49.397 1.00 0.00 SOLV H ATOM 18753 OH2 TIP3 5575 55.709 3.400 49.524 1.00 0.00 SOLV O ATOM 18754 H1 TIP3 5575 55.912 4.083 50.198 1.00 0.00 SOLV H ATOM 18755 H2 TIP3 5575 56.176 3.755 48.749 1.00 0.00 SOLV H ATOM 18756 OH2 TIP3 5576 50.189 6.143 48.851 1.00 0.00 SOLV O ATOM 18757 H1 TIP3 5576 50.359 5.189 48.951 1.00 0.00 SOLV H ATOM 18758 H2 TIP3 5576 49.996 6.196 47.894 1.00 0.00 SOLV H ATOM 18759 OH2 TIP3 5577 43.549 4.242 46.255 1.00 0.00 SOLV O ATOM 18760 H1 TIP3 5577 43.624 5.091 45.769 1.00 0.00 SOLV H ATOM 18761 H2 TIP3 5577 43.089 3.706 45.576 1.00 0.00 SOLV H ATOM 18762 OH2 TIP3 5578 51.338 4.488 44.536 1.00 0.00 SOLV O ATOM 18763 H1 TIP3 5578 51.839 4.142 45.309 1.00 0.00 SOLV H ATOM 18764 H2 TIP3 5578 52.059 4.873 44.003 1.00 0.00 SOLV H ATOM 18765 OH2 TIP3 5579 39.953 6.643 46.880 1.00 0.00 SOLV O ATOM 18766 H1 TIP3 5579 40.583 6.206 47.484 1.00 0.00 SOLV H ATOM 18767 H2 TIP3 5579 40.243 6.256 46.026 1.00 0.00 SOLV H ATOM 18768 OH2 TIP3 5580 44.896 8.098 46.501 1.00 0.00 SOLV O ATOM 18769 H1 TIP3 5580 45.752 7.694 46.758 1.00 0.00 SOLV H ATOM 18770 H2 TIP3 5580 44.532 7.427 45.884 1.00 0.00 SOLV H ATOM 18771 OH2 TIP3 5581 56.157 4.982 51.754 1.00 0.00 SOLV O ATOM 18772 H1 TIP3 5581 55.387 5.571 51.610 1.00 0.00 SOLV H ATOM 18773 H2 TIP3 5581 56.323 5.098 52.702 1.00 0.00 SOLV H ATOM 18774 OH2 TIP3 5582 42.192 3.262 50.367 1.00 0.00 SOLV O ATOM 18775 H1 TIP3 5582 41.916 3.847 49.635 1.00 0.00 SOLV H ATOM 18776 H2 TIP3 5582 41.468 3.435 51.006 1.00 0.00 SOLV H ATOM 18777 OH2 TIP3 5583 49.309 12.682 43.664 1.00 0.00 SOLV O ATOM 18778 H1 TIP3 5583 49.173 12.845 42.716 1.00 0.00 SOLV H ATOM 18779 H2 TIP3 5583 48.873 13.472 44.052 1.00 0.00 SOLV H ATOM 18780 OH2 TIP3 5584 44.854 10.936 50.332 1.00 0.00 SOLV O ATOM 18781 H1 TIP3 5584 44.326 11.681 50.696 1.00 0.00 SOLV H ATOM 18782 H2 TIP3 5584 45.552 11.412 49.831 1.00 0.00 SOLV H ATOM 18783 OH2 TIP3 5585 52.629 3.803 46.868 1.00 0.00 SOLV O ATOM 18784 H1 TIP3 5585 51.985 3.690 47.593 1.00 0.00 SOLV H ATOM 18785 H2 TIP3 5585 53.220 4.484 47.255 1.00 0.00 SOLV H ATOM 18786 OH2 TIP3 5586 41.788 4.984 48.219 1.00 0.00 SOLV O ATOM 18787 H1 TIP3 5586 42.394 5.539 48.760 1.00 0.00 SOLV H ATOM 18788 H2 TIP3 5586 42.421 4.661 47.537 1.00 0.00 SOLV H ATOM 18789 OH2 TIP3 5587 43.278 12.989 51.416 1.00 0.00 SOLV O ATOM 18790 H1 TIP3 5587 43.244 13.957 51.264 1.00 0.00 SOLV H ATOM 18791 H2 TIP3 5587 42.342 12.839 51.669 1.00 0.00 SOLV H ATOM 18792 OH2 TIP3 5588 39.010 12.638 42.012 1.00 0.00 SOLV O ATOM 18793 H1 TIP3 5588 38.931 13.105 41.159 1.00 0.00 SOLV H ATOM 18794 H2 TIP3 5588 39.361 13.349 42.590 1.00 0.00 SOLV H ATOM 18795 OH2 TIP3 5589 52.828 14.378 48.892 1.00 0.00 SOLV O ATOM 18796 H1 TIP3 5589 51.853 14.377 49.035 1.00 0.00 SOLV H ATOM 18797 H2 TIP3 5589 52.978 15.315 48.654 1.00 0.00 SOLV H ATOM 18798 OH2 TIP3 5590 53.302 2.631 50.697 1.00 0.00 SOLV O ATOM 18799 H1 TIP3 5590 52.518 2.737 50.139 1.00 0.00 SOLV H ATOM 18800 H2 TIP3 5590 54.030 2.861 50.079 1.00 0.00 SOLV H ATOM 18801 OH2 TIP3 5591 45.778 0.996 47.452 1.00 0.00 SOLV O ATOM 18802 H1 TIP3 5591 46.206 0.259 47.933 1.00 0.00 SOLV H ATOM 18803 H2 TIP3 5591 44.938 1.088 47.950 1.00 0.00 SOLV H ATOM 18804 OH2 TIP3 5592 50.878 15.991 45.097 1.00 0.00 SOLV O ATOM 18805 H1 TIP3 5592 51.300 15.120 44.897 1.00 0.00 SOLV H ATOM 18806 H2 TIP3 5592 51.679 16.563 45.065 1.00 0.00 SOLV H ATOM 18807 OH2 TIP3 5593 52.194 13.754 44.286 1.00 0.00 SOLV O ATOM 18808 H1 TIP3 5593 51.770 13.108 43.706 1.00 0.00 SOLV H ATOM 18809 H2 TIP3 5593 52.346 13.220 45.097 1.00 0.00 SOLV H ATOM 18810 OH2 TIP3 5594 53.909 12.326 52.459 1.00 0.00 SOLV O ATOM 18811 H1 TIP3 5594 53.826 11.735 51.679 1.00 0.00 SOLV H ATOM 18812 H2 TIP3 5594 53.990 13.205 52.032 1.00 0.00 SOLV H ATOM 18813 OH2 TIP3 5595 48.364 9.299 42.454 1.00 0.00 SOLV O ATOM 18814 H1 TIP3 5595 47.719 9.996 42.212 1.00 0.00 SOLV H ATOM 18815 H2 TIP3 5595 49.001 9.357 41.720 1.00 0.00 SOLV H ATOM 18816 OH2 TIP3 5596 48.466 7.963 39.054 1.00 0.00 SOLV O ATOM 18817 H1 TIP3 5596 49.053 8.240 39.780 1.00 0.00 SOLV H ATOM 18818 H2 TIP3 5596 49.066 7.359 38.567 1.00 0.00 SOLV H ATOM 18819 OH2 TIP3 5597 55.682 8.834 50.676 1.00 0.00 SOLV O ATOM 18820 H1 TIP3 5597 54.941 9.474 50.594 1.00 0.00 SOLV H ATOM 18821 H2 TIP3 5597 56.266 9.158 49.956 1.00 0.00 SOLV H ATOM 18822 OH2 TIP3 5598 51.920 9.533 43.084 1.00 0.00 SOLV O ATOM 18823 H1 TIP3 5598 51.217 9.724 43.748 1.00 0.00 SOLV H ATOM 18824 H2 TIP3 5598 52.572 9.067 43.648 1.00 0.00 SOLV H ATOM 18825 OH2 TIP3 5599 51.606 7.603 52.482 1.00 0.00 SOLV O ATOM 18826 H1 TIP3 5599 51.559 8.320 53.143 1.00 0.00 SOLV H ATOM 18827 H2 TIP3 5599 50.922 7.893 51.844 1.00 0.00 SOLV H ATOM 18828 OH2 TIP3 5600 43.413 10.100 45.252 1.00 0.00 SOLV O ATOM 18829 H1 TIP3 5600 43.134 9.743 44.381 1.00 0.00 SOLV H ATOM 18830 H2 TIP3 5600 43.972 9.375 45.604 1.00 0.00 SOLV H ATOM 18831 OH2 TIP3 5601 44.851 13.615 47.873 1.00 0.00 SOLV O ATOM 18832 H1 TIP3 5601 44.886 13.562 46.903 1.00 0.00 SOLV H ATOM 18833 H2 TIP3 5601 45.578 13.016 48.142 1.00 0.00 SOLV H ATOM 18834 OH2 TIP3 5602 43.657 8.930 48.851 1.00 0.00 SOLV O ATOM 18835 H1 TIP3 5602 44.175 8.745 48.037 1.00 0.00 SOLV H ATOM 18836 H2 TIP3 5602 44.176 9.643 49.278 1.00 0.00 SOLV H ATOM 18837 OH2 TIP3 5603 50.205 14.483 49.508 1.00 0.00 SOLV O ATOM 18838 H1 TIP3 5603 50.030 15.171 50.175 1.00 0.00 SOLV H ATOM 18839 H2 TIP3 5603 49.757 13.696 49.878 1.00 0.00 SOLV H ATOM 18840 OH2 TIP3 5604 44.923 13.359 53.570 1.00 0.00 SOLV O ATOM 18841 H1 TIP3 5604 44.274 13.973 53.979 1.00 0.00 SOLV H ATOM 18842 H2 TIP3 5604 44.407 13.074 52.786 1.00 0.00 SOLV H ATOM 18843 OH2 TIP3 5605 50.583 8.771 40.789 1.00 0.00 SOLV O ATOM 18844 H1 TIP3 5605 51.114 9.161 41.520 1.00 0.00 SOLV H ATOM 18845 H2 TIP3 5605 51.116 9.067 40.008 1.00 0.00 SOLV H ATOM 18846 OH2 TIP3 5606 41.669 9.254 52.992 1.00 0.00 SOLV O ATOM 18847 H1 TIP3 5606 41.747 10.071 53.526 1.00 0.00 SOLV H ATOM 18848 H2 TIP3 5606 40.699 9.238 52.843 1.00 0.00 SOLV H ATOM 18849 OH2 TIP3 5607 48.407 15.171 44.373 1.00 0.00 SOLV O ATOM 18850 H1 TIP3 5607 49.286 15.495 44.661 1.00 0.00 SOLV H ATOM 18851 H2 TIP3 5607 48.046 15.941 43.917 1.00 0.00 SOLV H ATOM 18852 OH2 TIP3 5608 42.914 15.131 54.269 1.00 0.00 SOLV O ATOM 18853 H1 TIP3 5608 42.847 15.464 53.354 1.00 0.00 SOLV H ATOM 18854 H2 TIP3 5608 41.968 15.002 54.510 1.00 0.00 SOLV H ATOM 18855 OH2 TIP3 5609 54.304 0.713 40.573 1.00 0.00 SOLV O ATOM 18856 H1 TIP3 5609 53.475 1.083 40.925 1.00 0.00 SOLV H ATOM 18857 H2 TIP3 5609 54.762 1.519 40.264 1.00 0.00 SOLV H ATOM 18858 OH2 TIP3 5610 42.495 9.270 42.694 1.00 0.00 SOLV O ATOM 18859 H1 TIP3 5610 41.990 9.922 42.162 1.00 0.00 SOLV H ATOM 18860 H2 TIP3 5610 42.031 8.451 42.486 1.00 0.00 SOLV H ATOM 18861 OH2 TIP3 5611 55.573 14.740 39.204 1.00 0.00 SOLV O ATOM 18862 H1 TIP3 5611 55.822 15.685 39.290 1.00 0.00 SOLV H ATOM 18863 H2 TIP3 5611 56.455 14.310 39.214 1.00 0.00 SOLV H ATOM 18864 OH2 TIP3 5612 38.424 11.642 51.689 1.00 0.00 SOLV O ATOM 18865 H1 TIP3 5612 37.908 11.735 50.860 1.00 0.00 SOLV H ATOM 18866 H2 TIP3 5612 38.613 10.684 51.719 1.00 0.00 SOLV H ATOM 18867 OH2 TIP3 5613 38.341 14.493 48.278 1.00 0.00 SOLV O ATOM 18868 H1 TIP3 5613 39.269 14.278 48.449 1.00 0.00 SOLV H ATOM 18869 H2 TIP3 5613 38.157 15.126 48.990 1.00 0.00 SOLV H ATOM 18870 OH2 TIP3 5614 56.506 15.195 54.365 1.00 0.00 SOLV O ATOM 18871 H1 TIP3 5614 56.337 14.236 54.294 1.00 0.00 SOLV H ATOM 18872 H2 TIP3 5614 55.617 15.503 54.656 1.00 0.00 SOLV H ATOM 18873 OH2 TIP3 5615 47.324 14.496 52.967 1.00 0.00 SOLV O ATOM 18874 H1 TIP3 5615 47.299 15.348 53.457 1.00 0.00 SOLV H ATOM 18875 H2 TIP3 5615 46.444 14.126 53.205 1.00 0.00 SOLV H ATOM 18876 OH2 TIP3 5616 48.172 18.188 42.800 1.00 0.00 SOLV O ATOM 18877 H1 TIP3 5616 47.820 18.279 41.899 1.00 0.00 SOLV H ATOM 18878 H2 TIP3 5616 47.840 18.998 43.231 1.00 0.00 SOLV H ATOM 18879 OH2 TIP3 5617 41.501 17.070 44.796 1.00 0.00 SOLV O ATOM 18880 H1 TIP3 5617 41.676 16.739 45.704 1.00 0.00 SOLV H ATOM 18881 H2 TIP3 5617 40.996 16.331 44.412 1.00 0.00 SOLV H ATOM 18882 OH2 TIP3 5618 50.862 17.609 39.634 1.00 0.00 SOLV O ATOM 18883 H1 TIP3 5618 51.405 16.870 39.279 1.00 0.00 SOLV H ATOM 18884 H2 TIP3 5618 50.969 17.478 40.601 1.00 0.00 SOLV H ATOM 18885 OH2 TIP3 5619 50.758 17.469 42.405 1.00 0.00 SOLV O ATOM 18886 H1 TIP3 5619 49.809 17.653 42.587 1.00 0.00 SOLV H ATOM 18887 H2 TIP3 5619 50.974 16.873 43.141 1.00 0.00 SOLV H ATOM 18888 OH2 TIP3 5620 53.487 6.430 54.611 1.00 0.00 SOLV O ATOM 18889 H1 TIP3 5620 52.823 6.733 53.974 1.00 0.00 SOLV H ATOM 18890 H2 TIP3 5620 53.586 5.489 54.356 1.00 0.00 SOLV H ATOM 18891 OH2 TIP3 5621 40.694 13.043 52.359 1.00 0.00 SOLV O ATOM 18892 H1 TIP3 5621 40.893 12.651 53.231 1.00 0.00 SOLV H ATOM 18893 H2 TIP3 5621 39.868 12.573 52.117 1.00 0.00 SOLV H ATOM 18894 OH2 TIP3 5622 43.385 1.115 48.982 1.00 0.00 SOLV O ATOM 18895 H1 TIP3 5622 42.611 1.067 48.383 1.00 0.00 SOLV H ATOM 18896 H2 TIP3 5622 43.072 1.841 49.561 1.00 0.00 SOLV H ATOM 18897 OH2 TIP3 5623 48.139 1.695 52.300 1.00 0.00 SOLV O ATOM 18898 H1 TIP3 5623 48.391 0.768 52.195 1.00 0.00 SOLV H ATOM 18899 H2 TIP3 5623 47.163 1.615 52.249 1.00 0.00 SOLV H ATOM 18900 OH2 TIP3 5624 51.206 4.909 52.824 1.00 0.00 SOLV O ATOM 18901 H1 TIP3 5624 50.512 4.834 53.521 1.00 0.00 SOLV H ATOM 18902 H2 TIP3 5624 51.231 5.872 52.645 1.00 0.00 SOLV H ATOM 18903 OH2 TIP3 5625 52.111 9.423 38.674 1.00 0.00 SOLV O ATOM 18904 H1 TIP3 5625 51.940 9.536 37.719 1.00 0.00 SOLV H ATOM 18905 H2 TIP3 5625 53.054 9.677 38.726 1.00 0.00 SOLV H ATOM 18906 OH2 TIP3 5626 47.727 3.505 39.458 1.00 0.00 SOLV O ATOM 18907 H1 TIP3 5626 47.094 3.297 40.175 1.00 0.00 SOLV H ATOM 18908 H2 TIP3 5626 47.371 2.934 38.744 1.00 0.00 SOLV H ATOM 18909 OH2 TIP3 5627 43.455 6.419 49.883 1.00 0.00 SOLV O ATOM 18910 H1 TIP3 5627 42.750 6.518 50.558 1.00 0.00 SOLV H ATOM 18911 H2 TIP3 5627 43.528 7.342 49.549 1.00 0.00 SOLV H ATOM 18912 OH2 TIP3 5628 43.504 6.484 44.739 1.00 0.00 SOLV O ATOM 18913 H1 TIP3 5628 42.533 6.375 44.652 1.00 0.00 SOLV H ATOM 18914 H2 TIP3 5628 43.781 6.233 43.828 1.00 0.00 SOLV H ATOM 18915 OH2 TIP3 5629 49.003 6.835 43.560 1.00 0.00 SOLV O ATOM 18916 H1 TIP3 5629 48.766 7.712 43.187 1.00 0.00 SOLV H ATOM 18917 H2 TIP3 5629 49.677 6.528 42.919 1.00 0.00 SOLV H ATOM 18918 OH2 TIP3 5630 48.102 7.022 54.769 1.00 0.00 SOLV O ATOM 18919 H1 TIP3 5630 47.646 6.240 55.142 1.00 0.00 SOLV H ATOM 18920 H2 TIP3 5630 48.962 6.957 55.228 1.00 0.00 SOLV H ATOM 18921 OH2 TIP3 5631 49.897 6.304 46.138 1.00 0.00 SOLV O ATOM 18922 H1 TIP3 5631 49.483 6.814 45.410 1.00 0.00 SOLV H ATOM 18923 H2 TIP3 5631 50.280 5.582 45.599 1.00 0.00 SOLV H ATOM 18924 OH2 TIP3 5632 41.214 6.599 51.447 1.00 0.00 SOLV O ATOM 18925 H1 TIP3 5632 41.276 7.071 52.290 1.00 0.00 SOLV H ATOM 18926 H2 TIP3 5632 40.795 5.752 51.719 1.00 0.00 SOLV H ATOM 18927 OH2 TIP3 5633 44.489 3.820 38.150 1.00 0.00 SOLV O ATOM 18928 H1 TIP3 5633 44.110 3.737 39.049 1.00 0.00 SOLV H ATOM 18929 H2 TIP3 5633 43.951 4.568 37.809 1.00 0.00 SOLV H ATOM 18930 OH2 TIP3 5634 37.870 3.668 45.463 1.00 0.00 SOLV O ATOM 18931 H1 TIP3 5634 38.416 3.727 46.277 1.00 0.00 SOLV H ATOM 18932 H2 TIP3 5634 38.508 3.852 44.767 1.00 0.00 SOLV H ATOM 18933 OH2 TIP3 5635 38.745 4.416 40.958 1.00 0.00 SOLV O ATOM 18934 H1 TIP3 5635 39.402 4.803 40.338 1.00 0.00 SOLV H ATOM 18935 H2 TIP3 5635 38.170 5.197 41.072 1.00 0.00 SOLV H ATOM 18936 OH2 TIP3 5636 49.239 7.848 50.712 1.00 0.00 SOLV O ATOM 18937 H1 TIP3 5636 49.612 7.219 50.049 1.00 0.00 SOLV H ATOM 18938 H2 TIP3 5636 48.604 7.259 51.173 1.00 0.00 SOLV H ATOM 18939 OH2 TIP3 5637 46.372 4.250 45.770 1.00 0.00 SOLV O ATOM 18940 H1 TIP3 5637 45.453 4.132 46.080 1.00 0.00 SOLV H ATOM 18941 H2 TIP3 5637 46.880 3.761 46.447 1.00 0.00 SOLV H ATOM 18942 OH2 TIP3 5638 40.893 5.660 44.489 1.00 0.00 SOLV O ATOM 18943 H1 TIP3 5638 40.109 5.969 43.973 1.00 0.00 SOLV H ATOM 18944 H2 TIP3 5638 41.112 4.805 44.073 1.00 0.00 SOLV H ATOM 18945 OH2 TIP3 5639 44.150 5.642 42.238 1.00 0.00 SOLV O ATOM 18946 H1 TIP3 5639 45.126 5.629 42.283 1.00 0.00 SOLV H ATOM 18947 H2 TIP3 5639 43.977 6.097 41.379 1.00 0.00 SOLV H ATOM 18948 OH2 TIP3 5640 50.467 3.357 48.751 1.00 0.00 SOLV O ATOM 18949 H1 TIP3 5640 50.038 3.433 49.634 1.00 0.00 SOLV H ATOM 18950 H2 TIP3 5640 49.708 3.031 48.228 1.00 0.00 SOLV H ATOM 18951 OH2 TIP3 5641 43.577 6.716 39.822 1.00 0.00 SOLV O ATOM 18952 H1 TIP3 5641 43.039 6.457 39.050 1.00 0.00 SOLV H ATOM 18953 H2 TIP3 5641 44.329 7.153 39.368 1.00 0.00 SOLV H ATOM 18954 OH2 TIP3 5642 53.856 18.861 55.424 1.00 0.00 SOLV O ATOM 18955 H1 TIP3 5642 54.115 19.296 54.593 1.00 0.00 SOLV H ATOM 18956 H2 TIP3 5642 54.613 19.083 56.004 1.00 0.00 SOLV H ATOM 18957 OH2 TIP3 5643 41.510 11.530 54.712 1.00 0.00 SOLV O ATOM 18958 H1 TIP3 5643 42.163 11.562 55.436 1.00 0.00 SOLV H ATOM 18959 H2 TIP3 5643 40.678 11.502 55.225 1.00 0.00 SOLV H ATOM 18960 OH2 TIP3 5644 47.181 6.902 47.597 1.00 0.00 SOLV O ATOM 18961 H1 TIP3 5644 47.844 6.381 47.121 1.00 0.00 SOLV H ATOM 18962 H2 TIP3 5644 46.849 6.261 48.255 1.00 0.00 SOLV H ATOM 18963 OH2 TIP3 5645 42.209 3.078 44.134 1.00 0.00 SOLV O ATOM 18964 H1 TIP3 5645 41.715 2.275 44.397 1.00 0.00 SOLV H ATOM 18965 H2 TIP3 5645 42.977 2.687 43.692 1.00 0.00 SOLV H ATOM 18966 OH2 TIP3 5646 46.022 5.439 49.955 1.00 0.00 SOLV O ATOM 18967 H1 TIP3 5646 45.149 5.884 49.969 1.00 0.00 SOLV H ATOM 18968 H2 TIP3 5646 46.487 5.845 50.714 1.00 0.00 SOLV H ATOM 18969 OH2 TIP3 5647 46.503 11.277 41.722 1.00 0.00 SOLV O ATOM 18970 H1 TIP3 5647 45.759 10.834 41.259 1.00 0.00 SOLV H ATOM 18971 H2 TIP3 5647 46.079 11.492 42.589 1.00 0.00 SOLV H ATOM 18972 OH2 TIP3 5648 53.671 10.679 50.242 1.00 0.00 SOLV O ATOM 18973 H1 TIP3 5648 54.191 11.286 49.677 1.00 0.00 SOLV H ATOM 18974 H2 TIP3 5648 52.891 10.485 49.674 1.00 0.00 SOLV H ATOM 18975 OH2 TIP3 5649 50.291 4.092 39.908 1.00 0.00 SOLV O ATOM 18976 H1 TIP3 5649 49.317 4.018 39.751 1.00 0.00 SOLV H ATOM 18977 H2 TIP3 5649 50.370 4.925 40.414 1.00 0.00 SOLV H ATOM 18978 OH2 TIP3 5650 47.988 11.703 52.840 1.00 0.00 SOLV O ATOM 18979 H1 TIP3 5650 48.145 11.381 53.736 1.00 0.00 SOLV H ATOM 18980 H2 TIP3 5650 47.748 12.635 52.986 1.00 0.00 SOLV H ATOM 18981 OH2 TIP3 5651 50.938 6.144 41.698 1.00 0.00 SOLV O ATOM 18982 H1 TIP3 5651 51.851 6.021 42.017 1.00 0.00 SOLV H ATOM 18983 H2 TIP3 5651 50.966 7.047 41.321 1.00 0.00 SOLV H ATOM 18984 OH2 TIP3 5652 41.834 10.872 47.392 1.00 0.00 SOLV O ATOM 18985 H1 TIP3 5652 42.389 10.668 46.610 1.00 0.00 SOLV H ATOM 18986 H2 TIP3 5652 42.038 10.125 47.975 1.00 0.00 SOLV H ATOM 18987 OH2 TIP3 5653 48.582 12.802 40.843 1.00 0.00 SOLV O ATOM 18988 H1 TIP3 5653 48.207 13.711 40.914 1.00 0.00 SOLV H ATOM 18989 H2 TIP3 5653 47.817 12.255 41.129 1.00 0.00 SOLV H ATOM 18990 OH2 TIP3 5654 38.915 9.029 52.719 1.00 0.00 SOLV O ATOM 18991 H1 TIP3 5654 38.659 8.676 53.594 1.00 0.00 SOLV H ATOM 18992 H2 TIP3 5654 38.210 8.647 52.165 1.00 0.00 SOLV H ATOM 18993 OH2 TIP3 5655 45.940 8.819 54.937 1.00 0.00 SOLV O ATOM 18994 H1 TIP3 5655 45.333 8.454 54.271 1.00 0.00 SOLV H ATOM 18995 H2 TIP3 5655 46.764 8.329 54.732 1.00 0.00 SOLV H ATOM 18996 OH2 TIP3 5656 50.142 14.113 52.869 1.00 0.00 SOLV O ATOM 18997 H1 TIP3 5656 49.184 14.260 52.765 1.00 0.00 SOLV H ATOM 18998 H2 TIP3 5656 50.270 14.414 53.794 1.00 0.00 SOLV H ATOM 18999 OH2 TIP3 5657 55.738 6.564 41.306 1.00 0.00 SOLV O ATOM 19000 H1 TIP3 5657 55.296 6.366 40.445 1.00 0.00 SOLV H ATOM 19001 H2 TIP3 5657 55.932 7.512 41.126 1.00 0.00 SOLV H ATOM 19002 OH2 TIP3 5658 56.138 12.328 54.041 1.00 0.00 SOLV O ATOM 19003 H1 TIP3 5658 55.219 12.434 53.710 1.00 0.00 SOLV H ATOM 19004 H2 TIP3 5658 56.597 12.136 53.192 1.00 0.00 SOLV H ATOM 19005 OH2 TIP3 5659 54.357 15.111 41.758 1.00 0.00 SOLV O ATOM 19006 H1 TIP3 5659 53.767 14.418 42.087 1.00 0.00 SOLV H ATOM 19007 H2 TIP3 5659 54.602 14.788 40.873 1.00 0.00 SOLV H ATOM 19008 OH2 TIP3 5660 51.512 10.008 48.550 1.00 0.00 SOLV O ATOM 19009 H1 TIP3 5660 50.545 9.917 48.436 1.00 0.00 SOLV H ATOM 19010 H2 TIP3 5660 51.823 9.238 48.034 1.00 0.00 SOLV H ATOM 19011 OH2 TIP3 5661 44.219 14.318 44.912 1.00 0.00 SOLV O ATOM 19012 H1 TIP3 5661 44.402 15.209 44.553 1.00 0.00 SOLV H ATOM 19013 H2 TIP3 5661 43.268 14.248 44.772 1.00 0.00 SOLV H ATOM 19014 OH2 TIP3 5662 39.941 8.907 39.510 1.00 0.00 SOLV O ATOM 19015 H1 TIP3 5662 40.391 9.622 40.009 1.00 0.00 SOLV H ATOM 19016 H2 TIP3 5662 39.027 8.991 39.863 1.00 0.00 SOLV H ATOM 19017 OH2 TIP3 5663 45.184 11.878 43.994 1.00 0.00 SOLV O ATOM 19018 H1 TIP3 5663 44.972 12.762 44.352 1.00 0.00 SOLV H ATOM 19019 H2 TIP3 5663 44.595 11.306 44.520 1.00 0.00 SOLV H ATOM 19020 OH2 TIP3 5664 46.005 16.134 50.705 1.00 0.00 SOLV O ATOM 19021 H1 TIP3 5664 46.647 16.845 50.489 1.00 0.00 SOLV H ATOM 19022 H2 TIP3 5664 46.559 15.529 51.222 1.00 0.00 SOLV H ATOM 19023 OH2 TIP3 5665 44.108 17.042 43.844 1.00 0.00 SOLV O ATOM 19024 H1 TIP3 5665 43.180 17.209 44.104 1.00 0.00 SOLV H ATOM 19025 H2 TIP3 5665 44.540 17.866 44.166 1.00 0.00 SOLV H ATOM 19026 OH2 TIP3 5666 49.169 12.024 50.401 1.00 0.00 SOLV O ATOM 19027 H1 TIP3 5666 48.788 11.837 51.289 1.00 0.00 SOLV H ATOM 19028 H2 TIP3 5666 49.866 11.356 50.350 1.00 0.00 SOLV H ATOM 19029 OH2 TIP3 5667 51.972 13.223 39.590 1.00 0.00 SOLV O ATOM 19030 H1 TIP3 5667 52.224 12.713 40.396 1.00 0.00 SOLV H ATOM 19031 H2 TIP3 5667 51.037 12.978 39.500 1.00 0.00 SOLV H ATOM 19032 OH2 TIP3 5668 52.177 16.481 52.667 1.00 0.00 SOLV O ATOM 19033 H1 TIP3 5668 51.335 16.120 52.324 1.00 0.00 SOLV H ATOM 19034 H2 TIP3 5668 52.288 17.270 52.093 1.00 0.00 SOLV H ATOM 19035 OH2 TIP3 5669 56.256 17.393 39.707 1.00 0.00 SOLV O ATOM 19036 H1 TIP3 5669 56.808 18.164 39.500 1.00 0.00 SOLV H ATOM 19037 H2 TIP3 5669 55.437 17.853 39.988 1.00 0.00 SOLV H ATOM 19038 OH2 TIP3 5670 40.150 4.067 52.062 1.00 0.00 SOLV O ATOM 19039 H1 TIP3 5670 39.214 4.139 51.785 1.00 0.00 SOLV H ATOM 19040 H2 TIP3 5670 40.086 3.249 52.586 1.00 0.00 SOLV H ATOM 19041 OH2 TIP3 5671 52.842 11.785 41.757 1.00 0.00 SOLV O ATOM 19042 H1 TIP3 5671 52.440 11.038 42.244 1.00 0.00 SOLV H ATOM 19043 H2 TIP3 5671 53.792 11.574 41.879 1.00 0.00 SOLV H ATOM 19044 OH2 TIP3 5672 39.978 15.625 50.526 1.00 0.00 SOLV O ATOM 19045 H1 TIP3 5672 40.299 14.807 50.946 1.00 0.00 SOLV H ATOM 19046 H2 TIP3 5672 40.152 16.279 51.217 1.00 0.00 SOLV H ATOM 19047 OH2 TIP3 5673 45.788 14.180 38.023 1.00 0.00 SOLV O ATOM 19048 H1 TIP3 5673 45.790 13.322 37.556 1.00 0.00 SOLV H ATOM 19049 H2 TIP3 5673 45.300 13.954 38.840 1.00 0.00 SOLV H ATOM 19050 OH2 TIP3 5674 44.501 13.853 40.452 1.00 0.00 SOLV O ATOM 19051 H1 TIP3 5674 45.051 13.337 41.057 1.00 0.00 SOLV H ATOM 19052 H2 TIP3 5674 44.643 14.768 40.785 1.00 0.00 SOLV H ATOM 19053 OH2 TIP3 5675 40.980 10.952 41.062 1.00 0.00 SOLV O ATOM 19054 H1 TIP3 5675 40.249 11.425 41.513 1.00 0.00 SOLV H ATOM 19055 H2 TIP3 5675 41.378 11.696 40.567 1.00 0.00 SOLV H ATOM 19056 OH2 TIP3 5676 49.329 3.862 51.182 1.00 0.00 SOLV O ATOM 19057 H1 TIP3 5676 50.079 4.086 51.771 1.00 0.00 SOLV H ATOM 19058 H2 TIP3 5676 48.913 3.102 51.652 1.00 0.00 SOLV H ATOM 19059 OH2 TIP3 5677 49.833 2.983 42.671 1.00 0.00 SOLV O ATOM 19060 H1 TIP3 5677 49.922 3.385 41.789 1.00 0.00 SOLV H ATOM 19061 H2 TIP3 5677 50.244 3.663 43.247 1.00 0.00 SOLV H ATOM 19062 OH2 TIP3 5678 47.538 15.286 41.046 1.00 0.00 SOLV O ATOM 19063 H1 TIP3 5678 46.636 15.595 41.264 1.00 0.00 SOLV H ATOM 19064 H2 TIP3 5678 47.905 16.093 40.656 1.00 0.00 SOLV H ATOM 19065 OH2 TIP3 5679 46.786 5.200 43.205 1.00 0.00 SOLV O ATOM 19066 H1 TIP3 5679 47.544 5.806 43.344 1.00 0.00 SOLV H ATOM 19067 H2 TIP3 5679 46.599 4.932 44.131 1.00 0.00 SOLV H ATOM 19068 OH2 TIP3 5680 47.689 6.111 52.125 1.00 0.00 SOLV O ATOM 19069 H1 TIP3 5680 47.850 6.352 53.060 1.00 0.00 SOLV H ATOM 19070 H2 TIP3 5680 48.123 5.243 52.042 1.00 0.00 SOLV H ATOM 19071 OH2 TIP3 5681 47.524 2.240 43.929 1.00 0.00 SOLV O ATOM 19072 H1 TIP3 5681 47.647 2.897 44.631 1.00 0.00 SOLV H ATOM 19073 H2 TIP3 5681 48.363 2.344 43.430 1.00 0.00 SOLV H ATOM 19074 OH2 TIP3 5682 45.063 16.365 41.389 1.00 0.00 SOLV O ATOM 19075 H1 TIP3 5682 45.040 17.238 40.939 1.00 0.00 SOLV H ATOM 19076 H2 TIP3 5682 44.701 16.605 42.272 1.00 0.00 SOLV H ATOM 19077 OH2 TIP3 5683 43.558 3.380 40.728 1.00 0.00 SOLV O ATOM 19078 H1 TIP3 5683 43.481 4.158 41.316 1.00 0.00 SOLV H ATOM 19079 H2 TIP3 5683 44.449 3.070 41.001 1.00 0.00 SOLV H ATOM 19080 OH2 TIP3 5684 53.679 3.960 53.300 1.00 0.00 SOLV O ATOM 19081 H1 TIP3 5684 52.725 4.145 53.155 1.00 0.00 SOLV H ATOM 19082 H2 TIP3 5684 53.903 3.632 52.414 1.00 0.00 SOLV H ATOM 19083 OH2 TIP3 5685 52.276 7.673 47.114 1.00 0.00 SOLV O ATOM 19084 H1 TIP3 5685 51.417 7.245 46.946 1.00 0.00 SOLV H ATOM 19085 H2 TIP3 5685 52.738 6.999 47.656 1.00 0.00 SOLV H ATOM 19086 OH2 TIP3 5686 41.829 13.221 39.643 1.00 0.00 SOLV O ATOM 19087 H1 TIP3 5686 42.615 13.666 40.018 1.00 0.00 SOLV H ATOM 19088 H2 TIP3 5686 42.283 12.680 38.959 1.00 0.00 SOLV H ATOM 19089 OH2 TIP3 5687 39.803 6.181 39.148 1.00 0.00 SOLV O ATOM 19090 H1 TIP3 5687 40.009 7.112 39.365 1.00 0.00 SOLV H ATOM 19091 H2 TIP3 5687 39.418 6.268 38.269 1.00 0.00 SOLV H ATOM 19092 OH2 TIP3 5688 53.502 17.108 48.823 1.00 0.00 SOLV O ATOM 19093 H1 TIP3 5688 53.360 17.786 48.124 1.00 0.00 SOLV H ATOM 19094 H2 TIP3 5688 54.483 17.136 48.898 1.00 0.00 SOLV H ATOM 19095 OH2 TIP3 5689 40.986 0.982 47.522 1.00 0.00 SOLV O ATOM 19096 H1 TIP3 5689 40.876 1.051 46.555 1.00 0.00 SOLV H ATOM 19097 H2 TIP3 5689 41.104 0.007 47.603 1.00 0.00 SOLV H ATOM 19098 OH2 TIP3 5690 39.746 14.967 43.419 1.00 0.00 SOLV O ATOM 19099 H1 TIP3 5690 39.097 15.201 44.095 1.00 0.00 SOLV H ATOM 19100 H2 TIP3 5690 39.593 15.659 42.730 1.00 0.00 SOLV H ATOM 19101 OH2 TIP3 5691 39.175 17.857 55.383 1.00 0.00 SOLV O ATOM 19102 H1 TIP3 5691 39.890 17.624 56.021 1.00 0.00 SOLV H ATOM 19103 H2 TIP3 5691 38.911 16.977 55.070 1.00 0.00 SOLV H ATOM 19104 OH2 TIP3 5692 43.466 16.307 56.698 1.00 0.00 SOLV O ATOM 19105 H1 TIP3 5692 44.357 15.998 56.906 1.00 0.00 SOLV H ATOM 19106 H2 TIP3 5692 43.321 15.883 55.827 1.00 0.00 SOLV H ATOM 19107 OH2 TIP3 5693 47.891 15.942 37.961 1.00 0.00 SOLV O ATOM 19108 H1 TIP3 5693 47.169 15.274 38.035 1.00 0.00 SOLV H ATOM 19109 H2 TIP3 5693 48.637 15.378 37.683 1.00 0.00 SOLV H ATOM 19110 OH2 TIP3 5694 50.204 14.839 55.512 1.00 0.00 SOLV O ATOM 19111 H1 TIP3 5694 49.900 14.035 55.996 1.00 0.00 SOLV H ATOM 19112 H2 TIP3 5694 50.937 15.147 56.082 1.00 0.00 SOLV H ATOM 19113 OH2 TIP3 5695 52.287 15.626 38.340 1.00 0.00 SOLV O ATOM 19114 H1 TIP3 5695 52.314 14.783 38.845 1.00 0.00 SOLV H ATOM 19115 H2 TIP3 5695 53.065 15.549 37.758 1.00 0.00 SOLV H ATOM 19116 OH2 TIP3 5696 39.046 11.503 56.042 1.00 0.00 SOLV O ATOM 19117 H1 TIP3 5696 39.038 10.530 55.933 1.00 0.00 SOLV H ATOM 19118 H2 TIP3 5696 38.339 11.778 55.418 1.00 0.00 SOLV H ATOM 19119 OH2 TIP3 5697 43.295 11.472 38.220 1.00 0.00 SOLV O ATOM 19120 H1 TIP3 5697 43.661 10.984 38.984 1.00 0.00 SOLV H ATOM 19121 H2 TIP3 5697 44.104 11.573 37.671 1.00 0.00 SOLV H ATOM 19122 OH2 TIP3 5698 45.547 11.608 55.575 1.00 0.00 SOLV O ATOM 19123 H1 TIP3 5698 45.414 12.092 54.731 1.00 0.00 SOLV H ATOM 19124 H2 TIP3 5698 45.763 10.703 55.269 1.00 0.00 SOLV H ATOM 19125 OH2 TIP3 5699 49.147 12.865 38.149 1.00 0.00 SOLV O ATOM 19126 H1 TIP3 5699 48.824 12.779 39.069 1.00 0.00 SOLV H ATOM 19127 H2 TIP3 5699 49.006 11.948 37.820 1.00 0.00 SOLV H ATOM 19128 OH2 TIP3 5700 51.320 11.572 53.103 1.00 0.00 SOLV O ATOM 19129 H1 TIP3 5700 52.236 11.873 52.949 1.00 0.00 SOLV H ATOM 19130 H2 TIP3 5700 50.827 12.398 52.923 1.00 0.00 SOLV H ATOM 19131 OH2 TIP3 5701 39.855 8.826 55.655 1.00 0.00 SOLV O ATOM 19132 H1 TIP3 5701 40.590 8.278 55.359 1.00 0.00 SOLV H ATOM 19133 H2 TIP3 5701 39.983 8.834 56.627 1.00 0.00 SOLV H ATOM 19134 OH2 TIP3 5702 44.466 9.923 40.430 1.00 0.00 SOLV O ATOM 19135 H1 TIP3 5702 43.933 9.427 41.074 1.00 0.00 SOLV H ATOM 19136 H2 TIP3 5702 44.884 9.204 39.908 1.00 0.00 SOLV H ATOM 19137 OH2 TIP3 5703 43.874 7.611 52.990 1.00 0.00 SOLV O ATOM 19138 H1 TIP3 5703 43.150 8.268 52.892 1.00 0.00 SOLV H ATOM 19139 H2 TIP3 5703 44.573 8.001 52.412 1.00 0.00 SOLV H ATOM 19140 OH2 TIP3 5704 45.697 8.069 38.758 1.00 0.00 SOLV O ATOM 19141 H1 TIP3 5704 45.713 8.380 37.827 1.00 0.00 SOLV H ATOM 19142 H2 TIP3 5704 46.651 7.893 38.902 1.00 0.00 SOLV H ATOM 19143 OH2 TIP3 5705 48.954 10.211 56.265 1.00 0.00 SOLV O ATOM 19144 H1 TIP3 5705 49.733 9.781 55.888 1.00 0.00 SOLV H ATOM 19145 H2 TIP3 5705 48.568 9.495 56.801 1.00 0.00 SOLV H ATOM 19146 OH2 TIP3 5706 54.730 10.177 38.357 1.00 0.00 SOLV O ATOM 19147 H1 TIP3 5706 54.737 9.981 37.397 1.00 0.00 SOLV H ATOM 19148 H2 TIP3 5706 54.585 11.151 38.311 1.00 0.00 SOLV H ATOM 19149 OH2 TIP3 5707 44.487 5.137 53.841 1.00 0.00 SOLV O ATOM 19150 H1 TIP3 5707 44.502 4.545 53.058 1.00 0.00 SOLV H ATOM 19151 H2 TIP3 5707 44.278 6.005 53.420 1.00 0.00 SOLV H ATOM 19152 OH2 TIP3 5708 44.629 3.531 51.583 1.00 0.00 SOLV O ATOM 19153 H1 TIP3 5708 45.167 4.015 50.925 1.00 0.00 SOLV H ATOM 19154 H2 TIP3 5708 43.754 3.500 51.135 1.00 0.00 SOLV H ATOM 19155 OH2 TIP3 5709 45.860 8.763 51.654 1.00 0.00 SOLV O ATOM 19156 H1 TIP3 5709 46.818 8.851 51.583 1.00 0.00 SOLV H ATOM 19157 H2 TIP3 5709 45.542 9.574 51.204 1.00 0.00 SOLV H ATOM 19158 OH2 TIP3 5710 50.395 6.646 56.449 1.00 0.00 SOLV O ATOM 19159 H1 TIP3 5710 50.720 5.734 56.469 1.00 0.00 SOLV H ATOM 19160 H2 TIP3 5710 51.220 7.149 56.381 1.00 0.00 SOLV H ATOM 19161 OH2 TIP3 5711 51.823 9.459 54.711 1.00 0.00 SOLV O ATOM 19162 H1 TIP3 5711 51.519 10.240 54.188 1.00 0.00 SOLV H ATOM 19163 H2 TIP3 5711 52.797 9.569 54.625 1.00 0.00 SOLV H ATOM 19164 OH2 TIP3 5712 42.862 5.779 56.082 1.00 0.00 SOLV O ATOM 19165 H1 TIP3 5712 42.026 5.291 55.914 1.00 0.00 SOLV H ATOM 19166 H2 TIP3 5712 43.293 5.730 55.206 1.00 0.00 SOLV H ATOM 19167 OH2 TIP3 5713 45.506 0.974 52.169 1.00 0.00 SOLV O ATOM 19168 H1 TIP3 5713 45.103 1.850 51.980 1.00 0.00 SOLV H ATOM 19169 H2 TIP3 5713 44.827 0.364 51.857 1.00 0.00 SOLV H ATOM 19170 OH2 TIP3 5714 46.676 4.738 55.443 1.00 0.00 SOLV O ATOM 19171 H1 TIP3 5714 46.148 4.560 56.244 1.00 0.00 SOLV H ATOM 19172 H2 TIP3 5714 45.945 4.866 54.796 1.00 0.00 SOLV H ATOM 19173 OH2 TIP3 5715 49.322 4.310 54.639 1.00 0.00 SOLV O ATOM 19174 H1 TIP3 5715 48.404 4.287 54.974 1.00 0.00 SOLV H ATOM 19175 H2 TIP3 5715 49.772 3.652 55.206 1.00 0.00 SOLV H ATOM 19176 OH2 TIP3 5716 50.829 2.789 56.432 1.00 0.00 SOLV O ATOM 19177 H1 TIP3 5716 50.857 1.859 56.678 1.00 0.00 SOLV H ATOM 19178 H2 TIP3 5716 50.689 3.227 57.301 1.00 0.00 SOLV H ATOM 19179 OH2 TIP3 5717 40.717 4.139 55.728 1.00 0.00 SOLV O ATOM 19180 H1 TIP3 5717 40.690 3.342 55.149 1.00 0.00 SOLV H ATOM 19181 H2 TIP3 5717 40.582 3.745 56.609 1.00 0.00 SOLV H ATOM 19182 OH2 TIP3 5718 45.279 1.521 56.250 1.00 0.00 SOLV O ATOM 19183 H1 TIP3 5718 45.896 1.695 55.531 1.00 0.00 SOLV H ATOM 19184 H2 TIP3 5718 45.041 2.429 56.544 1.00 0.00 SOLV H ATOM 19185 OH2 TIP3 5719 45.469 18.751 40.030 1.00 0.00 SOLV O ATOM 19186 H1 TIP3 5719 46.416 18.586 39.855 1.00 0.00 SOLV H ATOM 19187 H2 TIP3 5719 45.101 18.846 39.141 1.00 0.00 SOLV H ATOM 19188 OH2 TIP3 5720 39.112 13.386 39.230 1.00 0.00 SOLV O ATOM 19189 H1 TIP3 5720 40.086 13.437 39.355 1.00 0.00 SOLV H ATOM 19190 H2 TIP3 5720 39.049 12.636 38.598 1.00 0.00 SOLV H ATOM 19191 OH2 TIP3 5721 38.022 18.627 44.483 1.00 0.00 SOLV O ATOM 19192 H1 TIP3 5721 37.436 18.255 43.789 1.00 0.00 SOLV H ATOM 19193 H2 TIP3 5721 38.190 17.823 45.019 1.00 0.00 SOLV H ATOM 19194 OH2 TIP3 5722 38.559 16.451 46.142 1.00 0.00 SOLV O ATOM 19195 H1 TIP3 5722 38.162 15.720 46.650 1.00 0.00 SOLV H ATOM 19196 H2 TIP3 5722 39.042 16.903 46.857 1.00 0.00 SOLV H ATOM 19197 OH2 TIP3 5723 56.172 17.414 49.343 1.00 0.00 SOLV O ATOM 19198 H1 TIP3 5723 56.196 17.483 50.315 1.00 0.00 SOLV H ATOM 19199 H2 TIP3 5723 57.036 17.769 49.084 1.00 0.00 SOLV H ATOM 19200 OH2 TIP3 5724 55.656 17.031 52.109 1.00 0.00 SOLV O ATOM 19201 H1 TIP3 5724 55.090 16.313 51.751 1.00 0.00 SOLV H ATOM 19202 H2 TIP3 5724 56.150 16.526 52.776 1.00 0.00 SOLV H ATOM 19203 OH2 TIP3 5725 54.114 12.760 56.854 1.00 0.00 SOLV O ATOM 19204 H1 TIP3 5725 53.277 12.883 57.345 1.00 0.00 SOLV H ATOM 19205 H2 TIP3 5725 54.645 13.510 57.193 1.00 0.00 SOLV H ATOM 19206 OH2 TIP3 5726 55.501 11.065 42.205 1.00 0.00 SOLV O ATOM 19207 H1 TIP3 5726 56.278 11.658 42.229 1.00 0.00 SOLV H ATOM 19208 H2 TIP3 5726 55.681 10.475 42.970 1.00 0.00 SOLV H ATOM 19209 OH2 TIP3 5727 55.984 9.129 44.124 1.00 0.00 SOLV O ATOM 19210 H1 TIP3 5727 55.110 8.790 44.420 1.00 0.00 SOLV H ATOM 19211 H2 TIP3 5727 56.472 9.225 44.969 1.00 0.00 SOLV H ATOM 19212 OH2 TIP3 5728 55.903 12.061 49.280 1.00 0.00 SOLV O ATOM 19213 H1 TIP3 5728 56.414 11.348 48.842 1.00 0.00 SOLV H ATOM 19214 H2 TIP3 5728 56.169 12.850 48.770 1.00 0.00 SOLV H ATOM 19215 OH2 TIP3 5729 54.045 14.879 51.356 1.00 0.00 SOLV O ATOM 19216 H1 TIP3 5729 53.271 15.316 51.764 1.00 0.00 SOLV H ATOM 19217 H2 TIP3 5729 53.719 14.692 50.448 1.00 0.00 SOLV H ATOM 19218 OH2 TIP3 5730 56.182 9.112 40.400 1.00 0.00 SOLV O ATOM 19219 H1 TIP3 5730 55.663 9.380 39.607 1.00 0.00 SOLV H ATOM 19220 H2 TIP3 5730 55.867 9.792 41.033 1.00 0.00 SOLV H ATOM 19221 OH2 TIP3 5731 54.621 6.302 38.849 1.00 0.00 SOLV O ATOM 19222 H1 TIP3 5731 54.422 6.840 38.075 1.00 0.00 SOLV H ATOM 19223 H2 TIP3 5731 54.307 5.427 38.533 1.00 0.00 SOLV H ATOM 19224 OH2 TIP3 5732 53.557 7.961 44.692 1.00 0.00 SOLV O ATOM 19225 H1 TIP3 5732 53.495 7.048 44.365 1.00 0.00 SOLV H ATOM 19226 H2 TIP3 5732 53.137 7.901 45.579 1.00 0.00 SOLV H ATOM 19227 OH2 TIP3 5733 38.489 9.802 48.714 1.00 0.00 SOLV O ATOM 19228 H1 TIP3 5733 38.630 9.609 47.762 1.00 0.00 SOLV H ATOM 19229 H2 TIP3 5733 39.380 9.581 49.075 1.00 0.00 SOLV H ATOM 19230 OH2 TIP3 5734 54.571 9.790 54.521 1.00 0.00 SOLV O ATOM 19231 H1 TIP3 5734 55.167 9.024 54.371 1.00 0.00 SOLV H ATOM 19232 H2 TIP3 5734 55.051 10.513 54.090 1.00 0.00 SOLV H ATOM 19233 OH2 TIP3 5735 55.993 7.472 54.379 1.00 0.00 SOLV O ATOM 19234 H1 TIP3 5735 55.100 7.086 54.505 1.00 0.00 SOLV H ATOM 19235 H2 TIP3 5735 56.541 6.690 54.612 1.00 0.00 SOLV H ATOM 19236 OH2 TIP3 5736 53.700 3.917 37.906 1.00 0.00 SOLV O ATOM 19237 H1 TIP3 5736 54.233 3.409 38.550 1.00 0.00 SOLV H ATOM 19238 H2 TIP3 5736 52.916 3.360 37.765 1.00 0.00 SOLV H ATOM 19239 OH2 TIP3 5737 53.495 5.508 42.994 1.00 0.00 SOLV O ATOM 19240 H1 TIP3 5737 53.792 4.568 43.025 1.00 0.00 SOLV H ATOM 19241 H2 TIP3 5737 54.231 5.893 42.481 1.00 0.00 SOLV H ATOM 19242 OH2 TIP3 5738 53.794 5.751 48.421 1.00 0.00 SOLV O ATOM 19243 H1 TIP3 5738 54.759 5.899 48.290 1.00 0.00 SOLV H ATOM 19244 H2 TIP3 5738 53.743 5.905 49.385 1.00 0.00 SOLV H ATOM 19245 OH2 TIP3 5739 54.056 6.648 51.101 1.00 0.00 SOLV O ATOM 19246 H1 TIP3 5739 53.255 7.028 51.505 1.00 0.00 SOLV H ATOM 19247 H2 TIP3 5739 54.620 7.443 50.983 1.00 0.00 SOLV H ATOM 19248 OH2 TIP3 5740 38.292 5.074 54.897 1.00 0.00 SOLV O ATOM 19249 H1 TIP3 5740 39.220 4.852 55.112 1.00 0.00 SOLV H ATOM 19250 H2 TIP3 5740 37.875 4.192 54.948 1.00 0.00 SOLV H ATOM 19251 OH2 TIP3 5741 56.457 0.930 56.842 1.00 0.00 SOLV O ATOM 19252 H1 TIP3 5741 57.175 0.311 56.628 1.00 0.00 SOLV H ATOM 19253 H2 TIP3 5741 56.231 1.316 55.972 1.00 0.00 SOLV H ATOM 19254 OH2 TIP3 5742 54.169 2.851 43.105 1.00 0.00 SOLV O ATOM 19255 H1 TIP3 5742 54.267 2.343 43.933 1.00 0.00 SOLV H ATOM 19256 H2 TIP3 5742 53.425 2.366 42.678 1.00 0.00 SOLV H ATOM 19257 OH2 TIP3 5743 39.484 3.426 47.649 1.00 0.00 SOLV O ATOM 19258 H1 TIP3 5743 39.871 2.545 47.812 1.00 0.00 SOLV H ATOM 19259 H2 TIP3 5743 40.219 4.011 47.908 1.00 0.00 SOLV H ATOM 19260 OH2 TIP3 5744 37.627 6.308 48.473 1.00 0.00 SOLV O ATOM 19261 H1 TIP3 5744 38.369 6.428 47.847 1.00 0.00 SOLV H ATOM 19262 H2 TIP3 5744 37.866 6.910 49.187 1.00 0.00 SOLV H ATOM 19263 OH2 TIP3 5745 55.730 2.604 54.646 1.00 0.00 SOLV O ATOM 19264 H1 TIP3 5745 54.909 3.131 54.693 1.00 0.00 SOLV H ATOM 19265 H2 TIP3 5745 55.737 2.400 53.697 1.00 0.00 SOLV H ATOM 19266 OH2 TIP3 5746 55.633 2.894 39.650 1.00 0.00 SOLV O ATOM 19267 H1 TIP3 5746 56.059 2.218 39.074 1.00 0.00 SOLV H ATOM 19268 H2 TIP3 5746 56.405 3.375 40.010 1.00 0.00 SOLV H ATOM 19269 OH2 TIP3 5747 38.105 2.366 42.644 1.00 0.00 SOLV O ATOM 19270 H1 TIP3 5747 37.152 2.574 42.711 1.00 0.00 SOLV H ATOM 19271 H2 TIP3 5747 38.414 3.145 42.129 1.00 0.00 SOLV H ATOM 19272 OH2 TIP3 5748 52.918 17.703 44.749 1.00 0.00 SOLV O ATOM 19273 H1 TIP3 5748 53.656 17.684 44.104 1.00 0.00 SOLV H ATOM 19274 H2 TIP3 5748 53.334 18.117 45.522 1.00 0.00 SOLV H ATOM 19275 OH2 TIP3 5749 38.242 2.026 51.576 1.00 0.00 SOLV O ATOM 19276 H1 TIP3 5749 37.921 1.113 51.561 1.00 0.00 SOLV H ATOM 19277 H2 TIP3 5749 37.841 2.389 50.765 1.00 0.00 SOLV H ATOM 19278 OH2 TIP3 5750 40.316 14.890 55.173 1.00 0.00 SOLV O ATOM 19279 H1 TIP3 5750 39.423 14.914 54.777 1.00 0.00 SOLV H ATOM 19280 H2 TIP3 5750 40.135 14.507 56.040 1.00 0.00 SOLV H ATOM 19281 OH2 TIP3 5751 43.375 15.773 51.487 1.00 0.00 SOLV O ATOM 19282 H1 TIP3 5751 43.112 16.671 51.192 1.00 0.00 SOLV H ATOM 19283 H2 TIP3 5751 44.328 15.829 51.264 1.00 0.00 SOLV H ATOM 19284 OH2 TIP3 5752 47.392 16.943 54.286 1.00 0.00 SOLV O ATOM 19285 H1 TIP3 5752 47.535 16.664 55.217 1.00 0.00 SOLV H ATOM 19286 H2 TIP3 5752 48.227 17.428 54.117 1.00 0.00 SOLV H ATOM 19287 OH2 TIP3 5753 49.702 18.375 53.887 1.00 0.00 SOLV O ATOM 19288 H1 TIP3 5753 50.409 17.834 53.509 1.00 0.00 SOLV H ATOM 19289 H2 TIP3 5753 50.137 18.698 54.707 1.00 0.00 SOLV H ATOM 19290 OH2 TIP3 5754 54.377 0.705 52.266 1.00 0.00 SOLV O ATOM 19291 H1 TIP3 5754 53.987 1.467 51.783 1.00 0.00 SOLV H ATOM 19292 H2 TIP3 5754 54.360 0.026 51.577 1.00 0.00 SOLV H ATOM 19293 OH2 TIP3 5755 40.491 18.765 51.631 1.00 0.00 SOLV O ATOM 19294 H1 TIP3 5755 39.678 19.195 51.288 1.00 0.00 SOLV H ATOM 19295 H2 TIP3 5755 40.585 19.234 52.486 1.00 0.00 SOLV H ATOM 19296 OH2 TIP3 5756 43.068 18.393 50.720 1.00 0.00 SOLV O ATOM 19297 H1 TIP3 5756 42.134 18.573 50.973 1.00 0.00 SOLV H ATOM 19298 H2 TIP3 5756 43.164 18.955 49.925 1.00 0.00 SOLV H ATOM 19299 OH2 TIP3 5757 47.702 18.145 49.865 1.00 0.00 SOLV O ATOM 19300 H1 TIP3 5757 47.220 18.560 49.126 1.00 0.00 SOLV H ATOM 19301 H2 TIP3 5757 47.802 18.898 50.485 1.00 0.00 SOLV H ATOM 19302 OH2 TIP3 5758 50.043 16.945 50.876 1.00 0.00 SOLV O ATOM 19303 H1 TIP3 5758 49.231 17.340 50.501 1.00 0.00 SOLV H ATOM 19304 H2 TIP3 5758 50.703 17.627 50.670 1.00 0.00 SOLV H ATOM 19305 OH2 TIP3 5759 52.492 18.567 50.907 1.00 0.00 SOLV O ATOM 19306 H1 TIP3 5759 52.616 19.496 50.624 1.00 0.00 SOLV H ATOM 19307 H2 TIP3 5759 52.872 18.077 50.142 1.00 0.00 SOLV H ATOM 19308 OH2 TIP3 5760 40.046 17.409 48.370 1.00 0.00 SOLV O ATOM 19309 H1 TIP3 5760 40.008 16.868 49.188 1.00 0.00 SOLV H ATOM 19310 H2 TIP3 5760 40.840 16.997 47.959 1.00 0.00 SOLV H ATOM 19311 OH2 TIP3 5761 42.151 16.106 47.282 1.00 0.00 SOLV O ATOM 19312 H1 TIP3 5761 42.025 15.172 47.579 1.00 0.00 SOLV H ATOM 19313 H2 TIP3 5761 43.076 16.261 47.567 1.00 0.00 SOLV H ATOM 19314 OH2 TIP3 5762 44.817 16.399 48.198 1.00 0.00 SOLV O ATOM 19315 H1 TIP3 5762 44.944 15.455 47.969 1.00 0.00 SOLV H ATOM 19316 H2 TIP3 5762 45.133 16.378 49.123 1.00 0.00 SOLV H ATOM 19317 OH2 TIP3 5763 48.066 2.529 47.168 1.00 0.00 SOLV O ATOM 19318 H1 TIP3 5763 47.283 1.962 47.329 1.00 0.00 SOLV H ATOM 19319 H2 TIP3 5763 48.666 1.899 46.708 1.00 0.00 SOLV H ATOM 19320 OH2 TIP3 5764 53.849 0.936 47.554 1.00 0.00 SOLV O ATOM 19321 H1 TIP3 5764 54.467 1.125 46.818 1.00 0.00 SOLV H ATOM 19322 H2 TIP3 5764 53.100 1.478 47.257 1.00 0.00 SOLV H ATOM 19323 OH2 TIP3 5765 55.245 1.457 45.276 1.00 0.00 SOLV O ATOM 19324 H1 TIP3 5765 55.903 1.055 44.699 1.00 0.00 SOLV H ATOM 19325 H2 TIP3 5765 55.671 2.338 45.433 1.00 0.00 SOLV H ATOM 19326 OH2 TIP3 5766 40.793 0.805 44.732 1.00 0.00 SOLV O ATOM 19327 H1 TIP3 5766 40.106 0.935 44.062 1.00 0.00 SOLV H ATOM 19328 H2 TIP3 5766 41.075 -0.106 44.577 1.00 0.00 SOLV H ATOM 19329 OH2 TIP3 5767 39.712 0.839 40.946 1.00 0.00 SOLV O ATOM 19330 H1 TIP3 5767 40.044 1.519 40.323 1.00 0.00 SOLV H ATOM 19331 H2 TIP3 5767 39.082 1.356 41.485 1.00 0.00 SOLV H ATOM 19332 OH2 TIP3 5768 45.024 1.528 44.780 1.00 0.00 SOLV O ATOM 19333 H1 TIP3 5768 45.860 1.867 44.396 1.00 0.00 SOLV H ATOM 19334 H2 TIP3 5768 45.277 1.438 45.721 1.00 0.00 SOLV H ATOM 19335 OH2 TIP3 5769 49.955 1.025 45.872 1.00 0.00 SOLV O ATOM 19336 H1 TIP3 5769 50.407 1.472 45.151 1.00 0.00 SOLV H ATOM 19337 H2 TIP3 5769 50.631 0.365 46.160 1.00 0.00 SOLV H ATOM 19338 OH2 TIP3 5770 52.090 1.428 42.044 1.00 0.00 SOLV O ATOM 19339 H1 TIP3 5770 51.174 1.729 42.214 1.00 0.00 SOLV H ATOM 19340 H2 TIP3 5770 51.979 0.460 41.923 1.00 0.00 SOLV H ATOM 19341 OH2 TIP3 5771 39.365 16.912 41.581 1.00 0.00 SOLV O ATOM 19342 H1 TIP3 5771 38.595 16.802 40.995 1.00 0.00 SOLV H ATOM 19343 H2 TIP3 5771 39.542 17.862 41.428 1.00 0.00 SOLV H ATOM 19344 OH2 TIP3 5772 41.209 2.592 39.286 1.00 0.00 SOLV O ATOM 19345 H1 TIP3 5772 41.688 2.074 38.607 1.00 0.00 SOLV H ATOM 19346 H2 TIP3 5772 41.950 2.884 39.856 1.00 0.00 SOLV H ATOM 19347 OH2 TIP3 5773 46.140 2.995 41.645 1.00 0.00 SOLV O ATOM 19348 H1 TIP3 5773 46.507 2.301 42.222 1.00 0.00 SOLV H ATOM 19349 H2 TIP3 5773 46.407 3.786 42.164 1.00 0.00 SOLV H ATOM 19350 OH2 TIP3 5774 48.101 17.900 39.823 1.00 0.00 SOLV O ATOM 19351 H1 TIP3 5774 49.071 18.029 39.778 1.00 0.00 SOLV H ATOM 19352 H2 TIP3 5774 47.989 17.289 39.058 1.00 0.00 SOLV H ATOM 19353 OH2 TIP3 5775 54.949 17.535 42.863 1.00 0.00 SOLV O ATOM 19354 H1 TIP3 5775 54.767 16.622 42.532 1.00 0.00 SOLV H ATOM 19355 H2 TIP3 5775 54.727 18.058 42.066 1.00 0.00 SOLV H ATOM 19356 OH2 TIP3 5776 40.611 1.809 54.404 1.00 0.00 SOLV O ATOM 19357 H1 TIP3 5776 39.954 1.123 54.225 1.00 0.00 SOLV H ATOM 19358 H2 TIP3 5776 41.306 1.328 54.889 1.00 0.00 SOLV H ATOM 19359 OH2 TIP3 5777 42.715 0.836 56.184 1.00 0.00 SOLV O ATOM 19360 H1 TIP3 5777 43.667 1.094 56.092 1.00 0.00 SOLV H ATOM 19361 H2 TIP3 5777 42.760 0.352 57.018 1.00 0.00 SOLV H ATOM 19362 OH2 TIP3 5778 41.161 17.650 38.274 1.00 0.00 SOLV O ATOM 19363 H1 TIP3 5778 40.967 17.548 39.214 1.00 0.00 SOLV H ATOM 19364 H2 TIP3 5778 41.941 17.059 38.171 1.00 0.00 SOLV H ATOM 19365 OH2 TIP3 5779 53.955 16.166 54.831 1.00 0.00 SOLV O ATOM 19366 H1 TIP3 5779 53.309 16.148 54.095 1.00 0.00 SOLV H ATOM 19367 H2 TIP3 5779 53.872 17.098 55.118 1.00 0.00 SOLV H ATOM 19368 OH2 TIP3 5780 68.233 9.725 44.339 1.00 0.00 SOLV O ATOM 19369 H1 TIP3 5780 68.659 10.486 44.764 1.00 0.00 SOLV H ATOM 19370 H2 TIP3 5780 67.437 10.152 44.008 1.00 0.00 SOLV H ATOM 19371 OH2 TIP3 5781 67.051 9.558 48.403 1.00 0.00 SOLV O ATOM 19372 H1 TIP3 5781 67.873 9.113 48.678 1.00 0.00 SOLV H ATOM 19373 H2 TIP3 5781 66.779 8.998 47.663 1.00 0.00 SOLV H ATOM 19374 OH2 TIP3 5782 59.646 8.901 49.883 1.00 0.00 SOLV O ATOM 19375 H1 TIP3 5782 59.654 8.067 50.392 1.00 0.00 SOLV H ATOM 19376 H2 TIP3 5782 60.541 9.228 50.046 1.00 0.00 SOLV H ATOM 19377 OH2 TIP3 5783 60.811 13.519 48.111 1.00 0.00 SOLV O ATOM 19378 H1 TIP3 5783 60.608 12.593 47.861 1.00 0.00 SOLV H ATOM 19379 H2 TIP3 5783 61.773 13.453 48.265 1.00 0.00 SOLV H ATOM 19380 OH2 TIP3 5784 57.481 6.759 43.433 1.00 0.00 SOLV O ATOM 19381 H1 TIP3 5784 57.088 7.587 43.763 1.00 0.00 SOLV H ATOM 19382 H2 TIP3 5784 56.884 6.582 42.681 1.00 0.00 SOLV H ATOM 19383 OH2 TIP3 5785 57.897 9.109 46.120 1.00 0.00 SOLV O ATOM 19384 H1 TIP3 5785 58.213 8.201 46.325 1.00 0.00 SOLV H ATOM 19385 H2 TIP3 5785 58.719 9.563 45.891 1.00 0.00 SOLV H ATOM 19386 OH2 TIP3 5786 67.596 17.510 46.832 1.00 0.00 SOLV O ATOM 19387 H1 TIP3 5786 68.502 17.251 46.556 1.00 0.00 SOLV H ATOM 19388 H2 TIP3 5786 67.528 17.129 47.720 1.00 0.00 SOLV H ATOM 19389 OH2 TIP3 5787 65.586 11.887 48.764 1.00 0.00 SOLV O ATOM 19390 H1 TIP3 5787 65.978 11.003 48.583 1.00 0.00 SOLV H ATOM 19391 H2 TIP3 5787 66.372 12.302 49.169 1.00 0.00 SOLV H ATOM 19392 OH2 TIP3 5788 68.343 5.142 49.082 1.00 0.00 SOLV O ATOM 19393 H1 TIP3 5788 68.823 4.428 48.654 1.00 0.00 SOLV H ATOM 19394 H2 TIP3 5788 68.597 5.911 48.544 1.00 0.00 SOLV H ATOM 19395 OH2 TIP3 5789 62.281 4.248 46.287 1.00 0.00 SOLV O ATOM 19396 H1 TIP3 5789 62.464 5.084 45.808 1.00 0.00 SOLV H ATOM 19397 H2 TIP3 5789 61.864 3.734 45.565 1.00 0.00 SOLV H ATOM 19398 OH2 TIP3 5790 58.800 6.642 46.881 1.00 0.00 SOLV O ATOM 19399 H1 TIP3 5790 59.433 6.217 47.491 1.00 0.00 SOLV H ATOM 19400 H2 TIP3 5790 59.097 6.250 46.030 1.00 0.00 SOLV H ATOM 19401 OH2 TIP3 5791 63.744 8.097 46.466 1.00 0.00 SOLV O ATOM 19402 H1 TIP3 5791 64.514 7.588 46.817 1.00 0.00 SOLV H ATOM 19403 H2 TIP3 5791 63.347 7.430 45.864 1.00 0.00 SOLV H ATOM 19404 OH2 TIP3 5792 61.049 3.259 50.372 1.00 0.00 SOLV O ATOM 19405 H1 TIP3 5792 60.785 3.871 49.657 1.00 0.00 SOLV H ATOM 19406 H2 TIP3 5792 60.332 3.434 51.020 1.00 0.00 SOLV H ATOM 19407 OH2 TIP3 5793 67.984 12.733 43.757 1.00 0.00 SOLV O ATOM 19408 H1 TIP3 5793 67.871 12.931 42.815 1.00 0.00 SOLV H ATOM 19409 H2 TIP3 5793 67.785 13.602 44.159 1.00 0.00 SOLV H ATOM 19410 OH2 TIP3 5794 63.626 10.943 50.334 1.00 0.00 SOLV O ATOM 19411 H1 TIP3 5794 63.116 11.693 50.713 1.00 0.00 SOLV H ATOM 19412 H2 TIP3 5794 64.304 11.418 49.806 1.00 0.00 SOLV H ATOM 19413 OH2 TIP3 5795 60.599 4.992 48.249 1.00 0.00 SOLV O ATOM 19414 H1 TIP3 5795 61.213 5.557 48.772 1.00 0.00 SOLV H ATOM 19415 H2 TIP3 5795 61.227 4.668 47.558 1.00 0.00 SOLV H ATOM 19416 OH2 TIP3 5796 62.111 13.012 51.403 1.00 0.00 SOLV O ATOM 19417 H1 TIP3 5796 62.100 13.981 51.259 1.00 0.00 SOLV H ATOM 19418 H2 TIP3 5796 61.171 12.875 51.654 1.00 0.00 SOLV H ATOM 19419 OH2 TIP3 5797 57.882 12.643 42.018 1.00 0.00 SOLV O ATOM 19420 H1 TIP3 5797 57.757 13.143 41.191 1.00 0.00 SOLV H ATOM 19421 H2 TIP3 5797 58.214 13.346 42.616 1.00 0.00 SOLV H ATOM 19422 OH2 TIP3 5798 64.476 0.984 47.385 1.00 0.00 SOLV O ATOM 19423 H1 TIP3 5798 64.843 0.228 47.891 1.00 0.00 SOLV H ATOM 19424 H2 TIP3 5798 63.653 1.149 47.894 1.00 0.00 SOLV H ATOM 19425 OH2 TIP3 5799 67.307 9.377 41.464 1.00 0.00 SOLV O ATOM 19426 H1 TIP3 5799 66.485 9.907 41.515 1.00 0.00 SOLV H ATOM 19427 H2 TIP3 5799 67.951 10.048 41.735 1.00 0.00 SOLV H ATOM 19428 OH2 TIP3 5800 67.082 7.796 39.026 1.00 0.00 SOLV O ATOM 19429 H1 TIP3 5800 67.202 8.110 39.943 1.00 0.00 SOLV H ATOM 19430 H2 TIP3 5800 67.491 6.916 39.024 1.00 0.00 SOLV H ATOM 19431 OH2 TIP3 5801 62.285 10.091 45.244 1.00 0.00 SOLV O ATOM 19432 H1 TIP3 5801 62.033 9.717 44.375 1.00 0.00 SOLV H ATOM 19433 H2 TIP3 5801 62.841 9.376 45.624 1.00 0.00 SOLV H ATOM 19434 OH2 TIP3 5802 63.611 13.636 47.831 1.00 0.00 SOLV O ATOM 19435 H1 TIP3 5802 63.699 13.571 46.866 1.00 0.00 SOLV H ATOM 19436 H2 TIP3 5802 64.307 13.018 48.142 1.00 0.00 SOLV H ATOM 19437 OH2 TIP3 5803 62.472 8.978 48.802 1.00 0.00 SOLV O ATOM 19438 H1 TIP3 5803 63.039 8.766 48.028 1.00 0.00 SOLV H ATOM 19439 H2 TIP3 5803 63.002 9.658 49.274 1.00 0.00 SOLV H ATOM 19440 OH2 TIP3 5804 68.468 14.796 50.035 1.00 0.00 SOLV O ATOM 19441 H1 TIP3 5804 69.306 14.990 50.483 1.00 0.00 SOLV H ATOM 19442 H2 TIP3 5804 68.269 13.898 50.265 1.00 0.00 SOLV H ATOM 19443 OH2 TIP3 5805 63.634 13.272 53.658 1.00 0.00 SOLV O ATOM 19444 H1 TIP3 5805 62.993 13.921 54.028 1.00 0.00 SOLV H ATOM 19445 H2 TIP3 5805 63.163 13.024 52.833 1.00 0.00 SOLV H ATOM 19446 OH2 TIP3 5806 60.534 9.284 53.006 1.00 0.00 SOLV O ATOM 19447 H1 TIP3 5806 60.597 10.103 53.535 1.00 0.00 SOLV H ATOM 19448 H2 TIP3 5806 59.569 9.259 52.832 1.00 0.00 SOLV H ATOM 19449 OH2 TIP3 5807 67.458 15.475 44.371 1.00 0.00 SOLV O ATOM 19450 H1 TIP3 5807 67.338 15.933 45.217 1.00 0.00 SOLV H ATOM 19451 H2 TIP3 5807 67.214 16.182 43.749 1.00 0.00 SOLV H ATOM 19452 OH2 TIP3 5808 61.738 15.175 54.259 1.00 0.00 SOLV O ATOM 19453 H1 TIP3 5808 61.689 15.482 53.332 1.00 0.00 SOLV H ATOM 19454 H2 TIP3 5808 60.789 15.045 54.489 1.00 0.00 SOLV H ATOM 19455 OH2 TIP3 5809 61.411 9.268 42.627 1.00 0.00 SOLV O ATOM 19456 H1 TIP3 5809 60.854 9.905 42.129 1.00 0.00 SOLV H ATOM 19457 H2 TIP3 5809 60.918 8.447 42.516 1.00 0.00 SOLV H ATOM 19458 OH2 TIP3 5810 57.286 11.657 51.687 1.00 0.00 SOLV O ATOM 19459 H1 TIP3 5810 56.773 11.739 50.854 1.00 0.00 SOLV H ATOM 19460 H2 TIP3 5810 57.478 10.699 51.731 1.00 0.00 SOLV H ATOM 19461 OH2 TIP3 5811 57.199 14.485 48.273 1.00 0.00 SOLV O ATOM 19462 H1 TIP3 5811 58.128 14.264 48.431 1.00 0.00 SOLV H ATOM 19463 H2 TIP3 5811 57.027 15.116 48.989 1.00 0.00 SOLV H ATOM 19464 OH2 TIP3 5812 66.015 14.432 53.022 1.00 0.00 SOLV O ATOM 19465 H1 TIP3 5812 65.999 15.271 53.508 1.00 0.00 SOLV H ATOM 19466 H2 TIP3 5812 65.160 14.030 53.289 1.00 0.00 SOLV H ATOM 19467 OH2 TIP3 5813 66.806 18.111 42.864 1.00 0.00 SOLV O ATOM 19468 H1 TIP3 5813 66.772 18.303 41.918 1.00 0.00 SOLV H ATOM 19469 H2 TIP3 5813 66.698 18.987 43.269 1.00 0.00 SOLV H ATOM 19470 OH2 TIP3 5814 60.354 17.053 44.797 1.00 0.00 SOLV O ATOM 19471 H1 TIP3 5814 60.531 16.726 45.706 1.00 0.00 SOLV H ATOM 19472 H2 TIP3 5814 59.839 16.317 44.421 1.00 0.00 SOLV H ATOM 19473 OH2 TIP3 5815 59.545 13.059 52.372 1.00 0.00 SOLV O ATOM 19474 H1 TIP3 5815 59.752 12.652 53.236 1.00 0.00 SOLV H ATOM 19475 H2 TIP3 5815 58.723 12.585 52.126 1.00 0.00 SOLV H ATOM 19476 OH2 TIP3 5816 62.176 1.125 48.984 1.00 0.00 SOLV O ATOM 19477 H1 TIP3 5816 61.385 1.106 48.406 1.00 0.00 SOLV H ATOM 19478 H2 TIP3 5816 61.911 1.865 49.570 1.00 0.00 SOLV H ATOM 19479 OH2 TIP3 5817 66.883 1.337 52.115 1.00 0.00 SOLV O ATOM 19480 H1 TIP3 5817 67.135 0.440 52.407 1.00 0.00 SOLV H ATOM 19481 H2 TIP3 5817 65.913 1.255 52.129 1.00 0.00 SOLV H ATOM 19482 OH2 TIP3 5818 66.656 3.512 39.476 1.00 0.00 SOLV O ATOM 19483 H1 TIP3 5818 66.046 3.261 40.192 1.00 0.00 SOLV H ATOM 19484 H2 TIP3 5818 66.312 2.964 38.744 1.00 0.00 SOLV H ATOM 19485 OH2 TIP3 5819 62.268 6.464 49.833 1.00 0.00 SOLV O ATOM 19486 H1 TIP3 5819 61.606 6.567 50.548 1.00 0.00 SOLV H ATOM 19487 H2 TIP3 5819 62.349 7.387 49.507 1.00 0.00 SOLV H ATOM 19488 OH2 TIP3 5820 62.312 6.495 44.750 1.00 0.00 SOLV O ATOM 19489 H1 TIP3 5820 61.342 6.362 44.707 1.00 0.00 SOLV H ATOM 19490 H2 TIP3 5820 62.551 6.221 43.838 1.00 0.00 SOLV H ATOM 19491 OH2 TIP3 5821 67.519 6.906 43.120 1.00 0.00 SOLV O ATOM 19492 H1 TIP3 5821 67.129 7.717 43.482 1.00 0.00 SOLV H ATOM 19493 H2 TIP3 5821 67.760 7.209 42.233 1.00 0.00 SOLV H ATOM 19494 OH2 TIP3 5822 67.100 6.983 54.711 1.00 0.00 SOLV O ATOM 19495 H1 TIP3 5822 66.601 6.250 55.133 1.00 0.00 SOLV H ATOM 19496 H2 TIP3 5822 68.021 6.727 54.892 1.00 0.00 SOLV H ATOM 19497 OH2 TIP3 5823 68.103 6.038 46.243 1.00 0.00 SOLV O ATOM 19498 H1 TIP3 5823 68.548 6.798 45.859 1.00 0.00 SOLV H ATOM 19499 H2 TIP3 5823 68.566 5.292 45.812 1.00 0.00 SOLV H ATOM 19500 OH2 TIP3 5824 60.049 6.600 51.469 1.00 0.00 SOLV O ATOM 19501 H1 TIP3 5824 60.274 7.006 52.319 1.00 0.00 SOLV H ATOM 19502 H2 TIP3 5824 59.646 5.749 51.747 1.00 0.00 SOLV H ATOM 19503 OH2 TIP3 5825 63.342 3.835 38.142 1.00 0.00 SOLV O ATOM 19504 H1 TIP3 5825 62.965 3.725 39.040 1.00 0.00 SOLV H ATOM 19505 H2 TIP3 5825 62.796 4.585 37.821 1.00 0.00 SOLV H ATOM 19506 OH2 TIP3 5826 56.734 3.651 45.474 1.00 0.00 SOLV O ATOM 19507 H1 TIP3 5826 57.270 3.721 46.293 1.00 0.00 SOLV H ATOM 19508 H2 TIP3 5826 57.363 3.904 44.790 1.00 0.00 SOLV H ATOM 19509 OH2 TIP3 5827 57.603 4.415 40.944 1.00 0.00 SOLV O ATOM 19510 H1 TIP3 5827 58.270 4.799 40.334 1.00 0.00 SOLV H ATOM 19511 H2 TIP3 5827 57.037 5.202 41.064 1.00 0.00 SOLV H ATOM 19512 OH2 TIP3 5828 68.232 7.747 51.158 1.00 0.00 SOLV O ATOM 19513 H1 TIP3 5828 68.485 7.344 50.306 1.00 0.00 SOLV H ATOM 19514 H2 TIP3 5828 67.495 7.163 51.428 1.00 0.00 SOLV H ATOM 19515 OH2 TIP3 5829 64.979 4.233 45.751 1.00 0.00 SOLV O ATOM 19516 H1 TIP3 5829 64.142 4.122 46.239 1.00 0.00 SOLV H ATOM 19517 H2 TIP3 5829 65.633 3.843 46.357 1.00 0.00 SOLV H ATOM 19518 OH2 TIP3 5830 59.725 5.639 44.499 1.00 0.00 SOLV O ATOM 19519 H1 TIP3 5830 58.953 5.958 43.971 1.00 0.00 SOLV H ATOM 19520 H2 TIP3 5830 59.971 4.806 44.054 1.00 0.00 SOLV H ATOM 19521 OH2 TIP3 5831 62.754 5.598 42.219 1.00 0.00 SOLV O ATOM 19522 H1 TIP3 5831 63.723 5.531 42.358 1.00 0.00 SOLV H ATOM 19523 H2 TIP3 5831 62.684 6.076 41.358 1.00 0.00 SOLV H ATOM 19524 OH2 TIP3 5832 62.422 6.748 39.783 1.00 0.00 SOLV O ATOM 19525 H1 TIP3 5832 61.860 6.491 39.029 1.00 0.00 SOLV H ATOM 19526 H2 TIP3 5832 63.159 7.183 39.306 1.00 0.00 SOLV H ATOM 19527 OH2 TIP3 5833 60.358 11.547 54.719 1.00 0.00 SOLV O ATOM 19528 H1 TIP3 5833 61.022 11.572 55.434 1.00 0.00 SOLV H ATOM 19529 H2 TIP3 5833 59.534 11.514 55.244 1.00 0.00 SOLV H ATOM 19530 OH2 TIP3 5834 65.775 6.658 47.532 1.00 0.00 SOLV O ATOM 19531 H1 TIP3 5834 66.580 6.351 47.058 1.00 0.00 SOLV H ATOM 19532 H2 TIP3 5834 65.735 6.015 48.260 1.00 0.00 SOLV H ATOM 19533 OH2 TIP3 5835 61.067 3.064 44.127 1.00 0.00 SOLV O ATOM 19534 H1 TIP3 5835 60.573 2.264 44.398 1.00 0.00 SOLV H ATOM 19535 H2 TIP3 5835 61.862 2.669 43.736 1.00 0.00 SOLV H ATOM 19536 OH2 TIP3 5836 64.735 5.248 50.030 1.00 0.00 SOLV O ATOM 19537 H1 TIP3 5836 63.942 5.813 49.938 1.00 0.00 SOLV H ATOM 19538 H2 TIP3 5836 65.257 5.720 50.714 1.00 0.00 SOLV H ATOM 19539 OH2 TIP3 5837 65.283 11.288 41.690 1.00 0.00 SOLV O ATOM 19540 H1 TIP3 5837 64.508 10.869 41.248 1.00 0.00 SOLV H ATOM 19541 H2 TIP3 5837 64.886 11.499 42.574 1.00 0.00 SOLV H ATOM 19542 OH2 TIP3 5838 66.963 11.788 52.643 1.00 0.00 SOLV O ATOM 19543 H1 TIP3 5838 66.807 11.462 53.534 1.00 0.00 SOLV H ATOM 19544 H2 TIP3 5838 66.762 12.742 52.731 1.00 0.00 SOLV H ATOM 19545 OH2 TIP3 5839 60.689 10.844 47.367 1.00 0.00 SOLV O ATOM 19546 H1 TIP3 5839 61.242 10.659 46.580 1.00 0.00 SOLV H ATOM 19547 H2 TIP3 5839 60.986 10.147 47.973 1.00 0.00 SOLV H ATOM 19548 OH2 TIP3 5840 67.466 12.819 40.932 1.00 0.00 SOLV O ATOM 19549 H1 TIP3 5840 67.084 13.730 40.931 1.00 0.00 SOLV H ATOM 19550 H2 TIP3 5840 66.671 12.289 41.158 1.00 0.00 SOLV H ATOM 19551 OH2 TIP3 5841 57.766 9.073 52.748 1.00 0.00 SOLV O ATOM 19552 H1 TIP3 5841 57.577 8.718 53.637 1.00 0.00 SOLV H ATOM 19553 H2 TIP3 5841 57.071 8.638 52.225 1.00 0.00 SOLV H ATOM 19554 OH2 TIP3 5842 64.852 8.779 54.881 1.00 0.00 SOLV O ATOM 19555 H1 TIP3 5842 64.291 8.463 54.154 1.00 0.00 SOLV H ATOM 19556 H2 TIP3 5842 65.682 8.292 54.700 1.00 0.00 SOLV H ATOM 19557 OH2 TIP3 5843 63.069 14.333 44.855 1.00 0.00 SOLV O ATOM 19558 H1 TIP3 5843 63.243 15.230 44.506 1.00 0.00 SOLV H ATOM 19559 H2 TIP3 5843 62.108 14.290 44.800 1.00 0.00 SOLV H ATOM 19560 OH2 TIP3 5844 58.773 8.921 39.498 1.00 0.00 SOLV O ATOM 19561 H1 TIP3 5844 59.220 9.631 40.006 1.00 0.00 SOLV H ATOM 19562 H2 TIP3 5844 57.859 8.994 39.858 1.00 0.00 SOLV H ATOM 19563 OH2 TIP3 5845 64.026 11.874 44.004 1.00 0.00 SOLV O ATOM 19564 H1 TIP3 5845 63.798 12.764 44.340 1.00 0.00 SOLV H ATOM 19565 H2 TIP3 5845 63.438 11.308 44.542 1.00 0.00 SOLV H ATOM 19566 OH2 TIP3 5846 64.884 16.037 50.669 1.00 0.00 SOLV O ATOM 19567 H1 TIP3 5846 65.531 16.719 50.370 1.00 0.00 SOLV H ATOM 19568 H2 TIP3 5846 65.489 15.389 51.073 1.00 0.00 SOLV H ATOM 19569 OH2 TIP3 5847 62.956 17.042 43.821 1.00 0.00 SOLV O ATOM 19570 H1 TIP3 5847 62.032 17.210 44.093 1.00 0.00 SOLV H ATOM 19571 H2 TIP3 5847 63.394 17.859 44.155 1.00 0.00 SOLV H ATOM 19572 OH2 TIP3 5848 67.967 12.134 50.112 1.00 0.00 SOLV O ATOM 19573 H1 TIP3 5848 67.641 11.682 50.940 1.00 0.00 SOLV H ATOM 19574 H2 TIP3 5848 68.453 11.406 49.640 1.00 0.00 SOLV H ATOM 19575 OH2 TIP3 5849 59.040 4.008 52.103 1.00 0.00 SOLV O ATOM 19576 H1 TIP3 5849 58.126 3.869 51.787 1.00 0.00 SOLV H ATOM 19577 H2 TIP3 5849 59.091 3.289 52.760 1.00 0.00 SOLV H ATOM 19578 OH2 TIP3 5850 58.848 15.597 50.512 1.00 0.00 SOLV O ATOM 19579 H1 TIP3 5850 59.162 14.763 50.904 1.00 0.00 SOLV H ATOM 19580 H2 TIP3 5850 59.016 16.222 51.230 1.00 0.00 SOLV H ATOM 19581 OH2 TIP3 5851 64.490 14.333 38.005 1.00 0.00 SOLV O ATOM 19582 H1 TIP3 5851 64.689 13.466 37.606 1.00 0.00 SOLV H ATOM 19583 H2 TIP3 5851 64.070 14.058 38.846 1.00 0.00 SOLV H ATOM 19584 OH2 TIP3 5852 63.341 13.827 40.461 1.00 0.00 SOLV O ATOM 19585 H1 TIP3 5852 63.862 13.314 41.094 1.00 0.00 SOLV H ATOM 19586 H2 TIP3 5852 63.463 14.744 40.801 1.00 0.00 SOLV H ATOM 19587 OH2 TIP3 5853 59.825 10.953 41.048 1.00 0.00 SOLV O ATOM 19588 H1 TIP3 5853 59.094 11.420 41.509 1.00 0.00 SOLV H ATOM 19589 H2 TIP3 5853 60.219 11.705 40.563 1.00 0.00 SOLV H ATOM 19590 OH2 TIP3 5854 67.683 3.944 52.073 1.00 0.00 SOLV O ATOM 19591 H1 TIP3 5854 68.483 3.636 51.619 1.00 0.00 SOLV H ATOM 19592 H2 TIP3 5854 67.228 3.085 52.187 1.00 0.00 SOLV H ATOM 19593 OH2 TIP3 5855 68.041 3.755 42.502 1.00 0.00 SOLV O ATOM 19594 H1 TIP3 5855 68.260 3.967 41.581 1.00 0.00 SOLV H ATOM 19595 H2 TIP3 5855 68.533 4.436 42.985 1.00 0.00 SOLV H ATOM 19596 OH2 TIP3 5856 66.386 15.295 41.062 1.00 0.00 SOLV O ATOM 19597 H1 TIP3 5856 65.456 15.544 41.230 1.00 0.00 SOLV H ATOM 19598 H2 TIP3 5856 66.770 16.180 40.955 1.00 0.00 SOLV H ATOM 19599 OH2 TIP3 5857 65.281 5.172 43.206 1.00 0.00 SOLV O ATOM 19600 H1 TIP3 5857 66.112 5.678 43.298 1.00 0.00 SOLV H ATOM 19601 H2 TIP3 5857 65.163 4.849 44.133 1.00 0.00 SOLV H ATOM 19602 OH2 TIP3 5858 66.223 6.182 52.145 1.00 0.00 SOLV O ATOM 19603 H1 TIP3 5858 66.436 6.436 53.066 1.00 0.00 SOLV H ATOM 19604 H2 TIP3 5858 66.755 5.354 52.061 1.00 0.00 SOLV H ATOM 19605 OH2 TIP3 5859 66.367 2.313 43.981 1.00 0.00 SOLV O ATOM 19606 H1 TIP3 5859 66.648 2.527 44.901 1.00 0.00 SOLV H ATOM 19607 H2 TIP3 5859 66.943 2.922 43.467 1.00 0.00 SOLV H ATOM 19608 OH2 TIP3 5860 63.874 16.338 41.340 1.00 0.00 SOLV O ATOM 19609 H1 TIP3 5860 63.872 17.202 40.872 1.00 0.00 SOLV H ATOM 19610 H2 TIP3 5860 63.560 16.612 42.233 1.00 0.00 SOLV H ATOM 19611 OH2 TIP3 5861 62.392 3.341 40.689 1.00 0.00 SOLV O ATOM 19612 H1 TIP3 5861 62.282 4.103 41.296 1.00 0.00 SOLV H ATOM 19613 H2 TIP3 5861 63.282 3.034 40.974 1.00 0.00 SOLV H ATOM 19614 OH2 TIP3 5862 60.706 13.225 39.627 1.00 0.00 SOLV O ATOM 19615 H1 TIP3 5862 61.495 13.637 40.034 1.00 0.00 SOLV H ATOM 19616 H2 TIP3 5862 61.160 12.684 38.944 1.00 0.00 SOLV H ATOM 19617 OH2 TIP3 5863 58.670 6.187 39.136 1.00 0.00 SOLV O ATOM 19618 H1 TIP3 5863 58.851 7.125 39.347 1.00 0.00 SOLV H ATOM 19619 H2 TIP3 5863 58.150 6.263 38.328 1.00 0.00 SOLV H ATOM 19620 OH2 TIP3 5864 59.802 0.949 47.526 1.00 0.00 SOLV O ATOM 19621 H1 TIP3 5864 59.712 1.042 46.558 1.00 0.00 SOLV H ATOM 19622 H2 TIP3 5864 59.917 -0.026 47.588 1.00 0.00 SOLV H ATOM 19623 OH2 TIP3 5865 58.590 14.973 43.416 1.00 0.00 SOLV O ATOM 19624 H1 TIP3 5865 57.931 15.201 44.085 1.00 0.00 SOLV H ATOM 19625 H2 TIP3 5865 58.441 15.663 42.725 1.00 0.00 SOLV H ATOM 19626 OH2 TIP3 5866 58.112 17.947 55.292 1.00 0.00 SOLV O ATOM 19627 H1 TIP3 5866 58.791 17.701 55.963 1.00 0.00 SOLV H ATOM 19628 H2 TIP3 5866 57.801 17.067 55.024 1.00 0.00 SOLV H ATOM 19629 OH2 TIP3 5867 62.347 16.343 56.664 1.00 0.00 SOLV O ATOM 19630 H1 TIP3 5867 63.172 15.883 56.889 1.00 0.00 SOLV H ATOM 19631 H2 TIP3 5867 62.162 15.940 55.789 1.00 0.00 SOLV H ATOM 19632 OH2 TIP3 5868 66.860 15.722 37.957 1.00 0.00 SOLV O ATOM 19633 H1 TIP3 5868 65.964 15.325 38.040 1.00 0.00 SOLV H ATOM 19634 H2 TIP3 5868 67.377 14.889 37.990 1.00 0.00 SOLV H ATOM 19635 OH2 TIP3 5869 57.894 11.482 56.040 1.00 0.00 SOLV O ATOM 19636 H1 TIP3 5869 57.887 10.511 55.926 1.00 0.00 SOLV H ATOM 19637 H2 TIP3 5869 57.192 11.761 55.411 1.00 0.00 SOLV H ATOM 19638 OH2 TIP3 5870 62.139 11.481 38.168 1.00 0.00 SOLV O ATOM 19639 H1 TIP3 5870 62.446 10.973 38.943 1.00 0.00 SOLV H ATOM 19640 H2 TIP3 5870 62.984 11.563 37.674 1.00 0.00 SOLV H ATOM 19641 OH2 TIP3 5871 64.435 11.565 55.598 1.00 0.00 SOLV O ATOM 19642 H1 TIP3 5871 64.218 12.072 54.783 1.00 0.00 SOLV H ATOM 19643 H2 TIP3 5871 64.612 10.668 55.251 1.00 0.00 SOLV H ATOM 19644 OH2 TIP3 5872 67.555 12.973 38.064 1.00 0.00 SOLV O ATOM 19645 H1 TIP3 5872 67.716 12.874 39.021 1.00 0.00 SOLV H ATOM 19646 H2 TIP3 5872 67.404 12.046 37.805 1.00 0.00 SOLV H ATOM 19647 OH2 TIP3 5873 58.712 8.787 55.629 1.00 0.00 SOLV O ATOM 19648 H1 TIP3 5873 59.509 8.326 55.340 1.00 0.00 SOLV H ATOM 19649 H2 TIP3 5873 58.833 8.816 56.602 1.00 0.00 SOLV H ATOM 19650 OH2 TIP3 5874 63.254 9.916 40.457 1.00 0.00 SOLV O ATOM 19651 H1 TIP3 5874 62.709 9.446 41.115 1.00 0.00 SOLV H ATOM 19652 H2 TIP3 5874 63.624 9.181 39.923 1.00 0.00 SOLV H ATOM 19653 OH2 TIP3 5875 62.658 7.575 52.891 1.00 0.00 SOLV O ATOM 19654 H1 TIP3 5875 61.987 8.291 52.864 1.00 0.00 SOLV H ATOM 19655 H2 TIP3 5875 63.401 7.989 52.390 1.00 0.00 SOLV H ATOM 19656 OH2 TIP3 5876 64.453 8.160 38.665 1.00 0.00 SOLV O ATOM 19657 H1 TIP3 5876 64.461 8.418 37.719 1.00 0.00 SOLV H ATOM 19658 H2 TIP3 5876 65.405 7.948 38.782 1.00 0.00 SOLV H ATOM 19659 OH2 TIP3 5877 67.808 10.161 56.449 1.00 0.00 SOLV O ATOM 19660 H1 TIP3 5877 68.493 9.567 56.115 1.00 0.00 SOLV H ATOM 19661 H2 TIP3 5877 67.203 9.511 56.849 1.00 0.00 SOLV H ATOM 19662 OH2 TIP3 5878 63.193 5.123 53.816 1.00 0.00 SOLV O ATOM 19663 H1 TIP3 5878 63.313 4.518 53.054 1.00 0.00 SOLV H ATOM 19664 H2 TIP3 5878 63.052 5.987 53.360 1.00 0.00 SOLV H ATOM 19665 OH2 TIP3 5879 63.480 3.387 51.653 1.00 0.00 SOLV O ATOM 19666 H1 TIP3 5879 64.033 3.922 51.040 1.00 0.00 SOLV H ATOM 19667 H2 TIP3 5879 62.617 3.404 51.184 1.00 0.00 SOLV H ATOM 19668 OH2 TIP3 5880 64.674 8.854 51.755 1.00 0.00 SOLV O ATOM 19669 H1 TIP3 5880 65.588 8.715 51.476 1.00 0.00 SOLV H ATOM 19670 H2 TIP3 5880 64.402 9.636 51.230 1.00 0.00 SOLV H ATOM 19671 OH2 TIP3 5881 61.663 5.801 56.057 1.00 0.00 SOLV O ATOM 19672 H1 TIP3 5881 60.839 5.292 55.898 1.00 0.00 SOLV H ATOM 19673 H2 TIP3 5881 62.115 5.709 55.192 1.00 0.00 SOLV H ATOM 19674 OH2 TIP3 5882 64.187 0.801 52.447 1.00 0.00 SOLV O ATOM 19675 H1 TIP3 5882 63.909 1.730 52.275 1.00 0.00 SOLV H ATOM 19676 H2 TIP3 5882 63.690 0.316 51.775 1.00 0.00 SOLV H ATOM 19677 OH2 TIP3 5883 65.412 4.946 55.388 1.00 0.00 SOLV O ATOM 19678 H1 TIP3 5883 64.985 4.517 56.153 1.00 0.00 SOLV H ATOM 19679 H2 TIP3 5883 64.637 5.004 54.784 1.00 0.00 SOLV H ATOM 19680 OH2 TIP3 5884 68.000 3.901 55.207 1.00 0.00 SOLV O ATOM 19681 H1 TIP3 5884 67.097 4.180 54.971 1.00 0.00 SOLV H ATOM 19682 H2 TIP3 5884 67.822 3.030 55.576 1.00 0.00 SOLV H ATOM 19683 OH2 TIP3 5885 59.522 4.112 55.755 1.00 0.00 SOLV O ATOM 19684 H1 TIP3 5885 59.513 3.308 55.190 1.00 0.00 SOLV H ATOM 19685 H2 TIP3 5885 59.553 3.718 56.650 1.00 0.00 SOLV H ATOM 19686 OH2 TIP3 5886 65.280 1.930 56.509 1.00 0.00 SOLV O ATOM 19687 H1 TIP3 5886 64.934 1.086 56.185 1.00 0.00 SOLV H ATOM 19688 H2 TIP3 5886 64.480 2.484 56.609 1.00 0.00 SOLV H ATOM 19689 OH2 TIP3 5887 64.454 18.706 39.975 1.00 0.00 SOLV O ATOM 19690 H1 TIP3 5887 65.374 18.392 39.932 1.00 0.00 SOLV H ATOM 19691 H2 TIP3 5887 64.481 19.432 39.326 1.00 0.00 SOLV H ATOM 19692 OH2 TIP3 5888 57.999 13.432 39.211 1.00 0.00 SOLV O ATOM 19693 H1 TIP3 5888 58.969 13.438 39.367 1.00 0.00 SOLV H ATOM 19694 H2 TIP3 5888 57.909 12.664 38.605 1.00 0.00 SOLV H ATOM 19695 OH2 TIP3 5889 56.897 18.589 44.506 1.00 0.00 SOLV O ATOM 19696 H1 TIP3 5889 56.312 18.229 43.804 1.00 0.00 SOLV H ATOM 19697 H2 TIP3 5889 57.055 17.780 45.037 1.00 0.00 SOLV H ATOM 19698 OH2 TIP3 5890 57.425 16.419 46.151 1.00 0.00 SOLV O ATOM 19699 H1 TIP3 5890 57.018 15.693 46.661 1.00 0.00 SOLV H ATOM 19700 H2 TIP3 5890 57.903 16.873 46.867 1.00 0.00 SOLV H ATOM 19701 OH2 TIP3 5891 57.349 9.799 48.726 1.00 0.00 SOLV O ATOM 19702 H1 TIP3 5891 57.491 9.603 47.775 1.00 0.00 SOLV H ATOM 19703 H2 TIP3 5891 58.240 9.578 49.090 1.00 0.00 SOLV H ATOM 19704 OH2 TIP3 5892 57.136 5.040 54.805 1.00 0.00 SOLV O ATOM 19705 H1 TIP3 5892 58.054 4.842 55.086 1.00 0.00 SOLV H ATOM 19706 H2 TIP3 5892 56.723 4.163 54.931 1.00 0.00 SOLV H ATOM 19707 OH2 TIP3 5893 58.317 3.421 47.688 1.00 0.00 SOLV O ATOM 19708 H1 TIP3 5893 58.723 2.547 47.838 1.00 0.00 SOLV H ATOM 19709 H2 TIP3 5893 59.050 4.018 47.931 1.00 0.00 SOLV H ATOM 19710 OH2 TIP3 5894 56.473 6.311 48.463 1.00 0.00 SOLV O ATOM 19711 H1 TIP3 5894 57.218 6.426 47.840 1.00 0.00 SOLV H ATOM 19712 H2 TIP3 5894 56.723 6.904 49.182 1.00 0.00 SOLV H ATOM 19713 OH2 TIP3 5895 56.957 2.360 42.624 1.00 0.00 SOLV O ATOM 19714 H1 TIP3 5895 56.005 2.571 42.691 1.00 0.00 SOLV H ATOM 19715 H2 TIP3 5895 57.269 3.142 42.116 1.00 0.00 SOLV H ATOM 19716 OH2 TIP3 5896 57.083 2.013 51.545 1.00 0.00 SOLV O ATOM 19717 H1 TIP3 5896 56.842 1.075 51.506 1.00 0.00 SOLV H ATOM 19718 H2 TIP3 5896 56.678 2.359 50.729 1.00 0.00 SOLV H ATOM 19719 OH2 TIP3 5897 59.156 14.914 55.175 1.00 0.00 SOLV O ATOM 19720 H1 TIP3 5897 58.258 14.927 54.793 1.00 0.00 SOLV H ATOM 19721 H2 TIP3 5897 58.998 14.511 56.037 1.00 0.00 SOLV H ATOM 19722 OH2 TIP3 5898 62.266 15.784 51.506 1.00 0.00 SOLV O ATOM 19723 H1 TIP3 5898 62.027 16.685 51.200 1.00 0.00 SOLV H ATOM 19724 H2 TIP3 5898 63.222 15.805 51.280 1.00 0.00 SOLV H ATOM 19725 OH2 TIP3 5899 66.518 17.060 54.450 1.00 0.00 SOLV O ATOM 19726 H1 TIP3 5899 66.540 16.652 55.342 1.00 0.00 SOLV H ATOM 19727 H2 TIP3 5899 67.436 16.937 54.185 1.00 0.00 SOLV H ATOM 19728 OH2 TIP3 5900 59.327 18.757 51.558 1.00 0.00 SOLV O ATOM 19729 H1 TIP3 5900 58.542 19.233 51.204 1.00 0.00 SOLV H ATOM 19730 H2 TIP3 5900 59.363 19.129 52.451 1.00 0.00 SOLV H ATOM 19731 OH2 TIP3 5901 61.931 18.388 50.748 1.00 0.00 SOLV O ATOM 19732 H1 TIP3 5901 60.985 18.559 50.959 1.00 0.00 SOLV H ATOM 19733 H2 TIP3 5901 62.027 18.871 49.902 1.00 0.00 SOLV H ATOM 19734 OH2 TIP3 5902 66.418 18.066 49.721 1.00 0.00 SOLV O ATOM 19735 H1 TIP3 5902 65.974 18.614 49.060 1.00 0.00 SOLV H ATOM 19736 H2 TIP3 5902 66.727 18.702 50.381 1.00 0.00 SOLV H ATOM 19737 OH2 TIP3 5903 58.910 17.403 48.376 1.00 0.00 SOLV O ATOM 19738 H1 TIP3 5903 58.877 16.867 49.198 1.00 0.00 SOLV H ATOM 19739 H2 TIP3 5903 59.697 16.981 47.960 1.00 0.00 SOLV H ATOM 19740 OH2 TIP3 5904 61.007 16.094 47.285 1.00 0.00 SOLV O ATOM 19741 H1 TIP3 5904 60.876 15.161 47.583 1.00 0.00 SOLV H ATOM 19742 H2 TIP3 5904 61.930 16.249 47.582 1.00 0.00 SOLV H ATOM 19743 OH2 TIP3 5905 63.640 16.399 48.226 1.00 0.00 SOLV O ATOM 19744 H1 TIP3 5905 63.757 15.453 47.995 1.00 0.00 SOLV H ATOM 19745 H2 TIP3 5905 64.015 16.378 49.130 1.00 0.00 SOLV H ATOM 19746 OH2 TIP3 5906 66.806 2.294 46.723 1.00 0.00 SOLV O ATOM 19747 H1 TIP3 5906 65.988 1.863 47.044 1.00 0.00 SOLV H ATOM 19748 H2 TIP3 5906 67.494 1.804 47.189 1.00 0.00 SOLV H ATOM 19749 OH2 TIP3 5907 59.654 0.792 44.740 1.00 0.00 SOLV O ATOM 19750 H1 TIP3 5907 58.983 0.926 44.054 1.00 0.00 SOLV H ATOM 19751 H2 TIP3 5907 59.946 -0.115 44.582 1.00 0.00 SOLV H ATOM 19752 OH2 TIP3 5908 58.562 0.837 40.949 1.00 0.00 SOLV O ATOM 19753 H1 TIP3 5908 58.891 1.518 40.326 1.00 0.00 SOLV H ATOM 19754 H2 TIP3 5908 57.935 1.355 41.491 1.00 0.00 SOLV H ATOM 19755 OH2 TIP3 5909 63.815 1.538 44.689 1.00 0.00 SOLV O ATOM 19756 H1 TIP3 5909 64.589 2.058 44.381 1.00 0.00 SOLV H ATOM 19757 H2 TIP3 5909 64.034 1.447 45.636 1.00 0.00 SOLV H ATOM 19758 OH2 TIP3 5910 58.265 16.936 41.550 1.00 0.00 SOLV O ATOM 19759 H1 TIP3 5910 57.466 16.845 40.997 1.00 0.00 SOLV H ATOM 19760 H2 TIP3 5910 58.425 17.896 41.436 1.00 0.00 SOLV H ATOM 19761 OH2 TIP3 5911 60.059 2.589 39.283 1.00 0.00 SOLV O ATOM 19762 H1 TIP3 5911 60.542 2.073 38.604 1.00 0.00 SOLV H ATOM 19763 H2 TIP3 5911 60.801 2.880 39.853 1.00 0.00 SOLV H ATOM 19764 OH2 TIP3 5912 64.973 2.911 41.607 1.00 0.00 SOLV O ATOM 19765 H1 TIP3 5912 65.414 2.249 42.169 1.00 0.00 SOLV H ATOM 19766 H2 TIP3 5912 65.156 3.717 42.137 1.00 0.00 SOLV H ATOM 19767 OH2 TIP3 5913 67.090 17.814 39.869 1.00 0.00 SOLV O ATOM 19768 H1 TIP3 5913 67.839 18.362 39.602 1.00 0.00 SOLV H ATOM 19769 H2 TIP3 5913 67.069 17.134 39.158 1.00 0.00 SOLV H ATOM 19770 OH2 TIP3 5914 59.432 1.839 54.262 1.00 0.00 SOLV O ATOM 19771 H1 TIP3 5914 58.844 1.122 53.988 1.00 0.00 SOLV H ATOM 19772 H2 TIP3 5914 60.080 1.376 54.828 1.00 0.00 SOLV H ATOM 19773 OH2 TIP3 5915 61.457 1.261 56.198 1.00 0.00 SOLV O ATOM 19774 H1 TIP3 5915 62.221 1.580 55.702 1.00 0.00 SOLV H ATOM 19775 H2 TIP3 5915 61.780 0.410 56.570 1.00 0.00 SOLV H ATOM 19776 OH2 TIP3 5916 59.994 17.547 38.397 1.00 0.00 SOLV O ATOM 19777 H1 TIP3 5916 59.784 17.441 39.336 1.00 0.00 SOLV H ATOM 19778 H2 TIP3 5916 60.804 16.989 38.308 1.00 0.00 SOLV H ATOM 19779 OH2 TIP3 5917 11.898 28.659 44.856 1.00 0.00 SOLV O ATOM 19780 H1 TIP3 5917 12.061 29.615 44.821 1.00 0.00 SOLV H ATOM 19781 H2 TIP3 5917 11.379 28.551 44.041 1.00 0.00 SOLV H ATOM 19782 OH2 TIP3 5918 11.368 27.879 48.256 1.00 0.00 SOLV O ATOM 19783 H1 TIP3 5918 11.240 27.629 49.189 1.00 0.00 SOLV H ATOM 19784 H2 TIP3 5918 10.592 27.510 47.818 1.00 0.00 SOLV H ATOM 19785 OH2 TIP3 5919 2.928 27.659 49.813 1.00 0.00 SOLV O ATOM 19786 H1 TIP3 5919 3.105 26.853 50.332 1.00 0.00 SOLV H ATOM 19787 H2 TIP3 5919 3.794 28.094 49.836 1.00 0.00 SOLV H ATOM 19788 OH2 TIP3 5920 14.696 31.410 46.730 1.00 0.00 SOLV O ATOM 19789 H1 TIP3 5920 14.164 30.732 47.165 1.00 0.00 SOLV H ATOM 19790 H2 TIP3 5920 14.953 31.980 47.481 1.00 0.00 SOLV H ATOM 19791 OH2 TIP3 5921 4.323 32.387 48.239 1.00 0.00 SOLV O ATOM 19792 H1 TIP3 5921 4.185 31.438 48.028 1.00 0.00 SOLV H ATOM 19793 H2 TIP3 5921 5.291 32.384 48.366 1.00 0.00 SOLV H ATOM 19794 OH2 TIP3 5922 1.136 25.972 43.915 1.00 0.00 SOLV O ATOM 19795 H1 TIP3 5922 1.182 26.931 43.818 1.00 0.00 SOLV H ATOM 19796 H2 TIP3 5922 0.188 25.815 43.744 1.00 0.00 SOLV H ATOM 19797 OH2 TIP3 5923 2.352 28.257 46.568 1.00 0.00 SOLV O ATOM 19798 H1 TIP3 5923 2.424 27.280 46.592 1.00 0.00 SOLV H ATOM 19799 H2 TIP3 5923 2.044 28.418 45.666 1.00 0.00 SOLV H ATOM 19800 OH2 TIP3 5924 11.928 36.297 47.084 1.00 0.00 SOLV O ATOM 19801 H1 TIP3 5924 12.320 35.627 46.491 1.00 0.00 SOLV H ATOM 19802 H2 TIP3 5924 11.439 35.749 47.710 1.00 0.00 SOLV H ATOM 19803 OH2 TIP3 5925 9.142 30.825 48.806 1.00 0.00 SOLV O ATOM 19804 H1 TIP3 5925 9.571 30.379 48.065 1.00 0.00 SOLV H ATOM 19805 H2 TIP3 5925 9.908 30.906 49.419 1.00 0.00 SOLV H ATOM 19806 OH2 TIP3 5926 17.966 22.200 49.585 1.00 0.00 SOLV O ATOM 19807 H1 TIP3 5926 18.269 22.841 50.261 1.00 0.00 SOLV H ATOM 19808 H2 TIP3 5926 18.462 22.492 48.803 1.00 0.00 SOLV H ATOM 19809 OH2 TIP3 5927 5.915 22.985 46.167 1.00 0.00 SOLV O ATOM 19810 H1 TIP3 5927 5.921 23.852 45.705 1.00 0.00 SOLV H ATOM 19811 H2 TIP3 5927 5.429 22.449 45.500 1.00 0.00 SOLV H ATOM 19812 OH2 TIP3 5928 13.634 24.085 44.920 1.00 0.00 SOLV O ATOM 19813 H1 TIP3 5928 14.084 23.496 45.562 1.00 0.00 SOLV H ATOM 19814 H2 TIP3 5928 14.308 24.105 44.227 1.00 0.00 SOLV H ATOM 19815 OH2 TIP3 5929 2.301 25.510 46.850 1.00 0.00 SOLV O ATOM 19816 H1 TIP3 5929 2.854 24.984 47.459 1.00 0.00 SOLV H ATOM 19817 H2 TIP3 5929 2.534 25.074 45.998 1.00 0.00 SOLV H ATOM 19818 OH2 TIP3 5930 7.252 27.047 46.408 1.00 0.00 SOLV O ATOM 19819 H1 TIP3 5930 7.984 26.494 46.700 1.00 0.00 SOLV H ATOM 19820 H2 TIP3 5930 6.744 26.409 45.852 1.00 0.00 SOLV H ATOM 19821 OH2 TIP3 5931 18.527 23.759 51.817 1.00 0.00 SOLV O ATOM 19822 H1 TIP3 5931 17.780 24.344 51.574 1.00 0.00 SOLV H ATOM 19823 H2 TIP3 5931 18.359 23.634 52.761 1.00 0.00 SOLV H ATOM 19824 OH2 TIP3 5932 4.521 22.038 50.322 1.00 0.00 SOLV O ATOM 19825 H1 TIP3 5932 4.167 22.601 49.607 1.00 0.00 SOLV H ATOM 19826 H2 TIP3 5932 3.829 22.157 51.006 1.00 0.00 SOLV H ATOM 19827 OH2 TIP3 5933 11.650 31.426 43.743 1.00 0.00 SOLV O ATOM 19828 H1 TIP3 5933 11.441 31.592 42.814 1.00 0.00 SOLV H ATOM 19829 H2 TIP3 5933 11.243 32.219 44.155 1.00 0.00 SOLV H ATOM 19830 OH2 TIP3 5934 7.137 29.835 50.394 1.00 0.00 SOLV O ATOM 19831 H1 TIP3 5934 6.564 30.565 50.720 1.00 0.00 SOLV H ATOM 19832 H2 TIP3 5934 7.790 30.324 49.851 1.00 0.00 SOLV H ATOM 19833 OH2 TIP3 5935 14.944 22.671 46.791 1.00 0.00 SOLV O ATOM 19834 H1 TIP3 5935 14.421 22.210 47.471 1.00 0.00 SOLV H ATOM 19835 H2 TIP3 5935 15.400 23.357 47.330 1.00 0.00 SOLV H ATOM 19836 OH2 TIP3 5936 4.078 23.747 48.167 1.00 0.00 SOLV O ATOM 19837 H1 TIP3 5936 4.691 24.269 48.729 1.00 0.00 SOLV H ATOM 19838 H2 TIP3 5936 4.702 23.421 47.482 1.00 0.00 SOLV H ATOM 19839 OH2 TIP3 5937 5.558 31.883 51.416 1.00 0.00 SOLV O ATOM 19840 H1 TIP3 5937 5.547 32.845 51.229 1.00 0.00 SOLV H ATOM 19841 H2 TIP3 5937 4.655 31.788 51.777 1.00 0.00 SOLV H ATOM 19842 OH2 TIP3 5938 1.487 31.371 41.959 1.00 0.00 SOLV O ATOM 19843 H1 TIP3 5938 0.920 31.898 41.381 1.00 0.00 SOLV H ATOM 19844 H2 TIP3 5938 1.681 31.987 42.685 1.00 0.00 SOLV H ATOM 19845 OH2 TIP3 5939 15.120 33.217 48.865 1.00 0.00 SOLV O ATOM 19846 H1 TIP3 5939 14.148 33.233 49.032 1.00 0.00 SOLV H ATOM 19847 H2 TIP3 5939 15.288 34.160 48.657 1.00 0.00 SOLV H ATOM 19848 OH2 TIP3 5940 15.417 21.347 50.476 1.00 0.00 SOLV O ATOM 19849 H1 TIP3 5940 14.714 21.721 49.918 1.00 0.00 SOLV H ATOM 19850 H2 TIP3 5940 16.231 21.648 50.019 1.00 0.00 SOLV H ATOM 19851 OH2 TIP3 5941 8.131 19.167 47.754 1.00 0.00 SOLV O ATOM 19852 H1 TIP3 5941 7.819 18.238 47.740 1.00 0.00 SOLV H ATOM 19853 H2 TIP3 5941 7.327 19.611 48.107 1.00 0.00 SOLV H ATOM 19854 OH2 TIP3 5942 13.218 34.753 45.091 1.00 0.00 SOLV O ATOM 19855 H1 TIP3 5942 13.655 33.897 44.884 1.00 0.00 SOLV H ATOM 19856 H2 TIP3 5942 14.004 35.348 45.093 1.00 0.00 SOLV H ATOM 19857 OH2 TIP3 5943 14.618 32.508 44.185 1.00 0.00 SOLV O ATOM 19858 H1 TIP3 5943 14.163 31.798 43.708 1.00 0.00 SOLV H ATOM 19859 H2 TIP3 5943 14.767 32.066 45.051 1.00 0.00 SOLV H ATOM 19860 OH2 TIP3 5944 16.169 31.193 52.516 1.00 0.00 SOLV O ATOM 19861 H1 TIP3 5944 16.120 30.616 51.723 1.00 0.00 SOLV H ATOM 19862 H2 TIP3 5944 16.241 32.080 52.102 1.00 0.00 SOLV H ATOM 19863 OH2 TIP3 5945 10.685 28.136 42.434 1.00 0.00 SOLV O ATOM 19864 H1 TIP3 5945 9.960 28.766 42.232 1.00 0.00 SOLV H ATOM 19865 H2 TIP3 5945 11.428 28.497 41.925 1.00 0.00 SOLV H ATOM 19866 OH2 TIP3 5946 10.802 26.757 39.062 1.00 0.00 SOLV O ATOM 19867 H1 TIP3 5946 10.926 26.952 40.001 1.00 0.00 SOLV H ATOM 19868 H2 TIP3 5946 10.362 25.893 39.097 1.00 0.00 SOLV H ATOM 19869 OH2 TIP3 5947 17.964 27.688 50.678 1.00 0.00 SOLV O ATOM 19870 H1 TIP3 5947 17.246 28.354 50.603 1.00 0.00 SOLV H ATOM 19871 H2 TIP3 5947 18.575 28.017 49.982 1.00 0.00 SOLV H ATOM 19872 OH2 TIP3 5948 13.943 26.510 52.511 1.00 0.00 SOLV O ATOM 19873 H1 TIP3 5948 13.921 27.281 53.108 1.00 0.00 SOLV H ATOM 19874 H2 TIP3 5948 13.236 26.750 51.879 1.00 0.00 SOLV H ATOM 19875 OH2 TIP3 5949 5.701 28.937 45.083 1.00 0.00 SOLV O ATOM 19876 H1 TIP3 5949 5.421 28.448 44.289 1.00 0.00 SOLV H ATOM 19877 H2 TIP3 5949 6.285 28.285 45.519 1.00 0.00 SOLV H ATOM 19878 OH2 TIP3 5950 7.096 32.542 47.869 1.00 0.00 SOLV O ATOM 19879 H1 TIP3 5950 7.101 32.430 46.903 1.00 0.00 SOLV H ATOM 19880 H2 TIP3 5950 7.805 31.933 48.162 1.00 0.00 SOLV H ATOM 19881 OH2 TIP3 5951 6.252 27.568 49.054 1.00 0.00 SOLV O ATOM 19882 H1 TIP3 5951 6.386 27.699 48.099 1.00 0.00 SOLV H ATOM 19883 H2 TIP3 5951 6.499 28.442 49.419 1.00 0.00 SOLV H ATOM 19884 OH2 TIP3 5952 12.509 33.310 49.528 1.00 0.00 SOLV O ATOM 19885 H1 TIP3 5952 12.341 34.056 50.136 1.00 0.00 SOLV H ATOM 19886 H2 TIP3 5952 11.997 32.582 49.922 1.00 0.00 SOLV H ATOM 19887 OH2 TIP3 5953 7.197 32.219 53.574 1.00 0.00 SOLV O ATOM 19888 H1 TIP3 5953 6.548 32.826 53.989 1.00 0.00 SOLV H ATOM 19889 H2 TIP3 5953 6.690 31.946 52.781 1.00 0.00 SOLV H ATOM 19890 OH2 TIP3 5954 13.329 27.813 41.306 1.00 0.00 SOLV O ATOM 19891 H1 TIP3 5954 13.863 28.376 41.920 1.00 0.00 SOLV H ATOM 19892 H2 TIP3 5954 13.558 28.329 40.526 1.00 0.00 SOLV H ATOM 19893 OH2 TIP3 5955 3.933 28.104 52.985 1.00 0.00 SOLV O ATOM 19894 H1 TIP3 5955 4.013 28.928 53.504 1.00 0.00 SOLV H ATOM 19895 H2 TIP3 5955 2.977 28.107 52.774 1.00 0.00 SOLV H ATOM 19896 OH2 TIP3 5956 10.729 33.961 44.374 1.00 0.00 SOLV O ATOM 19897 H1 TIP3 5956 11.597 34.324 44.648 1.00 0.00 SOLV H ATOM 19898 H2 TIP3 5956 10.319 34.718 43.937 1.00 0.00 SOLV H ATOM 19899 OH2 TIP3 5957 5.151 34.013 54.276 1.00 0.00 SOLV O ATOM 19900 H1 TIP3 5957 5.105 34.305 53.345 1.00 0.00 SOLV H ATOM 19901 H2 TIP3 5957 4.205 33.920 54.501 1.00 0.00 SOLV H ATOM 19902 OH2 TIP3 5958 16.638 19.192 40.672 1.00 0.00 SOLV O ATOM 19903 H1 TIP3 5958 15.752 19.451 40.998 1.00 0.00 SOLV H ATOM 19904 H2 TIP3 5958 16.999 20.059 40.400 1.00 0.00 SOLV H ATOM 19905 OH2 TIP3 5959 1.413 30.400 51.842 1.00 0.00 SOLV O ATOM 19906 H1 TIP3 5959 0.864 30.489 51.048 1.00 0.00 SOLV H ATOM 19907 H2 TIP3 5959 1.271 29.464 52.077 1.00 0.00 SOLV H ATOM 19908 OH2 TIP3 5960 0.977 33.372 47.737 1.00 0.00 SOLV O ATOM 19909 H1 TIP3 5960 1.600 32.705 48.037 1.00 0.00 SOLV H ATOM 19910 H2 TIP3 5960 0.306 33.368 48.444 1.00 0.00 SOLV H ATOM 19911 OH2 TIP3 5961 18.787 34.043 54.406 1.00 0.00 SOLV O ATOM 19912 H1 TIP3 5961 18.602 33.088 54.327 1.00 0.00 SOLV H ATOM 19913 H2 TIP3 5961 17.901 34.369 54.683 1.00 0.00 SOLV H ATOM 19914 OH2 TIP3 5962 9.615 33.337 52.967 1.00 0.00 SOLV O ATOM 19915 H1 TIP3 5962 9.600 34.192 53.453 1.00 0.00 SOLV H ATOM 19916 H2 TIP3 5962 8.732 32.979 53.211 1.00 0.00 SOLV H ATOM 19917 OH2 TIP3 5963 10.478 37.045 42.844 1.00 0.00 SOLV O ATOM 19918 H1 TIP3 5963 10.146 37.126 41.933 1.00 0.00 SOLV H ATOM 19919 H2 TIP3 5963 10.148 37.867 43.255 1.00 0.00 SOLV H ATOM 19920 OH2 TIP3 5964 3.868 35.917 44.767 1.00 0.00 SOLV O ATOM 19921 H1 TIP3 5964 4.009 35.574 45.677 1.00 0.00 SOLV H ATOM 19922 H2 TIP3 5964 3.301 35.213 44.391 1.00 0.00 SOLV H ATOM 19923 OH2 TIP3 5965 13.172 36.421 39.642 1.00 0.00 SOLV O ATOM 19924 H1 TIP3 5965 13.684 35.644 39.335 1.00 0.00 SOLV H ATOM 19925 H2 TIP3 5965 13.237 36.320 40.617 1.00 0.00 SOLV H ATOM 19926 OH2 TIP3 5966 13.018 36.242 42.406 1.00 0.00 SOLV O ATOM 19927 H1 TIP3 5966 12.075 36.456 42.595 1.00 0.00 SOLV H ATOM 19928 H2 TIP3 5966 13.251 35.737 43.203 1.00 0.00 SOLV H ATOM 19929 OH2 TIP3 5967 15.643 25.259 54.544 1.00 0.00 SOLV O ATOM 19930 H1 TIP3 5967 15.078 25.601 53.831 1.00 0.00 SOLV H ATOM 19931 H2 TIP3 5967 15.766 24.329 54.265 1.00 0.00 SOLV H ATOM 19932 OH2 TIP3 5968 3.173 32.171 52.806 1.00 0.00 SOLV O ATOM 19933 H1 TIP3 5968 3.498 31.585 53.519 1.00 0.00 SOLV H ATOM 19934 H2 TIP3 5968 2.451 31.605 52.433 1.00 0.00 SOLV H ATOM 19935 OH2 TIP3 5969 5.690 20.185 48.637 1.00 0.00 SOLV O ATOM 19936 H1 TIP3 5969 4.901 20.134 48.057 1.00 0.00 SOLV H ATOM 19937 H2 TIP3 5969 5.361 20.842 49.286 1.00 0.00 SOLV H ATOM 19938 OH2 TIP3 5970 10.490 19.908 52.005 1.00 0.00 SOLV O ATOM 19939 H1 TIP3 5970 10.971 19.368 52.670 1.00 0.00 SOLV H ATOM 19940 H2 TIP3 5970 9.555 19.752 52.249 1.00 0.00 SOLV H ATOM 19941 OH2 TIP3 5971 13.433 23.768 52.808 1.00 0.00 SOLV O ATOM 19942 H1 TIP3 5971 12.731 23.657 53.492 1.00 0.00 SOLV H ATOM 19943 H2 TIP3 5971 13.425 24.729 52.651 1.00 0.00 SOLV H ATOM 19944 OH2 TIP3 5972 9.974 22.374 39.413 1.00 0.00 SOLV O ATOM 19945 H1 TIP3 5972 9.330 22.282 40.145 1.00 0.00 SOLV H ATOM 19946 H2 TIP3 5972 9.554 21.768 38.767 1.00 0.00 SOLV H ATOM 19947 OH2 TIP3 5973 5.791 25.077 49.912 1.00 0.00 SOLV O ATOM 19948 H1 TIP3 5973 5.081 25.229 50.574 1.00 0.00 SOLV H ATOM 19949 H2 TIP3 5973 5.965 26.008 49.626 1.00 0.00 SOLV H ATOM 19950 OH2 TIP3 5974 5.848 25.356 44.886 1.00 0.00 SOLV O ATOM 19951 H1 TIP3 5974 4.898 25.105 44.821 1.00 0.00 SOLV H ATOM 19952 H2 TIP3 5974 5.925 25.714 43.963 1.00 0.00 SOLV H ATOM 19953 OH2 TIP3 5975 11.274 25.744 43.472 1.00 0.00 SOLV O ATOM 19954 H1 TIP3 5975 11.049 26.648 43.136 1.00 0.00 SOLV H ATOM 19955 H2 TIP3 5975 11.939 25.481 42.798 1.00 0.00 SOLV H ATOM 19956 OH2 TIP3 5976 10.377 25.926 54.770 1.00 0.00 SOLV O ATOM 19957 H1 TIP3 5976 9.865 25.175 55.150 1.00 0.00 SOLV H ATOM 19958 H2 TIP3 5976 11.231 25.783 55.202 1.00 0.00 SOLV H ATOM 19959 OH2 TIP3 5977 3.568 25.406 51.481 1.00 0.00 SOLV O ATOM 19960 H1 TIP3 5977 3.550 25.933 52.294 1.00 0.00 SOLV H ATOM 19961 H2 TIP3 5977 3.192 24.553 51.777 1.00 0.00 SOLV H ATOM 19962 OH2 TIP3 5978 6.774 22.971 38.108 1.00 0.00 SOLV O ATOM 19963 H1 TIP3 5978 6.366 22.771 38.972 1.00 0.00 SOLV H ATOM 19964 H2 TIP3 5978 6.266 23.767 37.855 1.00 0.00 SOLV H ATOM 19965 OH2 TIP3 5979 0.505 22.697 45.168 1.00 0.00 SOLV O ATOM 19966 H1 TIP3 5979 0.859 22.587 46.077 1.00 0.00 SOLV H ATOM 19967 H2 TIP3 5979 0.933 21.961 44.713 1.00 0.00 SOLV H ATOM 19968 OH2 TIP3 5980 1.554 23.228 41.293 1.00 0.00 SOLV O ATOM 19969 H1 TIP3 5980 1.851 22.985 40.398 1.00 0.00 SOLV H ATOM 19970 H2 TIP3 5980 1.759 24.178 41.258 1.00 0.00 SOLV H ATOM 19971 OH2 TIP3 5981 11.590 26.513 50.727 1.00 0.00 SOLV O ATOM 19972 H1 TIP3 5981 11.758 25.752 50.160 1.00 0.00 SOLV H ATOM 19973 H2 TIP3 5981 10.935 26.113 51.342 1.00 0.00 SOLV H ATOM 19974 OH2 TIP3 5982 8.662 23.138 46.051 1.00 0.00 SOLV O ATOM 19975 H1 TIP3 5982 7.701 22.996 46.200 1.00 0.00 SOLV H ATOM 19976 H2 TIP3 5982 9.067 22.355 46.485 1.00 0.00 SOLV H ATOM 19977 OH2 TIP3 5983 3.371 24.349 44.605 1.00 0.00 SOLV O ATOM 19978 H1 TIP3 5983 2.725 24.814 44.032 1.00 0.00 SOLV H ATOM 19979 H2 TIP3 5983 3.596 23.557 44.083 1.00 0.00 SOLV H ATOM 19980 OH2 TIP3 5984 12.859 22.178 48.892 1.00 0.00 SOLV O ATOM 19981 H1 TIP3 5984 12.355 22.361 49.712 1.00 0.00 SOLV H ATOM 19982 H2 TIP3 5984 12.159 21.810 48.335 1.00 0.00 SOLV H ATOM 19983 OH2 TIP3 5985 16.155 37.709 55.411 1.00 0.00 SOLV O ATOM 19984 H1 TIP3 5985 16.399 38.172 54.590 1.00 0.00 SOLV H ATOM 19985 H2 TIP3 5985 16.904 37.945 55.995 1.00 0.00 SOLV H ATOM 19986 OH2 TIP3 5986 3.948 30.379 54.773 1.00 0.00 SOLV O ATOM 19987 H1 TIP3 5986 4.564 30.365 55.535 1.00 0.00 SOLV H ATOM 19988 H2 TIP3 5986 3.084 30.407 55.236 1.00 0.00 SOLV H ATOM 19989 OH2 TIP3 5987 9.806 25.096 47.325 1.00 0.00 SOLV O ATOM 19990 H1 TIP3 5987 9.229 24.387 46.943 1.00 0.00 SOLV H ATOM 19991 H2 TIP3 5987 9.496 25.017 48.258 1.00 0.00 SOLV H ATOM 19992 OH2 TIP3 5988 4.565 21.749 44.076 1.00 0.00 SOLV O ATOM 19993 H1 TIP3 5988 3.949 21.055 44.399 1.00 0.00 SOLV H ATOM 19994 H2 TIP3 5988 5.022 21.272 43.372 1.00 0.00 SOLV H ATOM 19995 OH2 TIP3 5989 8.516 24.614 49.750 1.00 0.00 SOLV O ATOM 19996 H1 TIP3 5989 7.551 24.777 49.834 1.00 0.00 SOLV H ATOM 19997 H2 TIP3 5989 8.825 24.780 50.662 1.00 0.00 SOLV H ATOM 19998 OH2 TIP3 5990 8.802 30.025 41.739 1.00 0.00 SOLV O ATOM 19999 H1 TIP3 5990 8.049 29.562 41.300 1.00 0.00 SOLV H ATOM 20000 H2 TIP3 5990 8.380 30.276 42.597 1.00 0.00 SOLV H ATOM 20001 OH2 TIP3 5991 16.037 29.612 50.282 1.00 0.00 SOLV O ATOM 20002 H1 TIP3 5991 16.596 30.212 49.740 1.00 0.00 SOLV H ATOM 20003 H2 TIP3 5991 15.221 29.544 49.738 1.00 0.00 SOLV H ATOM 20004 OH2 TIP3 5992 12.597 22.914 39.790 1.00 0.00 SOLV O ATOM 20005 H1 TIP3 5992 11.629 22.788 39.638 1.00 0.00 SOLV H ATOM 20006 H2 TIP3 5992 12.634 23.754 40.280 1.00 0.00 SOLV H ATOM 20007 OH2 TIP3 5993 10.301 30.580 52.828 1.00 0.00 SOLV O ATOM 20008 H1 TIP3 5993 10.261 30.231 53.726 1.00 0.00 SOLV H ATOM 20009 H2 TIP3 5993 10.070 31.518 52.960 1.00 0.00 SOLV H ATOM 20010 OH2 TIP3 5994 13.206 25.087 41.655 1.00 0.00 SOLV O ATOM 20011 H1 TIP3 5994 14.077 24.824 42.011 1.00 0.00 SOLV H ATOM 20012 H2 TIP3 5994 13.338 26.052 41.506 1.00 0.00 SOLV H ATOM 20013 OH2 TIP3 5995 4.384 29.742 47.514 1.00 0.00 SOLV O ATOM 20014 H1 TIP3 5995 4.830 29.564 46.665 1.00 0.00 SOLV H ATOM 20015 H2 TIP3 5995 3.561 29.223 47.375 1.00 0.00 SOLV H ATOM 20016 OH2 TIP3 5996 10.867 31.611 40.764 1.00 0.00 SOLV O ATOM 20017 H1 TIP3 5996 10.503 32.525 40.869 1.00 0.00 SOLV H ATOM 20018 H2 TIP3 5996 10.100 31.075 41.066 1.00 0.00 SOLV H ATOM 20019 OH2 TIP3 5997 1.181 27.764 52.663 1.00 0.00 SOLV O ATOM 20020 H1 TIP3 5997 0.866 27.480 53.534 1.00 0.00 SOLV H ATOM 20021 H2 TIP3 5997 0.500 27.350 52.076 1.00 0.00 SOLV H ATOM 20022 OH2 TIP3 5998 8.171 27.688 54.897 1.00 0.00 SOLV O ATOM 20023 H1 TIP3 5998 7.538 27.288 54.273 1.00 0.00 SOLV H ATOM 20024 H2 TIP3 5998 8.983 27.178 54.699 1.00 0.00 SOLV H ATOM 20025 OH2 TIP3 5999 12.430 32.861 52.878 1.00 0.00 SOLV O ATOM 20026 H1 TIP3 5999 11.484 33.074 52.783 1.00 0.00 SOLV H ATOM 20027 H2 TIP3 5999 12.598 33.211 53.780 1.00 0.00 SOLV H ATOM 20028 OH2 TIP3 6000 17.978 25.255 41.263 1.00 0.00 SOLV O ATOM 20029 H1 TIP3 6000 17.494 25.065 40.448 1.00 0.00 SOLV H ATOM 20030 H2 TIP3 6000 17.932 26.222 41.302 1.00 0.00 SOLV H ATOM 20031 OH2 TIP3 6001 18.421 31.151 54.054 1.00 0.00 SOLV O ATOM 20032 H1 TIP3 6001 17.506 31.282 53.720 1.00 0.00 SOLV H ATOM 20033 H2 TIP3 6001 18.886 30.986 53.203 1.00 0.00 SOLV H ATOM 20034 OH2 TIP3 6002 16.632 33.681 41.625 1.00 0.00 SOLV O ATOM 20035 H1 TIP3 6002 15.956 33.403 42.267 1.00 0.00 SOLV H ATOM 20036 H2 TIP3 6002 16.098 33.832 40.835 1.00 0.00 SOLV H ATOM 20037 OH2 TIP3 6003 13.811 29.020 48.770 1.00 0.00 SOLV O ATOM 20038 H1 TIP3 6003 12.879 28.910 48.485 1.00 0.00 SOLV H ATOM 20039 H2 TIP3 6003 14.123 28.119 48.633 1.00 0.00 SOLV H ATOM 20040 OH2 TIP3 6004 6.467 33.160 44.888 1.00 0.00 SOLV O ATOM 20041 H1 TIP3 6004 6.640 34.054 44.531 1.00 0.00 SOLV H ATOM 20042 H2 TIP3 6004 5.514 33.084 44.753 1.00 0.00 SOLV H ATOM 20043 OH2 TIP3 6005 2.132 27.810 39.393 1.00 0.00 SOLV O ATOM 20044 H1 TIP3 6005 2.922 28.207 39.828 1.00 0.00 SOLV H ATOM 20045 H2 TIP3 6005 1.472 28.391 39.794 1.00 0.00 SOLV H ATOM 20046 OH2 TIP3 6006 7.549 30.748 44.025 1.00 0.00 SOLV O ATOM 20047 H1 TIP3 6006 7.276 31.626 44.358 1.00 0.00 SOLV H ATOM 20048 H2 TIP3 6006 6.879 30.166 44.434 1.00 0.00 SOLV H ATOM 20049 OH2 TIP3 6007 8.293 34.991 50.708 1.00 0.00 SOLV O ATOM 20050 H1 TIP3 6007 8.918 35.722 50.508 1.00 0.00 SOLV H ATOM 20051 H2 TIP3 6007 8.851 34.406 51.243 1.00 0.00 SOLV H ATOM 20052 OH2 TIP3 6008 6.442 35.894 43.819 1.00 0.00 SOLV O ATOM 20053 H1 TIP3 6008 5.506 36.030 44.084 1.00 0.00 SOLV H ATOM 20054 H2 TIP3 6008 6.847 36.726 44.154 1.00 0.00 SOLV H ATOM 20055 OH2 TIP3 6009 11.414 30.747 50.353 1.00 0.00 SOLV O ATOM 20056 H1 TIP3 6009 11.064 30.638 51.267 1.00 0.00 SOLV H ATOM 20057 H2 TIP3 6009 12.272 30.308 50.424 1.00 0.00 SOLV H ATOM 20058 OH2 TIP3 6010 13.844 31.869 40.007 1.00 0.00 SOLV O ATOM 20059 H1 TIP3 6010 14.106 31.273 40.740 1.00 0.00 SOLV H ATOM 20060 H2 TIP3 6010 12.876 31.873 40.093 1.00 0.00 SOLV H ATOM 20061 OH2 TIP3 6011 14.473 35.343 52.637 1.00 0.00 SOLV O ATOM 20062 H1 TIP3 6011 13.625 35.023 52.272 1.00 0.00 SOLV H ATOM 20063 H2 TIP3 6011 14.614 36.144 52.084 1.00 0.00 SOLV H ATOM 20064 OH2 TIP3 6012 18.989 36.886 39.634 1.00 0.00 SOLV O ATOM 20065 H1 TIP3 6012 19.495 36.572 40.413 1.00 0.00 SOLV H ATOM 20066 H2 TIP3 6012 18.129 37.124 40.017 1.00 0.00 SOLV H ATOM 20067 OH2 TIP3 6013 2.572 22.699 52.197 1.00 0.00 SOLV O ATOM 20068 H1 TIP3 6013 1.626 22.693 51.985 1.00 0.00 SOLV H ATOM 20069 H2 TIP3 6013 2.628 21.976 52.848 1.00 0.00 SOLV H ATOM 20070 OH2 TIP3 6014 2.105 34.390 50.654 1.00 0.00 SOLV O ATOM 20071 H1 TIP3 6014 2.700 33.644 50.861 1.00 0.00 SOLV H ATOM 20072 H2 TIP3 6014 2.418 35.071 51.271 1.00 0.00 SOLV H ATOM 20073 OH2 TIP3 6015 8.135 33.006 37.992 1.00 0.00 SOLV O ATOM 20074 H1 TIP3 6015 8.127 32.120 37.579 1.00 0.00 SOLV H ATOM 20075 H2 TIP3 6015 7.659 32.828 38.829 1.00 0.00 SOLV H ATOM 20076 OH2 TIP3 6016 6.871 32.718 40.415 1.00 0.00 SOLV O ATOM 20077 H1 TIP3 6016 7.268 32.157 41.094 1.00 0.00 SOLV H ATOM 20078 H2 TIP3 6016 7.003 33.621 40.785 1.00 0.00 SOLV H ATOM 20079 OH2 TIP3 6017 3.323 29.855 40.687 1.00 0.00 SOLV O ATOM 20080 H1 TIP3 6017 2.677 30.293 41.282 1.00 0.00 SOLV H ATOM 20081 H2 TIP3 6017 3.828 30.631 40.391 1.00 0.00 SOLV H ATOM 20082 OH2 TIP3 6018 11.440 22.425 51.295 1.00 0.00 SOLV O ATOM 20083 H1 TIP3 6018 12.205 22.523 51.888 1.00 0.00 SOLV H ATOM 20084 H2 TIP3 6018 11.084 21.548 51.561 1.00 0.00 SOLV H ATOM 20085 OH2 TIP3 6019 12.253 21.784 42.602 1.00 0.00 SOLV O ATOM 20086 H1 TIP3 6019 12.339 22.066 41.674 1.00 0.00 SOLV H ATOM 20087 H2 TIP3 6019 12.494 22.591 43.079 1.00 0.00 SOLV H ATOM 20088 OH2 TIP3 6020 9.866 34.114 41.058 1.00 0.00 SOLV O ATOM 20089 H1 TIP3 6020 8.950 34.396 41.253 1.00 0.00 SOLV H ATOM 20090 H2 TIP3 6020 10.221 34.952 40.721 1.00 0.00 SOLV H ATOM 20091 OH2 TIP3 6021 9.482 23.683 43.462 1.00 0.00 SOLV O ATOM 20092 H1 TIP3 6021 9.855 24.582 43.370 1.00 0.00 SOLV H ATOM 20093 H2 TIP3 6021 8.965 23.739 44.287 1.00 0.00 SOLV H ATOM 20094 OH2 TIP3 6022 9.998 24.876 52.165 1.00 0.00 SOLV O ATOM 20095 H1 TIP3 6022 10.056 25.104 53.115 1.00 0.00 SOLV H ATOM 20096 H2 TIP3 6022 10.324 23.957 52.147 1.00 0.00 SOLV H ATOM 20097 OH2 TIP3 6023 9.866 20.719 43.758 1.00 0.00 SOLV O ATOM 20098 H1 TIP3 6023 9.777 21.441 44.399 1.00 0.00 SOLV H ATOM 20099 H2 TIP3 6023 10.698 20.997 43.315 1.00 0.00 SOLV H ATOM 20100 OH2 TIP3 6024 7.381 35.214 41.356 1.00 0.00 SOLV O ATOM 20101 H1 TIP3 6024 7.329 36.071 40.877 1.00 0.00 SOLV H ATOM 20102 H2 TIP3 6024 7.018 35.471 42.235 1.00 0.00 SOLV H ATOM 20103 OH2 TIP3 6025 5.777 22.396 40.642 1.00 0.00 SOLV O ATOM 20104 H1 TIP3 6025 5.628 23.250 41.080 1.00 0.00 SOLV H ATOM 20105 H2 TIP3 6025 6.664 22.157 40.990 1.00 0.00 SOLV H ATOM 20106 OH2 TIP3 6026 15.923 22.794 53.217 1.00 0.00 SOLV O ATOM 20107 H1 TIP3 6026 14.977 23.023 53.073 1.00 0.00 SOLV H ATOM 20108 H2 TIP3 6026 16.058 22.226 52.441 1.00 0.00 SOLV H ATOM 20109 OH2 TIP3 6027 4.306 32.199 39.586 1.00 0.00 SOLV O ATOM 20110 H1 TIP3 6027 5.125 32.561 39.982 1.00 0.00 SOLV H ATOM 20111 H2 TIP3 6027 4.711 31.608 38.916 1.00 0.00 SOLV H ATOM 20112 OH2 TIP3 6028 1.839 25.010 39.055 1.00 0.00 SOLV O ATOM 20113 H1 TIP3 6028 2.251 25.869 39.267 1.00 0.00 SOLV H ATOM 20114 H2 TIP3 6028 1.658 25.100 38.103 1.00 0.00 SOLV H ATOM 20115 OH2 TIP3 6029 15.785 35.912 48.818 1.00 0.00 SOLV O ATOM 20116 H1 TIP3 6029 15.642 36.611 48.138 1.00 0.00 SOLV H ATOM 20117 H2 TIP3 6029 16.766 35.942 48.897 1.00 0.00 SOLV H ATOM 20118 OH2 TIP3 6030 3.145 20.037 47.532 1.00 0.00 SOLV O ATOM 20119 H1 TIP3 6030 3.066 19.862 46.568 1.00 0.00 SOLV H ATOM 20120 H2 TIP3 6030 2.843 19.179 47.908 1.00 0.00 SOLV H ATOM 20121 OH2 TIP3 6031 2.102 33.958 43.569 1.00 0.00 SOLV O ATOM 20122 H1 TIP3 6031 1.375 34.159 44.178 1.00 0.00 SOLV H ATOM 20123 H2 TIP3 6031 1.939 34.589 42.831 1.00 0.00 SOLV H ATOM 20124 OH2 TIP3 6032 1.841 36.729 55.166 1.00 0.00 SOLV O ATOM 20125 H1 TIP3 6032 2.316 36.778 56.022 1.00 0.00 SOLV H ATOM 20126 H2 TIP3 6032 1.917 35.769 55.013 1.00 0.00 SOLV H ATOM 20127 OH2 TIP3 6033 5.748 35.181 56.699 1.00 0.00 SOLV O ATOM 20128 H1 TIP3 6033 6.640 34.879 56.916 1.00 0.00 SOLV H ATOM 20129 H2 TIP3 6033 5.607 34.749 55.832 1.00 0.00 SOLV H ATOM 20130 OH2 TIP3 6034 10.158 34.862 37.953 1.00 0.00 SOLV O ATOM 20131 H1 TIP3 6034 9.502 34.128 38.019 1.00 0.00 SOLV H ATOM 20132 H2 TIP3 6034 10.940 34.387 37.600 1.00 0.00 SOLV H ATOM 20133 OH2 TIP3 6035 12.537 33.671 55.498 1.00 0.00 SOLV O ATOM 20134 H1 TIP3 6035 12.218 32.886 55.998 1.00 0.00 SOLV H ATOM 20135 H2 TIP3 6035 13.250 34.002 56.080 1.00 0.00 SOLV H ATOM 20136 OH2 TIP3 6036 14.592 34.248 38.536 1.00 0.00 SOLV O ATOM 20137 H1 TIP3 6036 14.495 33.321 38.843 1.00 0.00 SOLV H ATOM 20138 H2 TIP3 6036 15.403 34.234 38.015 1.00 0.00 SOLV H ATOM 20139 OH2 TIP3 6037 1.401 30.367 55.815 1.00 0.00 SOLV O ATOM 20140 H1 TIP3 6037 1.440 29.407 55.619 1.00 0.00 SOLV H ATOM 20141 H2 TIP3 6037 0.450 30.534 55.708 1.00 0.00 SOLV H ATOM 20142 OH2 TIP3 6038 5.597 30.283 38.199 1.00 0.00 SOLV O ATOM 20143 H1 TIP3 6038 5.811 29.712 38.965 1.00 0.00 SOLV H ATOM 20144 H2 TIP3 6038 6.480 30.357 37.777 1.00 0.00 SOLV H ATOM 20145 OH2 TIP3 6039 7.896 30.461 55.547 1.00 0.00 SOLV O ATOM 20146 H1 TIP3 6039 7.700 30.956 54.721 1.00 0.00 SOLV H ATOM 20147 H2 TIP3 6039 8.024 29.545 55.224 1.00 0.00 SOLV H ATOM 20148 OH2 TIP3 6040 11.253 31.726 37.990 1.00 0.00 SOLV O ATOM 20149 H1 TIP3 6040 11.003 31.653 38.929 1.00 0.00 SOLV H ATOM 20150 H2 TIP3 6040 10.996 30.842 37.659 1.00 0.00 SOLV H ATOM 20151 OH2 TIP3 6041 13.615 30.302 53.157 1.00 0.00 SOLV O ATOM 20152 H1 TIP3 6041 14.516 30.650 53.004 1.00 0.00 SOLV H ATOM 20153 H2 TIP3 6041 13.088 31.115 53.014 1.00 0.00 SOLV H ATOM 20154 OH2 TIP3 6042 1.687 27.667 55.598 1.00 0.00 SOLV O ATOM 20155 H1 TIP3 6042 2.229 26.955 55.228 1.00 0.00 SOLV H ATOM 20156 H2 TIP3 6042 2.018 27.699 56.521 1.00 0.00 SOLV H ATOM 20157 OH2 TIP3 6043 6.769 28.654 40.450 1.00 0.00 SOLV O ATOM 20158 H1 TIP3 6043 6.206 28.086 41.030 1.00 0.00 SOLV H ATOM 20159 H2 TIP3 6043 7.171 27.938 39.913 1.00 0.00 SOLV H ATOM 20160 OH2 TIP3 6044 6.174 26.502 53.002 1.00 0.00 SOLV O ATOM 20161 H1 TIP3 6044 5.429 27.130 52.878 1.00 0.00 SOLV H ATOM 20162 H2 TIP3 6044 6.867 26.899 52.422 1.00 0.00 SOLV H ATOM 20163 OH2 TIP3 6045 8.069 26.990 38.702 1.00 0.00 SOLV O ATOM 20164 H1 TIP3 6045 7.794 27.167 37.784 1.00 0.00 SOLV H ATOM 20165 H2 TIP3 6045 9.015 27.180 38.656 1.00 0.00 SOLV H ATOM 20166 OH2 TIP3 6046 11.415 29.027 56.340 1.00 0.00 SOLV O ATOM 20167 H1 TIP3 6046 11.974 28.511 55.743 1.00 0.00 SOLV H ATOM 20168 H2 TIP3 6046 10.974 28.328 56.860 1.00 0.00 SOLV H ATOM 20169 OH2 TIP3 6047 6.700 23.994 53.822 1.00 0.00 SOLV O ATOM 20170 H1 TIP3 6047 6.752 23.385 53.056 1.00 0.00 SOLV H ATOM 20171 H2 TIP3 6047 6.501 24.855 53.385 1.00 0.00 SOLV H ATOM 20172 OH2 TIP3 6048 6.953 22.335 51.539 1.00 0.00 SOLV O ATOM 20173 H1 TIP3 6048 7.472 22.711 50.817 1.00 0.00 SOLV H ATOM 20174 H2 TIP3 6048 6.062 22.268 51.128 1.00 0.00 SOLV H ATOM 20175 OH2 TIP3 6049 8.162 27.661 51.681 1.00 0.00 SOLV O ATOM 20176 H1 TIP3 6049 9.099 27.788 51.513 1.00 0.00 SOLV H ATOM 20177 H2 TIP3 6049 7.765 28.444 51.238 1.00 0.00 SOLV H ATOM 20178 OH2 TIP3 6050 13.087 25.411 56.673 1.00 0.00 SOLV O ATOM 20179 H1 TIP3 6050 13.048 24.481 56.960 1.00 0.00 SOLV H ATOM 20180 H2 TIP3 6050 13.722 25.351 55.943 1.00 0.00 SOLV H ATOM 20181 OH2 TIP3 6051 14.166 28.327 54.980 1.00 0.00 SOLV O ATOM 20182 H1 TIP3 6051 13.807 29.083 54.459 1.00 0.00 SOLV H ATOM 20183 H2 TIP3 6051 15.120 28.450 54.791 1.00 0.00 SOLV H ATOM 20184 OH2 TIP3 6052 5.019 24.634 56.053 1.00 0.00 SOLV O ATOM 20185 H1 TIP3 6052 4.259 24.049 55.856 1.00 0.00 SOLV H ATOM 20186 H2 TIP3 6052 5.524 24.577 55.218 1.00 0.00 SOLV H ATOM 20187 OH2 TIP3 6053 7.665 19.583 51.983 1.00 0.00 SOLV O ATOM 20188 H1 TIP3 6053 7.332 20.490 51.846 1.00 0.00 SOLV H ATOM 20189 H2 TIP3 6053 6.955 19.049 51.564 1.00 0.00 SOLV H ATOM 20190 OH2 TIP3 6054 8.911 23.736 55.446 1.00 0.00 SOLV O ATOM 20191 H1 TIP3 6054 8.442 23.385 56.231 1.00 0.00 SOLV H ATOM 20192 H2 TIP3 6054 8.148 23.771 54.827 1.00 0.00 SOLV H ATOM 20193 OH2 TIP3 6055 11.582 23.239 54.681 1.00 0.00 SOLV O ATOM 20194 H1 TIP3 6055 10.680 23.148 55.049 1.00 0.00 SOLV H ATOM 20195 H2 TIP3 6055 12.101 22.638 55.259 1.00 0.00 SOLV H ATOM 20196 OH2 TIP3 6056 13.309 21.855 56.338 1.00 0.00 SOLV O ATOM 20197 H1 TIP3 6056 13.294 20.875 56.250 1.00 0.00 SOLV H ATOM 20198 H2 TIP3 6056 13.055 21.976 57.275 1.00 0.00 SOLV H ATOM 20199 OH2 TIP3 6057 2.976 22.782 55.691 1.00 0.00 SOLV O ATOM 20200 H1 TIP3 6057 2.888 21.977 55.139 1.00 0.00 SOLV H ATOM 20201 H2 TIP3 6057 3.161 22.368 56.562 1.00 0.00 SOLV H ATOM 20202 OH2 TIP3 6058 7.824 19.018 54.675 1.00 0.00 SOLV O ATOM 20203 H1 TIP3 6058 8.368 18.205 54.617 1.00 0.00 SOLV H ATOM 20204 H2 TIP3 6058 7.693 19.204 53.725 1.00 0.00 SOLV H ATOM 20205 OH2 TIP3 6059 8.420 20.657 56.774 1.00 0.00 SOLV O ATOM 20206 H1 TIP3 6059 8.271 20.093 55.982 1.00 0.00 SOLV H ATOM 20207 H2 TIP3 6059 7.722 21.336 56.671 1.00 0.00 SOLV H ATOM 20208 OH2 TIP3 6060 7.838 37.612 40.007 1.00 0.00 SOLV O ATOM 20209 H1 TIP3 6060 8.766 37.315 39.966 1.00 0.00 SOLV H ATOM 20210 H2 TIP3 6060 7.859 38.315 39.330 1.00 0.00 SOLV H ATOM 20211 OH2 TIP3 6061 1.693 32.530 38.827 1.00 0.00 SOLV O ATOM 20212 H1 TIP3 6061 2.576 32.426 39.242 1.00 0.00 SOLV H ATOM 20213 H2 TIP3 6061 1.529 31.640 38.474 1.00 0.00 SOLV H ATOM 20214 OH2 TIP3 6062 1.112 35.530 46.132 1.00 0.00 SOLV O ATOM 20215 H1 TIP3 6062 1.054 34.662 46.597 1.00 0.00 SOLV H ATOM 20216 H2 TIP3 6062 1.669 36.015 46.769 1.00 0.00 SOLV H ATOM 20217 OH2 TIP3 6063 18.455 36.161 49.339 1.00 0.00 SOLV O ATOM 20218 H1 TIP3 6063 18.502 36.364 50.290 1.00 0.00 SOLV H ATOM 20219 H2 TIP3 6063 19.282 36.549 49.005 1.00 0.00 SOLV H ATOM 20220 OH2 TIP3 6064 17.908 35.912 52.133 1.00 0.00 SOLV O ATOM 20221 H1 TIP3 6064 17.383 35.171 51.766 1.00 0.00 SOLV H ATOM 20222 H2 TIP3 6064 18.458 35.427 52.770 1.00 0.00 SOLV H ATOM 20223 OH2 TIP3 6065 16.405 31.588 56.895 1.00 0.00 SOLV O ATOM 20224 H1 TIP3 6065 15.550 31.754 57.343 1.00 0.00 SOLV H ATOM 20225 H2 TIP3 6065 16.940 32.341 57.224 1.00 0.00 SOLV H ATOM 20226 OH2 TIP3 6066 18.574 28.089 43.843 1.00 0.00 SOLV O ATOM 20227 H1 TIP3 6066 17.609 27.941 43.885 1.00 0.00 SOLV H ATOM 20228 H2 TIP3 6066 18.785 28.217 44.784 1.00 0.00 SOLV H ATOM 20229 OH2 TIP3 6067 18.224 30.922 49.269 1.00 0.00 SOLV O ATOM 20230 H1 TIP3 6067 18.759 30.240 48.819 1.00 0.00 SOLV H ATOM 20231 H2 TIP3 6067 18.538 31.748 48.841 1.00 0.00 SOLV H ATOM 20232 OH2 TIP3 6068 16.323 33.707 51.369 1.00 0.00 SOLV O ATOM 20233 H1 TIP3 6068 15.569 34.186 51.766 1.00 0.00 SOLV H ATOM 20234 H2 TIP3 6068 16.009 33.551 50.453 1.00 0.00 SOLV H ATOM 20235 OH2 TIP3 6069 16.266 26.597 44.639 1.00 0.00 SOLV O ATOM 20236 H1 TIP3 6069 15.940 25.748 44.312 1.00 0.00 SOLV H ATOM 20237 H2 TIP3 6069 15.985 26.595 45.558 1.00 0.00 SOLV H ATOM 20238 OH2 TIP3 6070 1.083 29.565 48.957 1.00 0.00 SOLV O ATOM 20239 H1 TIP3 6070 1.187 29.282 48.032 1.00 0.00 SOLV H ATOM 20240 H2 TIP3 6070 1.775 29.014 49.379 1.00 0.00 SOLV H ATOM 20241 OH2 TIP3 6071 16.865 28.635 54.506 1.00 0.00 SOLV O ATOM 20242 H1 TIP3 6071 17.461 27.862 54.386 1.00 0.00 SOLV H ATOM 20243 H2 TIP3 6071 17.339 29.342 54.039 1.00 0.00 SOLV H ATOM 20244 OH2 TIP3 6072 18.201 26.278 54.550 1.00 0.00 SOLV O ATOM 20245 H1 TIP3 6072 17.320 25.852 54.552 1.00 0.00 SOLV H ATOM 20246 H2 TIP3 6072 18.781 25.502 54.725 1.00 0.00 SOLV H ATOM 20247 OH2 TIP3 6073 16.254 22.552 37.468 1.00 0.00 SOLV O ATOM 20248 H1 TIP3 6073 16.667 22.246 38.302 1.00 0.00 SOLV H ATOM 20249 H2 TIP3 6073 15.338 22.217 37.555 1.00 0.00 SOLV H ATOM 20250 OH2 TIP3 6074 15.679 24.181 42.921 1.00 0.00 SOLV O ATOM 20251 H1 TIP3 6074 15.908 23.214 42.940 1.00 0.00 SOLV H ATOM 20252 H2 TIP3 6074 16.515 24.529 42.562 1.00 0.00 SOLV H ATOM 20253 OH2 TIP3 6075 16.043 24.716 48.356 1.00 0.00 SOLV O ATOM 20254 H1 TIP3 6075 17.000 24.880 48.211 1.00 0.00 SOLV H ATOM 20255 H2 TIP3 6075 16.000 24.883 49.313 1.00 0.00 SOLV H ATOM 20256 OH2 TIP3 6076 16.403 25.485 51.118 1.00 0.00 SOLV O ATOM 20257 H1 TIP3 6076 15.612 25.866 51.536 1.00 0.00 SOLV H ATOM 20258 H2 TIP3 6076 16.968 26.279 50.991 1.00 0.00 SOLV H ATOM 20259 OH2 TIP3 6077 0.931 24.598 55.337 1.00 0.00 SOLV O ATOM 20260 H1 TIP3 6077 1.706 23.994 55.386 1.00 0.00 SOLV H ATOM 20261 H2 TIP3 6077 0.252 23.962 55.043 1.00 0.00 SOLV H ATOM 20262 OH2 TIP3 6078 18.577 19.657 56.423 1.00 0.00 SOLV O ATOM 20263 H1 TIP3 6078 19.212 18.958 56.150 1.00 0.00 SOLV H ATOM 20264 H2 TIP3 6078 18.674 20.312 55.708 1.00 0.00 SOLV H ATOM 20265 OH2 TIP3 6079 16.338 21.526 43.018 1.00 0.00 SOLV O ATOM 20266 H1 TIP3 6079 16.525 21.123 43.894 1.00 0.00 SOLV H ATOM 20267 H2 TIP3 6079 15.656 20.905 42.685 1.00 0.00 SOLV H ATOM 20268 OH2 TIP3 6080 1.570 22.317 47.685 1.00 0.00 SOLV O ATOM 20269 H1 TIP3 6080 2.049 21.463 47.727 1.00 0.00 SOLV H ATOM 20270 H2 TIP3 6080 2.291 22.935 47.890 1.00 0.00 SOLV H ATOM 20271 OH2 TIP3 6081 0.402 26.745 48.487 1.00 0.00 SOLV O ATOM 20272 H1 TIP3 6081 0.841 26.331 47.723 1.00 0.00 SOLV H ATOM 20273 H2 TIP3 6081 1.180 27.086 48.964 1.00 0.00 SOLV H ATOM 20274 OH2 TIP3 6082 18.096 21.562 54.435 1.00 0.00 SOLV O ATOM 20275 H1 TIP3 6082 17.258 22.062 54.416 1.00 0.00 SOLV H ATOM 20276 H2 TIP3 6082 17.883 20.868 53.778 1.00 0.00 SOLV H ATOM 20277 OH2 TIP3 6083 17.840 21.470 39.547 1.00 0.00 SOLV O ATOM 20278 H1 TIP3 6083 18.266 20.815 38.951 1.00 0.00 SOLV H ATOM 20279 H2 TIP3 6083 18.613 21.954 39.900 1.00 0.00 SOLV H ATOM 20280 OH2 TIP3 6084 1.268 20.888 42.767 1.00 0.00 SOLV O ATOM 20281 H1 TIP3 6084 0.301 20.973 42.797 1.00 0.00 SOLV H ATOM 20282 H2 TIP3 6084 1.497 21.737 42.329 1.00 0.00 SOLV H ATOM 20283 OH2 TIP3 6085 15.208 36.527 44.774 1.00 0.00 SOLV O ATOM 20284 H1 TIP3 6085 15.918 36.502 44.092 1.00 0.00 SOLV H ATOM 20285 H2 TIP3 6085 15.652 36.999 45.498 1.00 0.00 SOLV H ATOM 20286 OH2 TIP3 6086 0.594 20.178 51.058 1.00 0.00 SOLV O ATOM 20287 H1 TIP3 6086 -0.302 19.962 51.376 1.00 0.00 SOLV H ATOM 20288 H2 TIP3 6086 0.414 20.883 50.426 1.00 0.00 SOLV H ATOM 20289 OH2 TIP3 6087 2.375 33.853 55.272 1.00 0.00 SOLV O ATOM 20290 H1 TIP3 6087 2.146 33.093 54.716 1.00 0.00 SOLV H ATOM 20291 H2 TIP3 6087 2.068 33.538 56.153 1.00 0.00 SOLV H ATOM 20292 OH2 TIP3 6088 5.660 34.629 51.464 1.00 0.00 SOLV O ATOM 20293 H1 TIP3 6088 5.410 35.538 51.192 1.00 0.00 SOLV H ATOM 20294 H2 TIP3 6088 6.616 34.686 51.252 1.00 0.00 SOLV H ATOM 20295 OH2 TIP3 6089 9.689 35.780 54.273 1.00 0.00 SOLV O ATOM 20296 H1 TIP3 6089 9.835 35.510 55.207 1.00 0.00 SOLV H ATOM 20297 H2 TIP3 6089 10.514 36.284 54.106 1.00 0.00 SOLV H ATOM 20298 OH2 TIP3 6090 11.992 37.228 53.886 1.00 0.00 SOLV O ATOM 20299 H1 TIP3 6090 12.719 36.712 53.513 1.00 0.00 SOLV H ATOM 20300 H2 TIP3 6090 12.413 37.563 54.709 1.00 0.00 SOLV H ATOM 20301 OH2 TIP3 6091 17.136 19.521 52.758 1.00 0.00 SOLV O ATOM 20302 H1 TIP3 6091 16.322 19.469 52.225 1.00 0.00 SOLV H ATOM 20303 H2 TIP3 6091 17.482 18.605 52.621 1.00 0.00 SOLV H ATOM 20304 OH2 TIP3 6092 2.862 37.547 51.635 1.00 0.00 SOLV O ATOM 20305 H1 TIP3 6092 2.062 37.977 51.258 1.00 0.00 SOLV H ATOM 20306 H2 TIP3 6092 2.829 37.885 52.540 1.00 0.00 SOLV H ATOM 20307 OH2 TIP3 6093 5.427 37.237 50.727 1.00 0.00 SOLV O ATOM 20308 H1 TIP3 6093 4.485 37.399 50.969 1.00 0.00 SOLV H ATOM 20309 H2 TIP3 6093 5.492 37.713 49.875 1.00 0.00 SOLV H ATOM 20310 OH2 TIP3 6094 9.998 36.998 49.858 1.00 0.00 SOLV O ATOM 20311 H1 TIP3 6094 9.502 37.408 49.124 1.00 0.00 SOLV H ATOM 20312 H2 TIP3 6094 10.107 37.755 50.471 1.00 0.00 SOLV H ATOM 20313 OH2 TIP3 6095 12.341 35.771 50.841 1.00 0.00 SOLV O ATOM 20314 H1 TIP3 6095 11.527 36.193 50.499 1.00 0.00 SOLV H ATOM 20315 H2 TIP3 6095 13.005 36.459 50.660 1.00 0.00 SOLV H ATOM 20316 OH2 TIP3 6096 14.746 37.408 50.873 1.00 0.00 SOLV O ATOM 20317 H1 TIP3 6096 14.886 38.346 50.619 1.00 0.00 SOLV H ATOM 20318 H2 TIP3 6096 15.153 36.939 50.110 1.00 0.00 SOLV H ATOM 20319 OH2 TIP3 6097 2.476 36.355 48.389 1.00 0.00 SOLV O ATOM 20320 H1 TIP3 6097 2.098 35.803 49.101 1.00 0.00 SOLV H ATOM 20321 H2 TIP3 6097 3.221 35.791 48.098 1.00 0.00 SOLV H ATOM 20322 OH2 TIP3 6098 4.477 34.910 47.258 1.00 0.00 SOLV O ATOM 20323 H1 TIP3 6098 4.322 33.987 47.575 1.00 0.00 SOLV H ATOM 20324 H2 TIP3 6098 5.401 35.055 47.541 1.00 0.00 SOLV H ATOM 20325 OH2 TIP3 6099 7.132 35.274 48.198 1.00 0.00 SOLV O ATOM 20326 H1 TIP3 6099 7.231 34.325 47.972 1.00 0.00 SOLV H ATOM 20327 H2 TIP3 6099 7.441 35.244 49.124 1.00 0.00 SOLV H ATOM 20328 OH2 TIP3 6100 10.323 21.049 46.993 1.00 0.00 SOLV O ATOM 20329 H1 TIP3 6100 9.778 20.306 47.313 1.00 0.00 SOLV H ATOM 20330 H2 TIP3 6100 11.150 20.596 46.732 1.00 0.00 SOLV H ATOM 20331 OH2 TIP3 6101 15.476 19.231 47.085 1.00 0.00 SOLV O ATOM 20332 H1 TIP3 6101 16.102 19.796 46.582 1.00 0.00 SOLV H ATOM 20333 H2 TIP3 6101 14.619 19.624 46.847 1.00 0.00 SOLV H ATOM 20334 OH2 TIP3 6102 17.235 20.400 45.342 1.00 0.00 SOLV O ATOM 20335 H1 TIP3 6102 17.969 19.794 45.103 1.00 0.00 SOLV H ATOM 20336 H2 TIP3 6102 17.728 21.235 45.499 1.00 0.00 SOLV H ATOM 20337 OH2 TIP3 6103 2.925 19.691 44.775 1.00 0.00 SOLV O ATOM 20338 H1 TIP3 6103 2.268 19.802 44.059 1.00 0.00 SOLV H ATOM 20339 H2 TIP3 6103 3.184 18.746 44.672 1.00 0.00 SOLV H ATOM 20340 OH2 TIP3 6104 1.781 19.323 40.507 1.00 0.00 SOLV O ATOM 20341 H1 TIP3 6104 2.255 19.969 39.956 1.00 0.00 SOLV H ATOM 20342 H2 TIP3 6104 1.665 19.815 41.344 1.00 0.00 SOLV H ATOM 20343 OH2 TIP3 6105 7.526 19.387 44.821 1.00 0.00 SOLV O ATOM 20344 H1 TIP3 6105 8.339 19.774 44.458 1.00 0.00 SOLV H ATOM 20345 H2 TIP3 6105 7.675 19.438 45.778 1.00 0.00 SOLV H ATOM 20346 OH2 TIP3 6106 12.798 19.816 46.185 1.00 0.00 SOLV O ATOM 20347 H1 TIP3 6106 13.134 19.450 45.354 1.00 0.00 SOLV H ATOM 20348 H2 TIP3 6106 12.489 18.990 46.629 1.00 0.00 SOLV H ATOM 20349 OH2 TIP3 6107 14.312 19.893 42.092 1.00 0.00 SOLV O ATOM 20350 H1 TIP3 6107 13.516 20.426 42.281 1.00 0.00 SOLV H ATOM 20351 H2 TIP3 6107 13.959 18.986 42.230 1.00 0.00 SOLV H ATOM 20352 OH2 TIP3 6108 1.713 35.676 41.471 1.00 0.00 SOLV O ATOM 20353 H1 TIP3 6108 1.053 35.256 40.912 1.00 0.00 SOLV H ATOM 20354 H2 TIP3 6108 1.738 36.592 41.112 1.00 0.00 SOLV H ATOM 20355 OH2 TIP3 6109 3.664 21.259 39.110 1.00 0.00 SOLV O ATOM 20356 H1 TIP3 6109 4.168 20.697 38.487 1.00 0.00 SOLV H ATOM 20357 H2 TIP3 6109 4.381 21.587 39.693 1.00 0.00 SOLV H ATOM 20358 OH2 TIP3 6110 8.354 22.001 41.635 1.00 0.00 SOLV O ATOM 20359 H1 TIP3 6110 8.614 21.236 42.173 1.00 0.00 SOLV H ATOM 20360 H2 TIP3 6110 8.715 22.726 42.193 1.00 0.00 SOLV H ATOM 20361 OH2 TIP3 6111 10.416 36.677 39.943 1.00 0.00 SOLV O ATOM 20362 H1 TIP3 6111 11.374 36.837 39.832 1.00 0.00 SOLV H ATOM 20363 H2 TIP3 6111 10.256 36.123 39.141 1.00 0.00 SOLV H ATOM 20364 OH2 TIP3 6112 17.037 36.244 42.748 1.00 0.00 SOLV O ATOM 20365 H1 TIP3 6112 17.223 35.375 42.354 1.00 0.00 SOLV H ATOM 20366 H2 TIP3 6112 16.946 36.818 41.966 1.00 0.00 SOLV H ATOM 20367 OH2 TIP3 6113 2.778 20.344 54.355 1.00 0.00 SOLV O ATOM 20368 H1 TIP3 6113 2.205 19.576 54.571 1.00 0.00 SOLV H ATOM 20369 H2 TIP3 6113 3.596 20.063 54.819 1.00 0.00 SOLV H ATOM 20370 OH2 TIP3 6114 4.893 19.587 56.036 1.00 0.00 SOLV O ATOM 20371 H1 TIP3 6114 5.765 19.223 55.799 1.00 0.00 SOLV H ATOM 20372 H2 TIP3 6114 4.489 18.814 56.487 1.00 0.00 SOLV H ATOM 20373 OH2 TIP3 6115 3.476 36.491 38.460 1.00 0.00 SOLV O ATOM 20374 H1 TIP3 6115 3.252 36.295 39.379 1.00 0.00 SOLV H ATOM 20375 H2 TIP3 6115 4.237 35.879 38.308 1.00 0.00 SOLV H ATOM 20376 OH2 TIP3 6116 13.436 19.085 56.158 1.00 0.00 SOLV O ATOM 20377 H1 TIP3 6116 13.295 18.553 56.973 1.00 0.00 SOLV H ATOM 20378 H2 TIP3 6116 14.389 18.918 55.990 1.00 0.00 SOLV H ATOM 20379 OH2 TIP3 6117 16.215 35.015 54.843 1.00 0.00 SOLV O ATOM 20380 H1 TIP3 6117 15.592 35.010 54.087 1.00 0.00 SOLV H ATOM 20381 H2 TIP3 6117 16.175 35.960 55.099 1.00 0.00 SOLV H ATOM 20382 OH2 TIP3 6118 29.689 28.206 48.389 1.00 0.00 SOLV O ATOM 20383 H1 TIP3 6118 29.779 27.865 49.306 1.00 0.00 SOLV H ATOM 20384 H2 TIP3 6118 29.833 27.388 47.893 1.00 0.00 SOLV H ATOM 20385 OH2 TIP3 6119 22.170 27.851 49.895 1.00 0.00 SOLV O ATOM 20386 H1 TIP3 6119 22.079 26.942 50.244 1.00 0.00 SOLV H ATOM 20387 H2 TIP3 6119 22.551 28.290 50.675 1.00 0.00 SOLV H ATOM 20388 OH2 TIP3 6120 23.021 32.323 48.154 1.00 0.00 SOLV O ATOM 20389 H1 TIP3 6120 22.810 31.416 47.864 1.00 0.00 SOLV H ATOM 20390 H2 TIP3 6120 23.962 32.222 48.395 1.00 0.00 SOLV H ATOM 20391 OH2 TIP3 6121 20.027 25.707 43.754 1.00 0.00 SOLV O ATOM 20392 H1 TIP3 6121 19.603 26.587 43.771 1.00 0.00 SOLV H ATOM 20393 H2 TIP3 6121 19.361 25.193 43.286 1.00 0.00 SOLV H ATOM 20394 OH2 TIP3 6122 20.182 28.051 46.180 1.00 0.00 SOLV O ATOM 20395 H1 TIP3 6122 20.454 27.114 46.300 1.00 0.00 SOLV H ATOM 20396 H2 TIP3 6122 20.959 28.432 45.752 1.00 0.00 SOLV H ATOM 20397 OH2 TIP3 6123 28.076 30.587 48.950 1.00 0.00 SOLV O ATOM 20398 H1 TIP3 6123 28.475 29.797 48.534 1.00 0.00 SOLV H ATOM 20399 H2 TIP3 6123 28.857 30.887 49.464 1.00 0.00 SOLV H ATOM 20400 OH2 TIP3 6124 36.856 22.118 49.584 1.00 0.00 SOLV O ATOM 20401 H1 TIP3 6124 37.076 22.773 50.281 1.00 0.00 SOLV H ATOM 20402 H2 TIP3 6124 37.433 22.405 48.854 1.00 0.00 SOLV H ATOM 20403 OH2 TIP3 6125 31.006 25.035 48.684 1.00 0.00 SOLV O ATOM 20404 H1 TIP3 6125 31.411 24.183 48.939 1.00 0.00 SOLV H ATOM 20405 H2 TIP3 6125 31.203 25.031 47.725 1.00 0.00 SOLV H ATOM 20406 OH2 TIP3 6126 20.947 25.452 46.694 1.00 0.00 SOLV O ATOM 20407 H1 TIP3 6126 21.657 24.879 47.041 1.00 0.00 SOLV H ATOM 20408 H2 TIP3 6126 20.680 24.998 45.873 1.00 0.00 SOLV H ATOM 20409 OH2 TIP3 6127 37.220 23.665 51.843 1.00 0.00 SOLV O ATOM 20410 H1 TIP3 6127 36.529 24.353 51.739 1.00 0.00 SOLV H ATOM 20411 H2 TIP3 6127 37.629 23.906 52.694 1.00 0.00 SOLV H ATOM 20412 OH2 TIP3 6128 23.284 22.139 50.267 1.00 0.00 SOLV O ATOM 20413 H1 TIP3 6128 22.765 22.797 49.787 1.00 0.00 SOLV H ATOM 20414 H2 TIP3 6128 22.717 22.051 51.061 1.00 0.00 SOLV H ATOM 20415 OH2 TIP3 6129 25.900 29.742 50.365 1.00 0.00 SOLV O ATOM 20416 H1 TIP3 6129 25.381 30.497 50.724 1.00 0.00 SOLV H ATOM 20417 H2 TIP3 6129 26.648 30.211 49.937 1.00 0.00 SOLV H ATOM 20418 OH2 TIP3 6130 33.462 23.132 46.800 1.00 0.00 SOLV O ATOM 20419 H1 TIP3 6130 33.637 22.256 47.147 1.00 0.00 SOLV H ATOM 20420 H2 TIP3 6130 34.102 23.675 47.303 1.00 0.00 SOLV H ATOM 20421 OH2 TIP3 6131 22.961 23.811 47.928 1.00 0.00 SOLV O ATOM 20422 H1 TIP3 6131 23.425 24.451 48.519 1.00 0.00 SOLV H ATOM 20423 H2 TIP3 6131 23.600 23.082 47.927 1.00 0.00 SOLV H ATOM 20424 OH2 TIP3 6132 24.399 31.844 51.420 1.00 0.00 SOLV O ATOM 20425 H1 TIP3 6132 24.402 32.811 51.257 1.00 0.00 SOLV H ATOM 20426 H2 TIP3 6132 23.463 31.734 51.693 1.00 0.00 SOLV H ATOM 20427 OH2 TIP3 6133 33.937 33.493 48.807 1.00 0.00 SOLV O ATOM 20428 H1 TIP3 6133 33.013 33.435 49.117 1.00 0.00 SOLV H ATOM 20429 H2 TIP3 6133 34.103 34.456 48.745 1.00 0.00 SOLV H ATOM 20430 OH2 TIP3 6134 34.282 21.203 50.366 1.00 0.00 SOLV O ATOM 20431 H1 TIP3 6134 33.600 21.762 49.951 1.00 0.00 SOLV H ATOM 20432 H2 TIP3 6134 35.113 21.563 49.991 1.00 0.00 SOLV H ATOM 20433 OH2 TIP3 6135 26.907 19.178 47.654 1.00 0.00 SOLV O ATOM 20434 H1 TIP3 6135 26.656 18.236 47.741 1.00 0.00 SOLV H ATOM 20435 H2 TIP3 6135 26.151 19.611 48.105 1.00 0.00 SOLV H ATOM 20436 OH2 TIP3 6136 35.024 31.179 52.488 1.00 0.00 SOLV O ATOM 20437 H1 TIP3 6136 35.005 30.579 51.707 1.00 0.00 SOLV H ATOM 20438 H2 TIP3 6136 35.177 32.049 52.062 1.00 0.00 SOLV H ATOM 20439 OH2 TIP3 6137 36.806 27.671 50.624 1.00 0.00 SOLV O ATOM 20440 H1 TIP3 6137 36.105 28.356 50.577 1.00 0.00 SOLV H ATOM 20441 H2 TIP3 6137 37.402 27.969 49.908 1.00 0.00 SOLV H ATOM 20442 OH2 TIP3 6138 32.771 26.442 52.530 1.00 0.00 SOLV O ATOM 20443 H1 TIP3 6138 32.728 27.105 53.249 1.00 0.00 SOLV H ATOM 20444 H2 TIP3 6138 32.174 26.841 51.874 1.00 0.00 SOLV H ATOM 20445 OH2 TIP3 6139 25.817 31.991 48.162 1.00 0.00 SOLV O ATOM 20446 H1 TIP3 6139 25.815 31.663 47.254 1.00 0.00 SOLV H ATOM 20447 H2 TIP3 6139 26.645 31.584 48.494 1.00 0.00 SOLV H ATOM 20448 OH2 TIP3 6140 25.282 27.863 48.461 1.00 0.00 SOLV O ATOM 20449 H1 TIP3 6140 25.890 28.220 47.791 1.00 0.00 SOLV H ATOM 20450 H2 TIP3 6140 25.436 28.484 49.207 1.00 0.00 SOLV H ATOM 20451 OH2 TIP3 6141 31.253 33.317 49.107 1.00 0.00 SOLV O ATOM 20452 H1 TIP3 6141 31.115 34.073 49.722 1.00 0.00 SOLV H ATOM 20453 H2 TIP3 6141 30.900 32.571 49.641 1.00 0.00 SOLV H ATOM 20454 OH2 TIP3 6142 26.087 32.230 53.557 1.00 0.00 SOLV O ATOM 20455 H1 TIP3 6142 25.446 32.844 53.979 1.00 0.00 SOLV H ATOM 20456 H2 TIP3 6142 25.561 31.945 52.782 1.00 0.00 SOLV H ATOM 20457 OH2 TIP3 6143 22.812 28.293 52.801 1.00 0.00 SOLV O ATOM 20458 H1 TIP3 6143 22.906 29.041 53.427 1.00 0.00 SOLV H ATOM 20459 H2 TIP3 6143 21.843 28.147 52.850 1.00 0.00 SOLV H ATOM 20460 OH2 TIP3 6144 24.067 33.987 54.260 1.00 0.00 SOLV O ATOM 20461 H1 TIP3 6144 24.018 34.335 53.349 1.00 0.00 SOLV H ATOM 20462 H2 TIP3 6144 23.118 33.863 54.486 1.00 0.00 SOLV H ATOM 20463 OH2 TIP3 6145 35.218 19.223 40.889 1.00 0.00 SOLV O ATOM 20464 H1 TIP3 6145 34.322 19.609 41.004 1.00 0.00 SOLV H ATOM 20465 H2 TIP3 6145 35.731 20.037 40.833 1.00 0.00 SOLV H ATOM 20466 OH2 TIP3 6146 19.557 30.490 51.696 1.00 0.00 SOLV O ATOM 20467 H1 TIP3 6146 19.065 30.591 50.853 1.00 0.00 SOLV H ATOM 20468 H2 TIP3 6146 19.723 29.529 51.741 1.00 0.00 SOLV H ATOM 20469 OH2 TIP3 6147 19.469 33.291 48.344 1.00 0.00 SOLV O ATOM 20470 H1 TIP3 6147 20.420 33.220 48.516 1.00 0.00 SOLV H ATOM 20471 H2 TIP3 6147 19.219 34.008 48.950 1.00 0.00 SOLV H ATOM 20472 OH2 TIP3 6148 37.652 34.007 54.393 1.00 0.00 SOLV O ATOM 20473 H1 TIP3 6148 37.480 33.048 54.334 1.00 0.00 SOLV H ATOM 20474 H2 TIP3 6148 36.769 34.329 54.679 1.00 0.00 SOLV H ATOM 20475 OH2 TIP3 6149 28.461 33.400 52.937 1.00 0.00 SOLV O ATOM 20476 H1 TIP3 6149 28.443 34.226 53.471 1.00 0.00 SOLV H ATOM 20477 H2 TIP3 6149 27.597 33.004 53.193 1.00 0.00 SOLV H ATOM 20478 OH2 TIP3 6150 34.571 25.263 54.631 1.00 0.00 SOLV O ATOM 20479 H1 TIP3 6150 33.970 25.532 53.922 1.00 0.00 SOLV H ATOM 20480 H2 TIP3 6150 34.661 24.303 54.448 1.00 0.00 SOLV H ATOM 20481 OH2 TIP3 6151 21.832 31.888 52.369 1.00 0.00 SOLV O ATOM 20482 H1 TIP3 6151 22.025 31.522 53.254 1.00 0.00 SOLV H ATOM 20483 H2 TIP3 6151 20.999 31.427 52.139 1.00 0.00 SOLV H ATOM 20484 OH2 TIP3 6152 24.491 20.249 48.628 1.00 0.00 SOLV O ATOM 20485 H1 TIP3 6152 23.670 20.127 48.108 1.00 0.00 SOLV H ATOM 20486 H2 TIP3 6152 24.170 20.875 49.309 1.00 0.00 SOLV H ATOM 20487 OH2 TIP3 6153 29.365 19.830 52.026 1.00 0.00 SOLV O ATOM 20488 H1 TIP3 6153 29.869 19.320 52.701 1.00 0.00 SOLV H ATOM 20489 H2 TIP3 6153 28.440 19.684 52.303 1.00 0.00 SOLV H ATOM 20490 OH2 TIP3 6154 32.241 23.691 52.660 1.00 0.00 SOLV O ATOM 20491 H1 TIP3 6154 31.593 23.622 53.399 1.00 0.00 SOLV H ATOM 20492 H2 TIP3 6154 32.327 24.657 52.548 1.00 0.00 SOLV H ATOM 20493 OH2 TIP3 6155 28.542 22.435 39.363 1.00 0.00 SOLV O ATOM 20494 H1 TIP3 6155 28.718 21.608 39.812 1.00 0.00 SOLV H ATOM 20495 H2 TIP3 6155 28.546 22.150 38.441 1.00 0.00 SOLV H ATOM 20496 OH2 TIP3 6156 24.460 25.422 49.543 1.00 0.00 SOLV O ATOM 20497 H1 TIP3 6156 23.945 25.561 50.362 1.00 0.00 SOLV H ATOM 20498 H2 TIP3 6156 24.692 26.342 49.285 1.00 0.00 SOLV H ATOM 20499 OH2 TIP3 6157 29.277 25.911 54.771 1.00 0.00 SOLV O ATOM 20500 H1 TIP3 6157 28.795 25.126 55.116 1.00 0.00 SOLV H ATOM 20501 H2 TIP3 6157 30.134 25.792 55.226 1.00 0.00 SOLV H ATOM 20502 OH2 TIP3 6158 31.560 24.961 45.925 1.00 0.00 SOLV O ATOM 20503 H1 TIP3 6158 31.387 25.136 44.975 1.00 0.00 SOLV H ATOM 20504 H2 TIP3 6158 32.191 24.210 45.863 1.00 0.00 SOLV H ATOM 20505 OH2 TIP3 6159 22.311 25.423 51.410 1.00 0.00 SOLV O ATOM 20506 H1 TIP3 6159 22.767 25.737 52.209 1.00 0.00 SOLV H ATOM 20507 H2 TIP3 6159 21.946 24.569 51.718 1.00 0.00 SOLV H ATOM 20508 OH2 TIP3 6160 25.365 22.682 37.959 1.00 0.00 SOLV O ATOM 20509 H1 TIP3 6160 25.039 22.790 38.869 1.00 0.00 SOLV H ATOM 20510 H2 TIP3 6160 24.806 23.285 37.448 1.00 0.00 SOLV H ATOM 20511 OH2 TIP3 6161 18.980 22.502 45.334 1.00 0.00 SOLV O ATOM 20512 H1 TIP3 6161 19.527 22.464 46.146 1.00 0.00 SOLV H ATOM 20513 H2 TIP3 6161 19.564 22.150 44.645 1.00 0.00 SOLV H ATOM 20514 OH2 TIP3 6162 19.831 23.170 40.615 1.00 0.00 SOLV O ATOM 20515 H1 TIP3 6162 20.700 23.383 40.248 1.00 0.00 SOLV H ATOM 20516 H2 TIP3 6162 19.444 24.044 40.809 1.00 0.00 SOLV H ATOM 20517 OH2 TIP3 6163 30.163 26.763 50.616 1.00 0.00 SOLV O ATOM 20518 H1 TIP3 6163 30.562 26.141 49.963 1.00 0.00 SOLV H ATOM 20519 H2 TIP3 6163 29.676 26.120 51.176 1.00 0.00 SOLV H ATOM 20520 OH2 TIP3 6164 31.724 22.323 49.190 1.00 0.00 SOLV O ATOM 20521 H1 TIP3 6164 31.024 22.301 49.875 1.00 0.00 SOLV H ATOM 20522 H2 TIP3 6164 31.316 21.851 48.454 1.00 0.00 SOLV H ATOM 20523 OH2 TIP3 6165 34.976 37.723 55.409 1.00 0.00 SOLV O ATOM 20524 H1 TIP3 6165 35.235 38.231 54.621 1.00 0.00 SOLV H ATOM 20525 H2 TIP3 6165 35.695 37.972 56.025 1.00 0.00 SOLV H ATOM 20526 OH2 TIP3 6166 22.640 30.370 54.735 1.00 0.00 SOLV O ATOM 20527 H1 TIP3 6166 23.322 30.397 55.434 1.00 0.00 SOLV H ATOM 20528 H2 TIP3 6166 21.830 30.386 55.281 1.00 0.00 SOLV H ATOM 20529 OH2 TIP3 6167 23.718 21.339 43.465 1.00 0.00 SOLV O ATOM 20530 H1 TIP3 6167 22.870 21.008 43.823 1.00 0.00 SOLV H ATOM 20531 H2 TIP3 6167 24.328 20.675 43.817 1.00 0.00 SOLV H ATOM 20532 OH2 TIP3 6168 27.043 24.110 49.938 1.00 0.00 SOLV O ATOM 20533 H1 TIP3 6168 26.347 24.781 50.000 1.00 0.00 SOLV H ATOM 20534 H2 TIP3 6168 27.732 24.453 50.540 1.00 0.00 SOLV H ATOM 20535 OH2 TIP3 6169 34.834 29.580 50.282 1.00 0.00 SOLV O ATOM 20536 H1 TIP3 6169 35.393 30.110 49.672 1.00 0.00 SOLV H ATOM 20537 H2 TIP3 6169 34.044 29.373 49.733 1.00 0.00 SOLV H ATOM 20538 OH2 TIP3 6170 29.079 30.547 52.746 1.00 0.00 SOLV O ATOM 20539 H1 TIP3 6170 29.414 30.198 53.584 1.00 0.00 SOLV H ATOM 20540 H2 TIP3 6170 28.883 31.473 52.963 1.00 0.00 SOLV H ATOM 20541 OH2 TIP3 6171 22.975 29.571 47.449 1.00 0.00 SOLV O ATOM 20542 H1 TIP3 6171 23.882 29.401 47.167 1.00 0.00 SOLV H ATOM 20543 H2 TIP3 6171 22.879 28.948 48.189 1.00 0.00 SOLV H ATOM 20544 OH2 TIP3 6172 20.058 27.912 52.795 1.00 0.00 SOLV O ATOM 20545 H1 TIP3 6172 19.977 27.568 53.705 1.00 0.00 SOLV H ATOM 20546 H2 TIP3 6172 19.367 27.411 52.332 1.00 0.00 SOLV H ATOM 20547 OH2 TIP3 6173 27.155 27.679 54.928 1.00 0.00 SOLV O ATOM 20548 H1 TIP3 6173 26.640 27.271 54.220 1.00 0.00 SOLV H ATOM 20549 H2 TIP3 6173 28.010 27.205 54.823 1.00 0.00 SOLV H ATOM 20550 OH2 TIP3 6174 31.253 32.966 52.847 1.00 0.00 SOLV O ATOM 20551 H1 TIP3 6174 30.299 33.144 52.762 1.00 0.00 SOLV H ATOM 20552 H2 TIP3 6174 31.405 33.255 53.774 1.00 0.00 SOLV H ATOM 20553 OH2 TIP3 6175 37.259 31.157 54.054 1.00 0.00 SOLV O ATOM 20554 H1 TIP3 6175 36.340 31.255 53.725 1.00 0.00 SOLV H ATOM 20555 H2 TIP3 6175 37.728 30.992 53.204 1.00 0.00 SOLV H ATOM 20556 OH2 TIP3 6176 32.574 28.816 48.866 1.00 0.00 SOLV O ATOM 20557 H1 TIP3 6176 31.634 28.752 48.648 1.00 0.00 SOLV H ATOM 20558 H2 TIP3 6176 32.932 28.061 48.343 1.00 0.00 SOLV H ATOM 20559 OH2 TIP3 6177 27.174 34.994 50.732 1.00 0.00 SOLV O ATOM 20560 H1 TIP3 6177 27.811 35.709 50.513 1.00 0.00 SOLV H ATOM 20561 H2 TIP3 6177 27.723 34.425 51.298 1.00 0.00 SOLV H ATOM 20562 OH2 TIP3 6178 30.402 30.881 50.372 1.00 0.00 SOLV O ATOM 20563 H1 TIP3 6178 29.965 30.715 51.239 1.00 0.00 SOLV H ATOM 20564 H2 TIP3 6178 31.171 30.294 50.449 1.00 0.00 SOLV H ATOM 20565 OH2 TIP3 6179 33.299 35.292 52.618 1.00 0.00 SOLV O ATOM 20566 H1 TIP3 6179 32.468 34.933 52.255 1.00 0.00 SOLV H ATOM 20567 H2 TIP3 6179 33.418 36.108 52.085 1.00 0.00 SOLV H ATOM 20568 OH2 TIP3 6180 21.323 22.779 52.126 1.00 0.00 SOLV O ATOM 20569 H1 TIP3 6180 20.371 22.896 51.951 1.00 0.00 SOLV H ATOM 20570 H2 TIP3 6180 21.311 22.072 52.794 1.00 0.00 SOLV H ATOM 20571 OH2 TIP3 6181 21.146 34.475 50.560 1.00 0.00 SOLV O ATOM 20572 H1 TIP3 6181 21.480 33.661 50.974 1.00 0.00 SOLV H ATOM 20573 H2 TIP3 6181 21.366 35.141 51.226 1.00 0.00 SOLV H ATOM 20574 OH2 TIP3 6182 30.098 22.433 51.418 1.00 0.00 SOLV O ATOM 20575 H1 TIP3 6182 30.941 22.609 51.883 1.00 0.00 SOLV H ATOM 20576 H2 TIP3 6182 29.874 21.526 51.723 1.00 0.00 SOLV H ATOM 20577 OH2 TIP3 6183 28.895 24.876 52.086 1.00 0.00 SOLV O ATOM 20578 H1 TIP3 6183 29.055 25.085 53.028 1.00 0.00 SOLV H ATOM 20579 H2 TIP3 6183 29.272 23.972 52.011 1.00 0.00 SOLV H ATOM 20580 OH2 TIP3 6184 24.519 22.267 40.704 1.00 0.00 SOLV O ATOM 20581 H1 TIP3 6184 24.099 22.181 41.592 1.00 0.00 SOLV H ATOM 20582 H2 TIP3 6184 25.397 21.892 40.889 1.00 0.00 SOLV H ATOM 20583 OH2 TIP3 6185 34.732 22.794 53.406 1.00 0.00 SOLV O ATOM 20584 H1 TIP3 6185 33.813 22.885 53.078 1.00 0.00 SOLV H ATOM 20585 H2 TIP3 6185 35.212 22.631 52.581 1.00 0.00 SOLV H ATOM 20586 OH2 TIP3 6186 33.372 26.681 47.348 1.00 0.00 SOLV O ATOM 20587 H1 TIP3 6186 32.846 26.155 46.719 1.00 0.00 SOLV H ATOM 20588 H2 TIP3 6186 33.960 25.988 47.714 1.00 0.00 SOLV H ATOM 20589 OH2 TIP3 6187 34.616 36.148 48.641 1.00 0.00 SOLV O ATOM 20590 H1 TIP3 6187 34.581 36.849 47.973 1.00 0.00 SOLV H ATOM 20591 H2 TIP3 6187 35.588 36.108 48.813 1.00 0.00 SOLV H ATOM 20592 OH2 TIP3 6188 21.970 19.985 47.536 1.00 0.00 SOLV O ATOM 20593 H1 TIP3 6188 21.890 19.825 46.571 1.00 0.00 SOLV H ATOM 20594 H2 TIP3 6188 21.624 19.146 47.908 1.00 0.00 SOLV H ATOM 20595 OH2 TIP3 6189 20.381 36.800 55.309 1.00 0.00 SOLV O ATOM 20596 H1 TIP3 6189 21.073 36.584 55.980 1.00 0.00 SOLV H ATOM 20597 H2 TIP3 6189 20.116 35.910 55.032 1.00 0.00 SOLV H ATOM 20598 OH2 TIP3 6190 24.579 35.150 56.711 1.00 0.00 SOLV O ATOM 20599 H1 TIP3 6190 25.487 34.908 56.934 1.00 0.00 SOLV H ATOM 20600 H2 TIP3 6190 24.481 34.724 55.834 1.00 0.00 SOLV H ATOM 20601 OH2 TIP3 6191 31.326 33.677 55.497 1.00 0.00 SOLV O ATOM 20602 H1 TIP3 6191 31.035 32.874 55.988 1.00 0.00 SOLV H ATOM 20603 H2 TIP3 6191 32.076 33.985 56.047 1.00 0.00 SOLV H ATOM 20604 OH2 TIP3 6192 20.160 30.301 56.055 1.00 0.00 SOLV O ATOM 20605 H1 TIP3 6192 20.187 29.342 55.887 1.00 0.00 SOLV H ATOM 20606 H2 TIP3 6192 19.479 30.603 55.415 1.00 0.00 SOLV H ATOM 20607 OH2 TIP3 6193 26.663 30.451 55.579 1.00 0.00 SOLV O ATOM 20608 H1 TIP3 6193 26.597 30.936 54.730 1.00 0.00 SOLV H ATOM 20609 H2 TIP3 6193 26.943 29.557 55.293 1.00 0.00 SOLV H ATOM 20610 OH2 TIP3 6194 32.431 30.456 53.046 1.00 0.00 SOLV O ATOM 20611 H1 TIP3 6194 33.372 30.695 52.920 1.00 0.00 SOLV H ATOM 20612 H2 TIP3 6194 32.006 31.327 52.906 1.00 0.00 SOLV H ATOM 20613 OH2 TIP3 6195 21.050 27.578 55.566 1.00 0.00 SOLV O ATOM 20614 H1 TIP3 6195 21.875 27.120 55.360 1.00 0.00 SOLV H ATOM 20615 H2 TIP3 6195 21.123 27.672 56.541 1.00 0.00 SOLV H ATOM 20616 OH2 TIP3 6196 24.807 26.377 52.642 1.00 0.00 SOLV O ATOM 20617 H1 TIP3 6196 24.255 27.185 52.705 1.00 0.00 SOLV H ATOM 20618 H2 TIP3 6196 25.639 26.746 52.259 1.00 0.00 SOLV H ATOM 20619 OH2 TIP3 6197 30.109 29.053 56.243 1.00 0.00 SOLV O ATOM 20620 H1 TIP3 6197 30.924 28.647 55.921 1.00 0.00 SOLV H ATOM 20621 H2 TIP3 6197 29.745 28.339 56.800 1.00 0.00 SOLV H ATOM 20622 OH2 TIP3 6198 25.472 24.003 53.857 1.00 0.00 SOLV O ATOM 20623 H1 TIP3 6198 25.580 23.318 53.164 1.00 0.00 SOLV H ATOM 20624 H2 TIP3 6198 25.295 24.804 53.319 1.00 0.00 SOLV H ATOM 20625 OH2 TIP3 6199 25.716 22.272 51.606 1.00 0.00 SOLV O ATOM 20626 H1 TIP3 6199 26.324 22.741 50.998 1.00 0.00 SOLV H ATOM 20627 H2 TIP3 6199 24.887 22.269 51.090 1.00 0.00 SOLV H ATOM 20628 OH2 TIP3 6200 26.996 27.534 51.626 1.00 0.00 SOLV O ATOM 20629 H1 TIP3 6200 27.963 27.580 51.607 1.00 0.00 SOLV H ATOM 20630 H2 TIP3 6200 26.737 28.384 51.211 1.00 0.00 SOLV H ATOM 20631 OH2 TIP3 6201 31.522 25.410 56.463 1.00 0.00 SOLV O ATOM 20632 H1 TIP3 6201 31.734 24.465 56.523 1.00 0.00 SOLV H ATOM 20633 H2 TIP3 6201 32.406 25.797 56.370 1.00 0.00 SOLV H ATOM 20634 OH2 TIP3 6202 32.965 28.346 54.679 1.00 0.00 SOLV O ATOM 20635 H1 TIP3 6202 32.672 29.126 54.154 1.00 0.00 SOLV H ATOM 20636 H2 TIP3 6202 33.942 28.447 54.605 1.00 0.00 SOLV H ATOM 20637 OH2 TIP3 6203 23.797 24.718 56.002 1.00 0.00 SOLV O ATOM 20638 H1 TIP3 6203 23.066 24.083 55.850 1.00 0.00 SOLV H ATOM 20639 H2 TIP3 6203 24.361 24.545 55.218 1.00 0.00 SOLV H ATOM 20640 OH2 TIP3 6204 26.511 19.552 51.986 1.00 0.00 SOLV O ATOM 20641 H1 TIP3 6204 26.187 20.466 51.865 1.00 0.00 SOLV H ATOM 20642 H2 TIP3 6204 25.797 19.026 51.572 1.00 0.00 SOLV H ATOM 20643 OH2 TIP3 6205 27.795 23.729 55.468 1.00 0.00 SOLV O ATOM 20644 H1 TIP3 6205 27.433 23.370 56.299 1.00 0.00 SOLV H ATOM 20645 H2 TIP3 6205 26.981 23.738 54.925 1.00 0.00 SOLV H ATOM 20646 OH2 TIP3 6206 30.426 23.165 54.584 1.00 0.00 SOLV O ATOM 20647 H1 TIP3 6206 29.540 23.121 54.993 1.00 0.00 SOLV H ATOM 20648 H2 TIP3 6206 30.957 22.596 55.184 1.00 0.00 SOLV H ATOM 20649 OH2 TIP3 6207 32.057 21.826 56.341 1.00 0.00 SOLV O ATOM 20650 H1 TIP3 6207 32.067 20.847 56.264 1.00 0.00 SOLV H ATOM 20651 H2 TIP3 6207 31.851 21.958 57.288 1.00 0.00 SOLV H ATOM 20652 OH2 TIP3 6208 21.854 22.764 55.691 1.00 0.00 SOLV O ATOM 20653 H1 TIP3 6208 21.818 21.931 55.178 1.00 0.00 SOLV H ATOM 20654 H2 TIP3 6208 22.039 22.394 56.586 1.00 0.00 SOLV H ATOM 20655 OH2 TIP3 6209 26.673 19.011 54.672 1.00 0.00 SOLV O ATOM 20656 H1 TIP3 6209 27.217 18.197 54.632 1.00 0.00 SOLV H ATOM 20657 H2 TIP3 6209 26.562 19.188 53.717 1.00 0.00 SOLV H ATOM 20658 OH2 TIP3 6210 27.229 20.653 56.774 1.00 0.00 SOLV O ATOM 20659 H1 TIP3 6210 27.107 20.076 55.985 1.00 0.00 SOLV H ATOM 20660 H2 TIP3 6210 26.525 21.319 56.645 1.00 0.00 SOLV H ATOM 20661 OH2 TIP3 6211 19.040 37.513 44.547 1.00 0.00 SOLV O ATOM 20662 H1 TIP3 6211 18.979 37.098 43.670 1.00 0.00 SOLV H ATOM 20663 H2 TIP3 6211 19.326 36.742 45.078 1.00 0.00 SOLV H ATOM 20664 OH2 TIP3 6212 19.661 35.417 46.265 1.00 0.00 SOLV O ATOM 20665 H1 TIP3 6212 19.296 34.654 46.735 1.00 0.00 SOLV H ATOM 20666 H2 TIP3 6212 20.253 35.787 46.940 1.00 0.00 SOLV H ATOM 20667 OH2 TIP3 6213 37.230 36.473 49.366 1.00 0.00 SOLV O ATOM 20668 H1 TIP3 6213 37.190 36.197 50.303 1.00 0.00 SOLV H ATOM 20669 H2 TIP3 6213 37.723 37.305 49.468 1.00 0.00 SOLV H ATOM 20670 OH2 TIP3 6214 36.772 35.868 52.040 1.00 0.00 SOLV O ATOM 20671 H1 TIP3 6214 36.276 35.053 51.810 1.00 0.00 SOLV H ATOM 20672 H2 TIP3 6214 37.329 35.527 52.759 1.00 0.00 SOLV H ATOM 20673 OH2 TIP3 6215 35.240 31.638 56.849 1.00 0.00 SOLV O ATOM 20674 H1 TIP3 6215 34.418 31.755 57.366 1.00 0.00 SOLV H ATOM 20675 H2 TIP3 6215 35.796 32.363 57.201 1.00 0.00 SOLV H ATOM 20676 OH2 TIP3 6216 37.035 30.770 49.198 1.00 0.00 SOLV O ATOM 20677 H1 TIP3 6216 37.627 30.116 48.774 1.00 0.00 SOLV H ATOM 20678 H2 TIP3 6216 37.417 31.620 48.876 1.00 0.00 SOLV H ATOM 20679 OH2 TIP3 6217 35.208 33.688 51.347 1.00 0.00 SOLV O ATOM 20680 H1 TIP3 6217 34.433 34.128 51.749 1.00 0.00 SOLV H ATOM 20681 H2 TIP3 6217 34.923 33.523 50.426 1.00 0.00 SOLV H ATOM 20682 OH2 TIP3 6218 19.729 28.632 48.812 1.00 0.00 SOLV O ATOM 20683 H1 TIP3 6218 19.829 28.476 47.845 1.00 0.00 SOLV H ATOM 20684 H2 TIP3 6218 20.641 28.445 49.122 1.00 0.00 SOLV H ATOM 20685 OH2 TIP3 6219 35.711 28.663 54.514 1.00 0.00 SOLV O ATOM 20686 H1 TIP3 6219 36.287 27.871 54.406 1.00 0.00 SOLV H ATOM 20687 H2 TIP3 6219 36.265 29.364 54.135 1.00 0.00 SOLV H ATOM 20688 OH2 TIP3 6220 37.068 26.331 54.456 1.00 0.00 SOLV O ATOM 20689 H1 TIP3 6220 36.181 25.923 54.551 1.00 0.00 SOLV H ATOM 20690 H2 TIP3 6220 37.624 25.568 54.738 1.00 0.00 SOLV H ATOM 20691 OH2 TIP3 6221 34.990 24.703 48.471 1.00 0.00 SOLV O ATOM 20692 H1 TIP3 6221 35.958 24.835 48.336 1.00 0.00 SOLV H ATOM 20693 H2 TIP3 6221 34.955 24.795 49.441 1.00 0.00 SOLV H ATOM 20694 OH2 TIP3 6222 35.242 25.482 51.198 1.00 0.00 SOLV O ATOM 20695 H1 TIP3 6222 34.436 25.887 51.566 1.00 0.00 SOLV H ATOM 20696 H2 TIP3 6222 35.799 26.272 51.014 1.00 0.00 SOLV H ATOM 20697 OH2 TIP3 6223 19.499 23.913 54.963 1.00 0.00 SOLV O ATOM 20698 H1 TIP3 6223 20.412 23.639 55.202 1.00 0.00 SOLV H ATOM 20699 H2 TIP3 6223 19.077 23.032 54.913 1.00 0.00 SOLV H ATOM 20700 OH2 TIP3 6224 37.478 19.667 56.506 1.00 0.00 SOLV O ATOM 20701 H1 TIP3 6224 38.097 19.005 56.124 1.00 0.00 SOLV H ATOM 20702 H2 TIP3 6224 37.446 20.342 55.792 1.00 0.00 SOLV H ATOM 20703 OH2 TIP3 6225 20.501 22.337 47.633 1.00 0.00 SOLV O ATOM 20704 H1 TIP3 6225 20.897 21.445 47.720 1.00 0.00 SOLV H ATOM 20705 H2 TIP3 6225 21.266 22.899 47.833 1.00 0.00 SOLV H ATOM 20706 OH2 TIP3 6226 18.729 25.289 48.469 1.00 0.00 SOLV O ATOM 20707 H1 TIP3 6226 19.484 25.382 47.857 1.00 0.00 SOLV H ATOM 20708 H2 TIP3 6226 19.007 25.813 49.227 1.00 0.00 SOLV H ATOM 20709 OH2 TIP3 6227 36.852 21.507 54.599 1.00 0.00 SOLV O ATOM 20710 H1 TIP3 6227 36.061 22.083 54.552 1.00 0.00 SOLV H ATOM 20711 H2 TIP3 6227 36.679 20.930 53.829 1.00 0.00 SOLV H ATOM 20712 OH2 TIP3 6228 19.354 21.387 42.617 1.00 0.00 SOLV O ATOM 20713 H1 TIP3 6228 18.384 21.379 42.697 1.00 0.00 SOLV H ATOM 20714 H2 TIP3 6228 19.500 22.110 41.975 1.00 0.00 SOLV H ATOM 20715 OH2 TIP3 6229 19.340 20.309 51.097 1.00 0.00 SOLV O ATOM 20716 H1 TIP3 6229 18.588 20.054 51.656 1.00 0.00 SOLV H ATOM 20717 H2 TIP3 6229 18.885 20.798 50.384 1.00 0.00 SOLV H ATOM 20718 OH2 TIP3 6230 21.459 33.730 55.137 1.00 0.00 SOLV O ATOM 20719 H1 TIP3 6230 20.545 33.768 54.795 1.00 0.00 SOLV H ATOM 20720 H2 TIP3 6230 21.322 33.450 56.050 1.00 0.00 SOLV H ATOM 20721 OH2 TIP3 6231 24.534 34.605 51.477 1.00 0.00 SOLV O ATOM 20722 H1 TIP3 6231 24.273 35.502 51.174 1.00 0.00 SOLV H ATOM 20723 H2 TIP3 6231 25.491 34.668 51.276 1.00 0.00 SOLV H ATOM 20724 OH2 TIP3 6232 28.535 35.789 54.332 1.00 0.00 SOLV O ATOM 20725 H1 TIP3 6232 28.719 35.534 55.262 1.00 0.00 SOLV H ATOM 20726 H2 TIP3 6232 29.371 36.251 54.104 1.00 0.00 SOLV H ATOM 20727 OH2 TIP3 6233 30.855 37.121 53.771 1.00 0.00 SOLV O ATOM 20728 H1 TIP3 6233 31.622 36.612 53.479 1.00 0.00 SOLV H ATOM 20729 H2 TIP3 6233 31.220 37.485 54.613 1.00 0.00 SOLV H ATOM 20730 OH2 TIP3 6234 35.999 19.617 52.737 1.00 0.00 SOLV O ATOM 20731 H1 TIP3 6234 35.220 19.706 52.162 1.00 0.00 SOLV H ATOM 20732 H2 TIP3 6234 36.261 18.684 52.553 1.00 0.00 SOLV H ATOM 20733 OH2 TIP3 6235 21.623 37.610 51.589 1.00 0.00 SOLV O ATOM 20734 H1 TIP3 6235 20.813 38.043 51.238 1.00 0.00 SOLV H ATOM 20735 H2 TIP3 6235 21.724 38.086 52.429 1.00 0.00 SOLV H ATOM 20736 OH2 TIP3 6236 24.214 37.200 50.716 1.00 0.00 SOLV O ATOM 20737 H1 TIP3 6236 23.275 37.390 50.933 1.00 0.00 SOLV H ATOM 20738 H2 TIP3 6236 24.331 37.717 49.893 1.00 0.00 SOLV H ATOM 20739 OH2 TIP3 6237 28.889 36.994 49.897 1.00 0.00 SOLV O ATOM 20740 H1 TIP3 6237 28.259 37.363 49.235 1.00 0.00 SOLV H ATOM 20741 H2 TIP3 6237 28.971 37.748 50.519 1.00 0.00 SOLV H ATOM 20742 OH2 TIP3 6238 31.249 35.666 50.584 1.00 0.00 SOLV O ATOM 20743 H1 TIP3 6238 30.414 36.134 50.375 1.00 0.00 SOLV H ATOM 20744 H2 TIP3 6238 31.872 36.412 50.668 1.00 0.00 SOLV H ATOM 20745 OH2 TIP3 6239 33.489 37.379 50.862 1.00 0.00 SOLV O ATOM 20746 H1 TIP3 6239 33.682 38.334 50.721 1.00 0.00 SOLV H ATOM 20747 H2 TIP3 6239 33.977 36.983 50.111 1.00 0.00 SOLV H ATOM 20748 OH2 TIP3 6240 21.156 36.293 48.477 1.00 0.00 SOLV O ATOM 20749 H1 TIP3 6240 21.149 35.723 49.277 1.00 0.00 SOLV H ATOM 20750 H2 TIP3 6240 21.932 35.879 48.018 1.00 0.00 SOLV H ATOM 20751 OH2 TIP3 6241 23.188 34.963 47.409 1.00 0.00 SOLV O ATOM 20752 H1 TIP3 6241 23.103 34.011 47.631 1.00 0.00 SOLV H ATOM 20753 H2 TIP3 6241 24.135 35.122 47.597 1.00 0.00 SOLV H ATOM 20754 OH2 TIP3 6242 25.798 35.146 48.305 1.00 0.00 SOLV O ATOM 20755 H1 TIP3 6242 26.024 34.206 48.256 1.00 0.00 SOLV H ATOM 20756 H2 TIP3 6242 26.168 35.365 49.181 1.00 0.00 SOLV H ATOM 20757 OH2 TIP3 6243 29.173 21.318 46.593 1.00 0.00 SOLV O ATOM 20758 H1 TIP3 6243 28.684 20.588 46.999 1.00 0.00 SOLV H ATOM 20759 H2 TIP3 6243 30.050 20.903 46.437 1.00 0.00 SOLV H ATOM 20760 OH2 TIP3 6244 34.289 19.171 47.132 1.00 0.00 SOLV O ATOM 20761 H1 TIP3 6244 35.002 19.699 46.698 1.00 0.00 SOLV H ATOM 20762 H2 TIP3 6244 33.495 19.692 46.939 1.00 0.00 SOLV H ATOM 20763 OH2 TIP3 6245 36.195 20.389 45.663 1.00 0.00 SOLV O ATOM 20764 H1 TIP3 6245 36.862 19.812 45.239 1.00 0.00 SOLV H ATOM 20765 H2 TIP3 6245 36.590 21.269 45.519 1.00 0.00 SOLV H ATOM 20766 OH2 TIP3 6246 21.710 19.679 44.766 1.00 0.00 SOLV O ATOM 20767 H1 TIP3 6246 20.766 19.506 44.550 1.00 0.00 SOLV H ATOM 20768 H2 TIP3 6246 22.069 18.772 44.658 1.00 0.00 SOLV H ATOM 20769 OH2 TIP3 6247 20.439 19.589 40.712 1.00 0.00 SOLV O ATOM 20770 H1 TIP3 6247 21.035 20.170 40.207 1.00 0.00 SOLV H ATOM 20771 H2 TIP3 6247 20.163 20.167 41.454 1.00 0.00 SOLV H ATOM 20772 OH2 TIP3 6248 26.247 19.525 44.893 1.00 0.00 SOLV O ATOM 20773 H1 TIP3 6248 27.134 19.366 44.546 1.00 0.00 SOLV H ATOM 20774 H2 TIP3 6248 26.429 19.616 45.851 1.00 0.00 SOLV H ATOM 20775 OH2 TIP3 6249 31.551 19.877 46.279 1.00 0.00 SOLV O ATOM 20776 H1 TIP3 6249 32.003 19.635 45.457 1.00 0.00 SOLV H ATOM 20777 H2 TIP3 6249 31.245 18.997 46.601 1.00 0.00 SOLV H ATOM 20778 OH2 TIP3 6250 22.444 21.263 39.115 1.00 0.00 SOLV O ATOM 20779 H1 TIP3 6250 22.892 20.658 38.486 1.00 0.00 SOLV H ATOM 20780 H2 TIP3 6250 23.210 21.552 39.658 1.00 0.00 SOLV H ATOM 20781 OH2 TIP3 6251 27.319 22.015 42.243 1.00 0.00 SOLV O ATOM 20782 H1 TIP3 6251 27.286 21.052 42.136 1.00 0.00 SOLV H ATOM 20783 H2 TIP3 6251 28.075 22.255 41.678 1.00 0.00 SOLV H ATOM 20784 OH2 TIP3 6252 21.650 20.307 54.376 1.00 0.00 SOLV O ATOM 20785 H1 TIP3 6252 21.085 19.551 54.636 1.00 0.00 SOLV H ATOM 20786 H2 TIP3 6252 22.477 20.058 54.847 1.00 0.00 SOLV H ATOM 20787 OH2 TIP3 6253 23.722 19.557 56.054 1.00 0.00 SOLV O ATOM 20788 H1 TIP3 6253 24.603 19.198 55.844 1.00 0.00 SOLV H ATOM 20789 H2 TIP3 6253 23.327 18.796 56.532 1.00 0.00 SOLV H ATOM 20790 OH2 TIP3 6254 32.313 19.063 56.152 1.00 0.00 SOLV O ATOM 20791 H1 TIP3 6254 32.163 18.553 56.979 1.00 0.00 SOLV H ATOM 20792 H2 TIP3 6254 33.265 18.888 55.990 1.00 0.00 SOLV H ATOM 20793 OH2 TIP3 6255 35.080 35.031 54.846 1.00 0.00 SOLV O ATOM 20794 H1 TIP3 6255 34.444 35.029 54.104 1.00 0.00 SOLV H ATOM 20795 H2 TIP3 6255 35.048 35.974 55.110 1.00 0.00 SOLV H ATOM 20796 OH2 TIP3 6256 48.637 28.325 48.677 1.00 0.00 SOLV O ATOM 20797 H1 TIP3 6256 48.835 27.769 49.457 1.00 0.00 SOLV H ATOM 20798 H2 TIP3 6256 48.244 27.668 48.072 1.00 0.00 SOLV H ATOM 20799 OH2 TIP3 6257 40.751 27.694 50.063 1.00 0.00 SOLV O ATOM 20800 H1 TIP3 6257 41.056 26.940 50.580 1.00 0.00 SOLV H ATOM 20801 H2 TIP3 6257 41.601 28.131 49.885 1.00 0.00 SOLV H ATOM 20802 OH2 TIP3 6258 52.523 30.972 46.930 1.00 0.00 SOLV O ATOM 20803 H1 TIP3 6258 52.162 30.176 47.376 1.00 0.00 SOLV H ATOM 20804 H2 TIP3 6258 53.192 31.267 47.559 1.00 0.00 SOLV H ATOM 20805 OH2 TIP3 6259 41.811 32.390 48.176 1.00 0.00 SOLV O ATOM 20806 H1 TIP3 6259 41.588 31.463 47.950 1.00 0.00 SOLV H ATOM 20807 H2 TIP3 6259 42.779 32.324 48.263 1.00 0.00 SOLV H ATOM 20808 OH2 TIP3 6260 38.566 25.190 44.111 1.00 0.00 SOLV O ATOM 20809 H1 TIP3 6260 38.254 26.045 44.403 1.00 0.00 SOLV H ATOM 20810 H2 TIP3 6260 38.056 24.566 44.666 1.00 0.00 SOLV H ATOM 20811 OH2 TIP3 6261 49.417 36.430 46.753 1.00 0.00 SOLV O ATOM 20812 H1 TIP3 6261 49.926 35.693 46.350 1.00 0.00 SOLV H ATOM 20813 H2 TIP3 6261 49.081 36.024 47.560 1.00 0.00 SOLV H ATOM 20814 OH2 TIP3 6262 46.902 30.655 48.969 1.00 0.00 SOLV O ATOM 20815 H1 TIP3 6262 47.177 29.795 48.602 1.00 0.00 SOLV H ATOM 20816 H2 TIP3 6262 47.751 30.937 49.349 1.00 0.00 SOLV H ATOM 20817 OH2 TIP3 6263 55.746 22.160 49.630 1.00 0.00 SOLV O ATOM 20818 H1 TIP3 6263 56.031 22.836 50.276 1.00 0.00 SOLV H ATOM 20819 H2 TIP3 6263 56.248 22.422 48.838 1.00 0.00 SOLV H ATOM 20820 OH2 TIP3 6264 50.205 24.991 48.839 1.00 0.00 SOLV O ATOM 20821 H1 TIP3 6264 50.395 24.038 48.939 1.00 0.00 SOLV H ATOM 20822 H2 TIP3 6264 50.041 25.038 47.876 1.00 0.00 SOLV H ATOM 20823 OH2 TIP3 6265 43.379 23.392 46.005 1.00 0.00 SOLV O ATOM 20824 H1 TIP3 6265 42.625 23.951 45.726 1.00 0.00 SOLV H ATOM 20825 H2 TIP3 6265 43.195 22.620 45.436 1.00 0.00 SOLV H ATOM 20826 OH2 TIP3 6266 51.329 23.363 44.460 1.00 0.00 SOLV O ATOM 20827 H1 TIP3 6266 51.779 22.957 45.239 1.00 0.00 SOLV H ATOM 20828 H2 TIP3 6266 52.102 23.707 43.974 1.00 0.00 SOLV H ATOM 20829 OH2 TIP3 6267 39.911 25.498 46.971 1.00 0.00 SOLV O ATOM 20830 H1 TIP3 6267 40.599 25.171 47.586 1.00 0.00 SOLV H ATOM 20831 H2 TIP3 6267 40.304 25.228 46.121 1.00 0.00 SOLV H ATOM 20832 OH2 TIP3 6268 44.926 26.943 46.635 1.00 0.00 SOLV O ATOM 20833 H1 TIP3 6268 45.865 26.752 46.854 1.00 0.00 SOLV H ATOM 20834 H2 TIP3 6268 44.641 26.078 46.318 1.00 0.00 SOLV H ATOM 20835 OH2 TIP3 6269 56.280 23.761 51.871 1.00 0.00 SOLV O ATOM 20836 H1 TIP3 6269 55.527 24.336 51.617 1.00 0.00 SOLV H ATOM 20837 H2 TIP3 6269 56.234 23.826 52.838 1.00 0.00 SOLV H ATOM 20838 OH2 TIP3 6270 44.872 29.589 50.502 1.00 0.00 SOLV O ATOM 20839 H1 TIP3 6270 44.239 30.266 50.832 1.00 0.00 SOLV H ATOM 20840 H2 TIP3 6270 45.458 30.131 49.936 1.00 0.00 SOLV H ATOM 20841 OH2 TIP3 6271 52.609 22.735 46.772 1.00 0.00 SOLV O ATOM 20842 H1 TIP3 6271 52.052 22.299 47.436 1.00 0.00 SOLV H ATOM 20843 H2 TIP3 6271 53.138 23.344 47.326 1.00 0.00 SOLV H ATOM 20844 OH2 TIP3 6272 41.729 23.911 48.472 1.00 0.00 SOLV O ATOM 20845 H1 TIP3 6272 42.147 23.833 49.365 1.00 0.00 SOLV H ATOM 20846 H2 TIP3 6272 42.517 23.729 47.934 1.00 0.00 SOLV H ATOM 20847 OH2 TIP3 6273 43.298 31.707 51.441 1.00 0.00 SOLV O ATOM 20848 H1 TIP3 6273 43.168 32.650 51.213 1.00 0.00 SOLV H ATOM 20849 H2 TIP3 6273 42.377 31.478 51.683 1.00 0.00 SOLV H ATOM 20850 OH2 TIP3 6274 52.475 33.398 49.122 1.00 0.00 SOLV O ATOM 20851 H1 TIP3 6274 51.974 33.208 48.317 1.00 0.00 SOLV H ATOM 20852 H2 TIP3 6274 52.810 34.301 48.922 1.00 0.00 SOLV H ATOM 20853 OH2 TIP3 6275 53.185 21.265 50.474 1.00 0.00 SOLV O ATOM 20854 H1 TIP3 6275 52.483 21.723 49.984 1.00 0.00 SOLV H ATOM 20855 H2 TIP3 6275 53.995 21.585 50.024 1.00 0.00 SOLV H ATOM 20856 OH2 TIP3 6276 45.863 19.150 47.765 1.00 0.00 SOLV O ATOM 20857 H1 TIP3 6276 45.509 18.240 47.712 1.00 0.00 SOLV H ATOM 20858 H2 TIP3 6276 45.083 19.618 48.140 1.00 0.00 SOLV H ATOM 20859 OH2 TIP3 6277 51.265 34.554 45.809 1.00 0.00 SOLV O ATOM 20860 H1 TIP3 6277 51.592 33.750 45.349 1.00 0.00 SOLV H ATOM 20861 H2 TIP3 6277 51.820 35.224 45.363 1.00 0.00 SOLV H ATOM 20862 OH2 TIP3 6278 52.500 32.424 44.557 1.00 0.00 SOLV O ATOM 20863 H1 TIP3 6278 52.713 31.858 43.783 1.00 0.00 SOLV H ATOM 20864 H2 TIP3 6278 52.551 31.785 45.294 1.00 0.00 SOLV H ATOM 20865 OH2 TIP3 6279 53.769 31.185 52.497 1.00 0.00 SOLV O ATOM 20866 H1 TIP3 6279 53.787 30.590 51.717 1.00 0.00 SOLV H ATOM 20867 H2 TIP3 6279 53.972 32.054 52.087 1.00 0.00 SOLV H ATOM 20868 OH2 TIP3 6280 55.688 27.687 50.688 1.00 0.00 SOLV O ATOM 20869 H1 TIP3 6280 54.945 28.323 50.625 1.00 0.00 SOLV H ATOM 20870 H2 TIP3 6280 56.262 28.010 49.961 1.00 0.00 SOLV H ATOM 20871 OH2 TIP3 6281 51.753 28.459 43.420 1.00 0.00 SOLV O ATOM 20872 H1 TIP3 6281 51.211 28.747 44.177 1.00 0.00 SOLV H ATOM 20873 H2 TIP3 6281 52.419 27.886 43.870 1.00 0.00 SOLV H ATOM 20874 OH2 TIP3 6282 51.691 26.425 52.466 1.00 0.00 SOLV O ATOM 20875 H1 TIP3 6282 51.606 27.129 53.134 1.00 0.00 SOLV H ATOM 20876 H2 TIP3 6282 50.986 26.684 51.831 1.00 0.00 SOLV H ATOM 20877 OH2 TIP3 6283 43.255 28.898 45.482 1.00 0.00 SOLV O ATOM 20878 H1 TIP3 6283 43.585 29.100 44.601 1.00 0.00 SOLV H ATOM 20879 H2 TIP3 6283 43.966 28.334 45.847 1.00 0.00 SOLV H ATOM 20880 OH2 TIP3 6284 44.621 32.159 47.906 1.00 0.00 SOLV O ATOM 20881 H1 TIP3 6284 44.555 31.800 47.013 1.00 0.00 SOLV H ATOM 20882 H2 TIP3 6284 45.405 31.703 48.261 1.00 0.00 SOLV H ATOM 20883 OH2 TIP3 6285 43.344 28.134 48.690 1.00 0.00 SOLV O ATOM 20884 H1 TIP3 6285 43.893 27.645 48.043 1.00 0.00 SOLV H ATOM 20885 H2 TIP3 6285 44.007 28.475 49.319 1.00 0.00 SOLV H ATOM 20886 OH2 TIP3 6286 44.989 32.180 53.511 1.00 0.00 SOLV O ATOM 20887 H1 TIP3 6286 44.333 32.737 53.989 1.00 0.00 SOLV H ATOM 20888 H2 TIP3 6286 44.436 31.892 52.750 1.00 0.00 SOLV H ATOM 20889 OH2 TIP3 6287 51.010 27.716 40.940 1.00 0.00 SOLV O ATOM 20890 H1 TIP3 6287 51.391 27.991 41.797 1.00 0.00 SOLV H ATOM 20891 H2 TIP3 6287 50.262 28.325 40.866 1.00 0.00 SOLV H ATOM 20892 OH2 TIP3 6288 41.584 28.719 52.787 1.00 0.00 SOLV O ATOM 20893 H1 TIP3 6288 41.589 29.367 53.513 1.00 0.00 SOLV H ATOM 20894 H2 TIP3 6288 40.644 28.471 52.728 1.00 0.00 SOLV H ATOM 20895 OH2 TIP3 6289 42.941 33.892 54.275 1.00 0.00 SOLV O ATOM 20896 H1 TIP3 6289 42.753 34.031 53.332 1.00 0.00 SOLV H ATOM 20897 H2 TIP3 6289 42.026 33.803 54.631 1.00 0.00 SOLV H ATOM 20898 OH2 TIP3 6290 54.349 19.157 40.701 1.00 0.00 SOLV O ATOM 20899 H1 TIP3 6290 53.471 19.459 41.011 1.00 0.00 SOLV H ATOM 20900 H2 TIP3 6290 54.751 20.010 40.429 1.00 0.00 SOLV H ATOM 20901 OH2 TIP3 6291 55.649 33.610 39.536 1.00 0.00 SOLV O ATOM 20902 H1 TIP3 6291 55.706 34.412 38.996 1.00 0.00 SOLV H ATOM 20903 H2 TIP3 6291 56.468 33.124 39.309 1.00 0.00 SOLV H ATOM 20904 OH2 TIP3 6292 38.433 30.518 51.697 1.00 0.00 SOLV O ATOM 20905 H1 TIP3 6292 37.979 30.525 50.831 1.00 0.00 SOLV H ATOM 20906 H2 TIP3 6292 38.627 29.565 51.833 1.00 0.00 SOLV H ATOM 20907 OH2 TIP3 6293 38.375 33.068 48.549 1.00 0.00 SOLV O ATOM 20908 H1 TIP3 6293 39.331 32.930 48.486 1.00 0.00 SOLV H ATOM 20909 H2 TIP3 6293 38.361 33.850 49.120 1.00 0.00 SOLV H ATOM 20910 OH2 TIP3 6294 56.577 33.992 54.415 1.00 0.00 SOLV O ATOM 20911 H1 TIP3 6294 56.332 33.049 54.395 1.00 0.00 SOLV H ATOM 20912 H2 TIP3 6294 55.740 34.397 54.740 1.00 0.00 SOLV H ATOM 20913 OH2 TIP3 6295 47.005 33.824 52.735 1.00 0.00 SOLV O ATOM 20914 H1 TIP3 6295 47.031 34.557 53.399 1.00 0.00 SOLV H ATOM 20915 H2 TIP3 6295 46.244 33.292 53.075 1.00 0.00 SOLV H ATOM 20916 OH2 TIP3 6296 53.504 25.264 54.600 1.00 0.00 SOLV O ATOM 20917 H1 TIP3 6296 52.804 25.559 53.996 1.00 0.00 SOLV H ATOM 20918 H2 TIP3 6296 53.576 24.318 54.357 1.00 0.00 SOLV H ATOM 20919 OH2 TIP3 6297 40.697 31.950 52.390 1.00 0.00 SOLV O ATOM 20920 H1 TIP3 6297 40.899 31.572 53.268 1.00 0.00 SOLV H ATOM 20921 H2 TIP3 6297 39.898 31.443 52.134 1.00 0.00 SOLV H ATOM 20922 OH2 TIP3 6298 43.463 20.277 48.694 1.00 0.00 SOLV O ATOM 20923 H1 TIP3 6298 42.599 20.280 48.230 1.00 0.00 SOLV H ATOM 20924 H2 TIP3 6298 43.467 21.163 49.108 1.00 0.00 SOLV H ATOM 20925 OH2 TIP3 6299 48.141 19.847 52.012 1.00 0.00 SOLV O ATOM 20926 H1 TIP3 6299 48.584 19.333 52.719 1.00 0.00 SOLV H ATOM 20927 H2 TIP3 6299 47.197 19.803 52.262 1.00 0.00 SOLV H ATOM 20928 OH2 TIP3 6300 51.178 23.718 52.798 1.00 0.00 SOLV O ATOM 20929 H1 TIP3 6300 50.452 23.636 53.460 1.00 0.00 SOLV H ATOM 20930 H2 TIP3 6300 51.177 24.673 52.597 1.00 0.00 SOLV H ATOM 20931 OH2 TIP3 6301 47.904 21.831 39.367 1.00 0.00 SOLV O ATOM 20932 H1 TIP3 6301 47.252 21.798 40.097 1.00 0.00 SOLV H ATOM 20933 H2 TIP3 6301 47.384 21.508 38.624 1.00 0.00 SOLV H ATOM 20934 OH2 TIP3 6302 49.099 25.755 43.631 1.00 0.00 SOLV O ATOM 20935 H1 TIP3 6302 49.079 26.658 43.298 1.00 0.00 SOLV H ATOM 20936 H2 TIP3 6302 49.758 25.339 43.033 1.00 0.00 SOLV H ATOM 20937 OH2 TIP3 6303 48.149 25.911 54.817 1.00 0.00 SOLV O ATOM 20938 H1 TIP3 6303 47.643 25.145 55.168 1.00 0.00 SOLV H ATOM 20939 H2 TIP3 6303 48.985 25.806 55.312 1.00 0.00 SOLV H ATOM 20940 OH2 TIP3 6304 50.005 25.134 46.147 1.00 0.00 SOLV O ATOM 20941 H1 TIP3 6304 49.469 25.549 45.439 1.00 0.00 SOLV H ATOM 20942 H2 TIP3 6304 50.405 24.413 45.615 1.00 0.00 SOLV H ATOM 20943 OH2 TIP3 6305 37.973 22.572 45.264 1.00 0.00 SOLV O ATOM 20944 H1 TIP3 6305 38.394 22.604 46.150 1.00 0.00 SOLV H ATOM 20945 H2 TIP3 6305 38.650 22.121 44.740 1.00 0.00 SOLV H ATOM 20946 OH2 TIP3 6306 38.852 23.474 40.722 1.00 0.00 SOLV O ATOM 20947 H1 TIP3 6306 39.585 23.011 40.290 1.00 0.00 SOLV H ATOM 20948 H2 TIP3 6306 38.319 23.751 39.965 1.00 0.00 SOLV H ATOM 20949 OH2 TIP3 6307 49.494 26.724 50.759 1.00 0.00 SOLV O ATOM 20950 H1 TIP3 6307 49.778 26.078 50.067 1.00 0.00 SOLV H ATOM 20951 H2 TIP3 6307 48.829 26.180 51.237 1.00 0.00 SOLV H ATOM 20952 OH2 TIP3 6308 46.240 22.832 45.741 1.00 0.00 SOLV O ATOM 20953 H1 TIP3 6308 45.328 23.035 46.033 1.00 0.00 SOLV H ATOM 20954 H2 TIP3 6308 46.646 22.460 46.542 1.00 0.00 SOLV H ATOM 20955 OH2 TIP3 6309 41.167 24.386 44.690 1.00 0.00 SOLV O ATOM 20956 H1 TIP3 6309 40.353 24.683 44.231 1.00 0.00 SOLV H ATOM 20957 H2 TIP3 6309 41.351 23.536 44.243 1.00 0.00 SOLV H ATOM 20958 OH2 TIP3 6310 50.476 22.239 48.850 1.00 0.00 SOLV O ATOM 20959 H1 TIP3 6310 50.009 22.231 49.719 1.00 0.00 SOLV H ATOM 20960 H2 TIP3 6310 49.772 21.878 48.280 1.00 0.00 SOLV H ATOM 20961 OH2 TIP3 6311 41.491 30.560 54.855 1.00 0.00 SOLV O ATOM 20962 H1 TIP3 6311 42.154 30.520 55.572 1.00 0.00 SOLV H ATOM 20963 H2 TIP3 6311 40.667 30.491 55.377 1.00 0.00 SOLV H ATOM 20964 OH2 TIP3 6312 47.274 25.873 47.555 1.00 0.00 SOLV O ATOM 20965 H1 TIP3 6312 47.889 25.158 47.349 1.00 0.00 SOLV H ATOM 20966 H2 TIP3 6312 46.813 25.479 48.338 1.00 0.00 SOLV H ATOM 20967 OH2 TIP3 6313 42.170 21.767 44.038 1.00 0.00 SOLV O ATOM 20968 H1 TIP3 6313 41.551 21.064 44.341 1.00 0.00 SOLV H ATOM 20969 H2 TIP3 6313 42.582 21.326 43.283 1.00 0.00 SOLV H ATOM 20970 OH2 TIP3 6314 46.352 24.712 49.779 1.00 0.00 SOLV O ATOM 20971 H1 TIP3 6314 45.514 24.274 50.060 1.00 0.00 SOLV H ATOM 20972 H2 TIP3 6314 46.868 24.666 50.601 1.00 0.00 SOLV H ATOM 20973 OH2 TIP3 6315 53.698 29.570 50.249 1.00 0.00 SOLV O ATOM 20974 H1 TIP3 6315 54.273 30.134 49.684 1.00 0.00 SOLV H ATOM 20975 H2 TIP3 6315 52.949 29.354 49.657 1.00 0.00 SOLV H ATOM 20976 OH2 TIP3 6316 50.382 22.712 40.077 1.00 0.00 SOLV O ATOM 20977 H1 TIP3 6316 49.446 22.545 39.817 1.00 0.00 SOLV H ATOM 20978 H2 TIP3 6316 50.380 23.640 40.372 1.00 0.00 SOLV H ATOM 20979 OH2 TIP3 6317 48.226 30.881 53.140 1.00 0.00 SOLV O ATOM 20980 H1 TIP3 6317 48.248 29.915 53.169 1.00 0.00 SOLV H ATOM 20981 H2 TIP3 6317 47.484 31.076 53.734 1.00 0.00 SOLV H ATOM 20982 OH2 TIP3 6318 50.981 25.042 41.714 1.00 0.00 SOLV O ATOM 20983 H1 TIP3 6318 51.875 24.803 42.036 1.00 0.00 SOLV H ATOM 20984 H2 TIP3 6318 51.144 25.896 41.266 1.00 0.00 SOLV H ATOM 20985 OH2 TIP3 6319 41.523 29.706 47.436 1.00 0.00 SOLV O ATOM 20986 H1 TIP3 6319 41.944 29.508 46.572 1.00 0.00 SOLV H ATOM 20987 H2 TIP3 6319 42.098 29.137 47.992 1.00 0.00 SOLV H ATOM 20988 OH2 TIP3 6320 38.830 28.024 52.832 1.00 0.00 SOLV O ATOM 20989 H1 TIP3 6320 38.801 27.667 53.741 1.00 0.00 SOLV H ATOM 20990 H2 TIP3 6320 38.191 27.451 52.381 1.00 0.00 SOLV H ATOM 20991 OH2 TIP3 6321 46.024 27.704 54.907 1.00 0.00 SOLV O ATOM 20992 H1 TIP3 6321 45.835 27.775 53.947 1.00 0.00 SOLV H ATOM 20993 H2 TIP3 6321 46.841 27.163 54.857 1.00 0.00 SOLV H ATOM 20994 OH2 TIP3 6322 55.706 25.391 41.330 1.00 0.00 SOLV O ATOM 20995 H1 TIP3 6322 55.215 25.235 40.485 1.00 0.00 SOLV H ATOM 20996 H2 TIP3 6322 55.955 26.328 41.162 1.00 0.00 SOLV H ATOM 20997 OH2 TIP3 6323 56.072 31.103 54.055 1.00 0.00 SOLV O ATOM 20998 H1 TIP3 6323 55.152 31.262 53.756 1.00 0.00 SOLV H ATOM 20999 H2 TIP3 6323 56.522 30.974 53.190 1.00 0.00 SOLV H ATOM 21000 OH2 TIP3 6324 54.106 33.957 41.773 1.00 0.00 SOLV O ATOM 21001 H1 TIP3 6324 53.750 33.080 41.976 1.00 0.00 SOLV H ATOM 21002 H2 TIP3 6324 54.591 33.781 40.935 1.00 0.00 SOLV H ATOM 21003 OH2 TIP3 6325 51.533 28.937 48.431 1.00 0.00 SOLV O ATOM 21004 H1 TIP3 6325 50.562 28.840 48.361 1.00 0.00 SOLV H ATOM 21005 H2 TIP3 6325 51.819 28.092 48.016 1.00 0.00 SOLV H ATOM 21006 OH2 TIP3 6326 45.677 35.363 50.855 1.00 0.00 SOLV O ATOM 21007 H1 TIP3 6326 46.431 35.861 50.473 1.00 0.00 SOLV H ATOM 21008 H2 TIP3 6326 46.159 34.808 51.496 1.00 0.00 SOLV H ATOM 21009 OH2 TIP3 6327 49.398 31.010 50.488 1.00 0.00 SOLV O ATOM 21010 H1 TIP3 6327 49.140 30.306 51.125 1.00 0.00 SOLV H ATOM 21011 H2 TIP3 6327 50.062 30.521 49.971 1.00 0.00 SOLV H ATOM 21012 OH2 TIP3 6328 52.392 35.474 52.684 1.00 0.00 SOLV O ATOM 21013 H1 TIP3 6328 51.496 35.353 52.357 1.00 0.00 SOLV H ATOM 21014 H2 TIP3 6328 52.664 36.268 52.165 1.00 0.00 SOLV H ATOM 21015 OH2 TIP3 6329 39.692 22.534 52.989 1.00 0.00 SOLV O ATOM 21016 H1 TIP3 6329 39.254 22.690 52.141 1.00 0.00 SOLV H ATOM 21017 H2 TIP3 6329 40.086 21.661 52.858 1.00 0.00 SOLV H ATOM 21018 OH2 TIP3 6330 52.989 30.799 42.420 1.00 0.00 SOLV O ATOM 21019 H1 TIP3 6330 52.474 29.992 42.601 1.00 0.00 SOLV H ATOM 21020 H2 TIP3 6330 53.876 30.433 42.228 1.00 0.00 SOLV H ATOM 21021 OH2 TIP3 6331 40.002 34.320 50.532 1.00 0.00 SOLV O ATOM 21022 H1 TIP3 6331 40.350 33.538 50.998 1.00 0.00 SOLV H ATOM 21023 H2 TIP3 6331 39.989 34.989 51.222 1.00 0.00 SOLV H ATOM 21024 OH2 TIP3 6332 40.826 29.774 41.875 1.00 0.00 SOLV O ATOM 21025 H1 TIP3 6332 39.879 29.914 41.696 1.00 0.00 SOLV H ATOM 21026 H2 TIP3 6332 41.256 30.233 41.159 1.00 0.00 SOLV H ATOM 21027 OH2 TIP3 6333 49.228 22.284 51.274 1.00 0.00 SOLV O ATOM 21028 H1 TIP3 6333 49.872 22.477 51.976 1.00 0.00 SOLV H ATOM 21029 H2 TIP3 6333 48.821 21.444 51.580 1.00 0.00 SOLV H ATOM 21030 OH2 TIP3 6334 49.910 21.694 42.664 1.00 0.00 SOLV O ATOM 21031 H1 TIP3 6334 50.100 22.076 41.783 1.00 0.00 SOLV H ATOM 21032 H2 TIP3 6334 50.326 22.350 43.262 1.00 0.00 SOLV H ATOM 21033 OH2 TIP3 6335 46.995 23.915 43.373 1.00 0.00 SOLV O ATOM 21034 H1 TIP3 6335 47.681 24.566 43.617 1.00 0.00 SOLV H ATOM 21035 H2 TIP3 6335 46.684 23.611 44.254 1.00 0.00 SOLV H ATOM 21036 OH2 TIP3 6336 47.869 25.044 52.172 1.00 0.00 SOLV O ATOM 21037 H1 TIP3 6336 47.945 25.350 53.102 1.00 0.00 SOLV H ATOM 21038 H2 TIP3 6336 48.059 24.096 52.255 1.00 0.00 SOLV H ATOM 21039 OH2 TIP3 6337 47.514 20.747 43.764 1.00 0.00 SOLV O ATOM 21040 H1 TIP3 6337 47.412 21.407 44.472 1.00 0.00 SOLV H ATOM 21041 H2 TIP3 6337 48.360 21.051 43.359 1.00 0.00 SOLV H ATOM 21042 OH2 TIP3 6338 43.486 22.045 40.852 1.00 0.00 SOLV O ATOM 21043 H1 TIP3 6338 43.593 22.927 41.214 1.00 0.00 SOLV H ATOM 21044 H2 TIP3 6338 44.407 21.725 40.883 1.00 0.00 SOLV H ATOM 21045 OH2 TIP3 6339 53.655 22.792 53.260 1.00 0.00 SOLV O ATOM 21046 H1 TIP3 6339 52.701 22.996 53.129 1.00 0.00 SOLV H ATOM 21047 H2 TIP3 6339 53.846 22.370 52.411 1.00 0.00 SOLV H ATOM 21048 OH2 TIP3 6340 52.282 26.536 47.161 1.00 0.00 SOLV O ATOM 21049 H1 TIP3 6340 51.450 26.064 46.960 1.00 0.00 SOLV H ATOM 21050 H2 TIP3 6340 52.764 25.853 47.680 1.00 0.00 SOLV H ATOM 21051 OH2 TIP3 6341 53.496 35.893 48.773 1.00 0.00 SOLV O ATOM 21052 H1 TIP3 6341 53.374 36.516 48.021 1.00 0.00 SOLV H ATOM 21053 H2 TIP3 6341 54.472 35.953 48.889 1.00 0.00 SOLV H ATOM 21054 OH2 TIP3 6342 40.908 20.014 47.536 1.00 0.00 SOLV O ATOM 21055 H1 TIP3 6342 40.819 19.895 46.567 1.00 0.00 SOLV H ATOM 21056 H2 TIP3 6342 40.538 19.174 47.873 1.00 0.00 SOLV H ATOM 21057 OH2 TIP3 6343 39.184 36.730 55.358 1.00 0.00 SOLV O ATOM 21058 H1 TIP3 6343 39.892 36.570 56.027 1.00 0.00 SOLV H ATOM 21059 H2 TIP3 6343 38.984 35.818 55.098 1.00 0.00 SOLV H ATOM 21060 OH2 TIP3 6344 43.494 35.281 56.642 1.00 0.00 SOLV O ATOM 21061 H1 TIP3 6344 44.269 34.843 57.018 1.00 0.00 SOLV H ATOM 21062 H2 TIP3 6344 43.388 34.794 55.802 1.00 0.00 SOLV H ATOM 21063 OH2 TIP3 6345 50.283 33.502 55.074 1.00 0.00 SOLV O ATOM 21064 H1 TIP3 6345 49.870 32.875 55.707 1.00 0.00 SOLV H ATOM 21065 H2 TIP3 6345 50.918 33.951 55.665 1.00 0.00 SOLV H ATOM 21066 OH2 TIP3 6346 39.001 30.335 56.064 1.00 0.00 SOLV O ATOM 21067 H1 TIP3 6346 39.050 29.370 55.915 1.00 0.00 SOLV H ATOM 21068 H2 TIP3 6346 38.313 30.604 55.418 1.00 0.00 SOLV H ATOM 21069 OH2 TIP3 6347 45.583 30.419 55.555 1.00 0.00 SOLV O ATOM 21070 H1 TIP3 6347 45.311 30.814 54.702 1.00 0.00 SOLV H ATOM 21071 H2 TIP3 6347 45.740 29.479 55.327 1.00 0.00 SOLV H ATOM 21072 OH2 TIP3 6348 51.234 30.126 52.991 1.00 0.00 SOLV O ATOM 21073 H1 TIP3 6348 52.123 30.533 52.896 1.00 0.00 SOLV H ATOM 21074 H2 TIP3 6348 50.750 30.780 53.508 1.00 0.00 SOLV H ATOM 21075 OH2 TIP3 6349 39.832 27.676 55.556 1.00 0.00 SOLV O ATOM 21076 H1 TIP3 6349 40.598 27.171 55.258 1.00 0.00 SOLV H ATOM 21077 H2 TIP3 6349 39.979 27.712 56.527 1.00 0.00 SOLV H ATOM 21078 OH2 TIP3 6350 49.016 29.100 56.251 1.00 0.00 SOLV O ATOM 21079 H1 TIP3 6350 49.819 28.601 56.065 1.00 0.00 SOLV H ATOM 21080 H2 TIP3 6350 48.525 28.459 56.799 1.00 0.00 SOLV H ATOM 21081 OH2 TIP3 6351 46.349 28.020 52.214 1.00 0.00 SOLV O ATOM 21082 H1 TIP3 6351 46.416 27.175 51.748 1.00 0.00 SOLV H ATOM 21083 H2 TIP3 6351 45.770 28.538 51.614 1.00 0.00 SOLV H ATOM 21084 OH2 TIP3 6352 50.365 25.402 56.469 1.00 0.00 SOLV O ATOM 21085 H1 TIP3 6352 50.628 24.473 56.573 1.00 0.00 SOLV H ATOM 21086 H2 TIP3 6352 51.222 25.848 56.414 1.00 0.00 SOLV H ATOM 21087 OH2 TIP3 6353 51.917 28.194 54.773 1.00 0.00 SOLV O ATOM 21088 H1 TIP3 6353 51.600 28.894 54.164 1.00 0.00 SOLV H ATOM 21089 H2 TIP3 6353 52.891 28.308 54.681 1.00 0.00 SOLV H ATOM 21090 OH2 TIP3 6354 42.801 24.693 55.825 1.00 0.00 SOLV O ATOM 21091 H1 TIP3 6354 42.026 24.083 55.809 1.00 0.00 SOLV H ATOM 21092 H2 TIP3 6354 42.889 24.900 54.885 1.00 0.00 SOLV H ATOM 21093 OH2 TIP3 6355 45.230 19.739 51.994 1.00 0.00 SOLV O ATOM 21094 H1 TIP3 6355 44.856 20.608 51.765 1.00 0.00 SOLV H ATOM 21095 H2 TIP3 6355 44.582 19.145 51.564 1.00 0.00 SOLV H ATOM 21096 OH2 TIP3 6356 46.693 23.684 55.434 1.00 0.00 SOLV O ATOM 21097 H1 TIP3 6356 46.214 23.422 56.247 1.00 0.00 SOLV H ATOM 21098 H2 TIP3 6356 45.987 23.572 54.784 1.00 0.00 SOLV H ATOM 21099 OH2 TIP3 6357 49.248 23.066 54.532 1.00 0.00 SOLV O ATOM 21100 H1 TIP3 6357 48.377 23.106 54.975 1.00 0.00 SOLV H ATOM 21101 H2 TIP3 6357 49.780 22.543 55.168 1.00 0.00 SOLV H ATOM 21102 OH2 TIP3 6358 50.982 21.850 56.347 1.00 0.00 SOLV O ATOM 21103 H1 TIP3 6358 50.957 20.871 56.271 1.00 0.00 SOLV H ATOM 21104 H2 TIP3 6358 50.723 21.992 57.282 1.00 0.00 SOLV H ATOM 21105 OH2 TIP3 6359 40.787 22.896 55.674 1.00 0.00 SOLV O ATOM 21106 H1 TIP3 6359 40.619 22.343 54.890 1.00 0.00 SOLV H ATOM 21107 H2 TIP3 6359 40.783 22.252 56.408 1.00 0.00 SOLV H ATOM 21108 OH2 TIP3 6360 45.532 19.022 54.639 1.00 0.00 SOLV O ATOM 21109 H1 TIP3 6360 46.055 18.205 54.512 1.00 0.00 SOLV H ATOM 21110 H2 TIP3 6360 45.359 19.275 53.709 1.00 0.00 SOLV H ATOM 21111 OH2 TIP3 6361 46.051 20.599 56.809 1.00 0.00 SOLV O ATOM 21112 H1 TIP3 6361 45.922 20.066 55.992 1.00 0.00 SOLV H ATOM 21113 H2 TIP3 6361 45.389 21.312 56.693 1.00 0.00 SOLV H ATOM 21114 OH2 TIP3 6362 56.137 36.263 49.333 1.00 0.00 SOLV O ATOM 21115 H1 TIP3 6362 56.105 36.337 50.308 1.00 0.00 SOLV H ATOM 21116 H2 TIP3 6362 56.959 36.732 49.129 1.00 0.00 SOLV H ATOM 21117 OH2 TIP3 6363 55.805 35.875 52.077 1.00 0.00 SOLV O ATOM 21118 H1 TIP3 6363 55.332 35.069 51.788 1.00 0.00 SOLV H ATOM 21119 H2 TIP3 6363 56.267 35.533 52.859 1.00 0.00 SOLV H ATOM 21120 OH2 TIP3 6364 54.117 31.649 56.836 1.00 0.00 SOLV O ATOM 21121 H1 TIP3 6364 53.281 31.756 57.335 1.00 0.00 SOLV H ATOM 21122 H2 TIP3 6364 54.637 32.400 57.187 1.00 0.00 SOLV H ATOM 21123 OH2 TIP3 6365 55.576 29.882 42.195 1.00 0.00 SOLV O ATOM 21124 H1 TIP3 6365 56.342 30.495 42.212 1.00 0.00 SOLV H ATOM 21125 H2 TIP3 6365 55.760 29.311 42.976 1.00 0.00 SOLV H ATOM 21126 OH2 TIP3 6366 55.949 28.002 44.165 1.00 0.00 SOLV O ATOM 21127 H1 TIP3 6366 55.091 27.632 44.464 1.00 0.00 SOLV H ATOM 21128 H2 TIP3 6366 56.462 28.055 44.999 1.00 0.00 SOLV H ATOM 21129 OH2 TIP3 6367 55.759 30.923 49.058 1.00 0.00 SOLV O ATOM 21130 H1 TIP3 6367 56.365 30.216 48.749 1.00 0.00 SOLV H ATOM 21131 H2 TIP3 6367 56.206 31.730 48.725 1.00 0.00 SOLV H ATOM 21132 OH2 TIP3 6368 54.127 33.713 51.412 1.00 0.00 SOLV O ATOM 21133 H1 TIP3 6368 53.505 34.298 51.892 1.00 0.00 SOLV H ATOM 21134 H2 TIP3 6368 53.668 33.591 50.557 1.00 0.00 SOLV H ATOM 21135 OH2 TIP3 6369 56.230 27.919 40.427 1.00 0.00 SOLV O ATOM 21136 H1 TIP3 6369 55.680 28.069 39.649 1.00 0.00 SOLV H ATOM 21137 H2 TIP3 6369 55.929 28.637 41.029 1.00 0.00 SOLV H ATOM 21138 OH2 TIP3 6370 54.566 25.199 38.925 1.00 0.00 SOLV O ATOM 21139 H1 TIP3 6370 55.024 25.583 38.146 1.00 0.00 SOLV H ATOM 21140 H2 TIP3 6370 54.182 24.392 38.521 1.00 0.00 SOLV H ATOM 21141 OH2 TIP3 6371 53.504 26.775 44.694 1.00 0.00 SOLV O ATOM 21142 H1 TIP3 6371 53.512 25.864 44.350 1.00 0.00 SOLV H ATOM 21143 H2 TIP3 6371 53.144 26.657 45.600 1.00 0.00 SOLV H ATOM 21144 OH2 TIP3 6372 38.651 28.610 48.692 1.00 0.00 SOLV O ATOM 21145 H1 TIP3 6372 39.176 28.599 47.879 1.00 0.00 SOLV H ATOM 21146 H2 TIP3 6372 39.373 28.339 49.312 1.00 0.00 SOLV H ATOM 21147 OH2 TIP3 6373 54.618 28.632 54.514 1.00 0.00 SOLV O ATOM 21148 H1 TIP3 6373 55.206 27.858 54.369 1.00 0.00 SOLV H ATOM 21149 H2 TIP3 6373 55.157 29.367 54.178 1.00 0.00 SOLV H ATOM 21150 OH2 TIP3 6374 56.014 26.300 54.357 1.00 0.00 SOLV O ATOM 21151 H1 TIP3 6374 55.121 25.912 54.483 1.00 0.00 SOLV H ATOM 21152 H2 TIP3 6374 56.568 25.531 54.612 1.00 0.00 SOLV H ATOM 21153 OH2 TIP3 6375 53.823 22.749 37.869 1.00 0.00 SOLV O ATOM 21154 H1 TIP3 6375 54.217 22.177 38.555 1.00 0.00 SOLV H ATOM 21155 H2 TIP3 6375 52.929 22.379 37.753 1.00 0.00 SOLV H ATOM 21156 OH2 TIP3 6376 53.510 24.285 42.968 1.00 0.00 SOLV O ATOM 21157 H1 TIP3 6376 53.740 23.324 43.000 1.00 0.00 SOLV H ATOM 21158 H2 TIP3 6376 54.272 24.619 42.460 1.00 0.00 SOLV H ATOM 21159 OH2 TIP3 6377 53.801 24.594 48.455 1.00 0.00 SOLV O ATOM 21160 H1 TIP3 6377 54.765 24.722 48.302 1.00 0.00 SOLV H ATOM 21161 H2 TIP3 6377 53.778 24.744 49.421 1.00 0.00 SOLV H ATOM 21162 OH2 TIP3 6378 54.140 25.433 51.130 1.00 0.00 SOLV O ATOM 21163 H1 TIP3 6378 53.330 25.779 51.549 1.00 0.00 SOLV H ATOM 21164 H2 TIP3 6378 54.672 26.250 51.017 1.00 0.00 SOLV H ATOM 21165 OH2 TIP3 6379 38.218 23.955 54.958 1.00 0.00 SOLV O ATOM 21166 H1 TIP3 6379 39.153 23.715 54.807 1.00 0.00 SOLV H ATOM 21167 H2 TIP3 6379 37.825 23.059 54.941 1.00 0.00 SOLV H ATOM 21168 OH2 TIP3 6380 56.331 19.662 56.478 1.00 0.00 SOLV O ATOM 21169 H1 TIP3 6380 56.962 19.008 56.108 1.00 0.00 SOLV H ATOM 21170 H2 TIP3 6380 56.310 20.342 55.771 1.00 0.00 SOLV H ATOM 21171 OH2 TIP3 6381 54.027 21.588 43.062 1.00 0.00 SOLV O ATOM 21172 H1 TIP3 6381 54.220 21.147 43.916 1.00 0.00 SOLV H ATOM 21173 H2 TIP3 6381 53.344 20.984 42.701 1.00 0.00 SOLV H ATOM 21174 OH2 TIP3 6382 39.376 22.385 47.675 1.00 0.00 SOLV O ATOM 21175 H1 TIP3 6382 39.859 21.537 47.735 1.00 0.00 SOLV H ATOM 21176 H2 TIP3 6382 40.078 23.001 47.963 1.00 0.00 SOLV H ATOM 21177 OH2 TIP3 6383 37.639 25.284 48.482 1.00 0.00 SOLV O ATOM 21178 H1 TIP3 6383 38.396 25.332 47.855 1.00 0.00 SOLV H ATOM 21179 H2 TIP3 6383 38.020 25.711 49.256 1.00 0.00 SOLV H ATOM 21180 OH2 TIP3 6384 55.776 21.529 54.577 1.00 0.00 SOLV O ATOM 21181 H1 TIP3 6384 54.974 22.080 54.693 1.00 0.00 SOLV H ATOM 21182 H2 TIP3 6384 55.485 20.976 53.824 1.00 0.00 SOLV H ATOM 21183 OH2 TIP3 6385 55.596 21.381 39.667 1.00 0.00 SOLV O ATOM 21184 H1 TIP3 6385 56.040 20.800 39.013 1.00 0.00 SOLV H ATOM 21185 H2 TIP3 6385 56.329 21.952 39.972 1.00 0.00 SOLV H ATOM 21186 OH2 TIP3 6386 38.361 21.398 42.436 1.00 0.00 SOLV O ATOM 21187 H1 TIP3 6386 37.482 21.563 42.802 1.00 0.00 SOLV H ATOM 21188 H2 TIP3 6386 38.546 22.245 41.973 1.00 0.00 SOLV H ATOM 21189 OH2 TIP3 6387 52.770 36.548 44.501 1.00 0.00 SOLV O ATOM 21190 H1 TIP3 6387 53.585 36.611 43.970 1.00 0.00 SOLV H ATOM 21191 H2 TIP3 6387 53.055 36.949 45.347 1.00 0.00 SOLV H ATOM 21192 OH2 TIP3 6388 38.219 20.142 50.980 1.00 0.00 SOLV O ATOM 21193 H1 TIP3 6388 37.521 20.072 51.651 1.00 0.00 SOLV H ATOM 21194 H2 TIP3 6388 37.789 20.731 50.328 1.00 0.00 SOLV H ATOM 21195 OH2 TIP3 6389 40.351 33.783 55.175 1.00 0.00 SOLV O ATOM 21196 H1 TIP3 6389 39.441 33.743 54.825 1.00 0.00 SOLV H ATOM 21197 H2 TIP3 6389 40.249 33.399 56.056 1.00 0.00 SOLV H ATOM 21198 OH2 TIP3 6390 43.166 34.522 51.439 1.00 0.00 SOLV O ATOM 21199 H1 TIP3 6390 42.736 35.373 51.578 1.00 0.00 SOLV H ATOM 21200 H2 TIP3 6390 44.076 34.786 51.177 1.00 0.00 SOLV H ATOM 21201 OH2 TIP3 6391 47.515 35.903 54.392 1.00 0.00 SOLV O ATOM 21202 H1 TIP3 6391 47.628 35.540 55.300 1.00 0.00 SOLV H ATOM 21203 H2 TIP3 6391 48.402 36.302 54.256 1.00 0.00 SOLV H ATOM 21204 OH2 TIP3 6392 49.964 37.101 54.022 1.00 0.00 SOLV O ATOM 21205 H1 TIP3 6392 50.808 36.725 53.742 1.00 0.00 SOLV H ATOM 21206 H2 TIP3 6392 50.264 37.533 54.857 1.00 0.00 SOLV H ATOM 21207 OH2 TIP3 6393 54.837 19.617 52.749 1.00 0.00 SOLV O ATOM 21208 H1 TIP3 6393 54.059 19.691 52.169 1.00 0.00 SOLV H ATOM 21209 H2 TIP3 6393 55.110 18.686 52.569 1.00 0.00 SOLV H ATOM 21210 OH2 TIP3 6394 40.619 37.618 51.433 1.00 0.00 SOLV O ATOM 21211 H1 TIP3 6394 39.764 37.986 51.140 1.00 0.00 SOLV H ATOM 21212 H2 TIP3 6394 40.740 38.128 52.264 1.00 0.00 SOLV H ATOM 21213 OH2 TIP3 6395 47.861 36.743 49.925 1.00 0.00 SOLV O ATOM 21214 H1 TIP3 6395 47.427 37.307 49.257 1.00 0.00 SOLV H ATOM 21215 H2 TIP3 6395 48.146 37.408 50.586 1.00 0.00 SOLV H ATOM 21216 OH2 TIP3 6396 52.746 37.488 50.985 1.00 0.00 SOLV O ATOM 21217 H1 TIP3 6396 52.752 38.431 50.706 1.00 0.00 SOLV H ATOM 21218 H2 TIP3 6396 52.926 37.031 50.139 1.00 0.00 SOLV H ATOM 21219 OH2 TIP3 6397 48.200 21.066 47.166 1.00 0.00 SOLV O ATOM 21220 H1 TIP3 6397 47.574 20.340 47.325 1.00 0.00 SOLV H ATOM 21221 H2 TIP3 6397 48.974 20.603 46.788 1.00 0.00 SOLV H ATOM 21222 OH2 TIP3 6398 53.195 19.196 47.109 1.00 0.00 SOLV O ATOM 21223 H1 TIP3 6398 53.813 19.762 46.595 1.00 0.00 SOLV H ATOM 21224 H2 TIP3 6398 52.333 19.596 46.889 1.00 0.00 SOLV H ATOM 21225 OH2 TIP3 6399 54.926 20.353 45.350 1.00 0.00 SOLV O ATOM 21226 H1 TIP3 6399 55.662 19.762 45.081 1.00 0.00 SOLV H ATOM 21227 H2 TIP3 6399 55.427 21.184 45.516 1.00 0.00 SOLV H ATOM 21228 OH2 TIP3 6400 40.545 19.685 44.776 1.00 0.00 SOLV O ATOM 21229 H1 TIP3 6400 39.613 19.497 44.524 1.00 0.00 SOLV H ATOM 21230 H2 TIP3 6400 40.932 18.793 44.647 1.00 0.00 SOLV H ATOM 21231 OH2 TIP3 6401 39.264 19.491 40.632 1.00 0.00 SOLV O ATOM 21232 H1 TIP3 6401 39.912 20.041 40.139 1.00 0.00 SOLV H ATOM 21233 H2 TIP3 6401 38.985 20.127 41.327 1.00 0.00 SOLV H ATOM 21234 OH2 TIP3 6402 45.256 19.345 44.822 1.00 0.00 SOLV O ATOM 21235 H1 TIP3 6402 45.984 19.830 44.397 1.00 0.00 SOLV H ATOM 21236 H2 TIP3 6402 45.432 19.491 45.764 1.00 0.00 SOLV H ATOM 21237 OH2 TIP3 6403 50.559 19.823 46.231 1.00 0.00 SOLV O ATOM 21238 H1 TIP3 6403 50.800 19.533 45.341 1.00 0.00 SOLV H ATOM 21239 H2 TIP3 6403 50.236 18.978 46.626 1.00 0.00 SOLV H ATOM 21240 OH2 TIP3 6404 52.030 19.905 42.087 1.00 0.00 SOLV O ATOM 21241 H1 TIP3 6404 51.212 20.430 42.187 1.00 0.00 SOLV H ATOM 21242 H2 TIP3 6404 51.675 19.000 42.232 1.00 0.00 SOLV H ATOM 21243 OH2 TIP3 6405 41.240 21.117 39.477 1.00 0.00 SOLV O ATOM 21244 H1 TIP3 6405 41.655 20.748 38.668 1.00 0.00 SOLV H ATOM 21245 H2 TIP3 6405 42.042 21.389 39.970 1.00 0.00 SOLV H ATOM 21246 OH2 TIP3 6406 46.220 22.010 41.561 1.00 0.00 SOLV O ATOM 21247 H1 TIP3 6406 46.456 21.307 42.190 1.00 0.00 SOLV H ATOM 21248 H2 TIP3 6406 46.476 22.795 42.097 1.00 0.00 SOLV H ATOM 21249 OH2 TIP3 6407 55.021 36.356 42.684 1.00 0.00 SOLV O ATOM 21250 H1 TIP3 6407 54.685 35.438 42.553 1.00 0.00 SOLV H ATOM 21251 H2 TIP3 6407 55.238 36.577 41.768 1.00 0.00 SOLV H ATOM 21252 OH2 TIP3 6408 40.505 19.917 54.151 1.00 0.00 SOLV O ATOM 21253 H1 TIP3 6408 39.921 19.240 54.558 1.00 0.00 SOLV H ATOM 21254 H2 TIP3 6408 41.261 19.896 54.773 1.00 0.00 SOLV H ATOM 21255 OH2 TIP3 6409 42.553 19.597 56.064 1.00 0.00 SOLV O ATOM 21256 H1 TIP3 6409 43.431 19.270 55.810 1.00 0.00 SOLV H ATOM 21257 H2 TIP3 6409 42.159 18.803 56.482 1.00 0.00 SOLV H ATOM 21258 OH2 TIP3 6410 51.166 19.068 56.148 1.00 0.00 SOLV O ATOM 21259 H1 TIP3 6410 51.018 18.563 56.979 1.00 0.00 SOLV H ATOM 21260 H2 TIP3 6410 52.118 18.898 55.989 1.00 0.00 SOLV H ATOM 21261 OH2 TIP3 6411 54.232 35.311 55.027 1.00 0.00 SOLV O ATOM 21262 H1 TIP3 6411 53.563 35.466 54.340 1.00 0.00 SOLV H ATOM 21263 H2 TIP3 6411 54.212 36.169 55.521 1.00 0.00 SOLV H ATOM 21264 OH2 TIP3 6412 68.511 28.638 44.466 1.00 0.00 SOLV O ATOM 21265 H1 TIP3 6412 68.620 29.571 44.720 1.00 0.00 SOLV H ATOM 21266 H2 TIP3 6412 67.714 28.718 43.934 1.00 0.00 SOLV H ATOM 21267 OH2 TIP3 6413 67.066 28.434 48.387 1.00 0.00 SOLV O ATOM 21268 H1 TIP3 6413 67.904 27.962 48.564 1.00 0.00 SOLV H ATOM 21269 H2 TIP3 6413 66.700 27.886 47.680 1.00 0.00 SOLV H ATOM 21270 OH2 TIP3 6414 59.614 27.768 49.889 1.00 0.00 SOLV O ATOM 21271 H1 TIP3 6414 59.639 26.927 50.383 1.00 0.00 SOLV H ATOM 21272 H2 TIP3 6414 60.506 28.104 50.051 1.00 0.00 SOLV H ATOM 21273 OH2 TIP3 6415 60.799 32.369 48.087 1.00 0.00 SOLV O ATOM 21274 H1 TIP3 6415 60.606 31.438 47.844 1.00 0.00 SOLV H ATOM 21275 H2 TIP3 6415 61.757 32.309 48.266 1.00 0.00 SOLV H ATOM 21276 OH2 TIP3 6416 57.505 25.656 43.413 1.00 0.00 SOLV O ATOM 21277 H1 TIP3 6416 57.089 26.475 43.729 1.00 0.00 SOLV H ATOM 21278 H2 TIP3 6416 56.871 25.393 42.720 1.00 0.00 SOLV H ATOM 21279 OH2 TIP3 6417 57.872 27.966 46.140 1.00 0.00 SOLV O ATOM 21280 H1 TIP3 6417 58.180 27.053 46.344 1.00 0.00 SOLV H ATOM 21281 H2 TIP3 6417 58.701 28.402 45.897 1.00 0.00 SOLV H ATOM 21282 OH2 TIP3 6418 67.578 36.413 46.836 1.00 0.00 SOLV O ATOM 21283 H1 TIP3 6418 68.478 36.137 46.559 1.00 0.00 SOLV H ATOM 21284 H2 TIP3 6418 67.507 36.042 47.728 1.00 0.00 SOLV H ATOM 21285 OH2 TIP3 6419 65.587 30.750 48.784 1.00 0.00 SOLV O ATOM 21286 H1 TIP3 6419 65.994 29.872 48.600 1.00 0.00 SOLV H ATOM 21287 H2 TIP3 6419 66.369 31.185 49.170 1.00 0.00 SOLV H ATOM 21288 OH2 TIP3 6420 68.579 24.052 49.232 1.00 0.00 SOLV O ATOM 21289 H1 TIP3 6420 68.848 23.249 48.773 1.00 0.00 SOLV H ATOM 21290 H2 TIP3 6420 68.634 24.711 48.524 1.00 0.00 SOLV H ATOM 21291 OH2 TIP3 6421 62.313 23.076 46.246 1.00 0.00 SOLV O ATOM 21292 H1 TIP3 6421 62.455 23.915 45.762 1.00 0.00 SOLV H ATOM 21293 H2 TIP3 6421 61.863 22.548 45.552 1.00 0.00 SOLV H ATOM 21294 OH2 TIP3 6422 58.797 25.506 46.879 1.00 0.00 SOLV O ATOM 21295 H1 TIP3 6422 59.434 25.071 47.478 1.00 0.00 SOLV H ATOM 21296 H2 TIP3 6422 59.076 25.107 46.025 1.00 0.00 SOLV H ATOM 21297 OH2 TIP3 6423 63.721 26.960 46.466 1.00 0.00 SOLV O ATOM 21298 H1 TIP3 6423 64.496 26.451 46.805 1.00 0.00 SOLV H ATOM 21299 H2 TIP3 6423 63.319 26.295 45.864 1.00 0.00 SOLV H ATOM 21300 OH2 TIP3 6424 61.047 22.098 50.302 1.00 0.00 SOLV O ATOM 21301 H1 TIP3 6424 60.749 22.699 49.592 1.00 0.00 SOLV H ATOM 21302 H2 TIP3 6424 60.321 22.220 50.950 1.00 0.00 SOLV H ATOM 21303 OH2 TIP3 6425 67.945 31.526 43.836 1.00 0.00 SOLV O ATOM 21304 H1 TIP3 6425 67.980 31.720 42.887 1.00 0.00 SOLV H ATOM 21305 H2 TIP3 6425 67.741 32.410 44.199 1.00 0.00 SOLV H ATOM 21306 OH2 TIP3 6426 63.637 29.780 50.356 1.00 0.00 SOLV O ATOM 21307 H1 TIP3 6426 63.119 30.529 50.729 1.00 0.00 SOLV H ATOM 21308 H2 TIP3 6426 64.308 30.262 49.823 1.00 0.00 SOLV H ATOM 21309 OH2 TIP3 6427 60.609 23.864 48.216 1.00 0.00 SOLV O ATOM 21310 H1 TIP3 6427 61.233 24.406 48.750 1.00 0.00 SOLV H ATOM 21311 H2 TIP3 6427 61.231 23.525 47.529 1.00 0.00 SOLV H ATOM 21312 OH2 TIP3 6428 62.118 31.857 51.392 1.00 0.00 SOLV O ATOM 21313 H1 TIP3 6428 62.108 32.829 51.262 1.00 0.00 SOLV H ATOM 21314 H2 TIP3 6428 61.176 31.718 51.635 1.00 0.00 SOLV H ATOM 21315 OH2 TIP3 6429 57.874 31.519 41.992 1.00 0.00 SOLV O ATOM 21316 H1 TIP3 6429 57.767 32.012 41.158 1.00 0.00 SOLV H ATOM 21317 H2 TIP3 6429 58.226 32.217 42.585 1.00 0.00 SOLV H ATOM 21318 OH2 TIP3 6430 64.631 19.206 47.757 1.00 0.00 SOLV O ATOM 21319 H1 TIP3 6430 64.377 18.263 47.699 1.00 0.00 SOLV H ATOM 21320 H2 TIP3 6430 63.805 19.595 48.128 1.00 0.00 SOLV H ATOM 21321 OH2 TIP3 6431 67.337 28.307 41.678 1.00 0.00 SOLV O ATOM 21322 H1 TIP3 6431 66.511 28.834 41.653 1.00 0.00 SOLV H ATOM 21323 H2 TIP3 6431 67.988 29.024 41.735 1.00 0.00 SOLV H ATOM 21324 OH2 TIP3 6432 67.107 26.619 39.015 1.00 0.00 SOLV O ATOM 21325 H1 TIP3 6432 67.304 26.993 39.890 1.00 0.00 SOLV H ATOM 21326 H2 TIP3 6432 67.533 25.748 39.035 1.00 0.00 SOLV H ATOM 21327 OH2 TIP3 6433 62.271 28.953 45.245 1.00 0.00 SOLV O ATOM 21328 H1 TIP3 6433 62.016 28.578 44.376 1.00 0.00 SOLV H ATOM 21329 H2 TIP3 6433 62.827 28.237 45.623 1.00 0.00 SOLV H ATOM 21330 OH2 TIP3 6434 63.609 32.504 47.828 1.00 0.00 SOLV O ATOM 21331 H1 TIP3 6434 63.693 32.447 46.861 1.00 0.00 SOLV H ATOM 21332 H2 TIP3 6434 64.302 31.881 48.134 1.00 0.00 SOLV H ATOM 21333 OH2 TIP3 6435 62.457 27.834 48.806 1.00 0.00 SOLV O ATOM 21334 H1 TIP3 6435 63.017 27.621 48.027 1.00 0.00 SOLV H ATOM 21335 H2 TIP3 6435 62.994 28.505 49.280 1.00 0.00 SOLV H ATOM 21336 OH2 TIP3 6436 68.449 33.680 50.135 1.00 0.00 SOLV O ATOM 21337 H1 TIP3 6436 69.333 33.886 50.490 1.00 0.00 SOLV H ATOM 21338 H2 TIP3 6436 68.298 32.773 50.365 1.00 0.00 SOLV H ATOM 21339 OH2 TIP3 6437 63.611 32.111 53.668 1.00 0.00 SOLV O ATOM 21340 H1 TIP3 6437 62.976 32.772 54.029 1.00 0.00 SOLV H ATOM 21341 H2 TIP3 6437 63.147 31.873 52.838 1.00 0.00 SOLV H ATOM 21342 OH2 TIP3 6438 60.553 28.144 52.989 1.00 0.00 SOLV O ATOM 21343 H1 TIP3 6438 60.616 28.952 53.539 1.00 0.00 SOLV H ATOM 21344 H2 TIP3 6438 59.585 28.119 52.835 1.00 0.00 SOLV H ATOM 21345 OH2 TIP3 6439 67.470 34.316 44.376 1.00 0.00 SOLV O ATOM 21346 H1 TIP3 6439 67.338 34.807 45.200 1.00 0.00 SOLV H ATOM 21347 H2 TIP3 6439 67.222 34.992 43.722 1.00 0.00 SOLV H ATOM 21348 OH2 TIP3 6440 61.744 34.020 54.274 1.00 0.00 SOLV O ATOM 21349 H1 TIP3 6440 61.656 34.356 53.362 1.00 0.00 SOLV H ATOM 21350 H2 TIP3 6440 60.807 33.833 54.521 1.00 0.00 SOLV H ATOM 21351 OH2 TIP3 6441 61.405 28.118 42.643 1.00 0.00 SOLV O ATOM 21352 H1 TIP3 6441 60.848 28.752 42.141 1.00 0.00 SOLV H ATOM 21353 H2 TIP3 6441 60.927 27.290 42.521 1.00 0.00 SOLV H ATOM 21354 OH2 TIP3 6442 57.250 30.474 51.689 1.00 0.00 SOLV O ATOM 21355 H1 TIP3 6442 56.831 30.464 50.812 1.00 0.00 SOLV H ATOM 21356 H2 TIP3 6442 57.491 29.534 51.826 1.00 0.00 SOLV H ATOM 21357 OH2 TIP3 6443 57.212 33.274 48.352 1.00 0.00 SOLV O ATOM 21358 H1 TIP3 6443 58.158 33.101 48.468 1.00 0.00 SOLV H ATOM 21359 H2 TIP3 6443 57.062 33.941 49.042 1.00 0.00 SOLV H ATOM 21360 OH2 TIP3 6444 66.015 33.248 53.060 1.00 0.00 SOLV O ATOM 21361 H1 TIP3 6444 65.998 34.108 53.506 1.00 0.00 SOLV H ATOM 21362 H2 TIP3 6444 65.149 32.869 53.321 1.00 0.00 SOLV H ATOM 21363 OH2 TIP3 6445 66.781 37.020 42.859 1.00 0.00 SOLV O ATOM 21364 H1 TIP3 6445 66.749 37.156 41.901 1.00 0.00 SOLV H ATOM 21365 H2 TIP3 6445 66.775 37.924 43.212 1.00 0.00 SOLV H ATOM 21366 OH2 TIP3 6446 60.353 35.934 44.817 1.00 0.00 SOLV O ATOM 21367 H1 TIP3 6446 60.548 35.597 45.720 1.00 0.00 SOLV H ATOM 21368 H2 TIP3 6446 59.862 35.185 44.435 1.00 0.00 SOLV H ATOM 21369 OH2 TIP3 6447 59.541 31.897 52.330 1.00 0.00 SOLV O ATOM 21370 H1 TIP3 6447 59.737 31.557 53.224 1.00 0.00 SOLV H ATOM 21371 H2 TIP3 6447 58.708 31.429 52.121 1.00 0.00 SOLV H ATOM 21372 OH2 TIP3 6448 62.213 20.160 48.682 1.00 0.00 SOLV O ATOM 21373 H1 TIP3 6448 61.435 20.116 48.089 1.00 0.00 SOLV H ATOM 21374 H2 TIP3 6448 61.925 20.885 49.273 1.00 0.00 SOLV H ATOM 21375 OH2 TIP3 6449 66.869 19.736 52.031 1.00 0.00 SOLV O ATOM 21376 H1 TIP3 6449 66.944 19.293 52.888 1.00 0.00 SOLV H ATOM 21377 H2 TIP3 6449 65.889 19.702 51.915 1.00 0.00 SOLV H ATOM 21378 OH2 TIP3 6450 66.613 22.259 39.324 1.00 0.00 SOLV O ATOM 21379 H1 TIP3 6450 66.082 22.167 40.137 1.00 0.00 SOLV H ATOM 21380 H2 TIP3 6450 66.112 21.659 38.738 1.00 0.00 SOLV H ATOM 21381 OH2 TIP3 6451 62.285 25.315 49.843 1.00 0.00 SOLV O ATOM 21382 H1 TIP3 6451 61.604 25.414 50.540 1.00 0.00 SOLV H ATOM 21383 H2 TIP3 6451 62.355 26.236 49.510 1.00 0.00 SOLV H ATOM 21384 OH2 TIP3 6452 62.311 25.352 44.741 1.00 0.00 SOLV O ATOM 21385 H1 TIP3 6452 61.340 25.212 44.703 1.00 0.00 SOLV H ATOM 21386 H2 TIP3 6452 62.544 25.075 43.828 1.00 0.00 SOLV H ATOM 21387 OH2 TIP3 6453 67.520 25.749 43.112 1.00 0.00 SOLV O ATOM 21388 H1 TIP3 6453 67.103 26.601 43.309 1.00 0.00 SOLV H ATOM 21389 H2 TIP3 6453 67.737 25.875 42.180 1.00 0.00 SOLV H ATOM 21390 OH2 TIP3 6454 67.057 25.808 54.654 1.00 0.00 SOLV O ATOM 21391 H1 TIP3 6454 66.543 25.108 55.110 1.00 0.00 SOLV H ATOM 21392 H2 TIP3 6454 67.954 25.656 54.984 1.00 0.00 SOLV H ATOM 21393 OH2 TIP3 6455 68.136 24.832 46.333 1.00 0.00 SOLV O ATOM 21394 H1 TIP3 6455 68.526 25.555 45.832 1.00 0.00 SOLV H ATOM 21395 H2 TIP3 6455 68.536 24.055 45.892 1.00 0.00 SOLV H ATOM 21396 OH2 TIP3 6456 60.056 25.458 51.452 1.00 0.00 SOLV O ATOM 21397 H1 TIP3 6456 60.242 25.867 52.310 1.00 0.00 SOLV H ATOM 21398 H2 TIP3 6456 59.683 24.591 51.712 1.00 0.00 SOLV H ATOM 21399 OH2 TIP3 6457 63.424 22.854 38.197 1.00 0.00 SOLV O ATOM 21400 H1 TIP3 6457 63.013 22.673 39.067 1.00 0.00 SOLV H ATOM 21401 H2 TIP3 6457 62.807 23.533 37.854 1.00 0.00 SOLV H ATOM 21402 OH2 TIP3 6458 56.664 22.407 45.427 1.00 0.00 SOLV O ATOM 21403 H1 TIP3 6458 57.258 22.496 46.199 1.00 0.00 SOLV H ATOM 21404 H2 TIP3 6458 57.268 22.209 44.697 1.00 0.00 SOLV H ATOM 21405 OH2 TIP3 6459 57.477 23.240 40.692 1.00 0.00 SOLV O ATOM 21406 H1 TIP3 6459 58.175 23.651 40.136 1.00 0.00 SOLV H ATOM 21407 H2 TIP3 6459 56.946 24.032 40.895 1.00 0.00 SOLV H ATOM 21408 OH2 TIP3 6460 68.251 26.562 51.186 1.00 0.00 SOLV O ATOM 21409 H1 TIP3 6460 68.490 26.195 50.315 1.00 0.00 SOLV H ATOM 21410 H2 TIP3 6460 67.515 25.965 51.432 1.00 0.00 SOLV H ATOM 21411 OH2 TIP3 6461 65.050 22.879 45.688 1.00 0.00 SOLV O ATOM 21412 H1 TIP3 6461 64.180 22.831 46.126 1.00 0.00 SOLV H ATOM 21413 H2 TIP3 6461 65.613 22.356 46.293 1.00 0.00 SOLV H ATOM 21414 OH2 TIP3 6462 59.735 24.503 44.506 1.00 0.00 SOLV O ATOM 21415 H1 TIP3 6462 58.945 24.795 43.992 1.00 0.00 SOLV H ATOM 21416 H2 TIP3 6462 59.916 23.615 44.141 1.00 0.00 SOLV H ATOM 21417 OH2 TIP3 6463 62.761 24.453 42.209 1.00 0.00 SOLV O ATOM 21418 H1 TIP3 6463 63.730 24.398 42.351 1.00 0.00 SOLV H ATOM 21419 H2 TIP3 6463 62.683 24.940 41.355 1.00 0.00 SOLV H ATOM 21420 OH2 TIP3 6464 62.402 25.629 39.786 1.00 0.00 SOLV O ATOM 21421 H1 TIP3 6464 61.824 25.360 39.049 1.00 0.00 SOLV H ATOM 21422 H2 TIP3 6464 63.135 26.051 39.293 1.00 0.00 SOLV H ATOM 21423 OH2 TIP3 6465 60.367 30.385 54.713 1.00 0.00 SOLV O ATOM 21424 H1 TIP3 6465 61.022 30.435 55.434 1.00 0.00 SOLV H ATOM 21425 H2 TIP3 6465 59.537 30.401 55.230 1.00 0.00 SOLV H ATOM 21426 OH2 TIP3 6466 65.756 25.523 47.495 1.00 0.00 SOLV O ATOM 21427 H1 TIP3 6466 66.578 25.190 47.071 1.00 0.00 SOLV H ATOM 21428 H2 TIP3 6466 65.620 24.859 48.194 1.00 0.00 SOLV H ATOM 21429 OH2 TIP3 6467 60.944 21.870 44.152 1.00 0.00 SOLV O ATOM 21430 H1 TIP3 6467 60.340 21.127 44.382 1.00 0.00 SOLV H ATOM 21431 H2 TIP3 6467 61.499 21.444 43.486 1.00 0.00 SOLV H ATOM 21432 OH2 TIP3 6468 64.763 24.122 49.946 1.00 0.00 SOLV O ATOM 21433 H1 TIP3 6468 63.953 24.671 49.918 1.00 0.00 SOLV H ATOM 21434 H2 TIP3 6468 65.286 24.544 50.662 1.00 0.00 SOLV H ATOM 21435 OH2 TIP3 6469 65.271 30.139 41.694 1.00 0.00 SOLV O ATOM 21436 H1 TIP3 6469 64.498 29.719 41.253 1.00 0.00 SOLV H ATOM 21437 H2 TIP3 6469 64.878 30.352 42.580 1.00 0.00 SOLV H ATOM 21438 OH2 TIP3 6470 66.995 30.653 52.646 1.00 0.00 SOLV O ATOM 21439 H1 TIP3 6470 66.751 30.329 53.518 1.00 0.00 SOLV H ATOM 21440 H2 TIP3 6470 66.787 31.608 52.722 1.00 0.00 SOLV H ATOM 21441 OH2 TIP3 6471 60.676 29.691 47.366 1.00 0.00 SOLV O ATOM 21442 H1 TIP3 6471 61.229 29.514 46.577 1.00 0.00 SOLV H ATOM 21443 H2 TIP3 6471 60.980 28.992 47.967 1.00 0.00 SOLV H ATOM 21444 OH2 TIP3 6472 67.448 31.653 40.911 1.00 0.00 SOLV O ATOM 21445 H1 TIP3 6472 67.092 32.574 40.930 1.00 0.00 SOLV H ATOM 21446 H2 TIP3 6472 66.648 31.146 41.164 1.00 0.00 SOLV H ATOM 21447 OH2 TIP3 6473 57.781 27.944 52.765 1.00 0.00 SOLV O ATOM 21448 H1 TIP3 6473 57.639 27.599 53.668 1.00 0.00 SOLV H ATOM 21449 H2 TIP3 6473 57.081 27.475 52.279 1.00 0.00 SOLV H ATOM 21450 OH2 TIP3 6474 64.808 27.643 54.849 1.00 0.00 SOLV O ATOM 21451 H1 TIP3 6474 64.184 27.291 54.191 1.00 0.00 SOLV H ATOM 21452 H2 TIP3 6474 65.624 27.165 54.604 1.00 0.00 SOLV H ATOM 21453 OH2 TIP3 6475 63.081 33.189 44.879 1.00 0.00 SOLV O ATOM 21454 H1 TIP3 6475 63.261 34.081 44.520 1.00 0.00 SOLV H ATOM 21455 H2 TIP3 6475 62.124 33.137 44.789 1.00 0.00 SOLV H ATOM 21456 OH2 TIP3 6476 58.838 27.749 39.554 1.00 0.00 SOLV O ATOM 21457 H1 TIP3 6476 59.276 28.476 40.048 1.00 0.00 SOLV H ATOM 21458 H2 TIP3 6476 57.926 27.816 39.910 1.00 0.00 SOLV H ATOM 21459 OH2 TIP3 6477 64.015 30.727 44.003 1.00 0.00 SOLV O ATOM 21460 H1 TIP3 6477 63.805 31.618 44.350 1.00 0.00 SOLV H ATOM 21461 H2 TIP3 6477 63.425 30.164 44.543 1.00 0.00 SOLV H ATOM 21462 OH2 TIP3 6478 64.897 34.894 50.665 1.00 0.00 SOLV O ATOM 21463 H1 TIP3 6478 65.546 35.578 50.366 1.00 0.00 SOLV H ATOM 21464 H2 TIP3 6478 65.506 34.239 51.051 1.00 0.00 SOLV H ATOM 21465 OH2 TIP3 6479 62.960 35.909 43.828 1.00 0.00 SOLV O ATOM 21466 H1 TIP3 6479 62.036 36.076 44.099 1.00 0.00 SOLV H ATOM 21467 H2 TIP3 6479 63.397 36.727 44.156 1.00 0.00 SOLV H ATOM 21468 OH2 TIP3 6480 67.997 30.999 50.124 1.00 0.00 SOLV O ATOM 21469 H1 TIP3 6480 67.650 30.549 50.942 1.00 0.00 SOLV H ATOM 21470 H2 TIP3 6480 68.450 30.259 49.636 1.00 0.00 SOLV H ATOM 21471 OH2 TIP3 6481 59.007 22.829 52.061 1.00 0.00 SOLV O ATOM 21472 H1 TIP3 6481 58.054 23.009 51.930 1.00 0.00 SOLV H ATOM 21473 H2 TIP3 6481 58.980 22.130 52.734 1.00 0.00 SOLV H ATOM 21474 OH2 TIP3 6482 58.839 34.473 50.523 1.00 0.00 SOLV O ATOM 21475 H1 TIP3 6482 59.175 33.676 50.971 1.00 0.00 SOLV H ATOM 21476 H2 TIP3 6482 58.927 35.139 51.219 1.00 0.00 SOLV H ATOM 21477 OH2 TIP3 6483 64.500 33.182 38.013 1.00 0.00 SOLV O ATOM 21478 H1 TIP3 6483 64.705 32.320 37.608 1.00 0.00 SOLV H ATOM 21479 H2 TIP3 6483 64.082 32.901 38.853 1.00 0.00 SOLV H ATOM 21480 OH2 TIP3 6484 63.360 32.669 40.468 1.00 0.00 SOLV O ATOM 21481 H1 TIP3 6484 63.906 32.175 41.094 1.00 0.00 SOLV H ATOM 21482 H2 TIP3 6484 63.473 33.593 40.791 1.00 0.00 SOLV H ATOM 21483 OH2 TIP3 6485 59.837 29.822 41.061 1.00 0.00 SOLV O ATOM 21484 H1 TIP3 6485 59.106 30.301 41.505 1.00 0.00 SOLV H ATOM 21485 H2 TIP3 6485 60.254 30.565 40.580 1.00 0.00 SOLV H ATOM 21486 OH2 TIP3 6486 67.676 22.458 52.108 1.00 0.00 SOLV O ATOM 21487 H1 TIP3 6486 67.783 22.352 53.076 1.00 0.00 SOLV H ATOM 21488 H2 TIP3 6486 67.216 21.641 51.856 1.00 0.00 SOLV H ATOM 21489 OH2 TIP3 6487 67.997 22.596 42.526 1.00 0.00 SOLV O ATOM 21490 H1 TIP3 6487 68.367 22.839 41.663 1.00 0.00 SOLV H ATOM 21491 H2 TIP3 6487 68.447 23.223 43.113 1.00 0.00 SOLV H ATOM 21492 OH2 TIP3 6488 66.402 34.156 41.077 1.00 0.00 SOLV O ATOM 21493 H1 TIP3 6488 65.469 34.406 41.234 1.00 0.00 SOLV H ATOM 21494 H2 TIP3 6488 66.776 35.037 40.919 1.00 0.00 SOLV H ATOM 21495 OH2 TIP3 6489 65.286 24.030 43.230 1.00 0.00 SOLV O ATOM 21496 H1 TIP3 6489 66.118 24.526 43.357 1.00 0.00 SOLV H ATOM 21497 H2 TIP3 6489 65.164 23.649 44.133 1.00 0.00 SOLV H ATOM 21498 OH2 TIP3 6490 66.338 24.827 52.066 1.00 0.00 SOLV O ATOM 21499 H1 TIP3 6490 66.557 25.048 52.989 1.00 0.00 SOLV H ATOM 21500 H2 TIP3 6490 66.849 23.996 51.927 1.00 0.00 SOLV H ATOM 21501 OH2 TIP3 6491 66.345 20.849 43.806 1.00 0.00 SOLV O ATOM 21502 H1 TIP3 6491 66.398 21.195 44.721 1.00 0.00 SOLV H ATOM 21503 H2 TIP3 6491 66.881 21.533 43.339 1.00 0.00 SOLV H ATOM 21504 OH2 TIP3 6492 63.882 35.189 41.334 1.00 0.00 SOLV O ATOM 21505 H1 TIP3 6492 63.891 36.047 40.853 1.00 0.00 SOLV H ATOM 21506 H2 TIP3 6492 63.566 35.479 42.220 1.00 0.00 SOLV H ATOM 21507 OH2 TIP3 6493 62.386 22.198 40.663 1.00 0.00 SOLV O ATOM 21508 H1 TIP3 6493 62.296 22.957 41.276 1.00 0.00 SOLV H ATOM 21509 H2 TIP3 6493 63.271 21.869 40.933 1.00 0.00 SOLV H ATOM 21510 OH2 TIP3 6494 60.729 32.082 39.637 1.00 0.00 SOLV O ATOM 21511 H1 TIP3 6494 61.524 32.503 40.026 1.00 0.00 SOLV H ATOM 21512 H2 TIP3 6494 61.176 31.544 38.947 1.00 0.00 SOLV H ATOM 21513 OH2 TIP3 6495 58.700 25.060 39.043 1.00 0.00 SOLV O ATOM 21514 H1 TIP3 6495 58.920 25.971 39.324 1.00 0.00 SOLV H ATOM 21515 H2 TIP3 6495 58.100 25.221 38.308 1.00 0.00 SOLV H ATOM 21516 OH2 TIP3 6496 59.718 19.981 47.497 1.00 0.00 SOLV O ATOM 21517 H1 TIP3 6496 59.632 19.858 46.527 1.00 0.00 SOLV H ATOM 21518 H2 TIP3 6496 59.354 19.138 47.838 1.00 0.00 SOLV H ATOM 21519 OH2 TIP3 6497 58.626 33.824 43.442 1.00 0.00 SOLV O ATOM 21520 H1 TIP3 6497 57.959 34.061 44.099 1.00 0.00 SOLV H ATOM 21521 H2 TIP3 6497 58.461 34.488 42.725 1.00 0.00 SOLV H ATOM 21522 OH2 TIP3 6498 58.436 36.777 54.936 1.00 0.00 SOLV O ATOM 21523 H1 TIP3 6498 58.934 36.610 55.762 1.00 0.00 SOLV H ATOM 21524 H2 TIP3 6498 57.792 36.060 54.954 1.00 0.00 SOLV H ATOM 21525 OH2 TIP3 6499 62.368 35.187 56.679 1.00 0.00 SOLV O ATOM 21526 H1 TIP3 6499 63.195 34.711 56.861 1.00 0.00 SOLV H ATOM 21527 H2 TIP3 6499 62.147 34.811 55.801 1.00 0.00 SOLV H ATOM 21528 OH2 TIP3 6500 66.867 34.575 37.977 1.00 0.00 SOLV O ATOM 21529 H1 TIP3 6500 65.968 34.186 38.055 1.00 0.00 SOLV H ATOM 21530 H2 TIP3 6500 67.376 33.737 38.002 1.00 0.00 SOLV H ATOM 21531 OH2 TIP3 6501 57.895 30.346 56.041 1.00 0.00 SOLV O ATOM 21532 H1 TIP3 6501 57.900 29.376 55.933 1.00 0.00 SOLV H ATOM 21533 H2 TIP3 6501 57.187 30.614 55.417 1.00 0.00 SOLV H ATOM 21534 OH2 TIP3 6502 62.148 30.327 38.186 1.00 0.00 SOLV O ATOM 21535 H1 TIP3 6502 62.469 29.829 38.962 1.00 0.00 SOLV H ATOM 21536 H2 TIP3 6502 62.988 30.425 37.686 1.00 0.00 SOLV H ATOM 21537 OH2 TIP3 6503 64.459 30.438 55.601 1.00 0.00 SOLV O ATOM 21538 H1 TIP3 6503 64.206 30.947 54.797 1.00 0.00 SOLV H ATOM 21539 H2 TIP3 6503 64.601 29.538 55.246 1.00 0.00 SOLV H ATOM 21540 OH2 TIP3 6504 67.545 31.832 38.049 1.00 0.00 SOLV O ATOM 21541 H1 TIP3 6504 67.724 31.733 39.003 1.00 0.00 SOLV H ATOM 21542 H2 TIP3 6504 67.388 30.905 37.796 1.00 0.00 SOLV H ATOM 21543 OH2 TIP3 6505 58.710 27.633 55.614 1.00 0.00 SOLV O ATOM 21544 H1 TIP3 6505 59.481 27.109 55.369 1.00 0.00 SOLV H ATOM 21545 H2 TIP3 6505 58.810 27.685 56.589 1.00 0.00 SOLV H ATOM 21546 OH2 TIP3 6506 63.252 28.759 40.453 1.00 0.00 SOLV O ATOM 21547 H1 TIP3 6506 62.708 28.283 41.108 1.00 0.00 SOLV H ATOM 21548 H2 TIP3 6506 63.625 28.028 39.916 1.00 0.00 SOLV H ATOM 21549 OH2 TIP3 6507 62.711 26.465 52.918 1.00 0.00 SOLV O ATOM 21550 H1 TIP3 6507 62.017 27.157 52.858 1.00 0.00 SOLV H ATOM 21551 H2 TIP3 6507 63.436 26.863 52.378 1.00 0.00 SOLV H ATOM 21552 OH2 TIP3 6508 64.458 27.007 38.660 1.00 0.00 SOLV O ATOM 21553 H1 TIP3 6508 64.472 27.290 37.721 1.00 0.00 SOLV H ATOM 21554 H2 TIP3 6508 65.407 26.790 38.782 1.00 0.00 SOLV H ATOM 21555 OH2 TIP3 6509 67.845 28.991 56.464 1.00 0.00 SOLV O ATOM 21556 H1 TIP3 6509 68.528 28.402 56.116 1.00 0.00 SOLV H ATOM 21557 H2 TIP3 6509 67.252 28.340 56.880 1.00 0.00 SOLV H ATOM 21558 OH2 TIP3 6510 63.261 23.986 53.801 1.00 0.00 SOLV O ATOM 21559 H1 TIP3 6510 63.314 23.365 53.043 1.00 0.00 SOLV H ATOM 21560 H2 TIP3 6510 63.090 24.844 53.347 1.00 0.00 SOLV H ATOM 21561 OH2 TIP3 6511 63.463 22.275 51.586 1.00 0.00 SOLV O ATOM 21562 H1 TIP3 6511 64.002 22.798 50.957 1.00 0.00 SOLV H ATOM 21563 H2 TIP3 6511 62.597 22.258 51.125 1.00 0.00 SOLV H ATOM 21564 OH2 TIP3 6512 64.727 27.659 51.684 1.00 0.00 SOLV O ATOM 21565 H1 TIP3 6512 65.647 27.599 51.396 1.00 0.00 SOLV H ATOM 21566 H2 TIP3 6512 64.409 28.460 51.216 1.00 0.00 SOLV H ATOM 21567 OH2 TIP3 6513 61.616 24.635 56.014 1.00 0.00 SOLV O ATOM 21568 H1 TIP3 6513 60.818 24.084 55.872 1.00 0.00 SOLV H ATOM 21569 H2 TIP3 6513 62.091 24.511 55.168 1.00 0.00 SOLV H ATOM 21570 OH2 TIP3 6514 64.163 19.584 51.917 1.00 0.00 SOLV O ATOM 21571 H1 TIP3 6514 63.818 20.496 51.799 1.00 0.00 SOLV H ATOM 21572 H2 TIP3 6514 63.449 19.053 51.500 1.00 0.00 SOLV H ATOM 21573 OH2 TIP3 6515 65.478 23.690 55.371 1.00 0.00 SOLV O ATOM 21574 H1 TIP3 6515 64.975 23.379 56.155 1.00 0.00 SOLV H ATOM 21575 H2 TIP3 6515 64.718 23.794 54.752 1.00 0.00 SOLV H ATOM 21576 OH2 TIP3 6516 67.933 22.642 54.798 1.00 0.00 SOLV O ATOM 21577 H1 TIP3 6516 67.034 23.017 54.942 1.00 0.00 SOLV H ATOM 21578 H2 TIP3 6516 67.927 21.921 55.440 1.00 0.00 SOLV H ATOM 21579 OH2 TIP3 6517 59.572 22.771 55.665 1.00 0.00 SOLV O ATOM 21580 H1 TIP3 6517 59.525 21.935 55.159 1.00 0.00 SOLV H ATOM 21581 H2 TIP3 6517 59.698 22.419 56.573 1.00 0.00 SOLV H ATOM 21582 OH2 TIP3 6518 64.462 19.035 54.616 1.00 0.00 SOLV O ATOM 21583 H1 TIP3 6518 65.032 18.243 54.550 1.00 0.00 SOLV H ATOM 21584 H2 TIP3 6518 64.251 19.197 53.674 1.00 0.00 SOLV H ATOM 21585 OH2 TIP3 6519 64.969 20.624 56.771 1.00 0.00 SOLV O ATOM 21586 H1 TIP3 6519 64.781 20.090 55.965 1.00 0.00 SOLV H ATOM 21587 H2 TIP3 6519 64.291 21.330 56.707 1.00 0.00 SOLV H ATOM 21588 OH2 TIP3 6520 64.419 37.614 40.031 1.00 0.00 SOLV O ATOM 21589 H1 TIP3 6520 65.342 37.377 39.845 1.00 0.00 SOLV H ATOM 21590 H2 TIP3 6520 64.299 38.398 39.467 1.00 0.00 SOLV H ATOM 21591 OH2 TIP3 6521 58.038 32.297 39.150 1.00 0.00 SOLV O ATOM 21592 H1 TIP3 6521 59.007 32.280 39.320 1.00 0.00 SOLV H ATOM 21593 H2 TIP3 6521 57.941 31.519 38.553 1.00 0.00 SOLV H ATOM 21594 OH2 TIP3 6522 56.866 37.500 44.500 1.00 0.00 SOLV O ATOM 21595 H1 TIP3 6522 56.330 37.119 43.772 1.00 0.00 SOLV H ATOM 21596 H2 TIP3 6522 57.023 36.699 45.046 1.00 0.00 SOLV H ATOM 21597 OH2 TIP3 6523 57.414 35.323 46.150 1.00 0.00 SOLV O ATOM 21598 H1 TIP3 6523 57.003 34.600 46.654 1.00 0.00 SOLV H ATOM 21599 H2 TIP3 6523 57.907 35.764 46.868 1.00 0.00 SOLV H ATOM 21600 OH2 TIP3 6524 57.347 28.736 48.741 1.00 0.00 SOLV O ATOM 21601 H1 TIP3 6524 57.488 28.506 47.797 1.00 0.00 SOLV H ATOM 21602 H2 TIP3 6524 58.229 28.489 49.112 1.00 0.00 SOLV H ATOM 21603 OH2 TIP3 6525 57.221 23.891 54.832 1.00 0.00 SOLV O ATOM 21604 H1 TIP3 6525 58.120 23.644 55.139 1.00 0.00 SOLV H ATOM 21605 H2 TIP3 6525 56.775 23.022 54.895 1.00 0.00 SOLV H ATOM 21606 OH2 TIP3 6526 58.250 22.341 47.709 1.00 0.00 SOLV O ATOM 21607 H1 TIP3 6526 58.699 21.471 47.724 1.00 0.00 SOLV H ATOM 21608 H2 TIP3 6526 58.992 22.933 47.919 1.00 0.00 SOLV H ATOM 21609 OH2 TIP3 6527 56.477 25.203 48.481 1.00 0.00 SOLV O ATOM 21610 H1 TIP3 6527 57.205 25.250 47.831 1.00 0.00 SOLV H ATOM 21611 H2 TIP3 6527 56.814 25.749 49.199 1.00 0.00 SOLV H ATOM 21612 OH2 TIP3 6528 57.085 21.366 42.622 1.00 0.00 SOLV O ATOM 21613 H1 TIP3 6528 56.116 21.398 42.697 1.00 0.00 SOLV H ATOM 21614 H2 TIP3 6528 57.262 22.110 42.009 1.00 0.00 SOLV H ATOM 21615 OH2 TIP3 6529 57.063 20.170 51.023 1.00 0.00 SOLV O ATOM 21616 H1 TIP3 6529 56.334 20.073 51.657 1.00 0.00 SOLV H ATOM 21617 H2 TIP3 6529 56.661 20.780 50.374 1.00 0.00 SOLV H ATOM 21618 OH2 TIP3 6530 59.204 33.566 55.170 1.00 0.00 SOLV O ATOM 21619 H1 TIP3 6530 58.324 33.743 54.781 1.00 0.00 SOLV H ATOM 21620 H2 TIP3 6530 58.967 33.332 56.075 1.00 0.00 SOLV H ATOM 21621 OH2 TIP3 6531 62.272 34.625 51.490 1.00 0.00 SOLV O ATOM 21622 H1 TIP3 6531 62.016 35.527 51.201 1.00 0.00 SOLV H ATOM 21623 H2 TIP3 6531 63.229 34.668 51.271 1.00 0.00 SOLV H ATOM 21624 OH2 TIP3 6532 66.507 35.886 54.434 1.00 0.00 SOLV O ATOM 21625 H1 TIP3 6532 66.539 35.487 55.329 1.00 0.00 SOLV H ATOM 21626 H2 TIP3 6532 67.430 35.793 54.170 1.00 0.00 SOLV H ATOM 21627 OH2 TIP3 6533 59.335 37.553 51.570 1.00 0.00 SOLV O ATOM 21628 H1 TIP3 6533 58.575 38.067 51.215 1.00 0.00 SOLV H ATOM 21629 H2 TIP3 6533 59.313 37.831 52.497 1.00 0.00 SOLV H ATOM 21630 OH2 TIP3 6534 61.932 37.239 50.757 1.00 0.00 SOLV O ATOM 21631 H1 TIP3 6534 60.990 37.399 50.999 1.00 0.00 SOLV H ATOM 21632 H2 TIP3 6534 62.000 37.733 49.916 1.00 0.00 SOLV H ATOM 21633 OH2 TIP3 6535 66.435 36.925 49.713 1.00 0.00 SOLV O ATOM 21634 H1 TIP3 6535 65.975 37.485 49.075 1.00 0.00 SOLV H ATOM 21635 H2 TIP3 6535 66.735 37.543 50.393 1.00 0.00 SOLV H ATOM 21636 OH2 TIP3 6536 58.919 36.269 48.354 1.00 0.00 SOLV O ATOM 21637 H1 TIP3 6536 58.858 35.763 49.193 1.00 0.00 SOLV H ATOM 21638 H2 TIP3 6536 59.709 35.826 47.970 1.00 0.00 SOLV H ATOM 21639 OH2 TIP3 6537 61.017 34.946 47.283 1.00 0.00 SOLV O ATOM 21640 H1 TIP3 6537 60.883 34.012 47.578 1.00 0.00 SOLV H ATOM 21641 H2 TIP3 6537 61.937 35.100 47.589 1.00 0.00 SOLV H ATOM 21642 OH2 TIP3 6538 63.649 35.267 48.223 1.00 0.00 SOLV O ATOM 21643 H1 TIP3 6538 63.764 34.321 47.993 1.00 0.00 SOLV H ATOM 21644 H2 TIP3 6538 64.011 35.242 49.133 1.00 0.00 SOLV H ATOM 21645 OH2 TIP3 6539 66.614 20.850 46.754 1.00 0.00 SOLV O ATOM 21646 H1 TIP3 6539 65.944 20.282 47.188 1.00 0.00 SOLV H ATOM 21647 H2 TIP3 6539 67.392 20.279 46.807 1.00 0.00 SOLV H ATOM 21648 OH2 TIP3 6540 59.421 19.680 44.756 1.00 0.00 SOLV O ATOM 21649 H1 TIP3 6540 58.481 19.522 44.516 1.00 0.00 SOLV H ATOM 21650 H2 TIP3 6540 59.782 18.777 44.623 1.00 0.00 SOLV H ATOM 21651 OH2 TIP3 6541 58.262 19.583 40.754 1.00 0.00 SOLV O ATOM 21652 H1 TIP3 6541 58.790 20.216 40.238 1.00 0.00 SOLV H ATOM 21653 H2 TIP3 6541 57.905 20.149 41.470 1.00 0.00 SOLV H ATOM 21654 OH2 TIP3 6542 64.026 19.368 44.848 1.00 0.00 SOLV O ATOM 21655 H1 TIP3 6542 64.810 19.768 44.436 1.00 0.00 SOLV H ATOM 21656 H2 TIP3 6542 64.213 19.487 45.792 1.00 0.00 SOLV H ATOM 21657 OH2 TIP3 6543 58.181 35.585 41.493 1.00 0.00 SOLV O ATOM 21658 H1 TIP3 6543 57.537 35.422 40.799 1.00 0.00 SOLV H ATOM 21659 H2 TIP3 6543 58.331 36.557 41.391 1.00 0.00 SOLV H ATOM 21660 OH2 TIP3 6544 60.242 21.308 39.066 1.00 0.00 SOLV O ATOM 21661 H1 TIP3 6544 60.751 20.710 38.486 1.00 0.00 SOLV H ATOM 21662 H2 TIP3 6544 60.934 21.602 39.695 1.00 0.00 SOLV H ATOM 21663 OH2 TIP3 6545 64.990 21.864 41.549 1.00 0.00 SOLV O ATOM 21664 H1 TIP3 6545 65.292 21.165 42.156 1.00 0.00 SOLV H ATOM 21665 H2 TIP3 6545 65.160 22.655 42.106 1.00 0.00 SOLV H ATOM 21666 OH2 TIP3 6546 67.106 36.671 39.857 1.00 0.00 SOLV O ATOM 21667 H1 TIP3 6546 67.857 37.209 39.576 1.00 0.00 SOLV H ATOM 21668 H2 TIP3 6546 67.067 35.990 39.148 1.00 0.00 SOLV H ATOM 21669 OH2 TIP3 6547 59.361 20.295 54.350 1.00 0.00 SOLV O ATOM 21670 H1 TIP3 6547 58.769 19.566 54.624 1.00 0.00 SOLV H ATOM 21671 H2 TIP3 6547 60.174 20.050 54.842 1.00 0.00 SOLV H ATOM 21672 OH2 TIP3 6548 61.432 19.556 56.052 1.00 0.00 SOLV O ATOM 21673 H1 TIP3 6548 62.302 19.179 55.842 1.00 0.00 SOLV H ATOM 21674 H2 TIP3 6548 60.999 18.797 56.498 1.00 0.00 SOLV H ATOM 21675 OH2 TIP3 6549 60.331 36.664 38.706 1.00 0.00 SOLV O ATOM 21676 H1 TIP3 6549 60.102 36.370 39.594 1.00 0.00 SOLV H ATOM 21677 H2 TIP3 6549 61.069 36.054 38.479 1.00 0.00 SOLV H ATOM 21678 OH2 TIP3 6550 12.055 47.831 44.661 1.00 0.00 SOLV O ATOM 21679 H1 TIP3 6550 11.899 48.796 44.578 1.00 0.00 SOLV H ATOM 21680 H2 TIP3 6550 11.363 47.503 44.059 1.00 0.00 SOLV H ATOM 21681 OH2 TIP3 6551 10.968 47.073 48.458 1.00 0.00 SOLV O ATOM 21682 H1 TIP3 6551 11.096 46.634 49.322 1.00 0.00 SOLV H ATOM 21683 H2 TIP3 6551 10.522 46.376 47.951 1.00 0.00 SOLV H ATOM 21684 OH2 TIP3 6552 3.187 46.850 50.028 1.00 0.00 SOLV O ATOM 21685 H1 TIP3 6552 3.042 45.933 50.318 1.00 0.00 SOLV H ATOM 21686 H2 TIP3 6552 4.144 46.851 49.853 1.00 0.00 SOLV H ATOM 21687 OH2 TIP3 6553 14.634 50.134 46.717 1.00 0.00 SOLV O ATOM 21688 H1 TIP3 6553 14.172 49.421 47.180 1.00 0.00 SOLV H ATOM 21689 H2 TIP3 6553 14.901 50.718 47.448 1.00 0.00 SOLV H ATOM 21690 OH2 TIP3 6554 4.166 51.287 48.109 1.00 0.00 SOLV O ATOM 21691 H1 TIP3 6554 4.036 50.344 47.853 1.00 0.00 SOLV H ATOM 21692 H2 TIP3 6554 5.093 51.236 48.402 1.00 0.00 SOLV H ATOM 21693 OH2 TIP3 6555 1.215 44.794 43.613 1.00 0.00 SOLV O ATOM 21694 H1 TIP3 6555 1.261 45.662 44.030 1.00 0.00 SOLV H ATOM 21695 H2 TIP3 6555 0.254 44.630 43.660 1.00 0.00 SOLV H ATOM 21696 OH2 TIP3 6556 1.983 46.977 46.337 1.00 0.00 SOLV O ATOM 21697 H1 TIP3 6556 2.268 46.045 46.447 1.00 0.00 SOLV H ATOM 21698 H2 TIP3 6556 2.531 47.293 45.613 1.00 0.00 SOLV H ATOM 21699 OH2 TIP3 6557 11.891 55.157 47.107 1.00 0.00 SOLV O ATOM 21700 H1 TIP3 6557 12.281 54.530 46.463 1.00 0.00 SOLV H ATOM 21701 H2 TIP3 6557 11.498 54.553 47.748 1.00 0.00 SOLV H ATOM 21702 OH2 TIP3 6558 9.212 49.563 48.832 1.00 0.00 SOLV O ATOM 21703 H1 TIP3 6558 9.653 48.820 48.384 1.00 0.00 SOLV H ATOM 21704 H2 TIP3 6558 9.959 49.844 49.404 1.00 0.00 SOLV H ATOM 21705 OH2 TIP3 6559 18.011 41.020 49.675 1.00 0.00 SOLV O ATOM 21706 H1 TIP3 6559 18.293 41.687 50.334 1.00 0.00 SOLV H ATOM 21707 H2 TIP3 6559 18.444 41.353 48.872 1.00 0.00 SOLV H ATOM 21708 OH2 TIP3 6560 12.414 43.831 48.857 1.00 0.00 SOLV O ATOM 21709 H1 TIP3 6560 12.658 42.892 48.962 1.00 0.00 SOLV H ATOM 21710 H2 TIP3 6560 12.302 43.887 47.888 1.00 0.00 SOLV H ATOM 21711 OH2 TIP3 6561 5.846 41.912 46.191 1.00 0.00 SOLV O ATOM 21712 H1 TIP3 6561 5.949 42.769 45.728 1.00 0.00 SOLV H ATOM 21713 H2 TIP3 6561 5.388 41.392 45.496 1.00 0.00 SOLV H ATOM 21714 OH2 TIP3 6562 13.586 42.239 44.467 1.00 0.00 SOLV O ATOM 21715 H1 TIP3 6562 14.055 41.877 45.256 1.00 0.00 SOLV H ATOM 21716 H2 TIP3 6562 14.345 42.600 43.971 1.00 0.00 SOLV H ATOM 21717 OH2 TIP3 6563 2.554 44.356 46.702 1.00 0.00 SOLV O ATOM 21718 H1 TIP3 6563 3.032 43.820 47.359 1.00 0.00 SOLV H ATOM 21719 H2 TIP3 6563 2.834 43.916 45.871 1.00 0.00 SOLV H ATOM 21720 OH2 TIP3 6564 7.163 45.823 46.558 1.00 0.00 SOLV O ATOM 21721 H1 TIP3 6564 8.032 45.433 46.796 1.00 0.00 SOLV H ATOM 21722 H2 TIP3 6564 6.831 45.167 45.905 1.00 0.00 SOLV H ATOM 21723 OH2 TIP3 6565 18.542 42.595 51.925 1.00 0.00 SOLV O ATOM 21724 H1 TIP3 6565 17.821 43.211 51.677 1.00 0.00 SOLV H ATOM 21725 H2 TIP3 6565 18.662 42.814 52.867 1.00 0.00 SOLV H ATOM 21726 OH2 TIP3 6566 4.538 40.888 50.331 1.00 0.00 SOLV O ATOM 21727 H1 TIP3 6566 4.205 41.465 49.616 1.00 0.00 SOLV H ATOM 21728 H2 TIP3 6566 3.852 41.033 51.016 1.00 0.00 SOLV H ATOM 21729 OH2 TIP3 6567 11.477 50.358 43.684 1.00 0.00 SOLV O ATOM 21730 H1 TIP3 6567 11.476 50.592 42.743 1.00 0.00 SOLV H ATOM 21731 H2 TIP3 6567 11.105 51.177 44.075 1.00 0.00 SOLV H ATOM 21732 OH2 TIP3 6568 7.154 48.609 50.312 1.00 0.00 SOLV O ATOM 21733 H1 TIP3 6568 6.648 49.374 50.665 1.00 0.00 SOLV H ATOM 21734 H2 TIP3 6568 7.867 49.065 49.810 1.00 0.00 SOLV H ATOM 21735 OH2 TIP3 6569 14.875 41.645 46.778 1.00 0.00 SOLV O ATOM 21736 H1 TIP3 6569 14.398 41.135 47.447 1.00 0.00 SOLV H ATOM 21737 H2 TIP3 6569 15.411 42.248 47.335 1.00 0.00 SOLV H ATOM 21738 OH2 TIP3 6570 4.086 42.596 48.208 1.00 0.00 SOLV O ATOM 21739 H1 TIP3 6570 4.683 43.152 48.759 1.00 0.00 SOLV H ATOM 21740 H2 TIP3 6570 4.730 42.273 47.536 1.00 0.00 SOLV H ATOM 21741 OH2 TIP3 6571 5.641 50.724 51.361 1.00 0.00 SOLV O ATOM 21742 H1 TIP3 6571 5.639 51.694 51.213 1.00 0.00 SOLV H ATOM 21743 H2 TIP3 6571 4.716 50.625 51.671 1.00 0.00 SOLV H ATOM 21744 OH2 TIP3 6572 1.364 50.315 42.026 1.00 0.00 SOLV O ATOM 21745 H1 TIP3 6572 1.257 50.720 41.141 1.00 0.00 SOLV H ATOM 21746 H2 TIP3 6572 1.758 51.056 42.539 1.00 0.00 SOLV H ATOM 21747 OH2 TIP3 6573 15.107 52.076 48.878 1.00 0.00 SOLV O ATOM 21748 H1 TIP3 6573 14.132 52.094 49.017 1.00 0.00 SOLV H ATOM 21749 H2 TIP3 6573 15.280 53.012 48.649 1.00 0.00 SOLV H ATOM 21750 OH2 TIP3 6574 15.450 40.068 50.440 1.00 0.00 SOLV O ATOM 21751 H1 TIP3 6574 14.755 40.563 49.976 1.00 0.00 SOLV H ATOM 21752 H2 TIP3 6574 16.267 40.425 50.032 1.00 0.00 SOLV H ATOM 21753 OH2 TIP3 6575 8.148 38.000 47.775 1.00 0.00 SOLV O ATOM 21754 H1 TIP3 6575 7.792 37.090 47.722 1.00 0.00 SOLV H ATOM 21755 H2 TIP3 6575 7.360 38.472 48.124 1.00 0.00 SOLV H ATOM 21756 OH2 TIP3 6576 13.162 53.688 45.094 1.00 0.00 SOLV O ATOM 21757 H1 TIP3 6576 13.585 52.823 44.872 1.00 0.00 SOLV H ATOM 21758 H2 TIP3 6576 13.960 54.265 45.072 1.00 0.00 SOLV H ATOM 21759 OH2 TIP3 6577 14.449 51.441 44.283 1.00 0.00 SOLV O ATOM 21760 H1 TIP3 6577 14.270 50.757 43.625 1.00 0.00 SOLV H ATOM 21761 H2 TIP3 6577 14.582 50.907 45.098 1.00 0.00 SOLV H ATOM 21762 OH2 TIP3 6578 16.190 50.027 52.467 1.00 0.00 SOLV O ATOM 21763 H1 TIP3 6578 16.123 49.444 51.680 1.00 0.00 SOLV H ATOM 21764 H2 TIP3 6578 16.269 50.912 52.048 1.00 0.00 SOLV H ATOM 21765 OH2 TIP3 6579 10.636 47.009 42.435 1.00 0.00 SOLV O ATOM 21766 H1 TIP3 6579 10.021 47.733 42.195 1.00 0.00 SOLV H ATOM 21767 H2 TIP3 6579 11.307 47.078 41.731 1.00 0.00 SOLV H ATOM 21768 OH2 TIP3 6580 10.759 45.683 39.043 1.00 0.00 SOLV O ATOM 21769 H1 TIP3 6580 11.337 45.946 39.783 1.00 0.00 SOLV H ATOM 21770 H2 TIP3 6580 11.334 45.032 38.589 1.00 0.00 SOLV H ATOM 21771 OH2 TIP3 6581 17.965 46.524 50.676 1.00 0.00 SOLV O ATOM 21772 H1 TIP3 6581 17.228 47.169 50.597 1.00 0.00 SOLV H ATOM 21773 H2 TIP3 6581 18.559 46.865 49.969 1.00 0.00 SOLV H ATOM 21774 OH2 TIP3 6582 14.195 47.226 43.086 1.00 0.00 SOLV O ATOM 21775 H1 TIP3 6582 13.499 47.417 43.758 1.00 0.00 SOLV H ATOM 21776 H2 TIP3 6582 14.851 46.755 43.643 1.00 0.00 SOLV H ATOM 21777 OH2 TIP3 6583 13.908 45.301 52.481 1.00 0.00 SOLV O ATOM 21778 H1 TIP3 6583 13.865 46.016 53.145 1.00 0.00 SOLV H ATOM 21779 H2 TIP3 6583 13.234 45.607 51.842 1.00 0.00 SOLV H ATOM 21780 OH2 TIP3 6584 5.703 47.803 45.242 1.00 0.00 SOLV O ATOM 21781 H1 TIP3 6584 5.457 47.434 44.367 1.00 0.00 SOLV H ATOM 21782 H2 TIP3 6584 6.266 47.094 45.619 1.00 0.00 SOLV H ATOM 21783 OH2 TIP3 6585 7.118 51.351 47.892 1.00 0.00 SOLV O ATOM 21784 H1 TIP3 6585 7.148 51.266 46.925 1.00 0.00 SOLV H ATOM 21785 H2 TIP3 6585 7.835 50.748 48.177 1.00 0.00 SOLV H ATOM 21786 OH2 TIP3 6586 5.857 46.624 48.906 1.00 0.00 SOLV O ATOM 21787 H1 TIP3 6586 6.381 46.442 48.094 1.00 0.00 SOLV H ATOM 21788 H2 TIP3 6586 6.385 47.339 49.328 1.00 0.00 SOLV H ATOM 21789 OH2 TIP3 6587 12.479 52.204 49.499 1.00 0.00 SOLV O ATOM 21790 H1 TIP3 6587 12.320 52.900 50.163 1.00 0.00 SOLV H ATOM 21791 H2 TIP3 6587 12.035 51.424 49.886 1.00 0.00 SOLV H ATOM 21792 OH2 TIP3 6588 7.212 51.067 53.576 1.00 0.00 SOLV O ATOM 21793 H1 TIP3 6588 6.562 51.694 53.964 1.00 0.00 SOLV H ATOM 21794 H2 TIP3 6588 6.724 50.797 52.769 1.00 0.00 SOLV H ATOM 21795 OH2 TIP3 6589 12.856 46.508 40.793 1.00 0.00 SOLV O ATOM 21796 H1 TIP3 6589 13.391 46.880 41.530 1.00 0.00 SOLV H ATOM 21797 H2 TIP3 6589 13.400 46.793 40.017 1.00 0.00 SOLV H ATOM 21798 OH2 TIP3 6590 3.980 47.018 53.033 1.00 0.00 SOLV O ATOM 21799 H1 TIP3 6590 3.956 47.769 53.664 1.00 0.00 SOLV H ATOM 21800 H2 TIP3 6590 3.375 47.334 52.344 1.00 0.00 SOLV H ATOM 21801 OH2 TIP3 6591 10.691 52.913 44.344 1.00 0.00 SOLV O ATOM 21802 H1 TIP3 6591 11.579 53.197 44.648 1.00 0.00 SOLV H ATOM 21803 H2 TIP3 6591 10.353 53.724 43.944 1.00 0.00 SOLV H ATOM 21804 OH2 TIP3 6592 5.212 52.868 54.270 1.00 0.00 SOLV O ATOM 21805 H1 TIP3 6592 5.135 53.258 53.379 1.00 0.00 SOLV H ATOM 21806 H2 TIP3 6592 4.275 52.691 54.498 1.00 0.00 SOLV H ATOM 21807 OH2 TIP3 6593 16.579 38.033 40.691 1.00 0.00 SOLV O ATOM 21808 H1 TIP3 6593 15.693 38.222 41.082 1.00 0.00 SOLV H ATOM 21809 H2 TIP3 6593 16.874 38.936 40.486 1.00 0.00 SOLV H ATOM 21810 OH2 TIP3 6594 4.807 46.951 42.701 1.00 0.00 SOLV O ATOM 21811 H1 TIP3 6594 4.317 47.597 42.149 1.00 0.00 SOLV H ATOM 21812 H2 TIP3 6594 4.343 46.128 42.513 1.00 0.00 SOLV H ATOM 21813 OH2 TIP3 6595 17.874 52.445 39.222 1.00 0.00 SOLV O ATOM 21814 H1 TIP3 6595 18.120 53.393 39.294 1.00 0.00 SOLV H ATOM 21815 H2 TIP3 6595 18.759 52.021 39.242 1.00 0.00 SOLV H ATOM 21816 OH2 TIP3 6596 1.297 48.975 52.127 1.00 0.00 SOLV O ATOM 21817 H1 TIP3 6596 0.446 49.235 51.752 1.00 0.00 SOLV H ATOM 21818 H2 TIP3 6596 1.127 48.040 52.373 1.00 0.00 SOLV H ATOM 21819 OH2 TIP3 6597 1.365 52.406 48.179 1.00 0.00 SOLV O ATOM 21820 H1 TIP3 6597 1.981 51.661 48.093 1.00 0.00 SOLV H ATOM 21821 H2 TIP3 6597 1.784 52.903 48.918 1.00 0.00 SOLV H ATOM 21822 OH2 TIP3 6598 18.777 52.890 54.403 1.00 0.00 SOLV O ATOM 21823 H1 TIP3 6598 18.600 51.935 54.307 1.00 0.00 SOLV H ATOM 21824 H2 TIP3 6598 17.885 53.208 54.665 1.00 0.00 SOLV H ATOM 21825 OH2 TIP3 6599 9.613 52.189 52.967 1.00 0.00 SOLV O ATOM 21826 H1 TIP3 6599 9.594 53.041 53.457 1.00 0.00 SOLV H ATOM 21827 H2 TIP3 6599 8.732 51.825 53.210 1.00 0.00 SOLV H ATOM 21828 OH2 TIP3 6600 10.423 55.839 42.866 1.00 0.00 SOLV O ATOM 21829 H1 TIP3 6600 10.198 55.948 41.925 1.00 0.00 SOLV H ATOM 21830 H2 TIP3 6600 10.154 56.700 43.242 1.00 0.00 SOLV H ATOM 21831 OH2 TIP3 6601 3.837 54.816 44.829 1.00 0.00 SOLV O ATOM 21832 H1 TIP3 6601 4.087 54.484 45.723 1.00 0.00 SOLV H ATOM 21833 H2 TIP3 6601 3.197 54.139 44.557 1.00 0.00 SOLV H ATOM 21834 OH2 TIP3 6602 13.148 55.317 39.626 1.00 0.00 SOLV O ATOM 21835 H1 TIP3 6602 13.695 54.588 39.260 1.00 0.00 SOLV H ATOM 21836 H2 TIP3 6602 13.287 55.200 40.590 1.00 0.00 SOLV H ATOM 21837 OH2 TIP3 6603 13.030 55.201 42.408 1.00 0.00 SOLV O ATOM 21838 H1 TIP3 6603 12.085 55.338 42.636 1.00 0.00 SOLV H ATOM 21839 H2 TIP3 6603 13.323 54.653 43.155 1.00 0.00 SOLV H ATOM 21840 OH2 TIP3 6604 15.769 44.118 54.623 1.00 0.00 SOLV O ATOM 21841 H1 TIP3 6604 15.103 44.439 53.996 1.00 0.00 SOLV H ATOM 21842 H2 TIP3 6604 15.831 43.173 54.372 1.00 0.00 SOLV H ATOM 21843 OH2 TIP3 6605 3.108 51.023 52.414 1.00 0.00 SOLV O ATOM 21844 H1 TIP3 6605 3.170 51.003 53.382 1.00 0.00 SOLV H ATOM 21845 H2 TIP3 6605 2.459 50.301 52.257 1.00 0.00 SOLV H ATOM 21846 OH2 TIP3 6606 5.689 39.015 48.647 1.00 0.00 SOLV O ATOM 21847 H1 TIP3 6606 4.896 38.980 48.072 1.00 0.00 SOLV H ATOM 21848 H2 TIP3 6606 5.394 39.701 49.281 1.00 0.00 SOLV H ATOM 21849 OH2 TIP3 6607 10.469 38.698 52.005 1.00 0.00 SOLV O ATOM 21850 H1 TIP3 6607 10.923 38.201 52.717 1.00 0.00 SOLV H ATOM 21851 H2 TIP3 6607 9.524 38.599 52.240 1.00 0.00 SOLV H ATOM 21852 OH2 TIP3 6608 13.444 42.575 52.760 1.00 0.00 SOLV O ATOM 21853 H1 TIP3 6608 12.739 42.509 53.445 1.00 0.00 SOLV H ATOM 21854 H2 TIP3 6608 13.476 43.537 52.584 1.00 0.00 SOLV H ATOM 21855 OH2 TIP3 6609 14.393 47.094 38.663 1.00 0.00 SOLV O ATOM 21856 H1 TIP3 6609 14.231 47.266 37.714 1.00 0.00 SOLV H ATOM 21857 H2 TIP3 6609 15.325 47.386 38.741 1.00 0.00 SOLV H ATOM 21858 OH2 TIP3 6610 9.942 41.157 39.389 1.00 0.00 SOLV O ATOM 21859 H1 TIP3 6610 9.336 41.023 40.145 1.00 0.00 SOLV H ATOM 21860 H2 TIP3 6610 9.542 40.536 38.748 1.00 0.00 SOLV H ATOM 21861 OH2 TIP3 6611 5.746 44.074 49.854 1.00 0.00 SOLV O ATOM 21862 H1 TIP3 6611 5.073 44.189 50.559 1.00 0.00 SOLV H ATOM 21863 H2 TIP3 6611 5.833 44.999 49.535 1.00 0.00 SOLV H ATOM 21864 OH2 TIP3 6612 5.938 44.200 44.716 1.00 0.00 SOLV O ATOM 21865 H1 TIP3 6612 4.974 44.035 44.617 1.00 0.00 SOLV H ATOM 21866 H2 TIP3 6612 6.222 43.968 43.805 1.00 0.00 SOLV H ATOM 21867 OH2 TIP3 6613 11.279 44.539 43.545 1.00 0.00 SOLV O ATOM 21868 H1 TIP3 6613 11.060 45.416 43.162 1.00 0.00 SOLV H ATOM 21869 H2 TIP3 6613 11.974 44.223 42.932 1.00 0.00 SOLV H ATOM 21870 OH2 TIP3 6614 10.413 44.748 54.760 1.00 0.00 SOLV O ATOM 21871 H1 TIP3 6614 9.920 43.982 55.128 1.00 0.00 SOLV H ATOM 21872 H2 TIP3 6614 11.258 44.657 55.242 1.00 0.00 SOLV H ATOM 21873 OH2 TIP3 6615 12.166 44.021 46.141 1.00 0.00 SOLV O ATOM 21874 H1 TIP3 6615 11.764 44.530 45.406 1.00 0.00 SOLV H ATOM 21875 H2 TIP3 6615 12.573 43.309 45.603 1.00 0.00 SOLV H ATOM 21876 OH2 TIP3 6616 3.536 44.311 51.453 1.00 0.00 SOLV O ATOM 21877 H1 TIP3 6616 3.748 44.790 52.269 1.00 0.00 SOLV H ATOM 21878 H2 TIP3 6616 3.195 43.461 51.788 1.00 0.00 SOLV H ATOM 21879 OH2 TIP3 6617 6.813 41.698 38.195 1.00 0.00 SOLV O ATOM 21880 H1 TIP3 6617 6.411 41.550 39.073 1.00 0.00 SOLV H ATOM 21881 H2 TIP3 6617 6.223 42.395 37.844 1.00 0.00 SOLV H ATOM 21882 OH2 TIP3 6618 0.537 41.640 45.159 1.00 0.00 SOLV O ATOM 21883 H1 TIP3 6618 0.924 41.487 46.047 1.00 0.00 SOLV H ATOM 21884 H2 TIP3 6618 0.841 40.854 44.685 1.00 0.00 SOLV H ATOM 21885 OH2 TIP3 6619 1.632 41.899 41.189 1.00 0.00 SOLV O ATOM 21886 H1 TIP3 6619 2.168 41.800 40.385 1.00 0.00 SOLV H ATOM 21887 H2 TIP3 6619 1.469 42.855 41.148 1.00 0.00 SOLV H ATOM 21888 OH2 TIP3 6620 11.490 45.554 50.709 1.00 0.00 SOLV O ATOM 21889 H1 TIP3 6620 11.871 44.929 50.048 1.00 0.00 SOLV H ATOM 21890 H2 TIP3 6620 10.893 44.946 51.196 1.00 0.00 SOLV H ATOM 21891 OH2 TIP3 6621 8.645 41.603 45.627 1.00 0.00 SOLV O ATOM 21892 H1 TIP3 6621 7.737 41.671 45.985 1.00 0.00 SOLV H ATOM 21893 H2 TIP3 6621 9.142 41.267 46.397 1.00 0.00 SOLV H ATOM 21894 OH2 TIP3 6622 3.434 43.263 44.356 1.00 0.00 SOLV O ATOM 21895 H1 TIP3 6622 2.615 43.547 43.895 1.00 0.00 SOLV H ATOM 21896 H2 TIP3 6622 3.570 42.348 44.037 1.00 0.00 SOLV H ATOM 21897 OH2 TIP3 6623 6.461 43.361 42.180 1.00 0.00 SOLV O ATOM 21898 H1 TIP3 6623 7.436 43.362 42.234 1.00 0.00 SOLV H ATOM 21899 H2 TIP3 6623 6.284 43.821 41.327 1.00 0.00 SOLV H ATOM 21900 OH2 TIP3 6624 12.764 41.079 48.926 1.00 0.00 SOLV O ATOM 21901 H1 TIP3 6624 12.258 41.104 49.771 1.00 0.00 SOLV H ATOM 21902 H2 TIP3 6624 12.083 40.731 48.326 1.00 0.00 SOLV H ATOM 21903 OH2 TIP3 6625 5.844 44.448 39.770 1.00 0.00 SOLV O ATOM 21904 H1 TIP3 6625 5.345 44.195 38.971 1.00 0.00 SOLV H ATOM 21905 H2 TIP3 6625 6.619 44.890 39.360 1.00 0.00 SOLV H ATOM 21906 OH2 TIP3 6626 16.145 56.581 55.394 1.00 0.00 SOLV O ATOM 21907 H1 TIP3 6626 16.376 57.017 54.553 1.00 0.00 SOLV H ATOM 21908 H2 TIP3 6626 16.910 56.825 55.951 1.00 0.00 SOLV H ATOM 21909 OH2 TIP3 6627 3.823 49.181 54.885 1.00 0.00 SOLV O ATOM 21910 H1 TIP3 6627 4.527 49.138 55.561 1.00 0.00 SOLV H ATOM 21911 H2 TIP3 6627 3.140 49.665 55.369 1.00 0.00 SOLV H ATOM 21912 OH2 TIP3 6628 9.465 44.580 47.542 1.00 0.00 SOLV O ATOM 21913 H1 TIP3 6628 10.252 44.149 47.175 1.00 0.00 SOLV H ATOM 21914 H2 TIP3 6628 9.185 43.953 48.236 1.00 0.00 SOLV H ATOM 21915 OH2 TIP3 6629 4.513 40.657 44.086 1.00 0.00 SOLV O ATOM 21916 H1 TIP3 6629 3.951 39.910 44.391 1.00 0.00 SOLV H ATOM 21917 H2 TIP3 6629 5.028 40.229 43.390 1.00 0.00 SOLV H ATOM 21918 OH2 TIP3 6630 8.343 43.131 49.936 1.00 0.00 SOLV O ATOM 21919 H1 TIP3 6630 7.464 43.562 49.973 1.00 0.00 SOLV H ATOM 21920 H2 TIP3 6630 8.810 43.515 50.705 1.00 0.00 SOLV H ATOM 21921 OH2 TIP3 6631 8.780 49.002 41.686 1.00 0.00 SOLV O ATOM 21922 H1 TIP3 6631 8.024 48.580 41.228 1.00 0.00 SOLV H ATOM 21923 H2 TIP3 6631 8.372 49.213 42.562 1.00 0.00 SOLV H ATOM 21924 OH2 TIP3 6632 15.969 48.386 50.243 1.00 0.00 SOLV O ATOM 21925 H1 TIP3 6632 16.499 48.995 49.687 1.00 0.00 SOLV H ATOM 21926 H2 TIP3 6632 15.193 48.203 49.668 1.00 0.00 SOLV H ATOM 21927 OH2 TIP3 6633 12.531 41.672 39.998 1.00 0.00 SOLV O ATOM 21928 H1 TIP3 6633 11.567 41.647 39.790 1.00 0.00 SOLV H ATOM 21929 H2 TIP3 6633 12.646 42.538 40.435 1.00 0.00 SOLV H ATOM 21930 OH2 TIP3 6634 10.239 49.394 52.843 1.00 0.00 SOLV O ATOM 21931 H1 TIP3 6634 10.447 49.105 53.740 1.00 0.00 SOLV H ATOM 21932 H2 TIP3 6634 10.030 50.337 52.965 1.00 0.00 SOLV H ATOM 21933 OH2 TIP3 6635 13.255 43.854 41.668 1.00 0.00 SOLV O ATOM 21934 H1 TIP3 6635 14.152 43.721 42.032 1.00 0.00 SOLV H ATOM 21935 H2 TIP3 6635 13.298 44.771 41.334 1.00 0.00 SOLV H ATOM 21936 OH2 TIP3 6636 4.279 48.700 47.408 1.00 0.00 SOLV O ATOM 21937 H1 TIP3 6636 4.793 48.469 46.606 1.00 0.00 SOLV H ATOM 21938 H2 TIP3 6636 4.316 47.874 47.907 1.00 0.00 SOLV H ATOM 21939 OH2 TIP3 6637 10.879 50.512 40.795 1.00 0.00 SOLV O ATOM 21940 H1 TIP3 6637 10.505 51.422 40.883 1.00 0.00 SOLV H ATOM 21941 H2 TIP3 6637 10.128 49.969 41.118 1.00 0.00 SOLV H ATOM 21942 OH2 TIP3 6638 0.724 46.455 52.981 1.00 0.00 SOLV O ATOM 21943 H1 TIP3 6638 1.157 46.470 53.862 1.00 0.00 SOLV H ATOM 21944 H2 TIP3 6638 0.176 45.666 53.059 1.00 0.00 SOLV H ATOM 21945 OH2 TIP3 6639 8.269 46.533 54.933 1.00 0.00 SOLV O ATOM 21946 H1 TIP3 6639 7.729 46.210 54.196 1.00 0.00 SOLV H ATOM 21947 H2 TIP3 6639 9.108 46.049 54.775 1.00 0.00 SOLV H ATOM 21948 OH2 TIP3 6640 12.410 51.779 52.894 1.00 0.00 SOLV O ATOM 21949 H1 TIP3 6640 11.459 51.956 52.778 1.00 0.00 SOLV H ATOM 21950 H2 TIP3 6640 12.544 52.112 53.807 1.00 0.00 SOLV H ATOM 21951 OH2 TIP3 6641 17.933 44.296 41.438 1.00 0.00 SOLV O ATOM 21952 H1 TIP3 6641 17.667 44.059 40.524 1.00 0.00 SOLV H ATOM 21953 H2 TIP3 6641 18.157 45.237 41.282 1.00 0.00 SOLV H ATOM 21954 OH2 TIP3 6642 18.418 50.023 54.047 1.00 0.00 SOLV O ATOM 21955 H1 TIP3 6642 17.504 50.137 53.704 1.00 0.00 SOLV H ATOM 21956 H2 TIP3 6642 18.887 49.841 53.200 1.00 0.00 SOLV H ATOM 21957 OH2 TIP3 6643 16.592 52.840 41.709 1.00 0.00 SOLV O ATOM 21958 H1 TIP3 6643 16.078 52.084 42.021 1.00 0.00 SOLV H ATOM 21959 H2 TIP3 6643 16.922 52.541 40.842 1.00 0.00 SOLV H ATOM 21960 OH2 TIP3 6644 13.806 47.714 48.549 1.00 0.00 SOLV O ATOM 21961 H1 TIP3 6644 12.840 47.632 48.431 1.00 0.00 SOLV H ATOM 21962 H2 TIP3 6644 14.115 46.936 48.043 1.00 0.00 SOLV H ATOM 21963 OH2 TIP3 6645 6.523 52.022 44.902 1.00 0.00 SOLV O ATOM 21964 H1 TIP3 6645 6.748 52.905 44.550 1.00 0.00 SOLV H ATOM 21965 H2 TIP3 6645 5.572 51.994 44.757 1.00 0.00 SOLV H ATOM 21966 OH2 TIP3 6646 2.180 46.747 39.421 1.00 0.00 SOLV O ATOM 21967 H1 TIP3 6646 2.849 47.253 39.931 1.00 0.00 SOLV H ATOM 21968 H2 TIP3 6646 1.396 47.273 39.622 1.00 0.00 SOLV H ATOM 21969 OH2 TIP3 6647 7.448 49.580 43.954 1.00 0.00 SOLV O ATOM 21970 H1 TIP3 6647 7.273 50.465 44.330 1.00 0.00 SOLV H ATOM 21971 H2 TIP3 6647 6.883 49.015 44.513 1.00 0.00 SOLV H ATOM 21972 OH2 TIP3 6648 8.314 53.849 50.684 1.00 0.00 SOLV O ATOM 21973 H1 TIP3 6648 8.945 54.576 50.489 1.00 0.00 SOLV H ATOM 21974 H2 TIP3 6648 8.867 53.254 51.212 1.00 0.00 SOLV H ATOM 21975 OH2 TIP3 6649 6.425 54.784 43.823 1.00 0.00 SOLV O ATOM 21976 H1 TIP3 6649 5.498 54.926 44.099 1.00 0.00 SOLV H ATOM 21977 H2 TIP3 6649 6.845 55.605 44.166 1.00 0.00 SOLV H ATOM 21978 OH2 TIP3 6650 11.446 49.738 50.412 1.00 0.00 SOLV O ATOM 21979 H1 TIP3 6650 11.064 49.536 51.296 1.00 0.00 SOLV H ATOM 21980 H2 TIP3 6650 12.170 49.099 50.368 1.00 0.00 SOLV H ATOM 21981 OH2 TIP3 6651 14.258 50.897 39.624 1.00 0.00 SOLV O ATOM 21982 H1 TIP3 6651 14.524 50.401 40.433 1.00 0.00 SOLV H ATOM 21983 H2 TIP3 6651 13.307 50.714 39.601 1.00 0.00 SOLV H ATOM 21984 OH2 TIP3 6652 14.468 54.209 52.658 1.00 0.00 SOLV O ATOM 21985 H1 TIP3 6652 13.623 53.882 52.290 1.00 0.00 SOLV H ATOM 21986 H2 TIP3 6652 14.612 55.001 52.094 1.00 0.00 SOLV H ATOM 21987 OH2 TIP3 6653 18.542 55.098 39.724 1.00 0.00 SOLV O ATOM 21988 H1 TIP3 6653 19.138 55.839 39.522 1.00 0.00 SOLV H ATOM 21989 H2 TIP3 6653 17.741 55.602 39.980 1.00 0.00 SOLV H ATOM 21990 OH2 TIP3 6654 2.585 41.548 52.201 1.00 0.00 SOLV O ATOM 21991 H1 TIP3 6654 1.635 41.561 52.012 1.00 0.00 SOLV H ATOM 21992 H2 TIP3 6654 2.643 40.835 52.862 1.00 0.00 SOLV H ATOM 21993 OH2 TIP3 6655 15.115 49.510 41.836 1.00 0.00 SOLV O ATOM 21994 H1 TIP3 6655 14.738 48.729 42.289 1.00 0.00 SOLV H ATOM 21995 H2 TIP3 6655 16.072 49.300 41.905 1.00 0.00 SOLV H ATOM 21996 OH2 TIP3 6656 2.093 53.378 50.673 1.00 0.00 SOLV O ATOM 21997 H1 TIP3 6656 2.529 52.643 51.146 1.00 0.00 SOLV H ATOM 21998 H2 TIP3 6656 1.956 54.005 51.410 1.00 0.00 SOLV H ATOM 21999 OH2 TIP3 6657 8.070 51.891 38.015 1.00 0.00 SOLV O ATOM 22000 H1 TIP3 6657 8.126 51.007 37.605 1.00 0.00 SOLV H ATOM 22001 H2 TIP3 6657 7.601 51.689 38.848 1.00 0.00 SOLV H ATOM 22002 OH2 TIP3 6658 6.822 51.531 40.471 1.00 0.00 SOLV O ATOM 22003 H1 TIP3 6658 7.426 51.051 41.054 1.00 0.00 SOLV H ATOM 22004 H2 TIP3 6658 6.937 52.456 40.790 1.00 0.00 SOLV H ATOM 22005 OH2 TIP3 6659 3.357 48.649 41.023 1.00 0.00 SOLV O ATOM 22006 H1 TIP3 6659 2.650 49.145 41.490 1.00 0.00 SOLV H ATOM 22007 H2 TIP3 6659 3.800 49.389 40.558 1.00 0.00 SOLV H ATOM 22008 OH2 TIP3 6660 11.441 41.208 51.326 1.00 0.00 SOLV O ATOM 22009 H1 TIP3 6660 12.160 41.396 51.955 1.00 0.00 SOLV H ATOM 22010 H2 TIP3 6660 11.093 40.347 51.641 1.00 0.00 SOLV H ATOM 22011 OH2 TIP3 6661 12.241 40.536 42.653 1.00 0.00 SOLV O ATOM 22012 H1 TIP3 6661 12.369 40.954 41.779 1.00 0.00 SOLV H ATOM 22013 H2 TIP3 6661 12.658 41.195 43.252 1.00 0.00 SOLV H ATOM 22014 OH2 TIP3 6662 9.786 52.966 41.034 1.00 0.00 SOLV O ATOM 22015 H1 TIP3 6662 8.888 53.294 41.233 1.00 0.00 SOLV H ATOM 22016 H2 TIP3 6662 10.212 53.798 40.767 1.00 0.00 SOLV H ATOM 22017 OH2 TIP3 6663 9.079 42.894 43.216 1.00 0.00 SOLV O ATOM 22018 H1 TIP3 6663 9.841 43.496 43.368 1.00 0.00 SOLV H ATOM 22019 H2 TIP3 6663 8.919 42.566 44.127 1.00 0.00 SOLV H ATOM 22020 OH2 TIP3 6664 10.012 43.755 52.134 1.00 0.00 SOLV O ATOM 22021 H1 TIP3 6664 10.151 44.033 53.063 1.00 0.00 SOLV H ATOM 22022 H2 TIP3 6664 10.364 42.847 52.129 1.00 0.00 SOLV H ATOM 22023 OH2 TIP3 6665 9.836 39.615 43.767 1.00 0.00 SOLV O ATOM 22024 H1 TIP3 6665 9.680 40.303 44.442 1.00 0.00 SOLV H ATOM 22025 H2 TIP3 6665 10.699 39.914 43.397 1.00 0.00 SOLV H ATOM 22026 OH2 TIP3 6666 7.294 54.057 41.338 1.00 0.00 SOLV O ATOM 22027 H1 TIP3 6666 7.308 54.919 40.864 1.00 0.00 SOLV H ATOM 22028 H2 TIP3 6666 6.985 54.340 42.228 1.00 0.00 SOLV H ATOM 22029 OH2 TIP3 6667 5.832 41.077 40.719 1.00 0.00 SOLV O ATOM 22030 H1 TIP3 6667 5.811 41.866 41.298 1.00 0.00 SOLV H ATOM 22031 H2 TIP3 6667 6.718 40.731 40.965 1.00 0.00 SOLV H ATOM 22032 OH2 TIP3 6668 15.911 41.646 53.332 1.00 0.00 SOLV O ATOM 22033 H1 TIP3 6668 14.964 41.813 53.127 1.00 0.00 SOLV H ATOM 22034 H2 TIP3 6668 16.236 41.396 52.458 1.00 0.00 SOLV H ATOM 22035 OH2 TIP3 6669 14.582 45.339 47.144 1.00 0.00 SOLV O ATOM 22036 H1 TIP3 6669 13.734 44.907 46.938 1.00 0.00 SOLV H ATOM 22037 H2 TIP3 6669 15.044 44.652 47.668 1.00 0.00 SOLV H ATOM 22038 OH2 TIP3 6670 4.247 50.932 39.637 1.00 0.00 SOLV O ATOM 22039 H1 TIP3 6670 5.049 51.334 40.036 1.00 0.00 SOLV H ATOM 22040 H2 TIP3 6670 4.691 50.383 38.954 1.00 0.00 SOLV H ATOM 22041 OH2 TIP3 6671 1.849 43.945 39.117 1.00 0.00 SOLV O ATOM 22042 H1 TIP3 6671 2.093 44.878 39.242 1.00 0.00 SOLV H ATOM 22043 H2 TIP3 6671 1.624 43.906 38.169 1.00 0.00 SOLV H ATOM 22044 OH2 TIP3 6672 15.788 54.790 48.818 1.00 0.00 SOLV O ATOM 22045 H1 TIP3 6672 15.645 55.475 48.126 1.00 0.00 SOLV H ATOM 22046 H2 TIP3 6672 16.769 54.828 48.901 1.00 0.00 SOLV H ATOM 22047 OH2 TIP3 6673 3.153 38.883 47.537 1.00 0.00 SOLV O ATOM 22048 H1 TIP3 6673 3.086 38.711 46.573 1.00 0.00 SOLV H ATOM 22049 H2 TIP3 6673 2.841 38.027 47.910 1.00 0.00 SOLV H ATOM 22050 OH2 TIP3 6674 1.938 52.597 43.422 1.00 0.00 SOLV O ATOM 22051 H1 TIP3 6674 1.373 52.898 44.149 1.00 0.00 SOLV H ATOM 22052 H2 TIP3 6674 1.827 53.326 42.762 1.00 0.00 SOLV H ATOM 22053 OH2 TIP3 6675 5.917 53.990 56.724 1.00 0.00 SOLV O ATOM 22054 H1 TIP3 6675 6.767 53.547 56.860 1.00 0.00 SOLV H ATOM 22055 H2 TIP3 6675 5.669 53.642 55.844 1.00 0.00 SOLV H ATOM 22056 OH2 TIP3 6676 10.158 53.697 37.941 1.00 0.00 SOLV O ATOM 22057 H1 TIP3 6676 9.463 53.005 38.032 1.00 0.00 SOLV H ATOM 22058 H2 TIP3 6676 10.928 53.160 37.673 1.00 0.00 SOLV H ATOM 22059 OH2 TIP3 6677 12.467 52.554 55.532 1.00 0.00 SOLV O ATOM 22060 H1 TIP3 6677 12.189 51.740 56.014 1.00 0.00 SOLV H ATOM 22061 H2 TIP3 6677 13.205 52.872 56.089 1.00 0.00 SOLV H ATOM 22062 OH2 TIP3 6678 14.560 53.339 38.308 1.00 0.00 SOLV O ATOM 22063 H1 TIP3 6678 14.680 52.524 38.836 1.00 0.00 SOLV H ATOM 22064 H2 TIP3 6678 15.330 53.324 37.707 1.00 0.00 SOLV H ATOM 22065 OH2 TIP3 6679 1.167 49.102 56.108 1.00 0.00 SOLV O ATOM 22066 H1 TIP3 6679 1.490 48.347 55.576 1.00 0.00 SOLV H ATOM 22067 H2 TIP3 6679 0.730 49.660 55.448 1.00 0.00 SOLV H ATOM 22068 OH2 TIP3 6680 5.607 49.110 38.228 1.00 0.00 SOLV O ATOM 22069 H1 TIP3 6680 5.964 48.644 39.016 1.00 0.00 SOLV H ATOM 22070 H2 TIP3 6680 6.436 49.211 37.707 1.00 0.00 SOLV H ATOM 22071 OH2 TIP3 6681 7.882 49.323 55.569 1.00 0.00 SOLV O ATOM 22072 H1 TIP3 6681 7.730 49.810 54.729 1.00 0.00 SOLV H ATOM 22073 H2 TIP3 6681 8.099 48.421 55.257 1.00 0.00 SOLV H ATOM 22074 OH2 TIP3 6682 11.340 50.569 38.091 1.00 0.00 SOLV O ATOM 22075 H1 TIP3 6682 11.079 50.493 39.032 1.00 0.00 SOLV H ATOM 22076 H2 TIP3 6682 11.229 49.640 37.791 1.00 0.00 SOLV H ATOM 22077 OH2 TIP3 6683 13.606 49.278 53.102 1.00 0.00 SOLV O ATOM 22078 H1 TIP3 6683 14.524 49.571 52.941 1.00 0.00 SOLV H ATOM 22079 H2 TIP3 6683 13.122 50.115 52.938 1.00 0.00 SOLV H ATOM 22080 OH2 TIP3 6684 1.914 46.485 55.433 1.00 0.00 SOLV O ATOM 22081 H1 TIP3 6684 2.603 45.852 55.191 1.00 0.00 SOLV H ATOM 22082 H2 TIP3 6684 2.074 46.580 56.395 1.00 0.00 SOLV H ATOM 22083 OH2 TIP3 6685 6.702 47.663 40.378 1.00 0.00 SOLV O ATOM 22084 H1 TIP3 6685 6.241 47.165 41.072 1.00 0.00 SOLV H ATOM 22085 H2 TIP3 6685 7.162 46.953 39.880 1.00 0.00 SOLV H ATOM 22086 OH2 TIP3 6686 6.062 45.247 52.848 1.00 0.00 SOLV O ATOM 22087 H1 TIP3 6686 5.414 45.984 52.881 1.00 0.00 SOLV H ATOM 22088 H2 TIP3 6686 6.808 45.663 52.356 1.00 0.00 SOLV H ATOM 22089 OH2 TIP3 6687 7.993 45.790 38.769 1.00 0.00 SOLV O ATOM 22090 H1 TIP3 6687 8.024 46.104 37.839 1.00 0.00 SOLV H ATOM 22091 H2 TIP3 6687 8.948 45.621 38.925 1.00 0.00 SOLV H ATOM 22092 OH2 TIP3 6688 11.242 47.913 56.259 1.00 0.00 SOLV O ATOM 22093 H1 TIP3 6688 12.007 47.473 55.867 1.00 0.00 SOLV H ATOM 22094 H2 TIP3 6688 10.861 47.203 56.808 1.00 0.00 SOLV H ATOM 22095 OH2 TIP3 6689 16.998 47.885 38.371 1.00 0.00 SOLV O ATOM 22096 H1 TIP3 6689 17.025 47.705 37.409 1.00 0.00 SOLV H ATOM 22097 H2 TIP3 6689 16.872 48.863 38.335 1.00 0.00 SOLV H ATOM 22098 OH2 TIP3 6690 6.701 42.829 53.843 1.00 0.00 SOLV O ATOM 22099 H1 TIP3 6690 6.773 42.202 53.094 1.00 0.00 SOLV H ATOM 22100 H2 TIP3 6690 6.500 43.674 53.376 1.00 0.00 SOLV H ATOM 22101 OH2 TIP3 6691 6.970 41.142 51.582 1.00 0.00 SOLV O ATOM 22102 H1 TIP3 6691 7.518 41.634 50.942 1.00 0.00 SOLV H ATOM 22103 H2 TIP3 6691 6.106 41.102 51.117 1.00 0.00 SOLV H ATOM 22104 OH2 TIP3 6692 8.146 46.465 51.710 1.00 0.00 SOLV O ATOM 22105 H1 TIP3 6692 9.105 46.550 51.643 1.00 0.00 SOLV H ATOM 22106 H2 TIP3 6692 7.838 47.268 51.237 1.00 0.00 SOLV H ATOM 22107 OH2 TIP3 6693 12.657 44.278 56.442 1.00 0.00 SOLV O ATOM 22108 H1 TIP3 6693 12.957 43.359 56.512 1.00 0.00 SOLV H ATOM 22109 H2 TIP3 6693 13.496 44.758 56.381 1.00 0.00 SOLV H ATOM 22110 OH2 TIP3 6694 14.113 47.170 54.711 1.00 0.00 SOLV O ATOM 22111 H1 TIP3 6694 13.807 47.951 54.188 1.00 0.00 SOLV H ATOM 22112 H2 TIP3 6694 15.087 47.284 54.627 1.00 0.00 SOLV H ATOM 22113 OH2 TIP3 6695 5.014 43.485 56.050 1.00 0.00 SOLV O ATOM 22114 H1 TIP3 6695 4.258 42.897 55.843 1.00 0.00 SOLV H ATOM 22115 H2 TIP3 6695 5.530 43.434 55.220 1.00 0.00 SOLV H ATOM 22116 OH2 TIP3 6696 7.647 38.420 52.005 1.00 0.00 SOLV O ATOM 22117 H1 TIP3 6696 7.358 39.343 51.847 1.00 0.00 SOLV H ATOM 22118 H2 TIP3 6696 6.933 37.913 51.562 1.00 0.00 SOLV H ATOM 22119 OH2 TIP3 6697 8.947 42.545 55.446 1.00 0.00 SOLV O ATOM 22120 H1 TIP3 6697 8.480 42.239 56.248 1.00 0.00 SOLV H ATOM 22121 H2 TIP3 6697 8.181 42.604 54.834 1.00 0.00 SOLV H ATOM 22122 OH2 TIP3 6698 11.536 41.946 54.546 1.00 0.00 SOLV O ATOM 22123 H1 TIP3 6698 10.654 41.973 54.968 1.00 0.00 SOLV H ATOM 22124 H2 TIP3 6698 12.060 41.427 55.190 1.00 0.00 SOLV H ATOM 22125 OH2 TIP3 6699 13.263 40.708 56.360 1.00 0.00 SOLV O ATOM 22126 H1 TIP3 6699 13.235 39.731 56.282 1.00 0.00 SOLV H ATOM 22127 H2 TIP3 6699 13.007 40.851 57.295 1.00 0.00 SOLV H ATOM 22128 OH2 TIP3 6700 2.960 41.626 55.691 1.00 0.00 SOLV O ATOM 22129 H1 TIP3 6700 2.883 40.819 55.142 1.00 0.00 SOLV H ATOM 22130 H2 TIP3 6700 3.139 41.223 56.566 1.00 0.00 SOLV H ATOM 22131 OH2 TIP3 6701 7.800 37.825 54.675 1.00 0.00 SOLV O ATOM 22132 H1 TIP3 6701 8.345 37.021 54.570 1.00 0.00 SOLV H ATOM 22133 H2 TIP3 6701 7.669 38.067 53.736 1.00 0.00 SOLV H ATOM 22134 OH2 TIP3 6702 8.343 39.453 56.807 1.00 0.00 SOLV O ATOM 22135 H1 TIP3 6702 8.209 38.923 55.989 1.00 0.00 SOLV H ATOM 22136 H2 TIP3 6702 7.689 40.174 56.691 1.00 0.00 SOLV H ATOM 22137 OH2 TIP3 6703 7.827 56.408 40.014 1.00 0.00 SOLV O ATOM 22138 H1 TIP3 6703 8.764 56.138 40.018 1.00 0.00 SOLV H ATOM 22139 H2 TIP3 6703 7.871 57.110 39.335 1.00 0.00 SOLV H ATOM 22140 OH2 TIP3 6704 1.550 51.080 39.307 1.00 0.00 SOLV O ATOM 22141 H1 TIP3 6704 2.529 51.119 39.376 1.00 0.00 SOLV H ATOM 22142 H2 TIP3 6704 1.422 50.437 38.587 1.00 0.00 SOLV H ATOM 22143 OH2 TIP3 6705 1.140 54.063 46.062 1.00 0.00 SOLV O ATOM 22144 H1 TIP3 6705 1.060 53.265 46.627 1.00 0.00 SOLV H ATOM 22145 H2 TIP3 6705 1.650 54.618 46.683 1.00 0.00 SOLV H ATOM 22146 OH2 TIP3 6706 18.453 55.113 49.326 1.00 0.00 SOLV O ATOM 22147 H1 TIP3 6706 18.519 55.265 50.284 1.00 0.00 SOLV H ATOM 22148 H2 TIP3 6706 19.305 55.449 49.001 1.00 0.00 SOLV H ATOM 22149 OH2 TIP3 6707 17.902 54.767 52.120 1.00 0.00 SOLV O ATOM 22150 H1 TIP3 6707 17.371 54.029 51.753 1.00 0.00 SOLV H ATOM 22151 H2 TIP3 6707 18.477 54.272 52.726 1.00 0.00 SOLV H ATOM 22152 OH2 TIP3 6708 16.414 50.477 56.883 1.00 0.00 SOLV O ATOM 22153 H1 TIP3 6708 15.571 50.597 57.366 1.00 0.00 SOLV H ATOM 22154 H2 TIP3 6708 16.938 51.226 57.233 1.00 0.00 SOLV H ATOM 22155 OH2 TIP3 6709 17.778 48.802 42.172 1.00 0.00 SOLV O ATOM 22156 H1 TIP3 6709 18.563 49.388 42.180 1.00 0.00 SOLV H ATOM 22157 H2 TIP3 6709 17.959 48.230 42.951 1.00 0.00 SOLV H ATOM 22158 OH2 TIP3 6710 18.220 46.911 44.124 1.00 0.00 SOLV O ATOM 22159 H1 TIP3 6710 17.359 46.549 44.427 1.00 0.00 SOLV H ATOM 22160 H2 TIP3 6710 18.710 47.026 44.965 1.00 0.00 SOLV H ATOM 22161 OH2 TIP3 6711 18.197 49.770 49.288 1.00 0.00 SOLV O ATOM 22162 H1 TIP3 6711 18.702 49.078 48.817 1.00 0.00 SOLV H ATOM 22163 H2 TIP3 6711 18.487 50.586 48.829 1.00 0.00 SOLV H ATOM 22164 OH2 TIP3 6712 16.322 52.569 51.363 1.00 0.00 SOLV O ATOM 22165 H1 TIP3 6712 15.555 53.034 51.751 1.00 0.00 SOLV H ATOM 22166 H2 TIP3 6712 16.016 52.395 50.447 1.00 0.00 SOLV H ATOM 22167 OH2 TIP3 6713 18.473 46.816 40.402 1.00 0.00 SOLV O ATOM 22168 H1 TIP3 6713 17.965 47.106 39.610 1.00 0.00 SOLV H ATOM 22169 H2 TIP3 6713 18.171 47.499 41.039 1.00 0.00 SOLV H ATOM 22170 OH2 TIP3 6714 17.272 43.867 38.772 1.00 0.00 SOLV O ATOM 22171 H1 TIP3 6714 16.925 44.510 38.141 1.00 0.00 SOLV H ATOM 22172 H2 TIP3 6714 16.720 43.078 38.563 1.00 0.00 SOLV H ATOM 22173 OH2 TIP3 6715 15.826 45.671 44.696 1.00 0.00 SOLV O ATOM 22174 H1 TIP3 6715 15.819 44.754 44.372 1.00 0.00 SOLV H ATOM 22175 H2 TIP3 6715 15.429 45.587 45.591 1.00 0.00 SOLV H ATOM 22176 OH2 TIP3 6716 1.297 48.364 48.579 1.00 0.00 SOLV O ATOM 22177 H1 TIP3 6716 1.597 48.070 47.690 1.00 0.00 SOLV H ATOM 22178 H2 TIP3 6716 2.052 48.067 49.127 1.00 0.00 SOLV H ATOM 22179 OH2 TIP3 6717 16.863 47.490 54.523 1.00 0.00 SOLV O ATOM 22180 H1 TIP3 6717 17.463 46.729 54.364 1.00 0.00 SOLV H ATOM 22181 H2 TIP3 6717 17.336 48.220 54.092 1.00 0.00 SOLV H ATOM 22182 OH2 TIP3 6718 18.281 45.157 54.364 1.00 0.00 SOLV O ATOM 22183 H1 TIP3 6718 17.390 44.772 54.508 1.00 0.00 SOLV H ATOM 22184 H2 TIP3 6718 18.842 44.389 54.607 1.00 0.00 SOLV H ATOM 22185 OH2 TIP3 6719 15.909 41.543 38.293 1.00 0.00 SOLV O ATOM 22186 H1 TIP3 6719 16.419 40.768 38.568 1.00 0.00 SOLV H ATOM 22187 H2 TIP3 6719 15.104 41.164 37.888 1.00 0.00 SOLV H ATOM 22188 OH2 TIP3 6720 15.780 43.193 42.981 1.00 0.00 SOLV O ATOM 22189 H1 TIP3 6720 15.982 42.226 42.986 1.00 0.00 SOLV H ATOM 22190 H2 TIP3 6720 16.583 43.535 42.533 1.00 0.00 SOLV H ATOM 22191 OH2 TIP3 6721 16.100 43.408 48.490 1.00 0.00 SOLV O ATOM 22192 H1 TIP3 6721 17.059 43.561 48.329 1.00 0.00 SOLV H ATOM 22193 H2 TIP3 6721 16.073 43.600 49.448 1.00 0.00 SOLV H ATOM 22194 OH2 TIP3 6722 16.420 44.299 51.155 1.00 0.00 SOLV O ATOM 22195 H1 TIP3 6722 15.605 44.678 51.533 1.00 0.00 SOLV H ATOM 22196 H2 TIP3 6722 16.959 45.108 51.007 1.00 0.00 SOLV H ATOM 22197 OH2 TIP3 6723 0.899 43.428 55.293 1.00 0.00 SOLV O ATOM 22198 H1 TIP3 6723 1.674 42.829 55.354 1.00 0.00 SOLV H ATOM 22199 H2 TIP3 6723 0.220 42.797 54.989 1.00 0.00 SOLV H ATOM 22200 OH2 TIP3 6724 18.623 38.508 56.502 1.00 0.00 SOLV O ATOM 22201 H1 TIP3 6724 19.259 37.872 56.107 1.00 0.00 SOLV H ATOM 22202 H2 TIP3 6724 18.579 39.197 55.802 1.00 0.00 SOLV H ATOM 22203 OH2 TIP3 6725 16.085 40.480 43.079 1.00 0.00 SOLV O ATOM 22204 H1 TIP3 6725 16.432 40.068 43.897 1.00 0.00 SOLV H ATOM 22205 H2 TIP3 6725 15.457 39.793 42.780 1.00 0.00 SOLV H ATOM 22206 OH2 TIP3 6726 1.615 41.127 47.650 1.00 0.00 SOLV O ATOM 22207 H1 TIP3 6726 2.110 40.279 47.703 1.00 0.00 SOLV H ATOM 22208 H2 TIP3 6726 2.314 41.754 47.907 1.00 0.00 SOLV H ATOM 22209 OH2 TIP3 6727 0.504 45.285 48.610 1.00 0.00 SOLV O ATOM 22210 H1 TIP3 6727 0.888 45.164 47.721 1.00 0.00 SOLV H ATOM 22211 H2 TIP3 6727 0.524 44.363 48.942 1.00 0.00 SOLV H ATOM 22212 OH2 TIP3 6728 18.022 40.358 54.611 1.00 0.00 SOLV O ATOM 22213 H1 TIP3 6728 17.236 40.937 54.687 1.00 0.00 SOLV H ATOM 22214 H2 TIP3 6728 17.748 39.818 53.841 1.00 0.00 SOLV H ATOM 22215 OH2 TIP3 6729 18.184 40.048 39.521 1.00 0.00 SOLV O ATOM 22216 H1 TIP3 6729 18.799 39.372 39.847 1.00 0.00 SOLV H ATOM 22217 H2 TIP3 6729 18.358 40.806 40.097 1.00 0.00 SOLV H ATOM 22218 OH2 TIP3 6730 1.112 39.816 42.802 1.00 0.00 SOLV O ATOM 22219 H1 TIP3 6730 0.169 39.678 42.640 1.00 0.00 SOLV H ATOM 22220 H2 TIP3 6730 1.326 40.574 42.203 1.00 0.00 SOLV H ATOM 22221 OH2 TIP3 6731 15.176 55.420 44.740 1.00 0.00 SOLV O ATOM 22222 H1 TIP3 6731 15.908 55.402 44.087 1.00 0.00 SOLV H ATOM 22223 H2 TIP3 6731 15.603 55.847 45.501 1.00 0.00 SOLV H ATOM 22224 OH2 TIP3 6732 0.586 38.998 51.048 1.00 0.00 SOLV O ATOM 22225 H1 TIP3 6732 -0.304 38.783 51.379 1.00 0.00 SOLV H ATOM 22226 H2 TIP3 6732 0.412 39.781 50.513 1.00 0.00 SOLV H ATOM 22227 OH2 TIP3 6733 2.596 52.415 55.226 1.00 0.00 SOLV O ATOM 22228 H1 TIP3 6733 2.126 53.166 54.808 1.00 0.00 SOLV H ATOM 22229 H2 TIP3 6733 2.476 52.628 56.162 1.00 0.00 SOLV H ATOM 22230 OH2 TIP3 6734 5.707 53.473 51.433 1.00 0.00 SOLV O ATOM 22231 H1 TIP3 6734 5.426 54.375 51.173 1.00 0.00 SOLV H ATOM 22232 H2 TIP3 6734 6.659 53.559 51.218 1.00 0.00 SOLV H ATOM 22233 OH2 TIP3 6735 9.707 54.609 54.295 1.00 0.00 SOLV O ATOM 22234 H1 TIP3 6735 9.852 54.357 55.232 1.00 0.00 SOLV H ATOM 22235 H2 TIP3 6735 10.527 55.118 54.118 1.00 0.00 SOLV H ATOM 22236 OH2 TIP3 6736 11.989 56.084 53.889 1.00 0.00 SOLV O ATOM 22237 H1 TIP3 6736 12.708 55.581 53.482 1.00 0.00 SOLV H ATOM 22238 H2 TIP3 6736 12.427 56.408 54.705 1.00 0.00 SOLV H ATOM 22239 OH2 TIP3 6737 17.120 38.507 52.746 1.00 0.00 SOLV O ATOM 22240 H1 TIP3 6737 16.369 38.633 52.141 1.00 0.00 SOLV H ATOM 22241 H2 TIP3 6737 17.369 37.572 52.553 1.00 0.00 SOLV H ATOM 22242 OH2 TIP3 6738 2.872 56.454 51.208 1.00 0.00 SOLV O ATOM 22243 H1 TIP3 6738 2.113 57.008 50.937 1.00 0.00 SOLV H ATOM 22244 H2 TIP3 6738 2.524 56.098 52.057 1.00 0.00 SOLV H ATOM 22245 OH2 TIP3 6739 5.510 56.092 50.684 1.00 0.00 SOLV O ATOM 22246 H1 TIP3 6739 4.561 56.266 50.889 1.00 0.00 SOLV H ATOM 22247 H2 TIP3 6739 5.607 56.582 49.844 1.00 0.00 SOLV H ATOM 22248 OH2 TIP3 6740 10.002 55.864 49.869 1.00 0.00 SOLV O ATOM 22249 H1 TIP3 6740 9.553 56.286 49.116 1.00 0.00 SOLV H ATOM 22250 H2 TIP3 6740 10.108 56.616 50.489 1.00 0.00 SOLV H ATOM 22251 OH2 TIP3 6741 12.338 54.644 50.879 1.00 0.00 SOLV O ATOM 22252 H1 TIP3 6741 11.533 55.059 50.512 1.00 0.00 SOLV H ATOM 22253 H2 TIP3 6741 13.014 55.311 50.668 1.00 0.00 SOLV H ATOM 22254 OH2 TIP3 6742 14.732 56.261 50.871 1.00 0.00 SOLV O ATOM 22255 H1 TIP3 6742 14.888 57.195 50.614 1.00 0.00 SOLV H ATOM 22256 H2 TIP3 6742 15.145 55.785 50.115 1.00 0.00 SOLV H ATOM 22257 OH2 TIP3 6743 2.436 55.205 48.314 1.00 0.00 SOLV O ATOM 22258 H1 TIP3 6743 2.358 55.052 49.275 1.00 0.00 SOLV H ATOM 22259 H2 TIP3 6743 3.227 54.664 48.099 1.00 0.00 SOLV H ATOM 22260 OH2 TIP3 6744 4.525 53.814 47.256 1.00 0.00 SOLV O ATOM 22261 H1 TIP3 6744 4.377 52.880 47.539 1.00 0.00 SOLV H ATOM 22262 H2 TIP3 6744 5.448 53.956 47.562 1.00 0.00 SOLV H ATOM 22263 OH2 TIP3 6745 7.116 54.115 48.207 1.00 0.00 SOLV O ATOM 22264 H1 TIP3 6745 7.250 53.166 48.000 1.00 0.00 SOLV H ATOM 22265 H2 TIP3 6745 7.436 54.113 49.132 1.00 0.00 SOLV H ATOM 22266 OH2 TIP3 6746 10.455 39.948 47.167 1.00 0.00 SOLV O ATOM 22267 H1 TIP3 6746 9.854 39.203 47.340 1.00 0.00 SOLV H ATOM 22268 H2 TIP3 6746 11.251 39.500 46.813 1.00 0.00 SOLV H ATOM 22269 OH2 TIP3 6747 15.432 38.054 47.179 1.00 0.00 SOLV O ATOM 22270 H1 TIP3 6747 16.044 38.622 46.659 1.00 0.00 SOLV H ATOM 22271 H2 TIP3 6747 14.569 38.449 46.959 1.00 0.00 SOLV H ATOM 22272 OH2 TIP3 6748 17.099 39.248 45.362 1.00 0.00 SOLV O ATOM 22273 H1 TIP3 6748 17.789 38.603 45.076 1.00 0.00 SOLV H ATOM 22274 H2 TIP3 6748 17.673 40.038 45.492 1.00 0.00 SOLV H ATOM 22275 OH2 TIP3 6749 2.945 38.543 44.782 1.00 0.00 SOLV O ATOM 22276 H1 TIP3 6749 2.228 38.628 44.128 1.00 0.00 SOLV H ATOM 22277 H2 TIP3 6749 3.214 37.601 44.673 1.00 0.00 SOLV H ATOM 22278 OH2 TIP3 6750 1.793 38.223 40.579 1.00 0.00 SOLV O ATOM 22279 H1 TIP3 6750 2.257 38.831 39.980 1.00 0.00 SOLV H ATOM 22280 H2 TIP3 6750 1.762 38.731 41.410 1.00 0.00 SOLV H ATOM 22281 OH2 TIP3 6751 7.526 38.230 44.818 1.00 0.00 SOLV O ATOM 22282 H1 TIP3 6751 8.272 38.702 44.412 1.00 0.00 SOLV H ATOM 22283 H2 TIP3 6751 7.690 38.361 45.764 1.00 0.00 SOLV H ATOM 22284 OH2 TIP3 6752 12.802 38.707 46.262 1.00 0.00 SOLV O ATOM 22285 H1 TIP3 6752 13.088 38.474 45.369 1.00 0.00 SOLV H ATOM 22286 H2 TIP3 6752 12.491 37.835 46.603 1.00 0.00 SOLV H ATOM 22287 OH2 TIP3 6753 14.245 38.679 42.052 1.00 0.00 SOLV O ATOM 22288 H1 TIP3 6753 13.472 39.262 42.197 1.00 0.00 SOLV H ATOM 22289 H2 TIP3 6753 13.848 37.799 42.224 1.00 0.00 SOLV H ATOM 22290 OH2 TIP3 6754 1.628 54.456 41.536 1.00 0.00 SOLV O ATOM 22291 H1 TIP3 6754 1.208 54.053 40.772 1.00 0.00 SOLV H ATOM 22292 H2 TIP3 6754 1.786 55.374 41.216 1.00 0.00 SOLV H ATOM 22293 OH2 TIP3 6755 3.719 40.144 39.093 1.00 0.00 SOLV O ATOM 22294 H1 TIP3 6755 4.208 39.556 38.479 1.00 0.00 SOLV H ATOM 22295 H2 TIP3 6755 4.436 40.406 39.710 1.00 0.00 SOLV H ATOM 22296 OH2 TIP3 6756 8.421 40.760 41.642 1.00 0.00 SOLV O ATOM 22297 H1 TIP3 6756 8.784 40.080 42.237 1.00 0.00 SOLV H ATOM 22298 H2 TIP3 6756 8.676 41.568 42.140 1.00 0.00 SOLV H ATOM 22299 OH2 TIP3 6757 10.418 55.512 39.974 1.00 0.00 SOLV O ATOM 22300 H1 TIP3 6757 11.380 55.674 39.865 1.00 0.00 SOLV H ATOM 22301 H2 TIP3 6757 10.264 54.981 39.158 1.00 0.00 SOLV H ATOM 22302 OH2 TIP3 6758 17.186 55.249 42.848 1.00 0.00 SOLV O ATOM 22303 H1 TIP3 6758 17.005 54.347 42.492 1.00 0.00 SOLV H ATOM 22304 H2 TIP3 6758 17.009 55.793 42.053 1.00 0.00 SOLV H ATOM 22305 OH2 TIP3 6759 2.776 39.190 54.325 1.00 0.00 SOLV O ATOM 22306 H1 TIP3 6759 2.196 38.431 54.557 1.00 0.00 SOLV H ATOM 22307 H2 TIP3 6759 3.589 38.921 54.804 1.00 0.00 SOLV H ATOM 22308 OH2 TIP3 6760 4.876 38.464 56.030 1.00 0.00 SOLV O ATOM 22309 H1 TIP3 6760 5.757 38.120 55.800 1.00 0.00 SOLV H ATOM 22310 H2 TIP3 6760 4.479 37.686 56.478 1.00 0.00 SOLV H ATOM 22311 OH2 TIP3 6761 3.490 55.336 38.446 1.00 0.00 SOLV O ATOM 22312 H1 TIP3 6761 3.415 55.254 39.404 1.00 0.00 SOLV H ATOM 22313 H2 TIP3 6761 4.262 54.746 38.257 1.00 0.00 SOLV H ATOM 22314 OH2 TIP3 6762 13.457 37.917 56.142 1.00 0.00 SOLV O ATOM 22315 H1 TIP3 6762 13.313 37.423 56.979 1.00 0.00 SOLV H ATOM 22316 H2 TIP3 6762 14.412 37.755 55.986 1.00 0.00 SOLV H ATOM 22317 OH2 TIP3 6763 16.201 53.868 54.864 1.00 0.00 SOLV O ATOM 22318 H1 TIP3 6763 15.591 53.855 54.097 1.00 0.00 SOLV H ATOM 22319 H2 TIP3 6763 16.161 54.816 55.103 1.00 0.00 SOLV H ATOM 22320 OH2 TIP3 6764 31.336 47.622 44.424 1.00 0.00 SOLV O ATOM 22321 H1 TIP3 6764 31.452 48.517 44.787 1.00 0.00 SOLV H ATOM 22322 H2 TIP3 6764 30.404 47.642 44.182 1.00 0.00 SOLV H ATOM 22323 OH2 TIP3 6765 29.120 46.988 48.444 1.00 0.00 SOLV O ATOM 22324 H1 TIP3 6765 29.808 46.817 49.110 1.00 0.00 SOLV H ATOM 22325 H2 TIP3 6765 28.885 46.077 48.192 1.00 0.00 SOLV H ATOM 22326 OH2 TIP3 6766 21.950 46.620 49.890 1.00 0.00 SOLV O ATOM 22327 H1 TIP3 6766 21.981 45.774 50.376 1.00 0.00 SOLV H ATOM 22328 H2 TIP3 6766 22.781 47.027 50.172 1.00 0.00 SOLV H ATOM 22329 OH2 TIP3 6767 23.129 51.259 48.142 1.00 0.00 SOLV O ATOM 22330 H1 TIP3 6767 22.901 50.335 47.909 1.00 0.00 SOLV H ATOM 22331 H2 TIP3 6767 24.100 51.183 48.232 1.00 0.00 SOLV H ATOM 22332 OH2 TIP3 6768 19.709 44.452 43.842 1.00 0.00 SOLV O ATOM 22333 H1 TIP3 6768 19.288 45.327 43.899 1.00 0.00 SOLV H ATOM 22334 H2 TIP3 6768 19.366 44.150 42.986 1.00 0.00 SOLV H ATOM 22335 OH2 TIP3 6769 20.139 46.936 46.102 1.00 0.00 SOLV O ATOM 22336 H1 TIP3 6769 20.454 46.018 46.246 1.00 0.00 SOLV H ATOM 22337 H2 TIP3 6769 20.920 47.365 45.725 1.00 0.00 SOLV H ATOM 22338 OH2 TIP3 6770 30.816 55.192 47.124 1.00 0.00 SOLV O ATOM 22339 H1 TIP3 6770 31.139 54.574 46.437 1.00 0.00 SOLV H ATOM 22340 H2 TIP3 6770 30.287 54.613 47.683 1.00 0.00 SOLV H ATOM 22341 OH2 TIP3 6771 28.039 49.534 48.778 1.00 0.00 SOLV O ATOM 22342 H1 TIP3 6771 28.417 48.650 48.550 1.00 0.00 SOLV H ATOM 22343 H2 TIP3 6771 28.833 50.014 49.045 1.00 0.00 SOLV H ATOM 22344 OH2 TIP3 6772 36.827 41.010 49.649 1.00 0.00 SOLV O ATOM 22345 H1 TIP3 6772 37.037 41.684 50.330 1.00 0.00 SOLV H ATOM 22346 H2 TIP3 6772 37.530 41.202 48.984 1.00 0.00 SOLV H ATOM 22347 OH2 TIP3 6773 31.035 43.920 48.986 1.00 0.00 SOLV O ATOM 22348 H1 TIP3 6773 31.236 42.966 48.977 1.00 0.00 SOLV H ATOM 22349 H2 TIP3 6773 31.916 44.320 48.875 1.00 0.00 SOLV H ATOM 22350 OH2 TIP3 6774 20.889 44.353 46.692 1.00 0.00 SOLV O ATOM 22351 H1 TIP3 6774 21.645 43.836 47.022 1.00 0.00 SOLV H ATOM 22352 H2 TIP3 6774 20.746 44.006 45.792 1.00 0.00 SOLV H ATOM 22353 OH2 TIP3 6775 26.133 45.750 46.511 1.00 0.00 SOLV O ATOM 22354 H1 TIP3 6775 27.009 45.597 46.912 1.00 0.00 SOLV H ATOM 22355 H2 TIP3 6775 26.071 44.979 45.935 1.00 0.00 SOLV H ATOM 22356 OH2 TIP3 6776 37.288 42.564 51.914 1.00 0.00 SOLV O ATOM 22357 H1 TIP3 6776 36.568 43.215 51.767 1.00 0.00 SOLV H ATOM 22358 H2 TIP3 6776 37.525 42.766 52.848 1.00 0.00 SOLV H ATOM 22359 OH2 TIP3 6777 23.289 41.017 50.283 1.00 0.00 SOLV O ATOM 22360 H1 TIP3 6777 22.980 41.683 49.648 1.00 0.00 SOLV H ATOM 22361 H2 TIP3 6777 22.610 41.114 50.986 1.00 0.00 SOLV H ATOM 22362 OH2 TIP3 6778 30.680 50.537 43.590 1.00 0.00 SOLV O ATOM 22363 H1 TIP3 6778 30.416 50.639 42.663 1.00 0.00 SOLV H ATOM 22364 H2 TIP3 6778 30.175 51.284 43.994 1.00 0.00 SOLV H ATOM 22365 OH2 TIP3 6779 26.014 48.640 50.349 1.00 0.00 SOLV O ATOM 22366 H1 TIP3 6779 25.495 49.393 50.706 1.00 0.00 SOLV H ATOM 22367 H2 TIP3 6779 26.709 49.108 49.835 1.00 0.00 SOLV H ATOM 22368 OH2 TIP3 6780 22.966 42.730 48.011 1.00 0.00 SOLV O ATOM 22369 H1 TIP3 6780 23.435 43.343 48.623 1.00 0.00 SOLV H ATOM 22370 H2 TIP3 6780 23.720 42.360 47.533 1.00 0.00 SOLV H ATOM 22371 OH2 TIP3 6781 24.421 50.704 51.420 1.00 0.00 SOLV O ATOM 22372 H1 TIP3 6781 24.409 51.667 51.238 1.00 0.00 SOLV H ATOM 22373 H2 TIP3 6781 23.482 50.581 51.676 1.00 0.00 SOLV H ATOM 22374 OH2 TIP3 6782 20.160 50.314 42.010 1.00 0.00 SOLV O ATOM 22375 H1 TIP3 6782 20.085 50.809 41.172 1.00 0.00 SOLV H ATOM 22376 H2 TIP3 6782 20.474 51.025 42.613 1.00 0.00 SOLV H ATOM 22377 OH2 TIP3 6783 34.333 39.965 50.355 1.00 0.00 SOLV O ATOM 22378 H1 TIP3 6783 33.706 40.576 49.946 1.00 0.00 SOLV H ATOM 22379 H2 TIP3 6783 35.193 40.349 50.066 1.00 0.00 SOLV H ATOM 22380 OH2 TIP3 6784 26.920 37.891 48.165 1.00 0.00 SOLV O ATOM 22381 H1 TIP3 6784 26.514 37.131 47.716 1.00 0.00 SOLV H ATOM 22382 H2 TIP3 6784 26.137 38.457 48.313 1.00 0.00 SOLV H ATOM 22383 OH2 TIP3 6785 32.036 53.713 45.039 1.00 0.00 SOLV O ATOM 22384 H1 TIP3 6785 32.475 52.837 45.005 1.00 0.00 SOLV H ATOM 22385 H2 TIP3 6785 32.827 54.301 45.000 1.00 0.00 SOLV H ATOM 22386 OH2 TIP3 6786 33.168 51.113 44.485 1.00 0.00 SOLV O ATOM 22387 H1 TIP3 6786 32.267 50.837 44.217 1.00 0.00 SOLV H ATOM 22388 H2 TIP3 6786 33.317 50.545 45.278 1.00 0.00 SOLV H ATOM 22389 OH2 TIP3 6787 36.271 47.000 50.315 1.00 0.00 SOLV O ATOM 22390 H1 TIP3 6787 35.910 46.996 49.422 1.00 0.00 SOLV H ATOM 22391 H2 TIP3 6787 37.225 47.050 50.117 1.00 0.00 SOLV H ATOM 22392 OH2 TIP3 6788 32.904 45.936 52.242 1.00 0.00 SOLV O ATOM 22393 H1 TIP3 6788 32.342 45.324 52.759 1.00 0.00 SOLV H ATOM 22394 H2 TIP3 6788 32.386 46.011 51.432 1.00 0.00 SOLV H ATOM 22395 OH2 TIP3 6789 24.552 47.842 45.386 1.00 0.00 SOLV O ATOM 22396 H1 TIP3 6789 24.171 47.516 44.538 1.00 0.00 SOLV H ATOM 22397 H2 TIP3 6789 25.141 47.110 45.655 1.00 0.00 SOLV H ATOM 22398 OH2 TIP3 6790 25.919 51.251 47.835 1.00 0.00 SOLV O ATOM 22399 H1 TIP3 6790 25.958 51.312 46.861 1.00 0.00 SOLV H ATOM 22400 H2 TIP3 6790 26.642 50.625 48.041 1.00 0.00 SOLV H ATOM 22401 OH2 TIP3 6791 24.826 46.657 48.882 1.00 0.00 SOLV O ATOM 22402 H1 TIP3 6791 25.347 46.555 48.062 1.00 0.00 SOLV H ATOM 22403 H2 TIP3 6791 25.309 47.373 49.352 1.00 0.00 SOLV H ATOM 22404 OH2 TIP3 6792 26.058 51.062 53.585 1.00 0.00 SOLV O ATOM 22405 H1 TIP3 6792 25.424 51.697 53.985 1.00 0.00 SOLV H ATOM 22406 H2 TIP3 6792 25.547 50.793 52.793 1.00 0.00 SOLV H ATOM 22407 OH2 TIP3 6793 22.827 46.975 52.988 1.00 0.00 SOLV O ATOM 22408 H1 TIP3 6793 22.904 47.799 53.510 1.00 0.00 SOLV H ATOM 22409 H2 TIP3 6793 21.858 46.952 52.841 1.00 0.00 SOLV H ATOM 22410 OH2 TIP3 6794 29.523 52.849 44.368 1.00 0.00 SOLV O ATOM 22411 H1 TIP3 6794 30.362 53.326 44.528 1.00 0.00 SOLV H ATOM 22412 H2 TIP3 6794 29.098 53.398 43.689 1.00 0.00 SOLV H ATOM 22413 OH2 TIP3 6795 24.063 52.863 54.254 1.00 0.00 SOLV O ATOM 22414 H1 TIP3 6795 24.033 53.197 53.336 1.00 0.00 SOLV H ATOM 22415 H2 TIP3 6795 23.110 52.752 54.466 1.00 0.00 SOLV H ATOM 22416 OH2 TIP3 6796 23.438 46.974 42.999 1.00 0.00 SOLV O ATOM 22417 H1 TIP3 6796 23.098 47.653 42.382 1.00 0.00 SOLV H ATOM 22418 H2 TIP3 6796 23.330 46.174 42.472 1.00 0.00 SOLV H ATOM 22419 OH2 TIP3 6797 36.543 52.425 39.066 1.00 0.00 SOLV O ATOM 22420 H1 TIP3 6797 36.775 53.371 39.192 1.00 0.00 SOLV H ATOM 22421 H2 TIP3 6797 37.400 52.001 39.196 1.00 0.00 SOLV H ATOM 22422 OH2 TIP3 6798 19.559 49.364 51.690 1.00 0.00 SOLV O ATOM 22423 H1 TIP3 6798 19.064 49.467 50.849 1.00 0.00 SOLV H ATOM 22424 H2 TIP3 6798 19.768 48.410 51.705 1.00 0.00 SOLV H ATOM 22425 OH2 TIP3 6799 19.472 52.161 48.336 1.00 0.00 SOLV O ATOM 22426 H1 TIP3 6799 20.419 51.983 48.429 1.00 0.00 SOLV H ATOM 22427 H2 TIP3 6799 19.336 52.835 49.021 1.00 0.00 SOLV H ATOM 22428 OH2 TIP3 6800 37.648 53.056 54.239 1.00 0.00 SOLV O ATOM 22429 H1 TIP3 6800 37.365 52.253 53.781 1.00 0.00 SOLV H ATOM 22430 H2 TIP3 6800 36.803 53.315 54.675 1.00 0.00 SOLV H ATOM 22431 OH2 TIP3 6801 28.473 52.172 52.906 1.00 0.00 SOLV O ATOM 22432 H1 TIP3 6801 28.485 53.005 53.423 1.00 0.00 SOLV H ATOM 22433 H2 TIP3 6801 27.609 51.795 53.186 1.00 0.00 SOLV H ATOM 22434 OH2 TIP3 6802 29.279 55.646 42.841 1.00 0.00 SOLV O ATOM 22435 H1 TIP3 6802 28.766 55.097 42.198 1.00 0.00 SOLV H ATOM 22436 H2 TIP3 6802 28.732 56.434 42.938 1.00 0.00 SOLV H ATOM 22437 OH2 TIP3 6803 22.506 54.813 44.830 1.00 0.00 SOLV O ATOM 22438 H1 TIP3 6803 22.801 54.466 45.700 1.00 0.00 SOLV H ATOM 22439 H2 TIP3 6803 22.038 54.046 44.463 1.00 0.00 SOLV H ATOM 22440 OH2 TIP3 6804 32.301 55.486 39.586 1.00 0.00 SOLV O ATOM 22441 H1 TIP3 6804 32.671 54.640 39.271 1.00 0.00 SOLV H ATOM 22442 H2 TIP3 6804 32.073 55.283 40.514 1.00 0.00 SOLV H ATOM 22443 OH2 TIP3 6805 31.904 55.213 42.373 1.00 0.00 SOLV O ATOM 22444 H1 TIP3 6805 30.931 55.359 42.454 1.00 0.00 SOLV H ATOM 22445 H2 TIP3 6805 32.049 54.609 43.116 1.00 0.00 SOLV H ATOM 22446 OH2 TIP3 6806 34.443 44.239 54.515 1.00 0.00 SOLV O ATOM 22447 H1 TIP3 6806 33.568 44.075 54.103 1.00 0.00 SOLV H ATOM 22448 H2 TIP3 6806 34.752 43.319 54.570 1.00 0.00 SOLV H ATOM 22449 OH2 TIP3 6807 21.840 50.747 52.374 1.00 0.00 SOLV O ATOM 22450 H1 TIP3 6807 22.042 50.346 53.241 1.00 0.00 SOLV H ATOM 22451 H2 TIP3 6807 21.008 50.291 52.132 1.00 0.00 SOLV H ATOM 22452 OH2 TIP3 6808 24.411 39.059 48.710 1.00 0.00 SOLV O ATOM 22453 H1 TIP3 6808 23.669 38.982 48.079 1.00 0.00 SOLV H ATOM 22454 H2 TIP3 6808 24.058 39.744 49.317 1.00 0.00 SOLV H ATOM 22455 OH2 TIP3 6809 29.311 38.701 52.026 1.00 0.00 SOLV O ATOM 22456 H1 TIP3 6809 29.786 38.183 52.709 1.00 0.00 SOLV H ATOM 22457 H2 TIP3 6809 28.377 38.621 52.297 1.00 0.00 SOLV H ATOM 22458 OH2 TIP3 6810 24.533 44.117 49.791 1.00 0.00 SOLV O ATOM 22459 H1 TIP3 6810 23.902 44.236 50.531 1.00 0.00 SOLV H ATOM 22460 H2 TIP3 6810 24.660 45.050 49.503 1.00 0.00 SOLV H ATOM 22461 OH2 TIP3 6811 29.231 44.850 54.690 1.00 0.00 SOLV O ATOM 22462 H1 TIP3 6811 28.770 44.126 55.176 1.00 0.00 SOLV H ATOM 22463 H2 TIP3 6811 30.109 44.445 54.540 1.00 0.00 SOLV H ATOM 22464 OH2 TIP3 6812 22.363 44.298 51.465 1.00 0.00 SOLV O ATOM 22465 H1 TIP3 6812 22.641 44.742 52.282 1.00 0.00 SOLV H ATOM 22466 H2 TIP3 6812 21.989 43.459 51.797 1.00 0.00 SOLV H ATOM 22467 OH2 TIP3 6813 18.979 41.215 45.455 1.00 0.00 SOLV O ATOM 22468 H1 TIP3 6813 19.479 41.276 46.293 1.00 0.00 SOLV H ATOM 22469 H2 TIP3 6813 19.550 41.684 44.835 1.00 0.00 SOLV H ATOM 22470 OH2 TIP3 6814 30.125 45.650 50.836 1.00 0.00 SOLV O ATOM 22471 H1 TIP3 6814 30.474 45.004 50.179 1.00 0.00 SOLV H ATOM 22472 H2 TIP3 6814 29.683 45.020 51.445 1.00 0.00 SOLV H ATOM 22473 OH2 TIP3 6815 31.650 41.227 48.814 1.00 0.00 SOLV O ATOM 22474 H1 TIP3 6815 31.282 41.156 49.728 1.00 0.00 SOLV H ATOM 22475 H2 TIP3 6815 31.442 40.342 48.470 1.00 0.00 SOLV H ATOM 22476 OH2 TIP3 6816 35.014 56.564 55.415 1.00 0.00 SOLV O ATOM 22477 H1 TIP3 6816 35.250 57.017 54.586 1.00 0.00 SOLV H ATOM 22478 H2 TIP3 6816 35.768 56.809 55.989 1.00 0.00 SOLV H ATOM 22479 OH2 TIP3 6817 22.639 49.223 54.721 1.00 0.00 SOLV O ATOM 22480 H1 TIP3 6817 23.315 49.260 55.425 1.00 0.00 SOLV H ATOM 22481 H2 TIP3 6817 21.823 49.223 55.258 1.00 0.00 SOLV H ATOM 22482 OH2 TIP3 6818 28.290 44.349 47.846 1.00 0.00 SOLV O ATOM 22483 H1 TIP3 6818 29.124 44.025 48.238 1.00 0.00 SOLV H ATOM 22484 H2 TIP3 6818 27.658 43.966 48.497 1.00 0.00 SOLV H ATOM 22485 OH2 TIP3 6819 27.191 43.242 50.054 1.00 0.00 SOLV O ATOM 22486 H1 TIP3 6819 26.348 43.705 50.229 1.00 0.00 SOLV H ATOM 22487 H2 TIP3 6819 27.735 43.462 50.845 1.00 0.00 SOLV H ATOM 22488 OH2 TIP3 6820 27.569 49.366 41.705 1.00 0.00 SOLV O ATOM 22489 H1 TIP3 6820 27.262 48.463 41.580 1.00 0.00 SOLV H ATOM 22490 H2 TIP3 6820 27.310 49.512 42.645 1.00 0.00 SOLV H ATOM 22491 OH2 TIP3 6821 29.268 49.358 52.995 1.00 0.00 SOLV O ATOM 22492 H1 TIP3 6821 29.226 49.160 53.937 1.00 0.00 SOLV H ATOM 22493 H2 TIP3 6821 29.038 50.300 52.955 1.00 0.00 SOLV H ATOM 22494 OH2 TIP3 6822 22.912 48.579 47.456 1.00 0.00 SOLV O ATOM 22495 H1 TIP3 6822 23.490 48.424 46.679 1.00 0.00 SOLV H ATOM 22496 H2 TIP3 6822 23.155 47.836 48.027 1.00 0.00 SOLV H ATOM 22497 OH2 TIP3 6823 29.637 50.838 40.623 1.00 0.00 SOLV O ATOM 22498 H1 TIP3 6823 29.263 51.758 40.677 1.00 0.00 SOLV H ATOM 22499 H2 TIP3 6823 28.890 50.352 41.031 1.00 0.00 SOLV H ATOM 22500 OH2 TIP3 6824 20.059 46.770 52.752 1.00 0.00 SOLV O ATOM 22501 H1 TIP3 6824 19.881 46.419 53.645 1.00 0.00 SOLV H ATOM 22502 H2 TIP3 6824 19.344 46.354 52.241 1.00 0.00 SOLV H ATOM 22503 OH2 TIP3 6825 27.102 46.565 54.966 1.00 0.00 SOLV O ATOM 22504 H1 TIP3 6825 26.591 46.164 54.249 1.00 0.00 SOLV H ATOM 22505 H2 TIP3 6825 27.969 46.116 54.842 1.00 0.00 SOLV H ATOM 22506 OH2 TIP3 6826 31.639 51.679 52.980 1.00 0.00 SOLV O ATOM 22507 H1 TIP3 6826 30.753 51.863 52.629 1.00 0.00 SOLV H ATOM 22508 H2 TIP3 6826 31.557 52.069 53.880 1.00 0.00 SOLV H ATOM 22509 OH2 TIP3 6827 35.546 52.840 41.766 1.00 0.00 SOLV O ATOM 22510 H1 TIP3 6827 34.838 52.268 42.085 1.00 0.00 SOLV H ATOM 22511 H2 TIP3 6827 35.723 52.498 40.874 1.00 0.00 SOLV H ATOM 22512 OH2 TIP3 6828 32.595 46.870 48.797 1.00 0.00 SOLV O ATOM 22513 H1 TIP3 6828 32.105 47.486 49.333 1.00 0.00 SOLV H ATOM 22514 H2 TIP3 6828 32.899 47.466 48.085 1.00 0.00 SOLV H ATOM 22515 OH2 TIP3 6829 25.394 51.923 45.061 1.00 0.00 SOLV O ATOM 22516 H1 TIP3 6829 25.622 52.834 44.756 1.00 0.00 SOLV H ATOM 22517 H2 TIP3 6829 24.479 51.880 44.766 1.00 0.00 SOLV H ATOM 22518 OH2 TIP3 6830 21.086 46.813 39.487 1.00 0.00 SOLV O ATOM 22519 H1 TIP3 6830 21.563 47.489 40.017 1.00 0.00 SOLV H ATOM 22520 H2 TIP3 6830 20.192 46.868 39.893 1.00 0.00 SOLV H ATOM 22521 OH2 TIP3 6831 26.413 49.534 44.137 1.00 0.00 SOLV O ATOM 22522 H1 TIP3 6831 26.215 50.449 44.426 1.00 0.00 SOLV H ATOM 22523 H2 TIP3 6831 25.763 49.028 44.656 1.00 0.00 SOLV H ATOM 22524 OH2 TIP3 6832 27.150 53.809 50.699 1.00 0.00 SOLV O ATOM 22525 H1 TIP3 6832 27.771 54.540 50.486 1.00 0.00 SOLV H ATOM 22526 H2 TIP3 6832 27.715 53.239 51.246 1.00 0.00 SOLV H ATOM 22527 OH2 TIP3 6833 25.303 54.588 44.338 1.00 0.00 SOLV O ATOM 22528 H1 TIP3 6833 24.388 54.904 44.278 1.00 0.00 SOLV H ATOM 22529 H2 TIP3 6833 25.798 55.432 44.336 1.00 0.00 SOLV H ATOM 22530 OH2 TIP3 6834 33.124 50.792 39.467 1.00 0.00 SOLV O ATOM 22531 H1 TIP3 6834 33.329 50.180 40.209 1.00 0.00 SOLV H ATOM 22532 H2 TIP3 6834 32.158 50.851 39.537 1.00 0.00 SOLV H ATOM 22533 OH2 TIP3 6835 33.463 54.181 52.614 1.00 0.00 SOLV O ATOM 22534 H1 TIP3 6835 32.575 53.951 52.270 1.00 0.00 SOLV H ATOM 22535 H2 TIP3 6835 33.591 55.041 52.161 1.00 0.00 SOLV H ATOM 22536 OH2 TIP3 6836 37.330 55.070 39.684 1.00 0.00 SOLV O ATOM 22537 H1 TIP3 6836 37.902 55.819 39.452 1.00 0.00 SOLV H ATOM 22538 H2 TIP3 6836 36.542 55.568 39.993 1.00 0.00 SOLV H ATOM 22539 OH2 TIP3 6837 21.291 41.633 52.093 1.00 0.00 SOLV O ATOM 22540 H1 TIP3 6837 20.340 41.816 51.963 1.00 0.00 SOLV H ATOM 22541 H2 TIP3 6837 21.270 40.953 52.784 1.00 0.00 SOLV H ATOM 22542 OH2 TIP3 6838 33.791 49.195 41.602 1.00 0.00 SOLV O ATOM 22543 H1 TIP3 6838 33.331 49.201 42.456 1.00 0.00 SOLV H ATOM 22544 H2 TIP3 6838 34.702 49.388 41.855 1.00 0.00 SOLV H ATOM 22545 OH2 TIP3 6839 21.128 53.351 50.523 1.00 0.00 SOLV O ATOM 22546 H1 TIP3 6839 21.466 52.530 50.919 1.00 0.00 SOLV H ATOM 22547 H2 TIP3 6839 21.401 54.011 51.177 1.00 0.00 SOLV H ATOM 22548 OH2 TIP3 6840 26.541 51.946 37.720 1.00 0.00 SOLV O ATOM 22549 H1 TIP3 6840 26.846 51.043 37.549 1.00 0.00 SOLV H ATOM 22550 H2 TIP3 6840 26.592 51.999 38.688 1.00 0.00 SOLV H ATOM 22551 OH2 TIP3 6841 25.772 51.670 40.508 1.00 0.00 SOLV O ATOM 22552 H1 TIP3 6841 26.267 51.074 41.089 1.00 0.00 SOLV H ATOM 22553 H2 TIP3 6841 26.350 52.462 40.612 1.00 0.00 SOLV H ATOM 22554 OH2 TIP3 6842 22.223 48.741 41.090 1.00 0.00 SOLV O ATOM 22555 H1 TIP3 6842 21.481 49.184 41.557 1.00 0.00 SOLV H ATOM 22556 H2 TIP3 6842 22.601 49.514 40.620 1.00 0.00 SOLV H ATOM 22557 OH2 TIP3 6843 30.677 41.042 51.275 1.00 0.00 SOLV O ATOM 22558 H1 TIP3 6843 30.963 41.572 52.046 1.00 0.00 SOLV H ATOM 22559 H2 TIP3 6843 30.163 40.316 51.687 1.00 0.00 SOLV H ATOM 22560 OH2 TIP3 6844 28.803 43.686 52.265 1.00 0.00 SOLV O ATOM 22561 H1 TIP3 6844 28.630 44.139 53.115 1.00 0.00 SOLV H ATOM 22562 H2 TIP3 6844 29.651 43.259 52.500 1.00 0.00 SOLV H ATOM 22563 OH2 TIP3 6845 34.462 41.580 53.514 1.00 0.00 SOLV O ATOM 22564 H1 TIP3 6845 33.527 41.846 53.621 1.00 0.00 SOLV H ATOM 22565 H2 TIP3 6845 34.578 41.674 52.564 1.00 0.00 SOLV H ATOM 22566 OH2 TIP3 6846 23.070 51.003 39.669 1.00 0.00 SOLV O ATOM 22567 H1 TIP3 6846 23.840 51.462 40.070 1.00 0.00 SOLV H ATOM 22568 H2 TIP3 6846 23.520 50.578 38.910 1.00 0.00 SOLV H ATOM 22569 OH2 TIP3 6847 20.950 44.226 38.677 1.00 0.00 SOLV O ATOM 22570 H1 TIP3 6847 21.289 45.089 38.990 1.00 0.00 SOLV H ATOM 22571 H2 TIP3 6847 20.114 44.199 39.157 1.00 0.00 SOLV H ATOM 22572 OH2 TIP3 6848 34.693 54.977 49.058 1.00 0.00 SOLV O ATOM 22573 H1 TIP3 6848 34.501 55.557 48.287 1.00 0.00 SOLV H ATOM 22574 H2 TIP3 6848 35.663 54.879 48.970 1.00 0.00 SOLV H ATOM 22575 OH2 TIP3 6849 21.923 38.749 47.466 1.00 0.00 SOLV O ATOM 22576 H1 TIP3 6849 21.787 38.353 46.595 1.00 0.00 SOLV H ATOM 22577 H2 TIP3 6849 21.610 38.014 48.036 1.00 0.00 SOLV H ATOM 22578 OH2 TIP3 6850 20.812 52.610 43.375 1.00 0.00 SOLV O ATOM 22579 H1 TIP3 6850 20.182 52.893 44.051 1.00 0.00 SOLV H ATOM 22580 H2 TIP3 6850 20.725 53.324 42.697 1.00 0.00 SOLV H ATOM 22581 OH2 TIP3 6851 20.350 55.635 55.349 1.00 0.00 SOLV O ATOM 22582 H1 TIP3 6851 21.060 55.399 55.993 1.00 0.00 SOLV H ATOM 22583 H2 TIP3 6851 20.102 54.753 55.028 1.00 0.00 SOLV H ATOM 22584 OH2 TIP3 6852 24.587 54.012 56.696 1.00 0.00 SOLV O ATOM 22585 H1 TIP3 6852 25.494 53.763 56.920 1.00 0.00 SOLV H ATOM 22586 H2 TIP3 6852 24.486 53.582 55.820 1.00 0.00 SOLV H ATOM 22587 OH2 TIP3 6853 31.278 52.584 55.571 1.00 0.00 SOLV O ATOM 22588 H1 TIP3 6853 31.000 51.765 56.046 1.00 0.00 SOLV H ATOM 22589 H2 TIP3 6853 32.026 52.890 56.124 1.00 0.00 SOLV H ATOM 22590 OH2 TIP3 6854 33.359 53.258 38.191 1.00 0.00 SOLV O ATOM 22591 H1 TIP3 6854 33.424 52.432 38.710 1.00 0.00 SOLV H ATOM 22592 H2 TIP3 6854 34.181 53.241 37.669 1.00 0.00 SOLV H ATOM 22593 OH2 TIP3 6855 20.172 49.198 56.056 1.00 0.00 SOLV O ATOM 22594 H1 TIP3 6855 20.162 48.229 55.938 1.00 0.00 SOLV H ATOM 22595 H2 TIP3 6855 19.482 49.484 55.417 1.00 0.00 SOLV H ATOM 22596 OH2 TIP3 6856 24.357 49.335 37.942 1.00 0.00 SOLV O ATOM 22597 H1 TIP3 6856 24.596 48.703 38.630 1.00 0.00 SOLV H ATOM 22598 H2 TIP3 6856 25.239 49.537 37.568 1.00 0.00 SOLV H ATOM 22599 OH2 TIP3 6857 26.668 49.321 55.590 1.00 0.00 SOLV O ATOM 22600 H1 TIP3 6857 26.554 49.806 54.744 1.00 0.00 SOLV H ATOM 22601 H2 TIP3 6857 26.903 48.418 55.289 1.00 0.00 SOLV H ATOM 22602 OH2 TIP3 6858 30.177 50.473 37.974 1.00 0.00 SOLV O ATOM 22603 H1 TIP3 6858 30.003 50.668 38.922 1.00 0.00 SOLV H ATOM 22604 H2 TIP3 6858 29.384 49.982 37.737 1.00 0.00 SOLV H ATOM 22605 OH2 TIP3 6859 33.219 49.477 52.409 1.00 0.00 SOLV O ATOM 22606 H1 TIP3 6859 32.753 50.286 52.721 1.00 0.00 SOLV H ATOM 22607 H2 TIP3 6859 32.467 48.879 52.318 1.00 0.00 SOLV H ATOM 22608 OH2 TIP3 6860 21.013 46.465 55.622 1.00 0.00 SOLV O ATOM 22609 H1 TIP3 6860 21.862 46.100 55.340 1.00 0.00 SOLV H ATOM 22610 H2 TIP3 6860 21.129 46.518 56.594 1.00 0.00 SOLV H ATOM 22611 OH2 TIP3 6861 24.960 45.251 52.749 1.00 0.00 SOLV O ATOM 22612 H1 TIP3 6861 24.326 46.000 52.784 1.00 0.00 SOLV H ATOM 22613 H2 TIP3 6861 25.734 45.665 52.300 1.00 0.00 SOLV H ATOM 22614 OH2 TIP3 6862 30.103 47.893 56.281 1.00 0.00 SOLV O ATOM 22615 H1 TIP3 6862 30.898 47.482 55.915 1.00 0.00 SOLV H ATOM 22616 H2 TIP3 6862 29.703 47.140 56.756 1.00 0.00 SOLV H ATOM 22617 OH2 TIP3 6863 25.343 42.796 53.812 1.00 0.00 SOLV O ATOM 22618 H1 TIP3 6863 25.544 42.179 53.081 1.00 0.00 SOLV H ATOM 22619 H2 TIP3 6863 25.248 43.651 53.332 1.00 0.00 SOLV H ATOM 22620 OH2 TIP3 6864 25.791 41.126 51.507 1.00 0.00 SOLV O ATOM 22621 H1 TIP3 6864 26.384 41.618 50.910 1.00 0.00 SOLV H ATOM 22622 H2 TIP3 6864 24.938 41.162 51.028 1.00 0.00 SOLV H ATOM 22623 OH2 TIP3 6865 27.087 46.430 51.631 1.00 0.00 SOLV O ATOM 22624 H1 TIP3 6865 28.050 46.535 51.580 1.00 0.00 SOLV H ATOM 22625 H2 TIP3 6865 26.779 47.252 51.193 1.00 0.00 SOLV H ATOM 22626 OH2 TIP3 6866 31.587 44.045 56.629 1.00 0.00 SOLV O ATOM 22627 H1 TIP3 6866 31.618 43.487 55.828 1.00 0.00 SOLV H ATOM 22628 H2 TIP3 6866 32.482 44.404 56.642 1.00 0.00 SOLV H ATOM 22629 OH2 TIP3 6867 33.156 47.329 54.924 1.00 0.00 SOLV O ATOM 22630 H1 TIP3 6867 33.273 48.012 54.252 1.00 0.00 SOLV H ATOM 22631 H2 TIP3 6867 33.515 46.546 54.466 1.00 0.00 SOLV H ATOM 22632 OH2 TIP3 6868 23.845 43.530 56.054 1.00 0.00 SOLV O ATOM 22633 H1 TIP3 6868 23.057 42.971 55.903 1.00 0.00 SOLV H ATOM 22634 H2 TIP3 6868 24.336 43.392 55.216 1.00 0.00 SOLV H ATOM 22635 OH2 TIP3 6869 26.456 38.421 52.034 1.00 0.00 SOLV O ATOM 22636 H1 TIP3 6869 26.197 39.346 51.837 1.00 0.00 SOLV H ATOM 22637 H2 TIP3 6869 25.762 37.917 51.564 1.00 0.00 SOLV H ATOM 22638 OH2 TIP3 6870 27.565 42.920 55.546 1.00 0.00 SOLV O ATOM 22639 H1 TIP3 6870 27.362 42.385 56.328 1.00 0.00 SOLV H ATOM 22640 H2 TIP3 6870 26.776 42.766 54.992 1.00 0.00 SOLV H ATOM 22641 OH2 TIP3 6871 32.784 40.430 56.903 1.00 0.00 SOLV O ATOM 22642 H1 TIP3 6871 32.292 39.677 56.539 1.00 0.00 SOLV H ATOM 22643 H2 TIP3 6871 32.209 40.738 57.630 1.00 0.00 SOLV H ATOM 22644 OH2 TIP3 6872 21.818 41.615 55.687 1.00 0.00 SOLV O ATOM 22645 H1 TIP3 6872 21.852 40.790 55.168 1.00 0.00 SOLV H ATOM 22646 H2 TIP3 6872 21.959 41.265 56.592 1.00 0.00 SOLV H ATOM 22647 OH2 TIP3 6873 26.585 37.781 54.690 1.00 0.00 SOLV O ATOM 22648 H1 TIP3 6873 27.176 37.008 54.594 1.00 0.00 SOLV H ATOM 22649 H2 TIP3 6873 26.485 38.040 53.750 1.00 0.00 SOLV H ATOM 22650 OH2 TIP3 6874 27.106 39.400 56.830 1.00 0.00 SOLV O ATOM 22651 H1 TIP3 6874 27.004 38.898 55.992 1.00 0.00 SOLV H ATOM 22652 H2 TIP3 6874 26.457 40.129 56.713 1.00 0.00 SOLV H ATOM 22653 OH2 TIP3 6875 20.310 51.124 39.262 1.00 0.00 SOLV O ATOM 22654 H1 TIP3 6875 21.283 51.166 39.385 1.00 0.00 SOLV H ATOM 22655 H2 TIP3 6875 20.227 50.385 38.619 1.00 0.00 SOLV H ATOM 22656 OH2 TIP3 6876 19.155 56.292 44.500 1.00 0.00 SOLV O ATOM 22657 H1 TIP3 6876 18.589 55.931 43.784 1.00 0.00 SOLV H ATOM 22658 H2 TIP3 6876 19.343 55.478 45.011 1.00 0.00 SOLV H ATOM 22659 OH2 TIP3 6877 19.689 54.097 46.127 1.00 0.00 SOLV O ATOM 22660 H1 TIP3 6877 19.287 53.395 46.669 1.00 0.00 SOLV H ATOM 22661 H2 TIP3 6877 20.201 54.569 46.809 1.00 0.00 SOLV H ATOM 22662 OH2 TIP3 6878 37.420 54.933 49.338 1.00 0.00 SOLV O ATOM 22663 H1 TIP3 6878 37.398 55.159 50.286 1.00 0.00 SOLV H ATOM 22664 H2 TIP3 6878 38.181 55.448 49.024 1.00 0.00 SOLV H ATOM 22665 OH2 TIP3 6879 36.750 54.776 52.095 1.00 0.00 SOLV O ATOM 22666 H1 TIP3 6879 36.210 54.049 51.741 1.00 0.00 SOLV H ATOM 22667 H2 TIP3 6879 37.280 54.303 52.760 1.00 0.00 SOLV H ATOM 22668 OH2 TIP3 6880 35.355 50.365 56.723 1.00 0.00 SOLV O ATOM 22669 H1 TIP3 6880 34.506 50.470 57.200 1.00 0.00 SOLV H ATOM 22670 H2 TIP3 6880 35.851 51.124 57.092 1.00 0.00 SOLV H ATOM 22671 OH2 TIP3 6881 36.931 49.694 49.494 1.00 0.00 SOLV O ATOM 22672 H1 TIP3 6881 37.402 48.986 49.009 1.00 0.00 SOLV H ATOM 22673 H2 TIP3 6881 37.210 50.486 48.986 1.00 0.00 SOLV H ATOM 22674 OH2 TIP3 6882 35.100 52.357 51.333 1.00 0.00 SOLV O ATOM 22675 H1 TIP3 6882 34.466 52.818 51.925 1.00 0.00 SOLV H ATOM 22676 H2 TIP3 6882 34.846 52.729 50.474 1.00 0.00 SOLV H ATOM 22677 OH2 TIP3 6883 19.634 47.469 48.740 1.00 0.00 SOLV O ATOM 22678 H1 TIP3 6883 19.784 47.345 47.777 1.00 0.00 SOLV H ATOM 22679 H2 TIP3 6883 20.535 47.270 49.088 1.00 0.00 SOLV H ATOM 22680 OH2 TIP3 6884 36.893 45.499 54.788 1.00 0.00 SOLV O ATOM 22681 H1 TIP3 6884 36.017 45.127 54.562 1.00 0.00 SOLV H ATOM 22682 H2 TIP3 6884 37.441 44.690 54.797 1.00 0.00 SOLV H ATOM 22683 OH2 TIP3 6885 35.360 44.480 51.324 1.00 0.00 SOLV O ATOM 22684 H1 TIP3 6885 34.524 44.771 51.731 1.00 0.00 SOLV H ATOM 22685 H2 TIP3 6885 35.681 45.333 50.968 1.00 0.00 SOLV H ATOM 22686 OH2 TIP3 6886 19.485 42.715 54.732 1.00 0.00 SOLV O ATOM 22687 H1 TIP3 6886 20.376 42.487 55.077 1.00 0.00 SOLV H ATOM 22688 H2 TIP3 6886 19.035 41.853 54.845 1.00 0.00 SOLV H ATOM 22689 OH2 TIP3 6887 37.444 38.515 56.491 1.00 0.00 SOLV O ATOM 22690 H1 TIP3 6887 38.074 37.864 56.113 1.00 0.00 SOLV H ATOM 22691 H2 TIP3 6887 37.427 39.199 55.783 1.00 0.00 SOLV H ATOM 22692 OH2 TIP3 6888 20.588 41.203 47.675 1.00 0.00 SOLV O ATOM 22693 H1 TIP3 6888 21.006 40.318 47.678 1.00 0.00 SOLV H ATOM 22694 H2 TIP3 6888 21.346 41.777 47.892 1.00 0.00 SOLV H ATOM 22695 OH2 TIP3 6889 18.770 44.042 48.560 1.00 0.00 SOLV O ATOM 22696 H1 TIP3 6889 19.484 44.169 47.904 1.00 0.00 SOLV H ATOM 22697 H2 TIP3 6889 18.960 44.742 49.195 1.00 0.00 SOLV H ATOM 22698 OH2 TIP3 6890 36.919 40.400 54.617 1.00 0.00 SOLV O ATOM 22699 H1 TIP3 6890 36.181 41.004 54.828 1.00 0.00 SOLV H ATOM 22700 H2 TIP3 6890 36.559 39.950 53.828 1.00 0.00 SOLV H ATOM 22701 OH2 TIP3 6891 34.132 55.358 44.803 1.00 0.00 SOLV O ATOM 22702 H1 TIP3 6891 34.845 55.396 44.130 1.00 0.00 SOLV H ATOM 22703 H2 TIP3 6891 34.535 55.823 45.554 1.00 0.00 SOLV H ATOM 22704 OH2 TIP3 6892 19.333 38.962 50.977 1.00 0.00 SOLV O ATOM 22705 H1 TIP3 6892 18.632 38.933 51.649 1.00 0.00 SOLV H ATOM 22706 H2 TIP3 6892 18.953 39.611 50.349 1.00 0.00 SOLV H ATOM 22707 OH2 TIP3 6893 21.452 52.635 55.142 1.00 0.00 SOLV O ATOM 22708 H1 TIP3 6893 20.547 52.637 54.775 1.00 0.00 SOLV H ATOM 22709 H2 TIP3 6893 21.313 52.254 56.017 1.00 0.00 SOLV H ATOM 22710 OH2 TIP3 6894 24.528 53.492 51.499 1.00 0.00 SOLV O ATOM 22711 H1 TIP3 6894 24.287 54.397 51.203 1.00 0.00 SOLV H ATOM 22712 H2 TIP3 6894 25.482 53.525 51.273 1.00 0.00 SOLV H ATOM 22713 OH2 TIP3 6895 28.500 54.622 54.306 1.00 0.00 SOLV O ATOM 22714 H1 TIP3 6895 28.664 54.359 55.237 1.00 0.00 SOLV H ATOM 22715 H2 TIP3 6895 29.309 55.149 54.127 1.00 0.00 SOLV H ATOM 22716 OH2 TIP3 6896 30.742 56.148 53.891 1.00 0.00 SOLV O ATOM 22717 H1 TIP3 6896 31.394 55.705 53.328 1.00 0.00 SOLV H ATOM 22718 H2 TIP3 6896 31.279 56.393 54.677 1.00 0.00 SOLV H ATOM 22719 OH2 TIP3 6897 36.032 38.520 52.752 1.00 0.00 SOLV O ATOM 22720 H1 TIP3 6897 35.305 38.754 52.156 1.00 0.00 SOLV H ATOM 22721 H2 TIP3 6897 36.220 37.589 52.508 1.00 0.00 SOLV H ATOM 22722 OH2 TIP3 6898 21.592 56.426 51.586 1.00 0.00 SOLV O ATOM 22723 H1 TIP3 6898 20.807 56.889 51.217 1.00 0.00 SOLV H ATOM 22724 H2 TIP3 6898 21.697 56.908 52.420 1.00 0.00 SOLV H ATOM 22725 OH2 TIP3 6899 24.212 56.092 50.741 1.00 0.00 SOLV O ATOM 22726 H1 TIP3 6899 23.266 56.278 50.931 1.00 0.00 SOLV H ATOM 22727 H2 TIP3 6899 24.343 56.588 49.907 1.00 0.00 SOLV H ATOM 22728 OH2 TIP3 6900 28.842 55.816 49.855 1.00 0.00 SOLV O ATOM 22729 H1 TIP3 6900 28.386 56.245 49.107 1.00 0.00 SOLV H ATOM 22730 H2 TIP3 6900 28.973 56.573 50.464 1.00 0.00 SOLV H ATOM 22731 OH2 TIP3 6901 31.231 54.851 51.095 1.00 0.00 SOLV O ATOM 22732 H1 TIP3 6901 30.409 55.065 50.616 1.00 0.00 SOLV H ATOM 22733 H2 TIP3 6901 31.864 55.448 50.671 1.00 0.00 SOLV H ATOM 22734 OH2 TIP3 6902 33.763 56.451 51.103 1.00 0.00 SOLV O ATOM 22735 H1 TIP3 6902 33.803 57.366 50.750 1.00 0.00 SOLV H ATOM 22736 H2 TIP3 6902 34.102 55.936 50.331 1.00 0.00 SOLV H ATOM 22737 OH2 TIP3 6903 21.160 55.106 48.349 1.00 0.00 SOLV O ATOM 22738 H1 TIP3 6903 21.149 54.582 49.178 1.00 0.00 SOLV H ATOM 22739 H2 TIP3 6903 21.961 54.709 47.934 1.00 0.00 SOLV H ATOM 22740 OH2 TIP3 6904 23.280 53.830 47.280 1.00 0.00 SOLV O ATOM 22741 H1 TIP3 6904 23.189 52.894 47.581 1.00 0.00 SOLV H ATOM 22742 H2 TIP3 6904 24.215 54.007 47.518 1.00 0.00 SOLV H ATOM 22743 OH2 TIP3 6905 25.937 54.155 48.207 1.00 0.00 SOLV O ATOM 22744 H1 TIP3 6905 26.120 53.252 47.894 1.00 0.00 SOLV H ATOM 22745 H2 TIP3 6905 26.264 54.082 49.125 1.00 0.00 SOLV H ATOM 22746 OH2 TIP3 6906 20.524 54.639 41.607 1.00 0.00 SOLV O ATOM 22747 H1 TIP3 6906 19.738 54.580 41.034 1.00 0.00 SOLV H ATOM 22748 H2 TIP3 6906 20.728 55.589 41.498 1.00 0.00 SOLV H ATOM 22749 OH2 TIP3 6907 36.102 55.286 42.861 1.00 0.00 SOLV O ATOM 22750 H1 TIP3 6907 35.953 54.374 42.515 1.00 0.00 SOLV H ATOM 22751 H2 TIP3 6907 35.867 55.817 42.071 1.00 0.00 SOLV H ATOM 22752 OH2 TIP3 6908 21.659 39.121 54.280 1.00 0.00 SOLV O ATOM 22753 H1 TIP3 6908 21.064 38.407 54.582 1.00 0.00 SOLV H ATOM 22754 H2 TIP3 6908 22.470 38.893 54.785 1.00 0.00 SOLV H ATOM 22755 OH2 TIP3 6909 23.717 38.432 56.012 1.00 0.00 SOLV O ATOM 22756 H1 TIP3 6909 24.628 38.174 55.786 1.00 0.00 SOLV H ATOM 22757 H2 TIP3 6909 23.379 37.618 56.436 1.00 0.00 SOLV H ATOM 22758 OH2 TIP3 6910 22.222 55.217 38.368 1.00 0.00 SOLV O ATOM 22759 H1 TIP3 6910 22.148 55.199 39.331 1.00 0.00 SOLV H ATOM 22760 H2 TIP3 6910 23.049 54.694 38.225 1.00 0.00 SOLV H ATOM 22761 OH2 TIP3 6911 32.220 37.738 56.037 1.00 0.00 SOLV O ATOM 22762 H1 TIP3 6911 32.131 37.309 56.913 1.00 0.00 SOLV H ATOM 22763 H2 TIP3 6911 33.193 37.733 55.917 1.00 0.00 SOLV H ATOM 22764 OH2 TIP3 6912 35.085 53.874 54.849 1.00 0.00 SOLV O ATOM 22765 H1 TIP3 6912 34.451 53.867 54.100 1.00 0.00 SOLV H ATOM 22766 H2 TIP3 6912 35.013 54.811 55.125 1.00 0.00 SOLV H ATOM 22767 OH2 TIP3 6913 49.827 47.920 44.642 1.00 0.00 SOLV O ATOM 22768 H1 TIP3 6913 49.670 48.880 44.533 1.00 0.00 SOLV H ATOM 22769 H2 TIP3 6913 49.089 47.560 44.119 1.00 0.00 SOLV H ATOM 22770 OH2 TIP3 6914 48.696 47.037 48.458 1.00 0.00 SOLV O ATOM 22771 H1 TIP3 6914 48.834 46.630 49.337 1.00 0.00 SOLV H ATOM 22772 H2 TIP3 6914 48.204 46.330 48.004 1.00 0.00 SOLV H ATOM 22773 OH2 TIP3 6915 40.735 46.524 50.072 1.00 0.00 SOLV O ATOM 22774 H1 TIP3 6915 40.816 45.703 50.592 1.00 0.00 SOLV H ATOM 22775 H2 TIP3 6915 41.549 46.980 50.330 1.00 0.00 SOLV H ATOM 22776 OH2 TIP3 6916 52.369 50.150 46.713 1.00 0.00 SOLV O ATOM 22777 H1 TIP3 6916 51.867 49.442 47.143 1.00 0.00 SOLV H ATOM 22778 H2 TIP3 6916 52.603 50.723 47.465 1.00 0.00 SOLV H ATOM 22779 OH2 TIP3 6917 41.992 51.238 48.149 1.00 0.00 SOLV O ATOM 22780 H1 TIP3 6917 41.749 50.315 47.911 1.00 0.00 SOLV H ATOM 22781 H2 TIP3 6917 42.946 51.130 48.310 1.00 0.00 SOLV H ATOM 22782 OH2 TIP3 6918 49.642 55.176 47.122 1.00 0.00 SOLV O ATOM 22783 H1 TIP3 6918 50.021 54.511 46.513 1.00 0.00 SOLV H ATOM 22784 H2 TIP3 6918 49.160 54.619 47.746 1.00 0.00 SOLV H ATOM 22785 OH2 TIP3 6919 46.934 49.584 48.819 1.00 0.00 SOLV O ATOM 22786 H1 TIP3 6919 47.332 48.809 48.386 1.00 0.00 SOLV H ATOM 22787 H2 TIP3 6919 47.694 49.841 49.383 1.00 0.00 SOLV H ATOM 22788 OH2 TIP3 6920 55.694 41.038 49.650 1.00 0.00 SOLV O ATOM 22789 H1 TIP3 6920 55.940 41.637 50.388 1.00 0.00 SOLV H ATOM 22790 H2 TIP3 6920 56.186 41.426 48.910 1.00 0.00 SOLV H ATOM 22791 OH2 TIP3 6921 50.201 43.889 48.873 1.00 0.00 SOLV O ATOM 22792 H1 TIP3 6921 50.395 42.936 48.967 1.00 0.00 SOLV H ATOM 22793 H2 TIP3 6921 49.987 43.942 47.920 1.00 0.00 SOLV H ATOM 22794 OH2 TIP3 6922 43.055 41.577 45.793 1.00 0.00 SOLV O ATOM 22795 H1 TIP3 6922 43.371 42.452 45.488 1.00 0.00 SOLV H ATOM 22796 H2 TIP3 6922 42.368 41.423 45.105 1.00 0.00 SOLV H ATOM 22797 OH2 TIP3 6923 51.064 42.086 44.735 1.00 0.00 SOLV O ATOM 22798 H1 TIP3 6923 51.647 41.757 45.455 1.00 0.00 SOLV H ATOM 22799 H2 TIP3 6923 51.714 42.468 44.125 1.00 0.00 SOLV H ATOM 22800 OH2 TIP3 6924 39.826 44.172 47.218 1.00 0.00 SOLV O ATOM 22801 H1 TIP3 6924 40.673 43.774 47.490 1.00 0.00 SOLV H ATOM 22802 H2 TIP3 6924 39.828 44.052 46.259 1.00 0.00 SOLV H ATOM 22803 OH2 TIP3 6925 44.886 45.803 46.508 1.00 0.00 SOLV O ATOM 22804 H1 TIP3 6925 45.747 45.408 46.762 1.00 0.00 SOLV H ATOM 22805 H2 TIP3 6925 44.492 45.089 45.961 1.00 0.00 SOLV H ATOM 22806 OH2 TIP3 6926 56.218 42.542 51.899 1.00 0.00 SOLV O ATOM 22807 H1 TIP3 6926 55.506 43.182 51.695 1.00 0.00 SOLV H ATOM 22808 H2 TIP3 6926 55.887 42.194 52.747 1.00 0.00 SOLV H ATOM 22809 OH2 TIP3 6927 42.090 40.763 50.258 1.00 0.00 SOLV O ATOM 22810 H1 TIP3 6927 41.832 41.394 49.561 1.00 0.00 SOLV H ATOM 22811 H2 TIP3 6927 41.388 40.932 50.923 1.00 0.00 SOLV H ATOM 22812 OH2 TIP3 6928 49.479 50.493 43.638 1.00 0.00 SOLV O ATOM 22813 H1 TIP3 6928 49.173 50.551 42.717 1.00 0.00 SOLV H ATOM 22814 H2 TIP3 6928 48.973 51.239 44.037 1.00 0.00 SOLV H ATOM 22815 OH2 TIP3 6929 44.840 48.667 50.317 1.00 0.00 SOLV O ATOM 22816 H1 TIP3 6929 44.298 49.389 50.701 1.00 0.00 SOLV H ATOM 22817 H2 TIP3 6929 45.521 49.165 49.815 1.00 0.00 SOLV H ATOM 22818 OH2 TIP3 6930 52.724 41.609 46.803 1.00 0.00 SOLV O ATOM 22819 H1 TIP3 6930 52.114 41.198 47.436 1.00 0.00 SOLV H ATOM 22820 H2 TIP3 6930 53.178 42.259 47.385 1.00 0.00 SOLV H ATOM 22821 OH2 TIP3 6931 41.859 42.552 48.158 1.00 0.00 SOLV O ATOM 22822 H1 TIP3 6931 42.487 43.109 48.671 1.00 0.00 SOLV H ATOM 22823 H2 TIP3 6931 42.412 42.229 47.416 1.00 0.00 SOLV H ATOM 22824 OH2 TIP3 6932 43.213 50.691 51.450 1.00 0.00 SOLV O ATOM 22825 H1 TIP3 6932 43.156 51.657 51.301 1.00 0.00 SOLV H ATOM 22826 H2 TIP3 6932 42.275 50.488 51.639 1.00 0.00 SOLV H ATOM 22827 OH2 TIP3 6933 52.833 52.088 48.862 1.00 0.00 SOLV O ATOM 22828 H1 TIP3 6933 51.860 52.082 49.027 1.00 0.00 SOLV H ATOM 22829 H2 TIP3 6933 52.976 53.032 48.647 1.00 0.00 SOLV H ATOM 22830 OH2 TIP3 6934 53.084 40.144 50.412 1.00 0.00 SOLV O ATOM 22831 H1 TIP3 6934 52.420 40.644 49.912 1.00 0.00 SOLV H ATOM 22832 H2 TIP3 6934 53.930 40.482 50.053 1.00 0.00 SOLV H ATOM 22833 OH2 TIP3 6935 46.425 38.103 47.928 1.00 0.00 SOLV O ATOM 22834 H1 TIP3 6935 46.324 37.637 47.084 1.00 0.00 SOLV H ATOM 22835 H2 TIP3 6935 45.822 38.852 47.858 1.00 0.00 SOLV H ATOM 22836 OH2 TIP3 6936 50.907 53.670 45.114 1.00 0.00 SOLV O ATOM 22837 H1 TIP3 6936 51.337 52.807 44.922 1.00 0.00 SOLV H ATOM 22838 H2 TIP3 6936 51.697 54.256 45.074 1.00 0.00 SOLV H ATOM 22839 OH2 TIP3 6937 52.162 51.385 44.246 1.00 0.00 SOLV O ATOM 22840 H1 TIP3 6937 51.372 50.907 43.934 1.00 0.00 SOLV H ATOM 22841 H2 TIP3 6937 52.381 50.886 45.063 1.00 0.00 SOLV H ATOM 22842 OH2 TIP3 6938 53.914 50.042 52.460 1.00 0.00 SOLV O ATOM 22843 H1 TIP3 6938 53.818 49.445 51.687 1.00 0.00 SOLV H ATOM 22844 H2 TIP3 6938 53.990 50.918 52.026 1.00 0.00 SOLV H ATOM 22845 OH2 TIP3 6939 48.352 47.018 42.465 1.00 0.00 SOLV O ATOM 22846 H1 TIP3 6939 47.650 47.670 42.250 1.00 0.00 SOLV H ATOM 22847 H2 TIP3 6939 48.938 47.110 41.697 1.00 0.00 SOLV H ATOM 22848 OH2 TIP3 6940 48.432 45.660 38.927 1.00 0.00 SOLV O ATOM 22849 H1 TIP3 6940 49.061 45.835 39.649 1.00 0.00 SOLV H ATOM 22850 H2 TIP3 6940 48.545 44.712 38.765 1.00 0.00 SOLV H ATOM 22851 OH2 TIP3 6941 55.701 46.565 50.658 1.00 0.00 SOLV O ATOM 22852 H1 TIP3 6941 54.945 47.189 50.594 1.00 0.00 SOLV H ATOM 22853 H2 TIP3 6941 56.266 46.902 49.930 1.00 0.00 SOLV H ATOM 22854 OH2 TIP3 6942 51.943 47.197 43.113 1.00 0.00 SOLV O ATOM 22855 H1 TIP3 6942 51.219 47.430 43.744 1.00 0.00 SOLV H ATOM 22856 H2 TIP3 6942 52.583 46.790 43.729 1.00 0.00 SOLV H ATOM 22857 OH2 TIP3 6943 51.623 45.306 52.501 1.00 0.00 SOLV O ATOM 22858 H1 TIP3 6943 51.557 46.009 53.175 1.00 0.00 SOLV H ATOM 22859 H2 TIP3 6943 50.943 45.601 51.862 1.00 0.00 SOLV H ATOM 22860 OH2 TIP3 6944 43.488 47.884 45.376 1.00 0.00 SOLV O ATOM 22861 H1 TIP3 6944 42.982 47.394 44.714 1.00 0.00 SOLV H ATOM 22862 H2 TIP3 6944 44.049 47.176 45.763 1.00 0.00 SOLV H ATOM 22863 OH2 TIP3 6945 44.855 51.329 47.874 1.00 0.00 SOLV O ATOM 22864 H1 TIP3 6945 44.865 51.253 46.906 1.00 0.00 SOLV H ATOM 22865 H2 TIP3 6945 45.584 50.730 48.138 1.00 0.00 SOLV H ATOM 22866 OH2 TIP3 6946 43.623 46.645 48.845 1.00 0.00 SOLV O ATOM 22867 H1 TIP3 6946 44.170 46.453 48.054 1.00 0.00 SOLV H ATOM 22868 H2 TIP3 6946 44.136 47.346 49.300 1.00 0.00 SOLV H ATOM 22869 OH2 TIP3 6947 50.224 52.186 49.507 1.00 0.00 SOLV O ATOM 22870 H1 TIP3 6947 50.041 52.878 50.167 1.00 0.00 SOLV H ATOM 22871 H2 TIP3 6947 49.770 51.402 49.879 1.00 0.00 SOLV H ATOM 22872 OH2 TIP3 6948 44.932 51.072 53.556 1.00 0.00 SOLV O ATOM 22873 H1 TIP3 6948 44.287 51.683 53.976 1.00 0.00 SOLV H ATOM 22874 H2 TIP3 6948 44.399 50.772 52.789 1.00 0.00 SOLV H ATOM 22875 OH2 TIP3 6949 50.595 46.450 40.797 1.00 0.00 SOLV O ATOM 22876 H1 TIP3 6949 51.081 46.844 41.557 1.00 0.00 SOLV H ATOM 22877 H2 TIP3 6949 51.179 46.717 40.048 1.00 0.00 SOLV H ATOM 22878 OH2 TIP3 6950 41.827 47.198 52.838 1.00 0.00 SOLV O ATOM 22879 H1 TIP3 6950 41.803 47.914 53.499 1.00 0.00 SOLV H ATOM 22880 H2 TIP3 6950 40.881 46.988 52.754 1.00 0.00 SOLV H ATOM 22881 OH2 TIP3 6951 48.421 52.886 44.376 1.00 0.00 SOLV O ATOM 22882 H1 TIP3 6951 49.285 53.245 44.666 1.00 0.00 SOLV H ATOM 22883 H2 TIP3 6951 48.018 53.645 43.938 1.00 0.00 SOLV H ATOM 22884 OH2 TIP3 6952 42.922 52.851 54.261 1.00 0.00 SOLV O ATOM 22885 H1 TIP3 6952 42.874 53.187 53.345 1.00 0.00 SOLV H ATOM 22886 H2 TIP3 6952 41.973 52.740 54.492 1.00 0.00 SOLV H ATOM 22887 OH2 TIP3 6953 55.568 52.470 39.179 1.00 0.00 SOLV O ATOM 22888 H1 TIP3 6953 55.799 53.416 39.300 1.00 0.00 SOLV H ATOM 22889 H2 TIP3 6953 56.456 52.054 39.179 1.00 0.00 SOLV H ATOM 22890 OH2 TIP3 6954 37.838 49.355 52.115 1.00 0.00 SOLV O ATOM 22891 H1 TIP3 6954 37.866 49.380 51.142 1.00 0.00 SOLV H ATOM 22892 H2 TIP3 6954 38.198 48.462 52.312 1.00 0.00 SOLV H ATOM 22893 OH2 TIP3 6955 38.201 52.060 48.495 1.00 0.00 SOLV O ATOM 22894 H1 TIP3 6955 39.163 51.969 48.542 1.00 0.00 SOLV H ATOM 22895 H2 TIP3 6955 38.057 52.895 48.970 1.00 0.00 SOLV H ATOM 22896 OH2 TIP3 6956 56.506 52.900 54.371 1.00 0.00 SOLV O ATOM 22897 H1 TIP3 6956 56.335 51.940 54.306 1.00 0.00 SOLV H ATOM 22898 H2 TIP3 6956 55.618 53.212 54.661 1.00 0.00 SOLV H ATOM 22899 OH2 TIP3 6957 47.326 52.232 52.956 1.00 0.00 SOLV O ATOM 22900 H1 TIP3 6957 47.298 53.078 53.454 1.00 0.00 SOLV H ATOM 22901 H2 TIP3 6957 46.449 51.853 53.193 1.00 0.00 SOLV H ATOM 22902 OH2 TIP3 6958 48.196 55.908 42.844 1.00 0.00 SOLV O ATOM 22903 H1 TIP3 6958 47.855 55.984 41.937 1.00 0.00 SOLV H ATOM 22904 H2 TIP3 6958 47.849 56.719 43.261 1.00 0.00 SOLV H ATOM 22905 OH2 TIP3 6959 41.599 54.868 44.843 1.00 0.00 SOLV O ATOM 22906 H1 TIP3 6959 41.719 54.474 45.733 1.00 0.00 SOLV H ATOM 22907 H2 TIP3 6959 41.081 54.157 44.395 1.00 0.00 SOLV H ATOM 22908 OH2 TIP3 6960 50.885 55.338 39.628 1.00 0.00 SOLV O ATOM 22909 H1 TIP3 6960 51.427 54.599 39.275 1.00 0.00 SOLV H ATOM 22910 H2 TIP3 6960 50.980 55.204 40.596 1.00 0.00 SOLV H ATOM 22911 OH2 TIP3 6961 50.764 55.181 42.396 1.00 0.00 SOLV O ATOM 22912 H1 TIP3 6961 49.816 55.368 42.588 1.00 0.00 SOLV H ATOM 22913 H2 TIP3 6961 50.986 54.598 43.140 1.00 0.00 SOLV H ATOM 22914 OH2 TIP3 6962 53.514 44.123 54.668 1.00 0.00 SOLV O ATOM 22915 H1 TIP3 6962 52.846 44.496 54.072 1.00 0.00 SOLV H ATOM 22916 H2 TIP3 6962 53.623 43.227 54.280 1.00 0.00 SOLV H ATOM 22917 OH2 TIP3 6963 40.522 50.630 52.359 1.00 0.00 SOLV O ATOM 22918 H1 TIP3 6963 40.874 50.295 53.210 1.00 0.00 SOLV H ATOM 22919 H2 TIP3 6963 39.627 50.251 52.359 1.00 0.00 SOLV H ATOM 22920 OH2 TIP3 6964 48.265 38.575 51.987 1.00 0.00 SOLV O ATOM 22921 H1 TIP3 6964 48.661 38.171 52.779 1.00 0.00 SOLV H ATOM 22922 H2 TIP3 6964 47.306 38.565 52.182 1.00 0.00 SOLV H ATOM 22923 OH2 TIP3 6965 51.022 42.592 52.662 1.00 0.00 SOLV O ATOM 22924 H1 TIP3 6965 50.358 42.499 53.386 1.00 0.00 SOLV H ATOM 22925 H2 TIP3 6965 51.090 43.562 52.564 1.00 0.00 SOLV H ATOM 22926 OH2 TIP3 6966 52.276 46.829 38.671 1.00 0.00 SOLV O ATOM 22927 H1 TIP3 6966 52.006 47.020 37.748 1.00 0.00 SOLV H ATOM 22928 H2 TIP3 6966 53.067 47.398 38.741 1.00 0.00 SOLV H ATOM 22929 OH2 TIP3 6967 43.381 44.123 49.887 1.00 0.00 SOLV O ATOM 22930 H1 TIP3 6967 42.749 44.221 50.632 1.00 0.00 SOLV H ATOM 22931 H2 TIP3 6967 43.423 45.048 49.554 1.00 0.00 SOLV H ATOM 22932 OH2 TIP3 6968 43.506 44.053 44.826 1.00 0.00 SOLV O ATOM 22933 H1 TIP3 6968 42.674 43.752 44.415 1.00 0.00 SOLV H ATOM 22934 H2 TIP3 6968 44.031 44.180 43.996 1.00 0.00 SOLV H ATOM 22935 OH2 TIP3 6969 49.143 44.653 43.603 1.00 0.00 SOLV O ATOM 22936 H1 TIP3 6969 48.791 45.505 43.260 1.00 0.00 SOLV H ATOM 22937 H2 TIP3 6969 49.349 44.178 42.790 1.00 0.00 SOLV H ATOM 22938 OH2 TIP3 6970 48.112 44.785 54.777 1.00 0.00 SOLV O ATOM 22939 H1 TIP3 6970 47.626 44.025 55.169 1.00 0.00 SOLV H ATOM 22940 H2 TIP3 6970 48.967 44.693 55.237 1.00 0.00 SOLV H ATOM 22941 OH2 TIP3 6971 49.840 44.048 46.192 1.00 0.00 SOLV O ATOM 22942 H1 TIP3 6971 49.504 44.526 45.403 1.00 0.00 SOLV H ATOM 22943 H2 TIP3 6971 50.163 43.243 45.729 1.00 0.00 SOLV H ATOM 22944 OH2 TIP3 6972 41.293 44.220 51.756 1.00 0.00 SOLV O ATOM 22945 H1 TIP3 6972 41.511 44.411 52.689 1.00 0.00 SOLV H ATOM 22946 H2 TIP3 6972 40.865 43.349 51.868 1.00 0.00 SOLV H ATOM 22947 OH2 TIP3 6973 49.255 45.586 50.727 1.00 0.00 SOLV O ATOM 22948 H1 TIP3 6973 49.637 44.966 50.062 1.00 0.00 SOLV H ATOM 22949 H2 TIP3 6973 48.645 44.975 51.197 1.00 0.00 SOLV H ATOM 22950 OH2 TIP3 6974 46.194 41.888 45.669 1.00 0.00 SOLV O ATOM 22951 H1 TIP3 6974 45.265 41.695 45.858 1.00 0.00 SOLV H ATOM 22952 H2 TIP3 6974 46.676 41.512 46.416 1.00 0.00 SOLV H ATOM 22953 OH2 TIP3 6975 44.553 44.076 42.379 1.00 0.00 SOLV O ATOM 22954 H1 TIP3 6975 45.332 43.502 42.308 1.00 0.00 SOLV H ATOM 22955 H2 TIP3 6975 43.937 43.712 41.714 1.00 0.00 SOLV H ATOM 22956 OH2 TIP3 6976 50.562 41.157 48.885 1.00 0.00 SOLV O ATOM 22957 H1 TIP3 6976 50.101 41.133 49.757 1.00 0.00 SOLV H ATOM 22958 H2 TIP3 6976 49.822 40.841 48.326 1.00 0.00 SOLV H ATOM 22959 OH2 TIP3 6977 43.220 44.767 39.640 1.00 0.00 SOLV O ATOM 22960 H1 TIP3 6977 43.024 44.297 38.799 1.00 0.00 SOLV H ATOM 22961 H2 TIP3 6977 44.147 45.011 39.483 1.00 0.00 SOLV H ATOM 22962 OH2 TIP3 6978 53.855 56.576 55.432 1.00 0.00 SOLV O ATOM 22963 H1 TIP3 6978 54.100 57.030 54.608 1.00 0.00 SOLV H ATOM 22964 H2 TIP3 6978 54.602 56.814 56.016 1.00 0.00 SOLV H ATOM 22965 OH2 TIP3 6979 41.507 49.375 54.711 1.00 0.00 SOLV O ATOM 22966 H1 TIP3 6979 42.184 49.317 55.413 1.00 0.00 SOLV H ATOM 22967 H2 TIP3 6979 40.695 49.290 55.242 1.00 0.00 SOLV H ATOM 22968 OH2 TIP3 6980 47.171 44.637 47.613 1.00 0.00 SOLV O ATOM 22969 H1 TIP3 6980 47.862 44.123 47.170 1.00 0.00 SOLV H ATOM 22970 H2 TIP3 6980 46.854 44.023 48.304 1.00 0.00 SOLV H ATOM 22971 OH2 TIP3 6981 45.997 43.192 49.949 1.00 0.00 SOLV O ATOM 22972 H1 TIP3 6981 45.142 43.665 50.026 1.00 0.00 SOLV H ATOM 22973 H2 TIP3 6981 46.497 43.534 50.718 1.00 0.00 SOLV H ATOM 22974 OH2 TIP3 6982 46.553 49.006 41.760 1.00 0.00 SOLV O ATOM 22975 H1 TIP3 6982 45.843 48.486 41.309 1.00 0.00 SOLV H ATOM 22976 H2 TIP3 6982 46.097 49.222 42.611 1.00 0.00 SOLV H ATOM 22977 OH2 TIP3 6983 53.668 48.392 50.241 1.00 0.00 SOLV O ATOM 22978 H1 TIP3 6983 54.178 49.007 49.677 1.00 0.00 SOLV H ATOM 22979 H2 TIP3 6983 52.883 48.199 49.681 1.00 0.00 SOLV H ATOM 22980 OH2 TIP3 6984 48.017 49.428 52.828 1.00 0.00 SOLV O ATOM 22981 H1 TIP3 6984 48.096 49.034 53.706 1.00 0.00 SOLV H ATOM 22982 H2 TIP3 6984 47.752 50.343 53.024 1.00 0.00 SOLV H ATOM 22983 OH2 TIP3 6985 51.252 43.822 41.184 1.00 0.00 SOLV O ATOM 22984 H1 TIP3 6985 51.644 43.762 42.068 1.00 0.00 SOLV H ATOM 22985 H2 TIP3 6985 50.970 44.758 41.139 1.00 0.00 SOLV H ATOM 22986 OH2 TIP3 6986 41.803 48.575 47.502 1.00 0.00 SOLV O ATOM 22987 H1 TIP3 6986 42.288 48.411 46.671 1.00 0.00 SOLV H ATOM 22988 H2 TIP3 6986 42.067 47.806 48.031 1.00 0.00 SOLV H ATOM 22989 OH2 TIP3 6987 48.571 50.526 40.782 1.00 0.00 SOLV O ATOM 22990 H1 TIP3 6987 48.207 51.440 40.868 1.00 0.00 SOLV H ATOM 22991 H2 TIP3 6987 47.805 49.988 41.085 1.00 0.00 SOLV H ATOM 22992 OH2 TIP3 6988 38.897 46.892 52.896 1.00 0.00 SOLV O ATOM 22993 H1 TIP3 6988 39.126 46.812 53.847 1.00 0.00 SOLV H ATOM 22994 H2 TIP3 6988 38.302 46.135 52.806 1.00 0.00 SOLV H ATOM 22995 OH2 TIP3 6989 45.876 46.507 54.925 1.00 0.00 SOLV O ATOM 22996 H1 TIP3 6989 45.217 46.064 54.351 1.00 0.00 SOLV H ATOM 22997 H2 TIP3 6989 46.691 46.013 54.700 1.00 0.00 SOLV H ATOM 22998 OH2 TIP3 6990 50.154 51.857 52.845 1.00 0.00 SOLV O ATOM 22999 H1 TIP3 6990 49.192 51.983 52.747 1.00 0.00 SOLV H ATOM 23000 H2 TIP3 6990 50.276 52.136 53.778 1.00 0.00 SOLV H ATOM 23001 OH2 TIP3 6991 56.142 50.041 54.044 1.00 0.00 SOLV O ATOM 23002 H1 TIP3 6991 55.220 50.145 53.718 1.00 0.00 SOLV H ATOM 23003 H2 TIP3 6991 56.597 49.845 53.195 1.00 0.00 SOLV H ATOM 23004 OH2 TIP3 6992 54.378 52.816 41.796 1.00 0.00 SOLV O ATOM 23005 H1 TIP3 6992 53.738 52.192 42.171 1.00 0.00 SOLV H ATOM 23006 H2 TIP3 6992 54.546 52.456 40.909 1.00 0.00 SOLV H ATOM 23007 OH2 TIP3 6993 51.511 47.743 48.529 1.00 0.00 SOLV O ATOM 23008 H1 TIP3 6993 50.544 47.643 48.433 1.00 0.00 SOLV H ATOM 23009 H2 TIP3 6993 51.817 46.950 48.046 1.00 0.00 SOLV H ATOM 23010 OH2 TIP3 6994 44.182 52.043 44.881 1.00 0.00 SOLV O ATOM 23011 H1 TIP3 6994 44.353 52.937 44.522 1.00 0.00 SOLV H ATOM 23012 H2 TIP3 6994 43.227 51.973 44.761 1.00 0.00 SOLV H ATOM 23013 OH2 TIP3 6995 45.228 49.622 44.023 1.00 0.00 SOLV O ATOM 23014 H1 TIP3 6995 44.971 50.506 44.352 1.00 0.00 SOLV H ATOM 23015 H2 TIP3 6995 44.649 49.040 44.553 1.00 0.00 SOLV H ATOM 23016 OH2 TIP3 6996 45.993 53.843 50.714 1.00 0.00 SOLV O ATOM 23017 H1 TIP3 6996 46.633 54.559 50.513 1.00 0.00 SOLV H ATOM 23018 H2 TIP3 6996 46.546 53.237 51.233 1.00 0.00 SOLV H ATOM 23019 OH2 TIP3 6997 44.141 54.754 43.826 1.00 0.00 SOLV O ATOM 23020 H1 TIP3 6997 43.213 54.915 44.105 1.00 0.00 SOLV H ATOM 23021 H2 TIP3 6997 44.567 55.580 44.149 1.00 0.00 SOLV H ATOM 23022 OH2 TIP3 6998 49.184 49.730 50.394 1.00 0.00 SOLV O ATOM 23023 H1 TIP3 6998 48.788 49.570 51.282 1.00 0.00 SOLV H ATOM 23024 H2 TIP3 6998 49.872 49.052 50.374 1.00 0.00 SOLV H ATOM 23025 OH2 TIP3 6999 51.941 50.923 39.570 1.00 0.00 SOLV O ATOM 23026 H1 TIP3 6999 52.208 50.379 40.350 1.00 0.00 SOLV H ATOM 23027 H2 TIP3 6999 50.987 50.741 39.536 1.00 0.00 SOLV H ATOM 23028 OH2 TIP3 7000 52.186 54.175 52.665 1.00 0.00 SOLV O ATOM 23029 H1 TIP3 7000 51.345 53.794 52.341 1.00 0.00 SOLV H ATOM 23030 H2 TIP3 7000 52.271 54.964 52.086 1.00 0.00 SOLV H ATOM 23031 OH2 TIP3 7001 56.249 55.119 39.714 1.00 0.00 SOLV O ATOM 23032 H1 TIP3 7001 56.704 55.916 39.398 1.00 0.00 SOLV H ATOM 23033 H2 TIP3 7001 55.422 55.536 40.037 1.00 0.00 SOLV H ATOM 23034 OH2 TIP3 7002 40.153 41.554 52.080 1.00 0.00 SOLV O ATOM 23035 H1 TIP3 7002 39.204 41.764 52.114 1.00 0.00 SOLV H ATOM 23036 H2 TIP3 7002 40.280 41.054 52.904 1.00 0.00 SOLV H ATOM 23037 OH2 TIP3 7003 52.886 49.336 41.581 1.00 0.00 SOLV O ATOM 23038 H1 TIP3 7003 52.459 48.728 42.215 1.00 0.00 SOLV H ATOM 23039 H2 TIP3 7003 53.827 49.176 41.792 1.00 0.00 SOLV H ATOM 23040 OH2 TIP3 7004 40.045 53.341 50.521 1.00 0.00 SOLV O ATOM 23041 H1 TIP3 7004 40.345 52.493 50.891 1.00 0.00 SOLV H ATOM 23042 H2 TIP3 7004 40.272 53.960 51.228 1.00 0.00 SOLV H ATOM 23043 OH2 TIP3 7005 45.848 51.857 37.997 1.00 0.00 SOLV O ATOM 23044 H1 TIP3 7005 45.820 50.969 37.590 1.00 0.00 SOLV H ATOM 23045 H2 TIP3 7005 45.360 51.692 38.831 1.00 0.00 SOLV H ATOM 23046 OH2 TIP3 7006 44.570 51.582 40.405 1.00 0.00 SOLV O ATOM 23047 H1 TIP3 7006 44.967 51.001 41.067 1.00 0.00 SOLV H ATOM 23048 H2 TIP3 7006 44.704 52.473 40.801 1.00 0.00 SOLV H ATOM 23049 OH2 TIP3 7007 41.984 48.752 40.784 1.00 0.00 SOLV O ATOM 23050 H1 TIP3 7007 41.669 48.815 41.691 1.00 0.00 SOLV H ATOM 23051 H2 TIP3 7007 41.772 49.632 40.420 1.00 0.00 SOLV H ATOM 23052 OH2 TIP3 7008 49.193 41.114 51.212 1.00 0.00 SOLV O ATOM 23053 H1 TIP3 7008 49.862 41.426 51.852 1.00 0.00 SOLV H ATOM 23054 H2 TIP3 7008 48.897 40.262 51.590 1.00 0.00 SOLV H ATOM 23055 OH2 TIP3 7009 47.573 53.021 41.070 1.00 0.00 SOLV O ATOM 23056 H1 TIP3 7009 46.647 53.279 41.253 1.00 0.00 SOLV H ATOM 23057 H2 TIP3 7009 47.919 53.874 40.761 1.00 0.00 SOLV H ATOM 23058 OH2 TIP3 7010 47.009 42.800 43.210 1.00 0.00 SOLV O ATOM 23059 H1 TIP3 7010 47.650 43.431 43.568 1.00 0.00 SOLV H ATOM 23060 H2 TIP3 7010 46.685 42.379 44.035 1.00 0.00 SOLV H ATOM 23061 OH2 TIP3 7011 47.762 43.795 52.133 1.00 0.00 SOLV O ATOM 23062 H1 TIP3 7011 47.794 44.115 53.058 1.00 0.00 SOLV H ATOM 23063 H2 TIP3 7011 48.024 42.867 52.229 1.00 0.00 SOLV H ATOM 23064 OH2 TIP3 7012 45.079 54.079 41.361 1.00 0.00 SOLV O ATOM 23065 H1 TIP3 7012 45.025 54.936 40.883 1.00 0.00 SOLV H ATOM 23066 H2 TIP3 7012 44.705 54.332 42.237 1.00 0.00 SOLV H ATOM 23067 OH2 TIP3 7013 53.593 41.861 53.087 1.00 0.00 SOLV O ATOM 23068 H1 TIP3 7013 52.649 42.005 52.870 1.00 0.00 SOLV H ATOM 23069 H2 TIP3 7013 53.774 41.049 52.592 1.00 0.00 SOLV H ATOM 23070 OH2 TIP3 7014 52.268 45.382 47.155 1.00 0.00 SOLV O ATOM 23071 H1 TIP3 7014 51.394 44.980 46.992 1.00 0.00 SOLV H ATOM 23072 H2 TIP3 7014 52.704 44.695 47.702 1.00 0.00 SOLV H ATOM 23073 OH2 TIP3 7015 41.940 51.260 39.496 1.00 0.00 SOLV O ATOM 23074 H1 TIP3 7015 42.765 51.598 39.889 1.00 0.00 SOLV H ATOM 23075 H2 TIP3 7015 42.315 50.670 38.812 1.00 0.00 SOLV H ATOM 23076 OH2 TIP3 7016 39.735 44.483 39.140 1.00 0.00 SOLV O ATOM 23077 H1 TIP3 7016 40.625 44.347 39.471 1.00 0.00 SOLV H ATOM 23078 H2 TIP3 7016 39.296 43.649 39.356 1.00 0.00 SOLV H ATOM 23079 OH2 TIP3 7017 53.504 54.811 48.817 1.00 0.00 SOLV O ATOM 23080 H1 TIP3 7017 53.362 55.484 48.112 1.00 0.00 SOLV H ATOM 23081 H2 TIP3 7017 54.483 54.830 48.890 1.00 0.00 SOLV H ATOM 23082 OH2 TIP3 7018 40.062 52.996 43.619 1.00 0.00 SOLV O ATOM 23083 H1 TIP3 7018 39.216 52.850 44.055 1.00 0.00 SOLV H ATOM 23084 H2 TIP3 7018 39.793 53.457 42.789 1.00 0.00 SOLV H ATOM 23085 OH2 TIP3 7019 39.250 55.675 55.302 1.00 0.00 SOLV O ATOM 23086 H1 TIP3 7019 39.934 55.433 55.971 1.00 0.00 SOLV H ATOM 23087 H2 TIP3 7019 38.973 54.795 55.003 1.00 0.00 SOLV H ATOM 23088 OH2 TIP3 7020 43.431 54.032 56.693 1.00 0.00 SOLV O ATOM 23089 H1 TIP3 7020 44.333 53.782 56.934 1.00 0.00 SOLV H ATOM 23090 H2 TIP3 7020 43.335 53.586 55.825 1.00 0.00 SOLV H ATOM 23091 OH2 TIP3 7021 47.885 53.680 37.936 1.00 0.00 SOLV O ATOM 23092 H1 TIP3 7021 47.164 53.010 38.015 1.00 0.00 SOLV H ATOM 23093 H2 TIP3 7021 48.632 53.115 37.667 1.00 0.00 SOLV H ATOM 23094 OH2 TIP3 7022 50.217 52.539 55.497 1.00 0.00 SOLV O ATOM 23095 H1 TIP3 7022 49.916 51.739 55.987 1.00 0.00 SOLV H ATOM 23096 H2 TIP3 7022 50.940 52.861 56.071 1.00 0.00 SOLV H ATOM 23097 OH2 TIP3 7023 52.312 53.339 38.340 1.00 0.00 SOLV O ATOM 23098 H1 TIP3 7023 52.307 52.493 38.838 1.00 0.00 SOLV H ATOM 23099 H2 TIP3 7023 53.092 53.246 37.767 1.00 0.00 SOLV H ATOM 23100 OH2 TIP3 7024 39.021 49.207 56.059 1.00 0.00 SOLV O ATOM 23101 H1 TIP3 7024 39.272 48.262 55.961 1.00 0.00 SOLV H ATOM 23102 H2 TIP3 7024 38.165 49.214 55.612 1.00 0.00 SOLV H ATOM 23103 OH2 TIP3 7025 43.229 49.308 38.176 1.00 0.00 SOLV O ATOM 23104 H1 TIP3 7025 43.382 48.856 39.025 1.00 0.00 SOLV H ATOM 23105 H2 TIP3 7025 44.111 49.261 37.759 1.00 0.00 SOLV H ATOM 23106 OH2 TIP3 7026 45.540 49.296 55.561 1.00 0.00 SOLV O ATOM 23107 H1 TIP3 7026 45.404 49.775 54.715 1.00 0.00 SOLV H ATOM 23108 H2 TIP3 7026 45.713 48.379 55.260 1.00 0.00 SOLV H ATOM 23109 OH2 TIP3 7027 49.158 50.516 38.105 1.00 0.00 SOLV O ATOM 23110 H1 TIP3 7027 48.807 50.462 39.019 1.00 0.00 SOLV H ATOM 23111 H2 TIP3 7027 48.926 49.625 37.764 1.00 0.00 SOLV H ATOM 23112 OH2 TIP3 7028 51.318 49.276 53.093 1.00 0.00 SOLV O ATOM 23113 H1 TIP3 7028 52.230 49.593 52.954 1.00 0.00 SOLV H ATOM 23114 H2 TIP3 7028 50.810 50.091 52.908 1.00 0.00 SOLV H ATOM 23115 OH2 TIP3 7029 39.916 46.682 55.502 1.00 0.00 SOLV O ATOM 23116 H1 TIP3 7029 40.347 45.833 55.242 1.00 0.00 SOLV H ATOM 23117 H2 TIP3 7029 39.997 46.593 56.473 1.00 0.00 SOLV H ATOM 23118 OH2 TIP3 7030 44.662 47.537 40.533 1.00 0.00 SOLV O ATOM 23119 H1 TIP3 7030 43.734 47.290 40.684 1.00 0.00 SOLV H ATOM 23120 H2 TIP3 7030 44.981 46.796 39.982 1.00 0.00 SOLV H ATOM 23121 OH2 TIP3 7031 43.952 45.401 53.028 1.00 0.00 SOLV O ATOM 23122 H1 TIP3 7031 43.223 46.039 52.855 1.00 0.00 SOLV H ATOM 23123 H2 TIP3 7031 44.643 45.713 52.405 1.00 0.00 SOLV H ATOM 23124 OH2 TIP3 7032 45.657 45.736 38.721 1.00 0.00 SOLV O ATOM 23125 H1 TIP3 7032 45.616 46.026 37.785 1.00 0.00 SOLV H ATOM 23126 H2 TIP3 7032 46.623 45.674 38.847 1.00 0.00 SOLV H ATOM 23127 OH2 TIP3 7033 48.978 47.930 56.270 1.00 0.00 SOLV O ATOM 23128 H1 TIP3 7033 49.721 47.467 55.863 1.00 0.00 SOLV H ATOM 23129 H2 TIP3 7033 48.559 47.217 56.788 1.00 0.00 SOLV H ATOM 23130 OH2 TIP3 7034 54.746 48.001 38.228 1.00 0.00 SOLV O ATOM 23131 H1 TIP3 7034 54.724 47.807 37.268 1.00 0.00 SOLV H ATOM 23132 H2 TIP3 7034 54.574 48.973 38.193 1.00 0.00 SOLV H ATOM 23133 OH2 TIP3 7035 44.687 42.726 53.790 1.00 0.00 SOLV O ATOM 23134 H1 TIP3 7035 44.423 42.167 53.045 1.00 0.00 SOLV H ATOM 23135 H2 TIP3 7035 44.165 43.541 53.642 1.00 0.00 SOLV H ATOM 23136 OH2 TIP3 7036 44.633 41.016 51.292 1.00 0.00 SOLV O ATOM 23137 H1 TIP3 7036 45.094 41.690 50.759 1.00 0.00 SOLV H ATOM 23138 H2 TIP3 7036 43.734 41.005 50.895 1.00 0.00 SOLV H ATOM 23139 OH2 TIP3 7037 45.933 46.462 51.539 1.00 0.00 SOLV O ATOM 23140 H1 TIP3 7037 46.884 46.616 51.519 1.00 0.00 SOLV H ATOM 23141 H2 TIP3 7037 45.577 47.289 51.151 1.00 0.00 SOLV H ATOM 23142 OH2 TIP3 7038 50.367 44.244 56.467 1.00 0.00 SOLV O ATOM 23143 H1 TIP3 7038 50.613 43.306 56.512 1.00 0.00 SOLV H ATOM 23144 H2 TIP3 7038 51.232 44.673 56.390 1.00 0.00 SOLV H ATOM 23145 OH2 TIP3 7039 51.818 47.169 54.722 1.00 0.00 SOLV O ATOM 23146 H1 TIP3 7039 51.511 47.944 54.194 1.00 0.00 SOLV H ATOM 23147 H2 TIP3 7039 52.791 47.285 54.641 1.00 0.00 SOLV H ATOM 23148 OH2 TIP3 7040 45.406 38.524 52.045 1.00 0.00 SOLV O ATOM 23149 H1 TIP3 7040 45.218 39.463 51.806 1.00 0.00 SOLV H ATOM 23150 H2 TIP3 7040 44.544 38.125 51.886 1.00 0.00 SOLV H ATOM 23151 OH2 TIP3 7041 46.732 42.563 55.532 1.00 0.00 SOLV O ATOM 23152 H1 TIP3 7041 46.160 42.304 56.280 1.00 0.00 SOLV H ATOM 23153 H2 TIP3 7041 46.035 42.586 54.832 1.00 0.00 SOLV H ATOM 23154 OH2 TIP3 7042 49.209 41.939 54.523 1.00 0.00 SOLV O ATOM 23155 H1 TIP3 7042 48.344 42.012 54.982 1.00 0.00 SOLV H ATOM 23156 H2 TIP3 7042 49.739 41.427 55.169 1.00 0.00 SOLV H ATOM 23157 OH2 TIP3 7043 50.945 40.769 56.345 1.00 0.00 SOLV O ATOM 23158 H1 TIP3 7043 51.004 39.792 56.245 1.00 0.00 SOLV H ATOM 23159 H2 TIP3 7043 50.725 40.852 57.295 1.00 0.00 SOLV H ATOM 23160 OH2 TIP3 7044 45.579 37.858 54.696 1.00 0.00 SOLV O ATOM 23161 H1 TIP3 7044 46.157 37.073 54.627 1.00 0.00 SOLV H ATOM 23162 H2 TIP3 7044 45.509 38.120 53.758 1.00 0.00 SOLV H ATOM 23163 OH2 TIP3 7045 46.062 39.522 56.800 1.00 0.00 SOLV O ATOM 23164 H1 TIP3 7045 45.923 38.970 55.998 1.00 0.00 SOLV H ATOM 23165 H2 TIP3 7045 45.400 40.234 56.668 1.00 0.00 SOLV H ATOM 23166 OH2 TIP3 7046 45.557 56.465 40.002 1.00 0.00 SOLV O ATOM 23167 H1 TIP3 7046 46.486 56.171 39.949 1.00 0.00 SOLV H ATOM 23168 H2 TIP3 7046 45.566 57.171 39.329 1.00 0.00 SOLV H ATOM 23169 OH2 TIP3 7047 38.056 56.349 44.472 1.00 0.00 SOLV O ATOM 23170 H1 TIP3 7047 37.474 55.971 43.776 1.00 0.00 SOLV H ATOM 23171 H2 TIP3 7047 38.209 55.555 45.028 1.00 0.00 SOLV H ATOM 23172 OH2 TIP3 7048 38.493 54.268 46.222 1.00 0.00 SOLV O ATOM 23173 H1 TIP3 7048 38.065 53.512 46.649 1.00 0.00 SOLV H ATOM 23174 H2 TIP3 7048 39.017 54.638 46.954 1.00 0.00 SOLV H ATOM 23175 OH2 TIP3 7049 56.185 55.064 49.345 1.00 0.00 SOLV O ATOM 23176 H1 TIP3 7049 56.154 55.151 50.317 1.00 0.00 SOLV H ATOM 23177 H2 TIP3 7049 56.984 55.560 49.118 1.00 0.00 SOLV H ATOM 23178 OH2 TIP3 7050 55.646 54.739 52.091 1.00 0.00 SOLV O ATOM 23179 H1 TIP3 7050 55.082 54.011 51.749 1.00 0.00 SOLV H ATOM 23180 H2 TIP3 7050 56.129 54.254 52.782 1.00 0.00 SOLV H ATOM 23181 OH2 TIP3 7051 54.114 50.488 56.832 1.00 0.00 SOLV O ATOM 23182 H1 TIP3 7051 53.279 50.597 57.331 1.00 0.00 SOLV H ATOM 23183 H2 TIP3 7051 54.645 51.231 57.185 1.00 0.00 SOLV H ATOM 23184 OH2 TIP3 7052 55.559 48.651 42.128 1.00 0.00 SOLV O ATOM 23185 H1 TIP3 7052 56.291 49.295 42.188 1.00 0.00 SOLV H ATOM 23186 H2 TIP3 7052 55.712 48.104 42.927 1.00 0.00 SOLV H ATOM 23187 OH2 TIP3 7053 56.007 46.750 44.093 1.00 0.00 SOLV O ATOM 23188 H1 TIP3 7053 55.134 46.468 44.448 1.00 0.00 SOLV H ATOM 23189 H2 TIP3 7053 56.533 46.877 44.911 1.00 0.00 SOLV H ATOM 23190 OH2 TIP3 7054 55.908 49.776 49.283 1.00 0.00 SOLV O ATOM 23191 H1 TIP3 7054 56.425 49.069 48.844 1.00 0.00 SOLV H ATOM 23192 H2 TIP3 7054 56.163 50.569 48.773 1.00 0.00 SOLV H ATOM 23193 OH2 TIP3 7055 54.043 52.588 51.339 1.00 0.00 SOLV O ATOM 23194 H1 TIP3 7055 53.276 53.024 51.761 1.00 0.00 SOLV H ATOM 23195 H2 TIP3 7055 53.704 52.404 50.436 1.00 0.00 SOLV H ATOM 23196 OH2 TIP3 7056 56.042 46.699 40.183 1.00 0.00 SOLV O ATOM 23197 H1 TIP3 7056 55.618 47.206 39.452 1.00 0.00 SOLV H ATOM 23198 H2 TIP3 7056 55.815 47.288 40.933 1.00 0.00 SOLV H ATOM 23199 OH2 TIP3 7057 53.565 45.631 44.783 1.00 0.00 SOLV O ATOM 23200 H1 TIP3 7057 53.224 44.769 44.493 1.00 0.00 SOLV H ATOM 23201 H2 TIP3 7057 53.172 45.686 45.685 1.00 0.00 SOLV H ATOM 23202 OH2 TIP3 7058 38.566 47.452 48.691 1.00 0.00 SOLV O ATOM 23203 H1 TIP3 7058 38.885 47.289 47.789 1.00 0.00 SOLV H ATOM 23204 H2 TIP3 7058 39.369 47.161 49.188 1.00 0.00 SOLV H ATOM 23205 OH2 TIP3 7059 54.564 47.503 54.524 1.00 0.00 SOLV O ATOM 23206 H1 TIP3 7059 55.157 46.733 54.377 1.00 0.00 SOLV H ATOM 23207 H2 TIP3 7059 55.052 48.226 54.102 1.00 0.00 SOLV H ATOM 23208 OH2 TIP3 7060 56.022 45.208 54.351 1.00 0.00 SOLV O ATOM 23209 H1 TIP3 7060 55.148 44.789 54.501 1.00 0.00 SOLV H ATOM 23210 H2 TIP3 7060 56.605 44.459 54.617 1.00 0.00 SOLV H ATOM 23211 OH2 TIP3 7061 53.226 43.123 43.378 1.00 0.00 SOLV O ATOM 23212 H1 TIP3 7061 53.681 42.418 43.862 1.00 0.00 SOLV H ATOM 23213 H2 TIP3 7061 53.914 43.456 42.789 1.00 0.00 SOLV H ATOM 23214 OH2 TIP3 7062 53.799 43.445 48.460 1.00 0.00 SOLV O ATOM 23215 H1 TIP3 7062 54.761 43.594 48.324 1.00 0.00 SOLV H ATOM 23216 H2 TIP3 7062 53.753 43.606 49.426 1.00 0.00 SOLV H ATOM 23217 OH2 TIP3 7063 54.117 44.335 51.073 1.00 0.00 SOLV O ATOM 23218 H1 TIP3 7063 53.313 44.655 51.520 1.00 0.00 SOLV H ATOM 23219 H2 TIP3 7063 54.651 45.153 51.000 1.00 0.00 SOLV H ATOM 23220 OH2 TIP3 7064 38.193 43.004 54.445 1.00 0.00 SOLV O ATOM 23221 H1 TIP3 7064 39.112 43.272 54.696 1.00 0.00 SOLV H ATOM 23222 H2 TIP3 7064 38.153 42.116 54.839 1.00 0.00 SOLV H ATOM 23223 OH2 TIP3 7065 39.144 41.217 48.220 1.00 0.00 SOLV O ATOM 23224 H1 TIP3 7065 39.671 40.508 47.850 1.00 0.00 SOLV H ATOM 23225 H2 TIP3 7065 39.736 41.978 48.108 1.00 0.00 SOLV H ATOM 23226 OH2 TIP3 7066 37.390 44.254 48.403 1.00 0.00 SOLV O ATOM 23227 H1 TIP3 7066 38.181 44.285 47.817 1.00 0.00 SOLV H ATOM 23228 H2 TIP3 7066 37.805 44.354 49.262 1.00 0.00 SOLV H ATOM 23229 OH2 TIP3 7067 55.962 40.623 54.541 1.00 0.00 SOLV O ATOM 23230 H1 TIP3 7067 55.293 40.609 55.244 1.00 0.00 SOLV H ATOM 23231 H2 TIP3 7067 55.771 39.771 54.106 1.00 0.00 SOLV H ATOM 23232 OH2 TIP3 7068 52.937 55.379 44.742 1.00 0.00 SOLV O ATOM 23233 H1 TIP3 7068 53.693 55.410 44.121 1.00 0.00 SOLV H ATOM 23234 H2 TIP3 7068 53.290 55.839 45.523 1.00 0.00 SOLV H ATOM 23235 OH2 TIP3 7069 38.147 38.793 50.704 1.00 0.00 SOLV O ATOM 23236 H1 TIP3 7069 37.685 38.869 51.555 1.00 0.00 SOLV H ATOM 23237 H2 TIP3 7069 37.816 39.598 50.256 1.00 0.00 SOLV H ATOM 23238 OH2 TIP3 7070 40.299 52.660 55.155 1.00 0.00 SOLV O ATOM 23239 H1 TIP3 7070 39.381 52.660 54.826 1.00 0.00 SOLV H ATOM 23240 H2 TIP3 7070 40.210 52.238 56.018 1.00 0.00 SOLV H ATOM 23241 OH2 TIP3 7071 43.348 53.489 51.499 1.00 0.00 SOLV O ATOM 23242 H1 TIP3 7071 43.110 54.391 51.195 1.00 0.00 SOLV H ATOM 23243 H2 TIP3 7071 44.301 53.516 51.273 1.00 0.00 SOLV H ATOM 23244 OH2 TIP3 7072 47.390 54.662 54.302 1.00 0.00 SOLV O ATOM 23245 H1 TIP3 7072 47.550 54.371 55.226 1.00 0.00 SOLV H ATOM 23246 H2 TIP3 7072 48.222 55.149 54.121 1.00 0.00 SOLV H ATOM 23247 OH2 TIP3 7073 49.699 56.085 53.866 1.00 0.00 SOLV O ATOM 23248 H1 TIP3 7073 50.407 55.535 53.505 1.00 0.00 SOLV H ATOM 23249 H2 TIP3 7073 50.124 56.410 54.691 1.00 0.00 SOLV H ATOM 23250 OH2 TIP3 7074 55.069 38.558 52.606 1.00 0.00 SOLV O ATOM 23251 H1 TIP3 7074 54.131 38.552 52.367 1.00 0.00 SOLV H ATOM 23252 H2 TIP3 7074 55.274 37.603 52.557 1.00 0.00 SOLV H ATOM 23253 OH2 TIP3 7075 40.470 56.462 51.574 1.00 0.00 SOLV O ATOM 23254 H1 TIP3 7075 39.681 56.921 51.206 1.00 0.00 SOLV H ATOM 23255 H2 TIP3 7075 40.515 56.873 52.450 1.00 0.00 SOLV H ATOM 23256 OH2 TIP3 7076 43.071 56.101 50.733 1.00 0.00 SOLV O ATOM 23257 H1 TIP3 7076 42.127 56.281 50.943 1.00 0.00 SOLV H ATOM 23258 H2 TIP3 7076 43.178 56.589 49.892 1.00 0.00 SOLV H ATOM 23259 OH2 TIP3 7077 47.706 55.857 49.858 1.00 0.00 SOLV O ATOM 23260 H1 TIP3 7077 47.204 56.270 49.131 1.00 0.00 SOLV H ATOM 23261 H2 TIP3 7077 47.813 56.609 50.478 1.00 0.00 SOLV H ATOM 23262 OH2 TIP3 7078 50.049 54.656 50.857 1.00 0.00 SOLV O ATOM 23263 H1 TIP3 7078 49.234 55.053 50.490 1.00 0.00 SOLV H ATOM 23264 H2 TIP3 7078 50.702 55.352 50.683 1.00 0.00 SOLV H ATOM 23265 OH2 TIP3 7079 52.477 56.268 50.901 1.00 0.00 SOLV O ATOM 23266 H1 TIP3 7079 52.612 57.200 50.628 1.00 0.00 SOLV H ATOM 23267 H2 TIP3 7079 52.863 55.783 50.138 1.00 0.00 SOLV H ATOM 23268 OH2 TIP3 7080 40.096 55.133 48.381 1.00 0.00 SOLV O ATOM 23269 H1 TIP3 7080 40.056 54.603 49.207 1.00 0.00 SOLV H ATOM 23270 H2 TIP3 7080 40.879 54.702 47.966 1.00 0.00 SOLV H ATOM 23271 OH2 TIP3 7081 42.173 53.800 47.309 1.00 0.00 SOLV O ATOM 23272 H1 TIP3 7081 42.043 52.862 47.591 1.00 0.00 SOLV H ATOM 23273 H2 TIP3 7081 43.107 53.941 47.570 1.00 0.00 SOLV H ATOM 23274 OH2 TIP3 7082 44.838 54.105 48.205 1.00 0.00 SOLV O ATOM 23275 H1 TIP3 7082 44.950 53.160 47.971 1.00 0.00 SOLV H ATOM 23276 H2 TIP3 7082 45.158 54.075 49.128 1.00 0.00 SOLV H ATOM 23277 OH2 TIP3 7083 48.430 40.120 47.422 1.00 0.00 SOLV O ATOM 23278 H1 TIP3 7083 47.907 39.359 47.716 1.00 0.00 SOLV H ATOM 23279 H2 TIP3 7083 49.154 39.693 46.921 1.00 0.00 SOLV H ATOM 23280 OH2 TIP3 7084 53.219 37.848 46.889 1.00 0.00 SOLV O ATOM 23281 H1 TIP3 7084 53.856 38.484 46.492 1.00 0.00 SOLV H ATOM 23282 H2 TIP3 7084 52.398 38.377 46.892 1.00 0.00 SOLV H ATOM 23283 OH2 TIP3 7085 54.942 39.301 45.355 1.00 0.00 SOLV O ATOM 23284 H1 TIP3 7085 55.650 38.678 45.094 1.00 0.00 SOLV H ATOM 23285 H2 TIP3 7085 55.441 40.129 45.455 1.00 0.00 SOLV H ATOM 23286 OH2 TIP3 7086 50.641 38.774 46.283 1.00 0.00 SOLV O ATOM 23287 H1 TIP3 7086 50.869 38.614 45.359 1.00 0.00 SOLV H ATOM 23288 H2 TIP3 7086 50.216 37.918 46.524 1.00 0.00 SOLV H ATOM 23289 OH2 TIP3 7087 39.389 54.590 41.500 1.00 0.00 SOLV O ATOM 23290 H1 TIP3 7087 38.579 54.505 40.966 1.00 0.00 SOLV H ATOM 23291 H2 TIP3 7087 39.536 55.553 41.427 1.00 0.00 SOLV H ATOM 23292 OH2 TIP3 7088 48.137 55.528 39.926 1.00 0.00 SOLV O ATOM 23293 H1 TIP3 7088 49.098 55.683 39.824 1.00 0.00 SOLV H ATOM 23294 H2 TIP3 7088 47.983 54.971 39.126 1.00 0.00 SOLV H ATOM 23295 OH2 TIP3 7089 54.987 55.256 42.862 1.00 0.00 SOLV O ATOM 23296 H1 TIP3 7089 54.792 54.346 42.535 1.00 0.00 SOLV H ATOM 23297 H2 TIP3 7089 54.725 55.789 42.083 1.00 0.00 SOLV H ATOM 23298 OH2 TIP3 7090 40.525 38.810 53.914 1.00 0.00 SOLV O ATOM 23299 H1 TIP3 7090 39.919 38.201 54.376 1.00 0.00 SOLV H ATOM 23300 H2 TIP3 7090 41.214 38.928 54.598 1.00 0.00 SOLV H ATOM 23301 OH2 TIP3 7091 42.446 38.516 56.000 1.00 0.00 SOLV O ATOM 23302 H1 TIP3 7091 43.341 38.166 55.880 1.00 0.00 SOLV H ATOM 23303 H2 TIP3 7091 42.005 37.764 56.447 1.00 0.00 SOLV H ATOM 23304 OH2 TIP3 7092 41.103 55.231 38.374 1.00 0.00 SOLV O ATOM 23305 H1 TIP3 7092 40.878 55.125 39.309 1.00 0.00 SOLV H ATOM 23306 H2 TIP3 7092 41.916 54.676 38.303 1.00 0.00 SOLV H ATOM 23307 OH2 TIP3 7093 51.170 38.016 56.293 1.00 0.00 SOLV O ATOM 23308 H1 TIP3 7093 50.960 37.451 57.066 1.00 0.00 SOLV H ATOM 23309 H2 TIP3 7093 52.155 38.023 56.373 1.00 0.00 SOLV H ATOM 23310 OH2 TIP3 7094 53.964 53.881 54.828 1.00 0.00 SOLV O ATOM 23311 H1 TIP3 7094 53.312 53.861 54.097 1.00 0.00 SOLV H ATOM 23312 H2 TIP3 7094 53.878 54.812 55.119 1.00 0.00 SOLV H ATOM 23313 OH2 TIP3 7095 68.140 47.616 44.646 1.00 0.00 SOLV O ATOM 23314 H1 TIP3 7095 68.161 48.588 44.688 1.00 0.00 SOLV H ATOM 23315 H2 TIP3 7095 67.700 47.481 43.798 1.00 0.00 SOLV H ATOM 23316 OH2 TIP3 7096 59.644 46.602 49.859 1.00 0.00 SOLV O ATOM 23317 H1 TIP3 7096 59.630 45.742 50.320 1.00 0.00 SOLV H ATOM 23318 H2 TIP3 7096 60.384 47.032 50.310 1.00 0.00 SOLV H ATOM 23319 OH2 TIP3 7097 60.761 51.238 48.074 1.00 0.00 SOLV O ATOM 23320 H1 TIP3 7097 60.570 50.304 47.842 1.00 0.00 SOLV H ATOM 23321 H2 TIP3 7097 61.695 51.169 48.340 1.00 0.00 SOLV H ATOM 23322 OH2 TIP3 7098 57.408 44.304 43.356 1.00 0.00 SOLV O ATOM 23323 H1 TIP3 7098 57.173 45.249 43.286 1.00 0.00 SOLV H ATOM 23324 H2 TIP3 7098 56.828 44.022 44.076 1.00 0.00 SOLV H ATOM 23325 OH2 TIP3 7099 57.951 46.811 46.068 1.00 0.00 SOLV O ATOM 23326 H1 TIP3 7099 58.274 45.916 46.322 1.00 0.00 SOLV H ATOM 23327 H2 TIP3 7099 58.779 47.277 45.884 1.00 0.00 SOLV H ATOM 23328 OH2 TIP3 7100 67.543 55.035 46.671 1.00 0.00 SOLV O ATOM 23329 H1 TIP3 7100 68.493 54.839 46.592 1.00 0.00 SOLV H ATOM 23330 H2 TIP3 7100 67.392 55.030 47.628 1.00 0.00 SOLV H ATOM 23331 OH2 TIP3 7101 65.474 49.642 48.568 1.00 0.00 SOLV O ATOM 23332 H1 TIP3 7101 65.843 49.318 47.736 1.00 0.00 SOLV H ATOM 23333 H2 TIP3 7101 66.261 49.604 49.155 1.00 0.00 SOLV H ATOM 23334 OH2 TIP3 7102 68.923 42.673 49.122 1.00 0.00 SOLV O ATOM 23335 H1 TIP3 7102 69.279 41.859 48.724 1.00 0.00 SOLV H ATOM 23336 H2 TIP3 7102 68.371 43.007 48.401 1.00 0.00 SOLV H ATOM 23337 OH2 TIP3 7103 62.305 41.912 46.262 1.00 0.00 SOLV O ATOM 23338 H1 TIP3 7103 62.454 42.769 45.808 1.00 0.00 SOLV H ATOM 23339 H2 TIP3 7103 61.866 41.405 45.549 1.00 0.00 SOLV H ATOM 23340 OH2 TIP3 7104 58.828 44.358 46.862 1.00 0.00 SOLV O ATOM 23341 H1 TIP3 7104 59.443 43.940 47.499 1.00 0.00 SOLV H ATOM 23342 H2 TIP3 7104 59.164 43.959 46.029 1.00 0.00 SOLV H ATOM 23343 OH2 TIP3 7105 63.828 45.897 46.515 1.00 0.00 SOLV O ATOM 23344 H1 TIP3 7105 64.630 45.446 46.869 1.00 0.00 SOLV H ATOM 23345 H2 TIP3 7105 63.422 45.181 45.978 1.00 0.00 SOLV H ATOM 23346 OH2 TIP3 7106 61.038 40.942 50.319 1.00 0.00 SOLV O ATOM 23347 H1 TIP3 7106 60.705 41.543 49.627 1.00 0.00 SOLV H ATOM 23348 H2 TIP3 7106 60.322 41.028 50.984 1.00 0.00 SOLV H ATOM 23349 OH2 TIP3 7107 67.952 50.352 43.817 1.00 0.00 SOLV O ATOM 23350 H1 TIP3 7107 68.764 50.462 43.287 1.00 0.00 SOLV H ATOM 23351 H2 TIP3 7107 67.745 51.265 44.095 1.00 0.00 SOLV H ATOM 23352 OH2 TIP3 7108 63.684 48.620 50.362 1.00 0.00 SOLV O ATOM 23353 H1 TIP3 7108 63.124 49.326 50.758 1.00 0.00 SOLV H ATOM 23354 H2 TIP3 7108 64.253 49.141 49.760 1.00 0.00 SOLV H ATOM 23355 OH2 TIP3 7109 60.591 42.709 48.228 1.00 0.00 SOLV O ATOM 23356 H1 TIP3 7109 61.208 43.240 48.780 1.00 0.00 SOLV H ATOM 23357 H2 TIP3 7109 61.225 42.358 47.559 1.00 0.00 SOLV H ATOM 23358 OH2 TIP3 7110 62.106 50.697 51.376 1.00 0.00 SOLV O ATOM 23359 H1 TIP3 7110 62.107 51.672 51.269 1.00 0.00 SOLV H ATOM 23360 H2 TIP3 7110 61.169 50.569 51.642 1.00 0.00 SOLV H ATOM 23361 OH2 TIP3 7111 57.876 50.347 42.010 1.00 0.00 SOLV O ATOM 23362 H1 TIP3 7111 57.690 50.899 41.233 1.00 0.00 SOLV H ATOM 23363 H2 TIP3 7111 58.184 51.029 42.648 1.00 0.00 SOLV H ATOM 23364 OH2 TIP3 7112 64.608 38.054 47.753 1.00 0.00 SOLV O ATOM 23365 H1 TIP3 7112 64.364 37.106 47.726 1.00 0.00 SOLV H ATOM 23366 H2 TIP3 7112 63.786 38.442 48.133 1.00 0.00 SOLV H ATOM 23367 OH2 TIP3 7113 67.244 47.197 41.986 1.00 0.00 SOLV O ATOM 23368 H1 TIP3 7113 66.427 47.732 41.919 1.00 0.00 SOLV H ATOM 23369 H2 TIP3 7113 67.889 47.823 41.627 1.00 0.00 SOLV H ATOM 23370 OH2 TIP3 7114 67.129 45.466 39.031 1.00 0.00 SOLV O ATOM 23371 H1 TIP3 7114 67.392 45.492 39.960 1.00 0.00 SOLV H ATOM 23372 H2 TIP3 7114 67.442 44.593 38.748 1.00 0.00 SOLV H ATOM 23373 OH2 TIP3 7115 62.291 47.828 45.280 1.00 0.00 SOLV O ATOM 23374 H1 TIP3 7115 61.960 47.456 44.433 1.00 0.00 SOLV H ATOM 23375 H2 TIP3 7115 62.855 47.098 45.619 1.00 0.00 SOLV H ATOM 23376 OH2 TIP3 7116 63.557 51.439 47.821 1.00 0.00 SOLV O ATOM 23377 H1 TIP3 7116 63.609 51.257 46.872 1.00 0.00 SOLV H ATOM 23378 H2 TIP3 7116 64.250 50.843 48.181 1.00 0.00 SOLV H ATOM 23379 OH2 TIP3 7117 62.540 46.622 48.830 1.00 0.00 SOLV O ATOM 23380 H1 TIP3 7117 63.079 46.460 48.025 1.00 0.00 SOLV H ATOM 23381 H2 TIP3 7117 63.024 47.345 49.278 1.00 0.00 SOLV H ATOM 23382 OH2 TIP3 7118 68.532 51.729 50.149 1.00 0.00 SOLV O ATOM 23383 H1 TIP3 7118 68.867 52.288 50.861 1.00 0.00 SOLV H ATOM 23384 H2 TIP3 7118 68.972 52.124 49.365 1.00 0.00 SOLV H ATOM 23385 OH2 TIP3 7119 63.628 50.974 53.657 1.00 0.00 SOLV O ATOM 23386 H1 TIP3 7119 62.990 51.611 54.050 1.00 0.00 SOLV H ATOM 23387 H2 TIP3 7119 63.141 50.727 52.844 1.00 0.00 SOLV H ATOM 23388 OH2 TIP3 7120 60.521 47.084 52.901 1.00 0.00 SOLV O ATOM 23389 H1 TIP3 7120 60.584 47.851 53.507 1.00 0.00 SOLV H ATOM 23390 H2 TIP3 7120 59.545 46.991 52.841 1.00 0.00 SOLV H ATOM 23391 OH2 TIP3 7121 67.406 53.104 44.321 1.00 0.00 SOLV O ATOM 23392 H1 TIP3 7121 67.454 53.522 45.198 1.00 0.00 SOLV H ATOM 23393 H2 TIP3 7121 66.986 53.811 43.813 1.00 0.00 SOLV H ATOM 23394 OH2 TIP3 7122 61.736 52.871 54.261 1.00 0.00 SOLV O ATOM 23395 H1 TIP3 7122 61.674 53.195 53.344 1.00 0.00 SOLV H ATOM 23396 H2 TIP3 7122 60.789 52.747 54.505 1.00 0.00 SOLV H ATOM 23397 OH2 TIP3 7123 61.312 46.982 42.784 1.00 0.00 SOLV O ATOM 23398 H1 TIP3 7123 60.761 47.550 42.208 1.00 0.00 SOLV H ATOM 23399 H2 TIP3 7123 61.183 46.103 42.408 1.00 0.00 SOLV H ATOM 23400 OH2 TIP3 7124 57.290 49.350 51.692 1.00 0.00 SOLV O ATOM 23401 H1 TIP3 7124 56.761 49.435 50.870 1.00 0.00 SOLV H ATOM 23402 H2 TIP3 7124 57.456 48.388 51.747 1.00 0.00 SOLV H ATOM 23403 OH2 TIP3 7125 57.182 52.233 48.262 1.00 0.00 SOLV O ATOM 23404 H1 TIP3 7125 58.097 52.050 48.523 1.00 0.00 SOLV H ATOM 23405 H2 TIP3 7125 56.921 52.892 48.926 1.00 0.00 SOLV H ATOM 23406 OH2 TIP3 7126 65.932 52.266 52.918 1.00 0.00 SOLV O ATOM 23407 H1 TIP3 7126 66.085 53.026 53.506 1.00 0.00 SOLV H ATOM 23408 H2 TIP3 7126 65.116 51.868 53.293 1.00 0.00 SOLV H ATOM 23409 OH2 TIP3 7127 66.523 56.082 42.413 1.00 0.00 SOLV O ATOM 23410 H1 TIP3 7127 67.259 56.504 41.957 1.00 0.00 SOLV H ATOM 23411 H2 TIP3 7127 66.454 56.600 43.224 1.00 0.00 SOLV H ATOM 23412 OH2 TIP3 7128 60.346 54.786 44.791 1.00 0.00 SOLV O ATOM 23413 H1 TIP3 7128 60.551 54.475 45.701 1.00 0.00 SOLV H ATOM 23414 H2 TIP3 7128 59.761 54.078 44.475 1.00 0.00 SOLV H ATOM 23415 OH2 TIP3 7129 59.549 50.762 52.354 1.00 0.00 SOLV O ATOM 23416 H1 TIP3 7129 59.752 50.378 53.229 1.00 0.00 SOLV H ATOM 23417 H2 TIP3 7129 58.725 50.283 52.121 1.00 0.00 SOLV H ATOM 23418 OH2 TIP3 7130 62.195 39.023 48.689 1.00 0.00 SOLV O ATOM 23419 H1 TIP3 7130 61.416 38.987 48.098 1.00 0.00 SOLV H ATOM 23420 H2 TIP3 7130 61.904 39.734 49.297 1.00 0.00 SOLV H ATOM 23421 OH2 TIP3 7131 66.861 38.603 52.030 1.00 0.00 SOLV O ATOM 23422 H1 TIP3 7131 66.934 38.199 52.906 1.00 0.00 SOLV H ATOM 23423 H2 TIP3 7131 65.882 38.562 51.914 1.00 0.00 SOLV H ATOM 23424 OH2 TIP3 7132 66.688 41.095 39.100 1.00 0.00 SOLV O ATOM 23425 H1 TIP3 7132 66.295 40.987 39.993 1.00 0.00 SOLV H ATOM 23426 H2 TIP3 7132 65.995 40.625 38.593 1.00 0.00 SOLV H ATOM 23427 OH2 TIP3 7133 62.290 44.134 49.880 1.00 0.00 SOLV O ATOM 23428 H1 TIP3 7133 61.604 44.232 50.574 1.00 0.00 SOLV H ATOM 23429 H2 TIP3 7133 62.345 45.055 49.537 1.00 0.00 SOLV H ATOM 23430 OH2 TIP3 7134 62.315 44.280 44.914 1.00 0.00 SOLV O ATOM 23431 H1 TIP3 7134 61.360 44.126 44.758 1.00 0.00 SOLV H ATOM 23432 H2 TIP3 7134 62.637 44.236 43.980 1.00 0.00 SOLV H ATOM 23433 OH2 TIP3 7135 67.418 44.698 43.513 1.00 0.00 SOLV O ATOM 23434 H1 TIP3 7135 67.301 45.548 43.051 1.00 0.00 SOLV H ATOM 23435 H2 TIP3 7135 67.444 44.037 42.786 1.00 0.00 SOLV H ATOM 23436 OH2 TIP3 7136 67.092 44.634 54.485 1.00 0.00 SOLV O ATOM 23437 H1 TIP3 7136 66.546 43.975 54.965 1.00 0.00 SOLV H ATOM 23438 H2 TIP3 7136 67.910 44.627 55.004 1.00 0.00 SOLV H ATOM 23439 OH2 TIP3 7137 68.076 43.772 46.360 1.00 0.00 SOLV O ATOM 23440 H1 TIP3 7137 67.875 44.346 45.600 1.00 0.00 SOLV H ATOM 23441 H2 TIP3 7137 68.560 43.047 45.914 1.00 0.00 SOLV H ATOM 23442 OH2 TIP3 7138 60.003 44.266 51.423 1.00 0.00 SOLV O ATOM 23443 H1 TIP3 7138 60.191 44.663 52.286 1.00 0.00 SOLV H ATOM 23444 H2 TIP3 7138 59.622 43.401 51.683 1.00 0.00 SOLV H ATOM 23445 OH2 TIP3 7139 56.905 41.302 45.097 1.00 0.00 SOLV O ATOM 23446 H1 TIP3 7139 57.115 41.501 46.037 1.00 0.00 SOLV H ATOM 23447 H2 TIP3 7139 57.729 40.863 44.849 1.00 0.00 SOLV H ATOM 23448 OH2 TIP3 7140 57.481 42.632 41.217 1.00 0.00 SOLV O ATOM 23449 H1 TIP3 7140 58.005 42.935 40.429 1.00 0.00 SOLV H ATOM 23450 H2 TIP3 7140 57.755 43.292 41.896 1.00 0.00 SOLV H ATOM 23451 OH2 TIP3 7141 65.054 41.825 45.875 1.00 0.00 SOLV O ATOM 23452 H1 TIP3 7141 64.172 41.700 46.273 1.00 0.00 SOLV H ATOM 23453 H2 TIP3 7141 65.600 41.181 46.371 1.00 0.00 SOLV H ATOM 23454 OH2 TIP3 7142 59.769 43.348 44.490 1.00 0.00 SOLV O ATOM 23455 H1 TIP3 7142 59.013 43.545 43.901 1.00 0.00 SOLV H ATOM 23456 H2 TIP3 7142 60.056 42.455 44.194 1.00 0.00 SOLV H ATOM 23457 OH2 TIP3 7143 62.977 43.932 42.364 1.00 0.00 SOLV O ATOM 23458 H1 TIP3 7143 63.800 43.408 42.368 1.00 0.00 SOLV H ATOM 23459 H2 TIP3 7143 62.741 43.969 41.412 1.00 0.00 SOLV H ATOM 23460 OH2 TIP3 7144 62.211 44.495 39.837 1.00 0.00 SOLV O ATOM 23461 H1 TIP3 7144 62.120 43.591 39.445 1.00 0.00 SOLV H ATOM 23462 H2 TIP3 7144 62.848 44.877 39.212 1.00 0.00 SOLV H ATOM 23463 OH2 TIP3 7145 60.369 49.271 54.706 1.00 0.00 SOLV O ATOM 23464 H1 TIP3 7145 61.026 49.280 55.428 1.00 0.00 SOLV H ATOM 23465 H2 TIP3 7145 59.543 49.211 55.227 1.00 0.00 SOLV H ATOM 23466 OH2 TIP3 7146 65.881 44.650 47.787 1.00 0.00 SOLV O ATOM 23467 H1 TIP3 7146 66.662 44.297 47.312 1.00 0.00 SOLV H ATOM 23468 H2 TIP3 7146 65.601 43.882 48.320 1.00 0.00 SOLV H ATOM 23469 OH2 TIP3 7147 60.863 40.810 44.110 1.00 0.00 SOLV O ATOM 23470 H1 TIP3 7147 60.354 39.998 44.332 1.00 0.00 SOLV H ATOM 23471 H2 TIP3 7147 61.425 40.483 43.394 1.00 0.00 SOLV H ATOM 23472 OH2 TIP3 7148 64.783 42.997 49.845 1.00 0.00 SOLV O ATOM 23473 H1 TIP3 7148 63.935 43.489 49.877 1.00 0.00 SOLV H ATOM 23474 H2 TIP3 7148 65.305 43.412 50.567 1.00 0.00 SOLV H ATOM 23475 OH2 TIP3 7149 65.172 49.083 41.656 1.00 0.00 SOLV O ATOM 23476 H1 TIP3 7149 64.453 48.526 41.280 1.00 0.00 SOLV H ATOM 23477 H2 TIP3 7149 64.831 49.227 42.577 1.00 0.00 SOLV H ATOM 23478 OH2 TIP3 7150 67.099 49.738 52.624 1.00 0.00 SOLV O ATOM 23479 H1 TIP3 7150 66.913 49.356 53.489 1.00 0.00 SOLV H ATOM 23480 H2 TIP3 7150 66.798 50.666 52.736 1.00 0.00 SOLV H ATOM 23481 OH2 TIP3 7151 60.680 48.547 47.405 1.00 0.00 SOLV O ATOM 23482 H1 TIP3 7151 61.259 48.328 46.645 1.00 0.00 SOLV H ATOM 23483 H2 TIP3 7151 60.876 47.820 48.018 1.00 0.00 SOLV H ATOM 23484 OH2 TIP3 7152 67.214 50.604 40.747 1.00 0.00 SOLV O ATOM 23485 H1 TIP3 7152 67.287 51.232 41.472 1.00 0.00 SOLV H ATOM 23486 H2 TIP3 7152 66.557 49.974 41.112 1.00 0.00 SOLV H ATOM 23487 OH2 TIP3 7153 57.779 46.760 52.730 1.00 0.00 SOLV O ATOM 23488 H1 TIP3 7153 57.581 46.429 53.628 1.00 0.00 SOLV H ATOM 23489 H2 TIP3 7153 57.073 46.321 52.224 1.00 0.00 SOLV H ATOM 23490 OH2 TIP3 7154 64.813 46.473 54.895 1.00 0.00 SOLV O ATOM 23491 H1 TIP3 7154 64.249 46.211 54.150 1.00 0.00 SOLV H ATOM 23492 H2 TIP3 7154 65.661 46.073 54.631 1.00 0.00 SOLV H ATOM 23493 OH2 TIP3 7155 62.985 51.998 44.686 1.00 0.00 SOLV O ATOM 23494 H1 TIP3 7155 63.130 52.933 44.409 1.00 0.00 SOLV H ATOM 23495 H2 TIP3 7155 62.063 52.029 44.964 1.00 0.00 SOLV H ATOM 23496 OH2 TIP3 7156 58.738 46.710 39.363 1.00 0.00 SOLV O ATOM 23497 H1 TIP3 7156 59.177 47.380 39.935 1.00 0.00 SOLV H ATOM 23498 H2 TIP3 7156 57.830 46.710 39.733 1.00 0.00 SOLV H ATOM 23499 OH2 TIP3 7157 64.033 49.571 44.021 1.00 0.00 SOLV O ATOM 23500 H1 TIP3 7157 63.733 50.458 44.312 1.00 0.00 SOLV H ATOM 23501 H2 TIP3 7157 63.442 48.988 44.540 1.00 0.00 SOLV H ATOM 23502 OH2 TIP3 7158 64.903 53.769 50.662 1.00 0.00 SOLV O ATOM 23503 H1 TIP3 7158 65.598 54.409 50.392 1.00 0.00 SOLV H ATOM 23504 H2 TIP3 7158 65.413 53.172 51.241 1.00 0.00 SOLV H ATOM 23505 OH2 TIP3 7159 62.981 54.625 43.889 1.00 0.00 SOLV O ATOM 23506 H1 TIP3 7159 62.060 54.871 44.102 1.00 0.00 SOLV H ATOM 23507 H2 TIP3 7159 63.450 55.455 44.122 1.00 0.00 SOLV H ATOM 23508 OH2 TIP3 7160 67.702 49.202 50.111 1.00 0.00 SOLV O ATOM 23509 H1 TIP3 7160 67.366 49.333 51.031 1.00 0.00 SOLV H ATOM 23510 H2 TIP3 7160 68.108 50.108 49.998 1.00 0.00 SOLV H ATOM 23511 OH2 TIP3 7161 58.999 41.659 52.092 1.00 0.00 SOLV O ATOM 23512 H1 TIP3 7161 58.042 41.852 52.018 1.00 0.00 SOLV H ATOM 23513 H2 TIP3 7161 59.000 40.977 52.787 1.00 0.00 SOLV H ATOM 23514 OH2 TIP3 7162 58.873 53.303 50.509 1.00 0.00 SOLV O ATOM 23515 H1 TIP3 7162 59.154 52.492 50.970 1.00 0.00 SOLV H ATOM 23516 H2 TIP3 7162 58.972 53.965 51.207 1.00 0.00 SOLV H ATOM 23517 OH2 TIP3 7163 64.416 51.675 38.020 1.00 0.00 SOLV O ATOM 23518 H1 TIP3 7163 64.701 51.015 37.348 1.00 0.00 SOLV H ATOM 23519 H2 TIP3 7163 64.219 51.073 38.749 1.00 0.00 SOLV H ATOM 23520 OH2 TIP3 7164 63.759 51.933 40.920 1.00 0.00 SOLV O ATOM 23521 H1 TIP3 7164 64.138 51.046 41.032 1.00 0.00 SOLV H ATOM 23522 H2 TIP3 7164 63.417 52.089 41.816 1.00 0.00 SOLV H ATOM 23523 OH2 TIP3 7165 59.798 48.652 41.056 1.00 0.00 SOLV O ATOM 23524 H1 TIP3 7165 59.078 49.120 41.536 1.00 0.00 SOLV H ATOM 23525 H2 TIP3 7165 60.201 49.410 40.593 1.00 0.00 SOLV H ATOM 23526 OH2 TIP3 7166 67.645 41.372 52.068 1.00 0.00 SOLV O ATOM 23527 H1 TIP3 7166 67.713 41.325 53.047 1.00 0.00 SOLV H ATOM 23528 H2 TIP3 7166 67.221 40.526 51.858 1.00 0.00 SOLV H ATOM 23529 OH2 TIP3 7167 68.024 42.306 42.343 1.00 0.00 SOLV O ATOM 23530 H1 TIP3 7167 68.154 41.828 41.513 1.00 0.00 SOLV H ATOM 23531 H2 TIP3 7167 68.804 42.067 42.864 1.00 0.00 SOLV H ATOM 23532 OH2 TIP3 7168 65.284 42.676 43.340 1.00 0.00 SOLV O ATOM 23533 H1 TIP3 7168 66.037 43.269 43.515 1.00 0.00 SOLV H ATOM 23534 H2 TIP3 7168 65.079 42.408 44.266 1.00 0.00 SOLV H ATOM 23535 OH2 TIP3 7169 66.414 43.891 51.846 1.00 0.00 SOLV O ATOM 23536 H1 TIP3 7169 66.626 44.124 52.770 1.00 0.00 SOLV H ATOM 23537 H2 TIP3 7169 66.933 43.063 51.740 1.00 0.00 SOLV H ATOM 23538 OH2 TIP3 7170 66.635 39.796 43.970 1.00 0.00 SOLV O ATOM 23539 H1 TIP3 7170 66.686 40.033 44.917 1.00 0.00 SOLV H ATOM 23540 H2 TIP3 7170 66.574 40.669 43.548 1.00 0.00 SOLV H ATOM 23541 OH2 TIP3 7171 60.666 50.976 39.630 1.00 0.00 SOLV O ATOM 23542 H1 TIP3 7171 61.339 51.600 39.927 1.00 0.00 SOLV H ATOM 23543 H2 TIP3 7171 61.193 50.396 39.031 1.00 0.00 SOLV H ATOM 23544 OH2 TIP3 7172 58.455 43.921 39.035 1.00 0.00 SOLV O ATOM 23545 H1 TIP3 7172 58.823 44.805 39.214 1.00 0.00 SOLV H ATOM 23546 H2 TIP3 7172 58.823 43.729 38.156 1.00 0.00 SOLV H ATOM 23547 OH2 TIP3 7173 59.688 38.852 47.493 1.00 0.00 SOLV O ATOM 23548 H1 TIP3 7173 59.616 38.688 46.530 1.00 0.00 SOLV H ATOM 23549 H2 TIP3 7173 59.348 38.012 47.866 1.00 0.00 SOLV H ATOM 23550 OH2 TIP3 7174 58.524 52.650 43.410 1.00 0.00 SOLV O ATOM 23551 H1 TIP3 7174 57.903 52.901 44.108 1.00 0.00 SOLV H ATOM 23552 H2 TIP3 7174 58.381 53.351 42.731 1.00 0.00 SOLV H ATOM 23553 OH2 TIP3 7175 58.106 55.651 55.289 1.00 0.00 SOLV O ATOM 23554 H1 TIP3 7175 58.790 55.407 55.957 1.00 0.00 SOLV H ATOM 23555 H2 TIP3 7175 57.793 54.771 55.026 1.00 0.00 SOLV H ATOM 23556 OH2 TIP3 7176 62.332 54.044 56.675 1.00 0.00 SOLV O ATOM 23557 H1 TIP3 7176 63.175 53.625 56.908 1.00 0.00 SOLV H ATOM 23558 H2 TIP3 7176 62.168 53.628 55.803 1.00 0.00 SOLV H ATOM 23559 OH2 TIP3 7177 66.647 53.381 38.154 1.00 0.00 SOLV O ATOM 23560 H1 TIP3 7177 66.347 52.545 37.742 1.00 0.00 SOLV H ATOM 23561 H2 TIP3 7177 67.559 53.107 38.341 1.00 0.00 SOLV H ATOM 23562 OH2 TIP3 7178 57.905 49.215 56.044 1.00 0.00 SOLV O ATOM 23563 H1 TIP3 7178 57.903 48.242 55.943 1.00 0.00 SOLV H ATOM 23564 H2 TIP3 7178 57.198 49.481 55.417 1.00 0.00 SOLV H ATOM 23565 OH2 TIP3 7179 62.196 49.252 38.248 1.00 0.00 SOLV O ATOM 23566 H1 TIP3 7179 62.423 48.544 38.879 1.00 0.00 SOLV H ATOM 23567 H2 TIP3 7179 62.997 49.248 37.677 1.00 0.00 SOLV H ATOM 23568 OH2 TIP3 7180 64.429 49.287 55.619 1.00 0.00 SOLV O ATOM 23569 H1 TIP3 7180 64.216 49.779 54.795 1.00 0.00 SOLV H ATOM 23570 H2 TIP3 7180 64.643 48.391 55.292 1.00 0.00 SOLV H ATOM 23571 OH2 TIP3 7181 67.410 50.683 38.022 1.00 0.00 SOLV O ATOM 23572 H1 TIP3 7181 67.522 50.609 38.994 1.00 0.00 SOLV H ATOM 23573 H2 TIP3 7181 67.364 49.745 37.769 1.00 0.00 SOLV H ATOM 23574 OH2 TIP3 7182 58.743 46.535 55.607 1.00 0.00 SOLV O ATOM 23575 H1 TIP3 7182 59.351 45.823 55.378 1.00 0.00 SOLV H ATOM 23576 H2 TIP3 7182 58.838 46.562 56.584 1.00 0.00 SOLV H ATOM 23577 OH2 TIP3 7183 63.269 47.538 40.471 1.00 0.00 SOLV O ATOM 23578 H1 TIP3 7183 62.753 46.969 41.063 1.00 0.00 SOLV H ATOM 23579 H2 TIP3 7183 63.693 46.866 39.886 1.00 0.00 SOLV H ATOM 23580 OH2 TIP3 7184 62.496 45.252 52.919 1.00 0.00 SOLV O ATOM 23581 H1 TIP3 7184 61.832 45.976 52.902 1.00 0.00 SOLV H ATOM 23582 H2 TIP3 7184 63.266 45.705 52.507 1.00 0.00 SOLV H ATOM 23583 OH2 TIP3 7185 64.442 45.890 38.675 1.00 0.00 SOLV O ATOM 23584 H1 TIP3 7185 64.469 46.100 37.718 1.00 0.00 SOLV H ATOM 23585 H2 TIP3 7185 65.379 45.645 38.823 1.00 0.00 SOLV H ATOM 23586 OH2 TIP3 7186 67.564 47.915 56.375 1.00 0.00 SOLV O ATOM 23587 H1 TIP3 7186 68.521 48.041 56.455 1.00 0.00 SOLV H ATOM 23588 H2 TIP3 7186 67.420 47.037 56.772 1.00 0.00 SOLV H ATOM 23589 OH2 TIP3 7187 63.309 42.840 53.787 1.00 0.00 SOLV O ATOM 23590 H1 TIP3 7187 63.326 42.216 53.032 1.00 0.00 SOLV H ATOM 23591 H2 TIP3 7187 63.022 43.677 53.354 1.00 0.00 SOLV H ATOM 23592 OH2 TIP3 7188 63.482 41.148 51.539 1.00 0.00 SOLV O ATOM 23593 H1 TIP3 7188 64.008 41.645 50.882 1.00 0.00 SOLV H ATOM 23594 H2 TIP3 7188 62.600 41.127 51.109 1.00 0.00 SOLV H ATOM 23595 OH2 TIP3 7189 64.608 46.515 51.935 1.00 0.00 SOLV O ATOM 23596 H1 TIP3 7189 65.285 46.019 51.456 1.00 0.00 SOLV H ATOM 23597 H2 TIP3 7189 64.391 47.267 51.341 1.00 0.00 SOLV H ATOM 23598 OH2 TIP3 7190 61.639 43.491 56.026 1.00 0.00 SOLV O ATOM 23599 H1 TIP3 7190 60.852 42.918 55.893 1.00 0.00 SOLV H ATOM 23600 H2 TIP3 7190 62.100 43.384 55.173 1.00 0.00 SOLV H ATOM 23601 OH2 TIP3 7191 64.156 38.446 51.902 1.00 0.00 SOLV O ATOM 23602 H1 TIP3 7191 63.809 39.357 51.789 1.00 0.00 SOLV H ATOM 23603 H2 TIP3 7191 63.431 37.913 51.507 1.00 0.00 SOLV H ATOM 23604 OH2 TIP3 7192 65.492 42.578 55.388 1.00 0.00 SOLV O ATOM 23605 H1 TIP3 7192 64.993 42.266 56.172 1.00 0.00 SOLV H ATOM 23606 H2 TIP3 7192 64.730 42.670 54.767 1.00 0.00 SOLV H ATOM 23607 OH2 TIP3 7193 67.895 41.476 54.739 1.00 0.00 SOLV O ATOM 23608 H1 TIP3 7193 67.016 41.884 54.911 1.00 0.00 SOLV H ATOM 23609 H2 TIP3 7193 67.897 40.774 55.399 1.00 0.00 SOLV H ATOM 23610 OH2 TIP3 7194 59.661 41.617 55.665 1.00 0.00 SOLV O ATOM 23611 H1 TIP3 7194 59.534 40.798 55.141 1.00 0.00 SOLV H ATOM 23612 H2 TIP3 7194 59.720 41.236 56.569 1.00 0.00 SOLV H ATOM 23613 OH2 TIP3 7195 64.509 37.903 54.601 1.00 0.00 SOLV O ATOM 23614 H1 TIP3 7195 65.051 37.094 54.528 1.00 0.00 SOLV H ATOM 23615 H2 TIP3 7195 64.259 38.057 53.668 1.00 0.00 SOLV H ATOM 23616 OH2 TIP3 7196 64.974 39.478 56.777 1.00 0.00 SOLV O ATOM 23617 H1 TIP3 7196 64.789 38.951 55.966 1.00 0.00 SOLV H ATOM 23618 H2 TIP3 7196 64.296 40.184 56.715 1.00 0.00 SOLV H ATOM 23619 OH2 TIP3 7197 57.993 51.171 39.099 1.00 0.00 SOLV O ATOM 23620 H1 TIP3 7197 58.945 51.127 39.336 1.00 0.00 SOLV H ATOM 23621 H2 TIP3 7197 57.893 50.359 38.558 1.00 0.00 SOLV H ATOM 23622 OH2 TIP3 7198 56.935 56.277 44.500 1.00 0.00 SOLV O ATOM 23623 H1 TIP3 7198 56.327 55.939 43.804 1.00 0.00 SOLV H ATOM 23624 H2 TIP3 7198 57.070 55.465 45.030 1.00 0.00 SOLV H ATOM 23625 OH2 TIP3 7199 57.473 54.096 46.127 1.00 0.00 SOLV O ATOM 23626 H1 TIP3 7199 57.060 53.383 46.653 1.00 0.00 SOLV H ATOM 23627 H2 TIP3 7199 57.931 54.572 46.843 1.00 0.00 SOLV H ATOM 23628 OH2 TIP3 7200 57.361 47.530 48.683 1.00 0.00 SOLV O ATOM 23629 H1 TIP3 7200 57.510 47.334 47.735 1.00 0.00 SOLV H ATOM 23630 H2 TIP3 7200 58.242 47.293 49.060 1.00 0.00 SOLV H ATOM 23631 OH2 TIP3 7201 57.370 42.941 55.050 1.00 0.00 SOLV O ATOM 23632 H1 TIP3 7201 58.245 42.552 55.259 1.00 0.00 SOLV H ATOM 23633 H2 TIP3 7201 56.856 42.114 54.905 1.00 0.00 SOLV H ATOM 23634 OH2 TIP3 7202 58.191 41.225 47.539 1.00 0.00 SOLV O ATOM 23635 H1 TIP3 7202 58.615 40.349 47.649 1.00 0.00 SOLV H ATOM 23636 H2 TIP3 7202 58.906 41.807 47.850 1.00 0.00 SOLV H ATOM 23637 OH2 TIP3 7203 56.471 44.044 48.433 1.00 0.00 SOLV O ATOM 23638 H1 TIP3 7203 57.257 44.192 47.874 1.00 0.00 SOLV H ATOM 23639 H2 TIP3 7203 56.666 44.581 49.211 1.00 0.00 SOLV H ATOM 23640 OH2 TIP3 7204 56.982 40.181 42.338 1.00 0.00 SOLV O ATOM 23641 H1 TIP3 7204 56.562 40.356 43.195 1.00 0.00 SOLV H ATOM 23642 H2 TIP3 7204 57.235 41.077 42.028 1.00 0.00 SOLV H ATOM 23643 OH2 TIP3 7205 57.139 39.002 50.859 1.00 0.00 SOLV O ATOM 23644 H1 TIP3 7205 56.466 38.909 51.565 1.00 0.00 SOLV H ATOM 23645 H2 TIP3 7205 56.682 39.643 50.283 1.00 0.00 SOLV H ATOM 23646 OH2 TIP3 7206 59.158 52.614 55.158 1.00 0.00 SOLV O ATOM 23647 H1 TIP3 7206 58.252 52.633 54.792 1.00 0.00 SOLV H ATOM 23648 H2 TIP3 7206 59.012 52.208 56.021 1.00 0.00 SOLV H ATOM 23649 OH2 TIP3 7207 62.268 53.464 51.474 1.00 0.00 SOLV O ATOM 23650 H1 TIP3 7207 62.007 54.363 51.181 1.00 0.00 SOLV H ATOM 23651 H2 TIP3 7207 63.224 53.516 51.267 1.00 0.00 SOLV H ATOM 23652 OH2 TIP3 7208 66.671 54.771 54.406 1.00 0.00 SOLV O ATOM 23653 H1 TIP3 7208 66.691 54.379 55.306 1.00 0.00 SOLV H ATOM 23654 H2 TIP3 7208 67.629 54.832 54.227 1.00 0.00 SOLV H ATOM 23655 OH2 TIP3 7209 59.324 56.452 51.569 1.00 0.00 SOLV O ATOM 23656 H1 TIP3 7209 58.532 56.913 51.212 1.00 0.00 SOLV H ATOM 23657 H2 TIP3 7209 59.379 56.861 52.446 1.00 0.00 SOLV H ATOM 23658 OH2 TIP3 7210 61.918 56.078 50.729 1.00 0.00 SOLV O ATOM 23659 H1 TIP3 7210 60.976 56.250 50.959 1.00 0.00 SOLV H ATOM 23660 H2 TIP3 7210 62.009 56.588 49.900 1.00 0.00 SOLV H ATOM 23661 OH2 TIP3 7211 66.538 55.765 49.659 1.00 0.00 SOLV O ATOM 23662 H1 TIP3 7211 65.945 56.352 49.162 1.00 0.00 SOLV H ATOM 23663 H2 TIP3 7211 66.837 56.333 50.391 1.00 0.00 SOLV H ATOM 23664 OH2 TIP3 7212 58.943 55.117 48.347 1.00 0.00 SOLV O ATOM 23665 H1 TIP3 7212 58.875 54.584 49.168 1.00 0.00 SOLV H ATOM 23666 H2 TIP3 7212 59.729 54.681 47.949 1.00 0.00 SOLV H ATOM 23667 OH2 TIP3 7213 61.036 53.801 47.241 1.00 0.00 SOLV O ATOM 23668 H1 TIP3 7213 60.877 52.878 47.558 1.00 0.00 SOLV H ATOM 23669 H2 TIP3 7213 61.941 53.963 47.586 1.00 0.00 SOLV H ATOM 23670 OH2 TIP3 7214 63.639 54.145 48.242 1.00 0.00 SOLV O ATOM 23671 H1 TIP3 7214 63.716 53.191 48.027 1.00 0.00 SOLV H ATOM 23672 H2 TIP3 7214 64.011 54.121 49.148 1.00 0.00 SOLV H ATOM 23673 OH2 TIP3 7215 66.583 39.727 46.786 1.00 0.00 SOLV O ATOM 23674 H1 TIP3 7215 65.920 39.136 47.205 1.00 0.00 SOLV H ATOM 23675 H2 TIP3 7215 67.375 39.173 46.848 1.00 0.00 SOLV H ATOM 23676 OH2 TIP3 7216 59.400 38.547 44.725 1.00 0.00 SOLV O ATOM 23677 H1 TIP3 7216 58.473 38.302 44.506 1.00 0.00 SOLV H ATOM 23678 H2 TIP3 7216 59.825 37.668 44.615 1.00 0.00 SOLV H ATOM 23679 OH2 TIP3 7217 58.376 38.201 41.042 1.00 0.00 SOLV O ATOM 23680 H1 TIP3 7217 58.710 38.701 40.285 1.00 0.00 SOLV H ATOM 23681 H2 TIP3 7217 57.904 38.889 41.558 1.00 0.00 SOLV H ATOM 23682 OH2 TIP3 7218 64.057 38.241 44.874 1.00 0.00 SOLV O ATOM 23683 H1 TIP3 7218 64.907 38.512 44.500 1.00 0.00 SOLV H ATOM 23684 H2 TIP3 7218 64.230 38.303 45.827 1.00 0.00 SOLV H ATOM 23685 OH2 TIP3 7219 58.290 54.626 41.513 1.00 0.00 SOLV O ATOM 23686 H1 TIP3 7219 57.473 54.593 40.976 1.00 0.00 SOLV H ATOM 23687 H2 TIP3 7219 58.469 55.587 41.459 1.00 0.00 SOLV H ATOM 23688 OH2 TIP3 7220 65.495 40.649 41.482 1.00 0.00 SOLV O ATOM 23689 H1 TIP3 7220 64.971 39.968 41.921 1.00 0.00 SOLV H ATOM 23690 H2 TIP3 7220 65.364 41.425 42.063 1.00 0.00 SOLV H ATOM 23691 OH2 TIP3 7221 59.396 39.242 54.281 1.00 0.00 SOLV O ATOM 23692 H1 TIP3 7221 58.768 38.517 54.500 1.00 0.00 SOLV H ATOM 23693 H2 TIP3 7221 60.173 38.934 54.791 1.00 0.00 SOLV H ATOM 23694 OH2 TIP3 7222 61.427 38.407 56.052 1.00 0.00 SOLV O ATOM 23695 H1 TIP3 7222 62.271 37.972 55.859 1.00 0.00 SOLV H ATOM 23696 H2 TIP3 7222 60.929 37.674 56.476 1.00 0.00 SOLV H ATOM 23697 OH2 TIP3 7223 60.023 55.319 38.467 1.00 0.00 SOLV O ATOM 23698 H1 TIP3 7223 59.529 55.627 39.245 1.00 0.00 SOLV H ATOM 23699 H2 TIP3 7223 60.471 54.532 38.805 1.00 0.00 SOLV H ATOM 23700 OH2 TIP3 7224 11.894 66.550 44.549 1.00 0.00 SOLV O ATOM 23701 H1 TIP3 7224 11.663 67.422 44.894 1.00 0.00 SOLV H ATOM 23702 H2 TIP3 7224 11.140 66.352 43.975 1.00 0.00 SOLV H ATOM 23703 OH2 TIP3 7225 11.016 65.829 48.385 1.00 0.00 SOLV O ATOM 23704 H1 TIP3 7225 11.105 65.352 49.238 1.00 0.00 SOLV H ATOM 23705 H2 TIP3 7225 10.610 65.146 47.824 1.00 0.00 SOLV H ATOM 23706 OH2 TIP3 7226 2.938 65.327 49.802 1.00 0.00 SOLV O ATOM 23707 H1 TIP3 7226 2.987 64.506 50.334 1.00 0.00 SOLV H ATOM 23708 H2 TIP3 7226 3.812 65.698 50.001 1.00 0.00 SOLV H ATOM 23709 OH2 TIP3 7227 14.029 68.327 46.898 1.00 0.00 SOLV O ATOM 23710 H1 TIP3 7227 13.911 67.367 46.917 1.00 0.00 SOLV H ATOM 23711 H2 TIP3 7227 14.495 68.466 47.734 1.00 0.00 SOLV H ATOM 23712 OH2 TIP3 7228 1.195 63.587 43.732 1.00 0.00 SOLV O ATOM 23713 H1 TIP3 7228 1.416 64.452 44.127 1.00 0.00 SOLV H ATOM 23714 H2 TIP3 7228 0.228 63.651 43.629 1.00 0.00 SOLV H ATOM 23715 OH2 TIP3 7229 2.017 65.648 45.727 1.00 0.00 SOLV O ATOM 23716 H1 TIP3 7229 2.226 64.785 46.128 1.00 0.00 SOLV H ATOM 23717 H2 TIP3 7229 2.681 66.227 46.153 1.00 0.00 SOLV H ATOM 23718 OH2 TIP3 7230 9.347 68.013 49.000 1.00 0.00 SOLV O ATOM 23719 H1 TIP3 7230 9.834 67.254 48.619 1.00 0.00 SOLV H ATOM 23720 H2 TIP3 7230 10.058 68.333 49.601 1.00 0.00 SOLV H ATOM 23721 OH2 TIP3 7231 18.038 59.856 49.635 1.00 0.00 SOLV O ATOM 23722 H1 TIP3 7231 18.312 60.554 50.260 1.00 0.00 SOLV H ATOM 23723 H2 TIP3 7231 18.565 60.091 48.848 1.00 0.00 SOLV H ATOM 23724 OH2 TIP3 7232 12.374 62.705 48.832 1.00 0.00 SOLV O ATOM 23725 H1 TIP3 7232 12.642 61.775 48.959 1.00 0.00 SOLV H ATOM 23726 H2 TIP3 7232 12.274 62.742 47.862 1.00 0.00 SOLV H ATOM 23727 OH2 TIP3 7233 5.805 60.768 46.206 1.00 0.00 SOLV O ATOM 23728 H1 TIP3 7233 5.971 61.616 45.744 1.00 0.00 SOLV H ATOM 23729 H2 TIP3 7233 5.332 60.276 45.505 1.00 0.00 SOLV H ATOM 23730 OH2 TIP3 7234 13.571 61.111 44.472 1.00 0.00 SOLV O ATOM 23731 H1 TIP3 7234 14.055 60.732 45.242 1.00 0.00 SOLV H ATOM 23732 H2 TIP3 7234 14.321 61.477 43.960 1.00 0.00 SOLV H ATOM 23733 OH2 TIP3 7235 2.444 63.170 46.843 1.00 0.00 SOLV O ATOM 23734 H1 TIP3 7235 2.970 62.644 47.479 1.00 0.00 SOLV H ATOM 23735 H2 TIP3 7235 2.780 62.785 46.003 1.00 0.00 SOLV H ATOM 23736 OH2 TIP3 7236 7.207 64.632 46.547 1.00 0.00 SOLV O ATOM 23737 H1 TIP3 7236 8.096 64.278 46.770 1.00 0.00 SOLV H ATOM 23738 H2 TIP3 7236 6.910 63.986 45.869 1.00 0.00 SOLV H ATOM 23739 OH2 TIP3 7237 18.529 61.432 51.947 1.00 0.00 SOLV O ATOM 23740 H1 TIP3 7237 17.829 62.066 51.688 1.00 0.00 SOLV H ATOM 23741 H2 TIP3 7237 18.730 61.725 52.856 1.00 0.00 SOLV H ATOM 23742 OH2 TIP3 7238 4.559 59.769 50.327 1.00 0.00 SOLV O ATOM 23743 H1 TIP3 7238 4.239 60.337 49.599 1.00 0.00 SOLV H ATOM 23744 H2 TIP3 7238 3.843 59.899 50.979 1.00 0.00 SOLV H ATOM 23745 OH2 TIP3 7239 7.008 67.527 50.193 1.00 0.00 SOLV O ATOM 23746 H1 TIP3 7239 6.446 68.251 49.860 1.00 0.00 SOLV H ATOM 23747 H2 TIP3 7239 7.876 67.766 49.790 1.00 0.00 SOLV H ATOM 23748 OH2 TIP3 7240 14.894 60.466 46.768 1.00 0.00 SOLV O ATOM 23749 H1 TIP3 7240 14.410 60.014 47.474 1.00 0.00 SOLV H ATOM 23750 H2 TIP3 7240 15.477 61.060 47.284 1.00 0.00 SOLV H ATOM 23751 OH2 TIP3 7241 4.098 61.478 48.229 1.00 0.00 SOLV O ATOM 23752 H1 TIP3 7241 4.712 62.026 48.771 1.00 0.00 SOLV H ATOM 23753 H2 TIP3 7241 4.731 61.151 47.545 1.00 0.00 SOLV H ATOM 23754 OH2 TIP3 7242 15.473 58.905 50.418 1.00 0.00 SOLV O ATOM 23755 H1 TIP3 7242 14.789 59.432 49.975 1.00 0.00 SOLV H ATOM 23756 H2 TIP3 7242 16.297 59.260 50.022 1.00 0.00 SOLV H ATOM 23757 OH2 TIP3 7243 8.131 56.871 47.711 1.00 0.00 SOLV O ATOM 23758 H1 TIP3 7243 7.795 55.953 47.707 1.00 0.00 SOLV H ATOM 23759 H2 TIP3 7243 7.351 57.342 48.076 1.00 0.00 SOLV H ATOM 23760 OH2 TIP3 7244 17.974 65.334 50.674 1.00 0.00 SOLV O ATOM 23761 H1 TIP3 7244 17.286 66.029 50.745 1.00 0.00 SOLV H ATOM 23762 H2 TIP3 7244 18.541 65.722 49.970 1.00 0.00 SOLV H ATOM 23763 OH2 TIP3 7245 14.212 65.709 43.253 1.00 0.00 SOLV O ATOM 23764 H1 TIP3 7245 13.429 65.926 43.799 1.00 0.00 SOLV H ATOM 23765 H2 TIP3 7245 14.862 65.397 43.914 1.00 0.00 SOLV H ATOM 23766 OH2 TIP3 7246 13.911 64.111 52.486 1.00 0.00 SOLV O ATOM 23767 H1 TIP3 7246 13.893 64.791 53.192 1.00 0.00 SOLV H ATOM 23768 H2 TIP3 7246 13.257 64.480 51.863 1.00 0.00 SOLV H ATOM 23769 OH2 TIP3 7247 5.566 66.531 45.350 1.00 0.00 SOLV O ATOM 23770 H1 TIP3 7247 5.304 66.205 44.456 1.00 0.00 SOLV H ATOM 23771 H2 TIP3 7247 6.147 65.812 45.670 1.00 0.00 SOLV H ATOM 23772 OH2 TIP3 7248 5.817 65.482 48.753 1.00 0.00 SOLV O ATOM 23773 H1 TIP3 7248 6.360 65.227 47.970 1.00 0.00 SOLV H ATOM 23774 H2 TIP3 7248 6.413 66.105 49.217 1.00 0.00 SOLV H ATOM 23775 OH2 TIP3 7249 3.923 65.741 52.778 1.00 0.00 SOLV O ATOM 23776 H1 TIP3 7249 4.005 66.477 53.427 1.00 0.00 SOLV H ATOM 23777 H2 TIP3 7249 2.950 65.708 52.677 1.00 0.00 SOLV H ATOM 23778 OH2 TIP3 7250 16.635 56.886 40.689 1.00 0.00 SOLV O ATOM 23779 H1 TIP3 7250 15.771 57.212 41.013 1.00 0.00 SOLV H ATOM 23780 H2 TIP3 7250 17.056 57.730 40.415 1.00 0.00 SOLV H ATOM 23781 OH2 TIP3 7251 4.649 65.803 42.863 1.00 0.00 SOLV O ATOM 23782 H1 TIP3 7251 4.316 66.441 42.198 1.00 0.00 SOLV H ATOM 23783 H2 TIP3 7251 4.242 64.987 42.557 1.00 0.00 SOLV H ATOM 23784 OH2 TIP3 7252 1.195 68.258 52.110 1.00 0.00 SOLV O ATOM 23785 H1 TIP3 7252 1.578 68.167 51.227 1.00 0.00 SOLV H ATOM 23786 H2 TIP3 7252 1.156 67.325 52.397 1.00 0.00 SOLV H ATOM 23787 OH2 TIP3 7253 15.755 62.943 54.644 1.00 0.00 SOLV O ATOM 23788 H1 TIP3 7253 15.106 63.290 54.015 1.00 0.00 SOLV H ATOM 23789 H2 TIP3 7253 15.809 62.003 54.375 1.00 0.00 SOLV H ATOM 23790 OH2 TIP3 7254 5.675 57.884 48.635 1.00 0.00 SOLV O ATOM 23791 H1 TIP3 7254 4.865 57.854 48.087 1.00 0.00 SOLV H ATOM 23792 H2 TIP3 7254 5.402 58.564 49.286 1.00 0.00 SOLV H ATOM 23793 OH2 TIP3 7255 10.479 57.561 52.012 1.00 0.00 SOLV O ATOM 23794 H1 TIP3 7255 10.935 57.057 52.719 1.00 0.00 SOLV H ATOM 23795 H2 TIP3 7255 9.535 57.460 52.250 1.00 0.00 SOLV H ATOM 23796 OH2 TIP3 7256 13.434 61.400 52.734 1.00 0.00 SOLV O ATOM 23797 H1 TIP3 7256 12.744 61.344 53.435 1.00 0.00 SOLV H ATOM 23798 H2 TIP3 7256 13.500 62.365 52.582 1.00 0.00 SOLV H ATOM 23799 OH2 TIP3 7257 14.210 65.761 38.336 1.00 0.00 SOLV O ATOM 23800 H1 TIP3 7257 14.343 65.841 37.373 1.00 0.00 SOLV H ATOM 23801 H2 TIP3 7257 14.973 66.248 38.690 1.00 0.00 SOLV H ATOM 23802 OH2 TIP3 7258 9.918 60.002 39.343 1.00 0.00 SOLV O ATOM 23803 H1 TIP3 7258 9.334 59.888 40.119 1.00 0.00 SOLV H ATOM 23804 H2 TIP3 7258 9.572 59.295 38.763 1.00 0.00 SOLV H ATOM 23805 OH2 TIP3 7259 5.747 62.978 49.853 1.00 0.00 SOLV O ATOM 23806 H1 TIP3 7259 5.085 63.088 50.566 1.00 0.00 SOLV H ATOM 23807 H2 TIP3 7259 5.786 63.889 49.489 1.00 0.00 SOLV H ATOM 23808 OH2 TIP3 7260 5.973 63.037 44.714 1.00 0.00 SOLV O ATOM 23809 H1 TIP3 7260 5.001 62.924 44.622 1.00 0.00 SOLV H ATOM 23810 H2 TIP3 7260 6.251 62.839 43.793 1.00 0.00 SOLV H ATOM 23811 OH2 TIP3 7261 11.219 63.402 43.390 1.00 0.00 SOLV O ATOM 23812 H1 TIP3 7261 10.827 63.909 42.634 1.00 0.00 SOLV H ATOM 23813 H2 TIP3 7261 12.004 63.049 42.930 1.00 0.00 SOLV H ATOM 23814 OH2 TIP3 7262 10.396 63.567 54.679 1.00 0.00 SOLV O ATOM 23815 H1 TIP3 7262 9.986 62.782 55.101 1.00 0.00 SOLV H ATOM 23816 H2 TIP3 7262 11.219 63.644 55.197 1.00 0.00 SOLV H ATOM 23817 OH2 TIP3 7263 12.133 62.914 46.078 1.00 0.00 SOLV O ATOM 23818 H1 TIP3 7263 11.756 63.431 45.335 1.00 0.00 SOLV H ATOM 23819 H2 TIP3 7263 12.546 62.195 45.550 1.00 0.00 SOLV H ATOM 23820 OH2 TIP3 7264 3.503 63.145 51.436 1.00 0.00 SOLV O ATOM 23821 H1 TIP3 7264 3.677 63.653 52.246 1.00 0.00 SOLV H ATOM 23822 H2 TIP3 7264 3.208 62.281 51.782 1.00 0.00 SOLV H ATOM 23823 OH2 TIP3 7265 6.780 60.372 38.062 1.00 0.00 SOLV O ATOM 23824 H1 TIP3 7265 6.452 60.647 38.939 1.00 0.00 SOLV H ATOM 23825 H2 TIP3 7265 6.370 61.021 37.472 1.00 0.00 SOLV H ATOM 23826 OH2 TIP3 7266 0.608 60.285 45.037 1.00 0.00 SOLV O ATOM 23827 H1 TIP3 7266 0.879 60.448 45.966 1.00 0.00 SOLV H ATOM 23828 H2 TIP3 7266 1.075 59.452 44.892 1.00 0.00 SOLV H ATOM 23829 OH2 TIP3 7267 1.819 61.842 40.281 1.00 0.00 SOLV O ATOM 23830 H1 TIP3 7267 2.316 62.361 40.933 1.00 0.00 SOLV H ATOM 23831 H2 TIP3 7267 1.076 61.516 40.829 1.00 0.00 SOLV H ATOM 23832 OH2 TIP3 7268 11.434 64.405 50.696 1.00 0.00 SOLV O ATOM 23833 H1 TIP3 7268 11.850 63.769 50.067 1.00 0.00 SOLV H ATOM 23834 H2 TIP3 7268 10.862 63.792 51.203 1.00 0.00 SOLV H ATOM 23835 OH2 TIP3 7269 8.661 60.480 45.674 1.00 0.00 SOLV O ATOM 23836 H1 TIP3 7269 7.765 60.507 46.059 1.00 0.00 SOLV H ATOM 23837 H2 TIP3 7269 9.187 60.075 46.392 1.00 0.00 SOLV H ATOM 23838 OH2 TIP3 7270 3.411 62.166 44.497 1.00 0.00 SOLV O ATOM 23839 H1 TIP3 7270 2.578 62.435 44.046 1.00 0.00 SOLV H ATOM 23840 H2 TIP3 7270 3.575 61.259 44.160 1.00 0.00 SOLV H ATOM 23841 OH2 TIP3 7271 6.551 62.243 42.152 1.00 0.00 SOLV O ATOM 23842 H1 TIP3 7271 7.508 62.179 42.377 1.00 0.00 SOLV H ATOM 23843 H2 TIP3 7271 6.570 62.717 41.305 1.00 0.00 SOLV H ATOM 23844 OH2 TIP3 7272 12.781 59.967 48.927 1.00 0.00 SOLV O ATOM 23845 H1 TIP3 7272 12.269 59.975 49.768 1.00 0.00 SOLV H ATOM 23846 H2 TIP3 7272 12.119 59.593 48.322 1.00 0.00 SOLV H ATOM 23847 OH2 TIP3 7273 5.733 63.058 39.374 1.00 0.00 SOLV O ATOM 23848 H1 TIP3 7273 5.219 63.725 38.912 1.00 0.00 SOLV H ATOM 23849 H2 TIP3 7273 6.633 63.425 39.212 1.00 0.00 SOLV H ATOM 23850 OH2 TIP3 7274 3.872 67.564 54.875 1.00 0.00 SOLV O ATOM 23851 H1 TIP3 7274 4.555 67.634 55.569 1.00 0.00 SOLV H ATOM 23852 H2 TIP3 7274 3.074 67.792 55.378 1.00 0.00 SOLV H ATOM 23853 OH2 TIP3 7275 9.515 63.430 47.517 1.00 0.00 SOLV O ATOM 23854 H1 TIP3 7275 10.274 62.999 47.091 1.00 0.00 SOLV H ATOM 23855 H2 TIP3 7275 9.251 62.776 48.191 1.00 0.00 SOLV H ATOM 23856 OH2 TIP3 7276 4.428 59.584 44.074 1.00 0.00 SOLV O ATOM 23857 H1 TIP3 7276 3.939 58.777 44.342 1.00 0.00 SOLV H ATOM 23858 H2 TIP3 7276 5.080 59.222 43.456 1.00 0.00 SOLV H ATOM 23859 OH2 TIP3 7277 8.318 61.945 49.955 1.00 0.00 SOLV O ATOM 23860 H1 TIP3 7277 7.464 62.422 49.988 1.00 0.00 SOLV H ATOM 23861 H2 TIP3 7277 8.817 62.327 50.706 1.00 0.00 SOLV H ATOM 23862 OH2 TIP3 7278 8.470 68.469 41.516 1.00 0.00 SOLV O ATOM 23863 H1 TIP3 7278 8.795 67.658 41.107 1.00 0.00 SOLV H ATOM 23864 H2 TIP3 7278 8.275 68.180 42.427 1.00 0.00 SOLV H ATOM 23865 OH2 TIP3 7279 15.925 67.232 50.486 1.00 0.00 SOLV O ATOM 23866 H1 TIP3 7279 16.496 67.786 49.914 1.00 0.00 SOLV H ATOM 23867 H2 TIP3 7279 15.209 66.952 49.880 1.00 0.00 SOLV H ATOM 23868 OH2 TIP3 7280 12.498 60.683 40.020 1.00 0.00 SOLV O ATOM 23869 H1 TIP3 7280 11.545 60.685 39.776 1.00 0.00 SOLV H ATOM 23870 H2 TIP3 7280 12.618 61.555 40.451 1.00 0.00 SOLV H ATOM 23871 OH2 TIP3 7281 10.603 67.862 53.236 1.00 0.00 SOLV O ATOM 23872 H1 TIP3 7281 10.905 67.390 54.041 1.00 0.00 SOLV H ATOM 23873 H2 TIP3 7281 9.775 68.245 53.551 1.00 0.00 SOLV H ATOM 23874 OH2 TIP3 7282 13.256 62.877 41.627 1.00 0.00 SOLV O ATOM 23875 H1 TIP3 7282 14.160 62.934 41.977 1.00 0.00 SOLV H ATOM 23876 H2 TIP3 7282 13.091 63.790 41.338 1.00 0.00 SOLV H ATOM 23877 OH2 TIP3 7283 3.862 67.238 47.328 1.00 0.00 SOLV O ATOM 23878 H1 TIP3 7283 4.537 67.196 46.614 1.00 0.00 SOLV H ATOM 23879 H2 TIP3 7283 4.291 66.674 47.992 1.00 0.00 SOLV H ATOM 23880 OH2 TIP3 7284 1.165 65.523 52.637 1.00 0.00 SOLV O ATOM 23881 H1 TIP3 7284 0.975 65.158 53.520 1.00 0.00 SOLV H ATOM 23882 H2 TIP3 7284 0.471 65.082 52.089 1.00 0.00 SOLV H ATOM 23883 OH2 TIP3 7285 8.243 65.260 54.965 1.00 0.00 SOLV O ATOM 23884 H1 TIP3 7285 7.712 64.858 54.260 1.00 0.00 SOLV H ATOM 23885 H2 TIP3 7285 9.120 64.846 54.798 1.00 0.00 SOLV H ATOM 23886 OH2 TIP3 7286 18.001 63.110 41.318 1.00 0.00 SOLV O ATOM 23887 H1 TIP3 7286 17.576 62.899 40.453 1.00 0.00 SOLV H ATOM 23888 H2 TIP3 7286 18.192 64.057 41.126 1.00 0.00 SOLV H ATOM 23889 OH2 TIP3 7287 18.360 68.469 54.056 1.00 0.00 SOLV O ATOM 23890 H1 TIP3 7287 17.750 69.188 53.785 1.00 0.00 SOLV H ATOM 23891 H2 TIP3 7287 18.780 68.306 53.178 1.00 0.00 SOLV H ATOM 23892 OH2 TIP3 7288 13.786 66.279 48.834 1.00 0.00 SOLV O ATOM 23893 H1 TIP3 7288 12.825 66.258 48.650 1.00 0.00 SOLV H ATOM 23894 H2 TIP3 7288 14.079 65.485 48.338 1.00 0.00 SOLV H ATOM 23895 OH2 TIP3 7289 2.139 65.610 39.319 1.00 0.00 SOLV O ATOM 23896 H1 TIP3 7289 2.803 66.026 39.908 1.00 0.00 SOLV H ATOM 23897 H2 TIP3 7289 1.459 66.291 39.338 1.00 0.00 SOLV H ATOM 23898 OH2 TIP3 7290 7.785 67.819 44.131 1.00 0.00 SOLV O ATOM 23899 H1 TIP3 7290 7.666 68.764 44.344 1.00 0.00 SOLV H ATOM 23900 H2 TIP3 7290 7.075 67.418 44.661 1.00 0.00 SOLV H ATOM 23901 OH2 TIP3 7291 11.536 68.106 50.618 1.00 0.00 SOLV O ATOM 23902 H1 TIP3 7291 11.400 67.752 51.519 1.00 0.00 SOLV H ATOM 23903 H2 TIP3 7291 12.417 67.778 50.394 1.00 0.00 SOLV H ATOM 23904 OH2 TIP3 7292 2.488 60.479 52.089 1.00 0.00 SOLV O ATOM 23905 H1 TIP3 7292 1.543 60.669 51.994 1.00 0.00 SOLV H ATOM 23906 H2 TIP3 7292 2.465 59.638 52.566 1.00 0.00 SOLV H ATOM 23907 OH2 TIP3 7293 14.972 67.908 41.815 1.00 0.00 SOLV O ATOM 23908 H1 TIP3 7293 14.586 67.100 42.221 1.00 0.00 SOLV H ATOM 23909 H2 TIP3 7293 15.919 67.646 41.802 1.00 0.00 SOLV H ATOM 23910 OH2 TIP3 7294 3.552 67.387 40.866 1.00 0.00 SOLV O ATOM 23911 H1 TIP3 7294 2.955 68.165 40.739 1.00 0.00 SOLV H ATOM 23912 H2 TIP3 7294 4.372 67.721 40.476 1.00 0.00 SOLV H ATOM 23913 OH2 TIP3 7295 11.429 60.077 51.318 1.00 0.00 SOLV O ATOM 23914 H1 TIP3 7295 12.164 60.274 51.929 1.00 0.00 SOLV H ATOM 23915 H2 TIP3 7295 11.099 59.212 51.646 1.00 0.00 SOLV H ATOM 23916 OH2 TIP3 7296 12.217 59.445 42.608 1.00 0.00 SOLV O ATOM 23917 H1 TIP3 7296 12.326 59.878 41.736 1.00 0.00 SOLV H ATOM 23918 H2 TIP3 7296 12.633 60.102 43.207 1.00 0.00 SOLV H ATOM 23919 OH2 TIP3 7297 9.029 61.724 43.231 1.00 0.00 SOLV O ATOM 23920 H1 TIP3 7297 9.759 62.383 43.255 1.00 0.00 SOLV H ATOM 23921 H2 TIP3 7297 8.980 61.453 44.172 1.00 0.00 SOLV H ATOM 23922 OH2 TIP3 7298 9.984 62.584 52.099 1.00 0.00 SOLV O ATOM 23923 H1 TIP3 7298 10.142 62.871 53.025 1.00 0.00 SOLV H ATOM 23924 H2 TIP3 7298 10.374 61.690 52.085 1.00 0.00 SOLV H ATOM 23925 OH2 TIP3 7299 9.868 58.446 43.735 1.00 0.00 SOLV O ATOM 23926 H1 TIP3 7299 9.745 59.109 44.439 1.00 0.00 SOLV H ATOM 23927 H2 TIP3 7299 10.715 58.763 43.340 1.00 0.00 SOLV H ATOM 23928 OH2 TIP3 7300 5.857 59.954 40.760 1.00 0.00 SOLV O ATOM 23929 H1 TIP3 7300 5.915 60.776 41.288 1.00 0.00 SOLV H ATOM 23930 H2 TIP3 7300 6.748 59.589 40.949 1.00 0.00 SOLV H ATOM 23931 OH2 TIP3 7301 15.907 60.484 53.363 1.00 0.00 SOLV O ATOM 23932 H1 TIP3 7301 14.970 60.619 53.102 1.00 0.00 SOLV H ATOM 23933 H2 TIP3 7301 16.320 60.358 52.498 1.00 0.00 SOLV H ATOM 23934 OH2 TIP3 7302 14.521 64.155 47.211 1.00 0.00 SOLV O ATOM 23935 H1 TIP3 7302 13.717 63.690 46.915 1.00 0.00 SOLV H ATOM 23936 H2 TIP3 7302 15.005 63.455 47.702 1.00 0.00 SOLV H ATOM 23937 OH2 TIP3 7303 3.094 57.749 47.532 1.00 0.00 SOLV O ATOM 23938 H1 TIP3 7303 3.052 57.556 46.574 1.00 0.00 SOLV H ATOM 23939 H2 TIP3 7303 2.775 56.901 47.914 1.00 0.00 SOLV H ATOM 23940 OH2 TIP3 7304 1.103 67.739 55.776 1.00 0.00 SOLV O ATOM 23941 H1 TIP3 7304 1.252 66.841 55.417 1.00 0.00 SOLV H ATOM 23942 H2 TIP3 7304 0.659 68.192 55.047 1.00 0.00 SOLV H ATOM 23943 OH2 TIP3 7305 5.623 67.772 38.281 1.00 0.00 SOLV O ATOM 23944 H1 TIP3 7305 5.898 67.241 39.061 1.00 0.00 SOLV H ATOM 23945 H2 TIP3 7305 6.460 67.770 37.764 1.00 0.00 SOLV H ATOM 23946 OH2 TIP3 7306 7.484 67.901 55.132 1.00 0.00 SOLV O ATOM 23947 H1 TIP3 7306 7.414 68.117 54.195 1.00 0.00 SOLV H ATOM 23948 H2 TIP3 7306 7.886 67.007 55.122 1.00 0.00 SOLV H ATOM 23949 OH2 TIP3 7307 13.660 67.942 52.973 1.00 0.00 SOLV O ATOM 23950 H1 TIP3 7307 14.444 68.327 52.554 1.00 0.00 SOLV H ATOM 23951 H2 TIP3 7307 13.047 68.688 53.008 1.00 0.00 SOLV H ATOM 23952 OH2 TIP3 7308 1.858 65.152 55.449 1.00 0.00 SOLV O ATOM 23953 H1 TIP3 7308 2.607 64.593 55.216 1.00 0.00 SOLV H ATOM 23954 H2 TIP3 7308 2.018 65.294 56.403 1.00 0.00 SOLV H ATOM 23955 OH2 TIP3 7309 6.420 66.226 40.382 1.00 0.00 SOLV O ATOM 23956 H1 TIP3 7309 6.566 66.107 41.333 1.00 0.00 SOLV H ATOM 23957 H2 TIP3 7309 7.114 65.650 40.004 1.00 0.00 SOLV H ATOM 23958 OH2 TIP3 7310 6.121 64.109 52.858 1.00 0.00 SOLV O ATOM 23959 H1 TIP3 7310 5.436 64.806 52.775 1.00 0.00 SOLV H ATOM 23960 H2 TIP3 7310 6.870 64.516 52.363 1.00 0.00 SOLV H ATOM 23961 OH2 TIP3 7311 7.879 64.466 38.756 1.00 0.00 SOLV O ATOM 23962 H1 TIP3 7311 8.325 64.833 37.969 1.00 0.00 SOLV H ATOM 23963 H2 TIP3 7311 8.628 64.426 39.407 1.00 0.00 SOLV H ATOM 23964 OH2 TIP3 7312 11.115 66.569 55.758 1.00 0.00 SOLV O ATOM 23965 H1 TIP3 7312 12.038 66.630 56.030 1.00 0.00 SOLV H ATOM 23966 H2 TIP3 7312 10.731 66.064 56.494 1.00 0.00 SOLV H ATOM 23967 OH2 TIP3 7313 17.055 67.003 38.435 1.00 0.00 SOLV O ATOM 23968 H1 TIP3 7313 17.009 66.990 37.462 1.00 0.00 SOLV H ATOM 23969 H2 TIP3 7313 17.182 67.949 38.640 1.00 0.00 SOLV H ATOM 23970 OH2 TIP3 7314 6.659 61.675 53.867 1.00 0.00 SOLV O ATOM 23971 H1 TIP3 7314 6.770 61.054 53.117 1.00 0.00 SOLV H ATOM 23972 H2 TIP3 7314 6.495 62.525 53.395 1.00 0.00 SOLV H ATOM 23973 OH2 TIP3 7315 6.969 60.007 51.613 1.00 0.00 SOLV O ATOM 23974 H1 TIP3 7315 7.535 60.487 50.978 1.00 0.00 SOLV H ATOM 23975 H2 TIP3 7315 6.118 59.964 51.127 1.00 0.00 SOLV H ATOM 23976 OH2 TIP3 7316 8.142 65.360 51.663 1.00 0.00 SOLV O ATOM 23977 H1 TIP3 7316 9.105 65.395 51.577 1.00 0.00 SOLV H ATOM 23978 H2 TIP3 7316 7.848 66.164 51.196 1.00 0.00 SOLV H ATOM 23979 OH2 TIP3 7317 12.661 63.166 56.467 1.00 0.00 SOLV O ATOM 23980 H1 TIP3 7317 13.075 62.293 56.412 1.00 0.00 SOLV H ATOM 23981 H2 TIP3 7317 13.429 63.756 56.436 1.00 0.00 SOLV H ATOM 23982 OH2 TIP3 7318 14.155 65.884 54.645 1.00 0.00 SOLV O ATOM 23983 H1 TIP3 7318 13.868 66.658 54.104 1.00 0.00 SOLV H ATOM 23984 H2 TIP3 7318 15.133 66.011 54.603 1.00 0.00 SOLV H ATOM 23985 OH2 TIP3 7319 4.986 62.347 56.062 1.00 0.00 SOLV O ATOM 23986 H1 TIP3 7319 4.256 61.724 55.871 1.00 0.00 SOLV H ATOM 23987 H2 TIP3 7319 5.514 62.282 55.240 1.00 0.00 SOLV H ATOM 23988 OH2 TIP3 7320 7.667 57.279 51.999 1.00 0.00 SOLV O ATOM 23989 H1 TIP3 7320 7.358 58.197 51.857 1.00 0.00 SOLV H ATOM 23990 H2 TIP3 7320 6.957 56.761 51.563 1.00 0.00 SOLV H ATOM 23991 OH2 TIP3 7321 8.947 61.361 55.451 1.00 0.00 SOLV O ATOM 23992 H1 TIP3 7321 8.487 61.065 56.259 1.00 0.00 SOLV H ATOM 23993 H2 TIP3 7321 8.177 61.429 54.848 1.00 0.00 SOLV H ATOM 23994 OH2 TIP3 7322 11.551 60.774 54.558 1.00 0.00 SOLV O ATOM 23995 H1 TIP3 7322 10.667 60.805 54.976 1.00 0.00 SOLV H ATOM 23996 H2 TIP3 7322 12.076 60.275 55.216 1.00 0.00 SOLV H ATOM 23997 OH2 TIP3 7323 13.291 59.557 56.392 1.00 0.00 SOLV O ATOM 23998 H1 TIP3 7323 13.243 58.581 56.299 1.00 0.00 SOLV H ATOM 23999 H2 TIP3 7323 13.019 59.694 57.323 1.00 0.00 SOLV H ATOM 24000 OH2 TIP3 7324 3.109 60.326 55.675 1.00 0.00 SOLV O ATOM 24001 H1 TIP3 7324 3.528 59.571 55.235 1.00 0.00 SOLV H ATOM 24002 H2 TIP3 7324 3.100 59.999 56.598 1.00 0.00 SOLV H ATOM 24003 OH2 TIP3 7325 7.902 56.708 54.654 1.00 0.00 SOLV O ATOM 24004 H1 TIP3 7325 8.399 55.873 54.557 1.00 0.00 SOLV H ATOM 24005 H2 TIP3 7325 7.734 56.923 53.714 1.00 0.00 SOLV H ATOM 24006 OH2 TIP3 7326 8.329 58.282 56.823 1.00 0.00 SOLV O ATOM 24007 H1 TIP3 7326 8.230 57.754 55.996 1.00 0.00 SOLV H ATOM 24008 H2 TIP3 7326 7.679 59.000 56.681 1.00 0.00 SOLV H ATOM 24009 OH2 TIP3 7327 17.651 67.395 42.177 1.00 0.00 SOLV O ATOM 24010 H1 TIP3 7327 18.197 68.190 42.160 1.00 0.00 SOLV H ATOM 24011 H2 TIP3 7327 17.975 66.905 42.966 1.00 0.00 SOLV H ATOM 24012 OH2 TIP3 7328 18.380 65.656 44.214 1.00 0.00 SOLV O ATOM 24013 H1 TIP3 7328 17.549 65.256 44.560 1.00 0.00 SOLV H ATOM 24014 H2 TIP3 7328 18.930 65.750 45.021 1.00 0.00 SOLV H ATOM 24015 OH2 TIP3 7329 17.900 68.593 49.233 1.00 0.00 SOLV O ATOM 24016 H1 TIP3 7329 18.524 68.050 48.717 1.00 0.00 SOLV H ATOM 24017 H2 TIP3 7329 17.507 69.191 48.562 1.00 0.00 SOLV H ATOM 24018 OH2 TIP3 7330 18.438 65.601 40.312 1.00 0.00 SOLV O ATOM 24019 H1 TIP3 7330 17.931 65.948 39.543 1.00 0.00 SOLV H ATOM 24020 H2 TIP3 7330 18.126 66.240 40.990 1.00 0.00 SOLV H ATOM 24021 OH2 TIP3 7331 16.989 62.785 38.821 1.00 0.00 SOLV O ATOM 24022 H1 TIP3 7331 16.620 63.420 38.194 1.00 0.00 SOLV H ATOM 24023 H2 TIP3 7331 16.717 61.940 38.407 1.00 0.00 SOLV H ATOM 24024 OH2 TIP3 7332 16.019 64.362 44.899 1.00 0.00 SOLV O ATOM 24025 H1 TIP3 7332 15.911 63.494 44.469 1.00 0.00 SOLV H ATOM 24026 H2 TIP3 7332 15.552 64.248 45.752 1.00 0.00 SOLV H ATOM 24027 OH2 TIP3 7333 1.168 67.269 48.976 1.00 0.00 SOLV O ATOM 24028 H1 TIP3 7333 1.005 66.939 48.083 1.00 0.00 SOLV H ATOM 24029 H2 TIP3 7333 1.897 66.684 49.260 1.00 0.00 SOLV H ATOM 24030 OH2 TIP3 7334 16.813 66.319 54.583 1.00 0.00 SOLV O ATOM 24031 H1 TIP3 7334 17.429 65.569 54.446 1.00 0.00 SOLV H ATOM 24032 H2 TIP3 7334 17.340 67.075 54.244 1.00 0.00 SOLV H ATOM 24033 OH2 TIP3 7335 18.262 63.999 54.394 1.00 0.00 SOLV O ATOM 24034 H1 TIP3 7335 17.377 63.603 54.543 1.00 0.00 SOLV H ATOM 24035 H2 TIP3 7335 18.835 63.246 54.648 1.00 0.00 SOLV H ATOM 24036 OH2 TIP3 7336 16.128 60.368 37.802 1.00 0.00 SOLV O ATOM 24037 H1 TIP3 7336 16.517 59.845 38.531 1.00 0.00 SOLV H ATOM 24038 H2 TIP3 7336 15.219 60.026 37.733 1.00 0.00 SOLV H ATOM 24039 OH2 TIP3 7337 15.835 62.020 43.104 1.00 0.00 SOLV O ATOM 24040 H1 TIP3 7337 16.063 61.061 43.075 1.00 0.00 SOLV H ATOM 24041 H2 TIP3 7337 16.563 62.383 42.566 1.00 0.00 SOLV H ATOM 24042 OH2 TIP3 7338 16.092 62.270 48.481 1.00 0.00 SOLV O ATOM 24043 H1 TIP3 7338 17.053 62.413 48.312 1.00 0.00 SOLV H ATOM 24044 H2 TIP3 7338 16.084 62.451 49.441 1.00 0.00 SOLV H ATOM 24045 OH2 TIP3 7339 16.418 63.134 51.154 1.00 0.00 SOLV O ATOM 24046 H1 TIP3 7339 15.618 63.535 51.539 1.00 0.00 SOLV H ATOM 24047 H2 TIP3 7339 16.972 63.930 50.987 1.00 0.00 SOLV H ATOM 24048 OH2 TIP3 7340 0.986 62.134 55.344 1.00 0.00 SOLV O ATOM 24049 H1 TIP3 7340 1.728 61.496 55.374 1.00 0.00 SOLV H ATOM 24050 H2 TIP3 7340 0.268 61.568 55.006 1.00 0.00 SOLV H ATOM 24051 OH2 TIP3 7341 18.614 57.372 56.524 1.00 0.00 SOLV O ATOM 24052 H1 TIP3 7341 19.248 56.735 56.124 1.00 0.00 SOLV H ATOM 24053 H2 TIP3 7341 18.561 58.053 55.817 1.00 0.00 SOLV H ATOM 24054 OH2 TIP3 7342 16.354 59.297 43.062 1.00 0.00 SOLV O ATOM 24055 H1 TIP3 7342 16.542 58.856 43.916 1.00 0.00 SOLV H ATOM 24056 H2 TIP3 7342 15.664 58.704 42.699 1.00 0.00 SOLV H ATOM 24057 OH2 TIP3 7343 1.611 60.109 47.575 1.00 0.00 SOLV O ATOM 24058 H1 TIP3 7343 2.017 59.225 47.707 1.00 0.00 SOLV H ATOM 24059 H2 TIP3 7343 2.343 60.675 47.867 1.00 0.00 SOLV H ATOM 24060 OH2 TIP3 7344 0.621 64.417 48.471 1.00 0.00 SOLV O ATOM 24061 H1 TIP3 7344 1.200 63.991 47.810 1.00 0.00 SOLV H ATOM 24062 H2 TIP3 7344 1.297 64.808 49.061 1.00 0.00 SOLV H ATOM 24063 OH2 TIP3 7345 17.996 59.187 54.616 1.00 0.00 SOLV O ATOM 24064 H1 TIP3 7345 17.224 59.792 54.607 1.00 0.00 SOLV H ATOM 24065 H2 TIP3 7345 17.761 58.630 53.844 1.00 0.00 SOLV H ATOM 24066 OH2 TIP3 7346 17.869 59.108 39.657 1.00 0.00 SOLV O ATOM 24067 H1 TIP3 7346 18.349 58.537 39.022 1.00 0.00 SOLV H ATOM 24068 H2 TIP3 7346 18.579 59.703 39.978 1.00 0.00 SOLV H ATOM 24069 OH2 TIP3 7347 0.913 58.374 42.821 1.00 0.00 SOLV O ATOM 24070 H1 TIP3 7347 0.009 58.408 43.172 1.00 0.00 SOLV H ATOM 24071 H2 TIP3 7347 1.068 59.327 42.688 1.00 0.00 SOLV H ATOM 24072 OH2 TIP3 7348 0.595 57.991 50.778 1.00 0.00 SOLV O ATOM 24073 H1 TIP3 7348 0.013 57.490 51.370 1.00 0.00 SOLV H ATOM 24074 H2 TIP3 7348 0.167 58.858 50.775 1.00 0.00 SOLV H ATOM 24075 OH2 TIP3 7349 17.112 57.349 52.747 1.00 0.00 SOLV O ATOM 24076 H1 TIP3 7349 16.379 57.495 52.125 1.00 0.00 SOLV H ATOM 24077 H2 TIP3 7349 17.364 56.419 52.535 1.00 0.00 SOLV H ATOM 24078 OH2 TIP3 7350 10.436 58.811 47.104 1.00 0.00 SOLV O ATOM 24079 H1 TIP3 7350 9.866 58.047 47.292 1.00 0.00 SOLV H ATOM 24080 H2 TIP3 7350 11.254 58.386 46.769 1.00 0.00 SOLV H ATOM 24081 OH2 TIP3 7351 15.451 56.894 47.131 1.00 0.00 SOLV O ATOM 24082 H1 TIP3 7351 16.093 57.442 46.623 1.00 0.00 SOLV H ATOM 24083 H2 TIP3 7351 14.611 57.344 46.933 1.00 0.00 SOLV H ATOM 24084 OH2 TIP3 7352 17.185 58.019 45.364 1.00 0.00 SOLV O ATOM 24085 H1 TIP3 7352 17.916 57.430 45.076 1.00 0.00 SOLV H ATOM 24086 H2 TIP3 7352 17.704 58.842 45.534 1.00 0.00 SOLV H ATOM 24087 OH2 TIP3 7353 2.890 57.390 44.740 1.00 0.00 SOLV O ATOM 24088 H1 TIP3 7353 2.213 57.340 44.041 1.00 0.00 SOLV H ATOM 24089 H2 TIP3 7353 3.269 56.481 44.709 1.00 0.00 SOLV H ATOM 24090 OH2 TIP3 7354 1.931 56.952 40.625 1.00 0.00 SOLV O ATOM 24091 H1 TIP3 7354 2.312 57.616 40.035 1.00 0.00 SOLV H ATOM 24092 H2 TIP3 7354 1.609 57.486 41.380 1.00 0.00 SOLV H ATOM 24093 OH2 TIP3 7355 7.486 57.119 44.854 1.00 0.00 SOLV O ATOM 24094 H1 TIP3 7355 8.222 57.560 44.399 1.00 0.00 SOLV H ATOM 24095 H2 TIP3 7355 7.753 57.189 45.786 1.00 0.00 SOLV H ATOM 24096 OH2 TIP3 7356 12.780 57.564 46.264 1.00 0.00 SOLV O ATOM 24097 H1 TIP3 7356 13.103 57.314 45.387 1.00 0.00 SOLV H ATOM 24098 H2 TIP3 7356 12.475 56.695 46.615 1.00 0.00 SOLV H ATOM 24099 OH2 TIP3 7357 14.314 57.647 42.079 1.00 0.00 SOLV O ATOM 24100 H1 TIP3 7357 13.522 58.209 42.196 1.00 0.00 SOLV H ATOM 24101 H2 TIP3 7357 13.928 56.756 42.218 1.00 0.00 SOLV H ATOM 24102 OH2 TIP3 7358 3.857 59.254 38.974 1.00 0.00 SOLV O ATOM 24103 H1 TIP3 7358 4.323 58.656 38.348 1.00 0.00 SOLV H ATOM 24104 H2 TIP3 7358 4.586 59.434 39.615 1.00 0.00 SOLV H ATOM 24105 OH2 TIP3 7359 8.446 59.602 41.634 1.00 0.00 SOLV O ATOM 24106 H1 TIP3 7359 8.849 58.951 42.236 1.00 0.00 SOLV H ATOM 24107 H2 TIP3 7359 8.686 60.429 42.111 1.00 0.00 SOLV H ATOM 24108 OH2 TIP3 7360 4.580 57.405 56.131 1.00 0.00 SOLV O ATOM 24109 H1 TIP3 7360 5.427 56.992 55.903 1.00 0.00 SOLV H ATOM 24110 H2 TIP3 7360 3.990 56.630 56.125 1.00 0.00 SOLV H ATOM 24111 OH2 TIP3 7361 13.464 56.766 56.157 1.00 0.00 SOLV O ATOM 24112 H1 TIP3 7361 13.351 56.265 56.993 1.00 0.00 SOLV H ATOM 24113 H2 TIP3 7361 14.414 56.611 55.963 1.00 0.00 SOLV H ATOM 24114 OH2 TIP3 7362 30.770 66.730 44.677 1.00 0.00 SOLV O ATOM 24115 H1 TIP3 7362 30.199 67.459 44.956 1.00 0.00 SOLV H ATOM 24116 H2 TIP3 7362 30.238 66.348 43.948 1.00 0.00 SOLV H ATOM 24117 OH2 TIP3 7363 30.052 65.760 48.318 1.00 0.00 SOLV O ATOM 24118 H1 TIP3 7363 29.948 65.379 49.209 1.00 0.00 SOLV H ATOM 24119 H2 TIP3 7363 29.444 65.206 47.801 1.00 0.00 SOLV H ATOM 24120 OH2 TIP3 7364 21.899 65.454 49.902 1.00 0.00 SOLV O ATOM 24121 H1 TIP3 7364 21.978 64.607 50.376 1.00 0.00 SOLV H ATOM 24122 H2 TIP3 7364 22.790 65.818 50.023 1.00 0.00 SOLV H ATOM 24123 OH2 TIP3 7365 33.036 68.317 46.892 1.00 0.00 SOLV O ATOM 24124 H1 TIP3 7365 33.045 67.347 46.872 1.00 0.00 SOLV H ATOM 24125 H2 TIP3 7365 32.729 68.467 47.798 1.00 0.00 SOLV H ATOM 24126 OH2 TIP3 7366 19.797 63.279 43.415 1.00 0.00 SOLV O ATOM 24127 H1 TIP3 7366 19.447 64.118 43.764 1.00 0.00 SOLV H ATOM 24128 H2 TIP3 7366 19.161 63.119 42.691 1.00 0.00 SOLV H ATOM 24129 OH2 TIP3 7367 20.327 65.745 46.210 1.00 0.00 SOLV O ATOM 24130 H1 TIP3 7367 20.633 64.822 46.314 1.00 0.00 SOLV H ATOM 24131 H2 TIP3 7367 21.157 66.238 46.448 1.00 0.00 SOLV H ATOM 24132 OH2 TIP3 7368 28.273 68.059 49.280 1.00 0.00 SOLV O ATOM 24133 H1 TIP3 7368 28.447 67.797 48.367 1.00 0.00 SOLV H ATOM 24134 H2 TIP3 7368 29.168 68.276 49.609 1.00 0.00 SOLV H ATOM 24135 OH2 TIP3 7369 36.918 59.865 49.629 1.00 0.00 SOLV O ATOM 24136 H1 TIP3 7369 37.191 60.562 50.258 1.00 0.00 SOLV H ATOM 24137 H2 TIP3 7369 37.387 60.140 48.821 1.00 0.00 SOLV H ATOM 24138 OH2 TIP3 7370 31.300 62.708 48.881 1.00 0.00 SOLV O ATOM 24139 H1 TIP3 7370 31.512 61.758 48.961 1.00 0.00 SOLV H ATOM 24140 H2 TIP3 7370 31.147 62.781 47.918 1.00 0.00 SOLV H ATOM 24141 OH2 TIP3 7371 24.703 60.768 46.217 1.00 0.00 SOLV O ATOM 24142 H1 TIP3 7371 24.768 61.629 45.749 1.00 0.00 SOLV H ATOM 24143 H2 TIP3 7371 24.221 60.247 45.539 1.00 0.00 SOLV H ATOM 24144 OH2 TIP3 7372 32.449 61.105 44.491 1.00 0.00 SOLV O ATOM 24145 H1 TIP3 7372 32.924 60.705 45.256 1.00 0.00 SOLV H ATOM 24146 H2 TIP3 7372 33.205 61.450 43.978 1.00 0.00 SOLV H ATOM 24147 OH2 TIP3 7373 21.037 63.167 46.892 1.00 0.00 SOLV O ATOM 24148 H1 TIP3 7373 21.717 62.792 47.484 1.00 0.00 SOLV H ATOM 24149 H2 TIP3 7373 21.351 62.811 46.032 1.00 0.00 SOLV H ATOM 24150 OH2 TIP3 7374 25.973 64.589 46.543 1.00 0.00 SOLV O ATOM 24151 H1 TIP3 7374 26.852 64.231 46.779 1.00 0.00 SOLV H ATOM 24152 H2 TIP3 7374 25.658 63.946 45.873 1.00 0.00 SOLV H ATOM 24153 OH2 TIP3 7375 37.426 61.480 51.869 1.00 0.00 SOLV O ATOM 24154 H1 TIP3 7375 36.707 62.078 51.574 1.00 0.00 SOLV H ATOM 24155 H2 TIP3 7375 37.288 61.508 52.827 1.00 0.00 SOLV H ATOM 24156 OH2 TIP3 7376 23.339 59.820 50.307 1.00 0.00 SOLV O ATOM 24157 H1 TIP3 7376 23.065 60.427 49.592 1.00 0.00 SOLV H ATOM 24158 H2 TIP3 7376 22.619 59.976 50.954 1.00 0.00 SOLV H ATOM 24159 OH2 TIP3 7377 25.777 67.849 50.134 1.00 0.00 SOLV O ATOM 24160 H1 TIP3 7377 25.315 68.316 49.387 1.00 0.00 SOLV H ATOM 24161 H2 TIP3 7377 26.694 67.963 49.791 1.00 0.00 SOLV H ATOM 24162 OH2 TIP3 7378 33.776 60.445 46.761 1.00 0.00 SOLV O ATOM 24163 H1 TIP3 7378 33.251 59.949 47.405 1.00 0.00 SOLV H ATOM 24164 H2 TIP3 7378 34.291 61.044 47.340 1.00 0.00 SOLV H ATOM 24165 OH2 TIP3 7379 22.934 61.559 48.189 1.00 0.00 SOLV O ATOM 24166 H1 TIP3 7379 23.543 62.121 48.720 1.00 0.00 SOLV H ATOM 24167 H2 TIP3 7379 23.561 61.233 47.505 1.00 0.00 SOLV H ATOM 24168 OH2 TIP3 7380 34.307 59.085 50.461 1.00 0.00 SOLV O ATOM 24169 H1 TIP3 7380 33.608 59.509 49.938 1.00 0.00 SOLV H ATOM 24170 H2 TIP3 7380 35.122 59.377 50.001 1.00 0.00 SOLV H ATOM 24171 OH2 TIP3 7381 27.019 56.887 47.760 1.00 0.00 SOLV O ATOM 24172 H1 TIP3 7381 26.650 55.985 47.681 1.00 0.00 SOLV H ATOM 24173 H2 TIP3 7381 26.236 57.363 48.111 1.00 0.00 SOLV H ATOM 24174 OH2 TIP3 7382 29.569 65.784 42.437 1.00 0.00 SOLV O ATOM 24175 H1 TIP3 7382 28.867 66.414 42.141 1.00 0.00 SOLV H ATOM 24176 H2 TIP3 7382 30.201 65.856 41.699 1.00 0.00 SOLV H ATOM 24177 OH2 TIP3 7383 29.607 64.585 39.007 1.00 0.00 SOLV O ATOM 24178 H1 TIP3 7383 30.172 64.839 39.761 1.00 0.00 SOLV H ATOM 24179 H2 TIP3 7383 30.200 63.949 38.555 1.00 0.00 SOLV H ATOM 24180 OH2 TIP3 7384 36.845 65.394 50.710 1.00 0.00 SOLV O ATOM 24181 H1 TIP3 7384 36.113 66.048 50.748 1.00 0.00 SOLV H ATOM 24182 H2 TIP3 7384 37.368 65.760 49.962 1.00 0.00 SOLV H ATOM 24183 OH2 TIP3 7385 32.931 65.660 43.283 1.00 0.00 SOLV O ATOM 24184 H1 TIP3 7385 32.259 66.008 43.910 1.00 0.00 SOLV H ATOM 24185 H2 TIP3 7385 33.613 65.305 43.890 1.00 0.00 SOLV H ATOM 24186 OH2 TIP3 7386 32.780 64.129 52.485 1.00 0.00 SOLV O ATOM 24187 H1 TIP3 7386 32.732 64.830 53.166 1.00 0.00 SOLV H ATOM 24188 H2 TIP3 7386 32.079 64.426 51.868 1.00 0.00 SOLV H ATOM 24189 OH2 TIP3 7387 24.623 66.463 44.858 1.00 0.00 SOLV O ATOM 24190 H1 TIP3 7387 24.363 65.928 44.092 1.00 0.00 SOLV H ATOM 24191 H2 TIP3 7387 24.981 65.821 45.497 1.00 0.00 SOLV H ATOM 24192 OH2 TIP3 7388 24.747 65.493 48.834 1.00 0.00 SOLV O ATOM 24193 H1 TIP3 7388 25.174 65.332 47.961 1.00 0.00 SOLV H ATOM 24194 H2 TIP3 7388 25.171 66.331 49.100 1.00 0.00 SOLV H ATOM 24195 OH2 TIP3 7389 31.726 65.334 40.758 1.00 0.00 SOLV O ATOM 24196 H1 TIP3 7389 32.230 65.684 41.523 1.00 0.00 SOLV H ATOM 24197 H2 TIP3 7389 32.267 65.684 40.008 1.00 0.00 SOLV H ATOM 24198 OH2 TIP3 7390 22.841 65.600 52.876 1.00 0.00 SOLV O ATOM 24199 H1 TIP3 7390 22.988 66.413 53.411 1.00 0.00 SOLV H ATOM 24200 H2 TIP3 7390 21.869 65.659 52.744 1.00 0.00 SOLV H ATOM 24201 OH2 TIP3 7391 35.498 56.880 40.691 1.00 0.00 SOLV O ATOM 24202 H1 TIP3 7391 34.596 57.148 40.962 1.00 0.00 SOLV H ATOM 24203 H2 TIP3 7391 35.879 57.746 40.431 1.00 0.00 SOLV H ATOM 24204 OH2 TIP3 7392 23.653 65.609 42.355 1.00 0.00 SOLV O ATOM 24205 H1 TIP3 7392 23.067 66.328 42.043 1.00 0.00 SOLV H ATOM 24206 H2 TIP3 7392 23.040 64.869 42.421 1.00 0.00 SOLV H ATOM 24207 OH2 TIP3 7393 19.355 67.980 51.630 1.00 0.00 SOLV O ATOM 24208 H1 TIP3 7393 19.140 68.090 50.689 1.00 0.00 SOLV H ATOM 24209 H2 TIP3 7393 19.879 67.160 51.640 1.00 0.00 SOLV H ATOM 24210 OH2 TIP3 7394 34.665 62.970 54.595 1.00 0.00 SOLV O ATOM 24211 H1 TIP3 7394 33.968 63.314 54.015 1.00 0.00 SOLV H ATOM 24212 H2 TIP3 7394 34.716 62.037 54.307 1.00 0.00 SOLV H ATOM 24213 OH2 TIP3 7395 24.544 57.878 48.690 1.00 0.00 SOLV O ATOM 24214 H1 TIP3 7395 23.779 57.837 48.079 1.00 0.00 SOLV H ATOM 24215 H2 TIP3 7395 24.244 58.604 49.274 1.00 0.00 SOLV H ATOM 24216 OH2 TIP3 7396 29.308 57.558 51.969 1.00 0.00 SOLV O ATOM 24217 H1 TIP3 7396 29.764 57.075 52.691 1.00 0.00 SOLV H ATOM 24218 H2 TIP3 7396 28.366 57.458 52.211 1.00 0.00 SOLV H ATOM 24219 OH2 TIP3 7397 32.329 61.427 52.822 1.00 0.00 SOLV O ATOM 24220 H1 TIP3 7397 31.596 61.358 53.476 1.00 0.00 SOLV H ATOM 24221 H2 TIP3 7397 32.345 62.385 52.621 1.00 0.00 SOLV H ATOM 24222 OH2 TIP3 7398 33.187 66.023 38.570 1.00 0.00 SOLV O ATOM 24223 H1 TIP3 7398 33.149 65.993 37.595 1.00 0.00 SOLV H ATOM 24224 H2 TIP3 7398 34.072 66.416 38.714 1.00 0.00 SOLV H ATOM 24225 OH2 TIP3 7399 28.841 60.116 39.413 1.00 0.00 SOLV O ATOM 24226 H1 TIP3 7399 28.222 59.896 40.137 1.00 0.00 SOLV H ATOM 24227 H2 TIP3 7399 28.502 59.517 38.712 1.00 0.00 SOLV H ATOM 24228 OH2 TIP3 7400 24.624 62.986 49.842 1.00 0.00 SOLV O ATOM 24229 H1 TIP3 7400 23.931 63.097 50.526 1.00 0.00 SOLV H ATOM 24230 H2 TIP3 7400 24.701 63.908 49.501 1.00 0.00 SOLV H ATOM 24231 OH2 TIP3 7401 24.661 63.016 44.714 1.00 0.00 SOLV O ATOM 24232 H1 TIP3 7401 23.686 62.936 44.643 1.00 0.00 SOLV H ATOM 24233 H2 TIP3 7401 24.920 62.776 43.795 1.00 0.00 SOLV H ATOM 24234 OH2 TIP3 7402 30.145 63.373 43.599 1.00 0.00 SOLV O ATOM 24235 H1 TIP3 7402 29.917 64.241 43.194 1.00 0.00 SOLV H ATOM 24236 H2 TIP3 7402 30.834 63.052 42.982 1.00 0.00 SOLV H ATOM 24237 OH2 TIP3 7403 29.230 63.569 54.684 1.00 0.00 SOLV O ATOM 24238 H1 TIP3 7403 28.802 62.786 55.091 1.00 0.00 SOLV H ATOM 24239 H2 TIP3 7403 30.056 63.613 55.201 1.00 0.00 SOLV H ATOM 24240 OH2 TIP3 7404 31.053 62.882 46.154 1.00 0.00 SOLV O ATOM 24241 H1 TIP3 7404 30.610 63.346 45.410 1.00 0.00 SOLV H ATOM 24242 H2 TIP3 7404 31.455 62.158 45.628 1.00 0.00 SOLV H ATOM 24243 OH2 TIP3 7405 22.399 63.124 51.436 1.00 0.00 SOLV O ATOM 24244 H1 TIP3 7405 22.452 63.702 52.217 1.00 0.00 SOLV H ATOM 24245 H2 TIP3 7405 22.025 62.298 51.798 1.00 0.00 SOLV H ATOM 24246 OH2 TIP3 7406 25.540 60.482 38.181 1.00 0.00 SOLV O ATOM 24247 H1 TIP3 7406 25.194 60.346 39.084 1.00 0.00 SOLV H ATOM 24248 H2 TIP3 7406 25.023 61.260 37.904 1.00 0.00 SOLV H ATOM 24249 OH2 TIP3 7407 18.941 60.041 45.491 1.00 0.00 SOLV O ATOM 24250 H1 TIP3 7407 19.519 60.193 46.264 1.00 0.00 SOLV H ATOM 24251 H2 TIP3 7407 19.562 60.030 44.750 1.00 0.00 SOLV H ATOM 24252 OH2 TIP3 7408 19.747 60.954 40.689 1.00 0.00 SOLV O ATOM 24253 H1 TIP3 7408 20.445 61.366 40.133 1.00 0.00 SOLV H ATOM 24254 H2 TIP3 7408 19.246 61.757 40.927 1.00 0.00 SOLV H ATOM 24255 OH2 TIP3 7409 30.430 64.434 50.766 1.00 0.00 SOLV O ATOM 24256 H1 TIP3 7409 30.796 63.813 50.093 1.00 0.00 SOLV H ATOM 24257 H2 TIP3 7409 29.800 63.837 51.223 1.00 0.00 SOLV H ATOM 24258 OH2 TIP3 7410 27.510 60.508 45.666 1.00 0.00 SOLV O ATOM 24259 H1 TIP3 7410 26.590 60.564 45.992 1.00 0.00 SOLV H ATOM 24260 H2 TIP3 7410 27.981 60.154 46.441 1.00 0.00 SOLV H ATOM 24261 OH2 TIP3 7411 22.045 62.216 44.518 1.00 0.00 SOLV O ATOM 24262 H1 TIP3 7411 21.251 62.505 44.007 1.00 0.00 SOLV H ATOM 24263 H2 TIP3 7411 22.244 61.340 44.136 1.00 0.00 SOLV H ATOM 24264 OH2 TIP3 7412 25.292 62.196 42.209 1.00 0.00 SOLV O ATOM 24265 H1 TIP3 7412 26.266 62.222 42.269 1.00 0.00 SOLV H ATOM 24266 H2 TIP3 7412 25.113 62.658 41.355 1.00 0.00 SOLV H ATOM 24267 OH2 TIP3 7413 31.601 59.948 48.913 1.00 0.00 SOLV O ATOM 24268 H1 TIP3 7413 31.106 59.969 49.763 1.00 0.00 SOLV H ATOM 24269 H2 TIP3 7413 30.916 59.579 48.325 1.00 0.00 SOLV H ATOM 24270 OH2 TIP3 7414 24.711 63.191 39.760 1.00 0.00 SOLV O ATOM 24271 H1 TIP3 7414 24.133 63.052 38.990 1.00 0.00 SOLV H ATOM 24272 H2 TIP3 7414 25.470 63.650 39.342 1.00 0.00 SOLV H ATOM 24273 OH2 TIP3 7415 22.922 67.543 54.818 1.00 0.00 SOLV O ATOM 24274 H1 TIP3 7415 23.453 67.586 55.635 1.00 0.00 SOLV H ATOM 24275 H2 TIP3 7415 22.035 67.764 55.162 1.00 0.00 SOLV H ATOM 24276 OH2 TIP3 7416 28.322 63.424 47.573 1.00 0.00 SOLV O ATOM 24277 H1 TIP3 7416 29.072 62.950 47.185 1.00 0.00 SOLV H ATOM 24278 H2 TIP3 7416 28.003 62.798 48.251 1.00 0.00 SOLV H ATOM 24279 OH2 TIP3 7417 23.273 59.598 44.134 1.00 0.00 SOLV O ATOM 24280 H1 TIP3 7417 22.669 58.850 44.346 1.00 0.00 SOLV H ATOM 24281 H2 TIP3 7417 23.819 59.202 43.442 1.00 0.00 SOLV H ATOM 24282 OH2 TIP3 7418 27.172 61.963 49.930 1.00 0.00 SOLV O ATOM 24283 H1 TIP3 7418 26.307 62.425 49.938 1.00 0.00 SOLV H ATOM 24284 H2 TIP3 7418 27.646 62.365 50.685 1.00 0.00 SOLV H ATOM 24285 OH2 TIP3 7419 27.696 67.531 41.598 1.00 0.00 SOLV O ATOM 24286 H1 TIP3 7419 26.875 67.356 41.105 1.00 0.00 SOLV H ATOM 24287 H2 TIP3 7419 27.333 67.814 42.470 1.00 0.00 SOLV H ATOM 24288 OH2 TIP3 7420 34.758 67.233 50.460 1.00 0.00 SOLV O ATOM 24289 H1 TIP3 7420 35.313 67.807 49.896 1.00 0.00 SOLV H ATOM 24290 H2 TIP3 7420 34.036 66.966 49.853 1.00 0.00 SOLV H ATOM 24291 OH2 TIP3 7421 31.423 60.603 39.975 1.00 0.00 SOLV O ATOM 24292 H1 TIP3 7421 30.455 60.544 39.788 1.00 0.00 SOLV H ATOM 24293 H2 TIP3 7421 31.502 61.444 40.467 1.00 0.00 SOLV H ATOM 24294 OH2 TIP3 7422 29.471 67.927 53.089 1.00 0.00 SOLV O ATOM 24295 H1 TIP3 7422 29.700 67.490 53.935 1.00 0.00 SOLV H ATOM 24296 H2 TIP3 7422 28.532 68.119 53.227 1.00 0.00 SOLV H ATOM 24297 OH2 TIP3 7423 32.080 62.713 41.703 1.00 0.00 SOLV O ATOM 24298 H1 TIP3 7423 32.981 62.596 42.057 1.00 0.00 SOLV H ATOM 24299 H2 TIP3 7423 32.107 63.629 41.359 1.00 0.00 SOLV H ATOM 24300 OH2 TIP3 7424 22.524 66.980 47.130 1.00 0.00 SOLV O ATOM 24301 H1 TIP3 7424 23.220 67.663 46.995 1.00 0.00 SOLV H ATOM 24302 H2 TIP3 7424 22.978 66.444 47.792 1.00 0.00 SOLV H ATOM 24303 OH2 TIP3 7425 20.120 65.392 52.729 1.00 0.00 SOLV O ATOM 24304 H1 TIP3 7425 19.851 65.051 53.603 1.00 0.00 SOLV H ATOM 24305 H2 TIP3 7425 19.356 65.132 52.187 1.00 0.00 SOLV H ATOM 24306 OH2 TIP3 7426 27.075 65.330 54.959 1.00 0.00 SOLV O ATOM 24307 H1 TIP3 7426 26.489 64.924 54.297 1.00 0.00 SOLV H ATOM 24308 H2 TIP3 7426 27.927 64.883 54.758 1.00 0.00 SOLV H ATOM 24309 OH2 TIP3 7427 36.889 63.105 41.312 1.00 0.00 SOLV O ATOM 24310 H1 TIP3 7427 36.427 62.905 40.462 1.00 0.00 SOLV H ATOM 24311 H2 TIP3 7427 37.088 64.048 41.115 1.00 0.00 SOLV H ATOM 24312 OH2 TIP3 7428 37.244 68.511 54.043 1.00 0.00 SOLV O ATOM 24313 H1 TIP3 7428 36.572 69.153 53.725 1.00 0.00 SOLV H ATOM 24314 H2 TIP3 7428 37.693 68.349 53.178 1.00 0.00 SOLV H ATOM 24315 OH2 TIP3 7429 32.685 66.289 48.777 1.00 0.00 SOLV O ATOM 24316 H1 TIP3 7429 31.728 66.203 48.562 1.00 0.00 SOLV H ATOM 24317 H2 TIP3 7429 33.018 65.494 48.310 1.00 0.00 SOLV H ATOM 24318 OH2 TIP3 7430 21.042 65.476 39.480 1.00 0.00 SOLV O ATOM 24319 H1 TIP3 7430 21.479 66.207 39.973 1.00 0.00 SOLV H ATOM 24320 H2 TIP3 7430 20.126 65.550 39.833 1.00 0.00 SOLV H ATOM 24321 OH2 TIP3 7431 26.610 68.097 44.006 1.00 0.00 SOLV O ATOM 24322 H1 TIP3 7431 26.303 68.966 44.313 1.00 0.00 SOLV H ATOM 24323 H2 TIP3 7431 25.940 67.523 44.440 1.00 0.00 SOLV H ATOM 24324 OH2 TIP3 7432 30.680 68.168 50.551 1.00 0.00 SOLV O ATOM 24325 H1 TIP3 7432 30.233 67.837 51.353 1.00 0.00 SOLV H ATOM 24326 H2 TIP3 7432 31.264 67.439 50.306 1.00 0.00 SOLV H ATOM 24327 OH2 TIP3 7433 21.276 60.497 52.075 1.00 0.00 SOLV O ATOM 24328 H1 TIP3 7433 20.329 60.677 51.925 1.00 0.00 SOLV H ATOM 24329 H2 TIP3 7433 21.241 59.788 52.734 1.00 0.00 SOLV H ATOM 24330 OH2 TIP3 7434 33.631 67.753 41.707 1.00 0.00 SOLV O ATOM 24331 H1 TIP3 7434 33.558 67.010 42.337 1.00 0.00 SOLV H ATOM 24332 H2 TIP3 7434 34.591 67.757 41.520 1.00 0.00 SOLV H ATOM 24333 OH2 TIP3 7435 22.180 67.510 40.899 1.00 0.00 SOLV O ATOM 24334 H1 TIP3 7435 21.586 68.300 40.907 1.00 0.00 SOLV H ATOM 24335 H2 TIP3 7435 23.003 67.917 40.603 1.00 0.00 SOLV H ATOM 24336 OH2 TIP3 7436 30.308 60.072 51.340 1.00 0.00 SOLV O ATOM 24337 H1 TIP3 7436 31.015 60.221 51.991 1.00 0.00 SOLV H ATOM 24338 H2 TIP3 7436 29.938 59.206 51.616 1.00 0.00 SOLV H ATOM 24339 OH2 TIP3 7437 31.037 59.453 42.661 1.00 0.00 SOLV O ATOM 24340 H1 TIP3 7437 31.183 59.852 41.784 1.00 0.00 SOLV H ATOM 24341 H2 TIP3 7437 31.458 60.108 43.258 1.00 0.00 SOLV H ATOM 24342 OH2 TIP3 7438 27.935 61.744 43.218 1.00 0.00 SOLV O ATOM 24343 H1 TIP3 7438 28.697 62.344 43.365 1.00 0.00 SOLV H ATOM 24344 H2 TIP3 7438 27.765 61.436 44.133 1.00 0.00 SOLV H ATOM 24345 OH2 TIP3 7439 28.848 62.636 52.078 1.00 0.00 SOLV O ATOM 24346 H1 TIP3 7439 28.983 62.910 53.010 1.00 0.00 SOLV H ATOM 24347 H2 TIP3 7439 29.209 61.731 52.069 1.00 0.00 SOLV H ATOM 24348 OH2 TIP3 7440 28.618 58.530 43.760 1.00 0.00 SOLV O ATOM 24349 H1 TIP3 7440 28.485 59.260 44.393 1.00 0.00 SOLV H ATOM 24350 H2 TIP3 7440 29.507 58.749 43.398 1.00 0.00 SOLV H ATOM 24351 OH2 TIP3 7441 24.665 59.925 40.746 1.00 0.00 SOLV O ATOM 24352 H1 TIP3 7441 24.624 60.733 41.296 1.00 0.00 SOLV H ATOM 24353 H2 TIP3 7441 25.565 59.619 40.996 1.00 0.00 SOLV H ATOM 24354 OH2 TIP3 7442 34.809 60.494 53.234 1.00 0.00 SOLV O ATOM 24355 H1 TIP3 7442 33.855 60.711 53.128 1.00 0.00 SOLV H ATOM 24356 H2 TIP3 7442 34.966 60.078 52.373 1.00 0.00 SOLV H ATOM 24357 OH2 TIP3 7443 33.420 64.148 47.185 1.00 0.00 SOLV O ATOM 24358 H1 TIP3 7443 32.573 63.732 46.934 1.00 0.00 SOLV H ATOM 24359 H2 TIP3 7443 33.860 63.430 47.691 1.00 0.00 SOLV H ATOM 24360 OH2 TIP3 7444 20.972 62.776 39.073 1.00 0.00 SOLV O ATOM 24361 H1 TIP3 7444 21.214 63.678 39.366 1.00 0.00 SOLV H ATOM 24362 H2 TIP3 7444 20.315 62.972 38.397 1.00 0.00 SOLV H ATOM 24363 OH2 TIP3 7445 22.025 57.703 47.496 1.00 0.00 SOLV O ATOM 24364 H1 TIP3 7445 21.940 57.612 46.522 1.00 0.00 SOLV H ATOM 24365 H2 TIP3 7445 21.647 56.858 47.809 1.00 0.00 SOLV H ATOM 24366 OH2 TIP3 7446 20.335 67.737 55.766 1.00 0.00 SOLV O ATOM 24367 H1 TIP3 7446 20.332 66.763 55.761 1.00 0.00 SOLV H ATOM 24368 H2 TIP3 7446 19.581 67.944 55.170 1.00 0.00 SOLV H ATOM 24369 OH2 TIP3 7447 24.474 67.765 38.216 1.00 0.00 SOLV O ATOM 24370 H1 TIP3 7447 24.753 67.294 39.034 1.00 0.00 SOLV H ATOM 24371 H2 TIP3 7447 25.319 67.779 37.720 1.00 0.00 SOLV H ATOM 24372 OH2 TIP3 7448 26.422 68.057 55.231 1.00 0.00 SOLV O ATOM 24373 H1 TIP3 7448 26.229 68.291 54.311 1.00 0.00 SOLV H ATOM 24374 H2 TIP3 7448 26.784 67.149 55.145 1.00 0.00 SOLV H ATOM 24375 OH2 TIP3 7449 32.470 67.961 53.071 1.00 0.00 SOLV O ATOM 24376 H1 TIP3 7449 33.087 68.413 52.482 1.00 0.00 SOLV H ATOM 24377 H2 TIP3 7449 31.628 68.393 52.867 1.00 0.00 SOLV H ATOM 24378 OH2 TIP3 7450 21.074 64.974 55.703 1.00 0.00 SOLV O ATOM 24379 H1 TIP3 7450 21.979 64.853 55.384 1.00 0.00 SOLV H ATOM 24380 H2 TIP3 7450 21.211 65.170 56.653 1.00 0.00 SOLV H ATOM 24381 OH2 TIP3 7451 25.423 66.447 40.378 1.00 0.00 SOLV O ATOM 24382 H1 TIP3 7451 24.939 66.032 41.124 1.00 0.00 SOLV H ATOM 24383 H2 TIP3 7451 25.907 65.686 39.997 1.00 0.00 SOLV H ATOM 24384 OH2 TIP3 7452 25.136 64.143 52.964 1.00 0.00 SOLV O ATOM 24385 H1 TIP3 7452 24.348 64.720 52.855 1.00 0.00 SOLV H ATOM 24386 H2 TIP3 7452 25.786 64.615 52.392 1.00 0.00 SOLV H ATOM 24387 OH2 TIP3 7453 26.835 64.590 38.775 1.00 0.00 SOLV O ATOM 24388 H1 TIP3 7453 26.894 64.900 37.849 1.00 0.00 SOLV H ATOM 24389 H2 TIP3 7453 27.787 64.450 38.971 1.00 0.00 SOLV H ATOM 24390 OH2 TIP3 7454 29.987 66.564 55.796 1.00 0.00 SOLV O ATOM 24391 H1 TIP3 7454 30.917 66.551 56.045 1.00 0.00 SOLV H ATOM 24392 H2 TIP3 7454 29.588 66.047 56.516 1.00 0.00 SOLV H ATOM 24393 OH2 TIP3 7455 35.832 67.008 38.428 1.00 0.00 SOLV O ATOM 24394 H1 TIP3 7455 35.841 66.951 37.452 1.00 0.00 SOLV H ATOM 24395 H2 TIP3 7455 36.067 67.938 38.594 1.00 0.00 SOLV H ATOM 24396 OH2 TIP3 7456 25.549 61.649 53.844 1.00 0.00 SOLV O ATOM 24397 H1 TIP3 7456 25.616 61.057 53.067 1.00 0.00 SOLV H ATOM 24398 H2 TIP3 7456 25.417 62.527 53.413 1.00 0.00 SOLV H ATOM 24399 OH2 TIP3 7457 25.794 59.993 51.552 1.00 0.00 SOLV O ATOM 24400 H1 TIP3 7457 26.345 60.496 50.921 1.00 0.00 SOLV H ATOM 24401 H2 TIP3 7457 24.925 59.989 51.097 1.00 0.00 SOLV H ATOM 24402 OH2 TIP3 7458 26.922 65.590 51.632 1.00 0.00 SOLV O ATOM 24403 H1 TIP3 7458 27.863 65.573 51.421 1.00 0.00 SOLV H ATOM 24404 H2 TIP3 7458 26.591 66.349 51.116 1.00 0.00 SOLV H ATOM 24405 OH2 TIP3 7459 31.483 63.137 56.463 1.00 0.00 SOLV O ATOM 24406 H1 TIP3 7459 31.833 62.234 56.472 1.00 0.00 SOLV H ATOM 24407 H2 TIP3 7459 32.289 63.670 56.398 1.00 0.00 SOLV H ATOM 24408 OH2 TIP3 7460 33.038 65.901 54.702 1.00 0.00 SOLV O ATOM 24409 H1 TIP3 7460 32.743 66.690 54.184 1.00 0.00 SOLV H ATOM 24410 H2 TIP3 7460 34.014 66.018 54.632 1.00 0.00 SOLV H ATOM 24411 OH2 TIP3 7461 23.876 62.363 56.040 1.00 0.00 SOLV O ATOM 24412 H1 TIP3 7461 23.082 61.823 55.854 1.00 0.00 SOLV H ATOM 24413 H2 TIP3 7461 24.370 62.278 55.200 1.00 0.00 SOLV H ATOM 24414 OH2 TIP3 7462 26.479 57.287 52.029 1.00 0.00 SOLV O ATOM 24415 H1 TIP3 7462 26.207 58.211 51.842 1.00 0.00 SOLV H ATOM 24416 H2 TIP3 7462 25.777 56.781 51.571 1.00 0.00 SOLV H ATOM 24417 OH2 TIP3 7463 27.800 61.355 55.443 1.00 0.00 SOLV O ATOM 24418 H1 TIP3 7463 27.315 61.082 56.244 1.00 0.00 SOLV H ATOM 24419 H2 TIP3 7463 27.043 61.425 54.820 1.00 0.00 SOLV H ATOM 24420 OH2 TIP3 7464 30.391 60.765 54.555 1.00 0.00 SOLV O ATOM 24421 H1 TIP3 7464 29.505 60.803 54.970 1.00 0.00 SOLV H ATOM 24422 H2 TIP3 7464 30.910 60.259 55.210 1.00 0.00 SOLV H ATOM 24423 OH2 TIP3 7465 32.160 59.563 56.384 1.00 0.00 SOLV O ATOM 24424 H1 TIP3 7465 32.115 58.588 56.287 1.00 0.00 SOLV H ATOM 24425 H2 TIP3 7465 31.883 59.696 57.314 1.00 0.00 SOLV H ATOM 24426 OH2 TIP3 7466 21.818 60.467 55.674 1.00 0.00 SOLV O ATOM 24427 H1 TIP3 7466 21.820 59.641 55.154 1.00 0.00 SOLV H ATOM 24428 H2 TIP3 7466 21.946 60.119 56.578 1.00 0.00 SOLV H ATOM 24429 OH2 TIP3 7467 26.590 56.665 54.696 1.00 0.00 SOLV O ATOM 24430 H1 TIP3 7467 27.154 55.872 54.597 1.00 0.00 SOLV H ATOM 24431 H2 TIP3 7467 26.498 56.924 53.755 1.00 0.00 SOLV H ATOM 24432 OH2 TIP3 7468 27.171 58.296 56.823 1.00 0.00 SOLV O ATOM 24433 H1 TIP3 7468 27.046 57.779 55.997 1.00 0.00 SOLV H ATOM 24434 H2 TIP3 7468 26.536 59.034 56.701 1.00 0.00 SOLV H ATOM 24435 OH2 TIP3 7469 36.457 67.310 42.153 1.00 0.00 SOLV O ATOM 24436 H1 TIP3 7469 36.749 68.232 42.163 1.00 0.00 SOLV H ATOM 24437 H2 TIP3 7469 36.792 66.928 42.992 1.00 0.00 SOLV H ATOM 24438 OH2 TIP3 7470 37.170 65.682 44.271 1.00 0.00 SOLV O ATOM 24439 H1 TIP3 7470 36.316 65.276 44.544 1.00 0.00 SOLV H ATOM 24440 H2 TIP3 7470 37.668 65.717 45.114 1.00 0.00 SOLV H ATOM 24441 OH2 TIP3 7471 36.810 68.623 49.360 1.00 0.00 SOLV O ATOM 24442 H1 TIP3 7471 37.386 68.138 48.746 1.00 0.00 SOLV H ATOM 24443 H2 TIP3 7471 36.307 69.217 48.744 1.00 0.00 SOLV H ATOM 24444 OH2 TIP3 7472 37.302 65.594 40.275 1.00 0.00 SOLV O ATOM 24445 H1 TIP3 7472 36.764 65.931 39.525 1.00 0.00 SOLV H ATOM 24446 H2 TIP3 7472 36.986 66.216 40.971 1.00 0.00 SOLV H ATOM 24447 OH2 TIP3 7473 35.788 62.807 38.844 1.00 0.00 SOLV O ATOM 24448 H1 TIP3 7473 35.537 63.376 38.108 1.00 0.00 SOLV H ATOM 24449 H2 TIP3 7473 35.505 61.934 38.496 1.00 0.00 SOLV H ATOM 24450 OH2 TIP3 7474 34.822 64.377 44.845 1.00 0.00 SOLV O ATOM 24451 H1 TIP3 7474 34.735 63.485 44.465 1.00 0.00 SOLV H ATOM 24452 H2 TIP3 7474 34.387 64.282 45.720 1.00 0.00 SOLV H ATOM 24453 OH2 TIP3 7475 19.612 66.394 48.770 1.00 0.00 SOLV O ATOM 24454 H1 TIP3 7475 19.785 66.222 47.818 1.00 0.00 SOLV H ATOM 24455 H2 TIP3 7475 20.502 66.169 49.136 1.00 0.00 SOLV H ATOM 24456 OH2 TIP3 7476 35.710 66.327 54.598 1.00 0.00 SOLV O ATOM 24457 H1 TIP3 7476 36.320 65.574 54.449 1.00 0.00 SOLV H ATOM 24458 H2 TIP3 7476 36.220 67.077 54.225 1.00 0.00 SOLV H ATOM 24459 OH2 TIP3 7477 37.177 64.007 54.379 1.00 0.00 SOLV O ATOM 24460 H1 TIP3 7477 36.277 63.630 54.495 1.00 0.00 SOLV H ATOM 24461 H2 TIP3 7477 37.718 63.236 54.657 1.00 0.00 SOLV H ATOM 24462 OH2 TIP3 7478 34.929 60.403 37.864 1.00 0.00 SOLV O ATOM 24463 H1 TIP3 7478 35.340 59.839 38.548 1.00 0.00 SOLV H ATOM 24464 H2 TIP3 7478 34.044 60.013 37.748 1.00 0.00 SOLV H ATOM 24465 OH2 TIP3 7479 34.644 61.999 43.006 1.00 0.00 SOLV O ATOM 24466 H1 TIP3 7479 34.878 61.039 43.006 1.00 0.00 SOLV H ATOM 24467 H2 TIP3 7479 35.403 62.355 42.508 1.00 0.00 SOLV H ATOM 24468 OH2 TIP3 7480 34.943 62.239 48.492 1.00 0.00 SOLV O ATOM 24469 H1 TIP3 7480 35.901 62.387 48.321 1.00 0.00 SOLV H ATOM 24470 H2 TIP3 7480 34.924 62.442 49.448 1.00 0.00 SOLV H ATOM 24471 OH2 TIP3 7481 35.285 63.162 51.128 1.00 0.00 SOLV O ATOM 24472 H1 TIP3 7481 34.471 63.514 51.534 1.00 0.00 SOLV H ATOM 24473 H2 TIP3 7481 35.815 63.979 51.008 1.00 0.00 SOLV H ATOM 24474 OH2 TIP3 7482 19.468 61.555 54.712 1.00 0.00 SOLV O ATOM 24475 H1 TIP3 7482 20.365 61.347 55.051 1.00 0.00 SOLV H ATOM 24476 H2 TIP3 7482 19.028 60.690 54.835 1.00 0.00 SOLV H ATOM 24477 OH2 TIP3 7483 37.484 57.387 56.485 1.00 0.00 SOLV O ATOM 24478 H1 TIP3 7483 38.119 56.743 56.102 1.00 0.00 SOLV H ATOM 24479 H2 TIP3 7483 37.448 58.069 55.780 1.00 0.00 SOLV H ATOM 24480 OH2 TIP3 7484 35.190 59.296 43.044 1.00 0.00 SOLV O ATOM 24481 H1 TIP3 7484 35.363 58.856 43.902 1.00 0.00 SOLV H ATOM 24482 H2 TIP3 7484 34.500 58.701 42.677 1.00 0.00 SOLV H ATOM 24483 OH2 TIP3 7485 20.517 60.043 47.790 1.00 0.00 SOLV O ATOM 24484 H1 TIP3 7485 21.003 59.194 47.763 1.00 0.00 SOLV H ATOM 24485 H2 TIP3 7485 21.249 60.666 47.946 1.00 0.00 SOLV H ATOM 24486 OH2 TIP3 7486 18.751 62.904 48.524 1.00 0.00 SOLV O ATOM 24487 H1 TIP3 7486 19.479 62.942 47.871 1.00 0.00 SOLV H ATOM 24488 H2 TIP3 7486 18.996 63.615 49.126 1.00 0.00 SOLV H ATOM 24489 OH2 TIP3 7487 36.914 59.242 54.578 1.00 0.00 SOLV O ATOM 24490 H1 TIP3 7487 36.119 59.806 54.673 1.00 0.00 SOLV H ATOM 24491 H2 TIP3 7487 36.625 58.688 53.824 1.00 0.00 SOLV H ATOM 24492 OH2 TIP3 7488 36.727 59.116 39.655 1.00 0.00 SOLV O ATOM 24493 H1 TIP3 7488 37.177 58.525 39.015 1.00 0.00 SOLV H ATOM 24494 H2 TIP3 7488 37.458 59.690 39.958 1.00 0.00 SOLV H ATOM 24495 OH2 TIP3 7489 19.358 59.044 42.571 1.00 0.00 SOLV O ATOM 24496 H1 TIP3 7489 18.396 59.125 42.683 1.00 0.00 SOLV H ATOM 24497 H2 TIP3 7489 19.554 59.805 41.984 1.00 0.00 SOLV H ATOM 24498 OH2 TIP3 7490 19.345 57.845 51.008 1.00 0.00 SOLV O ATOM 24499 H1 TIP3 7490 18.621 57.814 51.653 1.00 0.00 SOLV H ATOM 24500 H2 TIP3 7490 18.982 58.481 50.358 1.00 0.00 SOLV H ATOM 24501 OH2 TIP3 7491 35.981 57.343 52.765 1.00 0.00 SOLV O ATOM 24502 H1 TIP3 7491 35.179 57.385 52.210 1.00 0.00 SOLV H ATOM 24503 H2 TIP3 7491 36.267 56.419 52.574 1.00 0.00 SOLV H ATOM 24504 OH2 TIP3 7492 29.355 58.805 47.244 1.00 0.00 SOLV O ATOM 24505 H1 TIP3 7492 28.713 58.083 47.357 1.00 0.00 SOLV H ATOM 24506 H2 TIP3 7492 30.105 58.353 46.807 1.00 0.00 SOLV H ATOM 24507 OH2 TIP3 7493 34.340 56.929 47.144 1.00 0.00 SOLV O ATOM 24508 H1 TIP3 7493 34.956 57.480 46.611 1.00 0.00 SOLV H ATOM 24509 H2 TIP3 7493 33.476 57.289 46.869 1.00 0.00 SOLV H ATOM 24510 OH2 TIP3 7494 36.065 58.057 45.353 1.00 0.00 SOLV O ATOM 24511 H1 TIP3 7494 36.804 57.486 45.053 1.00 0.00 SOLV H ATOM 24512 H2 TIP3 7494 36.556 58.897 45.512 1.00 0.00 SOLV H ATOM 24513 OH2 TIP3 7495 21.687 57.447 44.757 1.00 0.00 SOLV O ATOM 24514 H1 TIP3 7495 20.747 57.315 44.507 1.00 0.00 SOLV H ATOM 24515 H2 TIP3 7495 22.021 56.530 44.636 1.00 0.00 SOLV H ATOM 24516 OH2 TIP3 7496 20.533 57.280 40.722 1.00 0.00 SOLV O ATOM 24517 H1 TIP3 7496 21.085 57.907 40.224 1.00 0.00 SOLV H ATOM 24518 H2 TIP3 7496 20.173 57.851 41.434 1.00 0.00 SOLV H ATOM 24519 OH2 TIP3 7497 26.421 57.138 44.738 1.00 0.00 SOLV O ATOM 24520 H1 TIP3 7497 27.175 57.608 44.334 1.00 0.00 SOLV H ATOM 24521 H2 TIP3 7497 26.598 57.254 45.681 1.00 0.00 SOLV H ATOM 24522 OH2 TIP3 7498 31.713 57.561 46.216 1.00 0.00 SOLV O ATOM 24523 H1 TIP3 7498 31.865 57.309 45.295 1.00 0.00 SOLV H ATOM 24524 H2 TIP3 7498 31.400 56.708 46.600 1.00 0.00 SOLV H ATOM 24525 OH2 TIP3 7499 33.180 57.630 42.089 1.00 0.00 SOLV O ATOM 24526 H1 TIP3 7499 32.350 58.135 42.174 1.00 0.00 SOLV H ATOM 24527 H2 TIP3 7499 32.830 56.715 42.173 1.00 0.00 SOLV H ATOM 24528 OH2 TIP3 7500 22.536 58.980 39.090 1.00 0.00 SOLV O ATOM 24529 H1 TIP3 7500 23.066 58.418 38.491 1.00 0.00 SOLV H ATOM 24530 H2 TIP3 7500 23.220 59.298 39.715 1.00 0.00 SOLV H ATOM 24531 OH2 TIP3 7501 27.265 59.610 41.619 1.00 0.00 SOLV O ATOM 24532 H1 TIP3 7501 27.650 58.943 42.218 1.00 0.00 SOLV H ATOM 24533 H2 TIP3 7501 27.521 60.423 42.107 1.00 0.00 SOLV H ATOM 24534 OH2 TIP3 7502 21.634 57.972 54.328 1.00 0.00 SOLV O ATOM 24535 H1 TIP3 7502 21.053 57.241 54.615 1.00 0.00 SOLV H ATOM 24536 H2 TIP3 7502 22.456 57.744 54.813 1.00 0.00 SOLV H ATOM 24537 OH2 TIP3 7503 23.737 57.296 56.022 1.00 0.00 SOLV O ATOM 24538 H1 TIP3 7503 24.639 57.039 55.759 1.00 0.00 SOLV H ATOM 24539 H2 TIP3 7503 23.408 56.471 56.429 1.00 0.00 SOLV H ATOM 24540 OH2 TIP3 7504 32.320 56.761 56.129 1.00 0.00 SOLV O ATOM 24541 H1 TIP3 7504 32.174 56.270 56.967 1.00 0.00 SOLV H ATOM 24542 H2 TIP3 7504 33.275 56.602 55.976 1.00 0.00 SOLV H ATOM 24543 OH2 TIP3 7505 49.657 66.625 44.731 1.00 0.00 SOLV O ATOM 24544 H1 TIP3 7505 49.216 67.418 45.063 1.00 0.00 SOLV H ATOM 24545 H2 TIP3 7505 49.078 66.371 43.983 1.00 0.00 SOLV H ATOM 24546 OH2 TIP3 7506 48.716 65.795 48.427 1.00 0.00 SOLV O ATOM 24547 H1 TIP3 7506 48.831 65.321 49.278 1.00 0.00 SOLV H ATOM 24548 H2 TIP3 7506 48.261 65.116 47.895 1.00 0.00 SOLV H ATOM 24549 OH2 TIP3 7507 40.788 65.424 49.800 1.00 0.00 SOLV O ATOM 24550 H1 TIP3 7507 40.769 64.547 50.223 1.00 0.00 SOLV H ATOM 24551 H2 TIP3 7507 41.549 65.815 50.253 1.00 0.00 SOLV H ATOM 24552 OH2 TIP3 7508 51.785 68.224 46.782 1.00 0.00 SOLV O ATOM 24553 H1 TIP3 7508 51.592 67.303 46.995 1.00 0.00 SOLV H ATOM 24554 H2 TIP3 7508 52.523 68.430 47.380 1.00 0.00 SOLV H ATOM 24555 OH2 TIP3 7509 38.665 63.368 43.434 1.00 0.00 SOLV O ATOM 24556 H1 TIP3 7509 38.224 64.169 43.768 1.00 0.00 SOLV H ATOM 24557 H2 TIP3 7509 38.059 63.131 42.707 1.00 0.00 SOLV H ATOM 24558 OH2 TIP3 7510 39.122 65.644 46.185 1.00 0.00 SOLV O ATOM 24559 H1 TIP3 7510 39.384 64.723 46.414 1.00 0.00 SOLV H ATOM 24560 H2 TIP3 7510 39.941 65.987 45.805 1.00 0.00 SOLV H ATOM 24561 OH2 TIP3 7511 47.082 68.016 49.001 1.00 0.00 SOLV O ATOM 24562 H1 TIP3 7511 47.565 67.250 48.631 1.00 0.00 SOLV H ATOM 24563 H2 TIP3 7511 47.799 68.367 49.575 1.00 0.00 SOLV H ATOM 24564 OH2 TIP3 7512 55.752 59.877 49.651 1.00 0.00 SOLV O ATOM 24565 H1 TIP3 7512 56.020 60.551 50.309 1.00 0.00 SOLV H ATOM 24566 H2 TIP3 7512 56.216 60.191 48.856 1.00 0.00 SOLV H ATOM 24567 OH2 TIP3 7513 50.151 62.729 48.863 1.00 0.00 SOLV O ATOM 24568 H1 TIP3 7513 50.356 61.781 48.978 1.00 0.00 SOLV H ATOM 24569 H2 TIP3 7513 50.004 62.766 47.897 1.00 0.00 SOLV H ATOM 24570 OH2 TIP3 7514 43.571 60.779 46.198 1.00 0.00 SOLV O ATOM 24571 H1 TIP3 7514 43.607 61.636 45.723 1.00 0.00 SOLV H ATOM 24572 H2 TIP3 7514 43.081 60.241 45.537 1.00 0.00 SOLV H ATOM 24573 OH2 TIP3 7515 51.309 61.076 44.493 1.00 0.00 SOLV O ATOM 24574 H1 TIP3 7515 51.782 60.690 45.266 1.00 0.00 SOLV H ATOM 24575 H2 TIP3 7515 52.061 61.447 43.992 1.00 0.00 SOLV H ATOM 24576 OH2 TIP3 7516 39.929 63.157 46.898 1.00 0.00 SOLV O ATOM 24577 H1 TIP3 7516 40.582 62.730 47.484 1.00 0.00 SOLV H ATOM 24578 H2 TIP3 7516 40.204 62.777 46.035 1.00 0.00 SOLV H ATOM 24579 OH2 TIP3 7517 44.901 64.641 46.470 1.00 0.00 SOLV O ATOM 24580 H1 TIP3 7517 45.760 64.244 46.725 1.00 0.00 SOLV H ATOM 24581 H2 TIP3 7517 44.540 63.969 45.852 1.00 0.00 SOLV H ATOM 24582 OH2 TIP3 7518 56.270 61.474 51.887 1.00 0.00 SOLV O ATOM 24583 H1 TIP3 7518 55.524 62.059 51.637 1.00 0.00 SOLV H ATOM 24584 H2 TIP3 7518 56.268 61.584 52.853 1.00 0.00 SOLV H ATOM 24585 OH2 TIP3 7519 42.201 59.808 50.308 1.00 0.00 SOLV O ATOM 24586 H1 TIP3 7519 41.899 60.404 49.596 1.00 0.00 SOLV H ATOM 24587 H2 TIP3 7519 41.477 59.931 50.957 1.00 0.00 SOLV H ATOM 24588 OH2 TIP3 7520 44.727 67.551 50.198 1.00 0.00 SOLV O ATOM 24589 H1 TIP3 7520 44.116 68.223 49.842 1.00 0.00 SOLV H ATOM 24590 H2 TIP3 7520 45.575 67.823 49.778 1.00 0.00 SOLV H ATOM 24591 OH2 TIP3 7521 52.611 60.425 46.790 1.00 0.00 SOLV O ATOM 24592 H1 TIP3 7521 52.024 60.035 47.455 1.00 0.00 SOLV H ATOM 24593 H2 TIP3 7521 53.147 61.037 47.337 1.00 0.00 SOLV H ATOM 24594 OH2 TIP3 7522 41.802 61.552 48.187 1.00 0.00 SOLV O ATOM 24595 H1 TIP3 7522 42.409 62.090 48.741 1.00 0.00 SOLV H ATOM 24596 H2 TIP3 7522 42.435 61.225 47.507 1.00 0.00 SOLV H ATOM 24597 OH2 TIP3 7523 53.184 58.949 50.445 1.00 0.00 SOLV O ATOM 24598 H1 TIP3 7523 52.484 59.441 49.987 1.00 0.00 SOLV H ATOM 24599 H2 TIP3 7523 53.996 59.292 50.016 1.00 0.00 SOLV H ATOM 24600 OH2 TIP3 7524 45.871 56.883 47.794 1.00 0.00 SOLV O ATOM 24601 H1 TIP3 7524 45.523 55.973 47.717 1.00 0.00 SOLV H ATOM 24602 H2 TIP3 7524 45.076 57.343 48.145 1.00 0.00 SOLV H ATOM 24603 OH2 TIP3 7525 48.438 65.807 42.438 1.00 0.00 SOLV O ATOM 24604 H1 TIP3 7525 47.746 66.436 42.119 1.00 0.00 SOLV H ATOM 24605 H2 TIP3 7525 49.078 65.854 41.705 1.00 0.00 SOLV H ATOM 24606 OH2 TIP3 7526 48.470 64.562 39.045 1.00 0.00 SOLV O ATOM 24607 H1 TIP3 7526 49.046 64.836 39.783 1.00 0.00 SOLV H ATOM 24608 H2 TIP3 7526 49.068 63.939 38.584 1.00 0.00 SOLV H ATOM 24609 OH2 TIP3 7527 55.681 65.367 50.671 1.00 0.00 SOLV O ATOM 24610 H1 TIP3 7527 54.965 66.035 50.730 1.00 0.00 SOLV H ATOM 24611 H2 TIP3 7527 56.224 65.750 49.947 1.00 0.00 SOLV H ATOM 24612 OH2 TIP3 7528 51.802 65.642 43.288 1.00 0.00 SOLV O ATOM 24613 H1 TIP3 7528 51.115 65.973 43.911 1.00 0.00 SOLV H ATOM 24614 H2 TIP3 7528 52.485 65.310 43.905 1.00 0.00 SOLV H ATOM 24615 OH2 TIP3 7529 51.625 64.127 52.503 1.00 0.00 SOLV O ATOM 24616 H1 TIP3 7529 51.589 64.807 53.206 1.00 0.00 SOLV H ATOM 24617 H2 TIP3 7529 50.955 64.468 51.880 1.00 0.00 SOLV H ATOM 24618 OH2 TIP3 7530 43.223 66.528 45.305 1.00 0.00 SOLV O ATOM 24619 H1 TIP3 7530 42.996 66.195 44.409 1.00 0.00 SOLV H ATOM 24620 H2 TIP3 7530 43.823 65.830 45.641 1.00 0.00 SOLV H ATOM 24621 OH2 TIP3 7531 43.662 65.396 48.787 1.00 0.00 SOLV O ATOM 24622 H1 TIP3 7531 44.140 65.225 47.945 1.00 0.00 SOLV H ATOM 24623 H2 TIP3 7531 44.186 66.111 49.193 1.00 0.00 SOLV H ATOM 24624 OH2 TIP3 7532 50.590 65.330 40.766 1.00 0.00 SOLV O ATOM 24625 H1 TIP3 7532 51.095 65.693 41.524 1.00 0.00 SOLV H ATOM 24626 H2 TIP3 7532 51.129 65.670 40.011 1.00 0.00 SOLV H ATOM 24627 OH2 TIP3 7533 41.704 65.647 52.695 1.00 0.00 SOLV O ATOM 24628 H1 TIP3 7533 41.869 66.385 53.325 1.00 0.00 SOLV H ATOM 24629 H2 TIP3 7533 40.720 65.654 52.681 1.00 0.00 SOLV H ATOM 24630 OH2 TIP3 7534 54.340 56.866 40.706 1.00 0.00 SOLV O ATOM 24631 H1 TIP3 7534 53.461 57.166 41.017 1.00 0.00 SOLV H ATOM 24632 H2 TIP3 7534 54.740 57.724 40.444 1.00 0.00 SOLV H ATOM 24633 OH2 TIP3 7535 42.361 65.821 42.731 1.00 0.00 SOLV O ATOM 24634 H1 TIP3 7535 41.859 66.449 42.168 1.00 0.00 SOLV H ATOM 24635 H2 TIP3 7535 41.980 64.976 42.464 1.00 0.00 SOLV H ATOM 24636 OH2 TIP3 7536 38.281 68.014 51.639 1.00 0.00 SOLV O ATOM 24637 H1 TIP3 7536 37.899 68.129 50.746 1.00 0.00 SOLV H ATOM 24638 H2 TIP3 7536 38.678 67.130 51.594 1.00 0.00 SOLV H ATOM 24639 OH2 TIP3 7537 53.526 62.958 54.619 1.00 0.00 SOLV O ATOM 24640 H1 TIP3 7537 52.800 63.255 54.051 1.00 0.00 SOLV H ATOM 24641 H2 TIP3 7537 53.582 62.011 54.378 1.00 0.00 SOLV H ATOM 24642 OH2 TIP3 7538 43.404 57.891 48.672 1.00 0.00 SOLV O ATOM 24643 H1 TIP3 7538 42.630 57.832 48.072 1.00 0.00 SOLV H ATOM 24644 H2 TIP3 7538 43.085 58.596 49.272 1.00 0.00 SOLV H ATOM 24645 OH2 TIP3 7539 48.177 57.561 52.002 1.00 0.00 SOLV O ATOM 24646 H1 TIP3 7539 48.641 57.055 52.703 1.00 0.00 SOLV H ATOM 24647 H2 TIP3 7539 47.236 57.451 52.243 1.00 0.00 SOLV H ATOM 24648 OH2 TIP3 7540 51.181 61.424 52.776 1.00 0.00 SOLV O ATOM 24649 H1 TIP3 7540 50.470 61.336 53.452 1.00 0.00 SOLV H ATOM 24650 H2 TIP3 7540 51.199 62.388 52.614 1.00 0.00 SOLV H ATOM 24651 OH2 TIP3 7541 52.061 65.980 38.576 1.00 0.00 SOLV O ATOM 24652 H1 TIP3 7541 52.008 65.989 37.600 1.00 0.00 SOLV H ATOM 24653 H2 TIP3 7541 52.931 66.403 38.721 1.00 0.00 SOLV H ATOM 24654 OH2 TIP3 7542 47.677 59.995 39.387 1.00 0.00 SOLV O ATOM 24655 H1 TIP3 7542 47.069 59.877 40.145 1.00 0.00 SOLV H ATOM 24656 H2 TIP3 7542 47.260 59.379 38.751 1.00 0.00 SOLV H ATOM 24657 OH2 TIP3 7543 43.479 62.943 49.892 1.00 0.00 SOLV O ATOM 24658 H1 TIP3 7543 42.753 63.034 50.547 1.00 0.00 SOLV H ATOM 24659 H2 TIP3 7543 43.517 63.858 49.528 1.00 0.00 SOLV H ATOM 24660 OH2 TIP3 7544 43.500 63.051 44.724 1.00 0.00 SOLV O ATOM 24661 H1 TIP3 7544 42.528 62.929 44.639 1.00 0.00 SOLV H ATOM 24662 H2 TIP3 7544 43.776 62.797 43.813 1.00 0.00 SOLV H ATOM 24663 OH2 TIP3 7545 49.010 63.380 43.589 1.00 0.00 SOLV O ATOM 24664 H1 TIP3 7545 48.790 64.258 43.206 1.00 0.00 SOLV H ATOM 24665 H2 TIP3 7545 49.694 63.066 42.963 1.00 0.00 SOLV H ATOM 24666 OH2 TIP3 7546 48.128 63.628 54.723 1.00 0.00 SOLV O ATOM 24667 H1 TIP3 7546 47.655 62.833 55.058 1.00 0.00 SOLV H ATOM 24668 H2 TIP3 7546 48.962 63.557 55.228 1.00 0.00 SOLV H ATOM 24669 OH2 TIP3 7547 49.914 62.878 46.140 1.00 0.00 SOLV O ATOM 24670 H1 TIP3 7547 49.476 63.355 45.401 1.00 0.00 SOLV H ATOM 24671 H2 TIP3 7547 50.304 62.152 45.608 1.00 0.00 SOLV H ATOM 24672 OH2 TIP3 7548 41.205 63.078 51.387 1.00 0.00 SOLV O ATOM 24673 H1 TIP3 7548 41.185 63.655 52.168 1.00 0.00 SOLV H ATOM 24674 H2 TIP3 7548 40.820 62.244 51.726 1.00 0.00 SOLV H ATOM 24675 OH2 TIP3 7549 44.496 60.563 38.198 1.00 0.00 SOLV O ATOM 24676 H1 TIP3 7549 44.107 60.373 39.075 1.00 0.00 SOLV H ATOM 24677 H2 TIP3 7549 43.905 61.281 37.900 1.00 0.00 SOLV H ATOM 24678 OH2 TIP3 7550 37.797 60.116 45.435 1.00 0.00 SOLV O ATOM 24679 H1 TIP3 7550 38.418 60.198 46.185 1.00 0.00 SOLV H ATOM 24680 H2 TIP3 7550 38.372 59.927 44.677 1.00 0.00 SOLV H ATOM 24681 OH2 TIP3 7551 38.626 60.955 40.702 1.00 0.00 SOLV O ATOM 24682 H1 TIP3 7551 39.317 61.370 40.141 1.00 0.00 SOLV H ATOM 24683 H2 TIP3 7551 38.094 61.747 40.909 1.00 0.00 SOLV H ATOM 24684 OH2 TIP3 7552 49.198 64.411 50.734 1.00 0.00 SOLV O ATOM 24685 H1 TIP3 7552 49.606 63.778 50.095 1.00 0.00 SOLV H ATOM 24686 H2 TIP3 7552 48.614 63.796 51.230 1.00 0.00 SOLV H ATOM 24687 OH2 TIP3 7553 46.361 60.490 45.652 1.00 0.00 SOLV O ATOM 24688 H1 TIP3 7553 45.440 60.553 45.979 1.00 0.00 SOLV H ATOM 24689 H2 TIP3 7553 46.825 60.107 46.419 1.00 0.00 SOLV H ATOM 24690 OH2 TIP3 7554 40.902 62.225 44.498 1.00 0.00 SOLV O ATOM 24691 H1 TIP3 7554 40.104 62.539 44.006 1.00 0.00 SOLV H ATOM 24692 H2 TIP3 7554 41.037 61.330 44.137 1.00 0.00 SOLV H ATOM 24693 OH2 TIP3 7555 44.172 62.214 42.232 1.00 0.00 SOLV O ATOM 24694 H1 TIP3 7555 45.146 62.219 42.260 1.00 0.00 SOLV H ATOM 24695 H2 TIP3 7555 43.973 62.663 41.376 1.00 0.00 SOLV H ATOM 24696 OH2 TIP3 7556 50.459 59.974 48.868 1.00 0.00 SOLV O ATOM 24697 H1 TIP3 7556 49.996 59.966 49.739 1.00 0.00 SOLV H ATOM 24698 H2 TIP3 7556 49.759 59.601 48.303 1.00 0.00 SOLV H ATOM 24699 OH2 TIP3 7557 43.556 63.277 39.833 1.00 0.00 SOLV O ATOM 24700 H1 TIP3 7557 42.968 63.053 39.088 1.00 0.00 SOLV H ATOM 24701 H2 TIP3 7557 44.311 63.680 39.354 1.00 0.00 SOLV H ATOM 24702 OH2 TIP3 7558 41.864 67.594 54.632 1.00 0.00 SOLV O ATOM 24703 H1 TIP3 7558 42.254 68.407 54.994 1.00 0.00 SOLV H ATOM 24704 H2 TIP3 7558 40.996 67.580 55.080 1.00 0.00 SOLV H ATOM 24705 OH2 TIP3 7559 47.173 63.429 47.571 1.00 0.00 SOLV O ATOM 24706 H1 TIP3 7559 47.886 62.903 47.184 1.00 0.00 SOLV H ATOM 24707 H2 TIP3 7559 46.831 62.833 48.271 1.00 0.00 SOLV H ATOM 24708 OH2 TIP3 7560 42.125 59.565 44.151 1.00 0.00 SOLV O ATOM 24709 H1 TIP3 7560 41.503 58.840 44.393 1.00 0.00 SOLV H ATOM 24710 H2 TIP3 7560 42.575 59.163 43.397 1.00 0.00 SOLV H ATOM 24711 OH2 TIP3 7561 46.084 62.054 49.876 1.00 0.00 SOLV O ATOM 24712 H1 TIP3 7561 45.182 62.434 49.951 1.00 0.00 SOLV H ATOM 24713 H2 TIP3 7561 46.527 62.376 50.686 1.00 0.00 SOLV H ATOM 24714 OH2 TIP3 7562 46.562 67.544 41.590 1.00 0.00 SOLV O ATOM 24715 H1 TIP3 7562 45.779 67.375 41.038 1.00 0.00 SOLV H ATOM 24716 H2 TIP3 7562 46.140 67.751 42.454 1.00 0.00 SOLV H ATOM 24717 OH2 TIP3 7563 53.615 67.247 50.476 1.00 0.00 SOLV O ATOM 24718 H1 TIP3 7563 54.168 67.813 49.901 1.00 0.00 SOLV H ATOM 24719 H2 TIP3 7563 52.890 66.969 49.877 1.00 0.00 SOLV H ATOM 24720 OH2 TIP3 7564 50.249 60.550 40.012 1.00 0.00 SOLV O ATOM 24721 H1 TIP3 7564 49.287 60.505 39.789 1.00 0.00 SOLV H ATOM 24722 H2 TIP3 7564 50.336 61.419 40.451 1.00 0.00 SOLV H ATOM 24723 OH2 TIP3 7565 48.215 67.802 53.075 1.00 0.00 SOLV O ATOM 24724 H1 TIP3 7565 48.411 67.342 53.908 1.00 0.00 SOLV H ATOM 24725 H2 TIP3 7565 47.278 68.024 53.186 1.00 0.00 SOLV H ATOM 24726 OH2 TIP3 7566 50.944 62.709 41.687 1.00 0.00 SOLV O ATOM 24727 H1 TIP3 7566 51.842 62.608 42.053 1.00 0.00 SOLV H ATOM 24728 H2 TIP3 7566 50.960 63.627 41.349 1.00 0.00 SOLV H ATOM 24729 OH2 TIP3 7567 41.609 67.352 47.373 1.00 0.00 SOLV O ATOM 24730 H1 TIP3 7567 42.245 67.121 46.662 1.00 0.00 SOLV H ATOM 24731 H2 TIP3 7567 41.753 66.635 48.009 1.00 0.00 SOLV H ATOM 24732 OH2 TIP3 7568 38.977 65.335 52.665 1.00 0.00 SOLV O ATOM 24733 H1 TIP3 7568 38.644 65.007 53.524 1.00 0.00 SOLV H ATOM 24734 H2 TIP3 7568 38.220 65.111 52.093 1.00 0.00 SOLV H ATOM 24735 OH2 TIP3 7569 45.840 65.103 55.063 1.00 0.00 SOLV O ATOM 24736 H1 TIP3 7569 45.240 64.957 54.306 1.00 0.00 SOLV H ATOM 24737 H2 TIP3 7569 46.690 64.791 54.681 1.00 0.00 SOLV H ATOM 24738 OH2 TIP3 7570 55.733 63.105 41.310 1.00 0.00 SOLV O ATOM 24739 H1 TIP3 7570 55.277 62.902 40.458 1.00 0.00 SOLV H ATOM 24740 H2 TIP3 7570 55.929 64.049 41.111 1.00 0.00 SOLV H ATOM 24741 OH2 TIP3 7571 56.070 68.484 54.036 1.00 0.00 SOLV O ATOM 24742 H1 TIP3 7571 55.409 69.141 53.725 1.00 0.00 SOLV H ATOM 24743 H2 TIP3 7571 56.523 68.327 53.174 1.00 0.00 SOLV H ATOM 24744 OH2 TIP3 7572 51.485 66.265 48.820 1.00 0.00 SOLV O ATOM 24745 H1 TIP3 7572 50.527 66.241 48.617 1.00 0.00 SOLV H ATOM 24746 H2 TIP3 7572 51.790 65.474 48.327 1.00 0.00 SOLV H ATOM 24747 OH2 TIP3 7573 39.920 65.456 39.525 1.00 0.00 SOLV O ATOM 24748 H1 TIP3 7573 40.327 66.207 40.008 1.00 0.00 SOLV H ATOM 24749 H2 TIP3 7573 38.985 65.534 39.828 1.00 0.00 SOLV H ATOM 24750 OH2 TIP3 7574 45.337 67.908 43.995 1.00 0.00 SOLV O ATOM 24751 H1 TIP3 7574 45.235 68.840 44.275 1.00 0.00 SOLV H ATOM 24752 H2 TIP3 7574 44.656 67.476 44.536 1.00 0.00 SOLV H ATOM 24753 OH2 TIP3 7575 49.312 68.190 50.585 1.00 0.00 SOLV O ATOM 24754 H1 TIP3 7575 49.062 67.783 51.439 1.00 0.00 SOLV H ATOM 24755 H2 TIP3 7575 50.099 67.693 50.325 1.00 0.00 SOLV H ATOM 24756 OH2 TIP3 7576 40.125 60.522 52.055 1.00 0.00 SOLV O ATOM 24757 H1 TIP3 7576 39.181 60.749 51.923 1.00 0.00 SOLV H ATOM 24758 H2 TIP3 7576 40.067 59.818 52.718 1.00 0.00 SOLV H ATOM 24759 OH2 TIP3 7577 52.461 67.730 41.670 1.00 0.00 SOLV O ATOM 24760 H1 TIP3 7577 52.434 67.002 42.320 1.00 0.00 SOLV H ATOM 24761 H2 TIP3 7577 53.416 67.779 41.467 1.00 0.00 SOLV H ATOM 24762 OH2 TIP3 7578 41.109 67.513 40.905 1.00 0.00 SOLV O ATOM 24763 H1 TIP3 7578 40.508 68.298 40.917 1.00 0.00 SOLV H ATOM 24764 H2 TIP3 7578 41.853 67.870 40.404 1.00 0.00 SOLV H ATOM 24765 OH2 TIP3 7579 49.201 60.033 51.293 1.00 0.00 SOLV O ATOM 24766 H1 TIP3 7579 49.862 60.232 51.979 1.00 0.00 SOLV H ATOM 24767 H2 TIP3 7579 48.817 59.185 51.606 1.00 0.00 SOLV H ATOM 24768 OH2 TIP3 7580 49.951 59.405 42.653 1.00 0.00 SOLV O ATOM 24769 H1 TIP3 7580 50.061 59.821 41.775 1.00 0.00 SOLV H ATOM 24770 H2 TIP3 7580 50.351 60.076 43.248 1.00 0.00 SOLV H ATOM 24771 OH2 TIP3 7581 46.829 61.726 43.223 1.00 0.00 SOLV O ATOM 24772 H1 TIP3 7581 47.579 62.340 43.382 1.00 0.00 SOLV H ATOM 24773 H2 TIP3 7581 46.644 61.417 44.136 1.00 0.00 SOLV H ATOM 24774 OH2 TIP3 7582 47.721 62.619 52.142 1.00 0.00 SOLV O ATOM 24775 H1 TIP3 7582 47.835 62.929 53.065 1.00 0.00 SOLV H ATOM 24776 H2 TIP3 7582 48.060 61.709 52.191 1.00 0.00 SOLV H ATOM 24777 OH2 TIP3 7583 47.548 58.479 43.782 1.00 0.00 SOLV O ATOM 24778 H1 TIP3 7583 47.387 59.187 44.434 1.00 0.00 SOLV H ATOM 24779 H2 TIP3 7583 48.407 58.773 43.398 1.00 0.00 SOLV H ATOM 24780 OH2 TIP3 7584 43.551 59.942 40.713 1.00 0.00 SOLV O ATOM 24781 H1 TIP3 7584 43.506 60.724 41.298 1.00 0.00 SOLV H ATOM 24782 H2 TIP3 7584 44.431 59.597 40.978 1.00 0.00 SOLV H ATOM 24783 OH2 TIP3 7585 53.649 60.492 53.269 1.00 0.00 SOLV O ATOM 24784 H1 TIP3 7585 52.691 60.675 53.142 1.00 0.00 SOLV H ATOM 24785 H2 TIP3 7585 53.868 60.141 52.396 1.00 0.00 SOLV H ATOM 24786 OH2 TIP3 7586 52.259 64.159 47.193 1.00 0.00 SOLV O ATOM 24787 H1 TIP3 7586 51.426 63.720 46.932 1.00 0.00 SOLV H ATOM 24788 H2 TIP3 7586 52.717 63.450 47.697 1.00 0.00 SOLV H ATOM 24789 OH2 TIP3 7587 39.866 62.759 39.077 1.00 0.00 SOLV O ATOM 24790 H1 TIP3 7587 40.037 63.679 39.360 1.00 0.00 SOLV H ATOM 24791 H2 TIP3 7587 39.272 62.895 38.330 1.00 0.00 SOLV H ATOM 24792 OH2 TIP3 7588 40.906 57.692 47.487 1.00 0.00 SOLV O ATOM 24793 H1 TIP3 7588 40.795 57.584 46.517 1.00 0.00 SOLV H ATOM 24794 H2 TIP3 7588 40.539 56.847 47.820 1.00 0.00 SOLV H ATOM 24795 OH2 TIP3 7589 39.279 67.803 55.690 1.00 0.00 SOLV O ATOM 24796 H1 TIP3 7589 39.277 66.825 55.728 1.00 0.00 SOLV H ATOM 24797 H2 TIP3 7589 38.516 67.975 55.094 1.00 0.00 SOLV H ATOM 24798 OH2 TIP3 7590 43.336 67.791 38.259 1.00 0.00 SOLV O ATOM 24799 H1 TIP3 7590 43.655 67.310 39.054 1.00 0.00 SOLV H ATOM 24800 H2 TIP3 7590 44.153 67.798 37.711 1.00 0.00 SOLV H ATOM 24801 OH2 TIP3 7591 51.358 67.984 53.022 1.00 0.00 SOLV O ATOM 24802 H1 TIP3 7591 52.082 68.359 52.501 1.00 0.00 SOLV H ATOM 24803 H2 TIP3 7591 50.642 68.615 52.879 1.00 0.00 SOLV H ATOM 24804 OH2 TIP3 7592 39.937 65.091 55.682 1.00 0.00 SOLV O ATOM 24805 H1 TIP3 7592 40.658 64.500 55.441 1.00 0.00 SOLV H ATOM 24806 H2 TIP3 7592 40.048 65.180 56.650 1.00 0.00 SOLV H ATOM 24807 OH2 TIP3 7593 44.321 66.411 40.370 1.00 0.00 SOLV O ATOM 24808 H1 TIP3 7593 43.923 65.954 41.129 1.00 0.00 SOLV H ATOM 24809 H2 TIP3 7593 44.806 65.685 39.919 1.00 0.00 SOLV H ATOM 24810 OH2 TIP3 7594 43.968 64.154 52.994 1.00 0.00 SOLV O ATOM 24811 H1 TIP3 7594 43.190 64.725 52.811 1.00 0.00 SOLV H ATOM 24812 H2 TIP3 7594 44.651 64.570 52.418 1.00 0.00 SOLV H ATOM 24813 OH2 TIP3 7595 45.708 64.587 38.773 1.00 0.00 SOLV O ATOM 24814 H1 TIP3 7595 45.749 64.892 37.842 1.00 0.00 SOLV H ATOM 24815 H2 TIP3 7595 46.664 64.453 38.954 1.00 0.00 SOLV H ATOM 24816 OH2 TIP3 7596 48.638 66.591 56.062 1.00 0.00 SOLV O ATOM 24817 H1 TIP3 7596 49.594 66.680 56.005 1.00 0.00 SOLV H ATOM 24818 H2 TIP3 7596 48.558 65.917 56.760 1.00 0.00 SOLV H ATOM 24819 OH2 TIP3 7597 54.693 67.012 38.431 1.00 0.00 SOLV O ATOM 24820 H1 TIP3 7597 54.698 66.949 37.455 1.00 0.00 SOLV H ATOM 24821 H2 TIP3 7597 54.933 67.942 38.587 1.00 0.00 SOLV H ATOM 24822 OH2 TIP3 7598 44.376 61.633 53.839 1.00 0.00 SOLV O ATOM 24823 H1 TIP3 7598 44.460 61.043 53.061 1.00 0.00 SOLV H ATOM 24824 H2 TIP3 7598 44.247 62.512 53.410 1.00 0.00 SOLV H ATOM 24825 OH2 TIP3 7599 44.655 60.012 51.540 1.00 0.00 SOLV O ATOM 24826 H1 TIP3 7599 45.199 60.478 50.882 1.00 0.00 SOLV H ATOM 24827 H2 TIP3 7599 43.778 59.989 51.098 1.00 0.00 SOLV H ATOM 24828 OH2 TIP3 7600 45.897 65.419 51.680 1.00 0.00 SOLV O ATOM 24829 H1 TIP3 7600 46.832 65.406 51.442 1.00 0.00 SOLV H ATOM 24830 H2 TIP3 7600 45.546 66.188 51.191 1.00 0.00 SOLV H ATOM 24831 OH2 TIP3 7601 50.187 63.132 56.560 1.00 0.00 SOLV O ATOM 24832 H1 TIP3 7601 50.374 62.277 57.001 1.00 0.00 SOLV H ATOM 24833 H2 TIP3 7601 51.079 63.483 56.429 1.00 0.00 SOLV H ATOM 24834 OH2 TIP3 7602 51.857 65.923 54.687 1.00 0.00 SOLV O ATOM 24835 H1 TIP3 7602 51.607 66.705 54.140 1.00 0.00 SOLV H ATOM 24836 H2 TIP3 7602 52.839 66.003 54.645 1.00 0.00 SOLV H ATOM 24837 OH2 TIP3 7603 42.715 62.327 55.957 1.00 0.00 SOLV O ATOM 24838 H1 TIP3 7603 41.913 61.784 55.798 1.00 0.00 SOLV H ATOM 24839 H2 TIP3 7603 43.213 62.188 55.121 1.00 0.00 SOLV H ATOM 24840 OH2 TIP3 7604 45.342 57.282 51.979 1.00 0.00 SOLV O ATOM 24841 H1 TIP3 7604 45.050 58.202 51.816 1.00 0.00 SOLV H ATOM 24842 H2 TIP3 7604 44.627 56.770 51.547 1.00 0.00 SOLV H ATOM 24843 OH2 TIP3 7605 46.709 61.450 55.450 1.00 0.00 SOLV O ATOM 24844 H1 TIP3 7605 46.466 61.015 56.288 1.00 0.00 SOLV H ATOM 24845 H2 TIP3 7605 45.855 61.402 54.969 1.00 0.00 SOLV H ATOM 24846 OH2 TIP3 7606 49.234 60.768 54.474 1.00 0.00 SOLV O ATOM 24847 H1 TIP3 7606 48.382 60.817 54.950 1.00 0.00 SOLV H ATOM 24848 H2 TIP3 7606 49.799 60.272 55.102 1.00 0.00 SOLV H ATOM 24849 OH2 TIP3 7607 51.080 59.517 56.156 1.00 0.00 SOLV O ATOM 24850 H1 TIP3 7607 50.977 58.544 56.200 1.00 0.00 SOLV H ATOM 24851 H2 TIP3 7607 50.795 59.813 57.048 1.00 0.00 SOLV H ATOM 24852 OH2 TIP3 7608 40.724 60.454 55.676 1.00 0.00 SOLV O ATOM 24853 H1 TIP3 7608 40.683 59.627 55.155 1.00 0.00 SOLV H ATOM 24854 H2 TIP3 7608 40.872 60.091 56.577 1.00 0.00 SOLV H ATOM 24855 OH2 TIP3 7609 45.480 56.683 54.656 1.00 0.00 SOLV O ATOM 24856 H1 TIP3 7609 46.045 55.888 54.570 1.00 0.00 SOLV H ATOM 24857 H2 TIP3 7609 45.365 56.912 53.710 1.00 0.00 SOLV H ATOM 24858 OH2 TIP3 7610 46.007 58.309 56.804 1.00 0.00 SOLV O ATOM 24859 H1 TIP3 7610 45.855 57.765 55.999 1.00 0.00 SOLV H ATOM 24860 H2 TIP3 7610 45.343 59.020 56.707 1.00 0.00 SOLV H ATOM 24861 OH2 TIP3 7611 55.323 67.297 42.141 1.00 0.00 SOLV O ATOM 24862 H1 TIP3 7611 55.569 68.234 42.149 1.00 0.00 SOLV H ATOM 24863 H2 TIP3 7611 55.663 66.936 42.986 1.00 0.00 SOLV H ATOM 24864 OH2 TIP3 7612 56.046 65.663 44.262 1.00 0.00 SOLV O ATOM 24865 H1 TIP3 7612 55.191 65.275 44.554 1.00 0.00 SOLV H ATOM 24866 H2 TIP3 7612 56.557 65.714 45.097 1.00 0.00 SOLV H ATOM 24867 OH2 TIP3 7613 55.618 68.625 49.282 1.00 0.00 SOLV O ATOM 24868 H1 TIP3 7613 56.233 68.116 48.724 1.00 0.00 SOLV H ATOM 24869 H2 TIP3 7613 55.148 69.195 48.632 1.00 0.00 SOLV H ATOM 24870 OH2 TIP3 7614 56.162 65.585 40.263 1.00 0.00 SOLV O ATOM 24871 H1 TIP3 7614 55.632 65.938 39.515 1.00 0.00 SOLV H ATOM 24872 H2 TIP3 7614 55.853 66.207 40.963 1.00 0.00 SOLV H ATOM 24873 OH2 TIP3 7615 54.653 62.780 38.840 1.00 0.00 SOLV O ATOM 24874 H1 TIP3 7615 54.406 63.404 38.148 1.00 0.00 SOLV H ATOM 24875 H2 TIP3 7615 54.371 61.934 38.435 1.00 0.00 SOLV H ATOM 24876 OH2 TIP3 7616 53.693 64.377 44.868 1.00 0.00 SOLV O ATOM 24877 H1 TIP3 7616 53.592 63.487 44.488 1.00 0.00 SOLV H ATOM 24878 H2 TIP3 7616 53.242 64.296 45.736 1.00 0.00 SOLV H ATOM 24879 OH2 TIP3 7617 38.464 66.384 48.745 1.00 0.00 SOLV O ATOM 24880 H1 TIP3 7617 38.616 66.221 47.789 1.00 0.00 SOLV H ATOM 24881 H2 TIP3 7617 39.353 66.146 49.096 1.00 0.00 SOLV H ATOM 24882 OH2 TIP3 7618 54.539 66.315 54.594 1.00 0.00 SOLV O ATOM 24883 H1 TIP3 7618 55.151 65.561 54.458 1.00 0.00 SOLV H ATOM 24884 H2 TIP3 7618 55.064 67.064 54.242 1.00 0.00 SOLV H ATOM 24885 OH2 TIP3 7619 56.025 64.013 54.367 1.00 0.00 SOLV O ATOM 24886 H1 TIP3 7619 55.132 63.623 54.496 1.00 0.00 SOLV H ATOM 24887 H2 TIP3 7619 56.581 63.246 54.623 1.00 0.00 SOLV H ATOM 24888 OH2 TIP3 7620 53.814 60.363 37.806 1.00 0.00 SOLV O ATOM 24889 H1 TIP3 7620 54.168 59.844 38.553 1.00 0.00 SOLV H ATOM 24890 H2 TIP3 7620 52.899 60.033 37.715 1.00 0.00 SOLV H ATOM 24891 OH2 TIP3 7621 53.499 61.997 43.017 1.00 0.00 SOLV O ATOM 24892 H1 TIP3 7621 53.745 61.041 43.011 1.00 0.00 SOLV H ATOM 24893 H2 TIP3 7621 54.251 62.369 42.520 1.00 0.00 SOLV H ATOM 24894 OH2 TIP3 7622 53.795 62.250 48.470 1.00 0.00 SOLV O ATOM 24895 H1 TIP3 7622 54.755 62.397 48.306 1.00 0.00 SOLV H ATOM 24896 H2 TIP3 7622 53.774 62.440 49.429 1.00 0.00 SOLV H ATOM 24897 OH2 TIP3 7623 54.124 63.140 51.118 1.00 0.00 SOLV O ATOM 24898 H1 TIP3 7623 53.325 63.490 51.552 1.00 0.00 SOLV H ATOM 24899 H2 TIP3 7623 54.654 63.957 50.990 1.00 0.00 SOLV H ATOM 24900 OH2 TIP3 7624 38.372 61.596 54.913 1.00 0.00 SOLV O ATOM 24901 H1 TIP3 7624 39.275 61.321 55.177 1.00 0.00 SOLV H ATOM 24902 H2 TIP3 7624 37.916 60.730 54.931 1.00 0.00 SOLV H ATOM 24903 OH2 TIP3 7625 56.361 57.376 56.503 1.00 0.00 SOLV O ATOM 24904 H1 TIP3 7625 56.981 56.726 56.107 1.00 0.00 SOLV H ATOM 24905 H2 TIP3 7625 56.312 58.055 55.795 1.00 0.00 SOLV H ATOM 24906 OH2 TIP3 7626 54.064 59.290 43.041 1.00 0.00 SOLV O ATOM 24907 H1 TIP3 7626 54.240 58.859 43.903 1.00 0.00 SOLV H ATOM 24908 H2 TIP3 7626 53.362 58.703 42.689 1.00 0.00 SOLV H ATOM 24909 OH2 TIP3 7627 39.419 60.038 47.699 1.00 0.00 SOLV O ATOM 24910 H1 TIP3 7627 39.876 59.173 47.708 1.00 0.00 SOLV H ATOM 24911 H2 TIP3 7627 40.154 60.638 47.909 1.00 0.00 SOLV H ATOM 24912 OH2 TIP3 7628 37.612 62.886 48.517 1.00 0.00 SOLV O ATOM 24913 H1 TIP3 7628 38.339 62.929 47.865 1.00 0.00 SOLV H ATOM 24914 H2 TIP3 7628 37.871 63.564 49.151 1.00 0.00 SOLV H ATOM 24915 OH2 TIP3 7629 55.762 59.229 54.622 1.00 0.00 SOLV O ATOM 24916 H1 TIP3 7629 54.971 59.775 54.814 1.00 0.00 SOLV H ATOM 24917 H2 TIP3 7629 55.437 58.733 53.844 1.00 0.00 SOLV H ATOM 24918 OH2 TIP3 7630 55.580 59.104 39.677 1.00 0.00 SOLV O ATOM 24919 H1 TIP3 7630 56.056 58.547 39.029 1.00 0.00 SOLV H ATOM 24920 H2 TIP3 7630 56.282 59.712 39.985 1.00 0.00 SOLV H ATOM 24921 OH2 TIP3 7631 38.221 59.111 42.646 1.00 0.00 SOLV O ATOM 24922 H1 TIP3 7631 37.250 59.128 42.697 1.00 0.00 SOLV H ATOM 24923 H2 TIP3 7631 38.399 59.840 42.014 1.00 0.00 SOLV H ATOM 24924 OH2 TIP3 7632 38.187 57.835 50.997 1.00 0.00 SOLV O ATOM 24925 H1 TIP3 7632 37.463 57.789 51.642 1.00 0.00 SOLV H ATOM 24926 H2 TIP3 7632 37.821 58.487 50.364 1.00 0.00 SOLV H ATOM 24927 OH2 TIP3 7633 54.839 57.343 52.740 1.00 0.00 SOLV O ATOM 24928 H1 TIP3 7633 54.059 57.442 52.168 1.00 0.00 SOLV H ATOM 24929 H2 TIP3 7633 55.090 56.409 52.555 1.00 0.00 SOLV H ATOM 24930 OH2 TIP3 7634 48.170 58.795 47.190 1.00 0.00 SOLV O ATOM 24931 H1 TIP3 7634 47.550 58.066 47.366 1.00 0.00 SOLV H ATOM 24932 H2 TIP3 7634 48.947 58.329 46.823 1.00 0.00 SOLV H ATOM 24933 OH2 TIP3 7635 53.195 56.876 47.072 1.00 0.00 SOLV O ATOM 24934 H1 TIP3 7635 53.812 57.460 46.578 1.00 0.00 SOLV H ATOM 24935 H2 TIP3 7635 52.337 57.308 46.899 1.00 0.00 SOLV H ATOM 24936 OH2 TIP3 7636 54.939 58.041 45.332 1.00 0.00 SOLV O ATOM 24937 H1 TIP3 7636 55.685 57.462 45.072 1.00 0.00 SOLV H ATOM 24938 H2 TIP3 7636 55.429 58.879 45.505 1.00 0.00 SOLV H ATOM 24939 OH2 TIP3 7637 40.560 57.427 44.760 1.00 0.00 SOLV O ATOM 24940 H1 TIP3 7637 39.624 57.256 44.506 1.00 0.00 SOLV H ATOM 24941 H2 TIP3 7637 40.934 56.526 44.637 1.00 0.00 SOLV H ATOM 24942 OH2 TIP3 7638 39.392 57.292 40.750 1.00 0.00 SOLV O ATOM 24943 H1 TIP3 7638 39.913 57.918 40.218 1.00 0.00 SOLV H ATOM 24944 H2 TIP3 7638 39.042 57.867 41.460 1.00 0.00 SOLV H ATOM 24945 OH2 TIP3 7639 45.273 57.062 44.809 1.00 0.00 SOLV O ATOM 24946 H1 TIP3 7639 46.021 57.545 44.419 1.00 0.00 SOLV H ATOM 24947 H2 TIP3 7639 45.384 57.235 45.755 1.00 0.00 SOLV H ATOM 24948 OH2 TIP3 7640 50.545 57.555 46.255 1.00 0.00 SOLV O ATOM 24949 H1 TIP3 7640 50.753 57.299 45.347 1.00 0.00 SOLV H ATOM 24950 H2 TIP3 7640 50.228 56.699 46.629 1.00 0.00 SOLV H ATOM 24951 OH2 TIP3 7641 52.034 57.625 42.094 1.00 0.00 SOLV O ATOM 24952 H1 TIP3 7641 51.238 58.179 42.230 1.00 0.00 SOLV H ATOM 24953 H2 TIP3 7641 51.649 56.731 42.225 1.00 0.00 SOLV H ATOM 24954 OH2 TIP3 7642 41.393 59.009 39.080 1.00 0.00 SOLV O ATOM 24955 H1 TIP3 7642 41.892 58.408 38.491 1.00 0.00 SOLV H ATOM 24956 H2 TIP3 7642 42.088 59.298 39.705 1.00 0.00 SOLV H ATOM 24957 OH2 TIP3 7643 46.146 59.619 41.632 1.00 0.00 SOLV O ATOM 24958 H1 TIP3 7643 46.473 58.927 42.233 1.00 0.00 SOLV H ATOM 24959 H2 TIP3 7643 46.403 60.419 42.141 1.00 0.00 SOLV H ATOM 24960 OH2 TIP3 7644 40.507 58.003 54.347 1.00 0.00 SOLV O ATOM 24961 H1 TIP3 7644 39.912 57.279 54.627 1.00 0.00 SOLV H ATOM 24962 H2 TIP3 7644 41.321 57.758 54.838 1.00 0.00 SOLV H ATOM 24963 OH2 TIP3 7645 42.594 57.294 56.058 1.00 0.00 SOLV O ATOM 24964 H1 TIP3 7645 43.480 56.961 55.830 1.00 0.00 SOLV H ATOM 24965 H2 TIP3 7645 42.195 56.506 56.483 1.00 0.00 SOLV H ATOM 24966 OH2 TIP3 7646 51.148 56.732 56.134 1.00 0.00 SOLV O ATOM 24967 H1 TIP3 7646 51.012 56.241 56.974 1.00 0.00 SOLV H ATOM 24968 H2 TIP3 7646 52.105 56.586 55.979 1.00 0.00 SOLV H ATOM 24969 OH2 TIP3 7647 67.960 66.395 44.188 1.00 0.00 SOLV O ATOM 24970 H1 TIP3 7647 68.436 66.795 44.933 1.00 0.00 SOLV H ATOM 24971 H2 TIP3 7647 67.196 66.981 44.088 1.00 0.00 SOLV H ATOM 24972 OH2 TIP3 7648 67.117 65.837 48.217 1.00 0.00 SOLV O ATOM 24973 H1 TIP3 7648 67.968 65.469 48.526 1.00 0.00 SOLV H ATOM 24974 H2 TIP3 7648 66.777 65.114 47.670 1.00 0.00 SOLV H ATOM 24975 OH2 TIP3 7649 59.651 65.451 49.834 1.00 0.00 SOLV O ATOM 24976 H1 TIP3 7649 59.622 64.577 50.265 1.00 0.00 SOLV H ATOM 24977 H2 TIP3 7649 60.391 65.850 50.314 1.00 0.00 SOLV H ATOM 24978 OH2 TIP3 7650 57.511 63.347 43.420 1.00 0.00 SOLV O ATOM 24979 H1 TIP3 7650 57.094 64.155 43.769 1.00 0.00 SOLV H ATOM 24980 H2 TIP3 7650 56.897 63.143 42.690 1.00 0.00 SOLV H ATOM 24981 OH2 TIP3 7651 57.985 65.665 46.193 1.00 0.00 SOLV O ATOM 24982 H1 TIP3 7651 58.248 64.740 46.401 1.00 0.00 SOLV H ATOM 24983 H2 TIP3 7651 58.846 66.082 46.038 1.00 0.00 SOLV H ATOM 24984 OH2 TIP3 7652 65.586 67.979 48.965 1.00 0.00 SOLV O ATOM 24985 H1 TIP3 7652 66.026 67.155 48.647 1.00 0.00 SOLV H ATOM 24986 H2 TIP3 7652 66.360 68.341 49.459 1.00 0.00 SOLV H ATOM 24987 OH2 TIP3 7653 68.272 61.959 49.192 1.00 0.00 SOLV O ATOM 24988 H1 TIP3 7653 68.642 61.112 48.931 1.00 0.00 SOLV H ATOM 24989 H2 TIP3 7653 68.627 62.553 48.510 1.00 0.00 SOLV H ATOM 24990 OH2 TIP3 7654 62.283 60.791 46.246 1.00 0.00 SOLV O ATOM 24991 H1 TIP3 7654 62.406 61.642 45.774 1.00 0.00 SOLV H ATOM 24992 H2 TIP3 7654 61.818 60.276 45.550 1.00 0.00 SOLV H ATOM 24993 OH2 TIP3 7655 58.786 63.178 46.906 1.00 0.00 SOLV O ATOM 24994 H1 TIP3 7655 59.430 62.752 47.504 1.00 0.00 SOLV H ATOM 24995 H2 TIP3 7655 59.069 62.791 46.049 1.00 0.00 SOLV H ATOM 24996 OH2 TIP3 7656 63.754 64.634 46.423 1.00 0.00 SOLV O ATOM 24997 H1 TIP3 7656 64.525 64.123 46.765 1.00 0.00 SOLV H ATOM 24998 H2 TIP3 7656 63.350 63.973 45.822 1.00 0.00 SOLV H ATOM 24999 OH2 TIP3 7657 61.041 59.802 50.303 1.00 0.00 SOLV O ATOM 25000 H1 TIP3 7657 60.750 60.424 49.609 1.00 0.00 SOLV H ATOM 25001 H2 TIP3 7657 60.320 59.926 50.957 1.00 0.00 SOLV H ATOM 25002 OH2 TIP3 7658 63.363 67.603 50.361 1.00 0.00 SOLV O ATOM 25003 H1 TIP3 7658 62.744 68.224 49.938 1.00 0.00 SOLV H ATOM 25004 H2 TIP3 7658 64.196 67.819 49.880 1.00 0.00 SOLV H ATOM 25005 OH2 TIP3 7659 60.609 61.576 48.231 1.00 0.00 SOLV O ATOM 25006 H1 TIP3 7659 61.224 62.125 48.770 1.00 0.00 SOLV H ATOM 25007 H2 TIP3 7659 61.237 61.243 47.547 1.00 0.00 SOLV H ATOM 25008 OH2 TIP3 7660 64.646 56.941 47.814 1.00 0.00 SOLV O ATOM 25009 H1 TIP3 7660 64.376 56.001 47.759 1.00 0.00 SOLV H ATOM 25010 H2 TIP3 7660 63.827 57.340 48.192 1.00 0.00 SOLV H ATOM 25011 OH2 TIP3 7661 67.382 65.730 41.253 1.00 0.00 SOLV O ATOM 25012 H1 TIP3 7661 66.578 66.300 41.305 1.00 0.00 SOLV H ATOM 25013 H2 TIP3 7661 68.023 66.320 41.670 1.00 0.00 SOLV H ATOM 25014 OH2 TIP3 7662 67.136 64.366 38.996 1.00 0.00 SOLV O ATOM 25015 H1 TIP3 7662 67.220 64.891 39.833 1.00 0.00 SOLV H ATOM 25016 H2 TIP3 7662 67.453 63.500 39.281 1.00 0.00 SOLV H ATOM 25017 OH2 TIP3 7663 62.090 66.513 45.278 1.00 0.00 SOLV O ATOM 25018 H1 TIP3 7663 61.901 66.169 44.379 1.00 0.00 SOLV H ATOM 25019 H2 TIP3 7663 62.693 65.828 45.641 1.00 0.00 SOLV H ATOM 25020 OH2 TIP3 7664 62.506 65.458 48.731 1.00 0.00 SOLV O ATOM 25021 H1 TIP3 7664 63.049 65.283 47.932 1.00 0.00 SOLV H ATOM 25022 H2 TIP3 7664 63.028 66.120 49.216 1.00 0.00 SOLV H ATOM 25023 OH2 TIP3 7665 60.574 65.746 52.714 1.00 0.00 SOLV O ATOM 25024 H1 TIP3 7665 60.710 66.481 53.355 1.00 0.00 SOLV H ATOM 25025 H2 TIP3 7665 59.592 65.702 52.720 1.00 0.00 SOLV H ATOM 25026 OH2 TIP3 7666 61.304 65.803 42.641 1.00 0.00 SOLV O ATOM 25027 H1 TIP3 7666 60.771 66.452 42.131 1.00 0.00 SOLV H ATOM 25028 H2 TIP3 7666 60.816 64.987 42.481 1.00 0.00 SOLV H ATOM 25029 OH2 TIP3 7667 57.118 68.016 51.619 1.00 0.00 SOLV O ATOM 25030 H1 TIP3 7667 56.785 68.074 50.705 1.00 0.00 SOLV H ATOM 25031 H2 TIP3 7667 57.536 67.138 51.646 1.00 0.00 SOLV H ATOM 25032 OH2 TIP3 7668 62.221 57.886 48.681 1.00 0.00 SOLV O ATOM 25033 H1 TIP3 7668 61.426 57.842 48.106 1.00 0.00 SOLV H ATOM 25034 H2 TIP3 7668 61.941 58.610 49.280 1.00 0.00 SOLV H ATOM 25035 OH2 TIP3 7669 66.883 57.407 52.019 1.00 0.00 SOLV O ATOM 25036 H1 TIP3 7669 67.089 56.922 52.835 1.00 0.00 SOLV H ATOM 25037 H2 TIP3 7669 65.900 57.343 52.006 1.00 0.00 SOLV H ATOM 25038 OH2 TIP3 7670 66.791 59.754 39.640 1.00 0.00 SOLV O ATOM 25039 H1 TIP3 7670 66.002 59.657 40.202 1.00 0.00 SOLV H ATOM 25040 H2 TIP3 7670 66.460 59.323 38.828 1.00 0.00 SOLV H ATOM 25041 OH2 TIP3 7671 62.286 63.009 49.849 1.00 0.00 SOLV O ATOM 25042 H1 TIP3 7671 61.591 63.116 50.534 1.00 0.00 SOLV H ATOM 25043 H2 TIP3 7671 62.341 63.922 49.486 1.00 0.00 SOLV H ATOM 25044 OH2 TIP3 7672 62.329 63.038 44.720 1.00 0.00 SOLV O ATOM 25045 H1 TIP3 7672 61.352 62.937 44.690 1.00 0.00 SOLV H ATOM 25046 H2 TIP3 7672 62.547 62.765 43.801 1.00 0.00 SOLV H ATOM 25047 OH2 TIP3 7673 67.432 63.565 43.294 1.00 0.00 SOLV O ATOM 25048 H1 TIP3 7673 67.329 64.536 43.368 1.00 0.00 SOLV H ATOM 25049 H2 TIP3 7673 67.603 63.458 42.348 1.00 0.00 SOLV H ATOM 25050 OH2 TIP3 7674 67.016 63.471 54.554 1.00 0.00 SOLV O ATOM 25051 H1 TIP3 7674 66.579 62.770 55.079 1.00 0.00 SOLV H ATOM 25052 H2 TIP3 7674 67.890 63.536 54.966 1.00 0.00 SOLV H ATOM 25053 OH2 TIP3 7675 68.183 62.554 46.268 1.00 0.00 SOLV O ATOM 25054 H1 TIP3 7675 68.539 63.375 45.911 1.00 0.00 SOLV H ATOM 25055 H2 TIP3 7675 68.597 61.885 45.698 1.00 0.00 SOLV H ATOM 25056 OH2 TIP3 7676 60.051 63.121 51.416 1.00 0.00 SOLV O ATOM 25057 H1 TIP3 7676 60.091 63.656 52.225 1.00 0.00 SOLV H ATOM 25058 H2 TIP3 7676 59.682 62.275 51.738 1.00 0.00 SOLV H ATOM 25059 OH2 TIP3 7677 63.415 60.523 38.241 1.00 0.00 SOLV O ATOM 25060 H1 TIP3 7677 62.971 60.376 39.098 1.00 0.00 SOLV H ATOM 25061 H2 TIP3 7677 62.820 61.199 37.853 1.00 0.00 SOLV H ATOM 25062 OH2 TIP3 7678 56.672 60.088 45.429 1.00 0.00 SOLV O ATOM 25063 H1 TIP3 7678 57.241 60.207 46.218 1.00 0.00 SOLV H ATOM 25064 H2 TIP3 7678 57.308 59.977 44.712 1.00 0.00 SOLV H ATOM 25065 OH2 TIP3 7679 57.469 60.964 40.703 1.00 0.00 SOLV O ATOM 25066 H1 TIP3 7679 58.149 61.396 40.139 1.00 0.00 SOLV H ATOM 25067 H2 TIP3 7679 56.936 61.752 40.928 1.00 0.00 SOLV H ATOM 25068 OH2 TIP3 7680 68.190 64.256 51.143 1.00 0.00 SOLV O ATOM 25069 H1 TIP3 7680 68.394 63.809 50.303 1.00 0.00 SOLV H ATOM 25070 H2 TIP3 7680 67.436 63.710 51.438 1.00 0.00 SOLV H ATOM 25071 OH2 TIP3 7681 64.941 60.544 45.621 1.00 0.00 SOLV O ATOM 25072 H1 TIP3 7681 64.075 60.567 46.082 1.00 0.00 SOLV H ATOM 25073 H2 TIP3 7681 65.527 60.183 46.304 1.00 0.00 SOLV H ATOM 25074 OH2 TIP3 7682 59.743 62.235 44.504 1.00 0.00 SOLV O ATOM 25075 H1 TIP3 7682 58.945 62.549 44.011 1.00 0.00 SOLV H ATOM 25076 H2 TIP3 7682 59.888 61.345 44.136 1.00 0.00 SOLV H ATOM 25077 OH2 TIP3 7683 62.924 62.150 42.219 1.00 0.00 SOLV O ATOM 25078 H1 TIP3 7683 63.892 62.173 42.227 1.00 0.00 SOLV H ATOM 25079 H2 TIP3 7683 62.708 62.618 41.376 1.00 0.00 SOLV H ATOM 25080 OH2 TIP3 7684 62.439 63.244 39.804 1.00 0.00 SOLV O ATOM 25081 H1 TIP3 7684 61.833 63.030 39.072 1.00 0.00 SOLV H ATOM 25082 H2 TIP3 7684 63.161 63.686 39.308 1.00 0.00 SOLV H ATOM 25083 OH2 TIP3 7685 60.677 67.543 54.795 1.00 0.00 SOLV O ATOM 25084 H1 TIP3 7685 61.169 67.508 55.637 1.00 0.00 SOLV H ATOM 25085 H2 TIP3 7685 59.780 67.751 55.123 1.00 0.00 SOLV H ATOM 25086 OH2 TIP3 7686 65.776 63.140 47.431 1.00 0.00 SOLV O ATOM 25087 H1 TIP3 7686 66.608 62.803 47.032 1.00 0.00 SOLV H ATOM 25088 H2 TIP3 7686 65.696 62.572 48.219 1.00 0.00 SOLV H ATOM 25089 OH2 TIP3 7687 60.945 59.588 44.144 1.00 0.00 SOLV O ATOM 25090 H1 TIP3 7687 60.334 58.856 44.391 1.00 0.00 SOLV H ATOM 25091 H2 TIP3 7687 61.415 59.182 43.405 1.00 0.00 SOLV H ATOM 25092 OH2 TIP3 7688 64.753 61.810 49.945 1.00 0.00 SOLV O ATOM 25093 H1 TIP3 7688 63.951 62.373 49.933 1.00 0.00 SOLV H ATOM 25094 H2 TIP3 7688 65.286 62.208 50.670 1.00 0.00 SOLV H ATOM 25095 OH2 TIP3 7689 65.381 67.501 41.612 1.00 0.00 SOLV O ATOM 25096 H1 TIP3 7689 64.569 67.442 41.073 1.00 0.00 SOLV H ATOM 25097 H2 TIP3 7689 64.995 67.738 42.487 1.00 0.00 SOLV H ATOM 25098 OH2 TIP3 7690 66.892 67.781 53.350 1.00 0.00 SOLV O ATOM 25099 H1 TIP3 7690 67.135 67.328 54.180 1.00 0.00 SOLV H ATOM 25100 H2 TIP3 7690 65.959 67.979 53.502 1.00 0.00 SOLV H ATOM 25101 OH2 TIP3 7691 60.402 67.284 47.305 1.00 0.00 SOLV O ATOM 25102 H1 TIP3 7691 61.083 67.094 46.624 1.00 0.00 SOLV H ATOM 25103 H2 TIP3 7691 60.646 66.654 48.003 1.00 0.00 SOLV H ATOM 25104 OH2 TIP3 7692 57.856 65.396 52.704 1.00 0.00 SOLV O ATOM 25105 H1 TIP3 7692 57.603 65.081 53.595 1.00 0.00 SOLV H ATOM 25106 H2 TIP3 7692 57.090 65.087 52.190 1.00 0.00 SOLV H ATOM 25107 OH2 TIP3 7693 64.786 65.298 54.877 1.00 0.00 SOLV O ATOM 25108 H1 TIP3 7693 64.175 64.870 54.249 1.00 0.00 SOLV H ATOM 25109 H2 TIP3 7693 65.636 64.875 54.640 1.00 0.00 SOLV H ATOM 25110 OH2 TIP3 7694 58.798 65.446 39.556 1.00 0.00 SOLV O ATOM 25111 H1 TIP3 7694 59.192 66.216 40.021 1.00 0.00 SOLV H ATOM 25112 H2 TIP3 7694 57.856 65.531 39.835 1.00 0.00 SOLV H ATOM 25113 OH2 TIP3 7695 64.292 67.874 44.088 1.00 0.00 SOLV O ATOM 25114 H1 TIP3 7695 64.158 68.823 44.292 1.00 0.00 SOLV H ATOM 25115 H2 TIP3 7695 63.563 67.475 44.592 1.00 0.00 SOLV H ATOM 25116 OH2 TIP3 7696 67.978 68.328 50.118 1.00 0.00 SOLV O ATOM 25117 H1 TIP3 7696 68.236 68.059 51.011 1.00 0.00 SOLV H ATOM 25118 H2 TIP3 7696 68.732 67.976 49.596 1.00 0.00 SOLV H ATOM 25119 OH2 TIP3 7697 58.998 60.510 52.065 1.00 0.00 SOLV O ATOM 25120 H1 TIP3 7697 58.049 60.714 51.948 1.00 0.00 SOLV H ATOM 25121 H2 TIP3 7697 58.969 59.831 52.757 1.00 0.00 SOLV H ATOM 25122 OH2 TIP3 7698 59.968 67.527 40.913 1.00 0.00 SOLV O ATOM 25123 H1 TIP3 7698 59.353 68.302 40.931 1.00 0.00 SOLV H ATOM 25124 H2 TIP3 7698 60.698 67.900 40.401 1.00 0.00 SOLV H ATOM 25125 OH2 TIP3 7699 67.869 60.069 52.049 1.00 0.00 SOLV O ATOM 25126 H1 TIP3 7699 67.808 60.120 53.033 1.00 0.00 SOLV H ATOM 25127 H2 TIP3 7699 67.338 59.276 51.869 1.00 0.00 SOLV H ATOM 25128 OH2 TIP3 7700 68.831 60.878 42.005 1.00 0.00 SOLV O ATOM 25129 H1 TIP3 7700 68.026 60.544 41.565 1.00 0.00 SOLV H ATOM 25130 H2 TIP3 7700 68.496 61.071 42.896 1.00 0.00 SOLV H ATOM 25131 OH2 TIP3 7701 65.633 61.511 43.246 1.00 0.00 SOLV O ATOM 25132 H1 TIP3 7701 66.149 62.325 43.441 1.00 0.00 SOLV H ATOM 25133 H2 TIP3 7701 65.242 61.335 44.138 1.00 0.00 SOLV H ATOM 25134 OH2 TIP3 7702 66.344 62.449 52.059 1.00 0.00 SOLV O ATOM 25135 H1 TIP3 7702 66.563 62.740 52.968 1.00 0.00 SOLV H ATOM 25136 H2 TIP3 7702 66.931 61.675 51.931 1.00 0.00 SOLV H ATOM 25137 OH2 TIP3 7703 66.777 58.874 43.831 1.00 0.00 SOLV O ATOM 25138 H1 TIP3 7703 66.923 58.681 44.785 1.00 0.00 SOLV H ATOM 25139 H2 TIP3 7703 66.341 59.746 43.895 1.00 0.00 SOLV H ATOM 25140 OH2 TIP3 7704 62.345 59.889 40.710 1.00 0.00 SOLV O ATOM 25141 H1 TIP3 7704 62.288 60.672 41.293 1.00 0.00 SOLV H ATOM 25142 H2 TIP3 7704 63.242 59.572 40.954 1.00 0.00 SOLV H ATOM 25143 OH2 TIP3 7705 58.730 62.758 39.088 1.00 0.00 SOLV O ATOM 25144 H1 TIP3 7705 58.912 63.674 39.382 1.00 0.00 SOLV H ATOM 25145 H2 TIP3 7705 58.169 62.920 38.320 1.00 0.00 SOLV H ATOM 25146 OH2 TIP3 7706 59.749 57.686 47.487 1.00 0.00 SOLV O ATOM 25147 H1 TIP3 7706 59.637 57.572 46.519 1.00 0.00 SOLV H ATOM 25148 H2 TIP3 7706 59.372 56.850 47.832 1.00 0.00 SOLV H ATOM 25149 OH2 TIP3 7707 58.079 67.812 55.738 1.00 0.00 SOLV O ATOM 25150 H1 TIP3 7707 58.110 66.835 55.766 1.00 0.00 SOLV H ATOM 25151 H2 TIP3 7707 57.302 67.971 55.159 1.00 0.00 SOLV H ATOM 25152 OH2 TIP3 7708 62.193 67.798 38.273 1.00 0.00 SOLV O ATOM 25153 H1 TIP3 7708 62.527 67.324 39.066 1.00 0.00 SOLV H ATOM 25154 H2 TIP3 7708 62.995 67.792 37.703 1.00 0.00 SOLV H ATOM 25155 OH2 TIP3 7709 64.156 68.037 55.235 1.00 0.00 SOLV O ATOM 25156 H1 TIP3 7709 63.859 68.239 54.335 1.00 0.00 SOLV H ATOM 25157 H2 TIP3 7709 64.514 67.129 55.148 1.00 0.00 SOLV H ATOM 25158 OH2 TIP3 7710 58.809 65.082 55.673 1.00 0.00 SOLV O ATOM 25159 H1 TIP3 7710 59.618 64.602 55.461 1.00 0.00 SOLV H ATOM 25160 H2 TIP3 7710 58.895 65.202 56.643 1.00 0.00 SOLV H ATOM 25161 OH2 TIP3 7711 63.127 66.426 40.404 1.00 0.00 SOLV O ATOM 25162 H1 TIP3 7711 62.686 65.985 41.152 1.00 0.00 SOLV H ATOM 25163 H2 TIP3 7711 63.564 65.683 39.937 1.00 0.00 SOLV H ATOM 25164 OH2 TIP3 7712 62.804 64.175 52.963 1.00 0.00 SOLV O ATOM 25165 H1 TIP3 7712 62.056 64.790 52.795 1.00 0.00 SOLV H ATOM 25166 H2 TIP3 7712 63.502 64.560 52.383 1.00 0.00 SOLV H ATOM 25167 OH2 TIP3 7713 64.472 64.683 38.683 1.00 0.00 SOLV O ATOM 25168 H1 TIP3 7713 64.451 64.923 37.730 1.00 0.00 SOLV H ATOM 25169 H2 TIP3 7713 65.438 64.558 38.790 1.00 0.00 SOLV H ATOM 25170 OH2 TIP3 7714 67.530 66.538 55.865 1.00 0.00 SOLV O ATOM 25171 H1 TIP3 7714 68.260 67.016 56.289 1.00 0.00 SOLV H ATOM 25172 H2 TIP3 7714 67.366 65.808 56.490 1.00 0.00 SOLV H ATOM 25173 OH2 TIP3 7715 63.265 61.676 53.823 1.00 0.00 SOLV O ATOM 25174 H1 TIP3 7715 63.318 61.066 53.059 1.00 0.00 SOLV H ATOM 25175 H2 TIP3 7715 63.117 62.545 53.381 1.00 0.00 SOLV H ATOM 25176 OH2 TIP3 7716 63.462 59.957 51.589 1.00 0.00 SOLV O ATOM 25177 H1 TIP3 7716 63.997 60.501 50.973 1.00 0.00 SOLV H ATOM 25178 H2 TIP3 7716 62.591 59.958 51.138 1.00 0.00 SOLV H ATOM 25179 OH2 TIP3 7717 64.727 65.398 51.608 1.00 0.00 SOLV O ATOM 25180 H1 TIP3 7717 65.677 65.456 51.432 1.00 0.00 SOLV H ATOM 25181 H2 TIP3 7717 64.376 66.221 51.224 1.00 0.00 SOLV H ATOM 25182 OH2 TIP3 7718 61.596 62.359 56.013 1.00 0.00 SOLV O ATOM 25183 H1 TIP3 7718 60.808 61.794 55.869 1.00 0.00 SOLV H ATOM 25184 H2 TIP3 7718 62.082 62.230 55.174 1.00 0.00 SOLV H ATOM 25185 OH2 TIP3 7719 64.155 57.261 51.932 1.00 0.00 SOLV O ATOM 25186 H1 TIP3 7719 63.837 58.184 51.820 1.00 0.00 SOLV H ATOM 25187 H2 TIP3 7719 63.422 56.752 51.525 1.00 0.00 SOLV H ATOM 25188 OH2 TIP3 7720 65.485 61.351 55.401 1.00 0.00 SOLV O ATOM 25189 H1 TIP3 7720 64.986 61.054 56.191 1.00 0.00 SOLV H ATOM 25190 H2 TIP3 7720 64.724 61.469 54.786 1.00 0.00 SOLV H ATOM 25191 OH2 TIP3 7721 67.893 60.332 54.700 1.00 0.00 SOLV O ATOM 25192 H1 TIP3 7721 67.003 60.673 54.952 1.00 0.00 SOLV H ATOM 25193 H2 TIP3 7721 67.964 59.556 55.269 1.00 0.00 SOLV H ATOM 25194 OH2 TIP3 7722 59.572 60.472 55.663 1.00 0.00 SOLV O ATOM 25195 H1 TIP3 7722 59.533 59.635 55.160 1.00 0.00 SOLV H ATOM 25196 H2 TIP3 7722 59.686 60.126 56.575 1.00 0.00 SOLV H ATOM 25197 OH2 TIP3 7723 64.496 56.697 54.626 1.00 0.00 SOLV O ATOM 25198 H1 TIP3 7723 65.105 55.937 54.552 1.00 0.00 SOLV H ATOM 25199 H2 TIP3 7723 64.284 56.867 53.687 1.00 0.00 SOLV H ATOM 25200 OH2 TIP3 7724 64.945 58.317 56.788 1.00 0.00 SOLV O ATOM 25201 H1 TIP3 7724 64.783 57.782 55.978 1.00 0.00 SOLV H ATOM 25202 H2 TIP3 7724 64.270 59.023 56.707 1.00 0.00 SOLV H ATOM 25203 OH2 TIP3 7725 57.335 66.422 48.755 1.00 0.00 SOLV O ATOM 25204 H1 TIP3 7725 57.483 66.233 47.804 1.00 0.00 SOLV H ATOM 25205 H2 TIP3 7725 58.221 66.175 49.112 1.00 0.00 SOLV H ATOM 25206 OH2 TIP3 7726 57.223 61.580 54.781 1.00 0.00 SOLV O ATOM 25207 H1 TIP3 7726 58.114 61.342 55.115 1.00 0.00 SOLV H ATOM 25208 H2 TIP3 7726 56.768 60.718 54.873 1.00 0.00 SOLV H ATOM 25209 OH2 TIP3 7727 58.276 60.052 47.674 1.00 0.00 SOLV O ATOM 25210 H1 TIP3 7727 58.734 59.190 47.715 1.00 0.00 SOLV H ATOM 25211 H2 TIP3 7727 58.997 60.657 47.922 1.00 0.00 SOLV H ATOM 25212 OH2 TIP3 7728 56.460 62.880 48.504 1.00 0.00 SOLV O ATOM 25213 H1 TIP3 7728 57.205 62.961 47.876 1.00 0.00 SOLV H ATOM 25214 H2 TIP3 7728 56.695 63.525 49.182 1.00 0.00 SOLV H ATOM 25215 OH2 TIP3 7729 57.082 59.012 42.547 1.00 0.00 SOLV O ATOM 25216 H1 TIP3 7729 56.121 59.085 42.684 1.00 0.00 SOLV H ATOM 25217 H2 TIP3 7729 57.258 59.789 41.976 1.00 0.00 SOLV H ATOM 25218 OH2 TIP3 7730 57.052 57.832 50.974 1.00 0.00 SOLV O ATOM 25219 H1 TIP3 7730 56.349 57.774 51.642 1.00 0.00 SOLV H ATOM 25220 H2 TIP3 7730 56.662 58.487 50.359 1.00 0.00 SOLV H ATOM 25221 OH2 TIP3 7731 66.682 58.398 46.556 1.00 0.00 SOLV O ATOM 25222 H1 TIP3 7731 65.971 57.936 47.048 1.00 0.00 SOLV H ATOM 25223 H2 TIP3 7731 67.466 58.084 47.029 1.00 0.00 SOLV H ATOM 25224 OH2 TIP3 7732 59.433 57.407 44.741 1.00 0.00 SOLV O ATOM 25225 H1 TIP3 7732 58.489 57.248 44.512 1.00 0.00 SOLV H ATOM 25226 H2 TIP3 7732 59.789 56.502 44.617 1.00 0.00 SOLV H ATOM 25227 OH2 TIP3 7733 58.367 57.287 40.699 1.00 0.00 SOLV O ATOM 25228 H1 TIP3 7733 58.834 57.979 40.194 1.00 0.00 SOLV H ATOM 25229 H2 TIP3 7733 57.929 57.821 41.397 1.00 0.00 SOLV H ATOM 25230 OH2 TIP3 7734 64.031 57.050 44.824 1.00 0.00 SOLV O ATOM 25231 H1 TIP3 7734 64.706 57.694 44.593 1.00 0.00 SOLV H ATOM 25232 H2 TIP3 7734 64.001 57.134 45.788 1.00 0.00 SOLV H ATOM 25233 OH2 TIP3 7735 60.206 58.977 39.105 1.00 0.00 SOLV O ATOM 25234 H1 TIP3 7735 60.734 58.468 38.459 1.00 0.00 SOLV H ATOM 25235 H2 TIP3 7735 60.901 59.310 39.710 1.00 0.00 SOLV H ATOM 25236 OH2 TIP3 7736 64.887 59.460 41.615 1.00 0.00 SOLV O ATOM 25237 H1 TIP3 7736 65.292 58.756 42.143 1.00 0.00 SOLV H ATOM 25238 H2 TIP3 7736 65.118 60.251 42.149 1.00 0.00 SOLV H ATOM 25239 OH2 TIP3 7737 59.365 57.995 54.326 1.00 0.00 SOLV O ATOM 25240 H1 TIP3 7737 58.766 57.277 54.612 1.00 0.00 SOLV H ATOM 25241 H2 TIP3 7737 60.175 57.753 54.826 1.00 0.00 SOLV H ATOM 25242 OH2 TIP3 7738 61.430 57.269 56.042 1.00 0.00 SOLV O ATOM 25243 H1 TIP3 7738 62.312 56.907 55.856 1.00 0.00 SOLV H ATOM 25244 H2 TIP3 7738 61.002 56.507 56.487 1.00 0.00 SOLV H ATOM 25245 OH2 TIP3 7739 11.827 10.032 63.661 1.00 0.00 SOLV O ATOM 25246 H1 TIP3 7739 11.732 11.001 63.544 1.00 0.00 SOLV H ATOM 25247 H2 TIP3 7739 11.356 9.726 62.860 1.00 0.00 SOLV H ATOM 25248 OH2 TIP3 7740 10.828 9.466 67.247 1.00 0.00 SOLV O ATOM 25249 H1 TIP3 7740 10.873 8.697 67.835 1.00 0.00 SOLV H ATOM 25250 H2 TIP3 7740 10.700 9.056 66.380 1.00 0.00 SOLV H ATOM 25251 OH2 TIP3 7741 14.581 12.248 65.398 1.00 0.00 SOLV O ATOM 25252 H1 TIP3 7741 14.288 11.527 65.971 1.00 0.00 SOLV H ATOM 25253 H2 TIP3 7741 14.767 12.954 66.056 1.00 0.00 SOLV H ATOM 25254 OH2 TIP3 7742 4.127 13.497 66.942 1.00 0.00 SOLV O ATOM 25255 H1 TIP3 7742 4.028 12.540 66.729 1.00 0.00 SOLV H ATOM 25256 H2 TIP3 7742 5.099 13.521 67.018 1.00 0.00 SOLV H ATOM 25257 OH2 TIP3 7743 1.148 7.154 62.684 1.00 0.00 SOLV O ATOM 25258 H1 TIP3 7743 1.138 8.104 62.853 1.00 0.00 SOLV H ATOM 25259 H2 TIP3 7743 0.202 6.985 62.505 1.00 0.00 SOLV H ATOM 25260 OH2 TIP3 7744 1.870 9.240 65.335 1.00 0.00 SOLV O ATOM 25261 H1 TIP3 7744 2.220 8.323 65.301 1.00 0.00 SOLV H ATOM 25262 H2 TIP3 7744 2.394 9.694 64.669 1.00 0.00 SOLV H ATOM 25263 OH2 TIP3 7745 11.811 17.592 65.820 1.00 0.00 SOLV O ATOM 25264 H1 TIP3 7745 12.159 16.787 65.387 1.00 0.00 SOLV H ATOM 25265 H2 TIP3 7745 11.599 17.285 66.709 1.00 0.00 SOLV H ATOM 25266 OH2 TIP3 7746 8.937 11.892 67.628 1.00 0.00 SOLV O ATOM 25267 H1 TIP3 7746 9.323 11.107 67.202 1.00 0.00 SOLV H ATOM 25268 H2 TIP3 7746 9.726 12.172 68.140 1.00 0.00 SOLV H ATOM 25269 OH2 TIP3 7747 18.174 3.474 68.324 1.00 0.00 SOLV O ATOM 25270 H1 TIP3 7747 18.375 4.376 68.615 1.00 0.00 SOLV H ATOM 25271 H2 TIP3 7747 18.921 3.315 67.718 1.00 0.00 SOLV H ATOM 25272 OH2 TIP3 7748 11.837 6.202 67.797 1.00 0.00 SOLV O ATOM 25273 H1 TIP3 7748 12.244 5.331 67.963 1.00 0.00 SOLV H ATOM 25274 H2 TIP3 7748 12.094 6.341 66.867 1.00 0.00 SOLV H ATOM 25275 OH2 TIP3 7749 5.881 4.176 65.062 1.00 0.00 SOLV O ATOM 25276 H1 TIP3 7749 5.989 5.041 64.614 1.00 0.00 SOLV H ATOM 25277 H2 TIP3 7749 5.449 3.668 64.346 1.00 0.00 SOLV H ATOM 25278 OH2 TIP3 7750 13.615 4.513 63.425 1.00 0.00 SOLV O ATOM 25279 H1 TIP3 7750 14.125 4.100 64.153 1.00 0.00 SOLV H ATOM 25280 H2 TIP3 7750 14.328 4.899 62.877 1.00 0.00 SOLV H ATOM 25281 OH2 TIP3 7751 2.391 6.583 65.663 1.00 0.00 SOLV O ATOM 25282 H1 TIP3 7751 2.859 5.968 66.261 1.00 0.00 SOLV H ATOM 25283 H2 TIP3 7751 2.667 6.210 64.800 1.00 0.00 SOLV H ATOM 25284 OH2 TIP3 7752 7.281 8.074 65.295 1.00 0.00 SOLV O ATOM 25285 H1 TIP3 7752 8.111 7.617 65.559 1.00 0.00 SOLV H ATOM 25286 H2 TIP3 7752 6.895 7.417 64.671 1.00 0.00 SOLV H ATOM 25287 OH2 TIP3 7753 11.418 12.591 62.618 1.00 0.00 SOLV O ATOM 25288 H1 TIP3 7753 11.484 12.771 61.670 1.00 0.00 SOLV H ATOM 25289 H2 TIP3 7753 11.073 13.444 62.951 1.00 0.00 SOLV H ATOM 25290 OH2 TIP3 7754 14.841 3.637 65.785 1.00 0.00 SOLV O ATOM 25291 H1 TIP3 7754 14.156 3.760 66.485 1.00 0.00 SOLV H ATOM 25292 H2 TIP3 7754 15.518 4.284 66.062 1.00 0.00 SOLV H ATOM 25293 OH2 TIP3 7755 3.946 4.692 66.958 1.00 0.00 SOLV O ATOM 25294 H1 TIP3 7755 4.496 5.045 67.688 1.00 0.00 SOLV H ATOM 25295 H2 TIP3 7755 4.650 4.441 66.321 1.00 0.00 SOLV H ATOM 25296 OH2 TIP3 7756 1.533 12.514 60.758 1.00 0.00 SOLV O ATOM 25297 H1 TIP3 7756 0.915 13.009 60.204 1.00 0.00 SOLV H ATOM 25298 H2 TIP3 7756 1.700 13.141 61.484 1.00 0.00 SOLV H ATOM 25299 OH2 TIP3 7757 14.856 14.267 67.192 1.00 0.00 SOLV O ATOM 25300 H1 TIP3 7757 13.977 14.518 67.514 1.00 0.00 SOLV H ATOM 25301 H2 TIP3 7757 15.336 15.118 67.244 1.00 0.00 SOLV H ATOM 25302 OH2 TIP3 7758 8.065 0.916 66.232 1.00 0.00 SOLV O ATOM 25303 H1 TIP3 7758 8.484 0.147 66.675 1.00 0.00 SOLV H ATOM 25304 H2 TIP3 7758 7.235 0.997 66.756 1.00 0.00 SOLV H ATOM 25305 OH2 TIP3 7759 13.169 15.942 63.899 1.00 0.00 SOLV O ATOM 25306 H1 TIP3 7759 13.608 15.085 63.675 1.00 0.00 SOLV H ATOM 25307 H2 TIP3 7759 13.950 16.534 63.907 1.00 0.00 SOLV H ATOM 25308 OH2 TIP3 7760 14.493 13.720 63.087 1.00 0.00 SOLV O ATOM 25309 H1 TIP3 7760 14.501 13.040 62.401 1.00 0.00 SOLV H ATOM 25310 H2 TIP3 7760 14.563 13.161 63.896 1.00 0.00 SOLV H ATOM 25311 OH2 TIP3 7761 10.767 9.259 61.219 1.00 0.00 SOLV O ATOM 25312 H1 TIP3 7761 10.215 9.959 60.836 1.00 0.00 SOLV H ATOM 25313 H2 TIP3 7761 11.400 9.083 60.487 1.00 0.00 SOLV H ATOM 25314 OH2 TIP3 7762 14.178 9.879 62.135 1.00 0.00 SOLV O ATOM 25315 H1 TIP3 7762 13.446 9.911 62.785 1.00 0.00 SOLV H ATOM 25316 H2 TIP3 7762 14.733 9.174 62.549 1.00 0.00 SOLV H ATOM 25317 OH2 TIP3 7763 5.712 10.084 64.109 1.00 0.00 SOLV O ATOM 25318 H1 TIP3 7763 5.404 9.751 63.236 1.00 0.00 SOLV H ATOM 25319 H2 TIP3 7763 6.307 9.361 64.399 1.00 0.00 SOLV H ATOM 25320 OH2 TIP3 7764 6.864 13.552 66.447 1.00 0.00 SOLV O ATOM 25321 H1 TIP3 7764 6.924 13.672 65.475 1.00 0.00 SOLV H ATOM 25322 H2 TIP3 7764 7.596 12.934 66.639 1.00 0.00 SOLV H ATOM 25323 OH2 TIP3 7765 6.027 8.784 67.576 1.00 0.00 SOLV O ATOM 25324 H1 TIP3 7765 6.526 8.591 66.747 1.00 0.00 SOLV H ATOM 25325 H2 TIP3 7765 6.314 9.685 67.790 1.00 0.00 SOLV H ATOM 25326 OH2 TIP3 7766 12.325 14.777 68.598 1.00 0.00 SOLV O ATOM 25327 H1 TIP3 7766 13.056 14.929 69.242 1.00 0.00 SOLV H ATOM 25328 H2 TIP3 7766 12.057 13.864 68.804 1.00 0.00 SOLV H ATOM 25329 OH2 TIP3 7767 13.123 8.805 59.823 1.00 0.00 SOLV O ATOM 25330 H1 TIP3 7767 13.627 9.331 60.473 1.00 0.00 SOLV H ATOM 25331 H2 TIP3 7767 13.496 9.109 58.963 1.00 0.00 SOLV H ATOM 25332 OH2 TIP3 7768 10.673 15.213 63.208 1.00 0.00 SOLV O ATOM 25333 H1 TIP3 7768 11.576 15.460 63.505 1.00 0.00 SOLV H ATOM 25334 H2 TIP3 7768 10.352 16.048 62.850 1.00 0.00 SOLV H ATOM 25335 OH2 TIP3 7769 16.530 0.668 59.472 1.00 0.00 SOLV O ATOM 25336 H1 TIP3 7769 15.751 1.132 59.830 1.00 0.00 SOLV H ATOM 25337 H2 TIP3 7769 17.055 1.421 59.135 1.00 0.00 SOLV H ATOM 25338 OH2 TIP3 7770 4.743 9.251 61.635 1.00 0.00 SOLV O ATOM 25339 H1 TIP3 7770 4.319 9.899 61.032 1.00 0.00 SOLV H ATOM 25340 H2 TIP3 7770 4.387 8.415 61.314 1.00 0.00 SOLV H ATOM 25341 OH2 TIP3 7771 17.873 14.756 58.085 1.00 0.00 SOLV O ATOM 25342 H1 TIP3 7771 18.134 15.695 58.158 1.00 0.00 SOLV H ATOM 25343 H2 TIP3 7771 18.753 14.339 57.941 1.00 0.00 SOLV H ATOM 25344 OH2 TIP3 7772 1.445 14.489 66.699 1.00 0.00 SOLV O ATOM 25345 H1 TIP3 7772 2.265 13.911 66.571 1.00 0.00 SOLV H ATOM 25346 H2 TIP3 7772 1.610 14.840 67.545 1.00 0.00 SOLV H ATOM 25347 OH2 TIP3 7773 10.448 18.160 61.671 1.00 0.00 SOLV O ATOM 25348 H1 TIP3 7773 10.158 18.258 60.749 1.00 0.00 SOLV H ATOM 25349 H2 TIP3 7773 10.114 18.979 62.083 1.00 0.00 SOLV H ATOM 25350 OH2 TIP3 7774 3.860 17.082 63.632 1.00 0.00 SOLV O ATOM 25351 H1 TIP3 7774 4.026 16.760 64.546 1.00 0.00 SOLV H ATOM 25352 H2 TIP3 7774 3.242 16.403 63.307 1.00 0.00 SOLV H ATOM 25353 OH2 TIP3 7775 13.169 17.599 58.480 1.00 0.00 SOLV O ATOM 25354 H1 TIP3 7775 13.693 16.847 58.120 1.00 0.00 SOLV H ATOM 25355 H2 TIP3 7775 13.277 17.455 59.445 1.00 0.00 SOLV H ATOM 25356 OH2 TIP3 7776 13.036 17.451 61.260 1.00 0.00 SOLV O ATOM 25357 H1 TIP3 7776 12.093 17.618 61.478 1.00 0.00 SOLV H ATOM 25358 H2 TIP3 7776 13.282 16.845 61.981 1.00 0.00 SOLV H ATOM 25359 OH2 TIP3 7777 5.782 1.306 67.785 1.00 0.00 SOLV O ATOM 25360 H1 TIP3 7777 4.931 1.516 67.356 1.00 0.00 SOLV H ATOM 25361 H2 TIP3 7777 6.001 2.171 68.209 1.00 0.00 SOLV H ATOM 25362 OH2 TIP3 7778 14.345 9.649 57.540 1.00 0.00 SOLV O ATOM 25363 H1 TIP3 7778 14.241 9.434 56.600 1.00 0.00 SOLV H ATOM 25364 H2 TIP3 7778 15.309 9.837 57.566 1.00 0.00 SOLV H ATOM 25365 OH2 TIP3 7779 9.832 3.303 58.079 1.00 0.00 SOLV O ATOM 25366 H1 TIP3 7779 9.380 3.244 58.942 1.00 0.00 SOLV H ATOM 25367 H2 TIP3 7779 9.410 2.559 57.615 1.00 0.00 SOLV H ATOM 25368 OH2 TIP3 7780 5.381 6.341 68.714 1.00 0.00 SOLV O ATOM 25369 H1 TIP3 7780 4.522 6.714 68.982 1.00 0.00 SOLV H ATOM 25370 H2 TIP3 7780 5.789 7.127 68.293 1.00 0.00 SOLV H ATOM 25371 OH2 TIP3 7781 5.936 6.461 63.587 1.00 0.00 SOLV O ATOM 25372 H1 TIP3 7781 4.967 6.319 63.501 1.00 0.00 SOLV H ATOM 25373 H2 TIP3 7781 6.210 6.242 62.668 1.00 0.00 SOLV H ATOM 25374 OH2 TIP3 7782 11.237 6.802 62.393 1.00 0.00 SOLV O ATOM 25375 H1 TIP3 7782 11.041 7.676 61.989 1.00 0.00 SOLV H ATOM 25376 H2 TIP3 7782 11.943 6.489 61.783 1.00 0.00 SOLV H ATOM 25377 OH2 TIP3 7783 12.167 6.394 64.964 1.00 0.00 SOLV O ATOM 25378 H1 TIP3 7783 11.836 6.873 64.172 1.00 0.00 SOLV H ATOM 25379 H2 TIP3 7783 12.551 5.626 64.488 1.00 0.00 SOLV H ATOM 25380 OH2 TIP3 7784 6.537 3.788 56.926 1.00 0.00 SOLV O ATOM 25381 H1 TIP3 7784 6.316 3.766 57.878 1.00 0.00 SOLV H ATOM 25382 H2 TIP3 7784 6.123 4.634 56.663 1.00 0.00 SOLV H ATOM 25383 OH2 TIP3 7785 0.585 3.917 64.006 1.00 0.00 SOLV O ATOM 25384 H1 TIP3 7785 0.940 3.802 64.916 1.00 0.00 SOLV H ATOM 25385 H2 TIP3 7785 0.914 3.120 63.575 1.00 0.00 SOLV H ATOM 25386 OH2 TIP3 7786 1.583 4.386 60.127 1.00 0.00 SOLV O ATOM 25387 H1 TIP3 7786 2.023 3.966 59.370 1.00 0.00 SOLV H ATOM 25388 H2 TIP3 7786 1.595 5.310 59.808 1.00 0.00 SOLV H ATOM 25389 OH2 TIP3 7787 8.717 4.151 64.588 1.00 0.00 SOLV O ATOM 25390 H1 TIP3 7787 7.794 4.063 64.896 1.00 0.00 SOLV H ATOM 25391 H2 TIP3 7787 9.217 3.762 65.330 1.00 0.00 SOLV H ATOM 25392 OH2 TIP3 7788 3.393 5.587 63.311 1.00 0.00 SOLV O ATOM 25393 H1 TIP3 7788 2.583 5.870 62.835 1.00 0.00 SOLV H ATOM 25394 H2 TIP3 7788 3.573 4.696 62.947 1.00 0.00 SOLV H ATOM 25395 OH2 TIP3 7789 6.461 5.661 61.050 1.00 0.00 SOLV O ATOM 25396 H1 TIP3 7789 7.439 5.632 61.119 1.00 0.00 SOLV H ATOM 25397 H2 TIP3 7789 6.310 6.094 60.178 1.00 0.00 SOLV H ATOM 25398 OH2 TIP3 7790 12.695 3.525 67.650 1.00 0.00 SOLV O ATOM 25399 H1 TIP3 7790 12.627 3.290 68.593 1.00 0.00 SOLV H ATOM 25400 H2 TIP3 7790 11.885 3.128 67.265 1.00 0.00 SOLV H ATOM 25401 OH2 TIP3 7791 5.725 6.660 58.635 1.00 0.00 SOLV O ATOM 25402 H1 TIP3 7791 5.260 6.432 57.807 1.00 0.00 SOLV H ATOM 25403 H2 TIP3 7791 6.459 7.194 58.257 1.00 0.00 SOLV H ATOM 25404 OH2 TIP3 7792 9.545 6.814 66.277 1.00 0.00 SOLV O ATOM 25405 H1 TIP3 7792 10.227 6.609 65.616 1.00 0.00 SOLV H ATOM 25406 H2 TIP3 7792 9.934 6.386 67.058 1.00 0.00 SOLV H ATOM 25407 OH2 TIP3 7793 4.531 3.005 62.919 1.00 0.00 SOLV O ATOM 25408 H1 TIP3 7793 4.080 2.195 63.225 1.00 0.00 SOLV H ATOM 25409 H2 TIP3 7793 5.328 2.641 62.501 1.00 0.00 SOLV H ATOM 25410 OH2 TIP3 7794 8.754 11.426 60.478 1.00 0.00 SOLV O ATOM 25411 H1 TIP3 7794 8.035 10.919 60.050 1.00 0.00 SOLV H ATOM 25412 H2 TIP3 7794 8.389 11.543 61.388 1.00 0.00 SOLV H ATOM 25413 OH2 TIP3 7795 12.434 4.199 58.825 1.00 0.00 SOLV O ATOM 25414 H1 TIP3 7795 11.544 4.370 58.455 1.00 0.00 SOLV H ATOM 25415 H2 TIP3 7795 12.657 5.077 59.195 1.00 0.00 SOLV H ATOM 25416 OH2 TIP3 7796 13.223 6.211 60.610 1.00 0.00 SOLV O ATOM 25417 H1 TIP3 7796 14.157 6.235 60.871 1.00 0.00 SOLV H ATOM 25418 H2 TIP3 7796 13.119 7.091 60.173 1.00 0.00 SOLV H ATOM 25419 OH2 TIP3 7797 4.315 10.871 66.322 1.00 0.00 SOLV O ATOM 25420 H1 TIP3 7797 4.773 10.756 65.463 1.00 0.00 SOLV H ATOM 25421 H2 TIP3 7797 4.581 10.060 66.777 1.00 0.00 SOLV H ATOM 25422 OH2 TIP3 7798 10.896 12.833 59.570 1.00 0.00 SOLV O ATOM 25423 H1 TIP3 7798 10.513 13.731 59.695 1.00 0.00 SOLV H ATOM 25424 H2 TIP3 7798 10.154 12.272 59.890 1.00 0.00 SOLV H ATOM 25425 OH2 TIP3 7799 17.934 6.444 60.331 1.00 0.00 SOLV O ATOM 25426 H1 TIP3 7799 17.618 6.386 59.396 1.00 0.00 SOLV H ATOM 25427 H2 TIP3 7799 18.111 7.413 60.389 1.00 0.00 SOLV H ATOM 25428 OH2 TIP3 7800 16.573 15.126 60.585 1.00 0.00 SOLV O ATOM 25429 H1 TIP3 7800 16.077 14.356 60.899 1.00 0.00 SOLV H ATOM 25430 H2 TIP3 7800 16.933 14.810 59.736 1.00 0.00 SOLV H ATOM 25431 OH2 TIP3 7801 13.639 9.976 67.402 1.00 0.00 SOLV O ATOM 25432 H1 TIP3 7801 12.692 9.942 67.177 1.00 0.00 SOLV H ATOM 25433 H2 TIP3 7801 13.993 9.211 66.902 1.00 0.00 SOLV H ATOM 25434 OH2 TIP3 7802 6.470 14.304 63.789 1.00 0.00 SOLV O ATOM 25435 H1 TIP3 7802 6.718 15.166 63.404 1.00 0.00 SOLV H ATOM 25436 H2 TIP3 7802 5.539 14.247 63.544 1.00 0.00 SOLV H ATOM 25437 OH2 TIP3 7803 2.185 9.053 58.259 1.00 0.00 SOLV O ATOM 25438 H1 TIP3 7803 2.879 9.547 58.752 1.00 0.00 SOLV H ATOM 25439 H2 TIP3 7803 1.416 9.586 58.499 1.00 0.00 SOLV H ATOM 25440 OH2 TIP3 7804 7.449 11.862 62.809 1.00 0.00 SOLV O ATOM 25441 H1 TIP3 7804 7.263 12.742 63.182 1.00 0.00 SOLV H ATOM 25442 H2 TIP3 7804 6.890 11.285 63.359 1.00 0.00 SOLV H ATOM 25443 OH2 TIP3 7805 6.424 17.080 62.659 1.00 0.00 SOLV O ATOM 25444 H1 TIP3 7805 5.491 17.187 62.938 1.00 0.00 SOLV H ATOM 25445 H2 TIP3 7805 6.814 17.913 63.007 1.00 0.00 SOLV H ATOM 25446 OH2 TIP3 7806 14.287 13.209 58.537 1.00 0.00 SOLV O ATOM 25447 H1 TIP3 7806 14.640 12.720 59.316 1.00 0.00 SOLV H ATOM 25448 H2 TIP3 7806 13.386 12.854 58.501 1.00 0.00 SOLV H ATOM 25449 OH2 TIP3 7807 18.571 17.448 58.558 1.00 0.00 SOLV O ATOM 25450 H1 TIP3 7807 19.179 18.209 58.591 1.00 0.00 SOLV H ATOM 25451 H2 TIP3 7807 17.732 17.900 58.776 1.00 0.00 SOLV H ATOM 25452 OH2 TIP3 7808 15.318 11.835 60.676 1.00 0.00 SOLV O ATOM 25453 H1 TIP3 7808 14.818 11.192 61.232 1.00 0.00 SOLV H ATOM 25454 H2 TIP3 7808 16.123 11.316 60.527 1.00 0.00 SOLV H ATOM 25455 OH2 TIP3 7809 8.024 14.207 56.856 1.00 0.00 SOLV O ATOM 25456 H1 TIP3 7809 8.127 13.321 56.458 1.00 0.00 SOLV H ATOM 25457 H2 TIP3 7809 7.594 13.981 57.705 1.00 0.00 SOLV H ATOM 25458 OH2 TIP3 7810 6.864 13.811 59.331 1.00 0.00 SOLV O ATOM 25459 H1 TIP3 7810 7.492 13.285 59.853 1.00 0.00 SOLV H ATOM 25460 H2 TIP3 7810 7.002 14.716 59.689 1.00 0.00 SOLV H ATOM 25461 OH2 TIP3 7811 3.464 10.891 59.816 1.00 0.00 SOLV O ATOM 25462 H1 TIP3 7811 2.747 11.415 60.248 1.00 0.00 SOLV H ATOM 25463 H2 TIP3 7811 3.909 11.626 59.346 1.00 0.00 SOLV H ATOM 25464 OH2 TIP3 7812 12.099 3.033 61.415 1.00 0.00 SOLV O ATOM 25465 H1 TIP3 7812 12.153 3.423 60.516 1.00 0.00 SOLV H ATOM 25466 H2 TIP3 7812 12.505 3.742 61.953 1.00 0.00 SOLV H ATOM 25467 OH2 TIP3 7813 9.783 15.281 59.878 1.00 0.00 SOLV O ATOM 25468 H1 TIP3 7813 8.884 15.593 60.093 1.00 0.00 SOLV H ATOM 25469 H2 TIP3 7813 10.204 16.120 59.638 1.00 0.00 SOLV H ATOM 25470 OH2 TIP3 7814 9.021 5.200 62.042 1.00 0.00 SOLV O ATOM 25471 H1 TIP3 7814 9.801 5.795 62.100 1.00 0.00 SOLV H ATOM 25472 H2 TIP3 7814 8.914 4.951 62.984 1.00 0.00 SOLV H ATOM 25473 OH2 TIP3 7815 9.824 2.239 62.740 1.00 0.00 SOLV O ATOM 25474 H1 TIP3 7815 9.873 2.969 63.380 1.00 0.00 SOLV H ATOM 25475 H2 TIP3 7815 10.666 2.363 62.250 1.00 0.00 SOLV H ATOM 25476 OH2 TIP3 7816 7.309 16.389 60.179 1.00 0.00 SOLV O ATOM 25477 H1 TIP3 7816 7.279 17.252 59.714 1.00 0.00 SOLV H ATOM 25478 H2 TIP3 7816 6.974 16.642 61.069 1.00 0.00 SOLV H ATOM 25479 OH2 TIP3 7817 5.842 3.389 59.592 1.00 0.00 SOLV O ATOM 25480 H1 TIP3 7817 5.807 4.186 60.160 1.00 0.00 SOLV H ATOM 25481 H2 TIP3 7817 6.741 3.072 59.835 1.00 0.00 SOLV H ATOM 25482 OH2 TIP3 7818 14.527 7.628 66.104 1.00 0.00 SOLV O ATOM 25483 H1 TIP3 7818 13.783 7.170 65.673 1.00 0.00 SOLV H ATOM 25484 H2 TIP3 7818 15.052 6.900 66.495 1.00 0.00 SOLV H ATOM 25485 OH2 TIP3 7819 4.281 13.195 58.526 1.00 0.00 SOLV O ATOM 25486 H1 TIP3 7819 5.087 13.573 58.938 1.00 0.00 SOLV H ATOM 25487 H2 TIP3 7819 4.712 12.663 57.822 1.00 0.00 SOLV H ATOM 25488 OH2 TIP3 7820 1.743 6.297 57.998 1.00 0.00 SOLV O ATOM 25489 H1 TIP3 7820 2.063 7.217 58.064 1.00 0.00 SOLV H ATOM 25490 H2 TIP3 7820 1.585 6.202 57.037 1.00 0.00 SOLV H ATOM 25491 OH2 TIP3 7821 15.905 16.784 67.585 1.00 0.00 SOLV O ATOM 25492 H1 TIP3 7821 15.661 17.583 67.075 1.00 0.00 SOLV H ATOM 25493 H2 TIP3 7821 16.863 16.952 67.718 1.00 0.00 SOLV H ATOM 25494 OH2 TIP3 7822 3.190 1.032 66.456 1.00 0.00 SOLV O ATOM 25495 H1 TIP3 7822 3.141 1.074 65.482 1.00 0.00 SOLV H ATOM 25496 H2 TIP3 7822 3.463 0.099 66.578 1.00 0.00 SOLV H ATOM 25497 OH2 TIP3 7823 2.028 15.009 62.385 1.00 0.00 SOLV O ATOM 25498 H1 TIP3 7823 1.330 15.262 63.004 1.00 0.00 SOLV H ATOM 25499 H2 TIP3 7823 1.930 15.678 61.670 1.00 0.00 SOLV H ATOM 25500 OH2 TIP3 7824 10.154 15.955 56.802 1.00 0.00 SOLV O ATOM 25501 H1 TIP3 7824 9.429 15.295 56.901 1.00 0.00 SOLV H ATOM 25502 H2 TIP3 7824 10.906 15.369 56.593 1.00 0.00 SOLV H ATOM 25503 OH2 TIP3 7825 14.548 15.564 57.213 1.00 0.00 SOLV O ATOM 25504 H1 TIP3 7825 14.545 14.747 57.764 1.00 0.00 SOLV H ATOM 25505 H2 TIP3 7825 15.367 15.448 56.700 1.00 0.00 SOLV H ATOM 25506 OH2 TIP3 7826 5.619 11.387 57.073 1.00 0.00 SOLV O ATOM 25507 H1 TIP3 7826 5.963 10.918 57.867 1.00 0.00 SOLV H ATOM 25508 H2 TIP3 7826 6.454 11.470 56.559 1.00 0.00 SOLV H ATOM 25509 OH2 TIP3 7827 11.273 12.783 56.848 1.00 0.00 SOLV O ATOM 25510 H1 TIP3 7827 11.081 12.736 57.808 1.00 0.00 SOLV H ATOM 25511 H2 TIP3 7827 11.204 11.827 56.619 1.00 0.00 SOLV H ATOM 25512 OH2 TIP3 7828 6.699 10.010 59.242 1.00 0.00 SOLV O ATOM 25513 H1 TIP3 7828 6.291 9.473 59.936 1.00 0.00 SOLV H ATOM 25514 H2 TIP3 7828 7.130 9.324 58.680 1.00 0.00 SOLV H ATOM 25515 OH2 TIP3 7829 7.699 8.130 57.550 1.00 0.00 SOLV O ATOM 25516 H1 TIP3 7829 7.842 8.459 56.640 1.00 0.00 SOLV H ATOM 25517 H2 TIP3 7829 8.606 7.770 57.721 1.00 0.00 SOLV H ATOM 25518 OH2 TIP3 7830 16.882 10.266 56.989 1.00 0.00 SOLV O ATOM 25519 H1 TIP3 7830 16.942 10.051 56.042 1.00 0.00 SOLV H ATOM 25520 H2 TIP3 7830 16.814 11.241 56.953 1.00 0.00 SOLV H ATOM 25521 OH2 TIP3 7831 7.872 18.829 58.856 1.00 0.00 SOLV O ATOM 25522 H1 TIP3 7831 8.780 18.472 58.821 1.00 0.00 SOLV H ATOM 25523 H2 TIP3 7831 7.933 19.512 58.165 1.00 0.00 SOLV H ATOM 25524 OH2 TIP3 7832 1.696 13.687 57.676 1.00 0.00 SOLV O ATOM 25525 H1 TIP3 7832 2.561 13.541 58.114 1.00 0.00 SOLV H ATOM 25526 H2 TIP3 7832 1.518 12.816 57.279 1.00 0.00 SOLV H ATOM 25527 OH2 TIP3 7833 1.164 16.623 64.990 1.00 0.00 SOLV O ATOM 25528 H1 TIP3 7833 1.115 15.741 65.410 1.00 0.00 SOLV H ATOM 25529 H2 TIP3 7833 1.662 17.108 65.673 1.00 0.00 SOLV H ATOM 25530 OH2 TIP3 7834 18.553 17.312 68.139 1.00 0.00 SOLV O ATOM 25531 H1 TIP3 7834 18.600 17.562 69.084 1.00 0.00 SOLV H ATOM 25532 H2 TIP3 7834 19.444 17.551 67.826 1.00 0.00 SOLV H ATOM 25533 OH2 TIP3 7835 18.525 12.246 68.246 1.00 0.00 SOLV O ATOM 25534 H1 TIP3 7835 18.809 11.454 67.751 1.00 0.00 SOLV H ATOM 25535 H2 TIP3 7835 18.278 12.855 67.531 1.00 0.00 SOLV H ATOM 25536 OH2 TIP3 7836 17.121 6.217 57.726 1.00 0.00 SOLV O ATOM 25537 H1 TIP3 7836 16.722 6.932 57.216 1.00 0.00 SOLV H ATOM 25538 H2 TIP3 7836 16.801 5.435 57.235 1.00 0.00 SOLV H ATOM 25539 OH2 TIP3 7837 15.388 7.834 63.406 1.00 0.00 SOLV O ATOM 25540 H1 TIP3 7837 15.771 6.988 63.121 1.00 0.00 SOLV H ATOM 25541 H2 TIP3 7837 15.368 7.779 64.375 1.00 0.00 SOLV H ATOM 25542 OH2 TIP3 7838 1.178 10.598 67.847 1.00 0.00 SOLV O ATOM 25543 H1 TIP3 7838 0.938 10.485 66.913 1.00 0.00 SOLV H ATOM 25544 H2 TIP3 7838 2.121 10.418 67.800 1.00 0.00 SOLV H ATOM 25545 OH2 TIP3 7839 16.145 3.805 56.599 1.00 0.00 SOLV O ATOM 25546 H1 TIP3 7839 16.514 3.401 57.408 1.00 0.00 SOLV H ATOM 25547 H2 TIP3 7839 15.228 3.474 56.576 1.00 0.00 SOLV H ATOM 25548 OH2 TIP3 7840 15.879 5.420 61.918 1.00 0.00 SOLV O ATOM 25549 H1 TIP3 7840 16.162 4.480 61.900 1.00 0.00 SOLV H ATOM 25550 H2 TIP3 7840 16.573 5.812 61.344 1.00 0.00 SOLV H ATOM 25551 OH2 TIP3 7841 16.219 5.629 67.118 1.00 0.00 SOLV O ATOM 25552 H1 TIP3 7841 17.161 5.906 67.074 1.00 0.00 SOLV H ATOM 25553 H2 TIP3 7841 16.187 5.272 68.024 1.00 0.00 SOLV H ATOM 25554 OH2 TIP3 7842 16.507 2.751 61.975 1.00 0.00 SOLV O ATOM 25555 H1 TIP3 7842 16.571 2.268 62.819 1.00 0.00 SOLV H ATOM 25556 H2 TIP3 7842 15.730 2.308 61.564 1.00 0.00 SOLV H ATOM 25557 OH2 TIP3 7843 1.570 3.370 66.499 1.00 0.00 SOLV O ATOM 25558 H1 TIP3 7843 1.968 2.498 66.679 1.00 0.00 SOLV H ATOM 25559 H2 TIP3 7843 2.326 3.944 66.740 1.00 0.00 SOLV H ATOM 25560 OH2 TIP3 7844 0.267 7.616 67.392 1.00 0.00 SOLV O ATOM 25561 H1 TIP3 7844 0.753 7.575 66.550 1.00 0.00 SOLV H ATOM 25562 H2 TIP3 7844 0.905 8.081 67.945 1.00 0.00 SOLV H ATOM 25563 OH2 TIP3 7845 17.924 2.829 58.576 1.00 0.00 SOLV O ATOM 25564 H1 TIP3 7845 18.358 2.190 57.967 1.00 0.00 SOLV H ATOM 25565 H2 TIP3 7845 18.677 3.372 58.882 1.00 0.00 SOLV H ATOM 25566 OH2 TIP3 7846 1.230 1.975 61.734 1.00 0.00 SOLV O ATOM 25567 H1 TIP3 7846 0.270 2.130 61.692 1.00 0.00 SOLV H ATOM 25568 H2 TIP3 7846 1.537 2.814 61.331 1.00 0.00 SOLV H ATOM 25569 OH2 TIP3 7847 15.154 17.758 63.579 1.00 0.00 SOLV O ATOM 25570 H1 TIP3 7847 15.914 17.704 62.962 1.00 0.00 SOLV H ATOM 25571 H2 TIP3 7847 15.588 17.987 64.419 1.00 0.00 SOLV H ATOM 25572 OH2 TIP3 7848 10.481 19.243 68.157 1.00 0.00 SOLV O ATOM 25573 H1 TIP3 7848 9.670 18.911 67.747 1.00 0.00 SOLV H ATOM 25574 H2 TIP3 7848 10.498 18.775 69.012 1.00 0.00 SOLV H ATOM 25575 OH2 TIP3 7849 2.527 17.572 67.219 1.00 0.00 SOLV O ATOM 25576 H1 TIP3 7849 2.701 17.593 68.189 1.00 0.00 SOLV H ATOM 25577 H2 TIP3 7849 3.266 16.991 66.922 1.00 0.00 SOLV H ATOM 25578 OH2 TIP3 7850 4.483 16.069 66.102 1.00 0.00 SOLV O ATOM 25579 H1 TIP3 7850 4.323 15.139 66.382 1.00 0.00 SOLV H ATOM 25580 H2 TIP3 7850 5.416 16.196 66.377 1.00 0.00 SOLV H ATOM 25581 OH2 TIP3 7851 7.140 16.295 67.011 1.00 0.00 SOLV O ATOM 25582 H1 TIP3 7851 7.288 15.391 66.672 1.00 0.00 SOLV H ATOM 25583 H2 TIP3 7851 7.343 16.149 67.946 1.00 0.00 SOLV H ATOM 25584 OH2 TIP3 7852 10.373 2.462 66.174 1.00 0.00 SOLV O ATOM 25585 H1 TIP3 7852 9.579 1.887 66.209 1.00 0.00 SOLV H ATOM 25586 H2 TIP3 7852 10.992 1.889 65.665 1.00 0.00 SOLV H ATOM 25587 OH2 TIP3 7853 15.915 1.071 66.268 1.00 0.00 SOLV O ATOM 25588 H1 TIP3 7853 16.484 1.031 65.474 1.00 0.00 SOLV H ATOM 25589 H2 TIP3 7853 15.510 1.951 66.158 1.00 0.00 SOLV H ATOM 25590 OH2 TIP3 7854 17.568 1.341 64.142 1.00 0.00 SOLV O ATOM 25591 H1 TIP3 7854 18.203 1.044 63.469 1.00 0.00 SOLV H ATOM 25592 H2 TIP3 7854 17.988 2.211 64.375 1.00 0.00 SOLV H ATOM 25593 OH2 TIP3 7855 2.972 0.815 63.636 1.00 0.00 SOLV O ATOM 25594 H1 TIP3 7855 2.344 1.099 62.937 1.00 0.00 SOLV H ATOM 25595 H2 TIP3 7855 3.200 -0.081 63.358 1.00 0.00 SOLV H ATOM 25596 OH2 TIP3 7856 2.007 0.588 59.396 1.00 0.00 SOLV O ATOM 25597 H1 TIP3 7856 2.348 1.343 58.877 1.00 0.00 SOLV H ATOM 25598 H2 TIP3 7856 1.651 1.035 60.186 1.00 0.00 SOLV H ATOM 25599 OH2 TIP3 7857 7.302 1.548 63.605 1.00 0.00 SOLV O ATOM 25600 H1 TIP3 7857 8.139 1.891 63.226 1.00 0.00 SOLV H ATOM 25601 H2 TIP3 7857 7.565 1.436 64.543 1.00 0.00 SOLV H ATOM 25602 OH2 TIP3 7858 12.266 0.978 64.783 1.00 0.00 SOLV O ATOM 25603 H1 TIP3 7858 12.695 1.495 64.091 1.00 0.00 SOLV H ATOM 25604 H2 TIP3 7858 12.967 0.315 64.998 1.00 0.00 SOLV H ATOM 25605 OH2 TIP3 7859 14.344 1.423 60.950 1.00 0.00 SOLV O ATOM 25606 H1 TIP3 7859 13.449 1.810 61.060 1.00 0.00 SOLV H ATOM 25607 H2 TIP3 7859 14.152 0.483 60.763 1.00 0.00 SOLV H ATOM 25608 OH2 TIP3 7860 1.733 16.809 60.346 1.00 0.00 SOLV O ATOM 25609 H1 TIP3 7860 1.055 16.387 59.809 1.00 0.00 SOLV H ATOM 25610 H2 TIP3 7860 1.751 17.719 59.972 1.00 0.00 SOLV H ATOM 25611 OH2 TIP3 7861 3.559 2.617 58.168 1.00 0.00 SOLV O ATOM 25612 H1 TIP3 7861 4.005 2.077 57.479 1.00 0.00 SOLV H ATOM 25613 H2 TIP3 7861 4.339 2.885 58.708 1.00 0.00 SOLV H ATOM 25614 OH2 TIP3 7862 8.435 3.008 60.459 1.00 0.00 SOLV O ATOM 25615 H1 TIP3 7862 8.841 2.319 61.015 1.00 0.00 SOLV H ATOM 25616 H2 TIP3 7862 8.690 3.800 60.982 1.00 0.00 SOLV H ATOM 25617 OH2 TIP3 7863 10.424 17.827 58.766 1.00 0.00 SOLV O ATOM 25618 H1 TIP3 7863 11.395 17.935 58.683 1.00 0.00 SOLV H ATOM 25619 H2 TIP3 7863 10.269 17.243 57.986 1.00 0.00 SOLV H ATOM 25620 OH2 TIP3 7864 17.205 17.534 61.708 1.00 0.00 SOLV O ATOM 25621 H1 TIP3 7864 17.026 16.612 61.402 1.00 0.00 SOLV H ATOM 25622 H2 TIP3 7864 17.026 18.026 60.884 1.00 0.00 SOLV H ATOM 25623 OH2 TIP3 7865 3.487 17.632 57.323 1.00 0.00 SOLV O ATOM 25624 H1 TIP3 7865 3.257 17.408 58.234 1.00 0.00 SOLV H ATOM 25625 H2 TIP3 7865 4.255 17.031 57.162 1.00 0.00 SOLV H ATOM 25626 OH2 TIP3 7866 29.773 9.403 67.293 1.00 0.00 SOLV O ATOM 25627 H1 TIP3 7866 29.635 8.493 67.588 1.00 0.00 SOLV H ATOM 25628 H2 TIP3 7866 29.680 9.338 66.328 1.00 0.00 SOLV H ATOM 25629 OH2 TIP3 7867 33.812 12.256 65.340 1.00 0.00 SOLV O ATOM 25630 H1 TIP3 7867 32.917 11.869 65.361 1.00 0.00 SOLV H ATOM 25631 H2 TIP3 7867 33.813 12.847 66.120 1.00 0.00 SOLV H ATOM 25632 OH2 TIP3 7868 23.048 13.568 67.034 1.00 0.00 SOLV O ATOM 25633 H1 TIP3 7868 22.893 12.619 66.844 1.00 0.00 SOLV H ATOM 25634 H2 TIP3 7868 24.029 13.558 67.003 1.00 0.00 SOLV H ATOM 25635 OH2 TIP3 7869 19.723 6.920 62.420 1.00 0.00 SOLV O ATOM 25636 H1 TIP3 7869 19.580 7.860 62.152 1.00 0.00 SOLV H ATOM 25637 H2 TIP3 7869 19.120 6.520 61.772 1.00 0.00 SOLV H ATOM 25638 OH2 TIP3 7870 20.716 9.203 65.056 1.00 0.00 SOLV O ATOM 25639 H1 TIP3 7870 20.755 8.229 65.097 1.00 0.00 SOLV H ATOM 25640 H2 TIP3 7870 20.520 9.360 64.119 1.00 0.00 SOLV H ATOM 25641 OH2 TIP3 7871 30.581 17.539 65.749 1.00 0.00 SOLV O ATOM 25642 H1 TIP3 7871 31.133 16.817 65.365 1.00 0.00 SOLV H ATOM 25643 H2 TIP3 7871 30.491 17.258 66.667 1.00 0.00 SOLV H ATOM 25644 OH2 TIP3 7872 27.812 12.045 67.518 1.00 0.00 SOLV O ATOM 25645 H1 TIP3 7872 28.221 11.408 66.910 1.00 0.00 SOLV H ATOM 25646 H2 TIP3 7872 28.573 12.188 68.122 1.00 0.00 SOLV H ATOM 25647 OH2 TIP3 7873 37.355 3.170 68.301 1.00 0.00 SOLV O ATOM 25648 H1 TIP3 7873 36.563 3.710 68.184 1.00 0.00 SOLV H ATOM 25649 H2 TIP3 7873 37.946 3.470 67.589 1.00 0.00 SOLV H ATOM 25650 OH2 TIP3 7874 30.813 6.224 67.888 1.00 0.00 SOLV O ATOM 25651 H1 TIP3 7874 31.112 5.292 67.963 1.00 0.00 SOLV H ATOM 25652 H2 TIP3 7874 30.944 6.366 66.934 1.00 0.00 SOLV H ATOM 25653 OH2 TIP3 7875 24.768 4.175 65.043 1.00 0.00 SOLV O ATOM 25654 H1 TIP3 7875 24.805 5.048 64.594 1.00 0.00 SOLV H ATOM 25655 H2 TIP3 7875 24.306 3.660 64.350 1.00 0.00 SOLV H ATOM 25656 OH2 TIP3 7876 32.405 4.505 63.382 1.00 0.00 SOLV O ATOM 25657 H1 TIP3 7876 32.904 4.185 64.171 1.00 0.00 SOLV H ATOM 25658 H2 TIP3 7876 33.131 4.904 62.868 1.00 0.00 SOLV H ATOM 25659 OH2 TIP3 7877 21.002 6.504 65.716 1.00 0.00 SOLV O ATOM 25660 H1 TIP3 7877 21.672 5.998 66.219 1.00 0.00 SOLV H ATOM 25661 H2 TIP3 7877 21.255 6.234 64.806 1.00 0.00 SOLV H ATOM 25662 OH2 TIP3 7878 26.047 8.055 65.249 1.00 0.00 SOLV O ATOM 25663 H1 TIP3 7878 26.897 7.633 65.505 1.00 0.00 SOLV H ATOM 25664 H2 TIP3 7878 25.670 7.390 64.631 1.00 0.00 SOLV H ATOM 25665 OH2 TIP3 7879 33.842 3.871 65.547 1.00 0.00 SOLV O ATOM 25666 H1 TIP3 7879 33.689 3.317 66.325 1.00 0.00 SOLV H ATOM 25667 H2 TIP3 7879 34.340 4.609 65.958 1.00 0.00 SOLV H ATOM 25668 OH2 TIP3 7880 22.814 4.781 66.873 1.00 0.00 SOLV O ATOM 25669 H1 TIP3 7880 23.370 5.146 67.593 1.00 0.00 SOLV H ATOM 25670 H2 TIP3 7880 23.516 4.512 66.240 1.00 0.00 SOLV H ATOM 25671 OH2 TIP3 7881 20.426 12.628 60.754 1.00 0.00 SOLV O ATOM 25672 H1 TIP3 7881 19.632 12.070 60.832 1.00 0.00 SOLV H ATOM 25673 H2 TIP3 7881 20.504 13.048 61.620 1.00 0.00 SOLV H ATOM 25674 OH2 TIP3 7882 33.713 14.225 67.264 1.00 0.00 SOLV O ATOM 25675 H1 TIP3 7882 32.794 14.475 67.458 1.00 0.00 SOLV H ATOM 25676 H2 TIP3 7882 34.147 15.101 67.240 1.00 0.00 SOLV H ATOM 25677 OH2 TIP3 7883 26.946 0.921 66.254 1.00 0.00 SOLV O ATOM 25678 H1 TIP3 7883 27.350 0.144 66.696 1.00 0.00 SOLV H ATOM 25679 H2 TIP3 7883 26.109 1.008 66.764 1.00 0.00 SOLV H ATOM 25680 OH2 TIP3 7884 32.261 15.856 64.433 1.00 0.00 SOLV O ATOM 25681 H1 TIP3 7884 32.589 15.028 64.018 1.00 0.00 SOLV H ATOM 25682 H2 TIP3 7884 32.942 16.486 64.119 1.00 0.00 SOLV H ATOM 25683 OH2 TIP3 7885 33.150 13.653 63.093 1.00 0.00 SOLV O ATOM 25684 H1 TIP3 7885 32.454 13.048 62.799 1.00 0.00 SOLV H ATOM 25685 H2 TIP3 7885 33.562 13.119 63.809 1.00 0.00 SOLV H ATOM 25686 OH2 TIP3 7886 29.360 9.000 60.893 1.00 0.00 SOLV O ATOM 25687 H1 TIP3 7886 28.829 9.772 61.152 1.00 0.00 SOLV H ATOM 25688 H2 TIP3 7886 30.228 9.404 60.761 1.00 0.00 SOLV H ATOM 25689 OH2 TIP3 7887 29.502 8.047 57.873 1.00 0.00 SOLV O ATOM 25690 H1 TIP3 7887 29.752 8.242 58.794 1.00 0.00 SOLV H ATOM 25691 H2 TIP3 7887 30.255 7.502 57.565 1.00 0.00 SOLV H ATOM 25692 OH2 TIP3 7888 32.982 9.730 61.922 1.00 0.00 SOLV O ATOM 25693 H1 TIP3 7888 32.228 10.077 62.459 1.00 0.00 SOLV H ATOM 25694 H2 TIP3 7888 33.496 9.326 62.645 1.00 0.00 SOLV H ATOM 25695 OH2 TIP3 7889 24.503 10.117 64.075 1.00 0.00 SOLV O ATOM 25696 H1 TIP3 7889 24.177 9.758 63.220 1.00 0.00 SOLV H ATOM 25697 H2 TIP3 7889 25.078 9.390 64.391 1.00 0.00 SOLV H ATOM 25698 OH2 TIP3 7890 25.717 13.606 66.478 1.00 0.00 SOLV O ATOM 25699 H1 TIP3 7890 25.719 13.732 65.503 1.00 0.00 SOLV H ATOM 25700 H2 TIP3 7890 26.440 12.961 66.617 1.00 0.00 SOLV H ATOM 25701 OH2 TIP3 7891 25.186 8.730 67.712 1.00 0.00 SOLV O ATOM 25702 H1 TIP3 7891 25.491 8.512 66.801 1.00 0.00 SOLV H ATOM 25703 H2 TIP3 7891 24.957 9.669 67.606 1.00 0.00 SOLV H ATOM 25704 OH2 TIP3 7892 31.175 14.789 68.594 1.00 0.00 SOLV O ATOM 25705 H1 TIP3 7892 31.910 14.883 69.240 1.00 0.00 SOLV H ATOM 25706 H2 TIP3 7892 30.879 13.874 68.746 1.00 0.00 SOLV H ATOM 25707 OH2 TIP3 7893 31.986 8.615 59.660 1.00 0.00 SOLV O ATOM 25708 H1 TIP3 7893 32.419 9.115 60.388 1.00 0.00 SOLV H ATOM 25709 H2 TIP3 7893 32.422 9.005 58.867 1.00 0.00 SOLV H ATOM 25710 OH2 TIP3 7894 29.849 15.809 62.670 1.00 0.00 SOLV O ATOM 25711 H1 TIP3 7894 30.248 15.414 63.456 1.00 0.00 SOLV H ATOM 25712 H2 TIP3 7894 29.257 16.482 63.024 1.00 0.00 SOLV H ATOM 25713 OH2 TIP3 7895 35.452 0.698 59.402 1.00 0.00 SOLV O ATOM 25714 H1 TIP3 7895 34.617 1.043 59.765 1.00 0.00 SOLV H ATOM 25715 H2 TIP3 7895 35.902 1.522 59.133 1.00 0.00 SOLV H ATOM 25716 OH2 TIP3 7896 23.605 9.258 61.556 1.00 0.00 SOLV O ATOM 25717 H1 TIP3 7896 23.187 9.943 60.986 1.00 0.00 SOLV H ATOM 25718 H2 TIP3 7896 23.023 8.511 61.386 1.00 0.00 SOLV H ATOM 25719 OH2 TIP3 7897 36.697 14.730 58.047 1.00 0.00 SOLV O ATOM 25720 H1 TIP3 7897 36.944 15.673 58.146 1.00 0.00 SOLV H ATOM 25721 H2 TIP3 7897 37.579 14.301 58.063 1.00 0.00 SOLV H ATOM 25722 OH2 TIP3 7898 19.561 14.672 66.895 1.00 0.00 SOLV O ATOM 25723 H1 TIP3 7898 20.383 14.303 67.245 1.00 0.00 SOLV H ATOM 25724 H2 TIP3 7898 19.161 15.113 67.659 1.00 0.00 SOLV H ATOM 25725 OH2 TIP3 7899 29.094 18.405 61.528 1.00 0.00 SOLV O ATOM 25726 H1 TIP3 7899 28.968 18.508 60.569 1.00 0.00 SOLV H ATOM 25727 H2 TIP3 7899 28.891 19.289 61.882 1.00 0.00 SOLV H ATOM 25728 OH2 TIP3 7900 22.696 17.142 63.683 1.00 0.00 SOLV O ATOM 25729 H1 TIP3 7900 22.820 16.780 64.587 1.00 0.00 SOLV H ATOM 25730 H2 TIP3 7900 22.205 16.403 63.258 1.00 0.00 SOLV H ATOM 25731 OH2 TIP3 7901 32.008 17.634 58.507 1.00 0.00 SOLV O ATOM 25732 H1 TIP3 7901 32.544 16.882 58.169 1.00 0.00 SOLV H ATOM 25733 H2 TIP3 7901 32.057 17.491 59.476 1.00 0.00 SOLV H ATOM 25734 OH2 TIP3 7902 31.715 17.455 61.275 1.00 0.00 SOLV O ATOM 25735 H1 TIP3 7902 30.758 17.558 61.479 1.00 0.00 SOLV H ATOM 25736 H2 TIP3 7902 31.896 16.685 61.837 1.00 0.00 SOLV H ATOM 25737 OH2 TIP3 7903 24.663 1.327 67.789 1.00 0.00 SOLV O ATOM 25738 H1 TIP3 7903 23.817 1.511 67.341 1.00 0.00 SOLV H ATOM 25739 H2 TIP3 7903 24.874 2.205 68.190 1.00 0.00 SOLV H ATOM 25740 OH2 TIP3 7904 33.244 9.449 57.412 1.00 0.00 SOLV O ATOM 25741 H1 TIP3 7904 33.139 9.539 56.446 1.00 0.00 SOLV H ATOM 25742 H2 TIP3 7904 34.163 9.758 57.534 1.00 0.00 SOLV H ATOM 25743 OH2 TIP3 7905 28.873 3.487 58.317 1.00 0.00 SOLV O ATOM 25744 H1 TIP3 7905 28.240 3.297 59.038 1.00 0.00 SOLV H ATOM 25745 H2 TIP3 7905 28.505 2.916 57.611 1.00 0.00 SOLV H ATOM 25746 OH2 TIP3 7906 24.235 6.323 68.683 1.00 0.00 SOLV O ATOM 25747 H1 TIP3 7906 23.390 6.703 68.978 1.00 0.00 SOLV H ATOM 25748 H2 TIP3 7906 24.695 7.126 68.347 1.00 0.00 SOLV H ATOM 25749 OH2 TIP3 7907 24.618 6.438 63.585 1.00 0.00 SOLV O ATOM 25750 H1 TIP3 7907 23.646 6.385 63.478 1.00 0.00 SOLV H ATOM 25751 H2 TIP3 7907 24.903 6.214 62.670 1.00 0.00 SOLV H ATOM 25752 OH2 TIP3 7908 30.127 6.861 62.443 1.00 0.00 SOLV O ATOM 25753 H1 TIP3 7908 29.839 7.710 62.035 1.00 0.00 SOLV H ATOM 25754 H2 TIP3 7908 30.814 6.578 61.807 1.00 0.00 SOLV H ATOM 25755 OH2 TIP3 7909 30.937 6.345 65.029 1.00 0.00 SOLV O ATOM 25756 H1 TIP3 7909 30.621 6.844 64.240 1.00 0.00 SOLV H ATOM 25757 H2 TIP3 7909 31.315 5.579 64.554 1.00 0.00 SOLV H ATOM 25758 OH2 TIP3 7910 25.610 3.840 57.007 1.00 0.00 SOLV O ATOM 25759 H1 TIP3 7910 25.240 3.757 57.909 1.00 0.00 SOLV H ATOM 25760 H2 TIP3 7910 25.084 4.600 56.678 1.00 0.00 SOLV H ATOM 25761 OH2 TIP3 7911 18.995 3.586 64.377 1.00 0.00 SOLV O ATOM 25762 H1 TIP3 7911 19.518 3.745 65.186 1.00 0.00 SOLV H ATOM 25763 H2 TIP3 7911 19.544 3.967 63.682 1.00 0.00 SOLV H ATOM 25764 OH2 TIP3 7912 19.891 4.450 59.803 1.00 0.00 SOLV O ATOM 25765 H1 TIP3 7912 20.531 4.885 59.196 1.00 0.00 SOLV H ATOM 25766 H2 TIP3 7912 19.281 5.202 59.943 1.00 0.00 SOLV H ATOM 25767 OH2 TIP3 7913 27.558 4.152 64.579 1.00 0.00 SOLV O ATOM 25768 H1 TIP3 7913 26.623 4.088 64.865 1.00 0.00 SOLV H ATOM 25769 H2 TIP3 7913 28.028 3.745 65.329 1.00 0.00 SOLV H ATOM 25770 OH2 TIP3 7914 21.966 5.712 63.289 1.00 0.00 SOLV O ATOM 25771 H1 TIP3 7914 21.190 6.091 62.807 1.00 0.00 SOLV H ATOM 25772 H2 TIP3 7914 22.159 4.891 62.803 1.00 0.00 SOLV H ATOM 25773 OH2 TIP3 7915 25.317 5.636 61.095 1.00 0.00 SOLV O ATOM 25774 H1 TIP3 7915 26.293 5.664 61.130 1.00 0.00 SOLV H ATOM 25775 H2 TIP3 7915 25.120 6.095 60.243 1.00 0.00 SOLV H ATOM 25776 OH2 TIP3 7916 31.332 3.524 67.742 1.00 0.00 SOLV O ATOM 25777 H1 TIP3 7916 31.201 3.086 68.592 1.00 0.00 SOLV H ATOM 25778 H2 TIP3 7916 30.606 3.157 67.197 1.00 0.00 SOLV H ATOM 25779 OH2 TIP3 7917 24.722 6.625 58.665 1.00 0.00 SOLV O ATOM 25780 H1 TIP3 7917 24.155 6.447 57.893 1.00 0.00 SOLV H ATOM 25781 H2 TIP3 7917 25.466 7.095 58.230 1.00 0.00 SOLV H ATOM 25782 OH2 TIP3 7918 28.344 6.811 66.301 1.00 0.00 SOLV O ATOM 25783 H1 TIP3 7918 29.109 6.654 65.721 1.00 0.00 SOLV H ATOM 25784 H2 TIP3 7918 28.555 6.236 67.048 1.00 0.00 SOLV H ATOM 25785 OH2 TIP3 7919 23.345 3.090 62.938 1.00 0.00 SOLV O ATOM 25786 H1 TIP3 7919 22.928 2.253 63.220 1.00 0.00 SOLV H ATOM 25787 H2 TIP3 7919 24.086 2.773 62.403 1.00 0.00 SOLV H ATOM 25788 OH2 TIP3 7920 27.645 11.434 60.513 1.00 0.00 SOLV O ATOM 25789 H1 TIP3 7920 26.964 10.915 60.039 1.00 0.00 SOLV H ATOM 25790 H2 TIP3 7920 27.191 11.595 61.374 1.00 0.00 SOLV H ATOM 25791 OH2 TIP3 7921 31.443 4.115 58.711 1.00 0.00 SOLV O ATOM 25792 H1 TIP3 7921 30.465 4.035 58.583 1.00 0.00 SOLV H ATOM 25793 H2 TIP3 7921 31.527 4.913 59.271 1.00 0.00 SOLV H ATOM 25794 OH2 TIP3 7922 32.054 6.075 60.580 1.00 0.00 SOLV O ATOM 25795 H1 TIP3 7922 32.966 6.005 60.915 1.00 0.00 SOLV H ATOM 25796 H2 TIP3 7922 32.051 6.985 60.200 1.00 0.00 SOLV H ATOM 25797 OH2 TIP3 7923 23.249 10.887 66.414 1.00 0.00 SOLV O ATOM 25798 H1 TIP3 7923 23.592 10.795 65.500 1.00 0.00 SOLV H ATOM 25799 H2 TIP3 7923 22.835 10.028 66.535 1.00 0.00 SOLV H ATOM 25800 OH2 TIP3 7924 29.823 12.820 59.403 1.00 0.00 SOLV O ATOM 25801 H1 TIP3 7924 29.428 13.701 59.600 1.00 0.00 SOLV H ATOM 25802 H2 TIP3 7924 29.200 12.249 59.899 1.00 0.00 SOLV H ATOM 25803 OH2 TIP3 7925 36.935 6.542 60.154 1.00 0.00 SOLV O ATOM 25804 H1 TIP3 7925 36.487 6.342 59.296 1.00 0.00 SOLV H ATOM 25805 H2 TIP3 7925 37.094 7.500 59.987 1.00 0.00 SOLV H ATOM 25806 OH2 TIP3 7926 35.484 15.083 60.658 1.00 0.00 SOLV O ATOM 25807 H1 TIP3 7926 34.858 14.428 61.004 1.00 0.00 SOLV H ATOM 25808 H2 TIP3 7926 35.696 14.732 59.776 1.00 0.00 SOLV H ATOM 25809 OH2 TIP3 7927 32.542 9.716 67.548 1.00 0.00 SOLV O ATOM 25810 H1 TIP3 7927 31.596 9.803 67.319 1.00 0.00 SOLV H ATOM 25811 H2 TIP3 7927 32.876 9.240 66.767 1.00 0.00 SOLV H ATOM 25812 OH2 TIP3 7928 25.370 14.360 63.893 1.00 0.00 SOLV O ATOM 25813 H1 TIP3 7928 25.515 15.238 63.489 1.00 0.00 SOLV H ATOM 25814 H2 TIP3 7928 24.496 14.131 63.551 1.00 0.00 SOLV H ATOM 25815 OH2 TIP3 7929 20.803 9.025 58.375 1.00 0.00 SOLV O ATOM 25816 H1 TIP3 7929 21.366 9.679 58.837 1.00 0.00 SOLV H ATOM 25817 H2 TIP3 7929 20.037 9.070 59.001 1.00 0.00 SOLV H ATOM 25818 OH2 TIP3 7930 26.184 11.913 62.740 1.00 0.00 SOLV O ATOM 25819 H1 TIP3 7930 26.088 12.745 63.231 1.00 0.00 SOLV H ATOM 25820 H2 TIP3 7930 25.613 11.303 63.244 1.00 0.00 SOLV H ATOM 25821 OH2 TIP3 7931 25.267 17.094 62.710 1.00 0.00 SOLV O ATOM 25822 H1 TIP3 7931 24.334 17.223 62.984 1.00 0.00 SOLV H ATOM 25823 H2 TIP3 7931 25.663 17.942 63.009 1.00 0.00 SOLV H ATOM 25824 OH2 TIP3 7932 33.018 13.237 58.430 1.00 0.00 SOLV O ATOM 25825 H1 TIP3 7932 33.379 12.700 59.179 1.00 0.00 SOLV H ATOM 25826 H2 TIP3 7932 32.071 13.049 58.536 1.00 0.00 SOLV H ATOM 25827 OH2 TIP3 7933 37.398 17.380 58.570 1.00 0.00 SOLV O ATOM 25828 H1 TIP3 7933 37.950 18.137 58.320 1.00 0.00 SOLV H ATOM 25829 H2 TIP3 7933 36.586 17.854 58.846 1.00 0.00 SOLV H ATOM 25830 OH2 TIP3 7934 34.052 11.727 60.411 1.00 0.00 SOLV O ATOM 25831 H1 TIP3 7934 33.566 11.111 60.998 1.00 0.00 SOLV H ATOM 25832 H2 TIP3 7934 34.971 11.481 60.634 1.00 0.00 SOLV H ATOM 25833 OH2 TIP3 7935 26.855 14.225 56.853 1.00 0.00 SOLV O ATOM 25834 H1 TIP3 7935 26.980 13.336 56.472 1.00 0.00 SOLV H ATOM 25835 H2 TIP3 7935 26.439 14.000 57.711 1.00 0.00 SOLV H ATOM 25836 OH2 TIP3 7936 25.706 13.801 59.313 1.00 0.00 SOLV O ATOM 25837 H1 TIP3 7936 26.341 13.270 59.821 1.00 0.00 SOLV H ATOM 25838 H2 TIP3 7936 25.833 14.697 59.693 1.00 0.00 SOLV H ATOM 25839 OH2 TIP3 7937 22.343 10.938 59.779 1.00 0.00 SOLV O ATOM 25840 H1 TIP3 7937 21.605 11.433 60.207 1.00 0.00 SOLV H ATOM 25841 H2 TIP3 7937 22.706 11.669 59.243 1.00 0.00 SOLV H ATOM 25842 OH2 TIP3 7938 30.990 2.971 61.522 1.00 0.00 SOLV O ATOM 25843 H1 TIP3 7938 31.035 3.401 60.652 1.00 0.00 SOLV H ATOM 25844 H2 TIP3 7938 31.371 3.663 62.106 1.00 0.00 SOLV H ATOM 25845 OH2 TIP3 7939 28.602 15.234 59.747 1.00 0.00 SOLV O ATOM 25846 H1 TIP3 7939 27.718 15.554 60.002 1.00 0.00 SOLV H ATOM 25847 H2 TIP3 7939 29.137 16.007 59.969 1.00 0.00 SOLV H ATOM 25848 OH2 TIP3 7940 27.969 5.192 62.054 1.00 0.00 SOLV O ATOM 25849 H1 TIP3 7940 28.705 5.831 62.173 1.00 0.00 SOLV H ATOM 25850 H2 TIP3 7940 27.786 4.955 62.988 1.00 0.00 SOLV H ATOM 25851 OH2 TIP3 7941 28.666 2.240 62.766 1.00 0.00 SOLV O ATOM 25852 H1 TIP3 7941 28.671 3.004 63.368 1.00 0.00 SOLV H ATOM 25853 H2 TIP3 7941 29.524 2.352 62.304 1.00 0.00 SOLV H ATOM 25854 OH2 TIP3 7942 26.134 16.387 60.189 1.00 0.00 SOLV O ATOM 25855 H1 TIP3 7942 26.132 17.255 59.734 1.00 0.00 SOLV H ATOM 25856 H2 TIP3 7942 25.822 16.643 61.085 1.00 0.00 SOLV H ATOM 25857 OH2 TIP3 7943 24.700 3.374 59.598 1.00 0.00 SOLV O ATOM 25858 H1 TIP3 7943 24.644 4.185 60.142 1.00 0.00 SOLV H ATOM 25859 H2 TIP3 7943 25.597 3.075 59.864 1.00 0.00 SOLV H ATOM 25860 OH2 TIP3 7944 33.426 7.533 65.845 1.00 0.00 SOLV O ATOM 25861 H1 TIP3 7944 32.546 7.149 65.671 1.00 0.00 SOLV H ATOM 25862 H2 TIP3 7944 33.854 6.874 66.422 1.00 0.00 SOLV H ATOM 25863 OH2 TIP3 7945 23.081 13.281 58.443 1.00 0.00 SOLV O ATOM 25864 H1 TIP3 7945 23.899 13.582 58.888 1.00 0.00 SOLV H ATOM 25865 H2 TIP3 7945 23.480 12.728 57.739 1.00 0.00 SOLV H ATOM 25866 OH2 TIP3 7946 20.879 6.300 58.033 1.00 0.00 SOLV O ATOM 25867 H1 TIP3 7946 20.972 7.240 58.291 1.00 0.00 SOLV H ATOM 25868 H2 TIP3 7946 20.248 6.370 57.308 1.00 0.00 SOLV H ATOM 25869 OH2 TIP3 7947 34.738 16.779 67.583 1.00 0.00 SOLV O ATOM 25870 H1 TIP3 7947 34.485 17.588 67.094 1.00 0.00 SOLV H ATOM 25871 H2 TIP3 7947 35.697 16.933 67.702 1.00 0.00 SOLV H ATOM 25872 OH2 TIP3 7948 22.079 0.976 66.420 1.00 0.00 SOLV O ATOM 25873 H1 TIP3 7948 22.022 1.000 65.444 1.00 0.00 SOLV H ATOM 25874 H2 TIP3 7948 22.304 0.031 66.551 1.00 0.00 SOLV H ATOM 25875 OH2 TIP3 7949 21.092 15.212 62.533 1.00 0.00 SOLV O ATOM 25876 H1 TIP3 7949 20.280 15.398 63.021 1.00 0.00 SOLV H ATOM 25877 H2 TIP3 7949 20.914 15.626 61.658 1.00 0.00 SOLV H ATOM 25878 OH2 TIP3 7950 28.984 15.970 56.778 1.00 0.00 SOLV O ATOM 25879 H1 TIP3 7950 28.226 15.357 56.927 1.00 0.00 SOLV H ATOM 25880 H2 TIP3 7950 29.704 15.326 56.688 1.00 0.00 SOLV H ATOM 25881 OH2 TIP3 7951 33.408 15.630 57.220 1.00 0.00 SOLV O ATOM 25882 H1 TIP3 7951 33.386 14.775 57.708 1.00 0.00 SOLV H ATOM 25883 H2 TIP3 7951 34.197 15.530 56.658 1.00 0.00 SOLV H ATOM 25884 OH2 TIP3 7952 24.436 11.432 57.036 1.00 0.00 SOLV O ATOM 25885 H1 TIP3 7952 24.742 10.956 57.837 1.00 0.00 SOLV H ATOM 25886 H2 TIP3 7952 25.286 11.515 56.554 1.00 0.00 SOLV H ATOM 25887 OH2 TIP3 7953 30.079 12.906 56.722 1.00 0.00 SOLV O ATOM 25888 H1 TIP3 7953 29.903 12.841 57.688 1.00 0.00 SOLV H ATOM 25889 H2 TIP3 7953 30.003 11.956 56.478 1.00 0.00 SOLV H ATOM 25890 OH2 TIP3 7954 25.597 9.977 59.239 1.00 0.00 SOLV O ATOM 25891 H1 TIP3 7954 25.055 9.519 59.903 1.00 0.00 SOLV H ATOM 25892 H2 TIP3 7954 26.005 9.232 58.751 1.00 0.00 SOLV H ATOM 25893 OH2 TIP3 7955 26.783 8.046 57.603 1.00 0.00 SOLV O ATOM 25894 H1 TIP3 7955 26.824 8.386 56.685 1.00 0.00 SOLV H ATOM 25895 H2 TIP3 7955 27.743 7.912 57.771 1.00 0.00 SOLV H ATOM 25896 OH2 TIP3 7956 35.906 10.179 57.199 1.00 0.00 SOLV O ATOM 25897 H1 TIP3 7956 35.900 9.998 56.237 1.00 0.00 SOLV H ATOM 25898 H2 TIP3 7956 35.744 11.151 57.175 1.00 0.00 SOLV H ATOM 25899 OH2 TIP3 7957 26.715 18.850 58.877 1.00 0.00 SOLV O ATOM 25900 H1 TIP3 7957 27.613 18.465 58.838 1.00 0.00 SOLV H ATOM 25901 H2 TIP3 7957 26.796 19.520 58.175 1.00 0.00 SOLV H ATOM 25902 OH2 TIP3 7958 20.400 13.741 57.544 1.00 0.00 SOLV O ATOM 25903 H1 TIP3 7958 21.128 13.613 58.186 1.00 0.00 SOLV H ATOM 25904 H2 TIP3 7958 20.314 12.832 57.182 1.00 0.00 SOLV H ATOM 25905 OH2 TIP3 7959 19.142 18.651 63.334 1.00 0.00 SOLV O ATOM 25906 H1 TIP3 7959 18.562 18.232 62.662 1.00 0.00 SOLV H ATOM 25907 H2 TIP3 7959 19.311 17.875 63.919 1.00 0.00 SOLV H ATOM 25908 OH2 TIP3 7960 19.643 16.612 65.031 1.00 0.00 SOLV O ATOM 25909 H1 TIP3 7960 19.381 15.789 65.501 1.00 0.00 SOLV H ATOM 25910 H2 TIP3 7960 20.131 17.040 65.752 1.00 0.00 SOLV H ATOM 25911 OH2 TIP3 7961 37.434 17.201 68.142 1.00 0.00 SOLV O ATOM 25912 H1 TIP3 7961 37.443 17.486 69.080 1.00 0.00 SOLV H ATOM 25913 H2 TIP3 7961 38.280 17.557 67.818 1.00 0.00 SOLV H ATOM 25914 OH2 TIP3 7962 36.679 11.044 61.046 1.00 0.00 SOLV O ATOM 25915 H1 TIP3 7962 37.441 11.652 61.103 1.00 0.00 SOLV H ATOM 25916 H2 TIP3 7962 36.831 10.460 61.821 1.00 0.00 SOLV H ATOM 25917 OH2 TIP3 7963 37.147 9.112 62.953 1.00 0.00 SOLV O ATOM 25918 H1 TIP3 7963 36.246 8.786 63.192 1.00 0.00 SOLV H ATOM 25919 H2 TIP3 7963 37.551 9.258 63.829 1.00 0.00 SOLV H ATOM 25920 OH2 TIP3 7964 37.411 12.223 68.259 1.00 0.00 SOLV O ATOM 25921 H1 TIP3 7964 37.570 11.530 67.601 1.00 0.00 SOLV H ATOM 25922 H2 TIP3 7964 37.021 12.927 67.714 1.00 0.00 SOLV H ATOM 25923 OH2 TIP3 7965 37.333 9.098 59.247 1.00 0.00 SOLV O ATOM 25924 H1 TIP3 7965 36.817 9.380 58.456 1.00 0.00 SOLV H ATOM 25925 H2 TIP3 7965 37.020 9.774 59.886 1.00 0.00 SOLV H ATOM 25926 OH2 TIP3 7966 35.837 6.247 57.689 1.00 0.00 SOLV O ATOM 25927 H1 TIP3 7966 35.550 6.850 56.992 1.00 0.00 SOLV H ATOM 25928 H2 TIP3 7966 35.526 5.394 57.319 1.00 0.00 SOLV H ATOM 25929 OH2 TIP3 7967 34.752 7.969 63.507 1.00 0.00 SOLV O ATOM 25930 H1 TIP3 7967 34.575 7.101 63.110 1.00 0.00 SOLV H ATOM 25931 H2 TIP3 7967 34.276 7.905 64.366 1.00 0.00 SOLV H ATOM 25932 OH2 TIP3 7968 19.556 9.773 67.464 1.00 0.00 SOLV O ATOM 25933 H1 TIP3 7968 19.937 9.641 66.564 1.00 0.00 SOLV H ATOM 25934 H2 TIP3 7968 20.353 9.882 68.000 1.00 0.00 SOLV H ATOM 25935 OH2 TIP3 7969 34.890 3.863 56.687 1.00 0.00 SOLV O ATOM 25936 H1 TIP3 7969 35.335 3.388 57.414 1.00 0.00 SOLV H ATOM 25937 H2 TIP3 7969 34.048 3.381 56.581 1.00 0.00 SOLV H ATOM 25938 OH2 TIP3 7970 34.625 5.503 61.882 1.00 0.00 SOLV O ATOM 25939 H1 TIP3 7970 34.931 4.568 61.921 1.00 0.00 SOLV H ATOM 25940 H2 TIP3 7970 35.359 5.896 61.377 1.00 0.00 SOLV H ATOM 25941 OH2 TIP3 7971 35.053 5.614 67.206 1.00 0.00 SOLV O ATOM 25942 H1 TIP3 7971 35.958 5.972 67.309 1.00 0.00 SOLV H ATOM 25943 H2 TIP3 7971 34.949 5.032 67.990 1.00 0.00 SOLV H ATOM 25944 OH2 TIP3 7972 35.350 2.836 61.938 1.00 0.00 SOLV O ATOM 25945 H1 TIP3 7972 35.409 2.345 62.779 1.00 0.00 SOLV H ATOM 25946 H2 TIP3 7972 34.592 2.376 61.509 1.00 0.00 SOLV H ATOM 25947 OH2 TIP3 7973 20.474 3.321 66.753 1.00 0.00 SOLV O ATOM 25948 H1 TIP3 7973 20.946 2.464 66.727 1.00 0.00 SOLV H ATOM 25949 H2 TIP3 7973 21.239 3.931 66.836 1.00 0.00 SOLV H ATOM 25950 OH2 TIP3 7974 18.860 6.537 67.461 1.00 0.00 SOLV O ATOM 25951 H1 TIP3 7974 19.557 6.498 66.771 1.00 0.00 SOLV H ATOM 25952 H2 TIP3 7974 18.873 7.479 67.684 1.00 0.00 SOLV H ATOM 25953 OH2 TIP3 7975 36.778 2.901 58.549 1.00 0.00 SOLV O ATOM 25954 H1 TIP3 7975 37.205 2.249 57.946 1.00 0.00 SOLV H ATOM 25955 H2 TIP3 7975 37.544 3.410 58.877 1.00 0.00 SOLV H ATOM 25956 OH2 TIP3 7976 19.278 2.386 61.486 1.00 0.00 SOLV O ATOM 25957 H1 TIP3 7976 18.318 2.570 61.536 1.00 0.00 SOLV H ATOM 25958 H2 TIP3 7976 19.573 3.165 60.963 1.00 0.00 SOLV H ATOM 25959 OH2 TIP3 7977 34.045 17.772 63.583 1.00 0.00 SOLV O ATOM 25960 H1 TIP3 7977 34.760 17.736 62.915 1.00 0.00 SOLV H ATOM 25961 H2 TIP3 7977 34.531 18.000 64.388 1.00 0.00 SOLV H ATOM 25962 OH2 TIP3 7978 29.323 19.191 68.192 1.00 0.00 SOLV O ATOM 25963 H1 TIP3 7978 28.535 18.865 67.731 1.00 0.00 SOLV H ATOM 25964 H2 TIP3 7978 29.309 18.683 69.022 1.00 0.00 SOLV H ATOM 25965 OH2 TIP3 7979 21.225 17.610 67.296 1.00 0.00 SOLV O ATOM 25966 H1 TIP3 7979 21.568 17.635 68.223 1.00 0.00 SOLV H ATOM 25967 H2 TIP3 7979 21.902 17.019 66.895 1.00 0.00 SOLV H ATOM 25968 OH2 TIP3 7980 23.224 16.137 66.186 1.00 0.00 SOLV O ATOM 25969 H1 TIP3 7980 23.083 15.197 66.454 1.00 0.00 SOLV H ATOM 25970 H2 TIP3 7980 24.173 16.248 66.396 1.00 0.00 SOLV H ATOM 25971 OH2 TIP3 7981 26.012 16.334 66.979 1.00 0.00 SOLV O ATOM 25972 H1 TIP3 7981 26.125 15.452 66.575 1.00 0.00 SOLV H ATOM 25973 H2 TIP3 7981 26.209 16.103 67.898 1.00 0.00 SOLV H ATOM 25974 OH2 TIP3 7982 29.218 2.473 66.180 1.00 0.00 SOLV O ATOM 25975 H1 TIP3 7982 28.420 1.902 66.231 1.00 0.00 SOLV H ATOM 25976 H2 TIP3 7982 29.814 1.901 65.645 1.00 0.00 SOLV H ATOM 25977 OH2 TIP3 7983 34.801 1.205 66.347 1.00 0.00 SOLV O ATOM 25978 H1 TIP3 7983 35.532 1.324 65.715 1.00 0.00 SOLV H ATOM 25979 H2 TIP3 7983 34.058 1.261 65.731 1.00 0.00 SOLV H ATOM 25980 OH2 TIP3 7984 36.379 1.447 64.144 1.00 0.00 SOLV O ATOM 25981 H1 TIP3 7984 37.049 1.025 63.596 1.00 0.00 SOLV H ATOM 25982 H2 TIP3 7984 36.792 2.338 64.272 1.00 0.00 SOLV H ATOM 25983 OH2 TIP3 7985 21.913 0.791 63.600 1.00 0.00 SOLV O ATOM 25984 H1 TIP3 7985 21.222 1.045 62.969 1.00 0.00 SOLV H ATOM 25985 H2 TIP3 7985 22.182 -0.080 63.280 1.00 0.00 SOLV H ATOM 25986 OH2 TIP3 7986 20.849 0.835 59.798 1.00 0.00 SOLV O ATOM 25987 H1 TIP3 7986 21.211 1.508 59.182 1.00 0.00 SOLV H ATOM 25988 H2 TIP3 7986 20.238 1.375 60.337 1.00 0.00 SOLV H ATOM 25989 OH2 TIP3 7987 26.179 1.497 63.619 1.00 0.00 SOLV O ATOM 25990 H1 TIP3 7987 27.010 1.849 63.239 1.00 0.00 SOLV H ATOM 25991 H2 TIP3 7987 26.434 1.413 64.560 1.00 0.00 SOLV H ATOM 25992 OH2 TIP3 7988 31.077 1.012 64.749 1.00 0.00 SOLV O ATOM 25993 H1 TIP3 7988 31.486 1.491 64.021 1.00 0.00 SOLV H ATOM 25994 H2 TIP3 7988 31.779 0.371 65.008 1.00 0.00 SOLV H ATOM 25995 OH2 TIP3 7989 33.250 1.435 60.891 1.00 0.00 SOLV O ATOM 25996 H1 TIP3 7989 32.344 1.767 61.064 1.00 0.00 SOLV H ATOM 25997 H2 TIP3 7989 33.107 0.472 60.774 1.00 0.00 SOLV H ATOM 25998 OH2 TIP3 7990 20.585 16.837 60.372 1.00 0.00 SOLV O ATOM 25999 H1 TIP3 7990 19.841 16.660 59.770 1.00 0.00 SOLV H ATOM 26000 H2 TIP3 7990 20.589 17.806 60.374 1.00 0.00 SOLV H ATOM 26001 OH2 TIP3 7991 22.358 2.540 58.159 1.00 0.00 SOLV O ATOM 26002 H1 TIP3 7991 22.835 2.050 57.456 1.00 0.00 SOLV H ATOM 26003 H2 TIP3 7991 23.106 2.849 58.712 1.00 0.00 SOLV H ATOM 26004 OH2 TIP3 7992 27.284 3.003 60.501 1.00 0.00 SOLV O ATOM 26005 H1 TIP3 7992 27.669 2.317 61.076 1.00 0.00 SOLV H ATOM 26006 H2 TIP3 7992 27.553 3.800 61.010 1.00 0.00 SOLV H ATOM 26007 OH2 TIP3 7993 29.269 17.923 58.716 1.00 0.00 SOLV O ATOM 26008 H1 TIP3 7993 30.245 17.972 58.647 1.00 0.00 SOLV H ATOM 26009 H2 TIP3 7993 29.100 17.240 58.027 1.00 0.00 SOLV H ATOM 26010 OH2 TIP3 7994 36.098 17.526 61.718 1.00 0.00 SOLV O ATOM 26011 H1 TIP3 7994 35.923 16.607 61.402 1.00 0.00 SOLV H ATOM 26012 H2 TIP3 7994 35.884 18.035 60.910 1.00 0.00 SOLV H ATOM 26013 OH2 TIP3 7995 22.297 17.546 57.325 1.00 0.00 SOLV O ATOM 26014 H1 TIP3 7995 22.057 17.186 58.192 1.00 0.00 SOLV H ATOM 26015 H2 TIP3 7995 23.117 17.028 57.135 1.00 0.00 SOLV H ATOM 26016 OH2 TIP3 7996 49.694 10.082 63.583 1.00 0.00 SOLV O ATOM 26017 H1 TIP3 7996 49.608 11.055 63.505 1.00 0.00 SOLV H ATOM 26018 H2 TIP3 7996 49.063 9.806 62.891 1.00 0.00 SOLV H ATOM 26019 OH2 TIP3 7997 48.575 9.388 67.196 1.00 0.00 SOLV O ATOM 26020 H1 TIP3 7997 48.588 8.665 67.839 1.00 0.00 SOLV H ATOM 26021 H2 TIP3 7997 48.274 8.937 66.395 1.00 0.00 SOLV H ATOM 26022 OH2 TIP3 7998 52.316 12.154 65.399 1.00 0.00 SOLV O ATOM 26023 H1 TIP3 7998 52.011 11.505 66.049 1.00 0.00 SOLV H ATOM 26024 H2 TIP3 7998 52.498 12.927 65.979 1.00 0.00 SOLV H ATOM 26025 OH2 TIP3 7999 41.905 13.509 67.001 1.00 0.00 SOLV O ATOM 26026 H1 TIP3 7999 41.668 12.580 66.810 1.00 0.00 SOLV H ATOM 26027 H2 TIP3 7999 42.882 13.445 66.928 1.00 0.00 SOLV H ATOM 26028 OH2 TIP3 8000 38.631 6.782 62.311 1.00 0.00 SOLV O ATOM 26029 H1 TIP3 8000 38.197 7.596 62.633 1.00 0.00 SOLV H ATOM 26030 H2 TIP3 8000 38.049 6.586 61.552 1.00 0.00 SOLV H ATOM 26031 OH2 TIP3 8001 39.129 9.130 64.889 1.00 0.00 SOLV O ATOM 26032 H1 TIP3 8001 39.410 8.211 65.088 1.00 0.00 SOLV H ATOM 26033 H2 TIP3 8001 39.872 9.470 64.375 1.00 0.00 SOLV H ATOM 26034 OH2 TIP3 8002 49.514 17.573 65.770 1.00 0.00 SOLV O ATOM 26035 H1 TIP3 8002 49.874 16.712 65.493 1.00 0.00 SOLV H ATOM 26036 H2 TIP3 8002 49.198 17.421 66.676 1.00 0.00 SOLV H ATOM 26037 OH2 TIP3 8003 46.681 11.873 67.607 1.00 0.00 SOLV O ATOM 26038 H1 TIP3 8003 47.095 11.119 67.155 1.00 0.00 SOLV H ATOM 26039 H2 TIP3 8003 47.444 12.139 68.166 1.00 0.00 SOLV H ATOM 26040 OH2 TIP3 8004 56.219 3.165 68.254 1.00 0.00 SOLV O ATOM 26041 H1 TIP3 8004 55.719 3.973 68.094 1.00 0.00 SOLV H ATOM 26042 H2 TIP3 8004 56.944 3.246 67.598 1.00 0.00 SOLV H ATOM 26043 OH2 TIP3 8005 49.660 6.263 67.918 1.00 0.00 SOLV O ATOM 26044 H1 TIP3 8005 49.919 5.319 68.018 1.00 0.00 SOLV H ATOM 26045 H2 TIP3 8005 49.808 6.378 66.964 1.00 0.00 SOLV H ATOM 26046 OH2 TIP3 8006 43.622 4.200 65.052 1.00 0.00 SOLV O ATOM 26047 H1 TIP3 8006 43.658 5.062 64.586 1.00 0.00 SOLV H ATOM 26048 H2 TIP3 8006 43.142 3.671 64.380 1.00 0.00 SOLV H ATOM 26049 OH2 TIP3 8007 51.254 4.515 63.357 1.00 0.00 SOLV O ATOM 26050 H1 TIP3 8007 51.732 4.204 64.166 1.00 0.00 SOLV H ATOM 26051 H2 TIP3 8007 52.004 4.879 62.852 1.00 0.00 SOLV H ATOM 26052 OH2 TIP3 8008 39.926 6.635 65.696 1.00 0.00 SOLV O ATOM 26053 H1 TIP3 8008 40.545 6.129 66.257 1.00 0.00 SOLV H ATOM 26054 H2 TIP3 8008 40.171 6.264 64.821 1.00 0.00 SOLV H ATOM 26055 OH2 TIP3 8009 44.948 8.074 65.262 1.00 0.00 SOLV O ATOM 26056 H1 TIP3 8009 45.780 7.617 65.517 1.00 0.00 SOLV H ATOM 26057 H2 TIP3 8009 44.538 7.412 64.661 1.00 0.00 SOLV H ATOM 26058 OH2 TIP3 8010 49.262 12.644 62.533 1.00 0.00 SOLV O ATOM 26059 H1 TIP3 8010 49.185 12.863 61.592 1.00 0.00 SOLV H ATOM 26060 H2 TIP3 8010 48.869 13.450 62.936 1.00 0.00 SOLV H ATOM 26061 OH2 TIP3 8011 52.660 3.923 65.529 1.00 0.00 SOLV O ATOM 26062 H1 TIP3 8011 52.938 3.086 65.961 1.00 0.00 SOLV H ATOM 26063 H2 TIP3 8011 53.122 4.584 66.085 1.00 0.00 SOLV H ATOM 26064 OH2 TIP3 8012 41.732 4.895 66.882 1.00 0.00 SOLV O ATOM 26065 H1 TIP3 8012 42.304 5.224 67.604 1.00 0.00 SOLV H ATOM 26066 H2 TIP3 8012 42.416 4.593 66.245 1.00 0.00 SOLV H ATOM 26067 OH2 TIP3 8013 39.061 12.644 60.884 1.00 0.00 SOLV O ATOM 26068 H1 TIP3 8013 38.897 13.127 60.053 1.00 0.00 SOLV H ATOM 26069 H2 TIP3 8013 39.379 13.366 61.467 1.00 0.00 SOLV H ATOM 26070 OH2 TIP3 8014 52.577 14.293 67.055 1.00 0.00 SOLV O ATOM 26071 H1 TIP3 8014 51.728 14.549 67.446 1.00 0.00 SOLV H ATOM 26072 H2 TIP3 8014 53.103 15.107 67.185 1.00 0.00 SOLV H ATOM 26073 OH2 TIP3 8015 45.812 0.912 66.207 1.00 0.00 SOLV O ATOM 26074 H1 TIP3 8015 46.213 0.140 66.663 1.00 0.00 SOLV H ATOM 26075 H2 TIP3 8015 44.977 1.008 66.722 1.00 0.00 SOLV H ATOM 26076 OH2 TIP3 8016 50.891 15.898 63.899 1.00 0.00 SOLV O ATOM 26077 H1 TIP3 8016 51.370 15.063 63.690 1.00 0.00 SOLV H ATOM 26078 H2 TIP3 8016 51.645 16.527 63.915 1.00 0.00 SOLV H ATOM 26079 OH2 TIP3 8017 52.229 13.679 63.109 1.00 0.00 SOLV O ATOM 26080 H1 TIP3 8017 51.807 13.061 62.500 1.00 0.00 SOLV H ATOM 26081 H2 TIP3 8017 52.339 13.113 63.905 1.00 0.00 SOLV H ATOM 26082 OH2 TIP3 8018 48.371 9.308 61.308 1.00 0.00 SOLV O ATOM 26083 H1 TIP3 8018 47.733 10.014 61.069 1.00 0.00 SOLV H ATOM 26084 H2 TIP3 8018 49.021 9.379 60.587 1.00 0.00 SOLV H ATOM 26085 OH2 TIP3 8019 48.475 7.963 57.906 1.00 0.00 SOLV O ATOM 26086 H1 TIP3 8019 49.046 8.246 58.644 1.00 0.00 SOLV H ATOM 26087 H2 TIP3 8019 49.090 7.368 57.428 1.00 0.00 SOLV H ATOM 26088 OH2 TIP3 8020 51.863 9.532 61.968 1.00 0.00 SOLV O ATOM 26089 H1 TIP3 8020 51.187 9.712 62.660 1.00 0.00 SOLV H ATOM 26090 H2 TIP3 8020 52.548 9.077 62.502 1.00 0.00 SOLV H ATOM 26091 OH2 TIP3 8021 43.374 10.094 64.104 1.00 0.00 SOLV O ATOM 26092 H1 TIP3 8021 43.098 9.778 63.216 1.00 0.00 SOLV H ATOM 26093 H2 TIP3 8021 43.969 9.374 64.398 1.00 0.00 SOLV H ATOM 26094 OH2 TIP3 8022 44.574 13.454 66.420 1.00 0.00 SOLV O ATOM 26095 H1 TIP3 8022 44.660 13.627 65.458 1.00 0.00 SOLV H ATOM 26096 H2 TIP3 8022 45.325 12.861 66.613 1.00 0.00 SOLV H ATOM 26097 OH2 TIP3 8023 43.774 8.824 67.596 1.00 0.00 SOLV O ATOM 26098 H1 TIP3 8023 44.236 8.657 66.742 1.00 0.00 SOLV H ATOM 26099 H2 TIP3 8023 43.998 9.749 67.788 1.00 0.00 SOLV H ATOM 26100 OH2 TIP3 8024 50.019 14.808 68.540 1.00 0.00 SOLV O ATOM 26101 H1 TIP3 8024 50.773 15.062 69.127 1.00 0.00 SOLV H ATOM 26102 H2 TIP3 8024 49.829 13.904 68.833 1.00 0.00 SOLV H ATOM 26103 OH2 TIP3 8025 50.581 8.778 59.642 1.00 0.00 SOLV O ATOM 26104 H1 TIP3 8025 51.105 9.171 60.377 1.00 0.00 SOLV H ATOM 26105 H2 TIP3 8025 51.116 9.072 58.862 1.00 0.00 SOLV H ATOM 26106 OH2 TIP3 8026 48.397 15.164 63.217 1.00 0.00 SOLV O ATOM 26107 H1 TIP3 8026 49.285 15.455 63.523 1.00 0.00 SOLV H ATOM 26108 H2 TIP3 8026 48.047 15.984 62.848 1.00 0.00 SOLV H ATOM 26109 OH2 TIP3 8027 54.235 0.734 59.275 1.00 0.00 SOLV O ATOM 26110 H1 TIP3 8027 53.456 1.075 59.747 1.00 0.00 SOLV H ATOM 26111 H2 TIP3 8027 54.722 1.553 59.068 1.00 0.00 SOLV H ATOM 26112 OH2 TIP3 8028 42.481 9.286 61.551 1.00 0.00 SOLV O ATOM 26113 H1 TIP3 8028 41.997 9.948 61.010 1.00 0.00 SOLV H ATOM 26114 H2 TIP3 8028 41.986 8.483 61.355 1.00 0.00 SOLV H ATOM 26115 OH2 TIP3 8029 55.570 14.741 58.054 1.00 0.00 SOLV O ATOM 26116 H1 TIP3 8029 55.820 15.685 58.148 1.00 0.00 SOLV H ATOM 26117 H2 TIP3 8029 56.453 14.312 58.064 1.00 0.00 SOLV H ATOM 26118 OH2 TIP3 8030 38.380 14.717 66.929 1.00 0.00 SOLV O ATOM 26119 H1 TIP3 8030 39.195 14.422 67.353 1.00 0.00 SOLV H ATOM 26120 H2 TIP3 8030 37.967 15.297 67.593 1.00 0.00 SOLV H ATOM 26121 OH2 TIP3 8031 48.149 18.137 61.690 1.00 0.00 SOLV O ATOM 26122 H1 TIP3 8031 47.882 18.257 60.763 1.00 0.00 SOLV H ATOM 26123 H2 TIP3 8031 47.854 18.972 62.101 1.00 0.00 SOLV H ATOM 26124 OH2 TIP3 8032 41.506 17.061 63.634 1.00 0.00 SOLV O ATOM 26125 H1 TIP3 8032 41.636 16.734 64.549 1.00 0.00 SOLV H ATOM 26126 H2 TIP3 8032 40.979 16.341 63.241 1.00 0.00 SOLV H ATOM 26127 OH2 TIP3 8033 50.876 17.615 58.486 1.00 0.00 SOLV O ATOM 26128 H1 TIP3 8033 51.418 16.877 58.129 1.00 0.00 SOLV H ATOM 26129 H2 TIP3 8033 50.990 17.488 59.453 1.00 0.00 SOLV H ATOM 26130 OH2 TIP3 8034 50.750 17.474 61.260 1.00 0.00 SOLV O ATOM 26131 H1 TIP3 8034 49.804 17.622 61.482 1.00 0.00 SOLV H ATOM 26132 H2 TIP3 8034 51.036 16.957 62.033 1.00 0.00 SOLV H ATOM 26133 OH2 TIP3 8035 43.556 1.369 67.724 1.00 0.00 SOLV O ATOM 26134 H1 TIP3 8035 42.664 1.429 67.330 1.00 0.00 SOLV H ATOM 26135 H2 TIP3 8035 43.712 2.278 68.059 1.00 0.00 SOLV H ATOM 26136 OH2 TIP3 8036 52.080 9.400 57.488 1.00 0.00 SOLV O ATOM 26137 H1 TIP3 8036 51.951 9.531 56.529 1.00 0.00 SOLV H ATOM 26138 H2 TIP3 8036 53.018 9.666 57.582 1.00 0.00 SOLV H ATOM 26139 OH2 TIP3 8037 47.671 3.470 58.316 1.00 0.00 SOLV O ATOM 26140 H1 TIP3 8037 47.053 3.367 59.068 1.00 0.00 SOLV H ATOM 26141 H2 TIP3 8037 47.365 2.776 57.727 1.00 0.00 SOLV H ATOM 26142 OH2 TIP3 8038 43.134 6.403 68.722 1.00 0.00 SOLV O ATOM 26143 H1 TIP3 8038 42.236 6.664 68.995 1.00 0.00 SOLV H ATOM 26144 H2 TIP3 8038 43.451 7.238 68.310 1.00 0.00 SOLV H ATOM 26145 OH2 TIP3 8039 43.494 6.470 63.594 1.00 0.00 SOLV O ATOM 26146 H1 TIP3 8039 42.521 6.365 63.515 1.00 0.00 SOLV H ATOM 26147 H2 TIP3 8039 43.761 6.219 62.680 1.00 0.00 SOLV H ATOM 26148 OH2 TIP3 8040 49.007 6.836 62.408 1.00 0.00 SOLV O ATOM 26149 H1 TIP3 8040 48.783 7.717 62.035 1.00 0.00 SOLV H ATOM 26150 H2 TIP3 8040 49.688 6.526 61.775 1.00 0.00 SOLV H ATOM 26151 OH2 TIP3 8041 49.802 6.345 65.018 1.00 0.00 SOLV O ATOM 26152 H1 TIP3 8041 49.496 6.809 64.207 1.00 0.00 SOLV H ATOM 26153 H2 TIP3 8041 50.198 5.566 64.578 1.00 0.00 SOLV H ATOM 26154 OH2 TIP3 8042 44.576 3.964 57.117 1.00 0.00 SOLV O ATOM 26155 H1 TIP3 8042 44.181 3.900 58.012 1.00 0.00 SOLV H ATOM 26156 H2 TIP3 8042 43.995 4.663 56.728 1.00 0.00 SOLV H ATOM 26157 OH2 TIP3 8043 37.830 3.668 64.250 1.00 0.00 SOLV O ATOM 26158 H1 TIP3 8043 38.433 3.742 65.018 1.00 0.00 SOLV H ATOM 26159 H2 TIP3 8043 38.405 3.856 63.500 1.00 0.00 SOLV H ATOM 26160 OH2 TIP3 8044 38.771 4.434 59.784 1.00 0.00 SOLV O ATOM 26161 H1 TIP3 8044 39.397 4.866 59.161 1.00 0.00 SOLV H ATOM 26162 H2 TIP3 8044 38.169 5.190 59.938 1.00 0.00 SOLV H ATOM 26163 OH2 TIP3 8045 46.398 4.190 64.580 1.00 0.00 SOLV O ATOM 26164 H1 TIP3 8045 45.469 4.100 64.877 1.00 0.00 SOLV H ATOM 26165 H2 TIP3 8045 46.885 3.736 65.295 1.00 0.00 SOLV H ATOM 26166 OH2 TIP3 8046 40.892 5.667 63.318 1.00 0.00 SOLV O ATOM 26167 H1 TIP3 8046 40.105 5.989 62.814 1.00 0.00 SOLV H ATOM 26168 H2 TIP3 8046 41.085 4.806 62.904 1.00 0.00 SOLV H ATOM 26169 OH2 TIP3 8047 44.142 5.627 61.105 1.00 0.00 SOLV O ATOM 26170 H1 TIP3 8047 45.117 5.646 61.169 1.00 0.00 SOLV H ATOM 26171 H2 TIP3 8047 43.971 6.082 60.246 1.00 0.00 SOLV H ATOM 26172 OH2 TIP3 8048 50.057 3.557 67.875 1.00 0.00 SOLV O ATOM 26173 H1 TIP3 8048 49.850 2.953 68.597 1.00 0.00 SOLV H ATOM 26174 H2 TIP3 8048 49.535 3.187 67.141 1.00 0.00 SOLV H ATOM 26175 OH2 TIP3 8049 43.597 6.673 58.679 1.00 0.00 SOLV O ATOM 26176 H1 TIP3 8049 43.037 6.457 57.910 1.00 0.00 SOLV H ATOM 26177 H2 TIP3 8049 44.343 7.125 58.229 1.00 0.00 SOLV H ATOM 26178 OH2 TIP3 8050 47.243 6.851 66.255 1.00 0.00 SOLV O ATOM 26179 H1 TIP3 8050 47.986 6.593 65.682 1.00 0.00 SOLV H ATOM 26180 H2 TIP3 8050 47.391 6.271 67.013 1.00 0.00 SOLV H ATOM 26181 OH2 TIP3 8051 42.226 3.029 62.994 1.00 0.00 SOLV O ATOM 26182 H1 TIP3 8051 41.696 2.256 63.275 1.00 0.00 SOLV H ATOM 26183 H2 TIP3 8051 43.023 2.592 62.656 1.00 0.00 SOLV H ATOM 26184 OH2 TIP3 8052 46.512 11.273 60.575 1.00 0.00 SOLV O ATOM 26185 H1 TIP3 8052 45.765 10.842 60.107 1.00 0.00 SOLV H ATOM 26186 H2 TIP3 8052 46.087 11.489 61.441 1.00 0.00 SOLV H ATOM 26187 OH2 TIP3 8053 50.268 4.084 58.773 1.00 0.00 SOLV O ATOM 26188 H1 TIP3 8053 49.294 4.073 58.622 1.00 0.00 SOLV H ATOM 26189 H2 TIP3 8053 50.412 4.917 59.264 1.00 0.00 SOLV H ATOM 26190 OH2 TIP3 8054 50.952 6.141 60.534 1.00 0.00 SOLV O ATOM 26191 H1 TIP3 8054 51.858 6.015 60.876 1.00 0.00 SOLV H ATOM 26192 H2 TIP3 8054 50.989 7.049 60.172 1.00 0.00 SOLV H ATOM 26193 OH2 TIP3 8055 41.852 10.781 66.330 1.00 0.00 SOLV O ATOM 26194 H1 TIP3 8055 42.304 10.671 65.468 1.00 0.00 SOLV H ATOM 26195 H2 TIP3 8055 42.234 10.057 66.842 1.00 0.00 SOLV H ATOM 26196 OH2 TIP3 8056 48.583 12.806 59.655 1.00 0.00 SOLV O ATOM 26197 H1 TIP3 8056 48.210 13.717 59.739 1.00 0.00 SOLV H ATOM 26198 H2 TIP3 8056 47.829 12.263 59.974 1.00 0.00 SOLV H ATOM 26199 OH2 TIP3 8057 55.731 6.569 60.171 1.00 0.00 SOLV O ATOM 26200 H1 TIP3 8057 55.288 6.375 59.310 1.00 0.00 SOLV H ATOM 26201 H2 TIP3 8057 55.930 7.517 59.991 1.00 0.00 SOLV H ATOM 26202 OH2 TIP3 8058 54.333 15.139 60.603 1.00 0.00 SOLV O ATOM 26203 H1 TIP3 8058 53.766 14.441 60.959 1.00 0.00 SOLV H ATOM 26204 H2 TIP3 8058 54.590 14.794 59.730 1.00 0.00 SOLV H ATOM 26205 OH2 TIP3 8059 51.362 9.906 67.328 1.00 0.00 SOLV O ATOM 26206 H1 TIP3 8059 50.402 9.868 67.150 1.00 0.00 SOLV H ATOM 26207 H2 TIP3 8059 51.702 9.189 66.759 1.00 0.00 SOLV H ATOM 26208 OH2 TIP3 8060 44.219 14.313 63.787 1.00 0.00 SOLV O ATOM 26209 H1 TIP3 8060 44.444 15.192 63.419 1.00 0.00 SOLV H ATOM 26210 H2 TIP3 8060 43.277 14.265 63.585 1.00 0.00 SOLV H ATOM 26211 OH2 TIP3 8061 39.932 8.902 58.387 1.00 0.00 SOLV O ATOM 26212 H1 TIP3 8061 40.368 9.633 58.875 1.00 0.00 SOLV H ATOM 26213 H2 TIP3 8061 39.011 8.986 58.725 1.00 0.00 SOLV H ATOM 26214 OH2 TIP3 8062 45.169 11.864 62.842 1.00 0.00 SOLV O ATOM 26215 H1 TIP3 8062 44.983 12.756 63.190 1.00 0.00 SOLV H ATOM 26216 H2 TIP3 8062 44.567 11.313 63.374 1.00 0.00 SOLV H ATOM 26217 OH2 TIP3 8063 44.122 17.033 62.698 1.00 0.00 SOLV O ATOM 26218 H1 TIP3 8063 43.191 17.201 62.949 1.00 0.00 SOLV H ATOM 26219 H2 TIP3 8063 44.550 17.858 63.023 1.00 0.00 SOLV H ATOM 26220 OH2 TIP3 8064 51.969 13.210 58.462 1.00 0.00 SOLV O ATOM 26221 H1 TIP3 8064 52.237 12.689 59.256 1.00 0.00 SOLV H ATOM 26222 H2 TIP3 8064 51.021 13.007 58.423 1.00 0.00 SOLV H ATOM 26223 OH2 TIP3 8065 56.269 17.398 58.575 1.00 0.00 SOLV O ATOM 26224 H1 TIP3 8065 56.841 18.170 58.433 1.00 0.00 SOLV H ATOM 26225 H2 TIP3 8065 55.445 17.858 58.843 1.00 0.00 SOLV H ATOM 26226 OH2 TIP3 8066 52.828 11.739 60.601 1.00 0.00 SOLV O ATOM 26227 H1 TIP3 8066 52.440 11.008 61.122 1.00 0.00 SOLV H ATOM 26228 H2 TIP3 8066 53.783 11.556 60.729 1.00 0.00 SOLV H ATOM 26229 OH2 TIP3 8067 45.800 14.175 56.869 1.00 0.00 SOLV O ATOM 26230 H1 TIP3 8067 45.829 13.295 56.448 1.00 0.00 SOLV H ATOM 26231 H2 TIP3 8067 45.310 13.977 57.692 1.00 0.00 SOLV H ATOM 26232 OH2 TIP3 8068 44.510 13.839 59.299 1.00 0.00 SOLV O ATOM 26233 H1 TIP3 8068 45.089 13.346 59.895 1.00 0.00 SOLV H ATOM 26234 H2 TIP3 8068 44.636 14.761 59.620 1.00 0.00 SOLV H ATOM 26235 OH2 TIP3 8069 40.994 10.960 59.907 1.00 0.00 SOLV O ATOM 26236 H1 TIP3 8069 40.259 11.431 60.360 1.00 0.00 SOLV H ATOM 26237 H2 TIP3 8069 41.380 11.707 59.408 1.00 0.00 SOLV H ATOM 26238 OH2 TIP3 8070 49.805 3.008 61.512 1.00 0.00 SOLV O ATOM 26239 H1 TIP3 8070 49.972 3.403 60.637 1.00 0.00 SOLV H ATOM 26240 H2 TIP3 8070 50.225 3.664 62.110 1.00 0.00 SOLV H ATOM 26241 OH2 TIP3 8071 47.513 15.271 59.891 1.00 0.00 SOLV O ATOM 26242 H1 TIP3 8071 46.608 15.584 60.088 1.00 0.00 SOLV H ATOM 26243 H2 TIP3 8071 47.929 16.114 59.647 1.00 0.00 SOLV H ATOM 26244 OH2 TIP3 8072 46.774 5.224 62.049 1.00 0.00 SOLV O ATOM 26245 H1 TIP3 8072 47.545 5.816 62.178 1.00 0.00 SOLV H ATOM 26246 H2 TIP3 8072 46.613 4.936 62.975 1.00 0.00 SOLV H ATOM 26247 OH2 TIP3 8073 47.510 2.214 62.745 1.00 0.00 SOLV O ATOM 26248 H1 TIP3 8073 47.614 2.855 63.466 1.00 0.00 SOLV H ATOM 26249 H2 TIP3 8073 48.360 2.342 62.268 1.00 0.00 SOLV H ATOM 26250 OH2 TIP3 8074 45.025 16.360 60.196 1.00 0.00 SOLV O ATOM 26251 H1 TIP3 8074 45.016 17.220 59.718 1.00 0.00 SOLV H ATOM 26252 H2 TIP3 8074 44.691 16.633 61.080 1.00 0.00 SOLV H ATOM 26253 OH2 TIP3 8075 43.558 3.363 59.608 1.00 0.00 SOLV O ATOM 26254 H1 TIP3 8075 43.450 4.133 60.204 1.00 0.00 SOLV H ATOM 26255 H2 TIP3 8075 44.449 3.071 59.901 1.00 0.00 SOLV H ATOM 26256 OH2 TIP3 8076 52.259 7.567 65.900 1.00 0.00 SOLV O ATOM 26257 H1 TIP3 8076 51.434 7.088 65.697 1.00 0.00 SOLV H ATOM 26258 H2 TIP3 8076 52.764 6.918 66.431 1.00 0.00 SOLV H ATOM 26259 OH2 TIP3 8077 41.845 13.229 58.486 1.00 0.00 SOLV O ATOM 26260 H1 TIP3 8077 42.630 13.664 58.876 1.00 0.00 SOLV H ATOM 26261 H2 TIP3 8077 42.300 12.690 57.802 1.00 0.00 SOLV H ATOM 26262 OH2 TIP3 8078 39.814 6.181 57.959 1.00 0.00 SOLV O ATOM 26263 H1 TIP3 8078 39.999 7.112 58.196 1.00 0.00 SOLV H ATOM 26264 H2 TIP3 8078 39.224 6.288 57.203 1.00 0.00 SOLV H ATOM 26265 OH2 TIP3 8079 53.704 16.771 67.660 1.00 0.00 SOLV O ATOM 26266 H1 TIP3 8079 53.500 17.525 67.068 1.00 0.00 SOLV H ATOM 26267 H2 TIP3 8079 54.617 17.007 67.938 1.00 0.00 SOLV H ATOM 26268 OH2 TIP3 8080 41.016 0.982 66.458 1.00 0.00 SOLV O ATOM 26269 H1 TIP3 8080 40.931 1.016 65.487 1.00 0.00 SOLV H ATOM 26270 H2 TIP3 8080 41.168 0.018 66.576 1.00 0.00 SOLV H ATOM 26271 OH2 TIP3 8081 39.750 14.983 62.292 1.00 0.00 SOLV O ATOM 26272 H1 TIP3 8081 39.083 15.200 62.957 1.00 0.00 SOLV H ATOM 26273 H2 TIP3 8081 39.588 15.666 61.598 1.00 0.00 SOLV H ATOM 26274 OH2 TIP3 8082 47.873 15.979 56.783 1.00 0.00 SOLV O ATOM 26275 H1 TIP3 8082 47.162 15.303 56.883 1.00 0.00 SOLV H ATOM 26276 H2 TIP3 8082 48.631 15.418 56.539 1.00 0.00 SOLV H ATOM 26277 OH2 TIP3 8083 52.282 15.624 57.179 1.00 0.00 SOLV O ATOM 26278 H1 TIP3 8083 52.344 14.793 57.698 1.00 0.00 SOLV H ATOM 26279 H2 TIP3 8083 53.060 15.569 56.594 1.00 0.00 SOLV H ATOM 26280 OH2 TIP3 8084 43.275 11.473 57.039 1.00 0.00 SOLV O ATOM 26281 H1 TIP3 8084 43.615 10.994 57.820 1.00 0.00 SOLV H ATOM 26282 H2 TIP3 8084 44.104 11.560 56.518 1.00 0.00 SOLV H ATOM 26283 OH2 TIP3 8085 49.093 12.865 56.959 1.00 0.00 SOLV O ATOM 26284 H1 TIP3 8085 48.804 12.792 57.892 1.00 0.00 SOLV H ATOM 26285 H2 TIP3 8085 48.955 11.942 56.651 1.00 0.00 SOLV H ATOM 26286 OH2 TIP3 8086 44.459 9.923 59.285 1.00 0.00 SOLV O ATOM 26287 H1 TIP3 8086 43.919 9.441 59.932 1.00 0.00 SOLV H ATOM 26288 H2 TIP3 8086 44.874 9.197 58.773 1.00 0.00 SOLV H ATOM 26289 OH2 TIP3 8087 45.702 8.047 57.610 1.00 0.00 SOLV O ATOM 26290 H1 TIP3 8087 45.721 8.385 56.690 1.00 0.00 SOLV H ATOM 26291 H2 TIP3 8087 46.661 7.900 57.763 1.00 0.00 SOLV H ATOM 26292 OH2 TIP3 8088 54.703 10.165 57.218 1.00 0.00 SOLV O ATOM 26293 H1 TIP3 8088 54.728 9.981 56.256 1.00 0.00 SOLV H ATOM 26294 H2 TIP3 8088 54.571 11.142 57.181 1.00 0.00 SOLV H ATOM 26295 OH2 TIP3 8089 45.555 18.735 58.848 1.00 0.00 SOLV O ATOM 26296 H1 TIP3 8089 46.488 18.450 58.814 1.00 0.00 SOLV H ATOM 26297 H2 TIP3 8089 45.575 19.449 58.183 1.00 0.00 SOLV H ATOM 26298 OH2 TIP3 8090 39.132 13.421 58.077 1.00 0.00 SOLV O ATOM 26299 H1 TIP3 8090 40.103 13.434 58.226 1.00 0.00 SOLV H ATOM 26300 H2 TIP3 8090 39.044 12.663 57.458 1.00 0.00 SOLV H ATOM 26301 OH2 TIP3 8091 38.016 18.631 63.359 1.00 0.00 SOLV O ATOM 26302 H1 TIP3 8091 37.451 18.249 62.652 1.00 0.00 SOLV H ATOM 26303 H2 TIP3 8091 38.196 17.821 63.887 1.00 0.00 SOLV H ATOM 26304 OH2 TIP3 8092 38.608 16.500 64.940 1.00 0.00 SOLV O ATOM 26305 H1 TIP3 8092 38.287 15.720 65.446 1.00 0.00 SOLV H ATOM 26306 H2 TIP3 8092 39.056 16.966 65.663 1.00 0.00 SOLV H ATOM 26307 OH2 TIP3 8093 56.296 17.340 68.411 1.00 0.00 SOLV O ATOM 26308 H1 TIP3 8093 56.435 17.901 69.213 1.00 0.00 SOLV H ATOM 26309 H2 TIP3 8093 57.065 17.634 67.900 1.00 0.00 SOLV H ATOM 26310 OH2 TIP3 8094 55.495 11.084 61.039 1.00 0.00 SOLV O ATOM 26311 H1 TIP3 8094 56.273 11.678 61.062 1.00 0.00 SOLV H ATOM 26312 H2 TIP3 8094 55.681 10.492 61.801 1.00 0.00 SOLV H ATOM 26313 OH2 TIP3 8095 55.991 9.133 62.925 1.00 0.00 SOLV O ATOM 26314 H1 TIP3 8095 55.123 8.809 63.250 1.00 0.00 SOLV H ATOM 26315 H2 TIP3 8095 56.506 9.248 63.751 1.00 0.00 SOLV H ATOM 26316 OH2 TIP3 8096 56.037 12.187 68.094 1.00 0.00 SOLV O ATOM 26317 H1 TIP3 8096 56.425 11.544 67.485 1.00 0.00 SOLV H ATOM 26318 H2 TIP3 8096 56.104 13.019 67.594 1.00 0.00 SOLV H ATOM 26319 OH2 TIP3 8097 56.182 9.114 59.255 1.00 0.00 SOLV O ATOM 26320 H1 TIP3 8097 55.659 9.383 58.465 1.00 0.00 SOLV H ATOM 26321 H2 TIP3 8097 55.880 9.800 59.887 1.00 0.00 SOLV H ATOM 26322 OH2 TIP3 8098 54.603 6.325 57.722 1.00 0.00 SOLV O ATOM 26323 H1 TIP3 8098 54.437 6.867 56.943 1.00 0.00 SOLV H ATOM 26324 H2 TIP3 8098 54.281 5.455 57.400 1.00 0.00 SOLV H ATOM 26325 OH2 TIP3 8099 53.557 7.963 63.498 1.00 0.00 SOLV O ATOM 26326 H1 TIP3 8099 53.523 7.047 63.173 1.00 0.00 SOLV H ATOM 26327 H2 TIP3 8099 53.134 7.891 64.382 1.00 0.00 SOLV H ATOM 26328 OH2 TIP3 8100 38.507 9.525 67.493 1.00 0.00 SOLV O ATOM 26329 H1 TIP3 8100 38.691 9.472 66.530 1.00 0.00 SOLV H ATOM 26330 H2 TIP3 8100 39.321 9.926 67.823 1.00 0.00 SOLV H ATOM 26331 OH2 TIP3 8101 53.709 3.929 56.811 1.00 0.00 SOLV O ATOM 26332 H1 TIP3 8101 54.315 3.459 57.421 1.00 0.00 SOLV H ATOM 26333 H2 TIP3 8101 52.993 3.296 56.669 1.00 0.00 SOLV H ATOM 26334 OH2 TIP3 8102 53.485 5.500 61.841 1.00 0.00 SOLV O ATOM 26335 H1 TIP3 8102 53.789 4.564 61.888 1.00 0.00 SOLV H ATOM 26336 H2 TIP3 8102 54.229 5.886 61.339 1.00 0.00 SOLV H ATOM 26337 OH2 TIP3 8103 53.909 5.649 67.197 1.00 0.00 SOLV O ATOM 26338 H1 TIP3 8103 54.815 6.005 67.304 1.00 0.00 SOLV H ATOM 26339 H2 TIP3 8103 53.810 5.054 67.973 1.00 0.00 SOLV H ATOM 26340 OH2 TIP3 8104 54.188 2.844 61.951 1.00 0.00 SOLV O ATOM 26341 H1 TIP3 8104 54.298 2.327 62.773 1.00 0.00 SOLV H ATOM 26342 H2 TIP3 8104 53.427 2.375 61.538 1.00 0.00 SOLV H ATOM 26343 OH2 TIP3 8105 39.478 3.431 66.418 1.00 0.00 SOLV O ATOM 26344 H1 TIP3 8105 39.829 2.544 66.619 1.00 0.00 SOLV H ATOM 26345 H2 TIP3 8105 40.269 3.981 66.605 1.00 0.00 SOLV H ATOM 26346 OH2 TIP3 8106 37.693 6.672 67.467 1.00 0.00 SOLV O ATOM 26347 H1 TIP3 8106 38.380 6.564 66.782 1.00 0.00 SOLV H ATOM 26348 H2 TIP3 8106 37.800 7.618 67.676 1.00 0.00 SOLV H ATOM 26349 OH2 TIP3 8107 55.649 2.917 58.495 1.00 0.00 SOLV O ATOM 26350 H1 TIP3 8107 56.074 2.224 57.937 1.00 0.00 SOLV H ATOM 26351 H2 TIP3 8107 56.424 3.387 58.864 1.00 0.00 SOLV H ATOM 26352 OH2 TIP3 8108 38.116 2.399 61.492 1.00 0.00 SOLV O ATOM 26353 H1 TIP3 8108 37.154 2.575 61.546 1.00 0.00 SOLV H ATOM 26354 H2 TIP3 8108 38.403 3.170 60.955 1.00 0.00 SOLV H ATOM 26355 OH2 TIP3 8109 52.846 17.712 63.550 1.00 0.00 SOLV O ATOM 26356 H1 TIP3 8109 53.641 17.722 62.979 1.00 0.00 SOLV H ATOM 26357 H2 TIP3 8109 53.195 18.049 64.396 1.00 0.00 SOLV H ATOM 26358 OH2 TIP3 8110 48.222 18.713 68.078 1.00 0.00 SOLV O ATOM 26359 H1 TIP3 8110 47.326 18.885 67.750 1.00 0.00 SOLV H ATOM 26360 H2 TIP3 8110 48.116 18.642 69.039 1.00 0.00 SOLV H ATOM 26361 OH2 TIP3 8111 40.110 17.604 67.264 1.00 0.00 SOLV O ATOM 26362 H1 TIP3 8111 40.441 17.628 68.194 1.00 0.00 SOLV H ATOM 26363 H2 TIP3 8111 40.793 17.018 66.866 1.00 0.00 SOLV H ATOM 26364 OH2 TIP3 8112 42.085 16.093 66.155 1.00 0.00 SOLV O ATOM 26365 H1 TIP3 8112 41.959 15.160 66.449 1.00 0.00 SOLV H ATOM 26366 H2 TIP3 8112 43.023 16.238 66.401 1.00 0.00 SOLV H ATOM 26367 OH2 TIP3 8113 44.808 16.306 67.002 1.00 0.00 SOLV O ATOM 26368 H1 TIP3 8113 44.978 15.415 66.649 1.00 0.00 SOLV H ATOM 26369 H2 TIP3 8113 45.089 16.174 67.918 1.00 0.00 SOLV H ATOM 26370 OH2 TIP3 8114 48.057 2.479 66.060 1.00 0.00 SOLV O ATOM 26371 H1 TIP3 8114 47.269 1.902 66.174 1.00 0.00 SOLV H ATOM 26372 H2 TIP3 8114 48.653 1.871 65.566 1.00 0.00 SOLV H ATOM 26373 OH2 TIP3 8115 53.578 1.448 66.259 1.00 0.00 SOLV O ATOM 26374 H1 TIP3 8115 54.313 1.559 65.629 1.00 0.00 SOLV H ATOM 26375 H2 TIP3 8115 53.092 0.716 65.829 1.00 0.00 SOLV H ATOM 26376 OH2 TIP3 8116 55.250 1.442 64.114 1.00 0.00 SOLV O ATOM 26377 H1 TIP3 8116 55.917 0.956 63.619 1.00 0.00 SOLV H ATOM 26378 H2 TIP3 8116 55.708 2.314 64.223 1.00 0.00 SOLV H ATOM 26379 OH2 TIP3 8117 40.808 0.784 63.654 1.00 0.00 SOLV O ATOM 26380 H1 TIP3 8117 40.091 0.918 63.016 1.00 0.00 SOLV H ATOM 26381 H2 TIP3 8117 41.051 -0.141 63.513 1.00 0.00 SOLV H ATOM 26382 OH2 TIP3 8118 39.652 0.824 59.813 1.00 0.00 SOLV O ATOM 26383 H1 TIP3 8118 39.951 1.473 59.149 1.00 0.00 SOLV H ATOM 26384 H2 TIP3 8118 39.041 1.362 60.358 1.00 0.00 SOLV H ATOM 26385 OH2 TIP3 8119 44.974 1.586 63.603 1.00 0.00 SOLV O ATOM 26386 H1 TIP3 8119 45.822 1.905 63.233 1.00 0.00 SOLV H ATOM 26387 H2 TIP3 8119 45.228 1.448 64.539 1.00 0.00 SOLV H ATOM 26388 OH2 TIP3 8120 49.918 0.978 64.685 1.00 0.00 SOLV O ATOM 26389 H1 TIP3 8120 50.436 1.536 64.094 1.00 0.00 SOLV H ATOM 26390 H2 TIP3 8120 50.605 0.364 65.028 1.00 0.00 SOLV H ATOM 26391 OH2 TIP3 8121 52.095 1.457 60.905 1.00 0.00 SOLV O ATOM 26392 H1 TIP3 8121 51.169 1.712 61.089 1.00 0.00 SOLV H ATOM 26393 H2 TIP3 8121 52.033 0.479 60.810 1.00 0.00 SOLV H ATOM 26394 OH2 TIP3 8122 39.403 16.942 60.421 1.00 0.00 SOLV O ATOM 26395 H1 TIP3 8122 38.608 16.836 59.864 1.00 0.00 SOLV H ATOM 26396 H2 TIP3 8122 39.570 17.895 60.269 1.00 0.00 SOLV H ATOM 26397 OH2 TIP3 8123 41.335 2.485 58.074 1.00 0.00 SOLV O ATOM 26398 H1 TIP3 8123 41.866 2.211 57.310 1.00 0.00 SOLV H ATOM 26399 H2 TIP3 8123 42.016 2.830 58.687 1.00 0.00 SOLV H ATOM 26400 OH2 TIP3 8124 46.138 3.021 60.522 1.00 0.00 SOLV O ATOM 26401 H1 TIP3 8124 46.525 2.369 61.139 1.00 0.00 SOLV H ATOM 26402 H2 TIP3 8124 46.378 3.839 61.014 1.00 0.00 SOLV H ATOM 26403 OH2 TIP3 8125 48.139 17.814 58.790 1.00 0.00 SOLV O ATOM 26404 H1 TIP3 8125 49.105 17.954 58.698 1.00 0.00 SOLV H ATOM 26405 H2 TIP3 8125 47.987 17.257 57.991 1.00 0.00 SOLV H ATOM 26406 OH2 TIP3 8126 54.950 17.554 61.725 1.00 0.00 SOLV O ATOM 26407 H1 TIP3 8126 54.756 16.644 61.396 1.00 0.00 SOLV H ATOM 26408 H2 TIP3 8126 54.733 18.080 60.928 1.00 0.00 SOLV H ATOM 26409 OH2 TIP3 8127 41.140 17.535 57.246 1.00 0.00 SOLV O ATOM 26410 H1 TIP3 8127 40.963 17.452 58.193 1.00 0.00 SOLV H ATOM 26411 H2 TIP3 8127 41.947 16.975 57.142 1.00 0.00 SOLV H ATOM 26412 OH2 TIP3 8128 68.257 9.738 63.312 1.00 0.00 SOLV O ATOM 26413 H1 TIP3 8128 68.523 10.617 63.629 1.00 0.00 SOLV H ATOM 26414 H2 TIP3 8128 67.543 9.995 62.723 1.00 0.00 SOLV H ATOM 26415 OH2 TIP3 8129 66.947 9.551 67.038 1.00 0.00 SOLV O ATOM 26416 H1 TIP3 8129 67.664 9.092 67.504 1.00 0.00 SOLV H ATOM 26417 H2 TIP3 8129 67.006 9.148 66.167 1.00 0.00 SOLV H ATOM 26418 OH2 TIP3 8130 60.708 13.458 66.933 1.00 0.00 SOLV O ATOM 26419 H1 TIP3 8130 60.502 12.518 66.767 1.00 0.00 SOLV H ATOM 26420 H2 TIP3 8130 61.684 13.416 66.995 1.00 0.00 SOLV H ATOM 26421 OH2 TIP3 8131 57.468 6.739 62.297 1.00 0.00 SOLV O ATOM 26422 H1 TIP3 8131 57.100 7.581 62.620 1.00 0.00 SOLV H ATOM 26423 H2 TIP3 8131 56.870 6.581 61.541 1.00 0.00 SOLV H ATOM 26424 OH2 TIP3 8132 57.973 9.121 64.851 1.00 0.00 SOLV O ATOM 26425 H1 TIP3 8132 58.251 8.207 65.079 1.00 0.00 SOLV H ATOM 26426 H2 TIP3 8132 58.820 9.563 64.703 1.00 0.00 SOLV H ATOM 26427 OH2 TIP3 8133 67.515 17.118 65.678 1.00 0.00 SOLV O ATOM 26428 H1 TIP3 8133 68.464 17.108 65.446 1.00 0.00 SOLV H ATOM 26429 H2 TIP3 8133 67.489 17.697 66.455 1.00 0.00 SOLV H ATOM 26430 OH2 TIP3 8134 65.340 11.737 67.712 1.00 0.00 SOLV O ATOM 26431 H1 TIP3 8134 65.701 10.890 67.368 1.00 0.00 SOLV H ATOM 26432 H2 TIP3 8134 66.144 12.016 68.209 1.00 0.00 SOLV H ATOM 26433 OH2 TIP3 8135 68.768 5.219 68.629 1.00 0.00 SOLV O ATOM 26434 H1 TIP3 8135 68.819 4.455 68.037 1.00 0.00 SOLV H ATOM 26435 H2 TIP3 8135 68.841 5.971 68.009 1.00 0.00 SOLV H ATOM 26436 OH2 TIP3 8136 62.378 4.173 65.080 1.00 0.00 SOLV O ATOM 26437 H1 TIP3 8136 62.499 5.049 64.653 1.00 0.00 SOLV H ATOM 26438 H2 TIP3 8136 61.935 3.693 64.351 1.00 0.00 SOLV H ATOM 26439 OH2 TIP3 8137 58.738 6.634 65.701 1.00 0.00 SOLV O ATOM 26440 H1 TIP3 8137 59.376 6.159 66.273 1.00 0.00 SOLV H ATOM 26441 H2 TIP3 8137 59.019 6.270 64.833 1.00 0.00 SOLV H ATOM 26442 OH2 TIP3 8138 63.793 8.101 65.238 1.00 0.00 SOLV O ATOM 26443 H1 TIP3 8138 64.545 7.575 65.604 1.00 0.00 SOLV H ATOM 26444 H2 TIP3 8138 63.361 7.423 64.674 1.00 0.00 SOLV H ATOM 26445 OH2 TIP3 8139 67.956 12.687 62.670 1.00 0.00 SOLV O ATOM 26446 H1 TIP3 8139 67.952 12.910 61.727 1.00 0.00 SOLV H ATOM 26447 H2 TIP3 8139 67.756 13.556 63.069 1.00 0.00 SOLV H ATOM 26448 OH2 TIP3 8140 60.474 4.850 66.858 1.00 0.00 SOLV O ATOM 26449 H1 TIP3 8140 61.034 5.315 67.520 1.00 0.00 SOLV H ATOM 26450 H2 TIP3 8140 61.182 4.533 66.253 1.00 0.00 SOLV H ATOM 26451 OH2 TIP3 8141 57.872 12.624 60.859 1.00 0.00 SOLV O ATOM 26452 H1 TIP3 8141 57.759 13.138 60.039 1.00 0.00 SOLV H ATOM 26453 H2 TIP3 8141 58.188 13.323 61.474 1.00 0.00 SOLV H ATOM 26454 OH2 TIP3 8142 64.550 0.822 66.216 1.00 0.00 SOLV O ATOM 26455 H1 TIP3 8142 64.957 0.144 66.800 1.00 0.00 SOLV H ATOM 26456 H2 TIP3 8142 63.724 1.000 66.720 1.00 0.00 SOLV H ATOM 26457 OH2 TIP3 8143 67.339 9.444 60.459 1.00 0.00 SOLV O ATOM 26458 H1 TIP3 8143 66.501 9.953 60.456 1.00 0.00 SOLV H ATOM 26459 H2 TIP3 8143 67.973 10.171 60.540 1.00 0.00 SOLV H ATOM 26460 OH2 TIP3 8144 67.087 7.791 57.863 1.00 0.00 SOLV O ATOM 26461 H1 TIP3 8144 67.283 8.064 58.774 1.00 0.00 SOLV H ATOM 26462 H2 TIP3 8144 67.544 6.941 57.770 1.00 0.00 SOLV H ATOM 26463 OH2 TIP3 8145 62.242 10.088 64.113 1.00 0.00 SOLV O ATOM 26464 H1 TIP3 8145 62.004 9.748 63.225 1.00 0.00 SOLV H ATOM 26465 H2 TIP3 8145 62.839 9.383 64.448 1.00 0.00 SOLV H ATOM 26466 OH2 TIP3 8146 63.447 13.568 66.416 1.00 0.00 SOLV O ATOM 26467 H1 TIP3 8146 63.600 13.677 65.457 1.00 0.00 SOLV H ATOM 26468 H2 TIP3 8146 64.126 12.919 66.688 1.00 0.00 SOLV H ATOM 26469 OH2 TIP3 8147 62.552 8.943 67.535 1.00 0.00 SOLV O ATOM 26470 H1 TIP3 8147 63.094 8.786 66.729 1.00 0.00 SOLV H ATOM 26471 H2 TIP3 8147 62.937 9.753 67.909 1.00 0.00 SOLV H ATOM 26472 OH2 TIP3 8148 68.572 14.993 69.100 1.00 0.00 SOLV O ATOM 26473 H1 TIP3 8148 68.460 14.983 68.113 1.00 0.00 SOLV H ATOM 26474 H2 TIP3 8148 69.183 14.230 69.260 1.00 0.00 SOLV H ATOM 26475 OH2 TIP3 8149 67.462 15.443 63.319 1.00 0.00 SOLV O ATOM 26476 H1 TIP3 8149 67.318 15.902 64.168 1.00 0.00 SOLV H ATOM 26477 H2 TIP3 8149 67.257 16.159 62.692 1.00 0.00 SOLV H ATOM 26478 OH2 TIP3 8150 61.398 9.276 61.499 1.00 0.00 SOLV O ATOM 26479 H1 TIP3 8150 60.860 9.924 60.995 1.00 0.00 SOLV H ATOM 26480 H2 TIP3 8150 60.897 8.463 61.369 1.00 0.00 SOLV H ATOM 26481 OH2 TIP3 8151 57.198 14.675 67.089 1.00 0.00 SOLV O ATOM 26482 H1 TIP3 8151 58.107 14.503 67.372 1.00 0.00 SOLV H ATOM 26483 H2 TIP3 8151 56.889 15.331 67.735 1.00 0.00 SOLV H ATOM 26484 OH2 TIP3 8152 66.854 18.159 61.700 1.00 0.00 SOLV O ATOM 26485 H1 TIP3 8152 66.763 18.314 60.750 1.00 0.00 SOLV H ATOM 26486 H2 TIP3 8152 66.734 19.044 62.081 1.00 0.00 SOLV H ATOM 26487 OH2 TIP3 8153 60.353 17.085 63.641 1.00 0.00 SOLV O ATOM 26488 H1 TIP3 8153 60.552 16.772 64.552 1.00 0.00 SOLV H ATOM 26489 H2 TIP3 8153 59.780 16.370 63.318 1.00 0.00 SOLV H ATOM 26490 OH2 TIP3 8154 62.348 1.319 67.797 1.00 0.00 SOLV O ATOM 26491 H1 TIP3 8154 61.493 1.499 67.363 1.00 0.00 SOLV H ATOM 26492 H2 TIP3 8154 62.519 2.179 68.255 1.00 0.00 SOLV H ATOM 26493 OH2 TIP3 8155 66.653 3.494 58.347 1.00 0.00 SOLV O ATOM 26494 H1 TIP3 8155 66.022 3.253 59.049 1.00 0.00 SOLV H ATOM 26495 H2 TIP3 8155 66.311 2.957 57.605 1.00 0.00 SOLV H ATOM 26496 OH2 TIP3 8156 62.166 6.302 68.376 1.00 0.00 SOLV O ATOM 26497 H1 TIP3 8156 61.977 6.483 69.319 1.00 0.00 SOLV H ATOM 26498 H2 TIP3 8156 62.271 7.210 68.023 1.00 0.00 SOLV H ATOM 26499 OH2 TIP3 8157 62.314 6.465 63.622 1.00 0.00 SOLV O ATOM 26500 H1 TIP3 8157 61.341 6.355 63.583 1.00 0.00 SOLV H ATOM 26501 H2 TIP3 8157 62.541 6.210 62.700 1.00 0.00 SOLV H ATOM 26502 OH2 TIP3 8158 67.517 6.892 61.888 1.00 0.00 SOLV O ATOM 26503 H1 TIP3 8158 67.137 7.702 62.262 1.00 0.00 SOLV H ATOM 26504 H2 TIP3 8158 67.735 7.196 60.997 1.00 0.00 SOLV H ATOM 26505 OH2 TIP3 8159 68.036 6.035 64.932 1.00 0.00 SOLV O ATOM 26506 H1 TIP3 8159 68.621 6.756 64.678 1.00 0.00 SOLV H ATOM 26507 H2 TIP3 8159 68.540 5.260 64.609 1.00 0.00 SOLV H ATOM 26508 OH2 TIP3 8160 63.326 3.825 56.995 1.00 0.00 SOLV O ATOM 26509 H1 TIP3 8160 62.953 3.730 57.896 1.00 0.00 SOLV H ATOM 26510 H2 TIP3 8160 62.792 4.581 56.670 1.00 0.00 SOLV H ATOM 26511 OH2 TIP3 8161 56.701 3.659 64.260 1.00 0.00 SOLV O ATOM 26512 H1 TIP3 8161 57.254 3.746 65.063 1.00 0.00 SOLV H ATOM 26513 H2 TIP3 8161 57.303 3.919 63.554 1.00 0.00 SOLV H ATOM 26514 OH2 TIP3 8162 57.605 4.422 59.802 1.00 0.00 SOLV O ATOM 26515 H1 TIP3 8162 58.269 4.804 59.188 1.00 0.00 SOLV H ATOM 26516 H2 TIP3 8162 57.041 5.209 59.922 1.00 0.00 SOLV H ATOM 26517 OH2 TIP3 8163 65.049 4.168 64.572 1.00 0.00 SOLV O ATOM 26518 H1 TIP3 8163 64.175 4.088 64.999 1.00 0.00 SOLV H ATOM 26519 H2 TIP3 8163 65.647 3.822 65.264 1.00 0.00 SOLV H ATOM 26520 OH2 TIP3 8164 59.719 5.642 63.346 1.00 0.00 SOLV O ATOM 26521 H1 TIP3 8164 58.951 5.955 62.810 1.00 0.00 SOLV H ATOM 26522 H2 TIP3 8164 59.974 4.808 62.907 1.00 0.00 SOLV H ATOM 26523 OH2 TIP3 8165 62.755 5.601 61.078 1.00 0.00 SOLV O ATOM 26524 H1 TIP3 8165 63.725 5.539 61.212 1.00 0.00 SOLV H ATOM 26525 H2 TIP3 8165 62.680 6.077 60.217 1.00 0.00 SOLV H ATOM 26526 OH2 TIP3 8166 62.427 6.728 58.633 1.00 0.00 SOLV O ATOM 26527 H1 TIP3 8166 61.878 6.482 57.864 1.00 0.00 SOLV H ATOM 26528 H2 TIP3 8166 63.166 7.181 58.174 1.00 0.00 SOLV H ATOM 26529 OH2 TIP3 8167 65.762 6.595 66.304 1.00 0.00 SOLV O ATOM 26530 H1 TIP3 8167 66.515 6.356 65.716 1.00 0.00 SOLV H ATOM 26531 H2 TIP3 8167 66.077 6.254 67.146 1.00 0.00 SOLV H ATOM 26532 OH2 TIP3 8168 61.046 3.063 62.953 1.00 0.00 SOLV O ATOM 26533 H1 TIP3 8168 60.585 2.255 63.254 1.00 0.00 SOLV H ATOM 26534 H2 TIP3 8168 61.827 2.687 62.520 1.00 0.00 SOLV H ATOM 26535 OH2 TIP3 8169 65.275 11.277 60.542 1.00 0.00 SOLV O ATOM 26536 H1 TIP3 8169 64.498 10.868 60.097 1.00 0.00 SOLV H ATOM 26537 H2 TIP3 8169 64.881 11.486 61.428 1.00 0.00 SOLV H ATOM 26538 OH2 TIP3 8170 60.618 10.649 66.292 1.00 0.00 SOLV O ATOM 26539 H1 TIP3 8170 61.145 10.562 65.472 1.00 0.00 SOLV H ATOM 26540 H2 TIP3 8170 61.141 10.099 66.903 1.00 0.00 SOLV H ATOM 26541 OH2 TIP3 8171 67.454 12.801 59.774 1.00 0.00 SOLV O ATOM 26542 H1 TIP3 8171 67.087 13.717 59.786 1.00 0.00 SOLV H ATOM 26543 H2 TIP3 8171 66.656 12.286 60.020 1.00 0.00 SOLV H ATOM 26544 OH2 TIP3 8172 63.059 14.311 63.685 1.00 0.00 SOLV O ATOM 26545 H1 TIP3 8172 63.254 15.207 63.346 1.00 0.00 SOLV H ATOM 26546 H2 TIP3 8172 62.094 14.320 63.689 1.00 0.00 SOLV H ATOM 26547 OH2 TIP3 8173 58.778 8.926 58.357 1.00 0.00 SOLV O ATOM 26548 H1 TIP3 8173 59.228 9.638 58.861 1.00 0.00 SOLV H ATOM 26549 H2 TIP3 8173 57.866 9.001 58.719 1.00 0.00 SOLV H ATOM 26550 OH2 TIP3 8174 64.009 11.852 62.849 1.00 0.00 SOLV O ATOM 26551 H1 TIP3 8174 63.781 12.752 63.158 1.00 0.00 SOLV H ATOM 26552 H2 TIP3 8174 63.427 11.305 63.411 1.00 0.00 SOLV H ATOM 26553 OH2 TIP3 8175 62.949 17.031 62.667 1.00 0.00 SOLV O ATOM 26554 H1 TIP3 8175 62.022 17.196 62.938 1.00 0.00 SOLV H ATOM 26555 H2 TIP3 8175 63.378 17.852 62.997 1.00 0.00 SOLV H ATOM 26556 OH2 TIP3 8176 64.483 14.343 56.866 1.00 0.00 SOLV O ATOM 26557 H1 TIP3 8176 64.694 13.480 56.466 1.00 0.00 SOLV H ATOM 26558 H2 TIP3 8176 64.066 14.061 57.707 1.00 0.00 SOLV H ATOM 26559 OH2 TIP3 8177 63.337 13.829 59.324 1.00 0.00 SOLV O ATOM 26560 H1 TIP3 8177 63.867 13.324 59.956 1.00 0.00 SOLV H ATOM 26561 H2 TIP3 8177 63.458 14.749 59.656 1.00 0.00 SOLV H ATOM 26562 OH2 TIP3 8178 59.829 10.954 59.907 1.00 0.00 SOLV O ATOM 26563 H1 TIP3 8178 59.098 11.424 60.366 1.00 0.00 SOLV H ATOM 26564 H2 TIP3 8178 60.224 11.705 59.421 1.00 0.00 SOLV H ATOM 26565 OH2 TIP3 8179 68.041 3.708 61.340 1.00 0.00 SOLV O ATOM 26566 H1 TIP3 8179 68.200 3.925 60.409 1.00 0.00 SOLV H ATOM 26567 H2 TIP3 8179 68.503 4.429 61.792 1.00 0.00 SOLV H ATOM 26568 OH2 TIP3 8180 66.385 15.290 59.924 1.00 0.00 SOLV O ATOM 26569 H1 TIP3 8180 65.455 15.545 60.087 1.00 0.00 SOLV H ATOM 26570 H2 TIP3 8180 66.774 16.172 59.812 1.00 0.00 SOLV H ATOM 26571 OH2 TIP3 8181 65.291 5.174 62.054 1.00 0.00 SOLV O ATOM 26572 H1 TIP3 8181 66.118 5.691 62.130 1.00 0.00 SOLV H ATOM 26573 H2 TIP3 8181 65.187 4.860 62.985 1.00 0.00 SOLV H ATOM 26574 OH2 TIP3 8182 66.382 2.312 62.876 1.00 0.00 SOLV O ATOM 26575 H1 TIP3 8182 66.479 2.798 63.720 1.00 0.00 SOLV H ATOM 26576 H2 TIP3 8182 66.967 2.853 62.298 1.00 0.00 SOLV H ATOM 26577 OH2 TIP3 8183 63.874 16.345 60.190 1.00 0.00 SOLV O ATOM 26578 H1 TIP3 8183 63.868 17.213 59.727 1.00 0.00 SOLV H ATOM 26579 H2 TIP3 8183 63.553 16.611 61.083 1.00 0.00 SOLV H ATOM 26580 OH2 TIP3 8184 62.384 3.345 59.550 1.00 0.00 SOLV O ATOM 26581 H1 TIP3 8184 62.282 4.115 60.148 1.00 0.00 SOLV H ATOM 26582 H2 TIP3 8184 63.275 3.039 59.831 1.00 0.00 SOLV H ATOM 26583 OH2 TIP3 8185 60.699 13.223 58.487 1.00 0.00 SOLV O ATOM 26584 H1 TIP3 8185 61.482 13.643 58.898 1.00 0.00 SOLV H ATOM 26585 H2 TIP3 8185 61.160 12.688 57.804 1.00 0.00 SOLV H ATOM 26586 OH2 TIP3 8186 58.663 6.195 58.002 1.00 0.00 SOLV O ATOM 26587 H1 TIP3 8186 58.864 7.126 58.221 1.00 0.00 SOLV H ATOM 26588 H2 TIP3 8186 58.179 6.290 57.174 1.00 0.00 SOLV H ATOM 26589 OH2 TIP3 8187 59.798 0.986 66.442 1.00 0.00 SOLV O ATOM 26590 H1 TIP3 8187 59.743 1.001 65.467 1.00 0.00 SOLV H ATOM 26591 H2 TIP3 8187 60.021 0.040 66.582 1.00 0.00 SOLV H ATOM 26592 OH2 TIP3 8188 58.538 14.912 62.261 1.00 0.00 SOLV O ATOM 26593 H1 TIP3 8188 57.930 15.178 62.965 1.00 0.00 SOLV H ATOM 26594 H2 TIP3 8188 58.408 15.620 61.586 1.00 0.00 SOLV H ATOM 26595 OH2 TIP3 8189 66.856 15.722 56.812 1.00 0.00 SOLV O ATOM 26596 H1 TIP3 8189 65.960 15.325 56.897 1.00 0.00 SOLV H ATOM 26597 H2 TIP3 8189 67.371 14.887 56.843 1.00 0.00 SOLV H ATOM 26598 OH2 TIP3 8190 62.136 11.481 57.029 1.00 0.00 SOLV O ATOM 26599 H1 TIP3 8190 62.455 10.986 57.808 1.00 0.00 SOLV H ATOM 26600 H2 TIP3 8190 62.977 11.566 56.528 1.00 0.00 SOLV H ATOM 26601 OH2 TIP3 8191 67.538 12.981 56.914 1.00 0.00 SOLV O ATOM 26602 H1 TIP3 8191 67.719 12.886 57.868 1.00 0.00 SOLV H ATOM 26603 H2 TIP3 8191 67.395 12.051 56.661 1.00 0.00 SOLV H ATOM 26604 OH2 TIP3 8192 63.243 9.919 59.300 1.00 0.00 SOLV O ATOM 26605 H1 TIP3 8192 62.709 9.437 59.957 1.00 0.00 SOLV H ATOM 26606 H2 TIP3 8192 63.628 9.193 58.763 1.00 0.00 SOLV H ATOM 26607 OH2 TIP3 8193 64.448 8.156 57.530 1.00 0.00 SOLV O ATOM 26608 H1 TIP3 8193 64.464 8.418 56.585 1.00 0.00 SOLV H ATOM 26609 H2 TIP3 8193 65.400 7.941 57.651 1.00 0.00 SOLV H ATOM 26610 OH2 TIP3 8194 64.456 18.725 58.829 1.00 0.00 SOLV O ATOM 26611 H1 TIP3 8194 65.370 18.395 58.769 1.00 0.00 SOLV H ATOM 26612 H2 TIP3 8194 64.485 19.453 58.183 1.00 0.00 SOLV H ATOM 26613 OH2 TIP3 8195 57.997 13.430 58.052 1.00 0.00 SOLV O ATOM 26614 H1 TIP3 8195 58.965 13.439 58.219 1.00 0.00 SOLV H ATOM 26615 H2 TIP3 8195 57.914 12.659 57.450 1.00 0.00 SOLV H ATOM 26616 OH2 TIP3 8196 56.898 18.597 63.368 1.00 0.00 SOLV O ATOM 26617 H1 TIP3 8196 56.303 18.236 62.675 1.00 0.00 SOLV H ATOM 26618 H2 TIP3 8196 57.062 17.789 63.899 1.00 0.00 SOLV H ATOM 26619 OH2 TIP3 8197 57.485 16.416 64.951 1.00 0.00 SOLV O ATOM 26620 H1 TIP3 8197 57.109 15.696 65.497 1.00 0.00 SOLV H ATOM 26621 H2 TIP3 8197 57.971 16.897 65.650 1.00 0.00 SOLV H ATOM 26622 OH2 TIP3 8198 57.334 9.553 67.487 1.00 0.00 SOLV O ATOM 26623 H1 TIP3 8198 57.573 9.513 66.539 1.00 0.00 SOLV H ATOM 26624 H2 TIP3 8198 58.176 9.805 67.895 1.00 0.00 SOLV H ATOM 26625 OH2 TIP3 8199 58.253 3.366 66.502 1.00 0.00 SOLV O ATOM 26626 H1 TIP3 8199 58.704 2.504 66.602 1.00 0.00 SOLV H ATOM 26627 H2 TIP3 8199 59.015 3.974 66.645 1.00 0.00 SOLV H ATOM 26628 OH2 TIP3 8200 56.531 6.674 67.478 1.00 0.00 SOLV O ATOM 26629 H1 TIP3 8200 57.234 6.557 66.807 1.00 0.00 SOLV H ATOM 26630 H2 TIP3 8200 56.675 7.608 67.714 1.00 0.00 SOLV H ATOM 26631 OH2 TIP3 8201 56.971 2.372 61.478 1.00 0.00 SOLV O ATOM 26632 H1 TIP3 8201 56.018 2.578 61.553 1.00 0.00 SOLV H ATOM 26633 H2 TIP3 8201 57.276 3.153 60.963 1.00 0.00 SOLV H ATOM 26634 OH2 TIP3 8202 67.154 18.882 67.844 1.00 0.00 SOLV O ATOM 26635 H1 TIP3 8202 66.211 18.929 67.579 1.00 0.00 SOLV H ATOM 26636 H2 TIP3 8202 67.085 18.818 68.808 1.00 0.00 SOLV H ATOM 26637 OH2 TIP3 8203 58.950 17.488 67.111 1.00 0.00 SOLV O ATOM 26638 H1 TIP3 8203 59.273 17.518 68.047 1.00 0.00 SOLV H ATOM 26639 H2 TIP3 8203 59.685 16.954 66.735 1.00 0.00 SOLV H ATOM 26640 OH2 TIP3 8204 60.998 16.040 66.070 1.00 0.00 SOLV O ATOM 26641 H1 TIP3 8204 60.856 15.124 66.406 1.00 0.00 SOLV H ATOM 26642 H2 TIP3 8204 61.911 16.214 66.384 1.00 0.00 SOLV H ATOM 26643 OH2 TIP3 8205 63.633 16.335 66.999 1.00 0.00 SOLV O ATOM 26644 H1 TIP3 8205 63.786 15.396 66.774 1.00 0.00 SOLV H ATOM 26645 H2 TIP3 8205 63.790 16.307 67.952 1.00 0.00 SOLV H ATOM 26646 OH2 TIP3 8206 66.721 2.429 65.835 1.00 0.00 SOLV O ATOM 26647 H1 TIP3 8206 65.965 1.821 65.974 1.00 0.00 SOLV H ATOM 26648 H2 TIP3 8206 67.478 1.836 65.856 1.00 0.00 SOLV H ATOM 26649 OH2 TIP3 8207 59.646 0.782 63.630 1.00 0.00 SOLV O ATOM 26650 H1 TIP3 8207 58.976 0.958 62.953 1.00 0.00 SOLV H ATOM 26651 H2 TIP3 8207 59.950 -0.106 63.404 1.00 0.00 SOLV H ATOM 26652 OH2 TIP3 8208 58.568 0.841 59.808 1.00 0.00 SOLV O ATOM 26653 H1 TIP3 8208 58.899 1.517 59.180 1.00 0.00 SOLV H ATOM 26654 H2 TIP3 8208 57.950 1.369 60.353 1.00 0.00 SOLV H ATOM 26655 OH2 TIP3 8209 63.812 1.516 63.564 1.00 0.00 SOLV O ATOM 26656 H1 TIP3 8209 64.590 2.026 63.260 1.00 0.00 SOLV H ATOM 26657 H2 TIP3 8209 64.042 1.388 64.506 1.00 0.00 SOLV H ATOM 26658 OH2 TIP3 8210 58.264 16.919 60.431 1.00 0.00 SOLV O ATOM 26659 H1 TIP3 8210 57.473 16.843 59.865 1.00 0.00 SOLV H ATOM 26660 H2 TIP3 8210 58.422 17.881 60.353 1.00 0.00 SOLV H ATOM 26661 OH2 TIP3 8211 60.057 2.591 58.138 1.00 0.00 SOLV O ATOM 26662 H1 TIP3 8211 60.537 2.072 57.460 1.00 0.00 SOLV H ATOM 26663 H2 TIP3 8211 60.802 2.882 58.706 1.00 0.00 SOLV H ATOM 26664 OH2 TIP3 8212 64.960 2.910 60.467 1.00 0.00 SOLV O ATOM 26665 H1 TIP3 8212 65.398 2.232 61.009 1.00 0.00 SOLV H ATOM 26666 H2 TIP3 8212 65.160 3.709 61.003 1.00 0.00 SOLV H ATOM 26667 OH2 TIP3 8213 67.077 17.809 58.708 1.00 0.00 SOLV O ATOM 26668 H1 TIP3 8213 67.852 18.329 58.462 1.00 0.00 SOLV H ATOM 26669 H2 TIP3 8213 67.055 17.126 57.999 1.00 0.00 SOLV H ATOM 26670 OH2 TIP3 8214 59.996 17.544 57.256 1.00 0.00 SOLV O ATOM 26671 H1 TIP3 8214 59.784 17.437 58.194 1.00 0.00 SOLV H ATOM 26672 H2 TIP3 8214 60.807 16.989 57.167 1.00 0.00 SOLV H ATOM 26673 OH2 TIP3 8215 12.096 28.997 63.375 1.00 0.00 SOLV O ATOM 26674 H1 TIP3 8215 12.057 29.975 63.364 1.00 0.00 SOLV H ATOM 26675 H2 TIP3 8215 11.169 28.767 63.257 1.00 0.00 SOLV H ATOM 26676 OH2 TIP3 8216 10.904 28.145 67.281 1.00 0.00 SOLV O ATOM 26677 H1 TIP3 8216 10.939 27.595 68.081 1.00 0.00 SOLV H ATOM 26678 H2 TIP3 8216 10.435 27.550 66.672 1.00 0.00 SOLV H ATOM 26679 OH2 TIP3 8217 14.631 31.022 65.409 1.00 0.00 SOLV O ATOM 26680 H1 TIP3 8217 14.262 30.359 66.015 1.00 0.00 SOLV H ATOM 26681 H2 TIP3 8217 14.779 31.774 66.026 1.00 0.00 SOLV H ATOM 26682 OH2 TIP3 8218 4.154 32.349 66.953 1.00 0.00 SOLV O ATOM 26683 H1 TIP3 8218 4.113 31.379 66.801 1.00 0.00 SOLV H ATOM 26684 H2 TIP3 8218 5.102 32.410 67.163 1.00 0.00 SOLV H ATOM 26685 OH2 TIP3 8219 1.203 26.049 62.557 1.00 0.00 SOLV O ATOM 26686 H1 TIP3 8219 1.105 26.991 62.738 1.00 0.00 SOLV H ATOM 26687 H2 TIP3 8219 0.262 25.788 62.525 1.00 0.00 SOLV H ATOM 26688 OH2 TIP3 8220 2.385 28.270 65.344 1.00 0.00 SOLV O ATOM 26689 H1 TIP3 8220 2.405 27.292 65.448 1.00 0.00 SOLV H ATOM 26690 H2 TIP3 8220 2.219 28.363 64.400 1.00 0.00 SOLV H ATOM 26691 OH2 TIP3 8221 11.792 36.436 65.749 1.00 0.00 SOLV O ATOM 26692 H1 TIP3 8221 12.157 35.558 65.543 1.00 0.00 SOLV H ATOM 26693 H2 TIP3 8221 11.486 36.357 66.667 1.00 0.00 SOLV H ATOM 26694 OH2 TIP3 8222 8.981 30.797 67.587 1.00 0.00 SOLV O ATOM 26695 H1 TIP3 8222 9.335 29.964 67.238 1.00 0.00 SOLV H ATOM 26696 H2 TIP3 8222 9.748 31.081 68.129 1.00 0.00 SOLV H ATOM 26697 OH2 TIP3 8223 18.613 22.116 68.441 1.00 0.00 SOLV O ATOM 26698 H1 TIP3 8223 17.995 22.798 68.159 1.00 0.00 SOLV H ATOM 26699 H2 TIP3 8223 19.266 22.122 67.713 1.00 0.00 SOLV H ATOM 26700 OH2 TIP3 8224 11.990 25.127 67.917 1.00 0.00 SOLV O ATOM 26701 H1 TIP3 8224 12.225 24.182 68.037 1.00 0.00 SOLV H ATOM 26702 H2 TIP3 8224 12.098 25.211 66.956 1.00 0.00 SOLV H ATOM 26703 OH2 TIP3 8225 5.876 23.011 65.009 1.00 0.00 SOLV O ATOM 26704 H1 TIP3 8225 5.953 23.879 64.563 1.00 0.00 SOLV H ATOM 26705 H2 TIP3 8225 5.414 22.494 64.317 1.00 0.00 SOLV H ATOM 26706 OH2 TIP3 8226 13.533 23.389 63.296 1.00 0.00 SOLV O ATOM 26707 H1 TIP3 8226 13.910 22.960 64.102 1.00 0.00 SOLV H ATOM 26708 H2 TIP3 8226 14.363 23.683 62.879 1.00 0.00 SOLV H ATOM 26709 OH2 TIP3 8227 2.437 25.533 65.603 1.00 0.00 SOLV O ATOM 26710 H1 TIP3 8227 2.862 24.914 66.227 1.00 0.00 SOLV H ATOM 26711 H2 TIP3 8227 2.711 25.118 64.760 1.00 0.00 SOLV H ATOM 26712 OH2 TIP3 8228 7.261 26.978 65.215 1.00 0.00 SOLV O ATOM 26713 H1 TIP3 8228 8.081 26.523 65.507 1.00 0.00 SOLV H ATOM 26714 H2 TIP3 8228 6.857 26.294 64.631 1.00 0.00 SOLV H ATOM 26715 OH2 TIP3 8229 11.773 31.639 62.488 1.00 0.00 SOLV O ATOM 26716 H1 TIP3 8229 11.531 31.772 61.556 1.00 0.00 SOLV H ATOM 26717 H2 TIP3 8229 11.294 32.399 62.897 1.00 0.00 SOLV H ATOM 26718 OH2 TIP3 8230 14.856 22.711 65.520 1.00 0.00 SOLV O ATOM 26719 H1 TIP3 8230 14.577 22.046 66.162 1.00 0.00 SOLV H ATOM 26720 H2 TIP3 8230 15.432 23.286 66.061 1.00 0.00 SOLV H ATOM 26721 OH2 TIP3 8231 3.948 23.590 66.917 1.00 0.00 SOLV O ATOM 26722 H1 TIP3 8231 4.505 23.904 67.660 1.00 0.00 SOLV H ATOM 26723 H2 TIP3 8231 4.645 23.265 66.305 1.00 0.00 SOLV H ATOM 26724 OH2 TIP3 8232 1.496 31.347 60.734 1.00 0.00 SOLV O ATOM 26725 H1 TIP3 8232 0.768 31.797 60.280 1.00 0.00 SOLV H ATOM 26726 H2 TIP3 8232 1.612 31.903 61.521 1.00 0.00 SOLV H ATOM 26727 OH2 TIP3 8233 14.845 33.102 67.132 1.00 0.00 SOLV O ATOM 26728 H1 TIP3 8233 13.968 33.314 67.496 1.00 0.00 SOLV H ATOM 26729 H2 TIP3 8233 15.299 33.966 67.218 1.00 0.00 SOLV H ATOM 26730 OH2 TIP3 8234 8.076 19.085 66.498 1.00 0.00 SOLV O ATOM 26731 H1 TIP3 8234 7.737 18.169 66.515 1.00 0.00 SOLV H ATOM 26732 H2 TIP3 8234 7.299 19.569 66.868 1.00 0.00 SOLV H ATOM 26733 OH2 TIP3 8235 13.245 34.709 63.919 1.00 0.00 SOLV O ATOM 26734 H1 TIP3 8235 13.742 33.887 63.716 1.00 0.00 SOLV H ATOM 26735 H2 TIP3 8235 13.981 35.360 63.936 1.00 0.00 SOLV H ATOM 26736 OH2 TIP3 8236 14.405 32.384 63.027 1.00 0.00 SOLV O ATOM 26737 H1 TIP3 8236 13.512 32.027 62.851 1.00 0.00 SOLV H ATOM 26738 H2 TIP3 8236 14.666 31.855 63.811 1.00 0.00 SOLV H ATOM 26739 OH2 TIP3 8237 10.761 28.063 60.822 1.00 0.00 SOLV O ATOM 26740 H1 TIP3 8237 9.952 28.616 60.805 1.00 0.00 SOLV H ATOM 26741 H2 TIP3 8237 11.434 28.752 60.742 1.00 0.00 SOLV H ATOM 26742 OH2 TIP3 8238 10.719 26.741 57.873 1.00 0.00 SOLV O ATOM 26743 H1 TIP3 8238 10.668 26.708 58.841 1.00 0.00 SOLV H ATOM 26744 H2 TIP3 8238 11.507 26.198 57.673 1.00 0.00 SOLV H ATOM 26745 OH2 TIP3 8239 14.136 28.080 61.806 1.00 0.00 SOLV O ATOM 26746 H1 TIP3 8239 13.438 28.380 62.435 1.00 0.00 SOLV H ATOM 26747 H2 TIP3 8239 14.805 27.747 62.441 1.00 0.00 SOLV H ATOM 26748 OH2 TIP3 8240 5.757 28.971 63.996 1.00 0.00 SOLV O ATOM 26749 H1 TIP3 8240 5.468 28.592 63.138 1.00 0.00 SOLV H ATOM 26750 H2 TIP3 8240 6.298 28.241 64.368 1.00 0.00 SOLV H ATOM 26751 OH2 TIP3 8241 6.956 32.469 66.455 1.00 0.00 SOLV O ATOM 26752 H1 TIP3 8241 6.934 32.492 65.480 1.00 0.00 SOLV H ATOM 26753 H2 TIP3 8241 7.659 31.813 66.646 1.00 0.00 SOLV H ATOM 26754 OH2 TIP3 8242 6.419 27.596 67.746 1.00 0.00 SOLV O ATOM 26755 H1 TIP3 8242 6.670 27.406 66.819 1.00 0.00 SOLV H ATOM 26756 H2 TIP3 8242 5.851 28.386 67.623 1.00 0.00 SOLV H ATOM 26757 OH2 TIP3 8243 12.369 33.593 68.530 1.00 0.00 SOLV O ATOM 26758 H1 TIP3 8243 13.052 33.761 69.218 1.00 0.00 SOLV H ATOM 26759 H2 TIP3 8243 12.032 32.713 68.778 1.00 0.00 SOLV H ATOM 26760 OH2 TIP3 8244 10.728 34.025 63.213 1.00 0.00 SOLV O ATOM 26761 H1 TIP3 8244 11.595 34.362 63.530 1.00 0.00 SOLV H ATOM 26762 H2 TIP3 8244 10.309 34.832 62.890 1.00 0.00 SOLV H ATOM 26763 OH2 TIP3 8245 16.629 19.206 59.525 1.00 0.00 SOLV O ATOM 26764 H1 TIP3 8245 15.744 19.459 59.857 1.00 0.00 SOLV H ATOM 26765 H2 TIP3 8245 16.995 20.072 59.265 1.00 0.00 SOLV H ATOM 26766 OH2 TIP3 8246 4.876 28.095 61.467 1.00 0.00 SOLV O ATOM 26767 H1 TIP3 8246 4.343 28.729 60.939 1.00 0.00 SOLV H ATOM 26768 H2 TIP3 8246 4.364 27.282 61.382 1.00 0.00 SOLV H ATOM 26769 OH2 TIP3 8247 17.854 33.574 58.067 1.00 0.00 SOLV O ATOM 26770 H1 TIP3 8247 18.086 34.524 58.152 1.00 0.00 SOLV H ATOM 26771 H2 TIP3 8247 18.747 33.164 58.081 1.00 0.00 SOLV H ATOM 26772 OH2 TIP3 8248 1.419 33.350 66.698 1.00 0.00 SOLV O ATOM 26773 H1 TIP3 8248 2.184 32.698 66.575 1.00 0.00 SOLV H ATOM 26774 H2 TIP3 8248 1.611 33.675 67.544 1.00 0.00 SOLV H ATOM 26775 OH2 TIP3 8249 10.450 37.022 61.684 1.00 0.00 SOLV O ATOM 26776 H1 TIP3 8249 10.156 37.149 60.767 1.00 0.00 SOLV H ATOM 26777 H2 TIP3 8249 10.145 37.844 62.113 1.00 0.00 SOLV H ATOM 26778 OH2 TIP3 8250 3.865 35.937 63.614 1.00 0.00 SOLV O ATOM 26779 H1 TIP3 8250 4.008 35.621 64.533 1.00 0.00 SOLV H ATOM 26780 H2 TIP3 8250 3.264 35.247 63.273 1.00 0.00 SOLV H ATOM 26781 OH2 TIP3 8251 13.155 36.476 58.490 1.00 0.00 SOLV O ATOM 26782 H1 TIP3 8251 13.704 35.746 58.130 1.00 0.00 SOLV H ATOM 26783 H2 TIP3 8251 13.274 36.351 59.456 1.00 0.00 SOLV H ATOM 26784 OH2 TIP3 8252 13.039 36.324 61.267 1.00 0.00 SOLV O ATOM 26785 H1 TIP3 8252 12.093 36.495 61.472 1.00 0.00 SOLV H ATOM 26786 H2 TIP3 8252 13.297 35.790 62.038 1.00 0.00 SOLV H ATOM 26787 OH2 TIP3 8253 5.849 20.330 67.460 1.00 0.00 SOLV O ATOM 26788 H1 TIP3 8253 4.918 20.388 67.175 1.00 0.00 SOLV H ATOM 26789 H2 TIP3 8253 5.974 21.153 67.978 1.00 0.00 SOLV H ATOM 26790 OH2 TIP3 8254 9.984 22.338 58.266 1.00 0.00 SOLV O ATOM 26791 H1 TIP3 8254 9.382 22.190 59.025 1.00 0.00 SOLV H ATOM 26792 H2 TIP3 8254 9.584 21.709 57.628 1.00 0.00 SOLV H ATOM 26793 OH2 TIP3 8255 5.381 25.173 68.727 1.00 0.00 SOLV O ATOM 26794 H1 TIP3 8255 4.506 25.520 68.991 1.00 0.00 SOLV H ATOM 26795 H2 TIP3 8255 5.824 25.983 68.399 1.00 0.00 SOLV H ATOM 26796 OH2 TIP3 8256 5.900 25.338 63.564 1.00 0.00 SOLV O ATOM 26797 H1 TIP3 8256 4.932 25.162 63.505 1.00 0.00 SOLV H ATOM 26798 H2 TIP3 8256 6.158 25.080 62.653 1.00 0.00 SOLV H ATOM 26799 OH2 TIP3 8257 11.318 25.795 62.388 1.00 0.00 SOLV O ATOM 26800 H1 TIP3 8257 11.118 26.623 61.902 1.00 0.00 SOLV H ATOM 26801 H2 TIP3 8257 12.028 25.425 61.828 1.00 0.00 SOLV H ATOM 26802 OH2 TIP3 8258 12.110 25.190 65.008 1.00 0.00 SOLV O ATOM 26803 H1 TIP3 8258 11.771 25.613 64.190 1.00 0.00 SOLV H ATOM 26804 H2 TIP3 8258 12.515 24.401 64.598 1.00 0.00 SOLV H ATOM 26805 OH2 TIP3 8259 6.818 22.866 57.056 1.00 0.00 SOLV O ATOM 26806 H1 TIP3 8259 6.425 22.678 57.931 1.00 0.00 SOLV H ATOM 26807 H2 TIP3 8259 6.201 23.551 56.727 1.00 0.00 SOLV H ATOM 26808 OH2 TIP3 8260 0.595 22.800 63.951 1.00 0.00 SOLV O ATOM 26809 H1 TIP3 8260 0.959 22.671 64.857 1.00 0.00 SOLV H ATOM 26810 H2 TIP3 8260 0.870 21.975 63.533 1.00 0.00 SOLV H ATOM 26811 OH2 TIP3 8261 1.522 23.214 60.070 1.00 0.00 SOLV O ATOM 26812 H1 TIP3 8261 2.042 22.885 59.319 1.00 0.00 SOLV H ATOM 26813 H2 TIP3 8261 1.582 24.169 59.882 1.00 0.00 SOLV H ATOM 26814 OH2 TIP3 8262 8.643 22.952 64.536 1.00 0.00 SOLV O ATOM 26815 H1 TIP3 8262 7.736 22.852 64.887 1.00 0.00 SOLV H ATOM 26816 H2 TIP3 8262 9.144 22.308 65.078 1.00 0.00 SOLV H ATOM 26817 OH2 TIP3 8263 3.400 24.417 63.256 1.00 0.00 SOLV O ATOM 26818 H1 TIP3 8263 2.579 24.691 62.792 1.00 0.00 SOLV H ATOM 26819 H2 TIP3 8263 3.543 23.499 62.948 1.00 0.00 SOLV H ATOM 26820 OH2 TIP3 8264 6.436 24.483 61.053 1.00 0.00 SOLV O ATOM 26821 H1 TIP3 8264 7.410 24.468 61.116 1.00 0.00 SOLV H ATOM 26822 H2 TIP3 8264 6.268 24.945 60.200 1.00 0.00 SOLV H ATOM 26823 OH2 TIP3 8265 12.478 22.393 67.796 1.00 0.00 SOLV O ATOM 26824 H1 TIP3 8265 12.479 21.853 68.600 1.00 0.00 SOLV H ATOM 26825 H2 TIP3 8265 12.014 21.819 67.174 1.00 0.00 SOLV H ATOM 26826 OH2 TIP3 8266 5.835 25.605 58.651 1.00 0.00 SOLV O ATOM 26827 H1 TIP3 8266 5.285 25.344 57.891 1.00 0.00 SOLV H ATOM 26828 H2 TIP3 8266 6.588 26.030 58.189 1.00 0.00 SOLV H ATOM 26829 OH2 TIP3 8267 9.554 25.789 66.242 1.00 0.00 SOLV O ATOM 26830 H1 TIP3 8267 10.291 25.412 65.729 1.00 0.00 SOLV H ATOM 26831 H2 TIP3 8267 9.542 25.195 67.006 1.00 0.00 SOLV H ATOM 26832 OH2 TIP3 8268 4.487 21.801 62.927 1.00 0.00 SOLV O ATOM 26833 H1 TIP3 8268 3.904 21.085 63.267 1.00 0.00 SOLV H ATOM 26834 H2 TIP3 8268 5.094 21.287 62.379 1.00 0.00 SOLV H ATOM 26835 OH2 TIP3 8269 8.819 30.036 60.610 1.00 0.00 SOLV O ATOM 26836 H1 TIP3 8269 8.042 29.668 60.136 1.00 0.00 SOLV H ATOM 26837 H2 TIP3 8269 8.402 30.298 61.468 1.00 0.00 SOLV H ATOM 26838 OH2 TIP3 8270 12.541 23.025 58.783 1.00 0.00 SOLV O ATOM 26839 H1 TIP3 8270 11.578 22.852 58.638 1.00 0.00 SOLV H ATOM 26840 H2 TIP3 8270 12.552 23.834 59.324 1.00 0.00 SOLV H ATOM 26841 OH2 TIP3 8271 13.375 25.164 60.551 1.00 0.00 SOLV O ATOM 26842 H1 TIP3 8271 14.066 24.624 60.989 1.00 0.00 SOLV H ATOM 26843 H2 TIP3 8271 13.745 26.052 60.670 1.00 0.00 SOLV H ATOM 26844 OH2 TIP3 8272 4.526 29.687 66.391 1.00 0.00 SOLV O ATOM 26845 H1 TIP3 8272 4.944 29.519 65.527 1.00 0.00 SOLV H ATOM 26846 H2 TIP3 8272 3.649 29.265 66.255 1.00 0.00 SOLV H ATOM 26847 OH2 TIP3 8273 10.848 31.629 59.689 1.00 0.00 SOLV O ATOM 26848 H1 TIP3 8273 10.486 32.548 59.751 1.00 0.00 SOLV H ATOM 26849 H2 TIP3 8273 10.076 31.099 59.987 1.00 0.00 SOLV H ATOM 26850 OH2 TIP3 8274 17.922 25.389 60.150 1.00 0.00 SOLV O ATOM 26851 H1 TIP3 8274 17.395 25.236 59.349 1.00 0.00 SOLV H ATOM 26852 H2 TIP3 8274 18.209 26.314 59.976 1.00 0.00 SOLV H ATOM 26853 OH2 TIP3 8275 16.620 34.008 60.629 1.00 0.00 SOLV O ATOM 26854 H1 TIP3 8275 16.044 33.332 61.012 1.00 0.00 SOLV H ATOM 26855 H2 TIP3 8275 16.882 33.628 59.773 1.00 0.00 SOLV H ATOM 26856 OH2 TIP3 8276 13.661 28.795 67.272 1.00 0.00 SOLV O ATOM 26857 H1 TIP3 8276 12.695 28.680 67.170 1.00 0.00 SOLV H ATOM 26858 H2 TIP3 8276 14.001 28.035 66.760 1.00 0.00 SOLV H ATOM 26859 OH2 TIP3 8277 6.438 33.151 63.702 1.00 0.00 SOLV O ATOM 26860 H1 TIP3 8277 6.651 34.041 63.355 1.00 0.00 SOLV H ATOM 26861 H2 TIP3 8277 5.479 33.135 63.594 1.00 0.00 SOLV H ATOM 26862 OH2 TIP3 8278 2.159 27.899 58.264 1.00 0.00 SOLV O ATOM 26863 H1 TIP3 8278 2.829 28.427 58.756 1.00 0.00 SOLV H ATOM 26864 H2 TIP3 8278 1.360 28.373 58.531 1.00 0.00 SOLV H ATOM 26865 OH2 TIP3 8279 7.533 30.750 62.852 1.00 0.00 SOLV O ATOM 26866 H1 TIP3 8279 7.261 31.631 63.178 1.00 0.00 SOLV H ATOM 26867 H2 TIP3 8279 6.919 30.168 63.343 1.00 0.00 SOLV H ATOM 26868 OH2 TIP3 8280 6.438 35.895 62.666 1.00 0.00 SOLV O ATOM 26869 H1 TIP3 8280 5.504 36.035 62.931 1.00 0.00 SOLV H ATOM 26870 H2 TIP3 8280 6.845 36.726 63.003 1.00 0.00 SOLV H ATOM 26871 OH2 TIP3 8281 14.197 32.005 58.409 1.00 0.00 SOLV O ATOM 26872 H1 TIP3 8281 14.443 31.351 59.103 1.00 0.00 SOLV H ATOM 26873 H2 TIP3 8281 13.230 31.923 58.402 1.00 0.00 SOLV H ATOM 26874 OH2 TIP3 8282 18.526 36.230 58.564 1.00 0.00 SOLV O ATOM 26875 H1 TIP3 8282 19.088 36.980 58.311 1.00 0.00 SOLV H ATOM 26876 H2 TIP3 8282 17.727 36.719 58.853 1.00 0.00 SOLV H ATOM 26877 OH2 TIP3 8283 15.146 30.054 60.125 1.00 0.00 SOLV O ATOM 26878 H1 TIP3 8283 14.715 29.531 60.833 1.00 0.00 SOLV H ATOM 26879 H2 TIP3 8283 16.045 30.153 60.503 1.00 0.00 SOLV H ATOM 26880 OH2 TIP3 8284 8.114 33.022 56.850 1.00 0.00 SOLV O ATOM 26881 H1 TIP3 8284 8.141 32.137 56.441 1.00 0.00 SOLV H ATOM 26882 H2 TIP3 8284 7.653 32.832 57.692 1.00 0.00 SOLV H ATOM 26883 OH2 TIP3 8285 6.868 32.697 59.294 1.00 0.00 SOLV O ATOM 26884 H1 TIP3 8285 7.282 32.201 60.012 1.00 0.00 SOLV H ATOM 26885 H2 TIP3 8285 6.980 33.625 59.606 1.00 0.00 SOLV H ATOM 26886 OH2 TIP3 8286 3.439 29.748 59.801 1.00 0.00 SOLV O ATOM 26887 H1 TIP3 8286 2.715 30.261 60.235 1.00 0.00 SOLV H ATOM 26888 H2 TIP3 8286 3.854 30.495 59.320 1.00 0.00 SOLV H ATOM 26889 OH2 TIP3 8287 12.192 21.719 61.496 1.00 0.00 SOLV O ATOM 26890 H1 TIP3 8287 12.411 22.133 60.645 1.00 0.00 SOLV H ATOM 26891 H2 TIP3 8287 12.605 22.331 62.144 1.00 0.00 SOLV H ATOM 26892 OH2 TIP3 8288 9.832 34.122 59.882 1.00 0.00 SOLV O ATOM 26893 H1 TIP3 8288 8.922 34.416 60.079 1.00 0.00 SOLV H ATOM 26894 H2 TIP3 8288 10.231 34.978 59.656 1.00 0.00 SOLV H ATOM 26895 OH2 TIP3 8289 9.082 24.087 62.084 1.00 0.00 SOLV O ATOM 26896 H1 TIP3 8289 9.835 24.678 62.286 1.00 0.00 SOLV H ATOM 26897 H2 TIP3 8289 8.902 23.712 62.979 1.00 0.00 SOLV H ATOM 26898 OH2 TIP3 8290 9.847 20.714 62.616 1.00 0.00 SOLV O ATOM 26899 H1 TIP3 8290 9.948 21.083 63.514 1.00 0.00 SOLV H ATOM 26900 H2 TIP3 8290 10.676 21.040 62.197 1.00 0.00 SOLV H ATOM 26901 OH2 TIP3 8291 7.341 35.209 60.189 1.00 0.00 SOLV O ATOM 26902 H1 TIP3 8291 7.313 36.071 59.717 1.00 0.00 SOLV H ATOM 26903 H2 TIP3 8291 7.003 35.473 61.076 1.00 0.00 SOLV H ATOM 26904 OH2 TIP3 8292 5.849 22.215 59.552 1.00 0.00 SOLV O ATOM 26905 H1 TIP3 8292 5.802 22.967 60.177 1.00 0.00 SOLV H ATOM 26906 H2 TIP3 8292 6.723 21.853 59.812 1.00 0.00 SOLV H ATOM 26907 OH2 TIP3 8293 14.564 26.428 65.930 1.00 0.00 SOLV O ATOM 26908 H1 TIP3 8293 13.727 25.968 65.726 1.00 0.00 SOLV H ATOM 26909 H2 TIP3 8293 15.041 25.762 66.470 1.00 0.00 SOLV H ATOM 26910 OH2 TIP3 8294 4.245 32.051 58.532 1.00 0.00 SOLV O ATOM 26911 H1 TIP3 8294 4.996 32.528 58.935 1.00 0.00 SOLV H ATOM 26912 H2 TIP3 8294 4.728 31.558 57.835 1.00 0.00 SOLV H ATOM 26913 OH2 TIP3 8295 1.898 25.131 57.961 1.00 0.00 SOLV O ATOM 26914 H1 TIP3 8295 2.109 26.077 58.062 1.00 0.00 SOLV H ATOM 26915 H2 TIP3 8295 1.648 25.067 57.018 1.00 0.00 SOLV H ATOM 26916 OH2 TIP3 8296 15.934 35.573 67.568 1.00 0.00 SOLV O ATOM 26917 H1 TIP3 8296 15.689 36.376 67.063 1.00 0.00 SOLV H ATOM 26918 H2 TIP3 8296 16.895 35.703 67.674 1.00 0.00 SOLV H ATOM 26919 OH2 TIP3 8297 3.148 20.104 66.452 1.00 0.00 SOLV O ATOM 26920 H1 TIP3 8297 3.165 19.938 65.487 1.00 0.00 SOLV H ATOM 26921 H2 TIP3 8297 2.859 19.228 66.783 1.00 0.00 SOLV H ATOM 26922 OH2 TIP3 8298 2.085 33.920 62.437 1.00 0.00 SOLV O ATOM 26923 H1 TIP3 8298 1.353 34.148 63.027 1.00 0.00 SOLV H ATOM 26924 H2 TIP3 8298 1.952 34.542 61.686 1.00 0.00 SOLV H ATOM 26925 OH2 TIP3 8299 10.166 34.832 56.770 1.00 0.00 SOLV O ATOM 26926 H1 TIP3 8299 9.444 34.167 56.867 1.00 0.00 SOLV H ATOM 26927 H2 TIP3 8299 10.921 34.256 56.555 1.00 0.00 SOLV H ATOM 26928 OH2 TIP3 8300 14.603 34.531 57.164 1.00 0.00 SOLV O ATOM 26929 H1 TIP3 8300 14.772 33.734 57.699 1.00 0.00 SOLV H ATOM 26930 H2 TIP3 8300 15.333 34.518 56.513 1.00 0.00 SOLV H ATOM 26931 OH2 TIP3 8301 5.648 30.283 57.055 1.00 0.00 SOLV O ATOM 26932 H1 TIP3 8301 5.973 29.806 57.846 1.00 0.00 SOLV H ATOM 26933 H2 TIP3 8301 6.485 30.375 56.549 1.00 0.00 SOLV H ATOM 26934 OH2 TIP3 8302 11.407 31.723 56.982 1.00 0.00 SOLV O ATOM 26935 H1 TIP3 8302 11.058 31.649 57.893 1.00 0.00 SOLV H ATOM 26936 H2 TIP3 8302 11.339 30.790 56.681 1.00 0.00 SOLV H ATOM 26937 OH2 TIP3 8303 6.730 28.796 59.310 1.00 0.00 SOLV O ATOM 26938 H1 TIP3 8303 6.187 28.348 59.987 1.00 0.00 SOLV H ATOM 26939 H2 TIP3 8303 7.099 28.045 58.802 1.00 0.00 SOLV H ATOM 26940 OH2 TIP3 8304 7.937 26.965 57.559 1.00 0.00 SOLV O ATOM 26941 H1 TIP3 8304 7.912 27.289 56.633 1.00 0.00 SOLV H ATOM 26942 H2 TIP3 8304 8.891 26.766 57.643 1.00 0.00 SOLV H ATOM 26943 OH2 TIP3 8305 16.882 28.984 57.175 1.00 0.00 SOLV O ATOM 26944 H1 TIP3 8305 17.032 28.896 56.210 1.00 0.00 SOLV H ATOM 26945 H2 TIP3 8305 16.784 29.970 57.203 1.00 0.00 SOLV H ATOM 26946 OH2 TIP3 8306 7.839 37.592 58.838 1.00 0.00 SOLV O ATOM 26947 H1 TIP3 8306 8.771 37.303 58.813 1.00 0.00 SOLV H ATOM 26948 H2 TIP3 8306 7.870 38.309 58.177 1.00 0.00 SOLV H ATOM 26949 OH2 TIP3 8307 1.705 32.596 57.593 1.00 0.00 SOLV O ATOM 26950 H1 TIP3 8307 2.539 32.435 58.080 1.00 0.00 SOLV H ATOM 26951 H2 TIP3 8307 1.498 31.714 57.240 1.00 0.00 SOLV H ATOM 26952 OH2 TIP3 8308 1.153 35.491 65.002 1.00 0.00 SOLV O ATOM 26953 H1 TIP3 8308 1.117 34.610 65.424 1.00 0.00 SOLV H ATOM 26954 H2 TIP3 8308 1.656 35.983 65.676 1.00 0.00 SOLV H ATOM 26955 OH2 TIP3 8309 18.614 36.100 68.128 1.00 0.00 SOLV O ATOM 26956 H1 TIP3 8309 18.582 36.240 69.100 1.00 0.00 SOLV H ATOM 26957 H2 TIP3 8309 18.805 36.992 67.812 1.00 0.00 SOLV H ATOM 26958 OH2 TIP3 8310 17.827 29.922 61.019 1.00 0.00 SOLV O ATOM 26959 H1 TIP3 8310 18.588 30.537 61.070 1.00 0.00 SOLV H ATOM 26960 H2 TIP3 8310 17.977 29.367 61.819 1.00 0.00 SOLV H ATOM 26961 OH2 TIP3 8311 18.227 28.027 62.966 1.00 0.00 SOLV O ATOM 26962 H1 TIP3 8311 17.373 27.656 63.279 1.00 0.00 SOLV H ATOM 26963 H2 TIP3 8311 18.748 28.094 63.793 1.00 0.00 SOLV H ATOM 26964 OH2 TIP3 8312 18.523 31.112 68.226 1.00 0.00 SOLV O ATOM 26965 H1 TIP3 8312 18.869 30.306 67.788 1.00 0.00 SOLV H ATOM 26966 H2 TIP3 8312 18.163 31.617 67.481 1.00 0.00 SOLV H ATOM 26967 OH2 TIP3 8313 18.425 27.950 59.224 1.00 0.00 SOLV O ATOM 26968 H1 TIP3 8313 18.022 28.365 58.434 1.00 0.00 SOLV H ATOM 26969 H2 TIP3 8313 18.199 28.624 59.904 1.00 0.00 SOLV H ATOM 26970 OH2 TIP3 8314 16.269 25.714 57.624 1.00 0.00 SOLV O ATOM 26971 H1 TIP3 8314 16.921 25.698 56.908 1.00 0.00 SOLV H ATOM 26972 H2 TIP3 8314 15.951 24.781 57.550 1.00 0.00 SOLV H ATOM 26973 OH2 TIP3 8315 15.838 26.758 63.516 1.00 0.00 SOLV O ATOM 26974 H1 TIP3 8315 15.824 25.818 63.275 1.00 0.00 SOLV H ATOM 26975 H2 TIP3 8315 15.421 26.743 64.407 1.00 0.00 SOLV H ATOM 26976 OH2 TIP3 8316 1.334 29.560 67.901 1.00 0.00 SOLV O ATOM 26977 H1 TIP3 8316 1.377 29.616 66.937 1.00 0.00 SOLV H ATOM 26978 H2 TIP3 8316 1.089 28.621 68.009 1.00 0.00 SOLV H ATOM 26979 OH2 TIP3 8317 15.983 23.093 57.124 1.00 0.00 SOLV O ATOM 26980 H1 TIP3 8317 16.617 22.473 57.548 1.00 0.00 SOLV H ATOM 26981 H2 TIP3 8317 15.301 22.487 56.789 1.00 0.00 SOLV H ATOM 26982 OH2 TIP3 8318 15.722 24.192 61.776 1.00 0.00 SOLV O ATOM 26983 H1 TIP3 8318 15.949 23.228 61.798 1.00 0.00 SOLV H ATOM 26984 H2 TIP3 8318 16.544 24.542 61.388 1.00 0.00 SOLV H ATOM 26985 OH2 TIP3 8319 16.135 24.481 67.266 1.00 0.00 SOLV O ATOM 26986 H1 TIP3 8319 17.061 24.788 67.364 1.00 0.00 SOLV H ATOM 26987 H2 TIP3 8319 16.018 23.892 68.045 1.00 0.00 SOLV H ATOM 26988 OH2 TIP3 8320 16.286 21.541 61.893 1.00 0.00 SOLV O ATOM 26989 H1 TIP3 8320 16.502 21.134 62.760 1.00 0.00 SOLV H ATOM 26990 H2 TIP3 8320 15.618 20.903 61.563 1.00 0.00 SOLV H ATOM 26991 OH2 TIP3 8321 1.545 22.323 66.459 1.00 0.00 SOLV O ATOM 26992 H1 TIP3 8321 1.954 21.440 66.572 1.00 0.00 SOLV H ATOM 26993 H2 TIP3 8321 2.315 22.871 66.712 1.00 0.00 SOLV H ATOM 26994 OH2 TIP3 8322 0.452 26.890 67.581 1.00 0.00 SOLV O ATOM 26995 H1 TIP3 8322 0.857 26.612 66.748 1.00 0.00 SOLV H ATOM 26996 H2 TIP3 8322 0.202 26.019 67.959 1.00 0.00 SOLV H ATOM 26997 OH2 TIP3 8323 17.882 21.472 58.399 1.00 0.00 SOLV O ATOM 26998 H1 TIP3 8323 18.300 20.774 57.850 1.00 0.00 SOLV H ATOM 26999 H2 TIP3 8323 18.662 21.914 58.791 1.00 0.00 SOLV H ATOM 27000 OH2 TIP3 8324 1.166 20.894 61.623 1.00 0.00 SOLV O ATOM 27001 H1 TIP3 8324 0.197 20.879 61.604 1.00 0.00 SOLV H ATOM 27002 H2 TIP3 8324 1.353 21.723 61.129 1.00 0.00 SOLV H ATOM 27003 OH2 TIP3 8325 15.180 36.544 63.591 1.00 0.00 SOLV O ATOM 27004 H1 TIP3 8325 15.949 36.586 62.985 1.00 0.00 SOLV H ATOM 27005 H2 TIP3 8325 15.542 36.927 64.411 1.00 0.00 SOLV H ATOM 27006 OH2 TIP3 8326 10.564 37.745 68.058 1.00 0.00 SOLV O ATOM 27007 H1 TIP3 8326 9.654 37.716 67.724 1.00 0.00 SOLV H ATOM 27008 H2 TIP3 8326 10.468 37.510 68.997 1.00 0.00 SOLV H ATOM 27009 OH2 TIP3 8327 2.528 36.439 67.221 1.00 0.00 SOLV O ATOM 27010 H1 TIP3 8327 2.713 36.461 68.190 1.00 0.00 SOLV H ATOM 27011 H2 TIP3 8327 3.259 35.851 66.917 1.00 0.00 SOLV H ATOM 27012 OH2 TIP3 8328 4.474 34.926 66.092 1.00 0.00 SOLV O ATOM 27013 H1 TIP3 8328 4.314 33.995 66.372 1.00 0.00 SOLV H ATOM 27014 H2 TIP3 8328 5.408 35.054 66.365 1.00 0.00 SOLV H ATOM 27015 OH2 TIP3 8329 7.127 35.157 67.006 1.00 0.00 SOLV O ATOM 27016 H1 TIP3 8329 7.255 34.229 66.715 1.00 0.00 SOLV H ATOM 27017 H2 TIP3 8329 7.339 35.061 67.944 1.00 0.00 SOLV H ATOM 27018 OH2 TIP3 8330 10.261 20.977 65.571 1.00 0.00 SOLV O ATOM 27019 H1 TIP3 8330 9.816 20.307 66.127 1.00 0.00 SOLV H ATOM 27020 H2 TIP3 8330 11.157 20.596 65.505 1.00 0.00 SOLV H ATOM 27021 OH2 TIP3 8331 15.508 19.102 65.993 1.00 0.00 SOLV O ATOM 27022 H1 TIP3 8331 16.115 19.674 65.478 1.00 0.00 SOLV H ATOM 27023 H2 TIP3 8331 14.639 19.484 65.783 1.00 0.00 SOLV H ATOM 27024 OH2 TIP3 8332 17.208 20.418 64.229 1.00 0.00 SOLV O ATOM 27025 H1 TIP3 8332 17.918 19.792 63.965 1.00 0.00 SOLV H ATOM 27026 H2 TIP3 8332 17.737 21.235 64.366 1.00 0.00 SOLV H ATOM 27027 OH2 TIP3 8333 2.952 19.699 63.669 1.00 0.00 SOLV O ATOM 27028 H1 TIP3 8333 2.248 19.753 63.000 1.00 0.00 SOLV H ATOM 27029 H2 TIP3 8333 3.242 18.762 63.582 1.00 0.00 SOLV H ATOM 27030 OH2 TIP3 8334 1.740 19.326 59.399 1.00 0.00 SOLV O ATOM 27031 H1 TIP3 8334 2.224 19.953 58.840 1.00 0.00 SOLV H ATOM 27032 H2 TIP3 8334 1.667 19.808 60.246 1.00 0.00 SOLV H ATOM 27033 OH2 TIP3 8335 7.476 19.429 63.681 1.00 0.00 SOLV O ATOM 27034 H1 TIP3 8335 8.257 19.851 63.288 1.00 0.00 SOLV H ATOM 27035 H2 TIP3 8335 7.689 19.456 64.632 1.00 0.00 SOLV H ATOM 27036 OH2 TIP3 8336 12.901 19.891 65.075 1.00 0.00 SOLV O ATOM 27037 H1 TIP3 8336 13.217 19.512 64.243 1.00 0.00 SOLV H ATOM 27038 H2 TIP3 8336 12.474 19.089 65.466 1.00 0.00 SOLV H ATOM 27039 OH2 TIP3 8337 14.291 19.877 60.939 1.00 0.00 SOLV O ATOM 27040 H1 TIP3 8337 13.453 20.351 61.084 1.00 0.00 SOLV H ATOM 27041 H2 TIP3 8337 13.996 18.953 61.105 1.00 0.00 SOLV H ATOM 27042 OH2 TIP3 8338 1.734 35.649 60.334 1.00 0.00 SOLV O ATOM 27043 H1 TIP3 8338 1.014 35.270 59.821 1.00 0.00 SOLV H ATOM 27044 H2 TIP3 8338 1.777 36.564 59.975 1.00 0.00 SOLV H ATOM 27045 OH2 TIP3 8339 3.730 21.317 57.945 1.00 0.00 SOLV O ATOM 27046 H1 TIP3 8339 4.203 20.702 57.346 1.00 0.00 SOLV H ATOM 27047 H2 TIP3 8339 4.452 21.562 58.563 1.00 0.00 SOLV H ATOM 27048 OH2 TIP3 8340 8.447 21.934 60.505 1.00 0.00 SOLV O ATOM 27049 H1 TIP3 8340 8.758 21.226 61.098 1.00 0.00 SOLV H ATOM 27050 H2 TIP3 8340 8.700 22.717 61.041 1.00 0.00 SOLV H ATOM 27051 OH2 TIP3 8341 10.419 36.668 58.782 1.00 0.00 SOLV O ATOM 27052 H1 TIP3 8341 11.384 36.818 58.693 1.00 0.00 SOLV H ATOM 27053 H2 TIP3 8341 10.273 36.112 57.982 1.00 0.00 SOLV H ATOM 27054 OH2 TIP3 8342 17.234 36.433 61.718 1.00 0.00 SOLV O ATOM 27055 H1 TIP3 8342 17.042 35.525 61.384 1.00 0.00 SOLV H ATOM 27056 H2 TIP3 8342 17.017 36.963 60.924 1.00 0.00 SOLV H ATOM 27057 OH2 TIP3 8343 3.472 36.506 57.308 1.00 0.00 SOLV O ATOM 27058 H1 TIP3 8343 3.220 36.333 58.224 1.00 0.00 SOLV H ATOM 27059 H2 TIP3 8343 4.225 35.878 57.183 1.00 0.00 SOLV H ATOM 27060 OH2 TIP3 8344 30.852 28.979 63.584 1.00 0.00 SOLV O ATOM 27061 H1 TIP3 8344 30.684 29.937 63.456 1.00 0.00 SOLV H ATOM 27062 H2 TIP3 8344 30.238 28.616 62.918 1.00 0.00 SOLV H ATOM 27063 OH2 TIP3 8345 29.766 28.257 67.259 1.00 0.00 SOLV O ATOM 27064 H1 TIP3 8345 29.746 27.543 67.915 1.00 0.00 SOLV H ATOM 27065 H2 TIP3 8345 29.481 27.789 66.461 1.00 0.00 SOLV H ATOM 27066 OH2 TIP3 8346 33.261 31.092 65.432 1.00 0.00 SOLV O ATOM 27067 H1 TIP3 8346 33.006 30.225 65.784 1.00 0.00 SOLV H ATOM 27068 H2 TIP3 8346 33.409 31.592 66.257 1.00 0.00 SOLV H ATOM 27069 OH2 TIP3 8347 23.066 32.351 67.017 1.00 0.00 SOLV O ATOM 27070 H1 TIP3 8347 22.836 31.424 66.804 1.00 0.00 SOLV H ATOM 27071 H2 TIP3 8347 24.042 32.285 67.009 1.00 0.00 SOLV H ATOM 27072 OH2 TIP3 8348 19.799 25.684 62.271 1.00 0.00 SOLV O ATOM 27073 H1 TIP3 8348 19.393 26.511 62.580 1.00 0.00 SOLV H ATOM 27074 H2 TIP3 8348 19.123 25.372 61.649 1.00 0.00 SOLV H ATOM 27075 OH2 TIP3 8349 20.248 27.944 64.834 1.00 0.00 SOLV O ATOM 27076 H1 TIP3 8349 20.506 27.028 65.090 1.00 0.00 SOLV H ATOM 27077 H2 TIP3 8349 21.065 28.272 64.438 1.00 0.00 SOLV H ATOM 27078 OH2 TIP3 8350 27.801 30.745 67.567 1.00 0.00 SOLV O ATOM 27079 H1 TIP3 8350 28.227 29.942 67.222 1.00 0.00 SOLV H ATOM 27080 H2 TIP3 8350 28.543 31.075 68.122 1.00 0.00 SOLV H ATOM 27081 OH2 TIP3 8351 37.524 22.154 68.499 1.00 0.00 SOLV O ATOM 27082 H1 TIP3 8351 36.784 22.635 68.107 1.00 0.00 SOLV H ATOM 27083 H2 TIP3 8351 38.162 22.123 67.757 1.00 0.00 SOLV H ATOM 27084 OH2 TIP3 8352 30.792 25.157 67.912 1.00 0.00 SOLV O ATOM 27085 H1 TIP3 8352 31.037 24.214 68.047 1.00 0.00 SOLV H ATOM 27086 H2 TIP3 8352 30.938 25.232 66.953 1.00 0.00 SOLV H ATOM 27087 OH2 TIP3 8353 24.717 23.031 65.032 1.00 0.00 SOLV O ATOM 27088 H1 TIP3 8353 24.797 23.874 64.542 1.00 0.00 SOLV H ATOM 27089 H2 TIP3 8353 24.249 22.482 64.366 1.00 0.00 SOLV H ATOM 27090 OH2 TIP3 8354 32.402 23.443 63.314 1.00 0.00 SOLV O ATOM 27091 H1 TIP3 8354 32.837 23.006 64.083 1.00 0.00 SOLV H ATOM 27092 H2 TIP3 8354 33.189 23.749 62.826 1.00 0.00 SOLV H ATOM 27093 OH2 TIP3 8355 21.057 25.492 65.705 1.00 0.00 SOLV O ATOM 27094 H1 TIP3 8355 21.697 25.002 66.262 1.00 0.00 SOLV H ATOM 27095 H2 TIP3 8355 21.302 25.105 64.836 1.00 0.00 SOLV H ATOM 27096 OH2 TIP3 8356 26.070 26.888 65.296 1.00 0.00 SOLV O ATOM 27097 H1 TIP3 8356 26.914 26.445 65.540 1.00 0.00 SOLV H ATOM 27098 H2 TIP3 8356 25.675 26.227 64.681 1.00 0.00 SOLV H ATOM 27099 OH2 TIP3 8357 30.322 31.527 62.571 1.00 0.00 SOLV O ATOM 27100 H1 TIP3 8357 30.331 31.673 61.612 1.00 0.00 SOLV H ATOM 27101 H2 TIP3 8357 30.147 32.431 62.902 1.00 0.00 SOLV H ATOM 27102 OH2 TIP3 8358 33.727 22.688 65.515 1.00 0.00 SOLV O ATOM 27103 H1 TIP3 8358 33.524 21.952 66.106 1.00 0.00 SOLV H ATOM 27104 H2 TIP3 8358 34.352 23.218 66.037 1.00 0.00 SOLV H ATOM 27105 OH2 TIP3 8359 22.873 23.807 66.890 1.00 0.00 SOLV O ATOM 27106 H1 TIP3 8359 23.474 24.043 67.620 1.00 0.00 SOLV H ATOM 27107 H2 TIP3 8359 23.521 23.443 66.246 1.00 0.00 SOLV H ATOM 27108 OH2 TIP3 8360 20.177 31.504 60.866 1.00 0.00 SOLV O ATOM 27109 H1 TIP3 8360 20.081 31.999 60.031 1.00 0.00 SOLV H ATOM 27110 H2 TIP3 8360 20.503 32.211 61.466 1.00 0.00 SOLV H ATOM 27111 OH2 TIP3 8361 33.788 32.887 67.401 1.00 0.00 SOLV O ATOM 27112 H1 TIP3 8361 33.169 32.792 68.144 1.00 0.00 SOLV H ATOM 27113 H2 TIP3 8361 34.628 32.970 67.876 1.00 0.00 SOLV H ATOM 27114 OH2 TIP3 8362 26.949 19.087 66.504 1.00 0.00 SOLV O ATOM 27115 H1 TIP3 8362 26.620 18.166 66.507 1.00 0.00 SOLV H ATOM 27116 H2 TIP3 8362 26.163 19.555 66.874 1.00 0.00 SOLV H ATOM 27117 OH2 TIP3 8363 33.390 32.767 63.336 1.00 0.00 SOLV O ATOM 27118 H1 TIP3 8363 33.314 32.324 62.475 1.00 0.00 SOLV H ATOM 27119 H2 TIP3 8363 33.196 32.012 63.935 1.00 0.00 SOLV H ATOM 27120 OH2 TIP3 8364 29.534 28.190 61.308 1.00 0.00 SOLV O ATOM 27121 H1 TIP3 8364 28.919 28.900 61.037 1.00 0.00 SOLV H ATOM 27122 H2 TIP3 8364 30.187 28.200 60.582 1.00 0.00 SOLV H ATOM 27123 OH2 TIP3 8365 29.639 26.839 57.885 1.00 0.00 SOLV O ATOM 27124 H1 TIP3 8365 30.226 27.103 58.619 1.00 0.00 SOLV H ATOM 27125 H2 TIP3 8365 30.225 26.207 57.417 1.00 0.00 SOLV H ATOM 27126 OH2 TIP3 8366 33.021 28.403 61.957 1.00 0.00 SOLV O ATOM 27127 H1 TIP3 8366 32.341 28.554 62.652 1.00 0.00 SOLV H ATOM 27128 H2 TIP3 8366 33.688 27.894 62.466 1.00 0.00 SOLV H ATOM 27129 OH2 TIP3 8367 24.560 28.972 64.118 1.00 0.00 SOLV O ATOM 27130 H1 TIP3 8367 24.248 28.640 63.246 1.00 0.00 SOLV H ATOM 27131 H2 TIP3 8367 25.117 28.227 64.426 1.00 0.00 SOLV H ATOM 27132 OH2 TIP3 8368 25.767 32.386 66.431 1.00 0.00 SOLV O ATOM 27133 H1 TIP3 8368 25.792 32.490 65.457 1.00 0.00 SOLV H ATOM 27134 H2 TIP3 8368 26.472 31.730 66.608 1.00 0.00 SOLV H ATOM 27135 OH2 TIP3 8369 24.841 27.792 67.502 1.00 0.00 SOLV O ATOM 27136 H1 TIP3 8369 25.223 27.466 66.651 1.00 0.00 SOLV H ATOM 27137 H2 TIP3 8369 25.643 28.057 67.973 1.00 0.00 SOLV H ATOM 27138 OH2 TIP3 8370 31.698 27.709 59.629 1.00 0.00 SOLV O ATOM 27139 H1 TIP3 8370 32.254 28.057 60.361 1.00 0.00 SOLV H ATOM 27140 H2 TIP3 8370 32.238 27.982 58.845 1.00 0.00 SOLV H ATOM 27141 OH2 TIP3 8371 29.749 34.239 63.133 1.00 0.00 SOLV O ATOM 27142 H1 TIP3 8371 29.441 34.790 63.862 1.00 0.00 SOLV H ATOM 27143 H2 TIP3 8371 29.354 34.678 62.364 1.00 0.00 SOLV H ATOM 27144 OH2 TIP3 8372 35.496 19.158 59.560 1.00 0.00 SOLV O ATOM 27145 H1 TIP3 8372 34.610 19.437 59.867 1.00 0.00 SOLV H ATOM 27146 H2 TIP3 8372 35.879 20.014 59.272 1.00 0.00 SOLV H ATOM 27147 OH2 TIP3 8373 23.598 28.154 61.621 1.00 0.00 SOLV O ATOM 27148 H1 TIP3 8373 23.079 28.738 61.030 1.00 0.00 SOLV H ATOM 27149 H2 TIP3 8373 23.263 27.279 61.393 1.00 0.00 SOLV H ATOM 27150 OH2 TIP3 8374 36.719 33.584 58.107 1.00 0.00 SOLV O ATOM 27151 H1 TIP3 8374 36.992 34.528 58.119 1.00 0.00 SOLV H ATOM 27152 H2 TIP3 8374 37.598 33.139 58.108 1.00 0.00 SOLV H ATOM 27153 OH2 TIP3 8375 19.580 33.603 66.950 1.00 0.00 SOLV O ATOM 27154 H1 TIP3 8375 20.146 33.012 67.465 1.00 0.00 SOLV H ATOM 27155 H2 TIP3 8375 18.981 33.980 67.617 1.00 0.00 SOLV H ATOM 27156 OH2 TIP3 8376 29.319 36.954 61.736 1.00 0.00 SOLV O ATOM 27157 H1 TIP3 8376 29.087 37.046 60.795 1.00 0.00 SOLV H ATOM 27158 H2 TIP3 8376 29.013 37.804 62.106 1.00 0.00 SOLV H ATOM 27159 OH2 TIP3 8377 22.648 35.920 63.623 1.00 0.00 SOLV O ATOM 27160 H1 TIP3 8377 22.815 35.576 64.527 1.00 0.00 SOLV H ATOM 27161 H2 TIP3 8377 22.115 35.202 63.238 1.00 0.00 SOLV H ATOM 27162 OH2 TIP3 8378 32.016 36.450 58.491 1.00 0.00 SOLV O ATOM 27163 H1 TIP3 8378 32.560 35.734 58.092 1.00 0.00 SOLV H ATOM 27164 H2 TIP3 8378 32.233 36.353 59.439 1.00 0.00 SOLV H ATOM 27165 OH2 TIP3 8379 31.945 36.304 61.302 1.00 0.00 SOLV O ATOM 27166 H1 TIP3 8379 31.008 36.473 61.539 1.00 0.00 SOLV H ATOM 27167 H2 TIP3 8379 32.122 35.489 61.795 1.00 0.00 SOLV H ATOM 27168 OH2 TIP3 8380 24.705 20.293 67.485 1.00 0.00 SOLV O ATOM 27169 H1 TIP3 8380 23.793 20.326 67.139 1.00 0.00 SOLV H ATOM 27170 H2 TIP3 8380 24.809 21.153 67.935 1.00 0.00 SOLV H ATOM 27171 OH2 TIP3 8381 33.195 28.334 57.479 1.00 0.00 SOLV O ATOM 27172 H1 TIP3 8381 33.094 28.385 56.510 1.00 0.00 SOLV H ATOM 27173 H2 TIP3 8381 34.151 28.529 57.567 1.00 0.00 SOLV H ATOM 27174 OH2 TIP3 8382 28.776 22.375 58.215 1.00 0.00 SOLV O ATOM 27175 H1 TIP3 8382 28.198 22.223 58.989 1.00 0.00 SOLV H ATOM 27176 H2 TIP3 8382 28.413 21.696 57.608 1.00 0.00 SOLV H ATOM 27177 OH2 TIP3 8383 24.281 25.354 68.782 1.00 0.00 SOLV O ATOM 27178 H1 TIP3 8383 23.352 25.482 69.066 1.00 0.00 SOLV H ATOM 27179 H2 TIP3 8383 24.451 26.187 68.294 1.00 0.00 SOLV H ATOM 27180 OH2 TIP3 8384 24.624 25.346 63.588 1.00 0.00 SOLV O ATOM 27181 H1 TIP3 8384 23.659 25.181 63.514 1.00 0.00 SOLV H ATOM 27182 H2 TIP3 8384 24.909 25.092 62.680 1.00 0.00 SOLV H ATOM 27183 OH2 TIP3 8385 30.153 25.715 62.441 1.00 0.00 SOLV O ATOM 27184 H1 TIP3 8385 29.934 26.569 62.014 1.00 0.00 SOLV H ATOM 27185 H2 TIP3 8385 30.835 25.360 61.831 1.00 0.00 SOLV H ATOM 27186 OH2 TIP3 8386 30.977 25.214 65.009 1.00 0.00 SOLV O ATOM 27187 H1 TIP3 8386 30.635 25.610 64.175 1.00 0.00 SOLV H ATOM 27188 H2 TIP3 8386 31.393 24.426 64.602 1.00 0.00 SOLV H ATOM 27189 OH2 TIP3 8387 25.572 22.850 57.016 1.00 0.00 SOLV O ATOM 27190 H1 TIP3 8387 25.242 22.654 57.916 1.00 0.00 SOLV H ATOM 27191 H2 TIP3 8387 24.977 23.575 56.755 1.00 0.00 SOLV H ATOM 27192 OH2 TIP3 8388 18.954 22.503 64.186 1.00 0.00 SOLV O ATOM 27193 H1 TIP3 8388 19.588 22.535 64.930 1.00 0.00 SOLV H ATOM 27194 H2 TIP3 8388 19.486 22.167 63.445 1.00 0.00 SOLV H ATOM 27195 OH2 TIP3 8389 19.782 23.217 59.578 1.00 0.00 SOLV O ATOM 27196 H1 TIP3 8389 20.502 23.583 59.021 1.00 0.00 SOLV H ATOM 27197 H2 TIP3 8389 19.310 24.043 59.781 1.00 0.00 SOLV H ATOM 27198 OH2 TIP3 8390 27.520 22.996 64.607 1.00 0.00 SOLV O ATOM 27199 H1 TIP3 8390 26.614 22.843 64.936 1.00 0.00 SOLV H ATOM 27200 H2 TIP3 8390 28.033 22.318 65.097 1.00 0.00 SOLV H ATOM 27201 OH2 TIP3 8391 22.044 24.487 63.347 1.00 0.00 SOLV O ATOM 27202 H1 TIP3 8391 21.258 24.759 62.821 1.00 0.00 SOLV H ATOM 27203 H2 TIP3 8391 22.223 23.580 63.028 1.00 0.00 SOLV H ATOM 27204 OH2 TIP3 8392 25.284 24.536 61.082 1.00 0.00 SOLV O ATOM 27205 H1 TIP3 8392 26.258 24.476 61.163 1.00 0.00 SOLV H ATOM 27206 H2 TIP3 8392 25.155 24.966 60.207 1.00 0.00 SOLV H ATOM 27207 OH2 TIP3 8393 31.309 22.423 67.835 1.00 0.00 SOLV O ATOM 27208 H1 TIP3 8393 31.293 21.802 68.577 1.00 0.00 SOLV H ATOM 27209 H2 TIP3 8393 30.950 21.881 67.121 1.00 0.00 SOLV H ATOM 27210 OH2 TIP3 8394 24.675 25.653 58.649 1.00 0.00 SOLV O ATOM 27211 H1 TIP3 8394 24.126 25.394 57.889 1.00 0.00 SOLV H ATOM 27212 H2 TIP3 8394 25.452 26.041 58.194 1.00 0.00 SOLV H ATOM 27213 OH2 TIP3 8395 28.392 25.729 66.264 1.00 0.00 SOLV O ATOM 27214 H1 TIP3 8395 29.099 25.473 65.648 1.00 0.00 SOLV H ATOM 27215 H2 TIP3 8395 28.522 25.065 66.955 1.00 0.00 SOLV H ATOM 27216 OH2 TIP3 8396 23.239 21.843 62.999 1.00 0.00 SOLV O ATOM 27217 H1 TIP3 8396 22.612 21.122 63.242 1.00 0.00 SOLV H ATOM 27218 H2 TIP3 8396 23.849 21.350 62.433 1.00 0.00 SOLV H ATOM 27219 OH2 TIP3 8397 27.626 30.182 60.539 1.00 0.00 SOLV O ATOM 27220 H1 TIP3 8397 26.887 29.715 60.095 1.00 0.00 SOLV H ATOM 27221 H2 TIP3 8397 27.221 30.372 61.421 1.00 0.00 SOLV H ATOM 27222 OH2 TIP3 8398 31.367 22.854 58.872 1.00 0.00 SOLV O ATOM 27223 H1 TIP3 8398 30.409 22.811 58.644 1.00 0.00 SOLV H ATOM 27224 H2 TIP3 8398 31.458 23.724 59.305 1.00 0.00 SOLV H ATOM 27225 OH2 TIP3 8399 32.093 25.027 60.557 1.00 0.00 SOLV O ATOM 27226 H1 TIP3 8399 32.993 24.829 60.878 1.00 0.00 SOLV H ATOM 27227 H2 TIP3 8399 32.196 25.916 60.170 1.00 0.00 SOLV H ATOM 27228 OH2 TIP3 8400 23.052 29.654 66.351 1.00 0.00 SOLV O ATOM 27229 H1 TIP3 8400 23.483 29.518 65.483 1.00 0.00 SOLV H ATOM 27230 H2 TIP3 8400 23.582 29.048 66.905 1.00 0.00 SOLV H ATOM 27231 OH2 TIP3 8401 29.729 31.679 59.656 1.00 0.00 SOLV O ATOM 27232 H1 TIP3 8401 29.363 32.585 59.772 1.00 0.00 SOLV H ATOM 27233 H2 TIP3 8401 28.975 31.128 59.961 1.00 0.00 SOLV H ATOM 27234 OH2 TIP3 8402 36.860 25.432 60.193 1.00 0.00 SOLV O ATOM 27235 H1 TIP3 8402 36.381 25.262 59.345 1.00 0.00 SOLV H ATOM 27236 H2 TIP3 8402 37.095 26.371 60.011 1.00 0.00 SOLV H ATOM 27237 OH2 TIP3 8403 35.374 33.981 60.526 1.00 0.00 SOLV O ATOM 27238 H1 TIP3 8403 35.059 33.108 60.784 1.00 0.00 SOLV H ATOM 27239 H2 TIP3 8403 35.808 33.794 59.670 1.00 0.00 SOLV H ATOM 27240 OH2 TIP3 8404 32.535 28.819 67.276 1.00 0.00 SOLV O ATOM 27241 H1 TIP3 8404 31.566 28.711 67.188 1.00 0.00 SOLV H ATOM 27242 H2 TIP3 8404 32.861 28.035 66.788 1.00 0.00 SOLV H ATOM 27243 OH2 TIP3 8405 25.339 33.183 63.785 1.00 0.00 SOLV O ATOM 27244 H1 TIP3 8405 25.507 34.079 63.424 1.00 0.00 SOLV H ATOM 27245 H2 TIP3 8405 24.410 33.065 63.554 1.00 0.00 SOLV H ATOM 27246 OH2 TIP3 8406 21.046 27.824 58.282 1.00 0.00 SOLV O ATOM 27247 H1 TIP3 8406 21.526 28.508 58.801 1.00 0.00 SOLV H ATOM 27248 H2 TIP3 8406 20.171 27.848 58.724 1.00 0.00 SOLV H ATOM 27249 OH2 TIP3 8407 26.312 30.743 62.830 1.00 0.00 SOLV O ATOM 27250 H1 TIP3 8407 26.096 31.618 63.200 1.00 0.00 SOLV H ATOM 27251 H2 TIP3 8407 25.746 30.152 63.363 1.00 0.00 SOLV H ATOM 27252 OH2 TIP3 8408 25.281 35.862 62.719 1.00 0.00 SOLV O ATOM 27253 H1 TIP3 8408 24.350 36.060 62.950 1.00 0.00 SOLV H ATOM 27254 H2 TIP3 8408 25.724 36.686 63.032 1.00 0.00 SOLV H ATOM 27255 OH2 TIP3 8409 33.124 32.037 58.514 1.00 0.00 SOLV O ATOM 27256 H1 TIP3 8409 33.388 31.563 59.334 1.00 0.00 SOLV H ATOM 27257 H2 TIP3 8409 32.186 31.804 58.457 1.00 0.00 SOLV H ATOM 27258 OH2 TIP3 8410 37.361 36.234 58.538 1.00 0.00 SOLV O ATOM 27259 H1 TIP3 8410 37.978 36.961 58.343 1.00 0.00 SOLV H ATOM 27260 H2 TIP3 8410 36.581 36.756 58.822 1.00 0.00 SOLV H ATOM 27261 OH2 TIP3 8411 33.951 30.767 60.828 1.00 0.00 SOLV O ATOM 27262 H1 TIP3 8411 33.553 29.962 61.220 1.00 0.00 SOLV H ATOM 27263 H2 TIP3 8411 34.898 30.497 60.832 1.00 0.00 SOLV H ATOM 27264 OH2 TIP3 8412 26.937 33.020 56.875 1.00 0.00 SOLV O ATOM 27265 H1 TIP3 8412 26.985 32.136 56.462 1.00 0.00 SOLV H ATOM 27266 H2 TIP3 8412 26.426 32.824 57.684 1.00 0.00 SOLV H ATOM 27267 OH2 TIP3 8413 25.646 32.672 59.302 1.00 0.00 SOLV O ATOM 27268 H1 TIP3 8413 26.259 32.163 59.851 1.00 0.00 SOLV H ATOM 27269 H2 TIP3 8413 25.780 33.585 59.644 1.00 0.00 SOLV H ATOM 27270 OH2 TIP3 8414 22.100 29.790 59.881 1.00 0.00 SOLV O ATOM 27271 H1 TIP3 8414 21.392 30.284 60.349 1.00 0.00 SOLV H ATOM 27272 H2 TIP3 8414 22.534 30.529 59.411 1.00 0.00 SOLV H ATOM 27273 OH2 TIP3 8415 31.061 21.763 61.490 1.00 0.00 SOLV O ATOM 27274 H1 TIP3 8415 31.243 22.142 60.608 1.00 0.00 SOLV H ATOM 27275 H2 TIP3 8415 31.483 22.418 62.088 1.00 0.00 SOLV H ATOM 27276 OH2 TIP3 8416 28.671 34.154 60.016 1.00 0.00 SOLV O ATOM 27277 H1 TIP3 8416 27.749 34.466 60.111 1.00 0.00 SOLV H ATOM 27278 H2 TIP3 8416 29.066 34.934 59.589 1.00 0.00 SOLV H ATOM 27279 OH2 TIP3 8417 27.904 24.087 62.104 1.00 0.00 SOLV O ATOM 27280 H1 TIP3 8417 28.692 24.650 62.254 1.00 0.00 SOLV H ATOM 27281 H2 TIP3 8417 27.773 23.718 63.008 1.00 0.00 SOLV H ATOM 27282 OH2 TIP3 8418 28.717 20.870 62.608 1.00 0.00 SOLV O ATOM 27283 H1 TIP3 8418 28.835 21.203 63.516 1.00 0.00 SOLV H ATOM 27284 H2 TIP3 8418 29.559 21.175 62.195 1.00 0.00 SOLV H ATOM 27285 OH2 TIP3 8419 26.159 35.200 60.194 1.00 0.00 SOLV O ATOM 27286 H1 TIP3 8419 26.165 36.059 59.711 1.00 0.00 SOLV H ATOM 27287 H2 TIP3 8419 25.825 35.484 61.074 1.00 0.00 SOLV H ATOM 27288 OH2 TIP3 8420 24.697 22.245 59.553 1.00 0.00 SOLV O ATOM 27289 H1 TIP3 8420 24.655 22.985 60.189 1.00 0.00 SOLV H ATOM 27290 H2 TIP3 8420 25.568 21.869 59.809 1.00 0.00 SOLV H ATOM 27291 OH2 TIP3 8421 33.409 26.440 65.959 1.00 0.00 SOLV O ATOM 27292 H1 TIP3 8421 32.596 25.965 65.695 1.00 0.00 SOLV H ATOM 27293 H2 TIP3 8421 33.896 25.757 66.467 1.00 0.00 SOLV H ATOM 27294 OH2 TIP3 8422 22.991 32.080 58.480 1.00 0.00 SOLV O ATOM 27295 H1 TIP3 8422 23.778 32.507 58.876 1.00 0.00 SOLV H ATOM 27296 H2 TIP3 8422 23.449 31.531 57.805 1.00 0.00 SOLV H ATOM 27297 OH2 TIP3 8423 20.964 25.088 57.960 1.00 0.00 SOLV O ATOM 27298 H1 TIP3 8423 21.203 26.010 58.168 1.00 0.00 SOLV H ATOM 27299 H2 TIP3 8423 20.708 25.145 57.033 1.00 0.00 SOLV H ATOM 27300 OH2 TIP3 8424 34.874 35.726 67.041 1.00 0.00 SOLV O ATOM 27301 H1 TIP3 8424 34.599 36.661 66.919 1.00 0.00 SOLV H ATOM 27302 H2 TIP3 8424 35.748 35.854 67.472 1.00 0.00 SOLV H ATOM 27303 OH2 TIP3 8425 22.047 20.095 66.382 1.00 0.00 SOLV O ATOM 27304 H1 TIP3 8425 22.029 19.925 65.417 1.00 0.00 SOLV H ATOM 27305 H2 TIP3 8425 21.712 19.240 66.725 1.00 0.00 SOLV H ATOM 27306 OH2 TIP3 8426 20.866 33.816 62.270 1.00 0.00 SOLV O ATOM 27307 H1 TIP3 8426 20.236 34.064 62.961 1.00 0.00 SOLV H ATOM 27308 H2 TIP3 8426 20.714 34.514 61.587 1.00 0.00 SOLV H ATOM 27309 OH2 TIP3 8427 29.027 34.815 56.833 1.00 0.00 SOLV O ATOM 27310 H1 TIP3 8427 28.320 34.131 56.884 1.00 0.00 SOLV H ATOM 27311 H2 TIP3 8427 29.792 34.276 56.558 1.00 0.00 SOLV H ATOM 27312 OH2 TIP3 8428 33.404 34.478 57.157 1.00 0.00 SOLV O ATOM 27313 H1 TIP3 8428 33.551 33.675 57.696 1.00 0.00 SOLV H ATOM 27314 H2 TIP3 8428 34.180 34.482 56.563 1.00 0.00 SOLV H ATOM 27315 OH2 TIP3 8429 24.398 30.295 57.046 1.00 0.00 SOLV O ATOM 27316 H1 TIP3 8429 24.743 29.813 57.826 1.00 0.00 SOLV H ATOM 27317 H2 TIP3 8429 25.230 30.390 56.530 1.00 0.00 SOLV H ATOM 27318 OH2 TIP3 8430 30.183 31.709 56.934 1.00 0.00 SOLV O ATOM 27319 H1 TIP3 8430 29.932 31.627 57.876 1.00 0.00 SOLV H ATOM 27320 H2 TIP3 8430 30.083 30.779 56.633 1.00 0.00 SOLV H ATOM 27321 OH2 TIP3 8431 25.585 28.782 59.248 1.00 0.00 SOLV O ATOM 27322 H1 TIP3 8431 25.106 28.252 59.904 1.00 0.00 SOLV H ATOM 27323 H2 TIP3 8431 26.046 28.089 58.727 1.00 0.00 SOLV H ATOM 27324 OH2 TIP3 8432 26.855 26.940 57.604 1.00 0.00 SOLV O ATOM 27325 H1 TIP3 8432 26.914 27.252 56.677 1.00 0.00 SOLV H ATOM 27326 H2 TIP3 8432 27.801 26.739 57.778 1.00 0.00 SOLV H ATOM 27327 OH2 TIP3 8433 35.825 29.033 57.217 1.00 0.00 SOLV O ATOM 27328 H1 TIP3 8433 35.875 28.835 56.261 1.00 0.00 SOLV H ATOM 27329 H2 TIP3 8433 35.702 30.009 57.163 1.00 0.00 SOLV H ATOM 27330 OH2 TIP3 8434 26.696 37.550 58.853 1.00 0.00 SOLV O ATOM 27331 H1 TIP3 8434 27.642 37.309 58.845 1.00 0.00 SOLV H ATOM 27332 H2 TIP3 8434 26.706 38.271 58.192 1.00 0.00 SOLV H ATOM 27333 OH2 TIP3 8435 20.283 32.260 58.080 1.00 0.00 SOLV O ATOM 27334 H1 TIP3 8435 21.255 32.291 58.228 1.00 0.00 SOLV H ATOM 27335 H2 TIP3 8435 20.210 31.500 57.465 1.00 0.00 SOLV H ATOM 27336 OH2 TIP3 8436 19.190 37.478 63.338 1.00 0.00 SOLV O ATOM 27337 H1 TIP3 8436 18.605 37.126 62.632 1.00 0.00 SOLV H ATOM 27338 H2 TIP3 8436 19.345 36.655 63.852 1.00 0.00 SOLV H ATOM 27339 OH2 TIP3 8437 19.733 35.335 64.913 1.00 0.00 SOLV O ATOM 27340 H1 TIP3 8437 19.493 34.572 65.491 1.00 0.00 SOLV H ATOM 27341 H2 TIP3 8437 20.175 35.888 65.577 1.00 0.00 SOLV H ATOM 27342 OH2 TIP3 8438 37.380 35.992 68.203 1.00 0.00 SOLV O ATOM 27343 H1 TIP3 8438 37.477 36.275 69.137 1.00 0.00 SOLV H ATOM 27344 H2 TIP3 8438 38.171 36.392 67.801 1.00 0.00 SOLV H ATOM 27345 OH2 TIP3 8439 36.574 29.974 61.040 1.00 0.00 SOLV O ATOM 27346 H1 TIP3 8439 37.388 30.525 61.001 1.00 0.00 SOLV H ATOM 27347 H2 TIP3 8439 36.794 29.368 61.782 1.00 0.00 SOLV H ATOM 27348 OH2 TIP3 8440 37.067 28.044 62.929 1.00 0.00 SOLV O ATOM 27349 H1 TIP3 8440 36.219 27.646 63.220 1.00 0.00 SOLV H ATOM 27350 H2 TIP3 8440 37.584 28.087 63.760 1.00 0.00 SOLV H ATOM 27351 OH2 TIP3 8441 36.973 30.975 67.955 1.00 0.00 SOLV O ATOM 27352 H1 TIP3 8441 37.540 30.335 67.500 1.00 0.00 SOLV H ATOM 27353 H2 TIP3 8441 37.436 31.820 67.758 1.00 0.00 SOLV H ATOM 27354 OH2 TIP3 8442 37.316 27.985 59.263 1.00 0.00 SOLV O ATOM 27355 H1 TIP3 8442 36.807 28.237 58.459 1.00 0.00 SOLV H ATOM 27356 H2 TIP3 8442 37.007 28.683 59.874 1.00 0.00 SOLV H ATOM 27357 OH2 TIP3 8443 35.658 25.190 57.785 1.00 0.00 SOLV O ATOM 27358 H1 TIP3 8443 35.669 25.641 56.934 1.00 0.00 SOLV H ATOM 27359 H2 TIP3 8443 35.362 24.296 57.500 1.00 0.00 SOLV H ATOM 27360 OH2 TIP3 8444 34.677 26.779 63.489 1.00 0.00 SOLV O ATOM 27361 H1 TIP3 8444 34.677 25.869 63.139 1.00 0.00 SOLV H ATOM 27362 H2 TIP3 8444 34.273 26.667 64.376 1.00 0.00 SOLV H ATOM 27363 OH2 TIP3 8445 19.644 28.772 67.371 1.00 0.00 SOLV O ATOM 27364 H1 TIP3 8445 19.861 28.564 66.437 1.00 0.00 SOLV H ATOM 27365 H2 TIP3 8445 20.521 28.775 67.779 1.00 0.00 SOLV H ATOM 27366 OH2 TIP3 8446 34.861 22.766 56.891 1.00 0.00 SOLV O ATOM 27367 H1 TIP3 8446 35.386 22.152 57.441 1.00 0.00 SOLV H ATOM 27368 H2 TIP3 8446 34.083 22.243 56.642 1.00 0.00 SOLV H ATOM 27369 OH2 TIP3 8447 34.646 24.288 61.824 1.00 0.00 SOLV O ATOM 27370 H1 TIP3 8447 34.865 23.325 61.844 1.00 0.00 SOLV H ATOM 27371 H2 TIP3 8447 35.418 24.622 61.326 1.00 0.00 SOLV H ATOM 27372 OH2 TIP3 8448 35.050 24.538 67.295 1.00 0.00 SOLV O ATOM 27373 H1 TIP3 8448 35.971 24.841 67.418 1.00 0.00 SOLV H ATOM 27374 H2 TIP3 8448 34.918 23.914 68.045 1.00 0.00 SOLV H ATOM 27375 OH2 TIP3 8449 35.113 21.570 61.925 1.00 0.00 SOLV O ATOM 27376 H1 TIP3 8449 35.323 21.129 62.774 1.00 0.00 SOLV H ATOM 27377 H2 TIP3 8449 34.445 20.948 61.565 1.00 0.00 SOLV H ATOM 27378 OH2 TIP3 8450 20.548 22.371 66.474 1.00 0.00 SOLV O ATOM 27379 H1 TIP3 8450 20.973 21.485 66.477 1.00 0.00 SOLV H ATOM 27380 H2 TIP3 8450 21.336 22.921 66.660 1.00 0.00 SOLV H ATOM 27381 OH2 TIP3 8451 18.783 25.401 67.454 1.00 0.00 SOLV O ATOM 27382 H1 TIP3 8451 19.475 25.216 66.787 1.00 0.00 SOLV H ATOM 27383 H2 TIP3 8451 19.003 26.309 67.700 1.00 0.00 SOLV H ATOM 27384 OH2 TIP3 8452 36.741 21.387 58.505 1.00 0.00 SOLV O ATOM 27385 H1 TIP3 8452 37.180 20.803 57.849 1.00 0.00 SOLV H ATOM 27386 H2 TIP3 8452 37.476 21.971 58.784 1.00 0.00 SOLV H ATOM 27387 OH2 TIP3 8453 19.378 21.418 61.560 1.00 0.00 SOLV O ATOM 27388 H1 TIP3 8453 18.408 21.381 61.574 1.00 0.00 SOLV H ATOM 27389 H2 TIP3 8453 19.552 22.124 60.901 1.00 0.00 SOLV H ATOM 27390 OH2 TIP3 8454 34.029 36.053 64.045 1.00 0.00 SOLV O ATOM 27391 H1 TIP3 8454 34.506 36.119 63.187 1.00 0.00 SOLV H ATOM 27392 H2 TIP3 8454 34.293 36.893 64.465 1.00 0.00 SOLV H ATOM 27393 OH2 TIP3 8455 29.431 37.823 68.010 1.00 0.00 SOLV O ATOM 27394 H1 TIP3 8455 28.526 37.744 67.666 1.00 0.00 SOLV H ATOM 27395 H2 TIP3 8455 29.353 37.557 68.935 1.00 0.00 SOLV H ATOM 27396 OH2 TIP3 8456 21.335 36.446 67.097 1.00 0.00 SOLV O ATOM 27397 H1 TIP3 8456 20.804 35.834 67.630 1.00 0.00 SOLV H ATOM 27398 H2 TIP3 8456 22.065 35.867 66.779 1.00 0.00 SOLV H ATOM 27399 OH2 TIP3 8457 23.306 34.889 66.087 1.00 0.00 SOLV O ATOM 27400 H1 TIP3 8457 23.155 33.964 66.398 1.00 0.00 SOLV H ATOM 27401 H2 TIP3 8457 24.244 35.021 66.336 1.00 0.00 SOLV H ATOM 27402 OH2 TIP3 8458 25.984 35.093 66.986 1.00 0.00 SOLV O ATOM 27403 H1 TIP3 8458 26.051 34.165 66.680 1.00 0.00 SOLV H ATOM 27404 H2 TIP3 8458 26.287 34.980 67.897 1.00 0.00 SOLV H ATOM 27405 OH2 TIP3 8459 29.114 20.982 65.588 1.00 0.00 SOLV O ATOM 27406 H1 TIP3 8459 28.654 20.297 66.112 1.00 0.00 SOLV H ATOM 27407 H2 TIP3 8459 30.005 20.591 65.516 1.00 0.00 SOLV H ATOM 27408 OH2 TIP3 8460 34.360 19.144 66.048 1.00 0.00 SOLV O ATOM 27409 H1 TIP3 8460 34.947 19.676 65.469 1.00 0.00 SOLV H ATOM 27410 H2 TIP3 8460 33.474 19.434 65.764 1.00 0.00 SOLV H ATOM 27411 OH2 TIP3 8461 36.050 20.367 64.242 1.00 0.00 SOLV O ATOM 27412 H1 TIP3 8461 36.764 19.758 63.954 1.00 0.00 SOLV H ATOM 27413 H2 TIP3 8461 36.571 21.194 64.361 1.00 0.00 SOLV H ATOM 27414 OH2 TIP3 8462 21.691 19.701 63.645 1.00 0.00 SOLV O ATOM 27415 H1 TIP3 8462 20.756 19.504 63.415 1.00 0.00 SOLV H ATOM 27416 H2 TIP3 8462 22.083 18.805 63.533 1.00 0.00 SOLV H ATOM 27417 OH2 TIP3 8463 20.304 19.660 59.500 1.00 0.00 SOLV O ATOM 27418 H1 TIP3 8463 21.005 20.167 59.058 1.00 0.00 SOLV H ATOM 27419 H2 TIP3 8463 20.138 20.192 60.304 1.00 0.00 SOLV H ATOM 27420 OH2 TIP3 8464 26.337 19.465 63.691 1.00 0.00 SOLV O ATOM 27421 H1 TIP3 8464 27.127 19.817 63.253 1.00 0.00 SOLV H ATOM 27422 H2 TIP3 8464 26.601 19.473 64.628 1.00 0.00 SOLV H ATOM 27423 OH2 TIP3 8465 31.747 19.847 65.101 1.00 0.00 SOLV O ATOM 27424 H1 TIP3 8465 32.018 19.528 64.228 1.00 0.00 SOLV H ATOM 27425 H2 TIP3 8465 31.290 19.038 65.437 1.00 0.00 SOLV H ATOM 27426 OH2 TIP3 8466 33.134 19.836 60.969 1.00 0.00 SOLV O ATOM 27427 H1 TIP3 8466 32.316 20.360 61.041 1.00 0.00 SOLV H ATOM 27428 H2 TIP3 8466 32.777 18.939 61.156 1.00 0.00 SOLV H ATOM 27429 OH2 TIP3 8467 20.527 35.799 60.434 1.00 0.00 SOLV O ATOM 27430 H1 TIP3 8467 19.731 35.722 59.874 1.00 0.00 SOLV H ATOM 27431 H2 TIP3 8467 20.716 36.751 60.301 1.00 0.00 SOLV H ATOM 27432 OH2 TIP3 8468 22.591 21.345 57.915 1.00 0.00 SOLV O ATOM 27433 H1 TIP3 8468 23.075 20.697 57.363 1.00 0.00 SOLV H ATOM 27434 H2 TIP3 8468 23.285 21.608 58.555 1.00 0.00 SOLV H ATOM 27435 OH2 TIP3 8469 27.279 21.957 60.480 1.00 0.00 SOLV O ATOM 27436 H1 TIP3 8469 27.591 21.239 61.060 1.00 0.00 SOLV H ATOM 27437 H2 TIP3 8469 27.560 22.726 61.022 1.00 0.00 SOLV H ATOM 27438 OH2 TIP3 8470 29.296 36.649 58.840 1.00 0.00 SOLV O ATOM 27439 H1 TIP3 8470 30.259 36.810 58.738 1.00 0.00 SOLV H ATOM 27440 H2 TIP3 8470 29.144 36.135 58.013 1.00 0.00 SOLV H ATOM 27441 OH2 TIP3 8471 35.684 36.362 61.845 1.00 0.00 SOLV O ATOM 27442 H1 TIP3 8471 35.646 35.481 61.408 1.00 0.00 SOLV H ATOM 27443 H2 TIP3 8471 35.656 36.947 61.062 1.00 0.00 SOLV H ATOM 27444 OH2 TIP3 8472 22.250 36.366 57.223 1.00 0.00 SOLV O ATOM 27445 H1 TIP3 8472 22.126 36.350 58.182 1.00 0.00 SOLV H ATOM 27446 H2 TIP3 8472 23.061 35.811 57.119 1.00 0.00 SOLV H ATOM 27447 OH2 TIP3 8473 49.694 28.963 63.610 1.00 0.00 SOLV O ATOM 27448 H1 TIP3 8473 49.622 29.931 63.477 1.00 0.00 SOLV H ATOM 27449 H2 TIP3 8473 49.086 28.652 62.913 1.00 0.00 SOLV H ATOM 27450 OH2 TIP3 8474 48.609 28.209 67.232 1.00 0.00 SOLV O ATOM 27451 H1 TIP3 8474 48.684 27.411 67.777 1.00 0.00 SOLV H ATOM 27452 H2 TIP3 8474 48.359 27.845 66.373 1.00 0.00 SOLV H ATOM 27453 OH2 TIP3 8475 52.337 31.024 65.400 1.00 0.00 SOLV O ATOM 27454 H1 TIP3 8475 52.014 30.347 66.012 1.00 0.00 SOLV H ATOM 27455 H2 TIP3 8475 52.504 31.770 66.018 1.00 0.00 SOLV H ATOM 27456 OH2 TIP3 8476 41.860 32.322 66.942 1.00 0.00 SOLV O ATOM 27457 H1 TIP3 8476 41.626 31.389 66.795 1.00 0.00 SOLV H ATOM 27458 H2 TIP3 8476 42.836 32.271 66.842 1.00 0.00 SOLV H ATOM 27459 OH2 TIP3 8477 38.613 25.660 62.321 1.00 0.00 SOLV O ATOM 27460 H1 TIP3 8477 38.207 26.513 62.548 1.00 0.00 SOLV H ATOM 27461 H2 TIP3 8477 38.035 25.392 61.582 1.00 0.00 SOLV H ATOM 27462 OH2 TIP3 8478 39.006 27.941 64.848 1.00 0.00 SOLV O ATOM 27463 H1 TIP3 8478 39.361 27.042 65.027 1.00 0.00 SOLV H ATOM 27464 H2 TIP3 8478 39.770 28.384 64.450 1.00 0.00 SOLV H ATOM 27465 OH2 TIP3 8479 49.634 36.505 65.853 1.00 0.00 SOLV O ATOM 27466 H1 TIP3 8479 49.969 35.704 65.405 1.00 0.00 SOLV H ATOM 27467 H2 TIP3 8479 49.367 36.171 66.717 1.00 0.00 SOLV H ATOM 27468 OH2 TIP3 8480 46.636 30.750 67.687 1.00 0.00 SOLV O ATOM 27469 H1 TIP3 8480 47.005 30.016 67.172 1.00 0.00 SOLV H ATOM 27470 H2 TIP3 8480 47.439 30.981 68.206 1.00 0.00 SOLV H ATOM 27471 OH2 TIP3 8481 55.860 22.373 68.201 1.00 0.00 SOLV O ATOM 27472 H1 TIP3 8481 56.455 22.453 68.950 1.00 0.00 SOLV H ATOM 27473 H2 TIP3 8481 56.505 22.265 67.481 1.00 0.00 SOLV H ATOM 27474 OH2 TIP3 8482 49.512 25.153 67.900 1.00 0.00 SOLV O ATOM 27475 H1 TIP3 8482 49.849 24.245 68.073 1.00 0.00 SOLV H ATOM 27476 H2 TIP3 8482 49.774 25.241 66.966 1.00 0.00 SOLV H ATOM 27477 OH2 TIP3 8483 43.563 23.014 65.049 1.00 0.00 SOLV O ATOM 27478 H1 TIP3 8483 43.634 23.864 64.565 1.00 0.00 SOLV H ATOM 27479 H2 TIP3 8483 43.107 22.472 64.368 1.00 0.00 SOLV H ATOM 27480 OH2 TIP3 8484 51.264 23.398 63.357 1.00 0.00 SOLV O ATOM 27481 H1 TIP3 8484 51.722 22.989 64.130 1.00 0.00 SOLV H ATOM 27482 H2 TIP3 8484 52.034 23.743 62.869 1.00 0.00 SOLV H ATOM 27483 OH2 TIP3 8485 39.925 25.499 65.709 1.00 0.00 SOLV O ATOM 27484 H1 TIP3 8485 40.584 24.998 66.230 1.00 0.00 SOLV H ATOM 27485 H2 TIP3 8485 40.139 25.135 64.820 1.00 0.00 SOLV H ATOM 27486 OH2 TIP3 8486 44.948 26.834 65.333 1.00 0.00 SOLV O ATOM 27487 H1 TIP3 8486 45.786 26.369 65.558 1.00 0.00 SOLV H ATOM 27488 H2 TIP3 8486 44.544 26.206 64.692 1.00 0.00 SOLV H ATOM 27489 OH2 TIP3 8487 49.381 31.496 62.502 1.00 0.00 SOLV O ATOM 27490 H1 TIP3 8487 49.129 31.648 61.580 1.00 0.00 SOLV H ATOM 27491 H2 TIP3 8487 48.954 32.273 62.932 1.00 0.00 SOLV H ATOM 27492 OH2 TIP3 8488 52.644 22.701 65.561 1.00 0.00 SOLV O ATOM 27493 H1 TIP3 8488 52.258 22.214 66.300 1.00 0.00 SOLV H ATOM 27494 H2 TIP3 8488 53.286 23.278 66.019 1.00 0.00 SOLV H ATOM 27495 OH2 TIP3 8489 41.718 23.783 66.914 1.00 0.00 SOLV O ATOM 27496 H1 TIP3 8489 42.363 24.014 67.612 1.00 0.00 SOLV H ATOM 27497 H2 TIP3 8489 42.337 23.435 66.232 1.00 0.00 SOLV H ATOM 27498 OH2 TIP3 8490 38.919 31.421 60.900 1.00 0.00 SOLV O ATOM 27499 H1 TIP3 8490 38.989 31.948 60.082 1.00 0.00 SOLV H ATOM 27500 H2 TIP3 8490 39.305 32.021 61.561 1.00 0.00 SOLV H ATOM 27501 OH2 TIP3 8491 52.540 33.129 67.096 1.00 0.00 SOLV O ATOM 27502 H1 TIP3 8491 51.676 33.374 67.465 1.00 0.00 SOLV H ATOM 27503 H2 TIP3 8491 53.036 33.966 67.189 1.00 0.00 SOLV H ATOM 27504 OH2 TIP3 8492 45.839 19.203 66.503 1.00 0.00 SOLV O ATOM 27505 H1 TIP3 8492 45.556 18.272 66.450 1.00 0.00 SOLV H ATOM 27506 H2 TIP3 8492 45.016 19.619 66.857 1.00 0.00 SOLV H ATOM 27507 OH2 TIP3 8493 50.907 34.830 63.933 1.00 0.00 SOLV O ATOM 27508 H1 TIP3 8493 51.350 33.966 63.758 1.00 0.00 SOLV H ATOM 27509 H2 TIP3 8493 51.691 35.421 63.949 1.00 0.00 SOLV H ATOM 27510 OH2 TIP3 8494 52.191 32.570 63.130 1.00 0.00 SOLV O ATOM 27511 H1 TIP3 8494 51.631 31.992 62.593 1.00 0.00 SOLV H ATOM 27512 H2 TIP3 8494 52.359 31.990 63.906 1.00 0.00 SOLV H ATOM 27513 OH2 TIP3 8495 48.400 28.136 61.344 1.00 0.00 SOLV O ATOM 27514 H1 TIP3 8495 47.722 28.818 61.135 1.00 0.00 SOLV H ATOM 27515 H2 TIP3 8495 49.010 28.227 60.591 1.00 0.00 SOLV H ATOM 27516 OH2 TIP3 8496 48.481 26.856 57.884 1.00 0.00 SOLV O ATOM 27517 H1 TIP3 8496 49.041 27.110 58.641 1.00 0.00 SOLV H ATOM 27518 H2 TIP3 8496 49.071 26.214 57.440 1.00 0.00 SOLV H ATOM 27519 OH2 TIP3 8497 51.863 28.398 61.980 1.00 0.00 SOLV O ATOM 27520 H1 TIP3 8497 51.189 28.576 62.675 1.00 0.00 SOLV H ATOM 27521 H2 TIP3 8497 52.537 27.919 62.507 1.00 0.00 SOLV H ATOM 27522 OH2 TIP3 8498 43.316 28.914 64.199 1.00 0.00 SOLV O ATOM 27523 H1 TIP3 8498 43.041 28.687 63.281 1.00 0.00 SOLV H ATOM 27524 H2 TIP3 8498 43.916 28.172 64.408 1.00 0.00 SOLV H ATOM 27525 OH2 TIP3 8499 44.528 32.161 66.362 1.00 0.00 SOLV O ATOM 27526 H1 TIP3 8499 44.692 32.067 65.411 1.00 0.00 SOLV H ATOM 27527 H2 TIP3 8499 45.291 31.687 66.750 1.00 0.00 SOLV H ATOM 27528 OH2 TIP3 8500 43.761 27.693 67.595 1.00 0.00 SOLV O ATOM 27529 H1 TIP3 8500 44.216 27.467 66.746 1.00 0.00 SOLV H ATOM 27530 H2 TIP3 8500 44.048 28.608 67.746 1.00 0.00 SOLV H ATOM 27531 OH2 TIP3 8501 50.067 33.629 68.560 1.00 0.00 SOLV O ATOM 27532 H1 TIP3 8501 50.795 33.848 69.191 1.00 0.00 SOLV H ATOM 27533 H2 TIP3 8501 49.828 32.729 68.832 1.00 0.00 SOLV H ATOM 27534 OH2 TIP3 8502 50.587 27.642 59.650 1.00 0.00 SOLV O ATOM 27535 H1 TIP3 8502 51.098 28.031 60.395 1.00 0.00 SOLV H ATOM 27536 H2 TIP3 8502 51.130 27.947 58.881 1.00 0.00 SOLV H ATOM 27537 OH2 TIP3 8503 48.435 33.923 63.284 1.00 0.00 SOLV O ATOM 27538 H1 TIP3 8503 49.289 34.333 63.538 1.00 0.00 SOLV H ATOM 27539 H2 TIP3 8503 47.935 34.668 62.936 1.00 0.00 SOLV H ATOM 27540 OH2 TIP3 8504 54.346 19.169 59.545 1.00 0.00 SOLV O ATOM 27541 H1 TIP3 8504 53.471 19.464 59.870 1.00 0.00 SOLV H ATOM 27542 H2 TIP3 8504 54.744 20.026 59.283 1.00 0.00 SOLV H ATOM 27543 OH2 TIP3 8505 42.537 28.160 61.619 1.00 0.00 SOLV O ATOM 27544 H1 TIP3 8505 42.111 28.912 61.159 1.00 0.00 SOLV H ATOM 27545 H2 TIP3 8505 42.055 27.416 61.240 1.00 0.00 SOLV H ATOM 27546 OH2 TIP3 8506 55.548 33.653 58.086 1.00 0.00 SOLV O ATOM 27547 H1 TIP3 8506 55.777 34.605 58.117 1.00 0.00 SOLV H ATOM 27548 H2 TIP3 8506 56.438 33.239 58.082 1.00 0.00 SOLV H ATOM 27549 OH2 TIP3 8507 38.475 33.234 67.478 1.00 0.00 SOLV O ATOM 27550 H1 TIP3 8507 39.424 33.320 67.311 1.00 0.00 SOLV H ATOM 27551 H2 TIP3 8507 38.190 34.157 67.604 1.00 0.00 SOLV H ATOM 27552 OH2 TIP3 8508 48.192 37.305 61.538 1.00 0.00 SOLV O ATOM 27553 H1 TIP3 8508 47.824 36.989 60.693 1.00 0.00 SOLV H ATOM 27554 H2 TIP3 8508 48.370 38.234 61.346 1.00 0.00 SOLV H ATOM 27555 OH2 TIP3 8509 41.472 35.956 63.678 1.00 0.00 SOLV O ATOM 27556 H1 TIP3 8509 41.723 35.577 64.545 1.00 0.00 SOLV H ATOM 27557 H2 TIP3 8509 40.892 35.249 63.325 1.00 0.00 SOLV H ATOM 27558 OH2 TIP3 8510 50.778 36.424 58.498 1.00 0.00 SOLV O ATOM 27559 H1 TIP3 8510 51.347 35.741 58.079 1.00 0.00 SOLV H ATOM 27560 H2 TIP3 8510 50.976 36.291 59.449 1.00 0.00 SOLV H ATOM 27561 OH2 TIP3 8511 50.724 36.264 61.302 1.00 0.00 SOLV O ATOM 27562 H1 TIP3 8511 49.795 36.501 61.505 1.00 0.00 SOLV H ATOM 27563 H2 TIP3 8511 50.913 35.623 62.008 1.00 0.00 SOLV H ATOM 27564 OH2 TIP3 8512 43.549 20.268 67.507 1.00 0.00 SOLV O ATOM 27565 H1 TIP3 8512 42.646 20.321 67.137 1.00 0.00 SOLV H ATOM 27566 H2 TIP3 8512 43.666 21.137 67.939 1.00 0.00 SOLV H ATOM 27567 OH2 TIP3 8513 52.089 28.304 57.523 1.00 0.00 SOLV O ATOM 27568 H1 TIP3 8513 52.001 28.331 56.552 1.00 0.00 SOLV H ATOM 27569 H2 TIP3 8513 53.026 28.568 57.627 1.00 0.00 SOLV H ATOM 27570 OH2 TIP3 8514 47.661 22.308 58.233 1.00 0.00 SOLV O ATOM 27571 H1 TIP3 8514 47.065 22.183 58.999 1.00 0.00 SOLV H ATOM 27572 H2 TIP3 8514 47.254 21.673 57.610 1.00 0.00 SOLV H ATOM 27573 OH2 TIP3 8515 43.177 25.256 68.735 1.00 0.00 SOLV O ATOM 27574 H1 TIP3 8515 42.329 25.717 68.806 1.00 0.00 SOLV H ATOM 27575 H2 TIP3 8515 43.679 25.964 68.281 1.00 0.00 SOLV H ATOM 27576 OH2 TIP3 8516 43.496 25.303 63.600 1.00 0.00 SOLV O ATOM 27577 H1 TIP3 8516 42.525 25.216 63.494 1.00 0.00 SOLV H ATOM 27578 H2 TIP3 8516 43.781 25.073 62.686 1.00 0.00 SOLV H ATOM 27579 OH2 TIP3 8517 49.012 25.690 62.445 1.00 0.00 SOLV O ATOM 27580 H1 TIP3 8517 48.796 26.563 62.049 1.00 0.00 SOLV H ATOM 27581 H2 TIP3 8517 49.685 25.353 61.818 1.00 0.00 SOLV H ATOM 27582 OH2 TIP3 8518 49.804 25.209 65.015 1.00 0.00 SOLV O ATOM 27583 H1 TIP3 8518 49.491 25.625 64.180 1.00 0.00 SOLV H ATOM 27584 H2 TIP3 8518 50.217 24.419 64.610 1.00 0.00 SOLV H ATOM 27585 OH2 TIP3 8519 44.516 22.882 56.952 1.00 0.00 SOLV O ATOM 27586 H1 TIP3 8519 44.101 22.753 57.829 1.00 0.00 SOLV H ATOM 27587 H2 TIP3 8519 43.931 23.573 56.574 1.00 0.00 SOLV H ATOM 27588 OH2 TIP3 8520 37.755 22.463 64.258 1.00 0.00 SOLV O ATOM 27589 H1 TIP3 8520 38.450 22.520 64.939 1.00 0.00 SOLV H ATOM 27590 H2 TIP3 8520 38.242 22.248 63.443 1.00 0.00 SOLV H ATOM 27591 OH2 TIP3 8521 38.608 23.242 59.563 1.00 0.00 SOLV O ATOM 27592 H1 TIP3 8521 39.323 23.646 59.021 1.00 0.00 SOLV H ATOM 27593 H2 TIP3 8521 38.084 24.044 59.742 1.00 0.00 SOLV H ATOM 27594 OH2 TIP3 8522 46.367 22.801 64.475 1.00 0.00 SOLV O ATOM 27595 H1 TIP3 8522 45.471 22.801 64.864 1.00 0.00 SOLV H ATOM 27596 H2 TIP3 8522 46.891 22.336 65.161 1.00 0.00 SOLV H ATOM 27597 OH2 TIP3 8523 40.868 24.498 63.355 1.00 0.00 SOLV O ATOM 27598 H1 TIP3 8523 40.085 24.789 62.830 1.00 0.00 SOLV H ATOM 27599 H2 TIP3 8523 41.058 23.612 62.991 1.00 0.00 SOLV H ATOM 27600 OH2 TIP3 8524 44.159 24.504 61.094 1.00 0.00 SOLV O ATOM 27601 H1 TIP3 8524 45.134 24.508 61.135 1.00 0.00 SOLV H ATOM 27602 H2 TIP3 8524 43.976 24.951 60.233 1.00 0.00 SOLV H ATOM 27603 OH2 TIP3 8525 50.179 22.444 67.770 1.00 0.00 SOLV O ATOM 27604 H1 TIP3 8525 50.248 21.853 68.532 1.00 0.00 SOLV H ATOM 27605 H2 TIP3 8525 49.677 21.912 67.135 1.00 0.00 SOLV H ATOM 27606 OH2 TIP3 8526 43.566 25.518 58.663 1.00 0.00 SOLV O ATOM 27607 H1 TIP3 8526 42.939 25.340 57.945 1.00 0.00 SOLV H ATOM 27608 H2 TIP3 8526 44.296 25.957 58.175 1.00 0.00 SOLV H ATOM 27609 OH2 TIP3 8527 47.256 25.597 66.253 1.00 0.00 SOLV O ATOM 27610 H1 TIP3 8527 47.990 25.428 65.636 1.00 0.00 SOLV H ATOM 27611 H2 TIP3 8527 47.604 25.155 67.044 1.00 0.00 SOLV H ATOM 27612 OH2 TIP3 8528 42.105 21.865 62.984 1.00 0.00 SOLV O ATOM 27613 H1 TIP3 8528 41.511 21.115 63.219 1.00 0.00 SOLV H ATOM 27614 H2 TIP3 8528 42.596 21.483 62.245 1.00 0.00 SOLV H ATOM 27615 OH2 TIP3 8529 46.534 30.074 60.769 1.00 0.00 SOLV O ATOM 27616 H1 TIP3 8529 45.746 29.859 60.231 1.00 0.00 SOLV H ATOM 27617 H2 TIP3 8529 46.115 30.402 61.595 1.00 0.00 SOLV H ATOM 27618 OH2 TIP3 8530 50.243 22.861 58.844 1.00 0.00 SOLV O ATOM 27619 H1 TIP3 8530 49.278 22.804 58.646 1.00 0.00 SOLV H ATOM 27620 H2 TIP3 8530 50.326 23.713 59.316 1.00 0.00 SOLV H ATOM 27621 OH2 TIP3 8531 50.935 24.998 60.548 1.00 0.00 SOLV O ATOM 27622 H1 TIP3 8531 51.833 24.848 60.904 1.00 0.00 SOLV H ATOM 27623 H2 TIP3 8531 50.990 25.912 60.207 1.00 0.00 SOLV H ATOM 27624 OH2 TIP3 8532 41.664 29.476 66.389 1.00 0.00 SOLV O ATOM 27625 H1 TIP3 8532 42.103 29.487 65.512 1.00 0.00 SOLV H ATOM 27626 H2 TIP3 8532 42.240 28.856 66.860 1.00 0.00 SOLV H ATOM 27627 OH2 TIP3 8533 48.486 31.641 59.551 1.00 0.00 SOLV O ATOM 27628 H1 TIP3 8533 48.165 32.562 59.705 1.00 0.00 SOLV H ATOM 27629 H2 TIP3 8533 47.742 31.122 59.926 1.00 0.00 SOLV H ATOM 27630 OH2 TIP3 8534 55.727 25.423 60.168 1.00 0.00 SOLV O ATOM 27631 H1 TIP3 8534 55.271 25.245 59.311 1.00 0.00 SOLV H ATOM 27632 H2 TIP3 8534 55.926 26.374 60.013 1.00 0.00 SOLV H ATOM 27633 OH2 TIP3 8535 54.358 33.963 60.665 1.00 0.00 SOLV O ATOM 27634 H1 TIP3 8535 53.778 33.257 60.985 1.00 0.00 SOLV H ATOM 27635 H2 TIP3 8535 54.602 33.661 59.772 1.00 0.00 SOLV H ATOM 27636 OH2 TIP3 8536 51.381 28.786 67.314 1.00 0.00 SOLV O ATOM 27637 H1 TIP3 8536 50.420 28.717 67.160 1.00 0.00 SOLV H ATOM 27638 H2 TIP3 8536 51.725 28.040 66.781 1.00 0.00 SOLV H ATOM 27639 OH2 TIP3 8537 39.913 27.826 58.289 1.00 0.00 SOLV O ATOM 27640 H1 TIP3 8537 40.387 28.525 58.796 1.00 0.00 SOLV H ATOM 27641 H2 TIP3 8537 39.017 27.904 58.684 1.00 0.00 SOLV H ATOM 27642 OH2 TIP3 8538 45.075 30.851 63.041 1.00 0.00 SOLV O ATOM 27643 H1 TIP3 8538 44.389 31.383 62.587 1.00 0.00 SOLV H ATOM 27644 H2 TIP3 8538 44.524 30.210 63.519 1.00 0.00 SOLV H ATOM 27645 OH2 TIP3 8539 44.100 36.274 62.385 1.00 0.00 SOLV O ATOM 27646 H1 TIP3 8539 43.236 36.028 62.757 1.00 0.00 SOLV H ATOM 27647 H2 TIP3 8539 44.299 37.094 62.869 1.00 0.00 SOLV H ATOM 27648 OH2 TIP3 8540 51.971 32.055 58.459 1.00 0.00 SOLV O ATOM 27649 H1 TIP3 8540 52.257 31.526 59.243 1.00 0.00 SOLV H ATOM 27650 H2 TIP3 8540 51.021 31.864 58.453 1.00 0.00 SOLV H ATOM 27651 OH2 TIP3 8541 56.211 36.432 58.445 1.00 0.00 SOLV O ATOM 27652 H1 TIP3 8541 56.763 37.216 58.603 1.00 0.00 SOLV H ATOM 27653 H2 TIP3 8541 55.533 36.832 57.848 1.00 0.00 SOLV H ATOM 27654 OH2 TIP3 8542 52.847 30.574 60.569 1.00 0.00 SOLV O ATOM 27655 H1 TIP3 8542 52.442 29.877 61.124 1.00 0.00 SOLV H ATOM 27656 H2 TIP3 8542 53.797 30.392 60.728 1.00 0.00 SOLV H ATOM 27657 OH2 TIP3 8543 45.790 32.973 56.870 1.00 0.00 SOLV O ATOM 27658 H1 TIP3 8543 45.801 32.076 56.485 1.00 0.00 SOLV H ATOM 27659 H2 TIP3 8543 45.382 32.787 57.747 1.00 0.00 SOLV H ATOM 27660 OH2 TIP3 8544 44.634 32.676 59.291 1.00 0.00 SOLV O ATOM 27661 H1 TIP3 8544 44.067 32.366 60.031 1.00 0.00 SOLV H ATOM 27662 H2 TIP3 8544 44.753 33.609 59.563 1.00 0.00 SOLV H ATOM 27663 OH2 TIP3 8545 40.978 29.756 59.925 1.00 0.00 SOLV O ATOM 27664 H1 TIP3 8545 40.269 30.236 60.396 1.00 0.00 SOLV H ATOM 27665 H2 TIP3 8545 41.603 30.497 59.812 1.00 0.00 SOLV H ATOM 27666 OH2 TIP3 8546 49.941 21.710 61.508 1.00 0.00 SOLV O ATOM 27667 H1 TIP3 8546 50.089 22.128 60.638 1.00 0.00 SOLV H ATOM 27668 H2 TIP3 8546 50.341 22.364 62.121 1.00 0.00 SOLV H ATOM 27669 OH2 TIP3 8547 47.617 34.158 59.935 1.00 0.00 SOLV O ATOM 27670 H1 TIP3 8547 46.662 34.307 60.082 1.00 0.00 SOLV H ATOM 27671 H2 TIP3 8547 47.866 35.031 59.590 1.00 0.00 SOLV H ATOM 27672 OH2 TIP3 8548 46.808 24.049 62.068 1.00 0.00 SOLV O ATOM 27673 H1 TIP3 8548 47.571 24.642 62.235 1.00 0.00 SOLV H ATOM 27674 H2 TIP3 8548 46.646 23.696 62.971 1.00 0.00 SOLV H ATOM 27675 OH2 TIP3 8549 47.569 20.728 62.587 1.00 0.00 SOLV O ATOM 27676 H1 TIP3 8549 47.491 21.351 63.331 1.00 0.00 SOLV H ATOM 27677 H2 TIP3 8549 48.426 21.022 62.199 1.00 0.00 SOLV H ATOM 27678 OH2 TIP3 8550 45.106 35.249 60.059 1.00 0.00 SOLV O ATOM 27679 H1 TIP3 8550 45.033 36.129 59.634 1.00 0.00 SOLV H ATOM 27680 H2 TIP3 8550 44.730 35.467 60.945 1.00 0.00 SOLV H ATOM 27681 OH2 TIP3 8551 43.559 22.255 59.508 1.00 0.00 SOLV O ATOM 27682 H1 TIP3 8551 43.516 23.033 60.098 1.00 0.00 SOLV H ATOM 27683 H2 TIP3 8551 44.433 21.902 59.777 1.00 0.00 SOLV H ATOM 27684 OH2 TIP3 8552 52.272 26.433 65.946 1.00 0.00 SOLV O ATOM 27685 H1 TIP3 8552 51.477 25.919 65.706 1.00 0.00 SOLV H ATOM 27686 H2 TIP3 8552 52.790 25.787 66.480 1.00 0.00 SOLV H ATOM 27687 OH2 TIP3 8553 41.775 32.279 58.410 1.00 0.00 SOLV O ATOM 27688 H1 TIP3 8553 42.254 32.470 59.243 1.00 0.00 SOLV H ATOM 27689 H2 TIP3 8553 42.441 31.756 57.920 1.00 0.00 SOLV H ATOM 27690 OH2 TIP3 8554 39.920 25.079 58.016 1.00 0.00 SOLV O ATOM 27691 H1 TIP3 8554 39.991 26.043 58.160 1.00 0.00 SOLV H ATOM 27692 H2 TIP3 8554 39.610 25.023 57.103 1.00 0.00 SOLV H ATOM 27693 OH2 TIP3 8555 53.603 35.637 67.563 1.00 0.00 SOLV O ATOM 27694 H1 TIP3 8555 53.360 36.488 67.147 1.00 0.00 SOLV H ATOM 27695 H2 TIP3 8555 54.564 35.773 67.704 1.00 0.00 SOLV H ATOM 27696 OH2 TIP3 8556 40.921 20.101 66.377 1.00 0.00 SOLV O ATOM 27697 H1 TIP3 8556 40.895 19.954 65.407 1.00 0.00 SOLV H ATOM 27698 H2 TIP3 8556 40.581 19.241 66.701 1.00 0.00 SOLV H ATOM 27699 OH2 TIP3 8557 39.914 33.932 62.544 1.00 0.00 SOLV O ATOM 27700 H1 TIP3 8557 39.709 34.524 61.778 1.00 0.00 SOLV H ATOM 27701 H2 TIP3 8557 40.716 33.454 62.254 1.00 0.00 SOLV H ATOM 27702 OH2 TIP3 8558 47.838 34.742 56.812 1.00 0.00 SOLV O ATOM 27703 H1 TIP3 8558 47.047 34.152 56.878 1.00 0.00 SOLV H ATOM 27704 H2 TIP3 8558 48.539 34.075 56.867 1.00 0.00 SOLV H ATOM 27705 OH2 TIP3 8559 52.127 34.445 57.073 1.00 0.00 SOLV O ATOM 27706 H1 TIP3 8559 52.212 33.633 57.618 1.00 0.00 SOLV H ATOM 27707 H2 TIP3 8559 53.028 34.561 56.723 1.00 0.00 SOLV H ATOM 27708 OH2 TIP3 8560 43.320 30.389 57.110 1.00 0.00 SOLV O ATOM 27709 H1 TIP3 8560 43.620 29.901 57.906 1.00 0.00 SOLV H ATOM 27710 H2 TIP3 8560 44.157 30.420 56.605 1.00 0.00 SOLV H ATOM 27711 OH2 TIP3 8561 49.071 31.819 56.862 1.00 0.00 SOLV O ATOM 27712 H1 TIP3 8561 48.787 31.740 57.799 1.00 0.00 SOLV H ATOM 27713 H2 TIP3 8561 48.971 30.882 56.582 1.00 0.00 SOLV H ATOM 27714 OH2 TIP3 8562 44.429 28.829 59.224 1.00 0.00 SOLV O ATOM 27715 H1 TIP3 8562 43.955 28.362 59.929 1.00 0.00 SOLV H ATOM 27716 H2 TIP3 8562 44.861 28.096 58.739 1.00 0.00 SOLV H ATOM 27717 OH2 TIP3 8563 45.677 26.896 57.580 1.00 0.00 SOLV O ATOM 27718 H1 TIP3 8563 45.691 27.197 56.647 1.00 0.00 SOLV H ATOM 27719 H2 TIP3 8563 46.633 26.753 57.741 1.00 0.00 SOLV H ATOM 27720 OH2 TIP3 8564 54.707 29.048 57.209 1.00 0.00 SOLV O ATOM 27721 H1 TIP3 8564 54.735 28.856 56.251 1.00 0.00 SOLV H ATOM 27722 H2 TIP3 8564 54.574 30.025 57.170 1.00 0.00 SOLV H ATOM 27723 OH2 TIP3 8565 45.593 37.768 58.915 1.00 0.00 SOLV O ATOM 27724 H1 TIP3 8565 46.484 37.383 58.832 1.00 0.00 SOLV H ATOM 27725 H2 TIP3 8565 45.624 38.435 58.202 1.00 0.00 SOLV H ATOM 27726 OH2 TIP3 8566 39.112 32.253 58.101 1.00 0.00 SOLV O ATOM 27727 H1 TIP3 8566 40.090 32.311 58.231 1.00 0.00 SOLV H ATOM 27728 H2 TIP3 8566 39.061 31.487 57.490 1.00 0.00 SOLV H ATOM 27729 OH2 TIP3 8567 37.961 37.493 63.280 1.00 0.00 SOLV O ATOM 27730 H1 TIP3 8567 37.412 37.040 62.612 1.00 0.00 SOLV H ATOM 27731 H2 TIP3 8567 38.087 36.767 63.929 1.00 0.00 SOLV H ATOM 27732 OH2 TIP3 8568 38.322 35.543 65.140 1.00 0.00 SOLV O ATOM 27733 H1 TIP3 8568 38.671 34.721 64.767 1.00 0.00 SOLV H ATOM 27734 H2 TIP3 8568 38.948 35.757 65.854 1.00 0.00 SOLV H ATOM 27735 OH2 TIP3 8569 56.272 36.068 68.134 1.00 0.00 SOLV O ATOM 27736 H1 TIP3 8569 56.269 36.333 69.079 1.00 0.00 SOLV H ATOM 27737 H2 TIP3 8569 57.103 36.466 67.823 1.00 0.00 SOLV H ATOM 27738 OH2 TIP3 8570 55.506 29.931 61.049 1.00 0.00 SOLV O ATOM 27739 H1 TIP3 8570 56.282 30.525 61.087 1.00 0.00 SOLV H ATOM 27740 H2 TIP3 8570 55.673 29.342 61.819 1.00 0.00 SOLV H ATOM 27741 OH2 TIP3 8571 55.960 28.008 62.958 1.00 0.00 SOLV O ATOM 27742 H1 TIP3 8571 55.096 27.653 63.264 1.00 0.00 SOLV H ATOM 27743 H2 TIP3 8571 56.462 28.101 63.794 1.00 0.00 SOLV H ATOM 27744 OH2 TIP3 8572 56.110 31.077 68.202 1.00 0.00 SOLV O ATOM 27745 H1 TIP3 8572 56.501 30.310 67.741 1.00 0.00 SOLV H ATOM 27746 H2 TIP3 8572 56.113 31.764 67.514 1.00 0.00 SOLV H ATOM 27747 OH2 TIP3 8573 56.172 27.976 59.246 1.00 0.00 SOLV O ATOM 27748 H1 TIP3 8573 55.646 28.257 58.463 1.00 0.00 SOLV H ATOM 27749 H2 TIP3 8573 55.872 28.654 59.890 1.00 0.00 SOLV H ATOM 27750 OH2 TIP3 8574 54.629 25.131 57.691 1.00 0.00 SOLV O ATOM 27751 H1 TIP3 8574 54.397 25.665 56.924 1.00 0.00 SOLV H ATOM 27752 H2 TIP3 8574 54.352 24.243 57.376 1.00 0.00 SOLV H ATOM 27753 OH2 TIP3 8575 53.538 26.795 63.500 1.00 0.00 SOLV O ATOM 27754 H1 TIP3 8575 53.526 25.872 63.194 1.00 0.00 SOLV H ATOM 27755 H2 TIP3 8575 53.144 26.724 64.398 1.00 0.00 SOLV H ATOM 27756 OH2 TIP3 8576 38.801 28.677 67.420 1.00 0.00 SOLV O ATOM 27757 H1 TIP3 8576 38.733 28.398 66.483 1.00 0.00 SOLV H ATOM 27758 H2 TIP3 8576 39.673 29.105 67.393 1.00 0.00 SOLV H ATOM 27759 OH2 TIP3 8577 53.797 22.710 56.727 1.00 0.00 SOLV O ATOM 27760 H1 TIP3 8577 54.236 22.144 57.393 1.00 0.00 SOLV H ATOM 27761 H2 TIP3 8577 52.926 22.291 56.613 1.00 0.00 SOLV H ATOM 27762 OH2 TIP3 8578 53.475 24.275 61.825 1.00 0.00 SOLV O ATOM 27763 H1 TIP3 8578 53.714 23.317 61.853 1.00 0.00 SOLV H ATOM 27764 H2 TIP3 8578 54.254 24.626 61.357 1.00 0.00 SOLV H ATOM 27765 OH2 TIP3 8579 53.898 24.572 67.246 1.00 0.00 SOLV O ATOM 27766 H1 TIP3 8579 54.857 24.756 67.345 1.00 0.00 SOLV H ATOM 27767 H2 TIP3 8579 53.757 23.939 67.984 1.00 0.00 SOLV H ATOM 27768 OH2 TIP3 8580 54.048 21.578 61.903 1.00 0.00 SOLV O ATOM 27769 H1 TIP3 8580 54.240 21.157 62.768 1.00 0.00 SOLV H ATOM 27770 H2 TIP3 8580 53.363 20.968 61.556 1.00 0.00 SOLV H ATOM 27771 OH2 TIP3 8581 39.407 22.357 66.519 1.00 0.00 SOLV O ATOM 27772 H1 TIP3 8581 39.845 21.477 66.480 1.00 0.00 SOLV H ATOM 27773 H2 TIP3 8581 40.196 22.916 66.671 1.00 0.00 SOLV H ATOM 27774 OH2 TIP3 8582 37.731 25.576 67.525 1.00 0.00 SOLV O ATOM 27775 H1 TIP3 8582 38.357 25.255 66.845 1.00 0.00 SOLV H ATOM 27776 H2 TIP3 8582 37.903 26.527 67.481 1.00 0.00 SOLV H ATOM 27777 OH2 TIP3 8583 55.576 21.406 58.484 1.00 0.00 SOLV O ATOM 27778 H1 TIP3 8583 56.041 20.806 57.864 1.00 0.00 SOLV H ATOM 27779 H2 TIP3 8583 56.305 21.968 58.817 1.00 0.00 SOLV H ATOM 27780 OH2 TIP3 8584 38.213 21.484 61.589 1.00 0.00 SOLV O ATOM 27781 H1 TIP3 8584 37.245 21.422 61.535 1.00 0.00 SOLV H ATOM 27782 H2 TIP3 8584 38.407 22.160 60.905 1.00 0.00 SOLV H ATOM 27783 OH2 TIP3 8585 52.894 36.663 63.645 1.00 0.00 SOLV O ATOM 27784 H1 TIP3 8585 53.527 36.687 62.898 1.00 0.00 SOLV H ATOM 27785 H2 TIP3 8585 53.481 36.803 64.401 1.00 0.00 SOLV H ATOM 27786 OH2 TIP3 8586 48.208 38.295 68.164 1.00 0.00 SOLV O ATOM 27787 H1 TIP3 8586 47.454 38.012 67.619 1.00 0.00 SOLV H ATOM 27788 H2 TIP3 8586 48.119 37.735 68.954 1.00 0.00 SOLV H ATOM 27789 OH2 TIP3 8587 40.046 36.303 67.271 1.00 0.00 SOLV O ATOM 27790 H1 TIP3 8587 40.349 36.371 68.212 1.00 0.00 SOLV H ATOM 27791 H2 TIP3 8587 40.825 35.833 66.892 1.00 0.00 SOLV H ATOM 27792 OH2 TIP3 8588 42.097 34.937 66.164 1.00 0.00 SOLV O ATOM 27793 H1 TIP3 8588 42.016 33.989 66.419 1.00 0.00 SOLV H ATOM 27794 H2 TIP3 8588 43.037 35.109 66.386 1.00 0.00 SOLV H ATOM 27795 OH2 TIP3 8589 44.774 35.177 66.989 1.00 0.00 SOLV O ATOM 27796 H1 TIP3 8589 45.054 34.318 66.635 1.00 0.00 SOLV H ATOM 27797 H2 TIP3 8589 45.032 35.082 67.918 1.00 0.00 SOLV H ATOM 27798 OH2 TIP3 8590 48.058 21.074 65.843 1.00 0.00 SOLV O ATOM 27799 H1 TIP3 8590 47.526 20.297 66.097 1.00 0.00 SOLV H ATOM 27800 H2 TIP3 8590 48.906 20.656 65.590 1.00 0.00 SOLV H ATOM 27801 OH2 TIP3 8591 53.233 19.016 65.937 1.00 0.00 SOLV O ATOM 27802 H1 TIP3 8591 53.845 19.630 65.477 1.00 0.00 SOLV H ATOM 27803 H2 TIP3 8591 52.385 19.484 65.857 1.00 0.00 SOLV H ATOM 27804 OH2 TIP3 8592 54.934 20.376 64.221 1.00 0.00 SOLV O ATOM 27805 H1 TIP3 8592 55.663 19.773 63.966 1.00 0.00 SOLV H ATOM 27806 H2 TIP3 8592 55.446 21.200 64.385 1.00 0.00 SOLV H ATOM 27807 OH2 TIP3 8593 40.573 19.693 63.655 1.00 0.00 SOLV O ATOM 27808 H1 TIP3 8593 39.631 19.550 63.413 1.00 0.00 SOLV H ATOM 27809 H2 TIP3 8593 40.924 18.790 63.504 1.00 0.00 SOLV H ATOM 27810 OH2 TIP3 8594 39.437 19.582 59.601 1.00 0.00 SOLV O ATOM 27811 H1 TIP3 8594 39.982 20.174 59.047 1.00 0.00 SOLV H ATOM 27812 H2 TIP3 8594 39.117 20.183 60.297 1.00 0.00 SOLV H ATOM 27813 OH2 TIP3 8595 45.259 19.349 63.683 1.00 0.00 SOLV O ATOM 27814 H1 TIP3 8595 45.993 19.809 63.245 1.00 0.00 SOLV H ATOM 27815 H2 TIP3 8595 45.476 19.470 64.623 1.00 0.00 SOLV H ATOM 27816 OH2 TIP3 8596 50.536 19.925 65.128 1.00 0.00 SOLV O ATOM 27817 H1 TIP3 8596 50.863 19.638 64.266 1.00 0.00 SOLV H ATOM 27818 H2 TIP3 8596 50.150 19.074 65.454 1.00 0.00 SOLV H ATOM 27819 OH2 TIP3 8597 52.027 19.911 60.933 1.00 0.00 SOLV O ATOM 27820 H1 TIP3 8597 51.223 20.445 61.085 1.00 0.00 SOLV H ATOM 27821 H2 TIP3 8597 51.671 19.009 61.092 1.00 0.00 SOLV H ATOM 27822 OH2 TIP3 8598 39.114 35.740 60.638 1.00 0.00 SOLV O ATOM 27823 H1 TIP3 8598 38.392 35.680 59.984 1.00 0.00 SOLV H ATOM 27824 H2 TIP3 8598 39.395 36.661 60.462 1.00 0.00 SOLV H ATOM 27825 OH2 TIP3 8599 41.341 21.188 57.983 1.00 0.00 SOLV O ATOM 27826 H1 TIP3 8599 41.862 20.649 57.353 1.00 0.00 SOLV H ATOM 27827 H2 TIP3 8599 42.048 21.557 58.549 1.00 0.00 SOLV H ATOM 27828 OH2 TIP3 8600 46.146 21.919 60.489 1.00 0.00 SOLV O ATOM 27829 H1 TIP3 8600 46.496 21.236 61.089 1.00 0.00 SOLV H ATOM 27830 H2 TIP3 8600 46.394 22.724 60.995 1.00 0.00 SOLV H ATOM 27831 OH2 TIP3 8601 48.079 36.630 58.770 1.00 0.00 SOLV O ATOM 27832 H1 TIP3 8601 49.054 36.733 58.690 1.00 0.00 SOLV H ATOM 27833 H2 TIP3 8601 47.918 36.083 57.967 1.00 0.00 SOLV H ATOM 27834 OH2 TIP3 8602 54.834 36.466 61.607 1.00 0.00 SOLV O ATOM 27835 H1 TIP3 8602 54.703 35.511 61.388 1.00 0.00 SOLV H ATOM 27836 H2 TIP3 8602 54.703 36.851 60.730 1.00 0.00 SOLV H ATOM 27837 OH2 TIP3 8603 41.124 36.428 57.222 1.00 0.00 SOLV O ATOM 27838 H1 TIP3 8603 41.037 36.465 58.183 1.00 0.00 SOLV H ATOM 27839 H2 TIP3 8603 41.946 35.891 57.113 1.00 0.00 SOLV H ATOM 27840 OH2 TIP3 8604 68.472 28.651 63.221 1.00 0.00 SOLV O ATOM 27841 H1 TIP3 8604 68.698 29.544 63.531 1.00 0.00 SOLV H ATOM 27842 H2 TIP3 8604 67.590 28.834 62.884 1.00 0.00 SOLV H ATOM 27843 OH2 TIP3 8605 67.028 28.485 67.071 1.00 0.00 SOLV O ATOM 27844 H1 TIP3 8605 67.783 28.081 67.535 1.00 0.00 SOLV H ATOM 27845 H2 TIP3 8605 66.865 27.839 66.380 1.00 0.00 SOLV H ATOM 27846 OH2 TIP3 8606 60.715 32.347 66.964 1.00 0.00 SOLV O ATOM 27847 H1 TIP3 8606 60.511 31.409 66.766 1.00 0.00 SOLV H ATOM 27848 H2 TIP3 8606 61.688 32.292 67.031 1.00 0.00 SOLV H ATOM 27849 OH2 TIP3 8607 57.511 25.675 62.277 1.00 0.00 SOLV O ATOM 27850 H1 TIP3 8607 57.094 26.490 62.605 1.00 0.00 SOLV H ATOM 27851 H2 TIP3 8607 56.880 25.431 61.575 1.00 0.00 SOLV H ATOM 27852 OH2 TIP3 8608 57.945 27.982 64.869 1.00 0.00 SOLV O ATOM 27853 H1 TIP3 8608 58.194 27.060 65.108 1.00 0.00 SOLV H ATOM 27854 H2 TIP3 8608 58.788 28.344 64.569 1.00 0.00 SOLV H ATOM 27855 OH2 TIP3 8609 67.514 35.989 65.686 1.00 0.00 SOLV O ATOM 27856 H1 TIP3 8609 68.458 35.958 65.435 1.00 0.00 SOLV H ATOM 27857 H2 TIP3 8609 67.518 36.558 66.468 1.00 0.00 SOLV H ATOM 27858 OH2 TIP3 8610 65.338 30.653 67.728 1.00 0.00 SOLV O ATOM 27859 H1 TIP3 8610 65.713 29.807 67.395 1.00 0.00 SOLV H ATOM 27860 H2 TIP3 8610 66.130 30.918 68.255 1.00 0.00 SOLV H ATOM 27861 OH2 TIP3 8611 68.922 24.273 68.297 1.00 0.00 SOLV O ATOM 27862 H1 TIP3 8611 69.063 23.339 68.505 1.00 0.00 SOLV H ATOM 27863 H2 TIP3 8611 68.581 24.211 67.389 1.00 0.00 SOLV H ATOM 27864 OH2 TIP3 8612 62.381 23.040 65.021 1.00 0.00 SOLV O ATOM 27865 H1 TIP3 8612 62.440 23.902 64.561 1.00 0.00 SOLV H ATOM 27866 H2 TIP3 8612 61.880 22.516 64.360 1.00 0.00 SOLV H ATOM 27867 OH2 TIP3 8613 58.744 25.514 65.677 1.00 0.00 SOLV O ATOM 27868 H1 TIP3 8613 59.369 25.007 66.240 1.00 0.00 SOLV H ATOM 27869 H2 TIP3 8613 58.992 25.130 64.810 1.00 0.00 SOLV H ATOM 27870 OH2 TIP3 8614 63.776 26.952 65.208 1.00 0.00 SOLV O ATOM 27871 H1 TIP3 8614 64.547 26.452 65.563 1.00 0.00 SOLV H ATOM 27872 H2 TIP3 8614 63.344 26.267 64.648 1.00 0.00 SOLV H ATOM 27873 OH2 TIP3 8615 68.031 31.589 62.652 1.00 0.00 SOLV O ATOM 27874 H1 TIP3 8615 67.860 31.790 61.718 1.00 0.00 SOLV H ATOM 27875 H2 TIP3 8615 67.813 32.447 63.068 1.00 0.00 SOLV H ATOM 27876 OH2 TIP3 8616 60.500 23.812 66.872 1.00 0.00 SOLV O ATOM 27877 H1 TIP3 8616 61.048 24.027 67.650 1.00 0.00 SOLV H ATOM 27878 H2 TIP3 8616 61.177 23.415 66.282 1.00 0.00 SOLV H ATOM 27879 OH2 TIP3 8617 57.888 31.501 60.870 1.00 0.00 SOLV O ATOM 27880 H1 TIP3 8617 57.752 32.005 60.048 1.00 0.00 SOLV H ATOM 27881 H2 TIP3 8617 58.214 32.205 61.471 1.00 0.00 SOLV H ATOM 27882 OH2 TIP3 8618 64.655 19.125 66.629 1.00 0.00 SOLV O ATOM 27883 H1 TIP3 8618 64.327 18.203 66.597 1.00 0.00 SOLV H ATOM 27884 H2 TIP3 8618 63.847 19.587 66.981 1.00 0.00 SOLV H ATOM 27885 OH2 TIP3 8619 67.266 28.190 60.450 1.00 0.00 SOLV O ATOM 27886 H1 TIP3 8619 66.451 28.735 60.445 1.00 0.00 SOLV H ATOM 27887 H2 TIP3 8619 67.925 28.886 60.585 1.00 0.00 SOLV H ATOM 27888 OH2 TIP3 8620 67.102 26.641 57.903 1.00 0.00 SOLV O ATOM 27889 H1 TIP3 8620 67.213 26.975 58.814 1.00 0.00 SOLV H ATOM 27890 H2 TIP3 8620 67.440 25.734 57.948 1.00 0.00 SOLV H ATOM 27891 OH2 TIP3 8621 62.268 28.965 64.075 1.00 0.00 SOLV O ATOM 27892 H1 TIP3 8621 62.012 28.606 63.200 1.00 0.00 SOLV H ATOM 27893 H2 TIP3 8621 62.830 28.244 64.433 1.00 0.00 SOLV H ATOM 27894 OH2 TIP3 8622 63.462 32.443 66.404 1.00 0.00 SOLV O ATOM 27895 H1 TIP3 8622 63.563 32.521 65.433 1.00 0.00 SOLV H ATOM 27896 H2 TIP3 8622 64.133 31.777 66.653 1.00 0.00 SOLV H ATOM 27897 OH2 TIP3 8623 62.525 27.745 67.479 1.00 0.00 SOLV O ATOM 27898 H1 TIP3 8623 62.994 27.490 66.652 1.00 0.00 SOLV H ATOM 27899 H2 TIP3 8623 63.233 28.165 67.990 1.00 0.00 SOLV H ATOM 27900 OH2 TIP3 8624 68.502 33.727 69.102 1.00 0.00 SOLV O ATOM 27901 H1 TIP3 8624 68.424 33.778 68.106 1.00 0.00 SOLV H ATOM 27902 H2 TIP3 8624 69.342 33.223 69.223 1.00 0.00 SOLV H ATOM 27903 OH2 TIP3 8625 67.463 34.299 63.319 1.00 0.00 SOLV O ATOM 27904 H1 TIP3 8625 67.307 34.762 64.162 1.00 0.00 SOLV H ATOM 27905 H2 TIP3 8625 67.262 35.011 62.684 1.00 0.00 SOLV H ATOM 27906 OH2 TIP3 8626 61.419 28.135 61.476 1.00 0.00 SOLV O ATOM 27907 H1 TIP3 8626 60.840 28.753 60.978 1.00 0.00 SOLV H ATOM 27908 H2 TIP3 8626 60.925 27.308 61.417 1.00 0.00 SOLV H ATOM 27909 OH2 TIP3 8627 57.203 33.496 66.962 1.00 0.00 SOLV O ATOM 27910 H1 TIP3 8627 58.061 33.268 67.343 1.00 0.00 SOLV H ATOM 27911 H2 TIP3 8627 56.821 34.110 67.615 1.00 0.00 SOLV H ATOM 27912 OH2 TIP3 8628 66.888 37.014 61.708 1.00 0.00 SOLV O ATOM 27913 H1 TIP3 8628 66.768 37.160 60.759 1.00 0.00 SOLV H ATOM 27914 H2 TIP3 8628 66.739 37.895 62.086 1.00 0.00 SOLV H ATOM 27915 OH2 TIP3 8629 60.351 35.922 63.635 1.00 0.00 SOLV O ATOM 27916 H1 TIP3 8629 60.506 35.606 64.552 1.00 0.00 SOLV H ATOM 27917 H2 TIP3 8629 59.823 35.193 63.265 1.00 0.00 SOLV H ATOM 27918 OH2 TIP3 8630 62.375 20.356 67.415 1.00 0.00 SOLV O ATOM 27919 H1 TIP3 8630 61.451 20.311 67.098 1.00 0.00 SOLV H ATOM 27920 H2 TIP3 8630 62.271 20.922 68.196 1.00 0.00 SOLV H ATOM 27921 OH2 TIP3 8631 66.642 22.255 58.223 1.00 0.00 SOLV O ATOM 27922 H1 TIP3 8631 66.082 22.152 59.015 1.00 0.00 SOLV H ATOM 27923 H2 TIP3 8631 66.158 21.668 57.611 1.00 0.00 SOLV H ATOM 27924 OH2 TIP3 8632 61.940 25.308 68.777 1.00 0.00 SOLV O ATOM 27925 H1 TIP3 8632 61.040 25.456 69.138 1.00 0.00 SOLV H ATOM 27926 H2 TIP3 8632 62.099 26.143 68.289 1.00 0.00 SOLV H ATOM 27927 OH2 TIP3 8633 62.301 25.357 63.585 1.00 0.00 SOLV O ATOM 27928 H1 TIP3 8633 61.327 25.216 63.573 1.00 0.00 SOLV H ATOM 27929 H2 TIP3 8633 62.508 25.075 62.667 1.00 0.00 SOLV H ATOM 27930 OH2 TIP3 8634 67.507 25.781 62.198 1.00 0.00 SOLV O ATOM 27931 H1 TIP3 8634 67.274 26.724 62.158 1.00 0.00 SOLV H ATOM 27932 H2 TIP3 8634 67.468 25.539 61.263 1.00 0.00 SOLV H ATOM 27933 OH2 TIP3 8635 68.208 24.899 65.279 1.00 0.00 SOLV O ATOM 27934 H1 TIP3 8635 68.267 25.540 64.559 1.00 0.00 SOLV H ATOM 27935 H2 TIP3 8635 68.649 24.129 64.866 1.00 0.00 SOLV H ATOM 27936 OH2 TIP3 8636 63.422 22.877 57.048 1.00 0.00 SOLV O ATOM 27937 H1 TIP3 8636 63.011 22.684 57.916 1.00 0.00 SOLV H ATOM 27938 H2 TIP3 8636 62.800 23.555 56.711 1.00 0.00 SOLV H ATOM 27939 OH2 TIP3 8637 56.726 22.405 64.268 1.00 0.00 SOLV O ATOM 27940 H1 TIP3 8637 57.272 22.488 65.077 1.00 0.00 SOLV H ATOM 27941 H2 TIP3 8637 57.370 22.185 63.585 1.00 0.00 SOLV H ATOM 27942 OH2 TIP3 8638 57.472 23.256 59.536 1.00 0.00 SOLV O ATOM 27943 H1 TIP3 8638 58.189 23.665 59.006 1.00 0.00 SOLV H ATOM 27944 H2 TIP3 8638 56.959 24.054 59.760 1.00 0.00 SOLV H ATOM 27945 OH2 TIP3 8639 65.083 22.972 64.591 1.00 0.00 SOLV O ATOM 27946 H1 TIP3 8639 64.177 22.859 64.945 1.00 0.00 SOLV H ATOM 27947 H2 TIP3 8639 65.566 22.242 65.030 1.00 0.00 SOLV H ATOM 27948 OH2 TIP3 8640 59.743 24.519 63.326 1.00 0.00 SOLV O ATOM 27949 H1 TIP3 8640 58.944 24.802 62.821 1.00 0.00 SOLV H ATOM 27950 H2 TIP3 8640 59.911 23.617 62.991 1.00 0.00 SOLV H ATOM 27951 OH2 TIP3 8641 62.754 24.448 61.067 1.00 0.00 SOLV O ATOM 27952 H1 TIP3 8641 63.722 24.402 61.209 1.00 0.00 SOLV H ATOM 27953 H2 TIP3 8641 62.671 24.937 60.214 1.00 0.00 SOLV H ATOM 27954 OH2 TIP3 8642 62.399 25.632 58.650 1.00 0.00 SOLV O ATOM 27955 H1 TIP3 8642 61.783 25.371 57.943 1.00 0.00 SOLV H ATOM 27956 H2 TIP3 8642 63.124 26.027 58.124 1.00 0.00 SOLV H ATOM 27957 OH2 TIP3 8643 65.811 25.580 66.340 1.00 0.00 SOLV O ATOM 27958 H1 TIP3 8643 66.624 25.307 65.866 1.00 0.00 SOLV H ATOM 27959 H2 TIP3 8643 65.662 24.805 66.891 1.00 0.00 SOLV H ATOM 27960 OH2 TIP3 8644 60.917 21.870 62.984 1.00 0.00 SOLV O ATOM 27961 H1 TIP3 8644 60.299 21.148 63.248 1.00 0.00 SOLV H ATOM 27962 H2 TIP3 8644 61.484 21.389 62.370 1.00 0.00 SOLV H ATOM 27963 OH2 TIP3 8645 65.294 30.122 60.554 1.00 0.00 SOLV O ATOM 27964 H1 TIP3 8645 64.516 29.708 60.112 1.00 0.00 SOLV H ATOM 27965 H2 TIP3 8645 64.898 30.341 61.436 1.00 0.00 SOLV H ATOM 27966 OH2 TIP3 8646 60.741 29.617 66.318 1.00 0.00 SOLV O ATOM 27967 H1 TIP3 8646 61.205 29.481 65.469 1.00 0.00 SOLV H ATOM 27968 H2 TIP3 8646 61.263 29.035 66.904 1.00 0.00 SOLV H ATOM 27969 OH2 TIP3 8647 67.464 31.664 59.790 1.00 0.00 SOLV O ATOM 27970 H1 TIP3 8647 67.092 32.578 59.787 1.00 0.00 SOLV H ATOM 27971 H2 TIP3 8647 66.662 31.143 60.014 1.00 0.00 SOLV H ATOM 27972 OH2 TIP3 8648 63.039 33.166 63.689 1.00 0.00 SOLV O ATOM 27973 H1 TIP3 8648 63.226 34.065 63.353 1.00 0.00 SOLV H ATOM 27974 H2 TIP3 8648 62.076 33.139 63.624 1.00 0.00 SOLV H ATOM 27975 OH2 TIP3 8649 58.758 27.807 58.336 1.00 0.00 SOLV O ATOM 27976 H1 TIP3 8649 59.211 28.507 58.854 1.00 0.00 SOLV H ATOM 27977 H2 TIP3 8649 57.850 27.870 58.711 1.00 0.00 SOLV H ATOM 27978 OH2 TIP3 8650 64.048 30.726 62.863 1.00 0.00 SOLV O ATOM 27979 H1 TIP3 8650 63.798 31.617 63.178 1.00 0.00 SOLV H ATOM 27980 H2 TIP3 8650 63.447 30.163 63.392 1.00 0.00 SOLV H ATOM 27981 OH2 TIP3 8651 62.953 35.869 62.675 1.00 0.00 SOLV O ATOM 27982 H1 TIP3 8651 62.027 36.052 62.940 1.00 0.00 SOLV H ATOM 27983 H2 TIP3 8651 63.395 36.687 62.996 1.00 0.00 SOLV H ATOM 27984 OH2 TIP3 8652 64.498 33.182 56.857 1.00 0.00 SOLV O ATOM 27985 H1 TIP3 8652 64.666 32.315 56.446 1.00 0.00 SOLV H ATOM 27986 H2 TIP3 8652 64.078 32.912 57.700 1.00 0.00 SOLV H ATOM 27987 OH2 TIP3 8653 63.351 32.682 59.313 1.00 0.00 SOLV O ATOM 27988 H1 TIP3 8653 63.839 32.176 59.976 1.00 0.00 SOLV H ATOM 27989 H2 TIP3 8653 63.471 33.604 59.640 1.00 0.00 SOLV H ATOM 27990 OH2 TIP3 8654 59.822 29.809 59.903 1.00 0.00 SOLV O ATOM 27991 H1 TIP3 8654 59.091 30.274 60.367 1.00 0.00 SOLV H ATOM 27992 H2 TIP3 8654 60.208 30.563 59.415 1.00 0.00 SOLV H ATOM 27993 OH2 TIP3 8655 67.980 22.810 61.350 1.00 0.00 SOLV O ATOM 27994 H1 TIP3 8655 68.336 22.914 60.455 1.00 0.00 SOLV H ATOM 27995 H2 TIP3 8655 68.673 23.219 61.894 1.00 0.00 SOLV H ATOM 27996 OH2 TIP3 8656 66.406 34.150 59.928 1.00 0.00 SOLV O ATOM 27997 H1 TIP3 8656 65.473 34.396 60.092 1.00 0.00 SOLV H ATOM 27998 H2 TIP3 8656 66.778 35.035 59.781 1.00 0.00 SOLV H ATOM 27999 OH2 TIP3 8657 65.280 24.043 62.107 1.00 0.00 SOLV O ATOM 28000 H1 TIP3 8657 66.103 24.529 62.300 1.00 0.00 SOLV H ATOM 28001 H2 TIP3 8657 65.106 23.666 63.003 1.00 0.00 SOLV H ATOM 28002 OH2 TIP3 8658 66.479 20.886 62.670 1.00 0.00 SOLV O ATOM 28003 H1 TIP3 8658 66.660 21.021 63.624 1.00 0.00 SOLV H ATOM 28004 H2 TIP3 8658 66.846 21.715 62.291 1.00 0.00 SOLV H ATOM 28005 OH2 TIP3 8659 63.891 35.189 60.198 1.00 0.00 SOLV O ATOM 28006 H1 TIP3 8659 63.881 36.053 59.729 1.00 0.00 SOLV H ATOM 28007 H2 TIP3 8659 63.561 35.458 61.086 1.00 0.00 SOLV H ATOM 28008 OH2 TIP3 8660 62.389 22.200 59.506 1.00 0.00 SOLV O ATOM 28009 H1 TIP3 8660 62.282 22.942 60.135 1.00 0.00 SOLV H ATOM 28010 H2 TIP3 8660 63.268 21.867 59.787 1.00 0.00 SOLV H ATOM 28011 OH2 TIP3 8661 60.691 32.079 58.488 1.00 0.00 SOLV O ATOM 28012 H1 TIP3 8661 61.469 32.517 58.886 1.00 0.00 SOLV H ATOM 28013 H2 TIP3 8661 61.151 31.554 57.797 1.00 0.00 SOLV H ATOM 28014 OH2 TIP3 8662 58.751 25.087 57.924 1.00 0.00 SOLV O ATOM 28015 H1 TIP3 8662 58.914 26.016 58.180 1.00 0.00 SOLV H ATOM 28016 H2 TIP3 8662 58.110 25.188 57.212 1.00 0.00 SOLV H ATOM 28017 OH2 TIP3 8663 59.741 20.058 66.355 1.00 0.00 SOLV O ATOM 28018 H1 TIP3 8663 59.691 19.912 65.390 1.00 0.00 SOLV H ATOM 28019 H2 TIP3 8663 59.396 19.209 66.700 1.00 0.00 SOLV H ATOM 28020 OH2 TIP3 8664 58.588 33.830 62.270 1.00 0.00 SOLV O ATOM 28021 H1 TIP3 8664 57.954 34.050 62.967 1.00 0.00 SOLV H ATOM 28022 H2 TIP3 8664 58.405 34.519 61.587 1.00 0.00 SOLV H ATOM 28023 OH2 TIP3 8665 66.866 34.569 56.807 1.00 0.00 SOLV O ATOM 28024 H1 TIP3 8665 65.970 34.171 56.884 1.00 0.00 SOLV H ATOM 28025 H2 TIP3 8665 67.385 33.737 56.835 1.00 0.00 SOLV H ATOM 28026 OH2 TIP3 8666 62.142 30.350 57.018 1.00 0.00 SOLV O ATOM 28027 H1 TIP3 8666 62.444 29.845 57.796 1.00 0.00 SOLV H ATOM 28028 H2 TIP3 8666 62.989 30.436 56.530 1.00 0.00 SOLV H ATOM 28029 OH2 TIP3 8667 67.592 31.825 56.914 1.00 0.00 SOLV O ATOM 28030 H1 TIP3 8667 67.732 31.728 57.874 1.00 0.00 SOLV H ATOM 28031 H2 TIP3 8667 67.394 30.906 56.660 1.00 0.00 SOLV H ATOM 28032 OH2 TIP3 8668 63.268 28.743 59.341 1.00 0.00 SOLV O ATOM 28033 H1 TIP3 8668 62.694 28.309 60.001 1.00 0.00 SOLV H ATOM 28034 H2 TIP3 8668 63.590 27.987 58.808 1.00 0.00 SOLV H ATOM 28035 OH2 TIP3 8669 64.460 27.001 57.497 1.00 0.00 SOLV O ATOM 28036 H1 TIP3 8669 64.450 27.274 56.555 1.00 0.00 SOLV H ATOM 28037 H2 TIP3 8669 65.420 26.836 57.611 1.00 0.00 SOLV H ATOM 28038 OH2 TIP3 8670 64.457 37.575 58.852 1.00 0.00 SOLV O ATOM 28039 H1 TIP3 8670 65.375 37.264 58.766 1.00 0.00 SOLV H ATOM 28040 H2 TIP3 8670 64.448 38.298 58.200 1.00 0.00 SOLV H ATOM 28041 OH2 TIP3 8671 57.984 32.305 58.052 1.00 0.00 SOLV O ATOM 28042 H1 TIP3 8671 58.952 32.309 58.218 1.00 0.00 SOLV H ATOM 28043 H2 TIP3 8671 57.899 31.536 57.448 1.00 0.00 SOLV H ATOM 28044 OH2 TIP3 8672 56.821 37.447 63.360 1.00 0.00 SOLV O ATOM 28045 H1 TIP3 8672 56.266 37.098 62.631 1.00 0.00 SOLV H ATOM 28046 H2 TIP3 8672 57.011 36.627 63.865 1.00 0.00 SOLV H ATOM 28047 OH2 TIP3 8673 57.458 35.302 64.956 1.00 0.00 SOLV O ATOM 28048 H1 TIP3 8673 57.143 34.539 65.491 1.00 0.00 SOLV H ATOM 28049 H2 TIP3 8673 57.917 35.795 65.657 1.00 0.00 SOLV H ATOM 28050 OH2 TIP3 8674 57.347 28.727 67.432 1.00 0.00 SOLV O ATOM 28051 H1 TIP3 8674 57.565 28.567 66.489 1.00 0.00 SOLV H ATOM 28052 H2 TIP3 8674 58.226 28.775 67.835 1.00 0.00 SOLV H ATOM 28053 OH2 TIP3 8675 58.185 22.308 66.630 1.00 0.00 SOLV O ATOM 28054 H1 TIP3 8675 58.651 21.443 66.669 1.00 0.00 SOLV H ATOM 28055 H2 TIP3 8675 58.946 22.895 66.823 1.00 0.00 SOLV H ATOM 28056 OH2 TIP3 8676 56.546 25.579 67.512 1.00 0.00 SOLV O ATOM 28057 H1 TIP3 8676 57.194 25.336 66.823 1.00 0.00 SOLV H ATOM 28058 H2 TIP3 8676 56.787 26.500 67.682 1.00 0.00 SOLV H ATOM 28059 OH2 TIP3 8677 57.073 21.329 61.415 1.00 0.00 SOLV O ATOM 28060 H1 TIP3 8677 56.114 21.396 61.557 1.00 0.00 SOLV H ATOM 28061 H2 TIP3 8677 57.247 22.102 60.839 1.00 0.00 SOLV H ATOM 28062 OH2 TIP3 8678 67.186 37.748 67.888 1.00 0.00 SOLV O ATOM 28063 H1 TIP3 8678 66.248 37.746 67.600 1.00 0.00 SOLV H ATOM 28064 H2 TIP3 8678 67.101 37.620 68.847 1.00 0.00 SOLV H ATOM 28065 OH2 TIP3 8679 58.967 36.425 67.222 1.00 0.00 SOLV O ATOM 28066 H1 TIP3 8679 59.270 36.443 68.164 1.00 0.00 SOLV H ATOM 28067 H2 TIP3 8679 59.668 35.849 66.845 1.00 0.00 SOLV H ATOM 28068 OH2 TIP3 8680 60.962 34.926 66.119 1.00 0.00 SOLV O ATOM 28069 H1 TIP3 8680 60.826 33.994 66.415 1.00 0.00 SOLV H ATOM 28070 H2 TIP3 8680 61.895 35.069 66.384 1.00 0.00 SOLV H ATOM 28071 OH2 TIP3 8681 63.648 35.156 67.000 1.00 0.00 SOLV O ATOM 28072 H1 TIP3 8681 63.764 34.230 66.704 1.00 0.00 SOLV H ATOM 28073 H2 TIP3 8681 63.887 35.054 67.931 1.00 0.00 SOLV H ATOM 28074 OH2 TIP3 8682 66.566 20.847 65.526 1.00 0.00 SOLV O ATOM 28075 H1 TIP3 8682 65.915 20.262 65.968 1.00 0.00 SOLV H ATOM 28076 H2 TIP3 8682 67.375 20.584 65.987 1.00 0.00 SOLV H ATOM 28077 OH2 TIP3 8683 59.417 19.695 63.596 1.00 0.00 SOLV O ATOM 28078 H1 TIP3 8683 58.472 19.514 63.387 1.00 0.00 SOLV H ATOM 28079 H2 TIP3 8683 59.789 18.794 63.483 1.00 0.00 SOLV H ATOM 28080 OH2 TIP3 8684 58.210 19.581 59.568 1.00 0.00 SOLV O ATOM 28081 H1 TIP3 8684 58.761 20.220 59.087 1.00 0.00 SOLV H ATOM 28082 H2 TIP3 8684 57.851 20.136 60.296 1.00 0.00 SOLV H ATOM 28083 OH2 TIP3 8685 63.975 19.384 63.676 1.00 0.00 SOLV O ATOM 28084 H1 TIP3 8685 64.834 19.732 63.399 1.00 0.00 SOLV H ATOM 28085 H2 TIP3 8685 64.003 19.508 64.636 1.00 0.00 SOLV H ATOM 28086 OH2 TIP3 8686 58.162 35.785 60.409 1.00 0.00 SOLV O ATOM 28087 H1 TIP3 8686 57.353 35.728 59.869 1.00 0.00 SOLV H ATOM 28088 H2 TIP3 8686 58.392 36.725 60.242 1.00 0.00 SOLV H ATOM 28089 OH2 TIP3 8687 60.252 21.310 57.919 1.00 0.00 SOLV O ATOM 28090 H1 TIP3 8687 60.762 20.705 57.346 1.00 0.00 SOLV H ATOM 28091 H2 TIP3 8687 60.940 21.603 58.552 1.00 0.00 SOLV H ATOM 28092 OH2 TIP3 8688 64.991 21.869 60.421 1.00 0.00 SOLV O ATOM 28093 H1 TIP3 8688 65.291 21.167 61.023 1.00 0.00 SOLV H ATOM 28094 H2 TIP3 8688 65.160 22.661 60.975 1.00 0.00 SOLV H ATOM 28095 OH2 TIP3 8689 67.084 36.655 58.707 1.00 0.00 SOLV O ATOM 28096 H1 TIP3 8689 67.833 37.206 58.446 1.00 0.00 SOLV H ATOM 28097 H2 TIP3 8689 67.063 35.984 57.987 1.00 0.00 SOLV H ATOM 28098 OH2 TIP3 8690 59.990 36.425 57.245 1.00 0.00 SOLV O ATOM 28099 H1 TIP3 8690 59.738 36.397 58.178 1.00 0.00 SOLV H ATOM 28100 H2 TIP3 8690 60.794 35.855 57.225 1.00 0.00 SOLV H ATOM 28101 OH2 TIP3 8691 12.019 47.822 63.559 1.00 0.00 SOLV O ATOM 28102 H1 TIP3 8691 11.900 48.791 63.463 1.00 0.00 SOLV H ATOM 28103 H2 TIP3 8691 11.366 47.511 62.904 1.00 0.00 SOLV H ATOM 28104 OH2 TIP3 8692 10.922 47.072 67.253 1.00 0.00 SOLV O ATOM 28105 H1 TIP3 8692 10.875 46.390 67.940 1.00 0.00 SOLV H ATOM 28106 H2 TIP3 8692 10.539 46.613 66.493 1.00 0.00 SOLV H ATOM 28107 OH2 TIP3 8693 14.633 49.862 65.384 1.00 0.00 SOLV O ATOM 28108 H1 TIP3 8693 14.250 49.198 65.976 1.00 0.00 SOLV H ATOM 28109 H2 TIP3 8693 14.789 50.602 66.014 1.00 0.00 SOLV H ATOM 28110 OH2 TIP3 8694 4.175 51.191 66.956 1.00 0.00 SOLV O ATOM 28111 H1 TIP3 8694 4.123 50.218 66.846 1.00 0.00 SOLV H ATOM 28112 H2 TIP3 8694 5.149 51.265 67.028 1.00 0.00 SOLV H ATOM 28113 OH2 TIP3 8695 1.191 44.876 62.600 1.00 0.00 SOLV O ATOM 28114 H1 TIP3 8695 1.153 45.832 62.714 1.00 0.00 SOLV H ATOM 28115 H2 TIP3 8695 0.241 44.674 62.501 1.00 0.00 SOLV H ATOM 28116 OH2 TIP3 8696 2.377 47.112 65.415 1.00 0.00 SOLV O ATOM 28117 H1 TIP3 8696 2.384 46.131 65.441 1.00 0.00 SOLV H ATOM 28118 H2 TIP3 8696 2.100 47.295 64.509 1.00 0.00 SOLV H ATOM 28119 OH2 TIP3 8697 11.724 55.292 65.777 1.00 0.00 SOLV O ATOM 28120 H1 TIP3 8697 12.121 54.415 65.667 1.00 0.00 SOLV H ATOM 28121 H2 TIP3 8697 11.400 55.295 66.699 1.00 0.00 SOLV H ATOM 28122 OH2 TIP3 8698 8.960 49.663 67.607 1.00 0.00 SOLV O ATOM 28123 H1 TIP3 8698 9.317 48.860 67.198 1.00 0.00 SOLV H ATOM 28124 H2 TIP3 8698 9.741 49.927 68.140 1.00 0.00 SOLV H ATOM 28125 OH2 TIP3 8699 18.591 40.940 68.452 1.00 0.00 SOLV O ATOM 28126 H1 TIP3 8699 17.920 41.553 68.121 1.00 0.00 SOLV H ATOM 28127 H2 TIP3 8699 19.271 41.002 67.750 1.00 0.00 SOLV H ATOM 28128 OH2 TIP3 8700 11.941 43.951 67.898 1.00 0.00 SOLV O ATOM 28129 H1 TIP3 8700 12.225 43.018 68.003 1.00 0.00 SOLV H ATOM 28130 H2 TIP3 8700 12.092 44.071 66.945 1.00 0.00 SOLV H ATOM 28131 OH2 TIP3 8701 5.898 41.859 65.008 1.00 0.00 SOLV O ATOM 28132 H1 TIP3 8701 5.968 42.733 64.571 1.00 0.00 SOLV H ATOM 28133 H2 TIP3 8701 5.426 41.354 64.313 1.00 0.00 SOLV H ATOM 28134 OH2 TIP3 8702 13.559 42.252 63.333 1.00 0.00 SOLV O ATOM 28135 H1 TIP3 8702 14.013 41.832 64.102 1.00 0.00 SOLV H ATOM 28136 H2 TIP3 8702 14.329 42.607 62.851 1.00 0.00 SOLV H ATOM 28137 OH2 TIP3 8703 2.382 44.351 65.639 1.00 0.00 SOLV O ATOM 28138 H1 TIP3 8703 2.851 43.743 66.241 1.00 0.00 SOLV H ATOM 28139 H2 TIP3 8703 2.664 43.969 64.782 1.00 0.00 SOLV H ATOM 28140 OH2 TIP3 8704 7.241 45.811 65.251 1.00 0.00 SOLV O ATOM 28141 H1 TIP3 8704 8.074 45.364 65.517 1.00 0.00 SOLV H ATOM 28142 H2 TIP3 8704 6.852 45.144 64.638 1.00 0.00 SOLV H ATOM 28143 OH2 TIP3 8705 11.562 50.364 62.514 1.00 0.00 SOLV O ATOM 28144 H1 TIP3 8705 11.457 50.536 61.564 1.00 0.00 SOLV H ATOM 28145 H2 TIP3 8705 11.204 51.198 62.890 1.00 0.00 SOLV H ATOM 28146 OH2 TIP3 8706 14.891 41.530 65.558 1.00 0.00 SOLV O ATOM 28147 H1 TIP3 8706 14.419 41.090 66.280 1.00 0.00 SOLV H ATOM 28148 H2 TIP3 8706 15.455 42.165 66.042 1.00 0.00 SOLV H ATOM 28149 OH2 TIP3 8707 3.955 42.431 66.916 1.00 0.00 SOLV O ATOM 28150 H1 TIP3 8707 4.520 42.765 67.644 1.00 0.00 SOLV H ATOM 28151 H2 TIP3 8707 4.646 42.121 66.292 1.00 0.00 SOLV H ATOM 28152 OH2 TIP3 8708 1.515 50.118 60.906 1.00 0.00 SOLV O ATOM 28153 H1 TIP3 8708 1.222 50.554 60.078 1.00 0.00 SOLV H ATOM 28154 H2 TIP3 8708 1.650 50.878 61.497 1.00 0.00 SOLV H ATOM 28155 OH2 TIP3 8709 14.826 51.924 67.117 1.00 0.00 SOLV O ATOM 28156 H1 TIP3 8709 13.961 52.159 67.498 1.00 0.00 SOLV H ATOM 28157 H2 TIP3 8709 15.334 52.748 67.261 1.00 0.00 SOLV H ATOM 28158 OH2 TIP3 8710 8.117 37.975 66.542 1.00 0.00 SOLV O ATOM 28159 H1 TIP3 8710 7.775 37.060 66.509 1.00 0.00 SOLV H ATOM 28160 H2 TIP3 8710 7.321 38.449 66.888 1.00 0.00 SOLV H ATOM 28161 OH2 TIP3 8711 13.365 53.676 64.007 1.00 0.00 SOLV O ATOM 28162 H1 TIP3 8711 13.591 52.752 63.752 1.00 0.00 SOLV H ATOM 28163 H2 TIP3 8711 14.250 54.003 64.193 1.00 0.00 SOLV H ATOM 28164 OH2 TIP3 8712 14.506 51.414 63.127 1.00 0.00 SOLV O ATOM 28165 H1 TIP3 8712 14.194 50.793 62.455 1.00 0.00 SOLV H ATOM 28166 H2 TIP3 8712 14.616 50.814 63.900 1.00 0.00 SOLV H ATOM 28167 OH2 TIP3 8713 10.664 47.018 61.305 1.00 0.00 SOLV O ATOM 28168 H1 TIP3 8713 10.025 47.723 61.068 1.00 0.00 SOLV H ATOM 28169 H2 TIP3 8713 11.308 47.084 60.578 1.00 0.00 SOLV H ATOM 28170 OH2 TIP3 8714 10.770 45.678 57.893 1.00 0.00 SOLV O ATOM 28171 H1 TIP3 8714 11.344 45.952 58.633 1.00 0.00 SOLV H ATOM 28172 H2 TIP3 8714 11.366 45.052 57.432 1.00 0.00 SOLV H ATOM 28173 OH2 TIP3 8715 14.172 47.258 61.951 1.00 0.00 SOLV O ATOM 28174 H1 TIP3 8715 13.486 47.433 62.637 1.00 0.00 SOLV H ATOM 28175 H2 TIP3 8715 14.840 46.781 62.488 1.00 0.00 SOLV H ATOM 28176 OH2 TIP3 8716 5.746 47.837 64.021 1.00 0.00 SOLV O ATOM 28177 H1 TIP3 8716 5.434 47.467 63.166 1.00 0.00 SOLV H ATOM 28178 H2 TIP3 8716 6.284 47.099 64.377 1.00 0.00 SOLV H ATOM 28179 OH2 TIP3 8717 6.893 51.296 66.451 1.00 0.00 SOLV O ATOM 28180 H1 TIP3 8717 6.912 51.375 65.475 1.00 0.00 SOLV H ATOM 28181 H2 TIP3 8717 7.600 50.646 66.636 1.00 0.00 SOLV H ATOM 28182 OH2 TIP3 8718 6.423 46.463 67.766 1.00 0.00 SOLV O ATOM 28183 H1 TIP3 8718 6.677 46.261 66.840 1.00 0.00 SOLV H ATOM 28184 H2 TIP3 8718 5.882 47.270 67.627 1.00 0.00 SOLV H ATOM 28185 OH2 TIP3 8719 12.364 52.468 68.521 1.00 0.00 SOLV O ATOM 28186 H1 TIP3 8719 13.056 52.655 69.197 1.00 0.00 SOLV H ATOM 28187 H2 TIP3 8719 12.040 51.590 68.790 1.00 0.00 SOLV H ATOM 28188 OH2 TIP3 8720 12.868 46.512 59.635 1.00 0.00 SOLV O ATOM 28189 H1 TIP3 8720 13.394 46.896 60.372 1.00 0.00 SOLV H ATOM 28190 H2 TIP3 8720 13.407 46.801 58.857 1.00 0.00 SOLV H ATOM 28191 OH2 TIP3 8721 10.797 52.917 63.180 1.00 0.00 SOLV O ATOM 28192 H1 TIP3 8721 11.543 53.362 63.622 1.00 0.00 SOLV H ATOM 28193 H2 TIP3 8721 10.314 53.656 62.787 1.00 0.00 SOLV H ATOM 28194 OH2 TIP3 8722 16.634 38.023 59.545 1.00 0.00 SOLV O ATOM 28195 H1 TIP3 8722 15.761 38.330 59.865 1.00 0.00 SOLV H ATOM 28196 H2 TIP3 8722 17.041 38.875 59.275 1.00 0.00 SOLV H ATOM 28197 OH2 TIP3 8723 4.819 46.965 61.520 1.00 0.00 SOLV O ATOM 28198 H1 TIP3 8723 4.346 47.623 60.965 1.00 0.00 SOLV H ATOM 28199 H2 TIP3 8723 4.318 46.161 61.344 1.00 0.00 SOLV H ATOM 28200 OH2 TIP3 8724 17.858 52.436 58.145 1.00 0.00 SOLV O ATOM 28201 H1 TIP3 8724 18.112 53.384 58.167 1.00 0.00 SOLV H ATOM 28202 H2 TIP3 8724 18.739 52.004 58.126 1.00 0.00 SOLV H ATOM 28203 OH2 TIP3 8725 1.438 52.158 66.661 1.00 0.00 SOLV O ATOM 28204 H1 TIP3 8725 2.223 51.565 66.568 1.00 0.00 SOLV H ATOM 28205 H2 TIP3 8725 1.484 52.384 67.583 1.00 0.00 SOLV H ATOM 28206 OH2 TIP3 8726 10.503 55.952 61.671 1.00 0.00 SOLV O ATOM 28207 H1 TIP3 8726 10.182 56.004 60.754 1.00 0.00 SOLV H ATOM 28208 H2 TIP3 8726 10.128 56.761 62.069 1.00 0.00 SOLV H ATOM 28209 OH2 TIP3 8727 3.850 54.791 63.610 1.00 0.00 SOLV O ATOM 28210 H1 TIP3 8727 3.971 54.472 64.532 1.00 0.00 SOLV H ATOM 28211 H2 TIP3 8727 3.257 54.105 63.249 1.00 0.00 SOLV H ATOM 28212 OH2 TIP3 8728 13.225 55.352 58.549 1.00 0.00 SOLV O ATOM 28213 H1 TIP3 8728 13.730 54.606 58.153 1.00 0.00 SOLV H ATOM 28214 H2 TIP3 8728 13.315 55.160 59.506 1.00 0.00 SOLV H ATOM 28215 OH2 TIP3 8729 13.041 55.104 61.337 1.00 0.00 SOLV O ATOM 28216 H1 TIP3 8729 12.111 55.394 61.484 1.00 0.00 SOLV H ATOM 28217 H2 TIP3 8729 13.072 54.331 61.926 1.00 0.00 SOLV H ATOM 28218 OH2 TIP3 8730 5.857 39.186 67.453 1.00 0.00 SOLV O ATOM 28219 H1 TIP3 8730 4.928 39.244 67.161 1.00 0.00 SOLV H ATOM 28220 H2 TIP3 8730 5.977 40.010 67.971 1.00 0.00 SOLV H ATOM 28221 OH2 TIP3 8731 14.379 47.130 57.491 1.00 0.00 SOLV O ATOM 28222 H1 TIP3 8731 14.237 47.249 56.533 1.00 0.00 SOLV H ATOM 28223 H2 TIP3 8731 15.321 47.382 57.569 1.00 0.00 SOLV H ATOM 28224 OH2 TIP3 8732 9.951 41.158 58.242 1.00 0.00 SOLV O ATOM 28225 H1 TIP3 8732 9.352 41.029 59.004 1.00 0.00 SOLV H ATOM 28226 H2 TIP3 8732 9.541 40.535 57.608 1.00 0.00 SOLV H ATOM 28227 OH2 TIP3 8733 5.395 44.026 68.709 1.00 0.00 SOLV O ATOM 28228 H1 TIP3 8733 4.531 44.413 68.944 1.00 0.00 SOLV H ATOM 28229 H2 TIP3 8733 5.874 44.818 68.387 1.00 0.00 SOLV H ATOM 28230 OH2 TIP3 8734 5.925 44.170 63.563 1.00 0.00 SOLV O ATOM 28231 H1 TIP3 8734 4.953 44.026 63.499 1.00 0.00 SOLV H ATOM 28232 H2 TIP3 8734 6.180 43.937 62.643 1.00 0.00 SOLV H ATOM 28233 OH2 TIP3 8735 11.292 44.560 62.434 1.00 0.00 SOLV O ATOM 28234 H1 TIP3 8735 11.068 45.430 62.038 1.00 0.00 SOLV H ATOM 28235 H2 TIP3 8735 11.967 44.227 61.806 1.00 0.00 SOLV H ATOM 28236 OH2 TIP3 8736 12.116 44.053 65.013 1.00 0.00 SOLV O ATOM 28237 H1 TIP3 8736 11.773 44.500 64.206 1.00 0.00 SOLV H ATOM 28238 H2 TIP3 8736 12.513 43.278 64.565 1.00 0.00 SOLV H ATOM 28239 OH2 TIP3 8737 6.803 41.698 57.055 1.00 0.00 SOLV O ATOM 28240 H1 TIP3 8737 6.411 41.550 57.937 1.00 0.00 SOLV H ATOM 28241 H2 TIP3 8737 6.213 42.400 56.713 1.00 0.00 SOLV H ATOM 28242 OH2 TIP3 8738 0.585 41.629 63.985 1.00 0.00 SOLV O ATOM 28243 H1 TIP3 8738 0.953 41.511 64.888 1.00 0.00 SOLV H ATOM 28244 H2 TIP3 8738 0.889 40.820 63.556 1.00 0.00 SOLV H ATOM 28245 OH2 TIP3 8739 1.536 42.090 60.081 1.00 0.00 SOLV O ATOM 28246 H1 TIP3 8739 2.049 41.730 59.339 1.00 0.00 SOLV H ATOM 28247 H2 TIP3 8739 1.585 43.036 59.846 1.00 0.00 SOLV H ATOM 28248 OH2 TIP3 8740 8.671 41.638 64.465 1.00 0.00 SOLV O ATOM 28249 H1 TIP3 8740 7.763 41.662 64.830 1.00 0.00 SOLV H ATOM 28250 H2 TIP3 8740 9.163 41.170 65.170 1.00 0.00 SOLV H ATOM 28251 OH2 TIP3 8741 3.394 43.291 63.301 1.00 0.00 SOLV O ATOM 28252 H1 TIP3 8741 2.579 43.577 62.835 1.00 0.00 SOLV H ATOM 28253 H2 TIP3 8741 3.539 42.380 62.975 1.00 0.00 SOLV H ATOM 28254 OH2 TIP3 8742 6.457 43.349 61.035 1.00 0.00 SOLV O ATOM 28255 H1 TIP3 8742 7.431 43.363 61.099 1.00 0.00 SOLV H ATOM 28256 H2 TIP3 8742 6.280 43.817 60.186 1.00 0.00 SOLV H ATOM 28257 OH2 TIP3 8743 12.549 41.230 67.734 1.00 0.00 SOLV O ATOM 28258 H1 TIP3 8743 12.479 40.700 68.541 1.00 0.00 SOLV H ATOM 28259 H2 TIP3 8743 11.949 40.759 67.133 1.00 0.00 SOLV H ATOM 28260 OH2 TIP3 8744 5.843 44.433 58.627 1.00 0.00 SOLV O ATOM 28261 H1 TIP3 8744 5.326 44.198 57.835 1.00 0.00 SOLV H ATOM 28262 H2 TIP3 8744 6.616 44.871 58.211 1.00 0.00 SOLV H ATOM 28263 OH2 TIP3 8745 9.542 44.575 66.223 1.00 0.00 SOLV O ATOM 28264 H1 TIP3 8745 10.311 44.295 65.697 1.00 0.00 SOLV H ATOM 28265 H2 TIP3 8745 9.662 44.044 67.022 1.00 0.00 SOLV H ATOM 28266 OH2 TIP3 8746 4.472 40.684 62.923 1.00 0.00 SOLV O ATOM 28267 H1 TIP3 8746 3.923 39.941 63.257 1.00 0.00 SOLV H ATOM 28268 H2 TIP3 8746 5.025 40.226 62.275 1.00 0.00 SOLV H ATOM 28269 OH2 TIP3 8747 8.807 48.981 60.573 1.00 0.00 SOLV O ATOM 28270 H1 TIP3 8747 8.053 48.558 60.110 1.00 0.00 SOLV H ATOM 28271 H2 TIP3 8747 8.390 49.202 61.443 1.00 0.00 SOLV H ATOM 28272 OH2 TIP3 8748 12.528 41.692 58.875 1.00 0.00 SOLV O ATOM 28273 H1 TIP3 8748 11.567 41.651 58.655 1.00 0.00 SOLV H ATOM 28274 H2 TIP3 8748 12.621 42.562 59.312 1.00 0.00 SOLV H ATOM 28275 OH2 TIP3 8749 13.229 43.866 60.538 1.00 0.00 SOLV O ATOM 28276 H1 TIP3 8749 14.129 43.720 60.886 1.00 0.00 SOLV H ATOM 28277 H2 TIP3 8749 13.281 44.776 60.186 1.00 0.00 SOLV H ATOM 28278 OH2 TIP3 8750 4.527 48.506 66.408 1.00 0.00 SOLV O ATOM 28279 H1 TIP3 8750 4.975 48.411 65.545 1.00 0.00 SOLV H ATOM 28280 H2 TIP3 8750 3.668 48.069 66.212 1.00 0.00 SOLV H ATOM 28281 OH2 TIP3 8751 10.868 50.526 59.681 1.00 0.00 SOLV O ATOM 28282 H1 TIP3 8751 10.502 51.439 59.760 1.00 0.00 SOLV H ATOM 28283 H2 TIP3 8751 10.104 49.985 59.981 1.00 0.00 SOLV H ATOM 28284 OH2 TIP3 8752 18.015 44.283 60.181 1.00 0.00 SOLV O ATOM 28285 H1 TIP3 8752 17.562 44.102 59.322 1.00 0.00 SOLV H ATOM 28286 H2 TIP3 8752 18.226 45.229 60.012 1.00 0.00 SOLV H ATOM 28287 OH2 TIP3 8753 16.599 52.791 60.635 1.00 0.00 SOLV O ATOM 28288 H1 TIP3 8753 16.091 52.016 60.911 1.00 0.00 SOLV H ATOM 28289 H2 TIP3 8753 16.938 52.528 59.758 1.00 0.00 SOLV H ATOM 28290 OH2 TIP3 8754 13.671 47.624 67.312 1.00 0.00 SOLV O ATOM 28291 H1 TIP3 8754 12.703 47.557 67.185 1.00 0.00 SOLV H ATOM 28292 H2 TIP3 8754 13.994 46.889 66.757 1.00 0.00 SOLV H ATOM 28293 OH2 TIP3 8755 6.452 52.019 63.757 1.00 0.00 SOLV O ATOM 28294 H1 TIP3 8755 6.663 52.910 63.409 1.00 0.00 SOLV H ATOM 28295 H2 TIP3 8755 5.514 51.954 63.539 1.00 0.00 SOLV H ATOM 28296 OH2 TIP3 8756 2.166 46.791 58.147 1.00 0.00 SOLV O ATOM 28297 H1 TIP3 8756 2.852 47.256 58.677 1.00 0.00 SOLV H ATOM 28298 H2 TIP3 8756 1.441 47.423 58.256 1.00 0.00 SOLV H ATOM 28299 OH2 TIP3 8757 7.491 49.614 62.827 1.00 0.00 SOLV O ATOM 28300 H1 TIP3 8757 7.257 50.488 63.193 1.00 0.00 SOLV H ATOM 28301 H2 TIP3 8757 6.900 49.023 63.335 1.00 0.00 SOLV H ATOM 28302 OH2 TIP3 8758 6.444 54.738 62.693 1.00 0.00 SOLV O ATOM 28303 H1 TIP3 8758 5.509 54.892 62.949 1.00 0.00 SOLV H ATOM 28304 H2 TIP3 8758 6.859 55.567 63.023 1.00 0.00 SOLV H ATOM 28305 OH2 TIP3 8759 14.253 50.929 58.461 1.00 0.00 SOLV O ATOM 28306 H1 TIP3 8759 14.502 50.429 59.273 1.00 0.00 SOLV H ATOM 28307 H2 TIP3 8759 13.313 50.703 58.382 1.00 0.00 SOLV H ATOM 28308 OH2 TIP3 8760 18.521 55.102 58.566 1.00 0.00 SOLV O ATOM 28309 H1 TIP3 8760 19.103 55.799 58.221 1.00 0.00 SOLV H ATOM 28310 H2 TIP3 8760 17.729 55.637 58.778 1.00 0.00 SOLV H ATOM 28311 OH2 TIP3 8761 15.113 49.527 60.672 1.00 0.00 SOLV O ATOM 28312 H1 TIP3 8761 14.715 48.766 61.141 1.00 0.00 SOLV H ATOM 28313 H2 TIP3 8761 16.064 49.301 60.758 1.00 0.00 SOLV H ATOM 28314 OH2 TIP3 8762 8.105 51.894 56.847 1.00 0.00 SOLV O ATOM 28315 H1 TIP3 8762 8.135 51.013 56.427 1.00 0.00 SOLV H ATOM 28316 H2 TIP3 8762 7.655 51.685 57.692 1.00 0.00 SOLV H ATOM 28317 OH2 TIP3 8763 6.876 51.536 59.282 1.00 0.00 SOLV O ATOM 28318 H1 TIP3 8763 7.373 51.037 59.944 1.00 0.00 SOLV H ATOM 28319 H2 TIP3 8763 6.982 52.459 59.608 1.00 0.00 SOLV H ATOM 28320 OH2 TIP3 8764 3.440 48.598 59.784 1.00 0.00 SOLV O ATOM 28321 H1 TIP3 8764 2.726 49.061 60.285 1.00 0.00 SOLV H ATOM 28322 H2 TIP3 8764 3.813 49.369 59.310 1.00 0.00 SOLV H ATOM 28323 OH2 TIP3 8765 12.236 40.554 61.507 1.00 0.00 SOLV O ATOM 28324 H1 TIP3 8765 12.367 40.969 60.631 1.00 0.00 SOLV H ATOM 28325 H2 TIP3 8765 12.630 41.223 62.110 1.00 0.00 SOLV H ATOM 28326 OH2 TIP3 8766 9.835 53.014 59.899 1.00 0.00 SOLV O ATOM 28327 H1 TIP3 8766 8.924 53.299 60.106 1.00 0.00 SOLV H ATOM 28328 H2 TIP3 8766 10.187 53.841 59.530 1.00 0.00 SOLV H ATOM 28329 OH2 TIP3 8767 9.085 42.909 62.063 1.00 0.00 SOLV O ATOM 28330 H1 TIP3 8767 9.844 43.507 62.234 1.00 0.00 SOLV H ATOM 28331 H2 TIP3 8767 8.923 42.556 62.967 1.00 0.00 SOLV H ATOM 28332 OH2 TIP3 8768 9.853 39.593 62.600 1.00 0.00 SOLV O ATOM 28333 H1 TIP3 8768 9.758 40.220 63.342 1.00 0.00 SOLV H ATOM 28334 H2 TIP3 8768 10.711 39.895 62.220 1.00 0.00 SOLV H ATOM 28335 OH2 TIP3 8769 7.334 54.051 60.207 1.00 0.00 SOLV O ATOM 28336 H1 TIP3 8769 7.322 54.910 59.728 1.00 0.00 SOLV H ATOM 28337 H2 TIP3 8769 6.991 54.324 61.088 1.00 0.00 SOLV H ATOM 28338 OH2 TIP3 8770 5.836 41.076 59.575 1.00 0.00 SOLV O ATOM 28339 H1 TIP3 8770 5.812 41.862 60.160 1.00 0.00 SOLV H ATOM 28340 H2 TIP3 8770 6.720 40.730 59.826 1.00 0.00 SOLV H ATOM 28341 OH2 TIP3 8771 14.560 45.270 65.904 1.00 0.00 SOLV O ATOM 28342 H1 TIP3 8771 13.723 44.821 65.679 1.00 0.00 SOLV H ATOM 28343 H2 TIP3 8771 15.038 44.592 66.424 1.00 0.00 SOLV H ATOM 28344 OH2 TIP3 8772 4.191 50.950 58.436 1.00 0.00 SOLV O ATOM 28345 H1 TIP3 8772 4.915 51.470 58.830 1.00 0.00 SOLV H ATOM 28346 H2 TIP3 8772 4.710 50.424 57.790 1.00 0.00 SOLV H ATOM 28347 OH2 TIP3 8773 1.846 44.013 57.953 1.00 0.00 SOLV O ATOM 28348 H1 TIP3 8773 2.068 44.959 58.041 1.00 0.00 SOLV H ATOM 28349 H2 TIP3 8773 1.633 43.940 57.003 1.00 0.00 SOLV H ATOM 28350 OH2 TIP3 8774 15.949 54.377 67.554 1.00 0.00 SOLV O ATOM 28351 H1 TIP3 8774 15.650 55.092 66.981 1.00 0.00 SOLV H ATOM 28352 H2 TIP3 8774 16.885 54.636 67.718 1.00 0.00 SOLV H ATOM 28353 OH2 TIP3 8775 3.153 38.968 66.448 1.00 0.00 SOLV O ATOM 28354 H1 TIP3 8775 3.168 38.808 65.482 1.00 0.00 SOLV H ATOM 28355 H2 TIP3 8775 2.868 38.090 66.774 1.00 0.00 SOLV H ATOM 28356 OH2 TIP3 8776 2.054 52.759 62.395 1.00 0.00 SOLV O ATOM 28357 H1 TIP3 8776 1.337 52.960 63.012 1.00 0.00 SOLV H ATOM 28358 H2 TIP3 8776 1.883 53.411 61.672 1.00 0.00 SOLV H ATOM 28359 OH2 TIP3 8777 10.191 53.685 56.804 1.00 0.00 SOLV O ATOM 28360 H1 TIP3 8777 9.478 53.008 56.879 1.00 0.00 SOLV H ATOM 28361 H2 TIP3 8777 10.942 53.136 56.508 1.00 0.00 SOLV H ATOM 28362 OH2 TIP3 8778 14.555 53.358 57.184 1.00 0.00 SOLV O ATOM 28363 H1 TIP3 8778 14.637 52.512 57.674 1.00 0.00 SOLV H ATOM 28364 H2 TIP3 8778 15.301 53.316 56.553 1.00 0.00 SOLV H ATOM 28365 OH2 TIP3 8779 5.635 49.144 57.059 1.00 0.00 SOLV O ATOM 28366 H1 TIP3 8779 5.979 48.689 57.855 1.00 0.00 SOLV H ATOM 28367 H2 TIP3 8779 6.464 49.237 56.540 1.00 0.00 SOLV H ATOM 28368 OH2 TIP3 8780 11.416 50.556 56.988 1.00 0.00 SOLV O ATOM 28369 H1 TIP3 8780 11.102 50.487 57.913 1.00 0.00 SOLV H ATOM 28370 H2 TIP3 8780 11.262 49.638 56.671 1.00 0.00 SOLV H ATOM 28371 OH2 TIP3 8781 6.747 47.653 59.273 1.00 0.00 SOLV O ATOM 28372 H1 TIP3 8781 6.228 47.175 59.941 1.00 0.00 SOLV H ATOM 28373 H2 TIP3 8781 7.169 46.924 58.771 1.00 0.00 SOLV H ATOM 28374 OH2 TIP3 8782 7.989 45.772 57.612 1.00 0.00 SOLV O ATOM 28375 H1 TIP3 8782 8.018 46.102 56.689 1.00 0.00 SOLV H ATOM 28376 H2 TIP3 8782 8.944 45.604 57.768 1.00 0.00 SOLV H ATOM 28377 OH2 TIP3 8783 17.001 47.879 57.215 1.00 0.00 SOLV O ATOM 28378 H1 TIP3 8783 17.023 47.697 56.253 1.00 0.00 SOLV H ATOM 28379 H2 TIP3 8783 16.869 48.856 57.180 1.00 0.00 SOLV H ATOM 28380 OH2 TIP3 8784 7.841 56.457 58.912 1.00 0.00 SOLV O ATOM 28381 H1 TIP3 8784 8.779 56.203 58.826 1.00 0.00 SOLV H ATOM 28382 H2 TIP3 8784 7.790 57.130 58.208 1.00 0.00 SOLV H ATOM 28383 OH2 TIP3 8785 1.459 51.015 58.274 1.00 0.00 SOLV O ATOM 28384 H1 TIP3 8785 2.436 51.094 58.280 1.00 0.00 SOLV H ATOM 28385 H2 TIP3 8785 1.299 50.433 57.512 1.00 0.00 SOLV H ATOM 28386 OH2 TIP3 8786 1.130 54.348 65.032 1.00 0.00 SOLV O ATOM 28387 H1 TIP3 8786 1.124 53.463 65.454 1.00 0.00 SOLV H ATOM 28388 H2 TIP3 8786 1.648 54.846 65.692 1.00 0.00 SOLV H ATOM 28389 OH2 TIP3 8787 18.521 55.116 68.115 1.00 0.00 SOLV O ATOM 28390 H1 TIP3 8787 18.570 55.320 69.071 1.00 0.00 SOLV H ATOM 28391 H2 TIP3 8787 19.423 55.335 67.819 1.00 0.00 SOLV H ATOM 28392 OH2 TIP3 8788 17.775 48.803 61.043 1.00 0.00 SOLV O ATOM 28393 H1 TIP3 8788 18.564 49.382 61.054 1.00 0.00 SOLV H ATOM 28394 H2 TIP3 8788 17.959 48.208 61.803 1.00 0.00 SOLV H ATOM 28395 OH2 TIP3 8789 18.251 46.872 62.945 1.00 0.00 SOLV O ATOM 28396 H1 TIP3 8789 17.386 46.511 63.240 1.00 0.00 SOLV H ATOM 28397 H2 TIP3 8789 18.749 46.955 63.784 1.00 0.00 SOLV H ATOM 28398 OH2 TIP3 8790 18.463 49.916 68.181 1.00 0.00 SOLV O ATOM 28399 H1 TIP3 8790 18.746 49.195 67.596 1.00 0.00 SOLV H ATOM 28400 H2 TIP3 8790 18.366 50.661 67.565 1.00 0.00 SOLV H ATOM 28401 OH2 TIP3 8791 18.469 46.830 59.258 1.00 0.00 SOLV O ATOM 28402 H1 TIP3 8791 17.956 47.099 58.462 1.00 0.00 SOLV H ATOM 28403 H2 TIP3 8791 18.158 47.516 59.886 1.00 0.00 SOLV H ATOM 28404 OH2 TIP3 8792 16.902 43.985 57.722 1.00 0.00 SOLV O ATOM 28405 H1 TIP3 8792 16.707 44.540 56.958 1.00 0.00 SOLV H ATOM 28406 H2 TIP3 8792 16.617 43.109 57.383 1.00 0.00 SOLV H ATOM 28407 OH2 TIP3 8793 15.843 45.652 63.486 1.00 0.00 SOLV O ATOM 28408 H1 TIP3 8793 15.813 44.736 63.163 1.00 0.00 SOLV H ATOM 28409 H2 TIP3 8793 15.422 45.579 64.371 1.00 0.00 SOLV H ATOM 28410 OH2 TIP3 8794 1.268 48.540 67.928 1.00 0.00 SOLV O ATOM 28411 H1 TIP3 8794 1.186 48.543 66.964 1.00 0.00 SOLV H ATOM 28412 H2 TIP3 8794 1.335 47.585 68.083 1.00 0.00 SOLV H ATOM 28413 OH2 TIP3 8795 16.072 41.567 56.760 1.00 0.00 SOLV O ATOM 28414 H1 TIP3 8795 16.503 40.990 57.419 1.00 0.00 SOLV H ATOM 28415 H2 TIP3 8795 15.205 41.150 56.618 1.00 0.00 SOLV H ATOM 28416 OH2 TIP3 8796 15.779 43.143 61.833 1.00 0.00 SOLV O ATOM 28417 H1 TIP3 8796 16.018 42.186 61.853 1.00 0.00 SOLV H ATOM 28418 H2 TIP3 8796 16.550 43.497 61.351 1.00 0.00 SOLV H ATOM 28419 OH2 TIP3 8797 16.171 43.304 67.219 1.00 0.00 SOLV O ATOM 28420 H1 TIP3 8797 17.074 43.672 67.319 1.00 0.00 SOLV H ATOM 28421 H2 TIP3 8797 16.067 42.741 68.016 1.00 0.00 SOLV H ATOM 28422 OH2 TIP3 8798 16.331 40.433 61.906 1.00 0.00 SOLV O ATOM 28423 H1 TIP3 8798 16.506 40.007 62.770 1.00 0.00 SOLV H ATOM 28424 H2 TIP3 8798 15.639 39.837 61.550 1.00 0.00 SOLV H ATOM 28425 OH2 TIP3 8799 1.529 41.173 66.519 1.00 0.00 SOLV O ATOM 28426 H1 TIP3 8799 1.948 40.290 66.597 1.00 0.00 SOLV H ATOM 28427 H2 TIP3 8799 2.312 41.722 66.731 1.00 0.00 SOLV H ATOM 28428 OH2 TIP3 8800 0.406 45.724 67.508 1.00 0.00 SOLV O ATOM 28429 H1 TIP3 8800 0.761 45.475 66.641 1.00 0.00 SOLV H ATOM 28430 H2 TIP3 8800 0.339 44.847 67.933 1.00 0.00 SOLV H ATOM 28431 OH2 TIP3 8801 17.878 40.245 58.514 1.00 0.00 SOLV O ATOM 28432 H1 TIP3 8801 18.341 39.671 57.870 1.00 0.00 SOLV H ATOM 28433 H2 TIP3 8801 18.596 40.835 58.822 1.00 0.00 SOLV H ATOM 28434 OH2 TIP3 8802 1.194 39.740 61.616 1.00 0.00 SOLV O ATOM 28435 H1 TIP3 8802 0.224 39.754 61.617 1.00 0.00 SOLV H ATOM 28436 H2 TIP3 8802 1.387 40.582 61.147 1.00 0.00 SOLV H ATOM 28437 OH2 TIP3 8803 10.577 56.485 68.061 1.00 0.00 SOLV O ATOM 28438 H1 TIP3 8803 9.663 56.571 67.745 1.00 0.00 SOLV H ATOM 28439 H2 TIP3 8803 10.471 56.353 69.019 1.00 0.00 SOLV H ATOM 28440 OH2 TIP3 8804 2.492 55.328 67.294 1.00 0.00 SOLV O ATOM 28441 H1 TIP3 8804 2.571 55.307 68.274 1.00 0.00 SOLV H ATOM 28442 H2 TIP3 8804 3.207 54.708 67.027 1.00 0.00 SOLV H ATOM 28443 OH2 TIP3 8805 4.433 53.793 66.123 1.00 0.00 SOLV O ATOM 28444 H1 TIP3 8805 4.283 52.861 66.397 1.00 0.00 SOLV H ATOM 28445 H2 TIP3 8805 5.375 53.919 66.365 1.00 0.00 SOLV H ATOM 28446 OH2 TIP3 8806 7.118 53.997 67.003 1.00 0.00 SOLV O ATOM 28447 H1 TIP3 8806 7.225 53.067 66.718 1.00 0.00 SOLV H ATOM 28448 H2 TIP3 8806 7.387 53.915 67.927 1.00 0.00 SOLV H ATOM 28449 OH2 TIP3 8807 10.365 39.918 65.869 1.00 0.00 SOLV O ATOM 28450 H1 TIP3 8807 9.843 39.168 66.208 1.00 0.00 SOLV H ATOM 28451 H2 TIP3 8807 11.206 39.476 65.641 1.00 0.00 SOLV H ATOM 28452 OH2 TIP3 8808 15.534 37.904 65.982 1.00 0.00 SOLV O ATOM 28453 H1 TIP3 8808 16.113 38.515 65.475 1.00 0.00 SOLV H ATOM 28454 H2 TIP3 8808 14.663 38.327 65.869 1.00 0.00 SOLV H ATOM 28455 OH2 TIP3 8809 17.210 39.196 64.222 1.00 0.00 SOLV O ATOM 28456 H1 TIP3 8809 17.944 38.616 63.928 1.00 0.00 SOLV H ATOM 28457 H2 TIP3 8809 17.703 40.038 64.355 1.00 0.00 SOLV H ATOM 28458 OH2 TIP3 8810 2.950 38.562 63.663 1.00 0.00 SOLV O ATOM 28459 H1 TIP3 8810 2.262 38.637 62.977 1.00 0.00 SOLV H ATOM 28460 H2 TIP3 8810 3.228 37.622 63.568 1.00 0.00 SOLV H ATOM 28461 OH2 TIP3 8811 1.797 38.171 59.398 1.00 0.00 SOLV O ATOM 28462 H1 TIP3 8811 2.256 38.816 58.837 1.00 0.00 SOLV H ATOM 28463 H2 TIP3 8811 1.684 38.662 60.235 1.00 0.00 SOLV H ATOM 28464 OH2 TIP3 8812 7.513 38.234 63.672 1.00 0.00 SOLV O ATOM 28465 H1 TIP3 8812 8.280 38.686 63.284 1.00 0.00 SOLV H ATOM 28466 H2 TIP3 8812 7.681 38.332 64.624 1.00 0.00 SOLV H ATOM 28467 OH2 TIP3 8813 12.893 38.764 65.140 1.00 0.00 SOLV O ATOM 28468 H1 TIP3 8813 13.141 38.513 64.243 1.00 0.00 SOLV H ATOM 28469 H2 TIP3 8813 12.479 37.921 65.448 1.00 0.00 SOLV H ATOM 28470 OH2 TIP3 8814 14.314 38.766 60.939 1.00 0.00 SOLV O ATOM 28471 H1 TIP3 8814 13.516 39.310 61.088 1.00 0.00 SOLV H ATOM 28472 H2 TIP3 8814 13.946 37.868 61.089 1.00 0.00 SOLV H ATOM 28473 OH2 TIP3 8815 1.674 54.512 60.370 1.00 0.00 SOLV O ATOM 28474 H1 TIP3 8815 1.405 54.044 59.572 1.00 0.00 SOLV H ATOM 28475 H2 TIP3 8815 1.746 55.433 60.035 1.00 0.00 SOLV H ATOM 28476 OH2 TIP3 8816 3.712 40.162 57.969 1.00 0.00 SOLV O ATOM 28477 H1 TIP3 8816 4.192 39.570 57.353 1.00 0.00 SOLV H ATOM 28478 H2 TIP3 8816 4.439 40.423 58.575 1.00 0.00 SOLV H ATOM 28479 OH2 TIP3 8817 8.430 40.764 60.498 1.00 0.00 SOLV O ATOM 28480 H1 TIP3 8817 8.783 40.088 61.104 1.00 0.00 SOLV H ATOM 28481 H2 TIP3 8817 8.680 41.574 60.997 1.00 0.00 SOLV H ATOM 28482 OH2 TIP3 8818 10.452 55.550 58.770 1.00 0.00 SOLV O ATOM 28483 H1 TIP3 8818 11.416 55.698 58.687 1.00 0.00 SOLV H ATOM 28484 H2 TIP3 8818 10.303 55.015 57.955 1.00 0.00 SOLV H ATOM 28485 OH2 TIP3 8819 16.789 55.270 61.641 1.00 0.00 SOLV O ATOM 28486 H1 TIP3 8819 16.712 54.317 61.389 1.00 0.00 SOLV H ATOM 28487 H2 TIP3 8819 16.733 55.679 60.754 1.00 0.00 SOLV H ATOM 28488 OH2 TIP3 8820 3.557 55.022 57.610 1.00 0.00 SOLV O ATOM 28489 H1 TIP3 8820 3.678 55.348 58.505 1.00 0.00 SOLV H ATOM 28490 H2 TIP3 8820 4.437 54.636 57.400 1.00 0.00 SOLV H ATOM 28491 OH2 TIP3 8821 30.815 47.792 63.606 1.00 0.00 SOLV O ATOM 28492 H1 TIP3 8821 30.719 48.762 63.497 1.00 0.00 SOLV H ATOM 28493 H2 TIP3 8821 30.221 47.493 62.891 1.00 0.00 SOLV H ATOM 28494 OH2 TIP3 8822 29.713 47.128 67.201 1.00 0.00 SOLV O ATOM 28495 H1 TIP3 8822 29.752 46.361 67.789 1.00 0.00 SOLV H ATOM 28496 H2 TIP3 8822 29.521 46.727 66.343 1.00 0.00 SOLV H ATOM 28497 OH2 TIP3 8823 33.484 49.878 65.410 1.00 0.00 SOLV O ATOM 28498 H1 TIP3 8823 33.155 49.224 66.041 1.00 0.00 SOLV H ATOM 28499 H2 TIP3 8823 33.655 50.642 66.006 1.00 0.00 SOLV H ATOM 28500 OH2 TIP3 8824 23.008 51.198 66.962 1.00 0.00 SOLV O ATOM 28501 H1 TIP3 8824 22.791 50.260 66.797 1.00 0.00 SOLV H ATOM 28502 H2 TIP3 8824 23.989 51.149 66.905 1.00 0.00 SOLV H ATOM 28503 OH2 TIP3 8825 19.778 44.514 62.303 1.00 0.00 SOLV O ATOM 28504 H1 TIP3 8825 19.368 45.347 62.594 1.00 0.00 SOLV H ATOM 28505 H2 TIP3 8825 19.177 44.280 61.571 1.00 0.00 SOLV H ATOM 28506 OH2 TIP3 8826 20.238 46.816 64.848 1.00 0.00 SOLV O ATOM 28507 H1 TIP3 8826 20.528 45.905 65.073 1.00 0.00 SOLV H ATOM 28508 H2 TIP3 8826 21.041 47.196 64.468 1.00 0.00 SOLV H ATOM 28509 OH2 TIP3 8827 30.658 55.302 65.771 1.00 0.00 SOLV O ATOM 28510 H1 TIP3 8827 31.004 54.439 65.485 1.00 0.00 SOLV H ATOM 28511 H2 TIP3 8827 30.313 55.142 66.668 1.00 0.00 SOLV H ATOM 28512 OH2 TIP3 8828 27.821 49.580 67.614 1.00 0.00 SOLV O ATOM 28513 H1 TIP3 8828 28.233 48.815 67.179 1.00 0.00 SOLV H ATOM 28514 H2 TIP3 8828 28.592 49.868 68.150 1.00 0.00 SOLV H ATOM 28515 OH2 TIP3 8829 37.402 40.989 68.369 1.00 0.00 SOLV O ATOM 28516 H1 TIP3 8829 37.160 41.896 68.152 1.00 0.00 SOLV H ATOM 28517 H2 TIP3 8829 38.081 40.828 67.680 1.00 0.00 SOLV H ATOM 28518 OH2 TIP3 8830 30.694 43.946 67.864 1.00 0.00 SOLV O ATOM 28519 H1 TIP3 8830 31.030 43.035 68.006 1.00 0.00 SOLV H ATOM 28520 H2 TIP3 8830 30.928 44.065 66.927 1.00 0.00 SOLV H ATOM 28521 OH2 TIP3 8831 24.759 41.857 65.015 1.00 0.00 SOLV O ATOM 28522 H1 TIP3 8831 24.802 42.732 64.572 1.00 0.00 SOLV H ATOM 28523 H2 TIP3 8831 24.278 41.345 64.329 1.00 0.00 SOLV H ATOM 28524 OH2 TIP3 8832 32.446 42.274 63.420 1.00 0.00 SOLV O ATOM 28525 H1 TIP3 8832 32.933 41.840 64.156 1.00 0.00 SOLV H ATOM 28526 H2 TIP3 8832 33.187 42.606 62.876 1.00 0.00 SOLV H ATOM 28527 OH2 TIP3 8833 21.051 44.348 65.713 1.00 0.00 SOLV O ATOM 28528 H1 TIP3 8833 21.701 43.860 66.256 1.00 0.00 SOLV H ATOM 28529 H2 TIP3 8833 21.296 43.986 64.833 1.00 0.00 SOLV H ATOM 28530 OH2 TIP3 8834 26.105 45.761 65.289 1.00 0.00 SOLV O ATOM 28531 H1 TIP3 8834 26.935 45.292 65.527 1.00 0.00 SOLV H ATOM 28532 H2 TIP3 8834 25.687 45.117 64.675 1.00 0.00 SOLV H ATOM 28533 OH2 TIP3 8835 30.341 50.336 62.558 1.00 0.00 SOLV O ATOM 28534 H1 TIP3 8835 30.347 50.556 61.613 1.00 0.00 SOLV H ATOM 28535 H2 TIP3 8835 29.978 51.166 62.935 1.00 0.00 SOLV H ATOM 28536 OH2 TIP3 8836 33.727 41.420 65.675 1.00 0.00 SOLV O ATOM 28537 H1 TIP3 8836 33.252 41.310 66.515 1.00 0.00 SOLV H ATOM 28538 H2 TIP3 8836 34.424 42.051 65.938 1.00 0.00 SOLV H ATOM 28539 OH2 TIP3 8837 22.848 42.594 66.857 1.00 0.00 SOLV O ATOM 28540 H1 TIP3 8837 23.440 42.928 67.561 1.00 0.00 SOLV H ATOM 28541 H2 TIP3 8837 23.515 42.250 66.223 1.00 0.00 SOLV H ATOM 28542 OH2 TIP3 8838 20.163 50.341 60.864 1.00 0.00 SOLV O ATOM 28543 H1 TIP3 8838 20.074 50.807 60.010 1.00 0.00 SOLV H ATOM 28544 H2 TIP3 8838 20.520 51.055 61.434 1.00 0.00 SOLV H ATOM 28545 OH2 TIP3 8839 33.690 51.965 67.127 1.00 0.00 SOLV O ATOM 28546 H1 TIP3 8839 32.808 52.224 67.444 1.00 0.00 SOLV H ATOM 28547 H2 TIP3 8839 34.175 52.811 67.200 1.00 0.00 SOLV H ATOM 28548 OH2 TIP3 8840 26.963 37.984 66.607 1.00 0.00 SOLV O ATOM 28549 H1 TIP3 8840 26.610 37.084 66.493 1.00 0.00 SOLV H ATOM 28550 H2 TIP3 8840 26.166 38.448 66.956 1.00 0.00 SOLV H ATOM 28551 OH2 TIP3 8841 32.025 53.616 63.913 1.00 0.00 SOLV O ATOM 28552 H1 TIP3 8841 32.491 52.778 63.685 1.00 0.00 SOLV H ATOM 28553 H2 TIP3 8841 32.788 54.236 63.929 1.00 0.00 SOLV H ATOM 28554 OH2 TIP3 8842 33.353 51.400 63.112 1.00 0.00 SOLV O ATOM 28555 H1 TIP3 8842 33.138 50.754 62.427 1.00 0.00 SOLV H ATOM 28556 H2 TIP3 8842 33.450 50.823 63.901 1.00 0.00 SOLV H ATOM 28557 OH2 TIP3 8843 29.509 47.030 61.320 1.00 0.00 SOLV O ATOM 28558 H1 TIP3 8843 28.907 47.754 61.050 1.00 0.00 SOLV H ATOM 28559 H2 TIP3 8843 30.152 47.024 60.585 1.00 0.00 SOLV H ATOM 28560 OH2 TIP3 8844 29.640 45.605 57.868 1.00 0.00 SOLV O ATOM 28561 H1 TIP3 8844 30.242 45.903 58.574 1.00 0.00 SOLV H ATOM 28562 H2 TIP3 8844 30.217 44.953 57.409 1.00 0.00 SOLV H ATOM 28563 OH2 TIP3 8845 33.006 47.274 61.971 1.00 0.00 SOLV O ATOM 28564 H1 TIP3 8845 32.339 47.437 62.674 1.00 0.00 SOLV H ATOM 28565 H2 TIP3 8845 33.691 46.792 62.481 1.00 0.00 SOLV H ATOM 28566 OH2 TIP3 8846 24.504 47.805 64.140 1.00 0.00 SOLV O ATOM 28567 H1 TIP3 8846 24.215 47.492 63.253 1.00 0.00 SOLV H ATOM 28568 H2 TIP3 8846 25.112 47.090 64.415 1.00 0.00 SOLV H ATOM 28569 OH2 TIP3 8847 25.677 51.114 66.428 1.00 0.00 SOLV O ATOM 28570 H1 TIP3 8847 25.790 51.333 65.479 1.00 0.00 SOLV H ATOM 28571 H2 TIP3 8847 26.450 50.551 66.624 1.00 0.00 SOLV H ATOM 28572 OH2 TIP3 8848 24.858 46.569 67.566 1.00 0.00 SOLV O ATOM 28573 H1 TIP3 8848 25.358 46.385 66.736 1.00 0.00 SOLV H ATOM 28574 H2 TIP3 8848 25.176 47.448 67.823 1.00 0.00 SOLV H ATOM 28575 OH2 TIP3 8849 31.211 52.498 68.539 1.00 0.00 SOLV O ATOM 28576 H1 TIP3 8849 31.936 52.702 69.175 1.00 0.00 SOLV H ATOM 28577 H2 TIP3 8849 30.935 51.610 68.816 1.00 0.00 SOLV H ATOM 28578 OH2 TIP3 8850 31.674 46.533 59.656 1.00 0.00 SOLV O ATOM 28579 H1 TIP3 8850 32.204 46.900 60.398 1.00 0.00 SOLV H ATOM 28580 H2 TIP3 8850 32.217 46.846 58.888 1.00 0.00 SOLV H ATOM 28581 OH2 TIP3 8851 29.528 52.895 63.224 1.00 0.00 SOLV O ATOM 28582 H1 TIP3 8851 30.418 53.173 63.535 1.00 0.00 SOLV H ATOM 28583 H2 TIP3 8851 29.206 53.714 62.825 1.00 0.00 SOLV H ATOM 28584 OH2 TIP3 8852 35.517 38.021 59.599 1.00 0.00 SOLV O ATOM 28585 H1 TIP3 8852 34.647 38.383 59.855 1.00 0.00 SOLV H ATOM 28586 H2 TIP3 8852 35.960 38.835 59.268 1.00 0.00 SOLV H ATOM 28587 OH2 TIP3 8853 23.571 46.992 61.622 1.00 0.00 SOLV O ATOM 28588 H1 TIP3 8853 23.116 47.641 61.045 1.00 0.00 SOLV H ATOM 28589 H2 TIP3 8853 23.171 46.164 61.335 1.00 0.00 SOLV H ATOM 28590 OH2 TIP3 8854 36.711 52.414 58.012 1.00 0.00 SOLV O ATOM 28591 H1 TIP3 8854 36.945 53.360 58.125 1.00 0.00 SOLV H ATOM 28592 H2 TIP3 8854 37.598 51.997 58.068 1.00 0.00 SOLV H ATOM 28593 OH2 TIP3 8855 19.551 52.375 66.954 1.00 0.00 SOLV O ATOM 28594 H1 TIP3 8855 20.434 52.132 67.265 1.00 0.00 SOLV H ATOM 28595 H2 TIP3 8855 19.187 52.893 67.689 1.00 0.00 SOLV H ATOM 28596 OH2 TIP3 8856 29.282 55.840 61.700 1.00 0.00 SOLV O ATOM 28597 H1 TIP3 8856 29.047 55.958 60.764 1.00 0.00 SOLV H ATOM 28598 H2 TIP3 8856 28.999 56.687 62.095 1.00 0.00 SOLV H ATOM 28599 OH2 TIP3 8857 22.609 54.773 63.640 1.00 0.00 SOLV O ATOM 28600 H1 TIP3 8857 22.792 54.457 64.552 1.00 0.00 SOLV H ATOM 28601 H2 TIP3 8857 22.159 54.003 63.252 1.00 0.00 SOLV H ATOM 28602 OH2 TIP3 8858 32.020 55.328 58.490 1.00 0.00 SOLV O ATOM 28603 H1 TIP3 8858 32.560 54.589 58.133 1.00 0.00 SOLV H ATOM 28604 H2 TIP3 8858 32.135 55.202 59.456 1.00 0.00 SOLV H ATOM 28605 OH2 TIP3 8859 31.891 55.191 61.271 1.00 0.00 SOLV O ATOM 28606 H1 TIP3 8859 30.945 55.336 61.491 1.00 0.00 SOLV H ATOM 28607 H2 TIP3 8859 32.173 54.662 62.037 1.00 0.00 SOLV H ATOM 28608 OH2 TIP3 8860 24.709 39.148 67.577 1.00 0.00 SOLV O ATOM 28609 H1 TIP3 8860 23.830 39.253 67.163 1.00 0.00 SOLV H ATOM 28610 H2 TIP3 8860 24.821 39.994 68.061 1.00 0.00 SOLV H ATOM 28611 OH2 TIP3 8861 33.279 47.290 57.644 1.00 0.00 SOLV O ATOM 28612 H1 TIP3 8861 33.137 47.379 56.676 1.00 0.00 SOLV H ATOM 28613 H2 TIP3 8861 34.251 47.365 57.672 1.00 0.00 SOLV H ATOM 28614 OH2 TIP3 8862 28.643 41.218 58.167 1.00 0.00 SOLV O ATOM 28615 H1 TIP3 8862 28.081 41.047 58.946 1.00 0.00 SOLV H ATOM 28616 H2 TIP3 8862 28.289 40.548 57.550 1.00 0.00 SOLV H ATOM 28617 OH2 TIP3 8863 24.299 44.089 68.663 1.00 0.00 SOLV O ATOM 28618 H1 TIP3 8863 23.429 44.397 68.962 1.00 0.00 SOLV H ATOM 28619 H2 TIP3 8863 24.643 44.909 68.246 1.00 0.00 SOLV H ATOM 28620 OH2 TIP3 8864 24.648 44.165 63.596 1.00 0.00 SOLV O ATOM 28621 H1 TIP3 8864 23.676 44.061 63.504 1.00 0.00 SOLV H ATOM 28622 H2 TIP3 8864 24.928 43.934 62.680 1.00 0.00 SOLV H ATOM 28623 OH2 TIP3 8865 30.129 44.555 62.436 1.00 0.00 SOLV O ATOM 28624 H1 TIP3 8865 29.912 45.424 62.033 1.00 0.00 SOLV H ATOM 28625 H2 TIP3 8865 30.837 44.239 61.829 1.00 0.00 SOLV H ATOM 28626 OH2 TIP3 8866 30.951 44.071 64.999 1.00 0.00 SOLV O ATOM 28627 H1 TIP3 8866 30.628 44.509 64.177 1.00 0.00 SOLV H ATOM 28628 H2 TIP3 8866 31.368 43.297 64.563 1.00 0.00 SOLV H ATOM 28629 OH2 TIP3 8867 25.481 41.568 57.039 1.00 0.00 SOLV O ATOM 28630 H1 TIP3 8867 25.142 41.497 57.951 1.00 0.00 SOLV H ATOM 28631 H2 TIP3 8867 24.986 42.347 56.718 1.00 0.00 SOLV H ATOM 28632 OH2 TIP3 8868 18.917 41.278 64.226 1.00 0.00 SOLV O ATOM 28633 H1 TIP3 8868 19.544 41.385 64.966 1.00 0.00 SOLV H ATOM 28634 H2 TIP3 8868 19.488 41.104 63.462 1.00 0.00 SOLV H ATOM 28635 OH2 TIP3 8869 19.742 42.102 59.560 1.00 0.00 SOLV O ATOM 28636 H1 TIP3 8869 20.433 42.519 58.999 1.00 0.00 SOLV H ATOM 28637 H2 TIP3 8869 19.220 42.899 59.773 1.00 0.00 SOLV H ATOM 28638 OH2 TIP3 8870 27.525 41.574 64.427 1.00 0.00 SOLV O ATOM 28639 H1 TIP3 8870 26.620 41.641 64.792 1.00 0.00 SOLV H ATOM 28640 H2 TIP3 8870 28.039 41.262 65.197 1.00 0.00 SOLV H ATOM 28641 OH2 TIP3 8871 22.025 43.377 63.345 1.00 0.00 SOLV O ATOM 28642 H1 TIP3 8871 21.235 43.680 62.837 1.00 0.00 SOLV H ATOM 28643 H2 TIP3 8871 22.194 42.489 62.979 1.00 0.00 SOLV H ATOM 28644 OH2 TIP3 8872 25.308 43.383 61.075 1.00 0.00 SOLV O ATOM 28645 H1 TIP3 8872 26.284 43.372 61.125 1.00 0.00 SOLV H ATOM 28646 H2 TIP3 8872 25.138 43.829 60.212 1.00 0.00 SOLV H ATOM 28647 OH2 TIP3 8873 31.397 41.247 67.744 1.00 0.00 SOLV O ATOM 28648 H1 TIP3 8873 31.355 40.704 68.543 1.00 0.00 SOLV H ATOM 28649 H2 TIP3 8873 30.729 40.818 67.176 1.00 0.00 SOLV H ATOM 28650 OH2 TIP3 8874 24.712 44.420 58.643 1.00 0.00 SOLV O ATOM 28651 H1 TIP3 8874 24.183 44.201 57.853 1.00 0.00 SOLV H ATOM 28652 H2 TIP3 8874 25.484 44.858 58.223 1.00 0.00 SOLV H ATOM 28653 OH2 TIP3 8875 28.409 44.469 66.234 1.00 0.00 SOLV O ATOM 28654 H1 TIP3 8875 29.151 44.295 65.627 1.00 0.00 SOLV H ATOM 28655 H2 TIP3 8875 28.754 44.056 67.042 1.00 0.00 SOLV H ATOM 28656 OH2 TIP3 8876 23.260 40.738 62.952 1.00 0.00 SOLV O ATOM 28657 H1 TIP3 8876 22.686 39.977 63.195 1.00 0.00 SOLV H ATOM 28658 H2 TIP3 8876 23.703 40.395 62.164 1.00 0.00 SOLV H ATOM 28659 OH2 TIP3 8877 27.630 49.015 60.556 1.00 0.00 SOLV O ATOM 28660 H1 TIP3 8877 26.888 48.575 60.092 1.00 0.00 SOLV H ATOM 28661 H2 TIP3 8877 27.215 49.212 61.430 1.00 0.00 SOLV H ATOM 28662 OH2 TIP3 8878 31.224 41.591 58.959 1.00 0.00 SOLV O ATOM 28663 H1 TIP3 8878 30.322 41.600 58.563 1.00 0.00 SOLV H ATOM 28664 H2 TIP3 8878 31.432 42.538 59.010 1.00 0.00 SOLV H ATOM 28665 OH2 TIP3 8879 32.125 43.919 60.651 1.00 0.00 SOLV O ATOM 28666 H1 TIP3 8879 33.055 43.752 60.883 1.00 0.00 SOLV H ATOM 28667 H2 TIP3 8879 32.167 44.778 60.190 1.00 0.00 SOLV H ATOM 28668 OH2 TIP3 8880 22.927 48.426 66.337 1.00 0.00 SOLV O ATOM 28669 H1 TIP3 8880 23.410 48.350 65.488 1.00 0.00 SOLV H ATOM 28670 H2 TIP3 8880 23.414 47.788 66.881 1.00 0.00 SOLV H ATOM 28671 OH2 TIP3 8881 29.734 50.520 59.685 1.00 0.00 SOLV O ATOM 28672 H1 TIP3 8881 29.359 51.429 59.763 1.00 0.00 SOLV H ATOM 28673 H2 TIP3 8881 28.978 49.976 59.992 1.00 0.00 SOLV H ATOM 28674 OH2 TIP3 8882 36.827 44.277 60.226 1.00 0.00 SOLV O ATOM 28675 H1 TIP3 8882 36.333 44.123 59.383 1.00 0.00 SOLV H ATOM 28676 H2 TIP3 8882 37.095 45.205 60.041 1.00 0.00 SOLV H ATOM 28677 OH2 TIP3 8883 35.502 52.823 60.590 1.00 0.00 SOLV O ATOM 28678 H1 TIP3 8883 34.919 52.131 60.933 1.00 0.00 SOLV H ATOM 28679 H2 TIP3 8883 35.741 52.489 59.708 1.00 0.00 SOLV H ATOM 28680 OH2 TIP3 8884 32.519 47.603 67.344 1.00 0.00 SOLV O ATOM 28681 H1 TIP3 8884 31.563 47.595 67.151 1.00 0.00 SOLV H ATOM 28682 H2 TIP3 8884 32.852 46.890 66.764 1.00 0.00 SOLV H ATOM 28683 OH2 TIP3 8885 25.392 52.027 63.817 1.00 0.00 SOLV O ATOM 28684 H1 TIP3 8885 25.644 52.900 63.453 1.00 0.00 SOLV H ATOM 28685 H2 TIP3 8885 24.465 51.979 63.553 1.00 0.00 SOLV H ATOM 28686 OH2 TIP3 8886 21.068 46.652 58.347 1.00 0.00 SOLV O ATOM 28687 H1 TIP3 8886 21.529 47.358 58.851 1.00 0.00 SOLV H ATOM 28688 H2 TIP3 8886 20.162 46.727 58.721 1.00 0.00 SOLV H ATOM 28689 OH2 TIP3 8887 26.294 49.565 62.840 1.00 0.00 SOLV O ATOM 28690 H1 TIP3 8887 26.148 50.458 63.205 1.00 0.00 SOLV H ATOM 28691 H2 TIP3 8887 25.705 49.021 63.392 1.00 0.00 SOLV H ATOM 28692 OH2 TIP3 8888 25.263 54.747 62.705 1.00 0.00 SOLV O ATOM 28693 H1 TIP3 8888 24.339 54.942 62.954 1.00 0.00 SOLV H ATOM 28694 H2 TIP3 8888 25.714 55.561 63.030 1.00 0.00 SOLV H ATOM 28695 OH2 TIP3 8889 33.218 50.877 58.386 1.00 0.00 SOLV O ATOM 28696 H1 TIP3 8889 33.460 50.390 59.208 1.00 0.00 SOLV H ATOM 28697 H2 TIP3 8889 32.277 50.653 58.315 1.00 0.00 SOLV H ATOM 28698 OH2 TIP3 8890 37.384 55.079 58.558 1.00 0.00 SOLV O ATOM 28699 H1 TIP3 8890 37.950 55.837 58.341 1.00 0.00 SOLV H ATOM 28700 H2 TIP3 8890 36.578 55.557 58.846 1.00 0.00 SOLV H ATOM 28701 OH2 TIP3 8891 33.969 49.536 60.682 1.00 0.00 SOLV O ATOM 28702 H1 TIP3 8891 33.569 48.758 61.121 1.00 0.00 SOLV H ATOM 28703 H2 TIP3 8891 34.921 49.312 60.769 1.00 0.00 SOLV H ATOM 28704 OH2 TIP3 8892 26.938 51.881 56.881 1.00 0.00 SOLV O ATOM 28705 H1 TIP3 8892 26.981 51.002 56.459 1.00 0.00 SOLV H ATOM 28706 H2 TIP3 8892 26.439 51.680 57.696 1.00 0.00 SOLV H ATOM 28707 OH2 TIP3 8893 25.634 51.540 59.320 1.00 0.00 SOLV O ATOM 28708 H1 TIP3 8893 26.283 51.058 59.851 1.00 0.00 SOLV H ATOM 28709 H2 TIP3 8893 25.770 52.463 59.634 1.00 0.00 SOLV H ATOM 28710 OH2 TIP3 8894 22.132 48.660 59.905 1.00 0.00 SOLV O ATOM 28711 H1 TIP3 8894 21.402 49.141 60.350 1.00 0.00 SOLV H ATOM 28712 H2 TIP3 8894 22.551 49.401 59.421 1.00 0.00 SOLV H ATOM 28713 OH2 TIP3 8895 31.020 40.599 61.529 1.00 0.00 SOLV O ATOM 28714 H1 TIP3 8895 31.081 40.984 60.624 1.00 0.00 SOLV H ATOM 28715 H2 TIP3 8895 31.435 41.306 62.063 1.00 0.00 SOLV H ATOM 28716 OH2 TIP3 8896 28.631 52.973 59.896 1.00 0.00 SOLV O ATOM 28717 H1 TIP3 8896 27.739 53.314 60.100 1.00 0.00 SOLV H ATOM 28718 H2 TIP3 8896 29.063 53.792 59.607 1.00 0.00 SOLV H ATOM 28719 OH2 TIP3 8897 27.942 42.897 62.039 1.00 0.00 SOLV O ATOM 28720 H1 TIP3 8897 28.715 43.489 62.173 1.00 0.00 SOLV H ATOM 28721 H2 TIP3 8897 27.805 42.559 62.950 1.00 0.00 SOLV H ATOM 28722 OH2 TIP3 8898 28.657 39.593 62.595 1.00 0.00 SOLV O ATOM 28723 H1 TIP3 8898 28.463 40.296 63.247 1.00 0.00 SOLV H ATOM 28724 H2 TIP3 8898 29.523 39.912 62.245 1.00 0.00 SOLV H ATOM 28725 OH2 TIP3 8899 26.146 54.075 60.191 1.00 0.00 SOLV O ATOM 28726 H1 TIP3 8899 26.163 54.935 59.712 1.00 0.00 SOLV H ATOM 28727 H2 TIP3 8899 25.833 54.359 61.079 1.00 0.00 SOLV H ATOM 28728 OH2 TIP3 8900 24.651 41.089 59.638 1.00 0.00 SOLV O ATOM 28729 H1 TIP3 8900 24.657 41.905 60.179 1.00 0.00 SOLV H ATOM 28730 H2 TIP3 8900 25.543 40.746 59.868 1.00 0.00 SOLV H ATOM 28731 OH2 TIP3 8901 33.409 45.272 65.905 1.00 0.00 SOLV O ATOM 28732 H1 TIP3 8901 32.594 44.798 65.651 1.00 0.00 SOLV H ATOM 28733 H2 TIP3 8901 33.899 44.604 66.428 1.00 0.00 SOLV H ATOM 28734 OH2 TIP3 8902 22.998 50.933 58.491 1.00 0.00 SOLV O ATOM 28735 H1 TIP3 8902 23.801 51.339 58.882 1.00 0.00 SOLV H ATOM 28736 H2 TIP3 8902 23.438 50.391 57.798 1.00 0.00 SOLV H ATOM 28737 OH2 TIP3 8903 20.966 43.930 57.943 1.00 0.00 SOLV O ATOM 28738 H1 TIP3 8903 21.199 44.843 58.203 1.00 0.00 SOLV H ATOM 28739 H2 TIP3 8903 20.468 44.085 57.133 1.00 0.00 SOLV H ATOM 28740 OH2 TIP3 8904 34.739 54.471 67.596 1.00 0.00 SOLV O ATOM 28741 H1 TIP3 8904 34.512 55.255 67.052 1.00 0.00 SOLV H ATOM 28742 H2 TIP3 8904 35.701 54.606 67.715 1.00 0.00 SOLV H ATOM 28743 OH2 TIP3 8905 22.119 38.985 66.385 1.00 0.00 SOLV O ATOM 28744 H1 TIP3 8905 22.083 38.844 65.415 1.00 0.00 SOLV H ATOM 28745 H2 TIP3 8905 21.834 38.101 66.706 1.00 0.00 SOLV H ATOM 28746 OH2 TIP3 8906 20.911 52.680 62.235 1.00 0.00 SOLV O ATOM 28747 H1 TIP3 8906 20.257 52.871 62.920 1.00 0.00 SOLV H ATOM 28748 H2 TIP3 8906 20.746 53.403 61.581 1.00 0.00 SOLV H ATOM 28749 OH2 TIP3 8907 29.009 53.704 56.815 1.00 0.00 SOLV O ATOM 28750 H1 TIP3 8907 28.327 52.998 56.901 1.00 0.00 SOLV H ATOM 28751 H2 TIP3 8907 29.779 53.190 56.502 1.00 0.00 SOLV H ATOM 28752 OH2 TIP3 8908 33.420 53.328 57.183 1.00 0.00 SOLV O ATOM 28753 H1 TIP3 8908 33.507 52.485 57.680 1.00 0.00 SOLV H ATOM 28754 H2 TIP3 8908 34.191 53.298 56.586 1.00 0.00 SOLV H ATOM 28755 OH2 TIP3 8909 24.400 49.164 57.041 1.00 0.00 SOLV O ATOM 28756 H1 TIP3 8909 24.753 48.689 57.820 1.00 0.00 SOLV H ATOM 28757 H2 TIP3 8909 25.230 49.265 56.522 1.00 0.00 SOLV H ATOM 28758 OH2 TIP3 8910 30.264 50.538 56.989 1.00 0.00 SOLV O ATOM 28759 H1 TIP3 8910 29.980 50.471 57.924 1.00 0.00 SOLV H ATOM 28760 H2 TIP3 8910 30.132 49.610 56.690 1.00 0.00 SOLV H ATOM 28761 OH2 TIP3 8911 25.589 47.645 59.241 1.00 0.00 SOLV O ATOM 28762 H1 TIP3 8911 25.111 47.101 59.884 1.00 0.00 SOLV H ATOM 28763 H2 TIP3 8911 26.068 46.966 58.716 1.00 0.00 SOLV H ATOM 28764 OH2 TIP3 8912 26.858 45.778 57.643 1.00 0.00 SOLV O ATOM 28765 H1 TIP3 8912 26.888 46.073 56.708 1.00 0.00 SOLV H ATOM 28766 H2 TIP3 8912 27.807 45.560 57.780 1.00 0.00 SOLV H ATOM 28767 OH2 TIP3 8913 35.974 47.720 57.109 1.00 0.00 SOLV O ATOM 28768 H1 TIP3 8913 36.300 47.370 56.265 1.00 0.00 SOLV H ATOM 28769 H2 TIP3 8913 35.749 48.653 56.890 1.00 0.00 SOLV H ATOM 28770 OH2 TIP3 8914 26.687 56.431 58.835 1.00 0.00 SOLV O ATOM 28771 H1 TIP3 8914 27.625 56.159 58.819 1.00 0.00 SOLV H ATOM 28772 H2 TIP3 8914 26.717 57.154 58.178 1.00 0.00 SOLV H ATOM 28773 OH2 TIP3 8915 20.280 51.111 58.111 1.00 0.00 SOLV O ATOM 28774 H1 TIP3 8915 21.256 51.146 58.231 1.00 0.00 SOLV H ATOM 28775 H2 TIP3 8915 20.195 50.366 57.477 1.00 0.00 SOLV H ATOM 28776 OH2 TIP3 8916 18.784 56.295 63.437 1.00 0.00 SOLV O ATOM 28777 H1 TIP3 8916 18.854 55.767 62.627 1.00 0.00 SOLV H ATOM 28778 H2 TIP3 8916 19.106 55.641 64.099 1.00 0.00 SOLV H ATOM 28779 OH2 TIP3 8917 19.702 54.268 65.019 1.00 0.00 SOLV O ATOM 28780 H1 TIP3 8917 19.418 53.474 65.523 1.00 0.00 SOLV H ATOM 28781 H2 TIP3 8917 20.230 54.700 65.715 1.00 0.00 SOLV H ATOM 28782 OH2 TIP3 8918 37.449 54.820 68.160 1.00 0.00 SOLV O ATOM 28783 H1 TIP3 8918 37.433 55.132 69.091 1.00 0.00 SOLV H ATOM 28784 H2 TIP3 8918 38.211 55.312 67.809 1.00 0.00 SOLV H ATOM 28785 OH2 TIP3 8919 36.632 48.820 61.056 1.00 0.00 SOLV O ATOM 28786 H1 TIP3 8919 37.417 49.405 61.073 1.00 0.00 SOLV H ATOM 28787 H2 TIP3 8919 36.815 48.227 61.818 1.00 0.00 SOLV H ATOM 28788 OH2 TIP3 8920 37.105 46.896 62.960 1.00 0.00 SOLV O ATOM 28789 H1 TIP3 8920 36.238 46.525 63.236 1.00 0.00 SOLV H ATOM 28790 H2 TIP3 8920 37.590 46.966 63.807 1.00 0.00 SOLV H ATOM 28791 OH2 TIP3 8921 37.289 49.911 68.206 1.00 0.00 SOLV O ATOM 28792 H1 TIP3 8921 37.584 49.215 67.599 1.00 0.00 SOLV H ATOM 28793 H2 TIP3 8921 37.288 50.701 67.635 1.00 0.00 SOLV H ATOM 28794 OH2 TIP3 8922 37.344 46.813 59.308 1.00 0.00 SOLV O ATOM 28795 H1 TIP3 8922 36.819 47.034 58.505 1.00 0.00 SOLV H ATOM 28796 H2 TIP3 8922 37.030 47.518 59.912 1.00 0.00 SOLV H ATOM 28797 OH2 TIP3 8923 35.622 44.073 57.819 1.00 0.00 SOLV O ATOM 28798 H1 TIP3 8923 35.804 44.562 57.009 1.00 0.00 SOLV H ATOM 28799 H2 TIP3 8923 35.427 43.182 57.453 1.00 0.00 SOLV H ATOM 28800 OH2 TIP3 8924 34.702 45.659 63.467 1.00 0.00 SOLV O ATOM 28801 H1 TIP3 8924 34.686 44.753 63.110 1.00 0.00 SOLV H ATOM 28802 H2 TIP3 8924 34.285 45.553 64.349 1.00 0.00 SOLV H ATOM 28803 OH2 TIP3 8925 19.661 47.374 67.442 1.00 0.00 SOLV O ATOM 28804 H1 TIP3 8925 19.841 47.258 66.485 1.00 0.00 SOLV H ATOM 28805 H2 TIP3 8925 20.529 47.654 67.765 1.00 0.00 SOLV H ATOM 28806 OH2 TIP3 8926 35.205 41.630 56.719 1.00 0.00 SOLV O ATOM 28807 H1 TIP3 8926 35.644 41.061 57.380 1.00 0.00 SOLV H ATOM 28808 H2 TIP3 8926 34.317 41.206 56.669 1.00 0.00 SOLV H ATOM 28809 OH2 TIP3 8927 34.682 43.174 61.883 1.00 0.00 SOLV O ATOM 28810 H1 TIP3 8927 34.915 42.214 61.889 1.00 0.00 SOLV H ATOM 28811 H2 TIP3 8927 35.432 43.520 61.359 1.00 0.00 SOLV H ATOM 28812 OH2 TIP3 8928 35.010 43.331 67.226 1.00 0.00 SOLV O ATOM 28813 H1 TIP3 8928 35.925 43.665 67.317 1.00 0.00 SOLV H ATOM 28814 H2 TIP3 8928 34.928 42.711 67.986 1.00 0.00 SOLV H ATOM 28815 OH2 TIP3 8929 35.172 40.467 61.949 1.00 0.00 SOLV O ATOM 28816 H1 TIP3 8929 35.394 40.001 62.782 1.00 0.00 SOLV H ATOM 28817 H2 TIP3 8929 34.511 39.854 61.566 1.00 0.00 SOLV H ATOM 28818 OH2 TIP3 8930 20.517 41.199 66.519 1.00 0.00 SOLV O ATOM 28819 H1 TIP3 8930 20.996 40.344 66.477 1.00 0.00 SOLV H ATOM 28820 H2 TIP3 8930 21.282 41.796 66.653 1.00 0.00 SOLV H ATOM 28821 OH2 TIP3 8931 18.802 44.396 67.470 1.00 0.00 SOLV O ATOM 28822 H1 TIP3 8931 19.491 44.224 66.797 1.00 0.00 SOLV H ATOM 28823 H2 TIP3 8931 18.968 45.334 67.660 1.00 0.00 SOLV H ATOM 28824 OH2 TIP3 8932 36.808 40.208 58.562 1.00 0.00 SOLV O ATOM 28825 H1 TIP3 8932 37.248 39.660 57.878 1.00 0.00 SOLV H ATOM 28826 H2 TIP3 8932 37.535 40.798 58.855 1.00 0.00 SOLV H ATOM 28827 OH2 TIP3 8933 19.367 40.236 61.489 1.00 0.00 SOLV O ATOM 28828 H1 TIP3 8933 18.396 40.260 61.546 1.00 0.00 SOLV H ATOM 28829 H2 TIP3 8933 19.546 40.971 60.864 1.00 0.00 SOLV H ATOM 28830 OH2 TIP3 8934 34.008 55.406 63.576 1.00 0.00 SOLV O ATOM 28831 H1 TIP3 8934 34.785 55.418 62.980 1.00 0.00 SOLV H ATOM 28832 H2 TIP3 8934 34.375 55.771 64.402 1.00 0.00 SOLV H ATOM 28833 OH2 TIP3 8935 29.309 56.255 68.070 1.00 0.00 SOLV O ATOM 28834 H1 TIP3 8935 28.477 56.612 67.724 1.00 0.00 SOLV H ATOM 28835 H2 TIP3 8935 29.260 56.411 69.023 1.00 0.00 SOLV H ATOM 28836 OH2 TIP3 8936 21.212 55.258 67.241 1.00 0.00 SOLV O ATOM 28837 H1 TIP3 8936 21.521 55.282 68.180 1.00 0.00 SOLV H ATOM 28838 H2 TIP3 8936 21.934 54.710 66.857 1.00 0.00 SOLV H ATOM 28839 OH2 TIP3 8937 23.222 53.800 66.143 1.00 0.00 SOLV O ATOM 28840 H1 TIP3 8937 23.116 52.866 66.440 1.00 0.00 SOLV H ATOM 28841 H2 TIP3 8937 24.156 53.967 66.400 1.00 0.00 SOLV H ATOM 28842 OH2 TIP3 8938 25.905 54.028 66.993 1.00 0.00 SOLV O ATOM 28843 H1 TIP3 8938 26.133 53.137 66.679 1.00 0.00 SOLV H ATOM 28844 H2 TIP3 8938 26.218 53.972 67.905 1.00 0.00 SOLV H ATOM 28845 OH2 TIP3 8939 29.314 40.032 66.035 1.00 0.00 SOLV O ATOM 28846 H1 TIP3 8939 28.780 39.269 66.315 1.00 0.00 SOLV H ATOM 28847 H2 TIP3 8939 30.102 39.564 65.674 1.00 0.00 SOLV H ATOM 28848 OH2 TIP3 8940 34.222 38.236 65.967 1.00 0.00 SOLV O ATOM 28849 H1 TIP3 8940 34.949 38.690 65.482 1.00 0.00 SOLV H ATOM 28850 H2 TIP3 8940 33.529 38.909 65.923 1.00 0.00 SOLV H ATOM 28851 OH2 TIP3 8941 36.042 39.189 64.218 1.00 0.00 SOLV O ATOM 28852 H1 TIP3 8941 36.760 38.596 63.898 1.00 0.00 SOLV H ATOM 28853 H2 TIP3 8941 36.565 40.005 64.394 1.00 0.00 SOLV H ATOM 28854 OH2 TIP3 8942 21.735 38.560 63.652 1.00 0.00 SOLV O ATOM 28855 H1 TIP3 8942 20.793 38.419 63.409 1.00 0.00 SOLV H ATOM 28856 H2 TIP3 8942 22.081 37.653 63.507 1.00 0.00 SOLV H ATOM 28857 OH2 TIP3 8943 20.573 38.434 59.606 1.00 0.00 SOLV O ATOM 28858 H1 TIP3 8943 21.107 39.057 59.081 1.00 0.00 SOLV H ATOM 28859 H2 TIP3 8943 20.218 39.012 60.312 1.00 0.00 SOLV H ATOM 28860 OH2 TIP3 8944 26.431 38.176 63.678 1.00 0.00 SOLV O ATOM 28861 H1 TIP3 8944 27.151 38.659 63.234 1.00 0.00 SOLV H ATOM 28862 H2 TIP3 8944 26.572 38.420 64.606 1.00 0.00 SOLV H ATOM 28863 OH2 TIP3 8945 31.445 38.754 64.853 1.00 0.00 SOLV O ATOM 28864 H1 TIP3 8945 31.888 39.026 64.041 1.00 0.00 SOLV H ATOM 28865 H2 TIP3 8945 31.652 37.812 64.903 1.00 0.00 SOLV H ATOM 28866 OH2 TIP3 8946 33.172 38.798 60.960 1.00 0.00 SOLV O ATOM 28867 H1 TIP3 8946 32.374 39.358 60.966 1.00 0.00 SOLV H ATOM 28868 H2 TIP3 8946 32.785 37.906 61.078 1.00 0.00 SOLV H ATOM 28869 OH2 TIP3 8947 20.411 54.741 60.563 1.00 0.00 SOLV O ATOM 28870 H1 TIP3 8947 19.675 54.611 59.936 1.00 0.00 SOLV H ATOM 28871 H2 TIP3 8947 20.706 55.628 60.262 1.00 0.00 SOLV H ATOM 28872 OH2 TIP3 8948 22.524 40.110 57.959 1.00 0.00 SOLV O ATOM 28873 H1 TIP3 8948 23.051 39.557 57.348 1.00 0.00 SOLV H ATOM 28874 H2 TIP3 8948 23.214 40.433 58.575 1.00 0.00 SOLV H ATOM 28875 OH2 TIP3 8949 27.250 40.741 60.498 1.00 0.00 SOLV O ATOM 28876 H1 TIP3 8949 27.658 40.074 61.080 1.00 0.00 SOLV H ATOM 28877 H2 TIP3 8949 27.529 41.559 60.965 1.00 0.00 SOLV H ATOM 28878 OH2 TIP3 8950 29.281 55.534 58.810 1.00 0.00 SOLV O ATOM 28879 H1 TIP3 8950 30.245 55.684 58.710 1.00 0.00 SOLV H ATOM 28880 H2 TIP3 8950 29.129 54.985 58.005 1.00 0.00 SOLV H ATOM 28881 OH2 TIP3 8951 36.084 55.250 61.723 1.00 0.00 SOLV O ATOM 28882 H1 TIP3 8951 35.901 54.341 61.385 1.00 0.00 SOLV H ATOM 28883 H2 TIP3 8951 35.867 55.780 60.929 1.00 0.00 SOLV H ATOM 28884 OH2 TIP3 8952 22.271 55.225 57.228 1.00 0.00 SOLV O ATOM 28885 H1 TIP3 8952 22.235 55.256 58.192 1.00 0.00 SOLV H ATOM 28886 H2 TIP3 8952 23.070 54.661 57.082 1.00 0.00 SOLV H ATOM 28887 OH2 TIP3 8953 49.685 47.791 63.596 1.00 0.00 SOLV O ATOM 28888 H1 TIP3 8953 49.586 48.762 63.493 1.00 0.00 SOLV H ATOM 28889 H2 TIP3 8953 49.084 47.497 62.884 1.00 0.00 SOLV H ATOM 28890 OH2 TIP3 8954 48.620 47.118 67.295 1.00 0.00 SOLV O ATOM 28891 H1 TIP3 8954 48.625 46.392 67.938 1.00 0.00 SOLV H ATOM 28892 H2 TIP3 8954 48.299 46.684 66.493 1.00 0.00 SOLV H ATOM 28893 OH2 TIP3 8955 52.335 49.936 65.477 1.00 0.00 SOLV O ATOM 28894 H1 TIP3 8955 51.995 49.260 66.079 1.00 0.00 SOLV H ATOM 28895 H2 TIP3 8955 52.575 50.647 66.113 1.00 0.00 SOLV H ATOM 28896 OH2 TIP3 8956 41.902 51.214 66.977 1.00 0.00 SOLV O ATOM 28897 H1 TIP3 8956 41.659 50.284 66.791 1.00 0.00 SOLV H ATOM 28898 H2 TIP3 8956 42.878 51.140 66.949 1.00 0.00 SOLV H ATOM 28899 OH2 TIP3 8957 38.625 44.534 62.328 1.00 0.00 SOLV O ATOM 28900 H1 TIP3 8957 38.190 45.369 62.576 1.00 0.00 SOLV H ATOM 28901 H2 TIP3 8957 38.041 44.250 61.600 1.00 0.00 SOLV H ATOM 28902 OH2 TIP3 8958 39.086 46.808 64.869 1.00 0.00 SOLV O ATOM 28903 H1 TIP3 8958 39.367 45.891 65.083 1.00 0.00 SOLV H ATOM 28904 H2 TIP3 8958 39.851 47.147 64.387 1.00 0.00 SOLV H ATOM 28905 OH2 TIP3 8959 49.484 55.360 65.758 1.00 0.00 SOLV O ATOM 28906 H1 TIP3 8959 49.867 54.531 65.415 1.00 0.00 SOLV H ATOM 28907 H2 TIP3 8959 49.108 55.114 66.617 1.00 0.00 SOLV H ATOM 28908 OH2 TIP3 8960 46.694 49.617 67.633 1.00 0.00 SOLV O ATOM 28909 H1 TIP3 8960 47.114 48.845 67.222 1.00 0.00 SOLV H ATOM 28910 H2 TIP3 8960 47.456 49.941 68.159 1.00 0.00 SOLV H ATOM 28911 OH2 TIP3 8961 56.294 40.972 68.506 1.00 0.00 SOLV O ATOM 28912 H1 TIP3 8961 55.450 41.380 68.254 1.00 0.00 SOLV H ATOM 28913 H2 TIP3 8961 56.845 41.081 67.717 1.00 0.00 SOLV H ATOM 28914 OH2 TIP3 8962 49.431 43.971 67.879 1.00 0.00 SOLV O ATOM 28915 H1 TIP3 8962 50.020 43.314 68.281 1.00 0.00 SOLV H ATOM 28916 H2 TIP3 8962 49.774 44.041 66.970 1.00 0.00 SOLV H ATOM 28917 OH2 TIP3 8963 43.622 41.860 64.958 1.00 0.00 SOLV O ATOM 28918 H1 TIP3 8963 43.651 42.721 64.493 1.00 0.00 SOLV H ATOM 28919 H2 TIP3 8963 43.128 41.321 64.302 1.00 0.00 SOLV H ATOM 28920 OH2 TIP3 8964 51.117 42.068 63.731 1.00 0.00 SOLV O ATOM 28921 H1 TIP3 8964 51.822 41.766 64.357 1.00 0.00 SOLV H ATOM 28922 H2 TIP3 8964 51.681 42.369 62.995 1.00 0.00 SOLV H ATOM 28923 OH2 TIP3 8965 39.890 44.322 65.706 1.00 0.00 SOLV O ATOM 28924 H1 TIP3 8965 40.558 43.840 66.234 1.00 0.00 SOLV H ATOM 28925 H2 TIP3 8965 40.120 43.963 64.822 1.00 0.00 SOLV H ATOM 28926 OH2 TIP3 8966 44.955 45.756 65.267 1.00 0.00 SOLV O ATOM 28927 H1 TIP3 8966 45.763 45.259 65.520 1.00 0.00 SOLV H ATOM 28928 H2 TIP3 8966 44.513 45.119 64.660 1.00 0.00 SOLV H ATOM 28929 OH2 TIP3 8967 49.240 50.333 62.551 1.00 0.00 SOLV O ATOM 28930 H1 TIP3 8967 49.185 50.543 61.606 1.00 0.00 SOLV H ATOM 28931 H2 TIP3 8967 48.872 51.157 62.940 1.00 0.00 SOLV H ATOM 28932 OH2 TIP3 8968 52.640 41.401 65.789 1.00 0.00 SOLV O ATOM 28933 H1 TIP3 8968 53.142 40.668 66.173 1.00 0.00 SOLV H ATOM 28934 H2 TIP3 8968 53.077 42.163 66.234 1.00 0.00 SOLV H ATOM 28935 OH2 TIP3 8969 41.747 42.628 66.845 1.00 0.00 SOLV O ATOM 28936 H1 TIP3 8969 42.327 42.876 67.590 1.00 0.00 SOLV H ATOM 28937 H2 TIP3 8969 42.410 42.269 66.216 1.00 0.00 SOLV H ATOM 28938 OH2 TIP3 8970 39.022 50.359 60.876 1.00 0.00 SOLV O ATOM 28939 H1 TIP3 8970 38.915 50.843 60.036 1.00 0.00 SOLV H ATOM 28940 H2 TIP3 8970 39.349 51.073 61.466 1.00 0.00 SOLV H ATOM 28941 OH2 TIP3 8971 52.700 51.884 67.338 1.00 0.00 SOLV O ATOM 28942 H1 TIP3 8971 51.802 52.084 67.674 1.00 0.00 SOLV H ATOM 28943 H2 TIP3 8971 53.085 52.782 67.298 1.00 0.00 SOLV H ATOM 28944 OH2 TIP3 8972 45.682 37.821 66.522 1.00 0.00 SOLV O ATOM 28945 H1 TIP3 8972 45.323 36.915 66.600 1.00 0.00 SOLV H ATOM 28946 H2 TIP3 8972 44.952 38.343 66.933 1.00 0.00 SOLV H ATOM 28947 OH2 TIP3 8973 50.894 53.627 64.000 1.00 0.00 SOLV O ATOM 28948 H1 TIP3 8973 51.342 52.780 63.767 1.00 0.00 SOLV H ATOM 28949 H2 TIP3 8973 51.668 54.233 63.969 1.00 0.00 SOLV H ATOM 28950 OH2 TIP3 8974 52.200 51.405 63.148 1.00 0.00 SOLV O ATOM 28951 H1 TIP3 8974 51.923 50.759 62.487 1.00 0.00 SOLV H ATOM 28952 H2 TIP3 8974 52.312 50.835 63.942 1.00 0.00 SOLV H ATOM 28953 OH2 TIP3 8975 48.383 47.012 61.318 1.00 0.00 SOLV O ATOM 28954 H1 TIP3 8975 47.743 47.714 61.072 1.00 0.00 SOLV H ATOM 28955 H2 TIP3 8975 49.007 47.048 60.571 1.00 0.00 SOLV H ATOM 28956 OH2 TIP3 8976 48.480 45.673 57.893 1.00 0.00 SOLV O ATOM 28957 H1 TIP3 8976 49.084 45.963 58.602 1.00 0.00 SOLV H ATOM 28958 H2 TIP3 8976 49.055 45.032 57.426 1.00 0.00 SOLV H ATOM 28959 OH2 TIP3 8977 51.865 47.264 61.960 1.00 0.00 SOLV O ATOM 28960 H1 TIP3 8977 51.193 47.434 62.657 1.00 0.00 SOLV H ATOM 28961 H2 TIP3 8977 52.545 46.783 62.478 1.00 0.00 SOLV H ATOM 28962 OH2 TIP3 8978 43.385 47.822 64.110 1.00 0.00 SOLV O ATOM 28963 H1 TIP3 8978 43.067 47.497 63.237 1.00 0.00 SOLV H ATOM 28964 H2 TIP3 8978 43.963 47.087 64.394 1.00 0.00 SOLV H ATOM 28965 OH2 TIP3 8979 44.610 51.197 66.457 1.00 0.00 SOLV O ATOM 28966 H1 TIP3 8979 44.623 51.373 65.490 1.00 0.00 SOLV H ATOM 28967 H2 TIP3 8979 45.344 50.565 66.575 1.00 0.00 SOLV H ATOM 28968 OH2 TIP3 8980 43.638 46.558 67.488 1.00 0.00 SOLV O ATOM 28969 H1 TIP3 8980 44.138 46.318 66.671 1.00 0.00 SOLV H ATOM 28970 H2 TIP3 8980 44.138 47.314 67.824 1.00 0.00 SOLV H ATOM 28971 OH2 TIP3 8981 50.320 52.314 68.620 1.00 0.00 SOLV O ATOM 28972 H1 TIP3 8981 49.982 52.903 69.311 1.00 0.00 SOLV H ATOM 28973 H2 TIP3 8981 49.676 51.582 68.655 1.00 0.00 SOLV H ATOM 28974 OH2 TIP3 8982 50.577 46.488 59.634 1.00 0.00 SOLV O ATOM 28975 H1 TIP3 8982 51.098 46.886 60.367 1.00 0.00 SOLV H ATOM 28976 H2 TIP3 8982 51.110 46.786 58.855 1.00 0.00 SOLV H ATOM 28977 OH2 TIP3 8983 48.422 52.849 63.273 1.00 0.00 SOLV O ATOM 28978 H1 TIP3 8983 49.305 53.172 63.559 1.00 0.00 SOLV H ATOM 28979 H2 TIP3 8983 48.021 53.649 62.919 1.00 0.00 SOLV H ATOM 28980 OH2 TIP3 8984 42.434 46.988 61.615 1.00 0.00 SOLV O ATOM 28981 H1 TIP3 8984 41.954 47.631 61.050 1.00 0.00 SOLV H ATOM 28982 H2 TIP3 8984 42.028 46.154 61.349 1.00 0.00 SOLV H ATOM 28983 OH2 TIP3 8985 55.569 52.448 58.059 1.00 0.00 SOLV O ATOM 28984 H1 TIP3 8985 55.819 53.394 58.142 1.00 0.00 SOLV H ATOM 28985 H2 TIP3 8985 56.452 52.019 58.074 1.00 0.00 SOLV H ATOM 28986 OH2 TIP3 8986 38.325 52.362 67.043 1.00 0.00 SOLV O ATOM 28987 H1 TIP3 8986 39.237 52.263 67.347 1.00 0.00 SOLV H ATOM 28988 H2 TIP3 8986 37.982 53.094 67.594 1.00 0.00 SOLV H ATOM 28989 OH2 TIP3 8987 48.161 56.209 61.501 1.00 0.00 SOLV O ATOM 28990 H1 TIP3 8987 47.983 56.036 60.558 1.00 0.00 SOLV H ATOM 28991 H2 TIP3 8987 47.627 57.005 61.649 1.00 0.00 SOLV H ATOM 28992 OH2 TIP3 8988 41.505 54.776 63.628 1.00 0.00 SOLV O ATOM 28993 H1 TIP3 8988 41.654 54.458 64.544 1.00 0.00 SOLV H ATOM 28994 H2 TIP3 8988 40.967 54.056 63.255 1.00 0.00 SOLV H ATOM 28995 OH2 TIP3 8989 50.888 55.331 58.499 1.00 0.00 SOLV O ATOM 28996 H1 TIP3 8989 51.427 54.592 58.139 1.00 0.00 SOLV H ATOM 28997 H2 TIP3 8989 50.986 55.191 59.465 1.00 0.00 SOLV H ATOM 28998 OH2 TIP3 8990 50.716 55.228 61.279 1.00 0.00 SOLV O ATOM 28999 H1 TIP3 8990 49.792 55.489 61.489 1.00 0.00 SOLV H ATOM 29000 H2 TIP3 8990 50.939 54.671 62.044 1.00 0.00 SOLV H ATOM 29001 OH2 TIP3 8991 43.545 39.208 67.448 1.00 0.00 SOLV O ATOM 29002 H1 TIP3 8991 42.616 39.289 67.167 1.00 0.00 SOLV H ATOM 29003 H2 TIP3 8991 43.677 39.994 68.020 1.00 0.00 SOLV H ATOM 29004 OH2 TIP3 8992 52.090 47.158 57.514 1.00 0.00 SOLV O ATOM 29005 H1 TIP3 8992 51.942 47.251 56.555 1.00 0.00 SOLV H ATOM 29006 H2 TIP3 8992 53.041 47.384 57.577 1.00 0.00 SOLV H ATOM 29007 OH2 TIP3 8993 47.704 41.175 58.237 1.00 0.00 SOLV O ATOM 29008 H1 TIP3 8993 47.054 41.076 58.962 1.00 0.00 SOLV H ATOM 29009 H2 TIP3 8993 47.293 40.587 57.571 1.00 0.00 SOLV H ATOM 29010 OH2 TIP3 8994 43.141 44.154 68.765 1.00 0.00 SOLV O ATOM 29011 H1 TIP3 8994 42.230 44.356 69.047 1.00 0.00 SOLV H ATOM 29012 H2 TIP3 8994 43.370 44.977 68.280 1.00 0.00 SOLV H ATOM 29013 OH2 TIP3 8995 43.489 44.204 63.572 1.00 0.00 SOLV O ATOM 29014 H1 TIP3 8995 42.520 44.063 63.490 1.00 0.00 SOLV H ATOM 29015 H2 TIP3 8995 43.767 43.993 62.649 1.00 0.00 SOLV H ATOM 29016 OH2 TIP3 8996 49.002 44.552 62.437 1.00 0.00 SOLV O ATOM 29017 H1 TIP3 8996 48.745 45.418 62.049 1.00 0.00 SOLV H ATOM 29018 H2 TIP3 8996 49.665 44.249 61.779 1.00 0.00 SOLV H ATOM 29019 OH2 TIP3 8997 49.811 44.123 65.022 1.00 0.00 SOLV O ATOM 29020 H1 TIP3 8997 49.444 44.616 64.252 1.00 0.00 SOLV H ATOM 29021 H2 TIP3 8997 50.285 43.438 64.508 1.00 0.00 SOLV H ATOM 29022 OH2 TIP3 8998 44.426 41.750 56.883 1.00 0.00 SOLV O ATOM 29023 H1 TIP3 8998 43.958 41.705 57.739 1.00 0.00 SOLV H ATOM 29024 H2 TIP3 8998 43.751 42.136 56.299 1.00 0.00 SOLV H ATOM 29025 OH2 TIP3 8999 37.712 41.279 64.330 1.00 0.00 SOLV O ATOM 29026 H1 TIP3 8999 38.418 41.352 65.000 1.00 0.00 SOLV H ATOM 29027 H2 TIP3 8999 38.192 41.071 63.507 1.00 0.00 SOLV H ATOM 29028 OH2 TIP3 9000 38.567 42.119 59.610 1.00 0.00 SOLV O ATOM 29029 H1 TIP3 9000 39.246 42.550 59.038 1.00 0.00 SOLV H ATOM 29030 H2 TIP3 9000 38.012 42.898 59.805 1.00 0.00 SOLV H ATOM 29031 OH2 TIP3 9001 46.500 41.671 64.821 1.00 0.00 SOLV O ATOM 29032 H1 TIP3 9001 45.643 41.330 64.509 1.00 0.00 SOLV H ATOM 29033 H2 TIP3 9001 46.256 41.859 65.735 1.00 0.00 SOLV H ATOM 29034 OH2 TIP3 9002 40.887 43.373 63.325 1.00 0.00 SOLV O ATOM 29035 H1 TIP3 9002 40.091 43.670 62.823 1.00 0.00 SOLV H ATOM 29036 H2 TIP3 9002 41.038 42.473 62.977 1.00 0.00 SOLV H ATOM 29037 OH2 TIP3 9003 44.178 43.458 61.053 1.00 0.00 SOLV O ATOM 29038 H1 TIP3 9003 45.139 43.334 60.983 1.00 0.00 SOLV H ATOM 29039 H2 TIP3 9003 43.948 43.850 60.176 1.00 0.00 SOLV H ATOM 29040 OH2 TIP3 9004 49.915 40.706 67.456 1.00 0.00 SOLV O ATOM 29041 H1 TIP3 9004 49.686 41.080 68.319 1.00 0.00 SOLV H ATOM 29042 H2 TIP3 9004 50.067 39.781 67.717 1.00 0.00 SOLV H ATOM 29043 OH2 TIP3 9005 43.476 44.406 58.629 1.00 0.00 SOLV O ATOM 29044 H1 TIP3 9005 42.756 44.280 57.994 1.00 0.00 SOLV H ATOM 29045 H2 TIP3 9005 44.183 44.793 58.073 1.00 0.00 SOLV H ATOM 29046 OH2 TIP3 9006 47.229 44.511 66.293 1.00 0.00 SOLV O ATOM 29047 H1 TIP3 9006 47.975 44.339 65.696 1.00 0.00 SOLV H ATOM 29048 H2 TIP3 9006 47.602 44.171 67.127 1.00 0.00 SOLV H ATOM 29049 OH2 TIP3 9007 42.092 40.704 62.955 1.00 0.00 SOLV O ATOM 29050 H1 TIP3 9007 41.498 39.974 63.244 1.00 0.00 SOLV H ATOM 29051 H2 TIP3 9007 42.549 40.273 62.222 1.00 0.00 SOLV H ATOM 29052 OH2 TIP3 9008 46.511 48.982 60.585 1.00 0.00 SOLV O ATOM 29053 H1 TIP3 9008 45.770 48.536 60.121 1.00 0.00 SOLV H ATOM 29054 H2 TIP3 9008 46.086 49.198 61.451 1.00 0.00 SOLV H ATOM 29055 OH2 TIP3 9009 50.241 41.684 58.904 1.00 0.00 SOLV O ATOM 29056 H1 TIP3 9009 49.292 41.644 58.629 1.00 0.00 SOLV H ATOM 29057 H2 TIP3 9009 50.316 42.559 59.325 1.00 0.00 SOLV H ATOM 29058 OH2 TIP3 9010 50.951 43.862 60.637 1.00 0.00 SOLV O ATOM 29059 H1 TIP3 9010 51.878 43.699 60.901 1.00 0.00 SOLV H ATOM 29060 H2 TIP3 9010 51.008 44.741 60.211 1.00 0.00 SOLV H ATOM 29061 OH2 TIP3 9011 41.851 48.480 66.344 1.00 0.00 SOLV O ATOM 29062 H1 TIP3 9011 42.288 48.364 65.476 1.00 0.00 SOLV H ATOM 29063 H2 TIP3 9011 42.312 47.805 66.871 1.00 0.00 SOLV H ATOM 29064 OH2 TIP3 9012 48.582 50.522 59.681 1.00 0.00 SOLV O ATOM 29065 H1 TIP3 9012 48.209 51.431 59.767 1.00 0.00 SOLV H ATOM 29066 H2 TIP3 9012 47.825 49.976 59.988 1.00 0.00 SOLV H ATOM 29067 OH2 TIP3 9013 55.715 44.284 60.161 1.00 0.00 SOLV O ATOM 29068 H1 TIP3 9013 55.259 44.069 59.314 1.00 0.00 SOLV H ATOM 29069 H2 TIP3 9013 55.916 45.228 59.974 1.00 0.00 SOLV H ATOM 29070 OH2 TIP3 9014 54.359 52.834 60.607 1.00 0.00 SOLV O ATOM 29071 H1 TIP3 9014 53.780 52.133 60.939 1.00 0.00 SOLV H ATOM 29072 H2 TIP3 9014 54.616 52.508 59.726 1.00 0.00 SOLV H ATOM 29073 OH2 TIP3 9015 51.387 47.634 67.361 1.00 0.00 SOLV O ATOM 29074 H1 TIP3 9015 50.432 47.584 67.161 1.00 0.00 SOLV H ATOM 29075 H2 TIP3 9015 51.750 46.930 66.788 1.00 0.00 SOLV H ATOM 29076 OH2 TIP3 9016 44.213 52.026 63.832 1.00 0.00 SOLV O ATOM 29077 H1 TIP3 9016 44.440 52.906 63.465 1.00 0.00 SOLV H ATOM 29078 H2 TIP3 9016 43.282 51.963 63.584 1.00 0.00 SOLV H ATOM 29079 OH2 TIP3 9017 39.894 46.727 58.273 1.00 0.00 SOLV O ATOM 29080 H1 TIP3 9017 40.370 47.395 58.812 1.00 0.00 SOLV H ATOM 29081 H2 TIP3 9017 39.006 46.757 58.691 1.00 0.00 SOLV H ATOM 29082 OH2 TIP3 9018 45.184 49.585 62.863 1.00 0.00 SOLV O ATOM 29083 H1 TIP3 9018 44.986 50.472 63.216 1.00 0.00 SOLV H ATOM 29084 H2 TIP3 9018 44.568 49.023 63.368 1.00 0.00 SOLV H ATOM 29085 OH2 TIP3 9019 44.145 54.722 62.736 1.00 0.00 SOLV O ATOM 29086 H1 TIP3 9019 43.208 54.900 62.955 1.00 0.00 SOLV H ATOM 29087 H2 TIP3 9019 44.557 55.565 63.038 1.00 0.00 SOLV H ATOM 29088 OH2 TIP3 9020 51.978 50.926 58.457 1.00 0.00 SOLV O ATOM 29089 H1 TIP3 9020 52.233 50.422 59.265 1.00 0.00 SOLV H ATOM 29090 H2 TIP3 9020 51.039 50.695 58.384 1.00 0.00 SOLV H ATOM 29091 OH2 TIP3 9021 56.260 55.097 58.552 1.00 0.00 SOLV O ATOM 29092 H1 TIP3 9021 56.813 55.864 58.334 1.00 0.00 SOLV H ATOM 29093 H2 TIP3 9021 55.449 55.566 58.844 1.00 0.00 SOLV H ATOM 29094 OH2 TIP3 9022 52.825 49.513 60.659 1.00 0.00 SOLV O ATOM 29095 H1 TIP3 9022 52.431 48.747 61.123 1.00 0.00 SOLV H ATOM 29096 H2 TIP3 9022 53.778 49.300 60.756 1.00 0.00 SOLV H ATOM 29097 OH2 TIP3 9023 45.797 51.860 56.867 1.00 0.00 SOLV O ATOM 29098 H1 TIP3 9023 45.820 50.979 56.448 1.00 0.00 SOLV H ATOM 29099 H2 TIP3 9023 45.286 51.673 57.679 1.00 0.00 SOLV H ATOM 29100 OH2 TIP3 9024 44.491 51.550 59.297 1.00 0.00 SOLV O ATOM 29101 H1 TIP3 9024 45.085 51.049 59.872 1.00 0.00 SOLV H ATOM 29102 H2 TIP3 9024 44.621 52.467 59.631 1.00 0.00 SOLV H ATOM 29103 OH2 TIP3 9025 41.004 48.695 59.941 1.00 0.00 SOLV O ATOM 29104 H1 TIP3 9025 40.267 49.165 60.388 1.00 0.00 SOLV H ATOM 29105 H2 TIP3 9025 41.406 49.442 59.455 1.00 0.00 SOLV H ATOM 29106 OH2 TIP3 9026 49.694 40.497 61.354 1.00 0.00 SOLV O ATOM 29107 H1 TIP3 9026 49.835 40.830 60.446 1.00 0.00 SOLV H ATOM 29108 H2 TIP3 9026 50.118 41.185 61.879 1.00 0.00 SOLV H ATOM 29109 OH2 TIP3 9027 47.509 52.985 59.923 1.00 0.00 SOLV O ATOM 29110 H1 TIP3 9027 46.598 53.291 60.103 1.00 0.00 SOLV H ATOM 29111 H2 TIP3 9027 47.901 53.816 59.606 1.00 0.00 SOLV H ATOM 29112 OH2 TIP3 9028 46.900 42.727 62.223 1.00 0.00 SOLV O ATOM 29113 H1 TIP3 9028 47.605 43.405 62.268 1.00 0.00 SOLV H ATOM 29114 H2 TIP3 9028 46.805 42.482 63.163 1.00 0.00 SOLV H ATOM 29115 OH2 TIP3 9029 45.018 54.052 60.214 1.00 0.00 SOLV O ATOM 29116 H1 TIP3 9029 45.014 54.900 59.711 1.00 0.00 SOLV H ATOM 29117 H2 TIP3 9029 44.695 54.352 61.093 1.00 0.00 SOLV H ATOM 29118 OH2 TIP3 9030 43.488 41.183 59.482 1.00 0.00 SOLV O ATOM 29119 H1 TIP3 9030 43.430 41.940 60.091 1.00 0.00 SOLV H ATOM 29120 H2 TIP3 9030 44.387 40.860 59.700 1.00 0.00 SOLV H ATOM 29121 OH2 TIP3 9031 52.272 45.325 65.920 1.00 0.00 SOLV O ATOM 29122 H1 TIP3 9031 51.453 44.852 65.703 1.00 0.00 SOLV H ATOM 29123 H2 TIP3 9031 52.795 44.661 66.421 1.00 0.00 SOLV H ATOM 29124 OH2 TIP3 9032 41.860 50.947 58.483 1.00 0.00 SOLV O ATOM 29125 H1 TIP3 9032 42.658 51.363 58.871 1.00 0.00 SOLV H ATOM 29126 H2 TIP3 9032 42.304 50.397 57.800 1.00 0.00 SOLV H ATOM 29127 OH2 TIP3 9033 40.024 43.932 58.104 1.00 0.00 SOLV O ATOM 29128 H1 TIP3 9033 39.893 44.896 58.136 1.00 0.00 SOLV H ATOM 29129 H2 TIP3 9033 40.424 43.820 57.210 1.00 0.00 SOLV H ATOM 29130 OH2 TIP3 9034 53.556 54.487 67.629 1.00 0.00 SOLV O ATOM 29131 H1 TIP3 9034 53.342 55.263 67.068 1.00 0.00 SOLV H ATOM 29132 H2 TIP3 9034 54.519 54.612 67.755 1.00 0.00 SOLV H ATOM 29133 OH2 TIP3 9035 40.844 38.899 66.404 1.00 0.00 SOLV O ATOM 29134 H1 TIP3 9035 40.854 38.774 65.430 1.00 0.00 SOLV H ATOM 29135 H2 TIP3 9035 40.528 38.025 66.703 1.00 0.00 SOLV H ATOM 29136 OH2 TIP3 9036 39.727 52.671 62.269 1.00 0.00 SOLV O ATOM 29137 H1 TIP3 9036 39.080 52.913 62.945 1.00 0.00 SOLV H ATOM 29138 H2 TIP3 9036 39.579 53.362 61.578 1.00 0.00 SOLV H ATOM 29139 OH2 TIP3 9037 47.867 53.654 56.781 1.00 0.00 SOLV O ATOM 29140 H1 TIP3 9037 47.145 52.989 56.871 1.00 0.00 SOLV H ATOM 29141 H2 TIP3 9037 48.617 53.081 56.542 1.00 0.00 SOLV H ATOM 29142 OH2 TIP3 9038 52.277 53.334 57.184 1.00 0.00 SOLV O ATOM 29143 H1 TIP3 9038 52.320 52.496 57.695 1.00 0.00 SOLV H ATOM 29144 H2 TIP3 9038 53.059 53.269 56.606 1.00 0.00 SOLV H ATOM 29145 OH2 TIP3 9039 43.266 49.191 57.023 1.00 0.00 SOLV O ATOM 29146 H1 TIP3 9039 43.579 48.659 57.779 1.00 0.00 SOLV H ATOM 29147 H2 TIP3 9039 44.101 49.263 56.510 1.00 0.00 SOLV H ATOM 29148 OH2 TIP3 9040 49.123 50.583 56.982 1.00 0.00 SOLV O ATOM 29149 H1 TIP3 9040 48.813 50.504 57.908 1.00 0.00 SOLV H ATOM 29150 H2 TIP3 9040 48.988 49.661 56.666 1.00 0.00 SOLV H ATOM 29151 OH2 TIP3 9041 44.478 47.604 59.294 1.00 0.00 SOLV O ATOM 29152 H1 TIP3 9041 43.939 47.086 59.910 1.00 0.00 SOLV H ATOM 29153 H2 TIP3 9041 44.892 46.902 58.745 1.00 0.00 SOLV H ATOM 29154 OH2 TIP3 9042 45.661 45.769 57.590 1.00 0.00 SOLV O ATOM 29155 H1 TIP3 9042 45.691 46.087 56.662 1.00 0.00 SOLV H ATOM 29156 H2 TIP3 9042 46.610 45.577 57.742 1.00 0.00 SOLV H ATOM 29157 OH2 TIP3 9043 54.714 47.896 57.215 1.00 0.00 SOLV O ATOM 29158 H1 TIP3 9043 54.724 47.687 56.260 1.00 0.00 SOLV H ATOM 29159 H2 TIP3 9043 54.573 48.870 57.158 1.00 0.00 SOLV H ATOM 29160 OH2 TIP3 9044 45.507 56.333 58.753 1.00 0.00 SOLV O ATOM 29161 H1 TIP3 9044 46.462 56.161 58.831 1.00 0.00 SOLV H ATOM 29162 H2 TIP3 9044 45.532 57.138 58.204 1.00 0.00 SOLV H ATOM 29163 OH2 TIP3 9045 39.151 51.133 58.093 1.00 0.00 SOLV O ATOM 29164 H1 TIP3 9045 40.124 51.157 58.239 1.00 0.00 SOLV H ATOM 29165 H2 TIP3 9045 39.074 50.380 57.469 1.00 0.00 SOLV H ATOM 29166 OH2 TIP3 9046 38.044 56.319 63.353 1.00 0.00 SOLV O ATOM 29167 H1 TIP3 9046 37.455 55.960 62.653 1.00 0.00 SOLV H ATOM 29168 H2 TIP3 9046 38.210 55.505 63.876 1.00 0.00 SOLV H ATOM 29169 OH2 TIP3 9047 38.604 54.155 64.962 1.00 0.00 SOLV O ATOM 29170 H1 TIP3 9047 38.216 53.415 65.471 1.00 0.00 SOLV H ATOM 29171 H2 TIP3 9047 39.070 54.620 65.677 1.00 0.00 SOLV H ATOM 29172 OH2 TIP3 9048 56.276 54.735 68.221 1.00 0.00 SOLV O ATOM 29173 H1 TIP3 9048 56.275 54.957 69.181 1.00 0.00 SOLV H ATOM 29174 H2 TIP3 9048 56.963 55.338 67.898 1.00 0.00 SOLV H ATOM 29175 OH2 TIP3 9049 55.487 48.801 61.054 1.00 0.00 SOLV O ATOM 29176 H1 TIP3 9049 56.267 49.391 61.071 1.00 0.00 SOLV H ATOM 29177 H2 TIP3 9049 55.672 48.214 61.820 1.00 0.00 SOLV H ATOM 29178 OH2 TIP3 9050 55.961 46.892 62.980 1.00 0.00 SOLV O ATOM 29179 H1 TIP3 9050 55.096 46.527 63.265 1.00 0.00 SOLV H ATOM 29180 H2 TIP3 9050 56.453 46.963 63.824 1.00 0.00 SOLV H ATOM 29181 OH2 TIP3 9051 56.108 50.010 68.329 1.00 0.00 SOLV O ATOM 29182 H1 TIP3 9051 56.578 49.280 67.863 1.00 0.00 SOLV H ATOM 29183 H2 TIP3 9051 56.257 50.756 67.715 1.00 0.00 SOLV H ATOM 29184 OH2 TIP3 9052 56.165 46.832 59.256 1.00 0.00 SOLV O ATOM 29185 H1 TIP3 9052 55.645 47.098 58.463 1.00 0.00 SOLV H ATOM 29186 H2 TIP3 9052 55.858 47.517 59.886 1.00 0.00 SOLV H ATOM 29187 OH2 TIP3 9053 54.515 43.818 57.725 1.00 0.00 SOLV O ATOM 29188 H1 TIP3 9053 54.323 44.214 56.863 1.00 0.00 SOLV H ATOM 29189 H2 TIP3 9053 54.334 42.873 57.529 1.00 0.00 SOLV H ATOM 29190 OH2 TIP3 9054 53.544 45.649 63.471 1.00 0.00 SOLV O ATOM 29191 H1 TIP3 9054 53.540 44.731 63.147 1.00 0.00 SOLV H ATOM 29192 H2 TIP3 9054 53.162 45.567 64.371 1.00 0.00 SOLV H ATOM 29193 OH2 TIP3 9055 38.491 47.367 67.458 1.00 0.00 SOLV O ATOM 29194 H1 TIP3 9055 38.686 47.260 66.501 1.00 0.00 SOLV H ATOM 29195 H2 TIP3 9055 39.359 47.622 67.799 1.00 0.00 SOLV H ATOM 29196 OH2 TIP3 9056 53.810 41.220 56.940 1.00 0.00 SOLV O ATOM 29197 H1 TIP3 9056 54.017 40.282 57.125 1.00 0.00 SOLV H ATOM 29198 H2 TIP3 9056 52.904 41.141 56.597 1.00 0.00 SOLV H ATOM 29199 OH2 TIP3 9057 53.429 43.129 61.896 1.00 0.00 SOLV O ATOM 29200 H1 TIP3 9057 53.669 42.171 61.918 1.00 0.00 SOLV H ATOM 29201 H2 TIP3 9057 54.195 43.469 61.397 1.00 0.00 SOLV H ATOM 29202 OH2 TIP3 9058 53.817 43.375 67.167 1.00 0.00 SOLV O ATOM 29203 H1 TIP3 9058 54.739 43.721 67.195 1.00 0.00 SOLV H ATOM 29204 H2 TIP3 9058 53.698 43.143 68.106 1.00 0.00 SOLV H ATOM 29205 OH2 TIP3 9059 54.037 40.453 61.946 1.00 0.00 SOLV O ATOM 29206 H1 TIP3 9059 54.269 39.975 62.765 1.00 0.00 SOLV H ATOM 29207 H2 TIP3 9059 53.378 39.824 61.567 1.00 0.00 SOLV H ATOM 29208 OH2 TIP3 9060 39.413 41.190 66.553 1.00 0.00 SOLV O ATOM 29209 H1 TIP3 9060 39.864 40.316 66.540 1.00 0.00 SOLV H ATOM 29210 H2 TIP3 9060 40.190 41.766 66.701 1.00 0.00 SOLV H ATOM 29211 OH2 TIP3 9061 37.658 44.321 67.506 1.00 0.00 SOLV O ATOM 29212 H1 TIP3 9061 38.337 44.130 66.826 1.00 0.00 SOLV H ATOM 29213 H2 TIP3 9061 37.832 45.264 67.661 1.00 0.00 SOLV H ATOM 29214 OH2 TIP3 9062 38.209 40.344 61.663 1.00 0.00 SOLV O ATOM 29215 H1 TIP3 9062 37.246 40.281 61.565 1.00 0.00 SOLV H ATOM 29216 H2 TIP3 9062 38.434 41.002 60.970 1.00 0.00 SOLV H ATOM 29217 OH2 TIP3 9063 52.895 55.382 63.579 1.00 0.00 SOLV O ATOM 29218 H1 TIP3 9063 53.674 55.397 62.988 1.00 0.00 SOLV H ATOM 29219 H2 TIP3 9063 53.247 55.788 64.394 1.00 0.00 SOLV H ATOM 29220 OH2 TIP3 9064 47.978 55.885 68.131 1.00 0.00 SOLV O ATOM 29221 H1 TIP3 9064 47.358 56.408 67.589 1.00 0.00 SOLV H ATOM 29222 H2 TIP3 9064 48.248 56.518 68.809 1.00 0.00 SOLV H ATOM 29223 OH2 TIP3 9065 40.099 55.271 67.212 1.00 0.00 SOLV O ATOM 29224 H1 TIP3 9065 40.397 55.286 68.155 1.00 0.00 SOLV H ATOM 29225 H2 TIP3 9065 40.823 54.725 66.829 1.00 0.00 SOLV H ATOM 29226 OH2 TIP3 9066 42.098 53.795 66.129 1.00 0.00 SOLV O ATOM 29227 H1 TIP3 9066 41.983 52.863 66.429 1.00 0.00 SOLV H ATOM 29228 H2 TIP3 9066 43.036 53.955 66.369 1.00 0.00 SOLV H ATOM 29229 OH2 TIP3 9067 44.791 54.024 66.967 1.00 0.00 SOLV O ATOM 29230 H1 TIP3 9067 44.958 53.103 66.694 1.00 0.00 SOLV H ATOM 29231 H2 TIP3 9067 45.044 53.984 67.897 1.00 0.00 SOLV H ATOM 29232 OH2 TIP3 9068 53.209 38.107 66.123 1.00 0.00 SOLV O ATOM 29233 H1 TIP3 9068 53.871 38.521 65.531 1.00 0.00 SOLV H ATOM 29234 H2 TIP3 9068 52.376 38.319 65.672 1.00 0.00 SOLV H ATOM 29235 OH2 TIP3 9069 54.907 39.202 64.289 1.00 0.00 SOLV O ATOM 29236 H1 TIP3 9069 55.617 38.600 63.973 1.00 0.00 SOLV H ATOM 29237 H2 TIP3 9069 55.427 40.034 64.375 1.00 0.00 SOLV H ATOM 29238 OH2 TIP3 9070 40.555 38.555 63.656 1.00 0.00 SOLV O ATOM 29239 H1 TIP3 9070 39.628 38.412 63.367 1.00 0.00 SOLV H ATOM 29240 H2 TIP3 9070 40.921 37.653 63.512 1.00 0.00 SOLV H ATOM 29241 OH2 TIP3 9071 39.347 38.291 59.610 1.00 0.00 SOLV O ATOM 29242 H1 TIP3 9071 40.017 38.812 59.107 1.00 0.00 SOLV H ATOM 29243 H2 TIP3 9071 39.084 38.932 60.290 1.00 0.00 SOLV H ATOM 29244 OH2 TIP3 9072 45.068 38.504 63.878 1.00 0.00 SOLV O ATOM 29245 H1 TIP3 9072 45.964 38.255 63.632 1.00 0.00 SOLV H ATOM 29246 H2 TIP3 9072 45.115 38.416 64.850 1.00 0.00 SOLV H ATOM 29247 OH2 TIP3 9073 50.649 38.702 64.748 1.00 0.00 SOLV O ATOM 29248 H1 TIP3 9073 51.053 38.207 64.018 1.00 0.00 SOLV H ATOM 29249 H2 TIP3 9073 50.171 37.960 65.204 1.00 0.00 SOLV H ATOM 29250 OH2 TIP3 9074 52.035 38.720 61.254 1.00 0.00 SOLV O ATOM 29251 H1 TIP3 9074 51.243 39.126 60.875 1.00 0.00 SOLV H ATOM 29252 H2 TIP3 9074 51.748 37.789 61.333 1.00 0.00 SOLV H ATOM 29253 OH2 TIP3 9075 39.390 54.642 60.424 1.00 0.00 SOLV O ATOM 29254 H1 TIP3 9075 38.594 54.556 59.867 1.00 0.00 SOLV H ATOM 29255 H2 TIP3 9075 39.560 55.600 60.305 1.00 0.00 SOLV H ATOM 29256 OH2 TIP3 9076 41.318 39.723 58.359 1.00 0.00 SOLV O ATOM 29257 H1 TIP3 9076 41.679 39.561 57.470 1.00 0.00 SOLV H ATOM 29258 H2 TIP3 9076 42.031 40.252 58.766 1.00 0.00 SOLV H ATOM 29259 OH2 TIP3 9077 46.082 40.788 60.421 1.00 0.00 SOLV O ATOM 29260 H1 TIP3 9077 46.127 39.930 60.862 1.00 0.00 SOLV H ATOM 29261 H2 TIP3 9077 46.469 41.397 61.090 1.00 0.00 SOLV H ATOM 29262 OH2 TIP3 9078 48.147 55.478 58.792 1.00 0.00 SOLV O ATOM 29263 H1 TIP3 9078 49.110 55.619 58.668 1.00 0.00 SOLV H ATOM 29264 H2 TIP3 9078 47.962 54.943 57.984 1.00 0.00 SOLV H ATOM 29265 OH2 TIP3 9079 54.968 55.251 61.719 1.00 0.00 SOLV O ATOM 29266 H1 TIP3 9079 54.775 54.341 61.391 1.00 0.00 SOLV H ATOM 29267 H2 TIP3 9079 54.752 55.776 60.922 1.00 0.00 SOLV H ATOM 29268 OH2 TIP3 9080 41.120 55.261 57.247 1.00 0.00 SOLV O ATOM 29269 H1 TIP3 9080 40.962 55.161 58.196 1.00 0.00 SOLV H ATOM 29270 H2 TIP3 9080 41.923 54.697 57.122 1.00 0.00 SOLV H ATOM 29271 OH2 TIP3 9081 68.412 47.520 63.329 1.00 0.00 SOLV O ATOM 29272 H1 TIP3 9081 68.548 48.458 63.558 1.00 0.00 SOLV H ATOM 29273 H2 TIP3 9081 67.665 47.631 62.733 1.00 0.00 SOLV H ATOM 29274 OH2 TIP3 9082 67.015 47.358 67.130 1.00 0.00 SOLV O ATOM 29275 H1 TIP3 9082 67.815 46.906 67.459 1.00 0.00 SOLV H ATOM 29276 H2 TIP3 9082 66.868 46.894 66.299 1.00 0.00 SOLV H ATOM 29277 OH2 TIP3 9083 60.712 51.227 66.975 1.00 0.00 SOLV O ATOM 29278 H1 TIP3 9083 60.499 50.290 66.781 1.00 0.00 SOLV H ATOM 29279 H2 TIP3 9083 61.690 51.172 66.974 1.00 0.00 SOLV H ATOM 29280 OH2 TIP3 9084 57.490 44.566 62.315 1.00 0.00 SOLV O ATOM 29281 H1 TIP3 9084 57.028 45.384 62.566 1.00 0.00 SOLV H ATOM 29282 H2 TIP3 9084 56.926 44.264 61.581 1.00 0.00 SOLV H ATOM 29283 OH2 TIP3 9085 57.908 46.820 64.930 1.00 0.00 SOLV O ATOM 29284 H1 TIP3 9085 58.166 45.900 65.166 1.00 0.00 SOLV H ATOM 29285 H2 TIP3 9085 58.706 47.144 64.495 1.00 0.00 SOLV H ATOM 29286 OH2 TIP3 9086 67.516 54.877 65.720 1.00 0.00 SOLV O ATOM 29287 H1 TIP3 9086 68.447 54.797 65.433 1.00 0.00 SOLV H ATOM 29288 H2 TIP3 9086 67.584 55.442 66.506 1.00 0.00 SOLV H ATOM 29289 OH2 TIP3 9087 65.376 49.559 67.785 1.00 0.00 SOLV O ATOM 29290 H1 TIP3 9087 65.745 48.698 67.496 1.00 0.00 SOLV H ATOM 29291 H2 TIP3 9087 66.203 49.910 68.186 1.00 0.00 SOLV H ATOM 29292 OH2 TIP3 9088 68.995 43.123 68.362 1.00 0.00 SOLV O ATOM 29293 H1 TIP3 9088 69.145 42.165 68.358 1.00 0.00 SOLV H ATOM 29294 H2 TIP3 9088 68.559 43.232 67.504 1.00 0.00 SOLV H ATOM 29295 OH2 TIP3 9089 62.415 41.868 65.025 1.00 0.00 SOLV O ATOM 29296 H1 TIP3 9089 62.464 42.733 64.566 1.00 0.00 SOLV H ATOM 29297 H2 TIP3 9089 61.924 41.345 64.352 1.00 0.00 SOLV H ATOM 29298 OH2 TIP3 9090 58.712 44.335 65.729 1.00 0.00 SOLV O ATOM 29299 H1 TIP3 9090 59.354 43.855 66.292 1.00 0.00 SOLV H ATOM 29300 H2 TIP3 9090 58.963 43.954 64.859 1.00 0.00 SOLV H ATOM 29301 OH2 TIP3 9091 63.773 45.791 65.201 1.00 0.00 SOLV O ATOM 29302 H1 TIP3 9091 64.545 45.285 65.546 1.00 0.00 SOLV H ATOM 29303 H2 TIP3 9091 63.339 45.114 64.633 1.00 0.00 SOLV H ATOM 29304 OH2 TIP3 9092 67.927 50.372 62.714 1.00 0.00 SOLV O ATOM 29305 H1 TIP3 9092 68.079 50.567 61.776 1.00 0.00 SOLV H ATOM 29306 H2 TIP3 9092 67.704 51.262 63.054 1.00 0.00 SOLV H ATOM 29307 OH2 TIP3 9093 60.563 42.634 66.865 1.00 0.00 SOLV O ATOM 29308 H1 TIP3 9093 61.114 42.966 67.600 1.00 0.00 SOLV H ATOM 29309 H2 TIP3 9093 61.260 42.298 66.261 1.00 0.00 SOLV H ATOM 29310 OH2 TIP3 9094 57.876 50.356 60.867 1.00 0.00 SOLV O ATOM 29311 H1 TIP3 9094 57.762 50.850 60.034 1.00 0.00 SOLV H ATOM 29312 H2 TIP3 9094 58.203 51.064 61.463 1.00 0.00 SOLV H ATOM 29313 OH2 TIP3 9095 64.707 37.910 66.670 1.00 0.00 SOLV O ATOM 29314 H1 TIP3 9095 64.387 36.989 66.579 1.00 0.00 SOLV H ATOM 29315 H2 TIP3 9095 63.882 38.350 67.006 1.00 0.00 SOLV H ATOM 29316 OH2 TIP3 9096 67.317 47.136 60.545 1.00 0.00 SOLV O ATOM 29317 H1 TIP3 9096 66.486 47.659 60.504 1.00 0.00 SOLV H ATOM 29318 H2 TIP3 9096 67.960 47.863 60.535 1.00 0.00 SOLV H ATOM 29319 OH2 TIP3 9097 67.186 45.502 57.851 1.00 0.00 SOLV O ATOM 29320 H1 TIP3 9097 67.285 45.863 58.749 1.00 0.00 SOLV H ATOM 29321 H2 TIP3 9097 67.454 44.576 57.946 1.00 0.00 SOLV H ATOM 29322 OH2 TIP3 9098 62.245 47.810 64.087 1.00 0.00 SOLV O ATOM 29323 H1 TIP3 9098 61.972 47.468 63.209 1.00 0.00 SOLV H ATOM 29324 H2 TIP3 9098 62.820 47.085 64.415 1.00 0.00 SOLV H ATOM 29325 OH2 TIP3 9099 63.426 51.267 66.406 1.00 0.00 SOLV O ATOM 29326 H1 TIP3 9099 63.486 51.409 65.436 1.00 0.00 SOLV H ATOM 29327 H2 TIP3 9099 64.120 50.609 66.583 1.00 0.00 SOLV H ATOM 29328 OH2 TIP3 9100 62.548 46.572 67.480 1.00 0.00 SOLV O ATOM 29329 H1 TIP3 9100 62.987 46.279 66.648 1.00 0.00 SOLV H ATOM 29330 H2 TIP3 9100 63.203 47.181 67.845 1.00 0.00 SOLV H ATOM 29331 OH2 TIP3 9101 68.598 52.726 68.959 1.00 0.00 SOLV O ATOM 29332 H1 TIP3 9101 68.390 52.600 68.002 1.00 0.00 SOLV H ATOM 29333 H2 TIP3 9101 68.852 51.802 69.219 1.00 0.00 SOLV H ATOM 29334 OH2 TIP3 9102 67.417 53.144 63.309 1.00 0.00 SOLV O ATOM 29335 H1 TIP3 9102 67.266 53.647 64.129 1.00 0.00 SOLV H ATOM 29336 H2 TIP3 9102 67.211 53.820 62.640 1.00 0.00 SOLV H ATOM 29337 OH2 TIP3 9103 61.377 46.982 61.518 1.00 0.00 SOLV O ATOM 29338 H1 TIP3 9103 60.827 47.608 60.998 1.00 0.00 SOLV H ATOM 29339 H2 TIP3 9103 60.909 46.149 61.384 1.00 0.00 SOLV H ATOM 29340 OH2 TIP3 9104 57.210 52.358 67.076 1.00 0.00 SOLV O ATOM 29341 H1 TIP3 9104 58.146 52.289 67.305 1.00 0.00 SOLV H ATOM 29342 H2 TIP3 9104 56.909 53.142 67.584 1.00 0.00 SOLV H ATOM 29343 OH2 TIP3 9105 66.720 55.830 61.724 1.00 0.00 SOLV O ATOM 29344 H1 TIP3 9105 66.813 55.958 60.770 1.00 0.00 SOLV H ATOM 29345 H2 TIP3 9105 66.697 56.737 62.070 1.00 0.00 SOLV H ATOM 29346 OH2 TIP3 9106 60.352 54.781 63.631 1.00 0.00 SOLV O ATOM 29347 H1 TIP3 9106 60.510 54.459 64.545 1.00 0.00 SOLV H ATOM 29348 H2 TIP3 9106 59.823 54.055 63.257 1.00 0.00 SOLV H ATOM 29349 OH2 TIP3 9107 62.461 39.187 67.438 1.00 0.00 SOLV O ATOM 29350 H1 TIP3 9107 61.538 39.211 67.117 1.00 0.00 SOLV H ATOM 29351 H2 TIP3 9107 62.548 40.032 67.923 1.00 0.00 SOLV H ATOM 29352 OH2 TIP3 9108 66.669 41.082 58.239 1.00 0.00 SOLV O ATOM 29353 H1 TIP3 9108 66.088 40.990 59.018 1.00 0.00 SOLV H ATOM 29354 H2 TIP3 9108 66.178 40.516 57.612 1.00 0.00 SOLV H ATOM 29355 OH2 TIP3 9109 62.029 44.121 68.671 1.00 0.00 SOLV O ATOM 29356 H1 TIP3 9109 61.145 44.199 69.116 1.00 0.00 SOLV H ATOM 29357 H2 TIP3 9109 62.108 45.025 68.298 1.00 0.00 SOLV H ATOM 29358 OH2 TIP3 9110 62.292 44.183 63.602 1.00 0.00 SOLV O ATOM 29359 H1 TIP3 9110 61.318 44.055 63.577 1.00 0.00 SOLV H ATOM 29360 H2 TIP3 9110 62.506 43.921 62.679 1.00 0.00 SOLV H ATOM 29361 OH2 TIP3 9111 67.515 44.646 62.131 1.00 0.00 SOLV O ATOM 29362 H1 TIP3 9111 67.272 45.587 62.155 1.00 0.00 SOLV H ATOM 29363 H2 TIP3 9111 67.461 44.469 61.183 1.00 0.00 SOLV H ATOM 29364 OH2 TIP3 9112 68.184 43.758 65.220 1.00 0.00 SOLV O ATOM 29365 H1 TIP3 9112 68.288 44.402 64.507 1.00 0.00 SOLV H ATOM 29366 H2 TIP3 9112 68.618 42.979 64.816 1.00 0.00 SOLV H ATOM 29367 OH2 TIP3 9113 63.426 41.726 57.059 1.00 0.00 SOLV O ATOM 29368 H1 TIP3 9113 63.002 41.533 57.920 1.00 0.00 SOLV H ATOM 29369 H2 TIP3 9113 62.803 42.400 56.713 1.00 0.00 SOLV H ATOM 29370 OH2 TIP3 9114 56.578 41.297 64.209 1.00 0.00 SOLV O ATOM 29371 H1 TIP3 9114 57.239 41.391 64.925 1.00 0.00 SOLV H ATOM 29372 H2 TIP3 9114 57.121 41.114 63.427 1.00 0.00 SOLV H ATOM 29373 OH2 TIP3 9115 57.856 42.370 60.016 1.00 0.00 SOLV O ATOM 29374 H1 TIP3 9115 58.431 42.657 59.279 1.00 0.00 SOLV H ATOM 29375 H2 TIP3 9115 57.149 43.033 59.944 1.00 0.00 SOLV H ATOM 29376 OH2 TIP3 9116 65.098 41.814 64.570 1.00 0.00 SOLV O ATOM 29377 H1 TIP3 9116 64.188 41.711 64.919 1.00 0.00 SOLV H ATOM 29378 H2 TIP3 9116 65.580 41.106 65.045 1.00 0.00 SOLV H ATOM 29379 OH2 TIP3 9117 59.713 43.371 63.351 1.00 0.00 SOLV O ATOM 29380 H1 TIP3 9117 58.933 43.689 62.836 1.00 0.00 SOLV H ATOM 29381 H2 TIP3 9117 59.871 42.487 62.972 1.00 0.00 SOLV H ATOM 29382 OH2 TIP3 9118 62.765 43.317 61.078 1.00 0.00 SOLV O ATOM 29383 H1 TIP3 9118 63.734 43.275 61.203 1.00 0.00 SOLV H ATOM 29384 H2 TIP3 9118 62.665 43.805 60.226 1.00 0.00 SOLV H ATOM 29385 OH2 TIP3 9119 62.384 44.498 58.671 1.00 0.00 SOLV O ATOM 29386 H1 TIP3 9119 61.756 44.233 57.976 1.00 0.00 SOLV H ATOM 29387 H2 TIP3 9119 63.106 44.875 58.128 1.00 0.00 SOLV H ATOM 29388 OH2 TIP3 9120 65.808 44.427 66.328 1.00 0.00 SOLV O ATOM 29389 H1 TIP3 9120 66.607 44.178 65.817 1.00 0.00 SOLV H ATOM 29390 H2 TIP3 9120 65.750 43.688 66.939 1.00 0.00 SOLV H ATOM 29391 OH2 TIP3 9121 60.967 40.695 62.997 1.00 0.00 SOLV O ATOM 29392 H1 TIP3 9121 60.345 39.980 63.265 1.00 0.00 SOLV H ATOM 29393 H2 TIP3 9121 61.408 40.274 62.250 1.00 0.00 SOLV H ATOM 29394 OH2 TIP3 9122 65.244 48.937 60.584 1.00 0.00 SOLV O ATOM 29395 H1 TIP3 9122 64.463 48.535 60.138 1.00 0.00 SOLV H ATOM 29396 H2 TIP3 9122 64.852 49.174 61.462 1.00 0.00 SOLV H ATOM 29397 OH2 TIP3 9123 60.761 48.505 66.329 1.00 0.00 SOLV O ATOM 29398 H1 TIP3 9123 61.206 48.364 65.471 1.00 0.00 SOLV H ATOM 29399 H2 TIP3 9123 61.226 47.856 66.887 1.00 0.00 SOLV H ATOM 29400 OH2 TIP3 9124 67.377 50.438 59.723 1.00 0.00 SOLV O ATOM 29401 H1 TIP3 9124 67.073 51.373 59.773 1.00 0.00 SOLV H ATOM 29402 H2 TIP3 9124 66.580 49.966 60.042 1.00 0.00 SOLV H ATOM 29403 OH2 TIP3 9125 63.048 52.035 63.762 1.00 0.00 SOLV O ATOM 29404 H1 TIP3 9125 63.260 52.923 63.405 1.00 0.00 SOLV H ATOM 29405 H2 TIP3 9125 62.103 51.984 63.573 1.00 0.00 SOLV H ATOM 29406 OH2 TIP3 9126 58.745 46.645 58.331 1.00 0.00 SOLV O ATOM 29407 H1 TIP3 9126 59.205 47.340 58.847 1.00 0.00 SOLV H ATOM 29408 H2 TIP3 9126 57.839 46.712 58.709 1.00 0.00 SOLV H ATOM 29409 OH2 TIP3 9127 64.010 49.581 62.887 1.00 0.00 SOLV O ATOM 29410 H1 TIP3 9127 63.797 50.475 63.217 1.00 0.00 SOLV H ATOM 29411 H2 TIP3 9127 63.399 49.026 63.407 1.00 0.00 SOLV H ATOM 29412 OH2 TIP3 9128 62.966 54.707 62.691 1.00 0.00 SOLV O ATOM 29413 H1 TIP3 9128 62.041 54.905 62.944 1.00 0.00 SOLV H ATOM 29414 H2 TIP3 9128 63.414 55.527 63.004 1.00 0.00 SOLV H ATOM 29415 OH2 TIP3 9129 64.489 52.026 56.857 1.00 0.00 SOLV O ATOM 29416 H1 TIP3 9129 64.730 51.157 56.489 1.00 0.00 SOLV H ATOM 29417 H2 TIP3 9129 64.069 51.760 57.700 1.00 0.00 SOLV H ATOM 29418 OH2 TIP3 9130 63.340 51.541 59.321 1.00 0.00 SOLV O ATOM 29419 H1 TIP3 9130 63.919 51.050 59.920 1.00 0.00 SOLV H ATOM 29420 H2 TIP3 9130 63.466 52.465 59.641 1.00 0.00 SOLV H ATOM 29421 OH2 TIP3 9131 59.822 48.661 59.903 1.00 0.00 SOLV O ATOM 29422 H1 TIP3 9131 59.091 49.133 60.359 1.00 0.00 SOLV H ATOM 29423 H2 TIP3 9131 60.222 49.409 59.419 1.00 0.00 SOLV H ATOM 29424 OH2 TIP3 9132 67.988 41.589 61.351 1.00 0.00 SOLV O ATOM 29425 H1 TIP3 9132 68.271 41.732 60.435 1.00 0.00 SOLV H ATOM 29426 H2 TIP3 9132 68.656 42.087 61.848 1.00 0.00 SOLV H ATOM 29427 OH2 TIP3 9133 66.375 52.971 59.933 1.00 0.00 SOLV O ATOM 29428 H1 TIP3 9133 65.463 53.283 60.094 1.00 0.00 SOLV H ATOM 29429 H2 TIP3 9133 66.817 53.823 59.790 1.00 0.00 SOLV H ATOM 29430 OH2 TIP3 9134 65.300 42.904 62.095 1.00 0.00 SOLV O ATOM 29431 H1 TIP3 9134 66.119 43.398 62.286 1.00 0.00 SOLV H ATOM 29432 H2 TIP3 9134 65.130 42.520 62.989 1.00 0.00 SOLV H ATOM 29433 OH2 TIP3 9135 66.433 39.751 62.668 1.00 0.00 SOLV O ATOM 29434 H1 TIP3 9135 66.580 39.971 63.610 1.00 0.00 SOLV H ATOM 29435 H2 TIP3 9135 66.866 40.523 62.235 1.00 0.00 SOLV H ATOM 29436 OH2 TIP3 9136 63.870 54.058 60.183 1.00 0.00 SOLV O ATOM 29437 H1 TIP3 9136 63.888 54.927 59.723 1.00 0.00 SOLV H ATOM 29438 H2 TIP3 9136 63.567 54.329 61.080 1.00 0.00 SOLV H ATOM 29439 OH2 TIP3 9137 62.397 41.062 59.528 1.00 0.00 SOLV O ATOM 29440 H1 TIP3 9137 62.287 41.815 60.145 1.00 0.00 SOLV H ATOM 29441 H2 TIP3 9137 63.285 40.747 59.800 1.00 0.00 SOLV H ATOM 29442 OH2 TIP3 9138 60.700 50.944 58.485 1.00 0.00 SOLV O ATOM 29443 H1 TIP3 9138 61.489 51.358 58.890 1.00 0.00 SOLV H ATOM 29444 H2 TIP3 9138 61.153 50.405 57.799 1.00 0.00 SOLV H ATOM 29445 OH2 TIP3 9139 58.750 43.910 57.890 1.00 0.00 SOLV O ATOM 29446 H1 TIP3 9139 58.828 44.860 58.104 1.00 0.00 SOLV H ATOM 29447 H2 TIP3 9139 58.126 43.906 57.152 1.00 0.00 SOLV H ATOM 29448 OH2 TIP3 9140 59.805 38.943 66.389 1.00 0.00 SOLV O ATOM 29449 H1 TIP3 9140 59.753 38.807 65.420 1.00 0.00 SOLV H ATOM 29450 H2 TIP3 9140 59.456 38.088 66.715 1.00 0.00 SOLV H ATOM 29451 OH2 TIP3 9141 58.583 52.680 62.267 1.00 0.00 SOLV O ATOM 29452 H1 TIP3 9141 57.939 52.926 62.945 1.00 0.00 SOLV H ATOM 29453 H2 TIP3 9141 58.439 53.371 61.577 1.00 0.00 SOLV H ATOM 29454 OH2 TIP3 9142 66.827 53.478 56.833 1.00 0.00 SOLV O ATOM 29455 H1 TIP3 9142 65.941 53.056 56.893 1.00 0.00 SOLV H ATOM 29456 H2 TIP3 9142 67.368 52.662 56.875 1.00 0.00 SOLV H ATOM 29457 OH2 TIP3 9143 62.122 49.193 57.023 1.00 0.00 SOLV O ATOM 29458 H1 TIP3 9143 62.432 48.686 57.798 1.00 0.00 SOLV H ATOM 29459 H2 TIP3 9143 62.970 49.288 56.535 1.00 0.00 SOLV H ATOM 29460 OH2 TIP3 9144 67.508 50.699 56.885 1.00 0.00 SOLV O ATOM 29461 H1 TIP3 9144 67.698 50.587 57.837 1.00 0.00 SOLV H ATOM 29462 H2 TIP3 9144 67.277 49.785 56.634 1.00 0.00 SOLV H ATOM 29463 OH2 TIP3 9145 63.233 47.581 59.317 1.00 0.00 SOLV O ATOM 29464 H1 TIP3 9145 62.677 47.108 59.962 1.00 0.00 SOLV H ATOM 29465 H2 TIP3 9145 63.603 46.850 58.779 1.00 0.00 SOLV H ATOM 29466 OH2 TIP3 9146 64.484 45.846 57.527 1.00 0.00 SOLV O ATOM 29467 H1 TIP3 9146 64.445 46.122 56.585 1.00 0.00 SOLV H ATOM 29468 H2 TIP3 9146 65.451 45.736 57.617 1.00 0.00 SOLV H ATOM 29469 OH2 TIP3 9147 64.468 56.423 58.829 1.00 0.00 SOLV O ATOM 29470 H1 TIP3 9147 65.392 56.115 58.810 1.00 0.00 SOLV H ATOM 29471 H2 TIP3 9147 64.509 57.147 58.178 1.00 0.00 SOLV H ATOM 29472 OH2 TIP3 9148 57.993 51.137 58.075 1.00 0.00 SOLV O ATOM 29473 H1 TIP3 9148 58.964 51.154 58.228 1.00 0.00 SOLV H ATOM 29474 H2 TIP3 9148 57.911 50.374 57.462 1.00 0.00 SOLV H ATOM 29475 OH2 TIP3 9149 56.935 56.317 63.326 1.00 0.00 SOLV O ATOM 29476 H1 TIP3 9149 56.331 55.961 62.638 1.00 0.00 SOLV H ATOM 29477 H2 TIP3 9149 57.087 55.509 63.861 1.00 0.00 SOLV H ATOM 29478 OH2 TIP3 9150 57.456 54.168 64.962 1.00 0.00 SOLV O ATOM 29479 H1 TIP3 9150 57.052 53.435 65.468 1.00 0.00 SOLV H ATOM 29480 H2 TIP3 9150 57.929 54.627 65.679 1.00 0.00 SOLV H ATOM 29481 OH2 TIP3 9151 57.349 47.771 67.454 1.00 0.00 SOLV O ATOM 29482 H1 TIP3 9151 57.513 47.509 66.522 1.00 0.00 SOLV H ATOM 29483 H2 TIP3 9151 58.220 47.647 67.851 1.00 0.00 SOLV H ATOM 29484 OH2 TIP3 9152 58.261 41.231 66.396 1.00 0.00 SOLV O ATOM 29485 H1 TIP3 9152 58.692 40.355 66.467 1.00 0.00 SOLV H ATOM 29486 H2 TIP3 9152 59.043 41.797 66.573 1.00 0.00 SOLV H ATOM 29487 OH2 TIP3 9153 56.414 44.288 67.477 1.00 0.00 SOLV O ATOM 29488 H1 TIP3 9153 57.057 44.053 66.783 1.00 0.00 SOLV H ATOM 29489 H2 TIP3 9153 56.880 45.013 67.910 1.00 0.00 SOLV H ATOM 29490 OH2 TIP3 9154 57.062 40.225 61.460 1.00 0.00 SOLV O ATOM 29491 H1 TIP3 9154 56.098 40.339 61.444 1.00 0.00 SOLV H ATOM 29492 H2 TIP3 9154 57.368 41.012 60.951 1.00 0.00 SOLV H ATOM 29493 OH2 TIP3 9155 67.230 56.621 68.013 1.00 0.00 SOLV O ATOM 29494 H1 TIP3 9155 66.311 56.652 67.669 1.00 0.00 SOLV H ATOM 29495 H2 TIP3 9155 67.090 56.505 68.964 1.00 0.00 SOLV H ATOM 29496 OH2 TIP3 9156 58.959 55.255 67.203 1.00 0.00 SOLV O ATOM 29497 H1 TIP3 9156 59.244 55.282 68.149 1.00 0.00 SOLV H ATOM 29498 H2 TIP3 9156 59.689 54.709 66.834 1.00 0.00 SOLV H ATOM 29499 OH2 TIP3 9157 60.964 53.792 66.115 1.00 0.00 SOLV O ATOM 29500 H1 TIP3 9157 60.836 52.860 66.415 1.00 0.00 SOLV H ATOM 29501 H2 TIP3 9157 61.900 53.941 66.367 1.00 0.00 SOLV H ATOM 29502 OH2 TIP3 9158 63.638 54.011 66.987 1.00 0.00 SOLV O ATOM 29503 H1 TIP3 9158 63.786 53.099 66.669 1.00 0.00 SOLV H ATOM 29504 H2 TIP3 9158 63.865 53.899 67.918 1.00 0.00 SOLV H ATOM 29505 OH2 TIP3 9159 66.542 39.737 65.585 1.00 0.00 SOLV O ATOM 29506 H1 TIP3 9159 65.935 39.107 66.025 1.00 0.00 SOLV H ATOM 29507 H2 TIP3 9159 67.390 39.452 65.953 1.00 0.00 SOLV H ATOM 29508 OH2 TIP3 9160 59.407 38.549 63.653 1.00 0.00 SOLV O ATOM 29509 H1 TIP3 9160 58.468 38.412 63.399 1.00 0.00 SOLV H ATOM 29510 H2 TIP3 9160 59.759 37.646 63.507 1.00 0.00 SOLV H ATOM 29511 OH2 TIP3 9161 58.236 38.388 59.584 1.00 0.00 SOLV O ATOM 29512 H1 TIP3 9161 58.717 39.013 59.014 1.00 0.00 SOLV H ATOM 29513 H2 TIP3 9161 57.893 38.985 60.283 1.00 0.00 SOLV H ATOM 29514 OH2 TIP3 9162 64.027 38.202 63.667 1.00 0.00 SOLV O ATOM 29515 H1 TIP3 9162 64.850 38.604 63.352 1.00 0.00 SOLV H ATOM 29516 H2 TIP3 9162 64.063 38.369 64.618 1.00 0.00 SOLV H ATOM 29517 OH2 TIP3 9163 58.263 54.645 60.404 1.00 0.00 SOLV O ATOM 29518 H1 TIP3 9163 57.465 54.565 59.848 1.00 0.00 SOLV H ATOM 29519 H2 TIP3 9163 58.426 55.605 60.303 1.00 0.00 SOLV H ATOM 29520 OH2 TIP3 9164 60.268 40.139 57.929 1.00 0.00 SOLV O ATOM 29521 H1 TIP3 9164 60.784 39.567 57.327 1.00 0.00 SOLV H ATOM 29522 H2 TIP3 9164 60.956 40.444 58.555 1.00 0.00 SOLV H ATOM 29523 OH2 TIP3 9165 64.996 40.733 60.415 1.00 0.00 SOLV O ATOM 29524 H1 TIP3 9165 65.282 40.031 61.023 1.00 0.00 SOLV H ATOM 29525 H2 TIP3 9165 65.166 41.525 60.969 1.00 0.00 SOLV H ATOM 29526 OH2 TIP3 9166 67.101 55.531 58.744 1.00 0.00 SOLV O ATOM 29527 H1 TIP3 9166 67.898 56.022 58.503 1.00 0.00 SOLV H ATOM 29528 H2 TIP3 9166 67.052 54.870 58.016 1.00 0.00 SOLV H ATOM 29529 OH2 TIP3 9167 59.988 55.258 57.247 1.00 0.00 SOLV O ATOM 29530 H1 TIP3 9167 59.788 55.170 58.189 1.00 0.00 SOLV H ATOM 29531 H2 TIP3 9167 60.798 54.700 57.161 1.00 0.00 SOLV H ATOM 29532 OH2 TIP3 9168 11.866 66.470 63.704 1.00 0.00 SOLV O ATOM 29533 H1 TIP3 9168 11.664 67.370 63.992 1.00 0.00 SOLV H ATOM 29534 H2 TIP3 9168 11.316 66.375 62.899 1.00 0.00 SOLV H ATOM 29535 OH2 TIP3 9169 11.007 65.730 67.254 1.00 0.00 SOLV O ATOM 29536 H1 TIP3 9169 10.943 64.986 67.877 1.00 0.00 SOLV H ATOM 29537 H2 TIP3 9169 10.667 65.333 66.436 1.00 0.00 SOLV H ATOM 29538 OH2 TIP3 9170 14.157 68.070 65.487 1.00 0.00 SOLV O ATOM 29539 H1 TIP3 9170 13.989 67.482 66.232 1.00 0.00 SOLV H ATOM 29540 H2 TIP3 9170 14.883 68.635 65.836 1.00 0.00 SOLV H ATOM 29541 OH2 TIP3 9171 1.214 63.705 62.631 1.00 0.00 SOLV O ATOM 29542 H1 TIP3 9171 1.285 64.581 63.040 1.00 0.00 SOLV H ATOM 29543 H2 TIP3 9171 0.260 63.648 62.428 1.00 0.00 SOLV H ATOM 29544 OH2 TIP3 9172 1.797 65.687 64.884 1.00 0.00 SOLV O ATOM 29545 H1 TIP3 9172 2.049 64.784 65.183 1.00 0.00 SOLV H ATOM 29546 H2 TIP3 9172 2.647 66.148 64.930 1.00 0.00 SOLV H ATOM 29547 OH2 TIP3 9173 9.390 67.952 67.703 1.00 0.00 SOLV O ATOM 29548 H1 TIP3 9173 9.968 67.198 67.471 1.00 0.00 SOLV H ATOM 29549 H2 TIP3 9173 9.799 68.258 68.518 1.00 0.00 SOLV H ATOM 29550 OH2 TIP3 9174 18.477 59.721 68.310 1.00 0.00 SOLV O ATOM 29551 H1 TIP3 9174 18.115 60.600 68.161 1.00 0.00 SOLV H ATOM 29552 H2 TIP3 9174 19.158 59.689 67.604 1.00 0.00 SOLV H ATOM 29553 OH2 TIP3 9175 11.930 62.776 67.881 1.00 0.00 SOLV O ATOM 29554 H1 TIP3 9175 12.265 61.862 67.984 1.00 0.00 SOLV H ATOM 29555 H2 TIP3 9175 12.083 62.907 66.929 1.00 0.00 SOLV H ATOM 29556 OH2 TIP3 9176 5.914 60.709 64.993 1.00 0.00 SOLV O ATOM 29557 H1 TIP3 9176 5.959 61.596 64.578 1.00 0.00 SOLV H ATOM 29558 H2 TIP3 9176 5.430 60.216 64.299 1.00 0.00 SOLV H ATOM 29559 OH2 TIP3 9177 13.583 61.129 63.394 1.00 0.00 SOLV O ATOM 29560 H1 TIP3 9177 14.042 60.673 64.137 1.00 0.00 SOLV H ATOM 29561 H2 TIP3 9177 14.330 61.540 62.922 1.00 0.00 SOLV H ATOM 29562 OH2 TIP3 9178 2.426 63.159 65.703 1.00 0.00 SOLV O ATOM 29563 H1 TIP3 9178 2.923 62.560 66.300 1.00 0.00 SOLV H ATOM 29564 H2 TIP3 9178 2.710 62.778 64.842 1.00 0.00 SOLV H ATOM 29565 OH2 TIP3 9179 7.278 64.701 65.256 1.00 0.00 SOLV O ATOM 29566 H1 TIP3 9179 8.096 64.248 65.545 1.00 0.00 SOLV H ATOM 29567 H2 TIP3 9179 6.878 64.020 64.675 1.00 0.00 SOLV H ATOM 29568 OH2 TIP3 9180 14.853 60.242 65.638 1.00 0.00 SOLV O ATOM 29569 H1 TIP3 9180 14.190 60.164 66.352 1.00 0.00 SOLV H ATOM 29570 H2 TIP3 9180 15.515 60.831 66.053 1.00 0.00 SOLV H ATOM 29571 OH2 TIP3 9181 3.977 61.251 66.950 1.00 0.00 SOLV O ATOM 29572 H1 TIP3 9181 4.555 61.623 67.649 1.00 0.00 SOLV H ATOM 29573 H2 TIP3 9181 4.657 60.921 66.325 1.00 0.00 SOLV H ATOM 29574 OH2 TIP3 9182 8.149 56.903 66.551 1.00 0.00 SOLV O ATOM 29575 H1 TIP3 9182 7.814 55.989 66.491 1.00 0.00 SOLV H ATOM 29576 H2 TIP3 9182 7.340 57.362 66.889 1.00 0.00 SOLV H ATOM 29577 OH2 TIP3 9183 10.744 65.808 61.304 1.00 0.00 SOLV O ATOM 29578 H1 TIP3 9183 10.055 66.431 60.968 1.00 0.00 SOLV H ATOM 29579 H2 TIP3 9183 11.404 65.859 60.589 1.00 0.00 SOLV H ATOM 29580 OH2 TIP3 9184 10.759 64.527 57.908 1.00 0.00 SOLV O ATOM 29581 H1 TIP3 9184 11.330 64.830 58.639 1.00 0.00 SOLV H ATOM 29582 H2 TIP3 9184 11.375 63.917 57.452 1.00 0.00 SOLV H ATOM 29583 OH2 TIP3 9185 14.057 65.625 62.190 1.00 0.00 SOLV O ATOM 29584 H1 TIP3 9185 13.380 65.943 62.827 1.00 0.00 SOLV H ATOM 29585 H2 TIP3 9185 14.790 65.387 62.791 1.00 0.00 SOLV H ATOM 29586 OH2 TIP3 9186 5.474 66.536 64.199 1.00 0.00 SOLV O ATOM 29587 H1 TIP3 9186 5.277 66.211 63.290 1.00 0.00 SOLV H ATOM 29588 H2 TIP3 9186 6.126 65.870 64.509 1.00 0.00 SOLV H ATOM 29589 OH2 TIP3 9187 6.058 65.377 67.695 1.00 0.00 SOLV O ATOM 29590 H1 TIP3 9187 6.604 65.528 66.895 1.00 0.00 SOLV H ATOM 29591 H2 TIP3 9187 6.102 66.240 68.176 1.00 0.00 SOLV H ATOM 29592 OH2 TIP3 9188 12.877 65.339 59.616 1.00 0.00 SOLV O ATOM 29593 H1 TIP3 9188 13.379 65.753 60.351 1.00 0.00 SOLV H ATOM 29594 H2 TIP3 9188 13.404 65.670 58.848 1.00 0.00 SOLV H ATOM 29595 OH2 TIP3 9189 16.614 56.946 59.506 1.00 0.00 SOLV O ATOM 29596 H1 TIP3 9189 15.789 57.311 59.869 1.00 0.00 SOLV H ATOM 29597 H2 TIP3 9189 17.055 57.759 59.171 1.00 0.00 SOLV H ATOM 29598 OH2 TIP3 9190 4.652 65.780 61.651 1.00 0.00 SOLV O ATOM 29599 H1 TIP3 9190 4.217 66.416 61.045 1.00 0.00 SOLV H ATOM 29600 H2 TIP3 9190 4.318 64.937 61.326 1.00 0.00 SOLV H ATOM 29601 OH2 TIP3 9191 5.865 58.057 67.444 1.00 0.00 SOLV O ATOM 29602 H1 TIP3 9191 4.926 58.136 67.197 1.00 0.00 SOLV H ATOM 29603 H2 TIP3 9191 5.981 58.815 68.061 1.00 0.00 SOLV H ATOM 29604 OH2 TIP3 9192 14.331 65.959 57.406 1.00 0.00 SOLV O ATOM 29605 H1 TIP3 9192 14.301 65.986 56.431 1.00 0.00 SOLV H ATOM 29606 H2 TIP3 9192 15.189 66.399 57.580 1.00 0.00 SOLV H ATOM 29607 OH2 TIP3 9193 9.956 59.992 58.226 1.00 0.00 SOLV O ATOM 29608 H1 TIP3 9193 9.342 59.875 58.978 1.00 0.00 SOLV H ATOM 29609 H2 TIP3 9193 9.552 59.367 57.592 1.00 0.00 SOLV H ATOM 29610 OH2 TIP3 9194 5.421 62.908 68.655 1.00 0.00 SOLV O ATOM 29611 H1 TIP3 9194 4.607 63.375 68.890 1.00 0.00 SOLV H ATOM 29612 H2 TIP3 9194 5.888 63.643 68.198 1.00 0.00 SOLV H ATOM 29613 OH2 TIP3 9195 5.932 63.032 63.572 1.00 0.00 SOLV O ATOM 29614 H1 TIP3 9195 4.961 62.896 63.508 1.00 0.00 SOLV H ATOM 29615 H2 TIP3 9195 6.187 62.801 62.651 1.00 0.00 SOLV H ATOM 29616 OH2 TIP3 9196 11.303 63.371 62.434 1.00 0.00 SOLV O ATOM 29617 H1 TIP3 9196 11.097 64.268 62.085 1.00 0.00 SOLV H ATOM 29618 H2 TIP3 9196 11.995 63.083 61.805 1.00 0.00 SOLV H ATOM 29619 OH2 TIP3 9197 12.097 62.920 65.028 1.00 0.00 SOLV O ATOM 29620 H1 TIP3 9197 11.774 63.418 64.242 1.00 0.00 SOLV H ATOM 29621 H2 TIP3 9197 12.473 62.158 64.540 1.00 0.00 SOLV H ATOM 29622 OH2 TIP3 9198 6.775 60.535 57.061 1.00 0.00 SOLV O ATOM 29623 H1 TIP3 9198 6.400 60.380 57.949 1.00 0.00 SOLV H ATOM 29624 H2 TIP3 9198 6.198 61.258 56.745 1.00 0.00 SOLV H ATOM 29625 OH2 TIP3 9199 0.556 60.451 64.059 1.00 0.00 SOLV O ATOM 29626 H1 TIP3 9199 0.904 60.322 64.966 1.00 0.00 SOLV H ATOM 29627 H2 TIP3 9199 0.922 59.685 63.598 1.00 0.00 SOLV H ATOM 29628 OH2 TIP3 9200 1.588 60.947 60.099 1.00 0.00 SOLV O ATOM 29629 H1 TIP3 9200 2.078 60.473 59.408 1.00 0.00 SOLV H ATOM 29630 H2 TIP3 9200 1.644 61.854 59.738 1.00 0.00 SOLV H ATOM 29631 OH2 TIP3 9201 8.672 60.426 64.450 1.00 0.00 SOLV O ATOM 29632 H1 TIP3 9201 7.748 60.492 64.775 1.00 0.00 SOLV H ATOM 29633 H2 TIP3 9201 9.135 60.073 65.232 1.00 0.00 SOLV H ATOM 29634 OH2 TIP3 9202 3.389 62.154 63.343 1.00 0.00 SOLV O ATOM 29635 H1 TIP3 9202 2.577 62.457 62.879 1.00 0.00 SOLV H ATOM 29636 H2 TIP3 9202 3.523 61.246 63.000 1.00 0.00 SOLV H ATOM 29637 OH2 TIP3 9203 6.479 62.227 61.031 1.00 0.00 SOLV O ATOM 29638 H1 TIP3 9203 7.454 62.233 61.070 1.00 0.00 SOLV H ATOM 29639 H2 TIP3 9203 6.287 62.670 60.172 1.00 0.00 SOLV H ATOM 29640 OH2 TIP3 9204 12.625 60.077 67.570 1.00 0.00 SOLV O ATOM 29641 H1 TIP3 9204 12.633 59.629 68.430 1.00 0.00 SOLV H ATOM 29642 H2 TIP3 9204 11.864 59.654 67.129 1.00 0.00 SOLV H ATOM 29643 OH2 TIP3 9205 5.845 63.249 58.611 1.00 0.00 SOLV O ATOM 29644 H1 TIP3 9205 5.335 63.038 57.807 1.00 0.00 SOLV H ATOM 29645 H2 TIP3 9205 6.621 63.702 58.217 1.00 0.00 SOLV H ATOM 29646 OH2 TIP3 9206 9.550 63.393 66.246 1.00 0.00 SOLV O ATOM 29647 H1 TIP3 9206 10.312 63.122 65.706 1.00 0.00 SOLV H ATOM 29648 H2 TIP3 9206 9.711 62.898 67.061 1.00 0.00 SOLV H ATOM 29649 OH2 TIP3 9207 4.476 59.574 62.888 1.00 0.00 SOLV O ATOM 29650 H1 TIP3 9207 3.961 58.809 63.226 1.00 0.00 SOLV H ATOM 29651 H2 TIP3 9207 4.961 59.168 62.158 1.00 0.00 SOLV H ATOM 29652 OH2 TIP3 9208 8.854 67.509 60.447 1.00 0.00 SOLV O ATOM 29653 H1 TIP3 9208 8.083 67.473 59.861 1.00 0.00 SOLV H ATOM 29654 H2 TIP3 9208 8.431 67.727 61.308 1.00 0.00 SOLV H ATOM 29655 OH2 TIP3 9209 12.523 60.466 58.952 1.00 0.00 SOLV O ATOM 29656 H1 TIP3 9209 11.577 60.461 58.669 1.00 0.00 SOLV H ATOM 29657 H2 TIP3 9209 12.642 61.373 59.297 1.00 0.00 SOLV H ATOM 29658 OH2 TIP3 9210 13.244 62.736 60.526 1.00 0.00 SOLV O ATOM 29659 H1 TIP3 9210 14.146 62.697 60.884 1.00 0.00 SOLV H ATOM 29660 H2 TIP3 9210 13.208 63.653 60.177 1.00 0.00 SOLV H ATOM 29661 OH2 TIP3 9211 3.952 67.307 66.360 1.00 0.00 SOLV O ATOM 29662 H1 TIP3 9211 4.495 67.166 65.553 1.00 0.00 SOLV H ATOM 29663 H2 TIP3 9211 4.530 66.895 67.028 1.00 0.00 SOLV H ATOM 29664 OH2 TIP3 9212 17.936 63.121 60.222 1.00 0.00 SOLV O ATOM 29665 H1 TIP3 9212 17.529 62.913 59.345 1.00 0.00 SOLV H ATOM 29666 H2 TIP3 9212 18.165 64.057 60.011 1.00 0.00 SOLV H ATOM 29667 OH2 TIP3 9213 13.702 66.199 67.490 1.00 0.00 SOLV O ATOM 29668 H1 TIP3 9213 12.729 66.132 67.361 1.00 0.00 SOLV H ATOM 29669 H2 TIP3 9213 14.022 65.460 66.932 1.00 0.00 SOLV H ATOM 29670 OH2 TIP3 9214 2.141 65.653 58.152 1.00 0.00 SOLV O ATOM 29671 H1 TIP3 9214 2.811 66.040 58.758 1.00 0.00 SOLV H ATOM 29672 H2 TIP3 9214 1.544 66.413 58.080 1.00 0.00 SOLV H ATOM 29673 OH2 TIP3 9215 7.582 67.923 62.813 1.00 0.00 SOLV O ATOM 29674 H1 TIP3 9215 7.538 68.858 63.100 1.00 0.00 SOLV H ATOM 29675 H2 TIP3 9215 6.949 67.512 63.421 1.00 0.00 SOLV H ATOM 29676 OH2 TIP3 9216 14.653 67.672 60.403 1.00 0.00 SOLV O ATOM 29677 H1 TIP3 9216 14.800 67.016 61.108 1.00 0.00 SOLV H ATOM 29678 H2 TIP3 9216 15.566 67.900 60.139 1.00 0.00 SOLV H ATOM 29679 OH2 TIP3 9217 3.567 67.408 59.699 1.00 0.00 SOLV O ATOM 29680 H1 TIP3 9217 2.963 68.184 59.591 1.00 0.00 SOLV H ATOM 29681 H2 TIP3 9217 4.364 67.740 59.261 1.00 0.00 SOLV H ATOM 29682 OH2 TIP3 9218 12.320 59.361 61.552 1.00 0.00 SOLV O ATOM 29683 H1 TIP3 9218 12.371 59.725 60.642 1.00 0.00 SOLV H ATOM 29684 H2 TIP3 9218 12.640 60.117 62.086 1.00 0.00 SOLV H ATOM 29685 OH2 TIP3 9219 9.118 61.725 62.056 1.00 0.00 SOLV O ATOM 29686 H1 TIP3 9219 9.868 62.343 62.205 1.00 0.00 SOLV H ATOM 29687 H2 TIP3 9219 8.939 61.427 62.973 1.00 0.00 SOLV H ATOM 29688 OH2 TIP3 9220 9.831 58.503 62.619 1.00 0.00 SOLV O ATOM 29689 H1 TIP3 9220 9.608 59.223 63.244 1.00 0.00 SOLV H ATOM 29690 H2 TIP3 9220 10.699 58.811 62.273 1.00 0.00 SOLV H ATOM 29691 OH2 TIP3 9221 5.832 59.937 59.609 1.00 0.00 SOLV O ATOM 29692 H1 TIP3 9221 5.833 60.739 60.173 1.00 0.00 SOLV H ATOM 29693 H2 TIP3 9221 6.722 59.590 59.839 1.00 0.00 SOLV H ATOM 29694 OH2 TIP3 9222 14.528 64.011 65.981 1.00 0.00 SOLV O ATOM 29695 H1 TIP3 9222 13.701 63.576 65.691 1.00 0.00 SOLV H ATOM 29696 H2 TIP3 9222 15.003 63.302 66.463 1.00 0.00 SOLV H ATOM 29697 OH2 TIP3 9223 1.768 62.872 57.973 1.00 0.00 SOLV O ATOM 29698 H1 TIP3 9223 2.001 63.818 58.043 1.00 0.00 SOLV H ATOM 29699 H2 TIP3 9223 1.588 62.772 57.014 1.00 0.00 SOLV H ATOM 29700 OH2 TIP3 9224 3.095 57.843 66.436 1.00 0.00 SOLV O ATOM 29701 H1 TIP3 9224 3.138 57.683 65.471 1.00 0.00 SOLV H ATOM 29702 H2 TIP3 9224 2.846 56.952 66.765 1.00 0.00 SOLV H ATOM 29703 OH2 TIP3 9225 5.630 67.819 57.142 1.00 0.00 SOLV O ATOM 29704 H1 TIP3 9225 5.980 67.327 57.917 1.00 0.00 SOLV H ATOM 29705 H2 TIP3 9225 6.435 67.841 56.571 1.00 0.00 SOLV H ATOM 29706 OH2 TIP3 9226 6.566 66.376 59.242 1.00 0.00 SOLV O ATOM 29707 H1 TIP3 9226 6.336 65.924 60.068 1.00 0.00 SOLV H ATOM 29708 H2 TIP3 9226 7.119 65.703 58.787 1.00 0.00 SOLV H ATOM 29709 OH2 TIP3 9227 8.011 64.588 57.659 1.00 0.00 SOLV O ATOM 29710 H1 TIP3 9227 8.055 64.874 56.722 1.00 0.00 SOLV H ATOM 29711 H2 TIP3 9227 8.969 64.448 57.838 1.00 0.00 SOLV H ATOM 29712 OH2 TIP3 9228 16.982 67.019 57.284 1.00 0.00 SOLV O ATOM 29713 H1 TIP3 9228 16.994 66.962 56.309 1.00 0.00 SOLV H ATOM 29714 H2 TIP3 9228 17.256 67.942 57.441 1.00 0.00 SOLV H ATOM 29715 OH2 TIP3 9229 17.633 67.312 60.966 1.00 0.00 SOLV O ATOM 29716 H1 TIP3 9229 17.832 68.260 60.955 1.00 0.00 SOLV H ATOM 29717 H2 TIP3 9229 17.997 66.982 61.813 1.00 0.00 SOLV H ATOM 29718 OH2 TIP3 9230 18.376 65.670 63.060 1.00 0.00 SOLV O ATOM 29719 H1 TIP3 9230 17.516 65.323 63.388 1.00 0.00 SOLV H ATOM 29720 H2 TIP3 9230 18.906 65.749 63.882 1.00 0.00 SOLV H ATOM 29721 OH2 TIP3 9231 18.101 68.830 68.253 1.00 0.00 SOLV O ATOM 29722 H1 TIP3 9231 18.762 68.633 67.582 1.00 0.00 SOLV H ATOM 29723 H2 TIP3 9231 17.611 69.566 67.847 1.00 0.00 SOLV H ATOM 29724 OH2 TIP3 9232 18.440 65.561 59.121 1.00 0.00 SOLV O ATOM 29725 H1 TIP3 9232 17.924 65.926 58.370 1.00 0.00 SOLV H ATOM 29726 H2 TIP3 9232 18.155 66.203 59.814 1.00 0.00 SOLV H ATOM 29727 OH2 TIP3 9233 16.901 62.807 57.754 1.00 0.00 SOLV O ATOM 29728 H1 TIP3 9233 16.740 63.439 57.043 1.00 0.00 SOLV H ATOM 29729 H2 TIP3 9233 16.589 61.976 57.335 1.00 0.00 SOLV H ATOM 29730 OH2 TIP3 9234 16.027 64.447 63.728 1.00 0.00 SOLV O ATOM 29731 H1 TIP3 9234 15.894 63.585 63.296 1.00 0.00 SOLV H ATOM 29732 H2 TIP3 9234 15.535 64.352 64.571 1.00 0.00 SOLV H ATOM 29733 OH2 TIP3 9235 1.412 66.624 67.533 1.00 0.00 SOLV O ATOM 29734 H1 TIP3 9235 1.186 66.590 66.593 1.00 0.00 SOLV H ATOM 29735 H2 TIP3 9235 2.210 67.179 67.493 1.00 0.00 SOLV H ATOM 29736 OH2 TIP3 9236 16.012 60.440 56.744 1.00 0.00 SOLV O ATOM 29737 H1 TIP3 9236 16.420 59.823 57.374 1.00 0.00 SOLV H ATOM 29738 H2 TIP3 9236 15.148 60.036 56.542 1.00 0.00 SOLV H ATOM 29739 OH2 TIP3 9237 15.855 62.154 61.957 1.00 0.00 SOLV O ATOM 29740 H1 TIP3 9237 16.362 61.360 62.167 1.00 0.00 SOLV H ATOM 29741 H2 TIP3 9237 16.487 62.608 61.357 1.00 0.00 SOLV H ATOM 29742 OH2 TIP3 9238 16.174 62.070 67.201 1.00 0.00 SOLV O ATOM 29743 H1 TIP3 9238 17.053 62.489 67.314 1.00 0.00 SOLV H ATOM 29744 H2 TIP3 9238 16.075 61.521 68.009 1.00 0.00 SOLV H ATOM 29745 OH2 TIP3 9239 1.490 60.042 66.643 1.00 0.00 SOLV O ATOM 29746 H1 TIP3 9239 1.914 59.157 66.666 1.00 0.00 SOLV H ATOM 29747 H2 TIP3 9239 2.288 60.578 66.830 1.00 0.00 SOLV H ATOM 29748 OH2 TIP3 9240 0.413 64.061 67.653 1.00 0.00 SOLV O ATOM 29749 H1 TIP3 9240 0.650 63.751 66.763 1.00 0.00 SOLV H ATOM 29750 H2 TIP3 9240 0.873 64.935 67.688 1.00 0.00 SOLV H ATOM 29751 OH2 TIP3 9241 17.921 59.128 58.544 1.00 0.00 SOLV O ATOM 29752 H1 TIP3 9241 18.353 58.588 57.848 1.00 0.00 SOLV H ATOM 29753 H2 TIP3 9241 18.628 59.766 58.771 1.00 0.00 SOLV H ATOM 29754 OH2 TIP3 9242 1.270 58.657 61.673 1.00 0.00 SOLV O ATOM 29755 H1 TIP3 9242 0.300 58.684 61.651 1.00 0.00 SOLV H ATOM 29756 H2 TIP3 9242 1.470 59.507 61.222 1.00 0.00 SOLV H ATOM 29757 OH2 TIP3 9243 10.404 58.807 66.082 1.00 0.00 SOLV O ATOM 29758 H1 TIP3 9243 9.753 58.121 66.322 1.00 0.00 SOLV H ATOM 29759 H2 TIP3 9243 11.164 58.258 65.830 1.00 0.00 SOLV H ATOM 29760 OH2 TIP3 9244 15.667 57.115 65.286 1.00 0.00 SOLV O ATOM 29761 H1 TIP3 9244 16.030 57.628 66.020 1.00 0.00 SOLV H ATOM 29762 H2 TIP3 9244 14.726 57.407 65.298 1.00 0.00 SOLV H ATOM 29763 OH2 TIP3 9245 2.962 57.446 63.650 1.00 0.00 SOLV O ATOM 29764 H1 TIP3 9245 2.293 57.570 62.949 1.00 0.00 SOLV H ATOM 29765 H2 TIP3 9245 3.198 56.497 63.547 1.00 0.00 SOLV H ATOM 29766 OH2 TIP3 9246 1.833 57.059 59.466 1.00 0.00 SOLV O ATOM 29767 H1 TIP3 9246 2.250 57.681 58.849 1.00 0.00 SOLV H ATOM 29768 H2 TIP3 9246 1.765 57.586 60.286 1.00 0.00 SOLV H ATOM 29769 OH2 TIP3 9247 7.549 57.070 63.678 1.00 0.00 SOLV O ATOM 29770 H1 TIP3 9247 8.308 57.546 63.303 1.00 0.00 SOLV H ATOM 29771 H2 TIP3 9247 7.673 57.216 64.630 1.00 0.00 SOLV H ATOM 29772 OH2 TIP3 9248 12.950 57.505 64.992 1.00 0.00 SOLV O ATOM 29773 H1 TIP3 9248 12.623 57.470 64.086 1.00 0.00 SOLV H ATOM 29774 H2 TIP3 9248 12.551 56.678 65.358 1.00 0.00 SOLV H ATOM 29775 OH2 TIP3 9249 14.529 57.470 61.526 1.00 0.00 SOLV O ATOM 29776 H1 TIP3 9249 13.794 58.114 61.469 1.00 0.00 SOLV H ATOM 29777 H2 TIP3 9249 14.039 56.632 61.370 1.00 0.00 SOLV H ATOM 29778 OH2 TIP3 9250 3.616 59.063 58.129 1.00 0.00 SOLV O ATOM 29779 H1 TIP3 9250 4.033 58.437 57.493 1.00 0.00 SOLV H ATOM 29780 H2 TIP3 9250 4.396 59.322 58.669 1.00 0.00 SOLV H ATOM 29781 OH2 TIP3 9251 8.422 59.609 60.476 1.00 0.00 SOLV O ATOM 29782 H1 TIP3 9251 8.763 58.912 61.063 1.00 0.00 SOLV H ATOM 29783 H2 TIP3 9251 8.691 60.405 60.987 1.00 0.00 SOLV H ATOM 29784 OH2 TIP3 9252 30.769 66.587 63.652 1.00 0.00 SOLV O ATOM 29785 H1 TIP3 9252 30.394 67.431 63.937 1.00 0.00 SOLV H ATOM 29786 H2 TIP3 9252 30.217 66.374 62.871 1.00 0.00 SOLV H ATOM 29787 OH2 TIP3 9253 29.862 65.699 67.252 1.00 0.00 SOLV O ATOM 29788 H1 TIP3 9253 29.873 64.952 67.875 1.00 0.00 SOLV H ATOM 29789 H2 TIP3 9253 29.488 65.282 66.458 1.00 0.00 SOLV H ATOM 29790 OH2 TIP3 9254 33.004 68.251 65.637 1.00 0.00 SOLV O ATOM 29791 H1 TIP3 9254 32.737 67.399 66.018 1.00 0.00 SOLV H ATOM 29792 H2 TIP3 9254 33.696 68.516 66.264 1.00 0.00 SOLV H ATOM 29793 OH2 TIP3 9255 19.765 63.310 62.287 1.00 0.00 SOLV O ATOM 29794 H1 TIP3 9255 19.413 64.155 62.623 1.00 0.00 SOLV H ATOM 29795 H2 TIP3 9255 19.152 63.159 61.546 1.00 0.00 SOLV H ATOM 29796 OH2 TIP3 9256 20.344 65.662 64.936 1.00 0.00 SOLV O ATOM 29797 H1 TIP3 9256 20.590 64.735 65.153 1.00 0.00 SOLV H ATOM 29798 H2 TIP3 9256 21.212 66.065 64.781 1.00 0.00 SOLV H ATOM 29799 OH2 TIP3 9257 28.248 67.933 67.716 1.00 0.00 SOLV O ATOM 29800 H1 TIP3 9257 28.815 67.171 67.482 1.00 0.00 SOLV H ATOM 29801 H2 TIP3 9257 28.652 68.222 68.539 1.00 0.00 SOLV H ATOM 29802 OH2 TIP3 9258 37.448 59.827 68.434 1.00 0.00 SOLV O ATOM 29803 H1 TIP3 9258 36.912 60.574 68.141 1.00 0.00 SOLV H ATOM 29804 H2 TIP3 9258 38.130 59.799 67.732 1.00 0.00 SOLV H ATOM 29805 OH2 TIP3 9259 30.767 62.817 67.872 1.00 0.00 SOLV O ATOM 29806 H1 TIP3 9259 31.075 61.895 68.008 1.00 0.00 SOLV H ATOM 29807 H2 TIP3 9259 30.947 62.911 66.920 1.00 0.00 SOLV H ATOM 29808 OH2 TIP3 9260 24.757 60.729 65.021 1.00 0.00 SOLV O ATOM 29809 H1 TIP3 9260 24.805 61.608 64.586 1.00 0.00 SOLV H ATOM 29810 H2 TIP3 9260 24.270 60.227 64.334 1.00 0.00 SOLV H ATOM 29811 OH2 TIP3 9261 32.405 61.113 63.346 1.00 0.00 SOLV O ATOM 29812 H1 TIP3 9261 32.869 60.691 64.107 1.00 0.00 SOLV H ATOM 29813 H2 TIP3 9261 33.170 61.461 62.850 1.00 0.00 SOLV H ATOM 29814 OH2 TIP3 9262 21.013 63.147 65.718 1.00 0.00 SOLV O ATOM 29815 H1 TIP3 9262 21.686 62.686 66.259 1.00 0.00 SOLV H ATOM 29816 H2 TIP3 9262 21.278 62.806 64.836 1.00 0.00 SOLV H ATOM 29817 OH2 TIP3 9263 26.093 64.677 65.256 1.00 0.00 SOLV O ATOM 29818 H1 TIP3 9263 26.924 64.237 65.528 1.00 0.00 SOLV H ATOM 29819 H2 TIP3 9263 25.692 63.997 64.674 1.00 0.00 SOLV H ATOM 29820 OH2 TIP3 9264 33.751 60.396 65.560 1.00 0.00 SOLV O ATOM 29821 H1 TIP3 9264 33.319 59.936 66.293 1.00 0.00 SOLV H ATOM 29822 H2 TIP3 9264 34.348 61.008 66.037 1.00 0.00 SOLV H ATOM 29823 OH2 TIP3 9265 22.815 61.431 66.856 1.00 0.00 SOLV O ATOM 29824 H1 TIP3 9265 23.385 61.769 67.577 1.00 0.00 SOLV H ATOM 29825 H2 TIP3 9265 23.503 61.103 66.237 1.00 0.00 SOLV H ATOM 29826 OH2 TIP3 9266 27.000 56.970 66.482 1.00 0.00 SOLV O ATOM 29827 H1 TIP3 9266 26.716 56.040 66.444 1.00 0.00 SOLV H ATOM 29828 H2 TIP3 9266 26.187 57.390 66.854 1.00 0.00 SOLV H ATOM 29829 OH2 TIP3 9267 29.599 65.821 61.312 1.00 0.00 SOLV O ATOM 29830 H1 TIP3 9267 28.907 66.446 60.986 1.00 0.00 SOLV H ATOM 29831 H2 TIP3 9267 30.233 65.850 60.572 1.00 0.00 SOLV H ATOM 29832 OH2 TIP3 9268 29.615 64.538 57.907 1.00 0.00 SOLV O ATOM 29833 H1 TIP3 9268 30.197 64.820 58.637 1.00 0.00 SOLV H ATOM 29834 H2 TIP3 9268 30.215 63.921 57.438 1.00 0.00 SOLV H ATOM 29835 OH2 TIP3 9269 32.927 65.664 62.151 1.00 0.00 SOLV O ATOM 29836 H1 TIP3 9269 32.255 65.972 62.800 1.00 0.00 SOLV H ATOM 29837 H2 TIP3 9269 33.627 65.317 62.741 1.00 0.00 SOLV H ATOM 29838 OH2 TIP3 9270 24.294 66.522 64.199 1.00 0.00 SOLV O ATOM 29839 H1 TIP3 9270 24.101 66.224 63.282 1.00 0.00 SOLV H ATOM 29840 H2 TIP3 9270 24.951 65.857 64.496 1.00 0.00 SOLV H ATOM 29841 OH2 TIP3 9271 24.867 65.382 67.692 1.00 0.00 SOLV O ATOM 29842 H1 TIP3 9271 25.396 65.501 66.876 1.00 0.00 SOLV H ATOM 29843 H2 TIP3 9271 24.918 66.264 68.134 1.00 0.00 SOLV H ATOM 29844 OH2 TIP3 9272 31.725 65.328 59.626 1.00 0.00 SOLV O ATOM 29845 H1 TIP3 9272 32.230 65.699 60.380 1.00 0.00 SOLV H ATOM 29846 H2 TIP3 9272 32.264 65.665 58.867 1.00 0.00 SOLV H ATOM 29847 OH2 TIP3 9273 35.493 56.867 59.554 1.00 0.00 SOLV O ATOM 29848 H1 TIP3 9273 34.619 57.177 59.870 1.00 0.00 SOLV H ATOM 29849 H2 TIP3 9273 35.900 57.718 59.281 1.00 0.00 SOLV H ATOM 29850 OH2 TIP3 9274 23.477 65.839 61.607 1.00 0.00 SOLV O ATOM 29851 H1 TIP3 9274 23.014 66.484 61.030 1.00 0.00 SOLV H ATOM 29852 H2 TIP3 9274 23.125 65.003 61.281 1.00 0.00 SOLV H ATOM 29853 OH2 TIP3 9275 24.721 58.031 67.511 1.00 0.00 SOLV O ATOM 29854 H1 TIP3 9275 23.808 58.127 67.184 1.00 0.00 SOLV H ATOM 29855 H2 TIP3 9275 24.849 58.853 68.034 1.00 0.00 SOLV H ATOM 29856 OH2 TIP3 9276 33.199 65.981 57.450 1.00 0.00 SOLV O ATOM 29857 H1 TIP3 9276 33.141 65.988 56.475 1.00 0.00 SOLV H ATOM 29858 H2 TIP3 9276 34.078 66.387 57.588 1.00 0.00 SOLV H ATOM 29859 OH2 TIP3 9277 28.802 59.996 58.245 1.00 0.00 SOLV O ATOM 29860 H1 TIP3 9277 28.188 59.875 58.995 1.00 0.00 SOLV H ATOM 29861 H2 TIP3 9277 28.394 59.383 57.601 1.00 0.00 SOLV H ATOM 29862 OH2 TIP3 9278 24.264 62.923 68.673 1.00 0.00 SOLV O ATOM 29863 H1 TIP3 9278 23.414 63.299 68.952 1.00 0.00 SOLV H ATOM 29864 H2 TIP3 9278 24.660 63.719 68.246 1.00 0.00 SOLV H ATOM 29865 OH2 TIP3 9279 24.652 63.024 63.591 1.00 0.00 SOLV O ATOM 29866 H1 TIP3 9279 23.678 62.934 63.509 1.00 0.00 SOLV H ATOM 29867 H2 TIP3 9279 24.921 62.781 62.676 1.00 0.00 SOLV H ATOM 29868 OH2 TIP3 9280 30.148 63.380 62.441 1.00 0.00 SOLV O ATOM 29869 H1 TIP3 9280 29.944 64.263 62.057 1.00 0.00 SOLV H ATOM 29870 H2 TIP3 9280 30.838 63.061 61.822 1.00 0.00 SOLV H ATOM 29871 OH2 TIP3 9281 30.952 62.889 65.003 1.00 0.00 SOLV O ATOM 29872 H1 TIP3 9281 30.618 63.339 64.192 1.00 0.00 SOLV H ATOM 29873 H2 TIP3 9281 31.359 62.120 64.550 1.00 0.00 SOLV H ATOM 29874 OH2 TIP3 9282 25.644 60.551 57.062 1.00 0.00 SOLV O ATOM 29875 H1 TIP3 9282 25.244 60.424 57.943 1.00 0.00 SOLV H ATOM 29876 H2 TIP3 9282 25.069 61.258 56.705 1.00 0.00 SOLV H ATOM 29877 OH2 TIP3 9283 18.733 59.959 64.107 1.00 0.00 SOLV O ATOM 29878 H1 TIP3 9283 19.225 60.152 64.927 1.00 0.00 SOLV H ATOM 29879 H2 TIP3 9283 19.440 59.692 63.509 1.00 0.00 SOLV H ATOM 29880 OH2 TIP3 9284 19.812 61.009 59.593 1.00 0.00 SOLV O ATOM 29881 H1 TIP3 9284 20.464 61.431 58.986 1.00 0.00 SOLV H ATOM 29882 H2 TIP3 9284 19.290 61.801 59.814 1.00 0.00 SOLV H ATOM 29883 OH2 TIP3 9285 27.534 60.450 64.461 1.00 0.00 SOLV O ATOM 29884 H1 TIP3 9285 26.624 60.511 64.819 1.00 0.00 SOLV H ATOM 29885 H2 TIP3 9285 28.025 60.065 65.212 1.00 0.00 SOLV H ATOM 29886 OH2 TIP3 9286 22.034 62.236 63.347 1.00 0.00 SOLV O ATOM 29887 H1 TIP3 9286 21.243 62.521 62.830 1.00 0.00 SOLV H ATOM 29888 H2 TIP3 9286 22.224 61.347 62.990 1.00 0.00 SOLV H ATOM 29889 OH2 TIP3 9287 25.299 62.207 61.077 1.00 0.00 SOLV O ATOM 29890 H1 TIP3 9287 26.273 62.222 61.140 1.00 0.00 SOLV H ATOM 29891 H2 TIP3 9287 25.129 62.661 60.217 1.00 0.00 SOLV H ATOM 29892 OH2 TIP3 9288 31.395 60.112 67.738 1.00 0.00 SOLV O ATOM 29893 H1 TIP3 9288 31.338 59.577 68.541 1.00 0.00 SOLV H ATOM 29894 H2 TIP3 9288 30.794 59.644 67.133 1.00 0.00 SOLV H ATOM 29895 OH2 TIP3 9289 24.718 63.240 58.647 1.00 0.00 SOLV O ATOM 29896 H1 TIP3 9289 24.169 63.038 57.867 1.00 0.00 SOLV H ATOM 29897 H2 TIP3 9289 25.484 63.677 58.216 1.00 0.00 SOLV H ATOM 29898 OH2 TIP3 9290 28.407 63.385 66.219 1.00 0.00 SOLV O ATOM 29899 H1 TIP3 9290 29.158 63.116 65.660 1.00 0.00 SOLV H ATOM 29900 H2 TIP3 9290 28.602 62.898 67.032 1.00 0.00 SOLV H ATOM 29901 OH2 TIP3 9291 23.260 59.619 62.949 1.00 0.00 SOLV O ATOM 29902 H1 TIP3 9291 22.722 58.839 63.205 1.00 0.00 SOLV H ATOM 29903 H2 TIP3 9291 23.777 59.264 62.214 1.00 0.00 SOLV H ATOM 29904 OH2 TIP3 9292 27.714 67.537 60.453 1.00 0.00 SOLV O ATOM 29905 H1 TIP3 9292 26.939 67.401 59.883 1.00 0.00 SOLV H ATOM 29906 H2 TIP3 9292 27.282 67.739 61.313 1.00 0.00 SOLV H ATOM 29907 OH2 TIP3 9293 31.379 60.517 58.904 1.00 0.00 SOLV O ATOM 29908 H1 TIP3 9293 30.423 60.494 58.659 1.00 0.00 SOLV H ATOM 29909 H2 TIP3 9293 31.485 61.401 59.308 1.00 0.00 SOLV H ATOM 29910 OH2 TIP3 9294 32.086 62.709 60.548 1.00 0.00 SOLV O ATOM 29911 H1 TIP3 9294 32.987 62.603 60.904 1.00 0.00 SOLV H ATOM 29912 H2 TIP3 9294 32.105 63.625 60.202 1.00 0.00 SOLV H ATOM 29913 OH2 TIP3 9295 22.680 67.212 66.313 1.00 0.00 SOLV O ATOM 29914 H1 TIP3 9295 23.253 67.053 65.529 1.00 0.00 SOLV H ATOM 29915 H2 TIP3 9295 23.227 66.830 67.016 1.00 0.00 SOLV H ATOM 29916 OH2 TIP3 9296 36.874 63.106 60.160 1.00 0.00 SOLV O ATOM 29917 H1 TIP3 9296 36.414 62.912 59.307 1.00 0.00 SOLV H ATOM 29918 H2 TIP3 9296 37.074 64.051 59.969 1.00 0.00 SOLV H ATOM 29919 OH2 TIP3 9297 32.555 66.177 67.414 1.00 0.00 SOLV O ATOM 29920 H1 TIP3 9297 31.579 66.111 67.329 1.00 0.00 SOLV H ATOM 29921 H2 TIP3 9297 32.857 65.388 66.916 1.00 0.00 SOLV H ATOM 29922 OH2 TIP3 9298 21.087 65.457 58.401 1.00 0.00 SOLV O ATOM 29923 H1 TIP3 9298 21.490 66.224 58.865 1.00 0.00 SOLV H ATOM 29924 H2 TIP3 9298 20.150 65.542 58.693 1.00 0.00 SOLV H ATOM 29925 OH2 TIP3 9299 26.454 67.883 62.843 1.00 0.00 SOLV O ATOM 29926 H1 TIP3 9299 26.395 68.823 63.112 1.00 0.00 SOLV H ATOM 29927 H2 TIP3 9299 25.789 67.485 63.424 1.00 0.00 SOLV H ATOM 29928 OH2 TIP3 9300 33.612 67.726 60.515 1.00 0.00 SOLV O ATOM 29929 H1 TIP3 9300 33.572 67.003 61.170 1.00 0.00 SOLV H ATOM 29930 H2 TIP3 9300 34.565 67.753 60.302 1.00 0.00 SOLV H ATOM 29931 OH2 TIP3 9301 22.272 67.529 59.751 1.00 0.00 SOLV O ATOM 29932 H1 TIP3 9301 21.670 68.315 59.769 1.00 0.00 SOLV H ATOM 29933 H2 TIP3 9301 23.002 67.881 59.223 1.00 0.00 SOLV H ATOM 29934 OH2 TIP3 9302 31.071 59.410 61.509 1.00 0.00 SOLV O ATOM 29935 H1 TIP3 9302 31.201 59.814 60.626 1.00 0.00 SOLV H ATOM 29936 H2 TIP3 9302 31.471 60.085 62.100 1.00 0.00 SOLV H ATOM 29937 OH2 TIP3 9303 27.940 61.753 62.059 1.00 0.00 SOLV O ATOM 29938 H1 TIP3 9303 28.704 62.352 62.206 1.00 0.00 SOLV H ATOM 29939 H2 TIP3 9303 27.794 61.414 62.969 1.00 0.00 SOLV H ATOM 29940 OH2 TIP3 9304 28.690 58.446 62.585 1.00 0.00 SOLV O ATOM 29941 H1 TIP3 9304 28.544 59.129 63.267 1.00 0.00 SOLV H ATOM 29942 H2 TIP3 9304 29.558 58.740 62.219 1.00 0.00 SOLV H ATOM 29943 OH2 TIP3 9305 24.660 59.936 59.589 1.00 0.00 SOLV O ATOM 29944 H1 TIP3 9305 24.650 60.743 60.143 1.00 0.00 SOLV H ATOM 29945 H2 TIP3 9305 25.551 59.598 59.828 1.00 0.00 SOLV H ATOM 29946 OH2 TIP3 9306 33.385 64.000 65.938 1.00 0.00 SOLV O ATOM 29947 H1 TIP3 9306 32.576 63.528 65.658 1.00 0.00 SOLV H ATOM 29948 H2 TIP3 9306 33.879 63.322 66.448 1.00 0.00 SOLV H ATOM 29949 OH2 TIP3 9307 20.967 62.775 57.909 1.00 0.00 SOLV O ATOM 29950 H1 TIP3 9307 21.187 63.675 58.227 1.00 0.00 SOLV H ATOM 29951 H2 TIP3 9307 20.573 62.983 57.052 1.00 0.00 SOLV H ATOM 29952 OH2 TIP3 9308 22.024 57.821 66.422 1.00 0.00 SOLV O ATOM 29953 H1 TIP3 9308 22.052 57.682 65.453 1.00 0.00 SOLV H ATOM 29954 H2 TIP3 9308 21.708 56.949 66.732 1.00 0.00 SOLV H ATOM 29955 OH2 TIP3 9309 24.482 67.811 57.136 1.00 0.00 SOLV O ATOM 29956 H1 TIP3 9309 24.817 67.332 57.926 1.00 0.00 SOLV H ATOM 29957 H2 TIP3 9309 25.285 67.802 56.566 1.00 0.00 SOLV H ATOM 29958 OH2 TIP3 9310 25.474 66.403 59.224 1.00 0.00 SOLV O ATOM 29959 H1 TIP3 9310 25.122 65.938 59.998 1.00 0.00 SOLV H ATOM 29960 H2 TIP3 9310 25.979 65.698 58.764 1.00 0.00 SOLV H ATOM 29961 OH2 TIP3 9311 26.862 64.586 57.636 1.00 0.00 SOLV O ATOM 29962 H1 TIP3 9311 26.901 64.888 56.703 1.00 0.00 SOLV H ATOM 29963 H2 TIP3 9311 27.820 64.449 57.811 1.00 0.00 SOLV H ATOM 29964 OH2 TIP3 9312 35.826 66.988 57.291 1.00 0.00 SOLV O ATOM 29965 H1 TIP3 9312 35.834 66.924 56.315 1.00 0.00 SOLV H ATOM 29966 H2 TIP3 9312 36.019 67.927 57.451 1.00 0.00 SOLV H ATOM 29967 OH2 TIP3 9313 36.485 67.319 60.978 1.00 0.00 SOLV O ATOM 29968 H1 TIP3 9313 36.643 68.271 61.050 1.00 0.00 SOLV H ATOM 29969 H2 TIP3 9313 36.785 66.943 61.833 1.00 0.00 SOLV H ATOM 29970 OH2 TIP3 9314 37.168 65.712 63.097 1.00 0.00 SOLV O ATOM 29971 H1 TIP3 9314 36.331 65.292 63.399 1.00 0.00 SOLV H ATOM 29972 H2 TIP3 9314 37.707 65.744 63.914 1.00 0.00 SOLV H ATOM 29973 OH2 TIP3 9315 36.990 68.806 68.308 1.00 0.00 SOLV O ATOM 29974 H1 TIP3 9315 37.569 68.434 67.637 1.00 0.00 SOLV H ATOM 29975 H2 TIP3 9315 36.563 69.552 67.860 1.00 0.00 SOLV H ATOM 29976 OH2 TIP3 9316 37.330 65.590 59.119 1.00 0.00 SOLV O ATOM 29977 H1 TIP3 9316 36.775 65.917 58.376 1.00 0.00 SOLV H ATOM 29978 H2 TIP3 9316 37.023 66.220 59.814 1.00 0.00 SOLV H ATOM 29979 OH2 TIP3 9317 35.793 62.817 57.689 1.00 0.00 SOLV O ATOM 29980 H1 TIP3 9317 35.535 63.392 56.960 1.00 0.00 SOLV H ATOM 29981 H2 TIP3 9317 35.508 61.946 57.337 1.00 0.00 SOLV H ATOM 29982 OH2 TIP3 9318 34.848 64.357 63.646 1.00 0.00 SOLV O ATOM 29983 H1 TIP3 9318 34.761 63.473 63.248 1.00 0.00 SOLV H ATOM 29984 H2 TIP3 9318 34.387 64.254 64.507 1.00 0.00 SOLV H ATOM 29985 OH2 TIP3 9319 19.669 65.951 67.563 1.00 0.00 SOLV O ATOM 29986 H1 TIP3 9319 19.837 65.989 66.599 1.00 0.00 SOLV H ATOM 29987 H2 TIP3 9319 20.435 66.438 67.899 1.00 0.00 SOLV H ATOM 29988 OH2 TIP3 9320 34.931 60.407 56.728 1.00 0.00 SOLV O ATOM 29989 H1 TIP3 9320 35.330 59.836 57.412 1.00 0.00 SOLV H ATOM 29990 H2 TIP3 9320 34.042 60.027 56.602 1.00 0.00 SOLV H ATOM 29991 OH2 TIP3 9321 34.642 61.996 61.873 1.00 0.00 SOLV O ATOM 29992 H1 TIP3 9321 34.881 61.038 61.880 1.00 0.00 SOLV H ATOM 29993 H2 TIP3 9321 35.396 62.352 61.367 1.00 0.00 SOLV H ATOM 29994 OH2 TIP3 9322 35.028 62.140 67.225 1.00 0.00 SOLV O ATOM 29995 H1 TIP3 9322 35.924 62.522 67.336 1.00 0.00 SOLV H ATOM 29996 H2 TIP3 9322 34.924 61.577 68.024 1.00 0.00 SOLV H ATOM 29997 OH2 TIP3 9323 35.196 59.291 61.910 1.00 0.00 SOLV O ATOM 29998 H1 TIP3 9323 35.370 58.862 62.773 1.00 0.00 SOLV H ATOM 29999 H2 TIP3 9323 34.505 58.695 61.550 1.00 0.00 SOLV H ATOM 30000 OH2 TIP3 9324 20.437 60.052 66.443 1.00 0.00 SOLV O ATOM 30001 H1 TIP3 9324 20.926 59.201 66.478 1.00 0.00 SOLV H ATOM 30002 H2 TIP3 9324 21.191 60.659 66.593 1.00 0.00 SOLV H ATOM 30003 OH2 TIP3 9325 18.773 63.245 67.478 1.00 0.00 SOLV O ATOM 30004 H1 TIP3 9325 19.470 63.055 66.818 1.00 0.00 SOLV H ATOM 30005 H2 TIP3 9325 18.975 64.188 67.653 1.00 0.00 SOLV H ATOM 30006 OH2 TIP3 9326 36.723 59.094 58.514 1.00 0.00 SOLV O ATOM 30007 H1 TIP3 9326 37.176 58.523 57.857 1.00 0.00 SOLV H ATOM 30008 H2 TIP3 9326 37.446 59.682 58.812 1.00 0.00 SOLV H ATOM 30009 OH2 TIP3 9327 19.598 59.010 61.391 1.00 0.00 SOLV O ATOM 30010 H1 TIP3 9327 18.657 59.200 61.446 1.00 0.00 SOLV H ATOM 30011 H2 TIP3 9327 19.892 59.755 60.820 1.00 0.00 SOLV H ATOM 30012 OH2 TIP3 9328 29.291 58.800 65.988 1.00 0.00 SOLV O ATOM 30013 H1 TIP3 9328 28.696 58.038 66.117 1.00 0.00 SOLV H ATOM 30014 H2 TIP3 9328 30.098 58.365 65.644 1.00 0.00 SOLV H ATOM 30015 OH2 TIP3 9329 34.356 56.759 65.966 1.00 0.00 SOLV O ATOM 30016 H1 TIP3 9329 34.968 57.361 65.488 1.00 0.00 SOLV H ATOM 30017 H2 TIP3 9329 33.503 57.212 65.843 1.00 0.00 SOLV H ATOM 30018 OH2 TIP3 9330 36.062 58.058 64.232 1.00 0.00 SOLV O ATOM 30019 H1 TIP3 9330 36.794 57.470 63.949 1.00 0.00 SOLV H ATOM 30020 H2 TIP3 9330 36.560 58.896 64.369 1.00 0.00 SOLV H ATOM 30021 OH2 TIP3 9331 21.736 57.422 63.665 1.00 0.00 SOLV O ATOM 30022 H1 TIP3 9331 20.824 57.378 63.334 1.00 0.00 SOLV H ATOM 30023 H2 TIP3 9331 22.044 56.500 63.522 1.00 0.00 SOLV H ATOM 30024 OH2 TIP3 9332 20.673 57.227 59.549 1.00 0.00 SOLV O ATOM 30025 H1 TIP3 9332 21.216 57.843 59.020 1.00 0.00 SOLV H ATOM 30026 H2 TIP3 9332 20.312 57.821 60.239 1.00 0.00 SOLV H ATOM 30027 OH2 TIP3 9333 26.392 57.059 63.681 1.00 0.00 SOLV O ATOM 30028 H1 TIP3 9333 27.129 57.512 63.239 1.00 0.00 SOLV H ATOM 30029 H2 TIP3 9333 26.601 57.210 64.620 1.00 0.00 SOLV H ATOM 30030 OH2 TIP3 9334 31.708 57.630 65.102 1.00 0.00 SOLV O ATOM 30031 H1 TIP3 9334 32.010 57.354 64.228 1.00 0.00 SOLV H ATOM 30032 H2 TIP3 9334 31.319 56.779 65.426 1.00 0.00 SOLV H ATOM 30033 OH2 TIP3 9335 33.174 57.629 60.936 1.00 0.00 SOLV O ATOM 30034 H1 TIP3 9335 32.373 58.173 61.070 1.00 0.00 SOLV H ATOM 30035 H2 TIP3 9335 32.806 56.732 61.088 1.00 0.00 SOLV H ATOM 30036 OH2 TIP3 9336 22.507 58.907 57.990 1.00 0.00 SOLV O ATOM 30037 H1 TIP3 9336 23.033 58.378 57.357 1.00 0.00 SOLV H ATOM 30038 H2 TIP3 9336 23.208 59.261 58.575 1.00 0.00 SOLV H ATOM 30039 OH2 TIP3 9337 27.260 59.619 60.493 1.00 0.00 SOLV O ATOM 30040 H1 TIP3 9337 27.649 58.948 61.083 1.00 0.00 SOLV H ATOM 30041 H2 TIP3 9337 27.518 60.433 60.979 1.00 0.00 SOLV H ATOM 30042 OH2 TIP3 9338 49.655 66.730 63.624 1.00 0.00 SOLV O ATOM 30043 H1 TIP3 9338 49.213 67.566 63.820 1.00 0.00 SOLV H ATOM 30044 H2 TIP3 9338 49.089 66.366 62.914 1.00 0.00 SOLV H ATOM 30045 OH2 TIP3 9339 48.728 65.697 67.224 1.00 0.00 SOLV O ATOM 30046 H1 TIP3 9339 48.685 64.911 67.797 1.00 0.00 SOLV H ATOM 30047 H2 TIP3 9339 48.418 65.307 66.390 1.00 0.00 SOLV H ATOM 30048 OH2 TIP3 9340 51.900 68.345 65.768 1.00 0.00 SOLV O ATOM 30049 H1 TIP3 9340 51.643 67.411 65.733 1.00 0.00 SOLV H ATOM 30050 H2 TIP3 9340 52.146 68.402 66.701 1.00 0.00 SOLV H ATOM 30051 OH2 TIP3 9341 38.644 63.349 62.277 1.00 0.00 SOLV O ATOM 30052 H1 TIP3 9341 38.237 64.164 62.620 1.00 0.00 SOLV H ATOM 30053 H2 TIP3 9341 38.018 63.133 61.560 1.00 0.00 SOLV H ATOM 30054 OH2 TIP3 9342 39.237 65.651 64.880 1.00 0.00 SOLV O ATOM 30055 H1 TIP3 9342 39.415 64.720 65.144 1.00 0.00 SOLV H ATOM 30056 H2 TIP3 9342 40.107 65.927 64.567 1.00 0.00 SOLV H ATOM 30057 OH2 TIP3 9343 47.107 67.933 67.709 1.00 0.00 SOLV O ATOM 30058 H1 TIP3 9343 47.610 67.133 67.457 1.00 0.00 SOLV H ATOM 30059 H2 TIP3 9343 47.537 68.161 68.539 1.00 0.00 SOLV H ATOM 30060 OH2 TIP3 9344 56.312 59.823 68.435 1.00 0.00 SOLV O ATOM 30061 H1 TIP3 9344 55.677 60.466 68.094 1.00 0.00 SOLV H ATOM 30062 H2 TIP3 9344 56.992 59.829 67.731 1.00 0.00 SOLV H ATOM 30063 OH2 TIP3 9345 49.727 62.839 67.959 1.00 0.00 SOLV O ATOM 30064 H1 TIP3 9345 50.020 61.905 68.002 1.00 0.00 SOLV H ATOM 30065 H2 TIP3 9345 49.733 62.960 66.988 1.00 0.00 SOLV H ATOM 30066 OH2 TIP3 9346 43.397 60.704 65.083 1.00 0.00 SOLV O ATOM 30067 H1 TIP3 9346 43.629 61.551 64.651 1.00 0.00 SOLV H ATOM 30068 H2 TIP3 9346 42.935 60.248 64.347 1.00 0.00 SOLV H ATOM 30069 OH2 TIP3 9347 51.230 61.141 63.679 1.00 0.00 SOLV O ATOM 30070 H1 TIP3 9347 51.834 60.656 64.282 1.00 0.00 SOLV H ATOM 30071 H2 TIP3 9347 51.758 61.206 62.874 1.00 0.00 SOLV H ATOM 30072 OH2 TIP3 9348 39.877 63.163 65.697 1.00 0.00 SOLV O ATOM 30073 H1 TIP3 9348 40.512 62.693 66.276 1.00 0.00 SOLV H ATOM 30074 H2 TIP3 9348 40.156 62.795 64.831 1.00 0.00 SOLV H ATOM 30075 OH2 TIP3 9349 44.941 64.643 65.281 1.00 0.00 SOLV O ATOM 30076 H1 TIP3 9349 45.780 64.217 65.565 1.00 0.00 SOLV H ATOM 30077 H2 TIP3 9349 44.561 63.943 64.705 1.00 0.00 SOLV H ATOM 30078 OH2 TIP3 9350 52.825 60.213 65.650 1.00 0.00 SOLV O ATOM 30079 H1 TIP3 9350 52.208 59.904 66.328 1.00 0.00 SOLV H ATOM 30080 H2 TIP3 9350 53.287 60.940 66.112 1.00 0.00 SOLV H ATOM 30081 OH2 TIP3 9351 41.626 61.510 66.969 1.00 0.00 SOLV O ATOM 30082 H1 TIP3 9351 42.249 61.808 67.661 1.00 0.00 SOLV H ATOM 30083 H2 TIP3 9351 42.263 61.163 66.304 1.00 0.00 SOLV H ATOM 30084 OH2 TIP3 9352 45.885 56.944 66.481 1.00 0.00 SOLV O ATOM 30085 H1 TIP3 9352 45.552 56.032 66.405 1.00 0.00 SOLV H ATOM 30086 H2 TIP3 9352 45.080 57.383 66.853 1.00 0.00 SOLV H ATOM 30087 OH2 TIP3 9353 48.424 65.930 61.274 1.00 0.00 SOLV O ATOM 30088 H1 TIP3 9353 47.722 66.443 60.824 1.00 0.00 SOLV H ATOM 30089 H2 TIP3 9353 49.123 65.892 60.592 1.00 0.00 SOLV H ATOM 30090 OH2 TIP3 9354 48.361 64.643 57.965 1.00 0.00 SOLV O ATOM 30091 H1 TIP3 9354 49.025 64.873 58.652 1.00 0.00 SOLV H ATOM 30092 H2 TIP3 9354 48.892 63.968 57.484 1.00 0.00 SOLV H ATOM 30093 OH2 TIP3 9355 51.796 65.699 62.129 1.00 0.00 SOLV O ATOM 30094 H1 TIP3 9355 51.119 65.949 62.795 1.00 0.00 SOLV H ATOM 30095 H2 TIP3 9355 52.483 65.284 62.693 1.00 0.00 SOLV H ATOM 30096 OH2 TIP3 9356 43.285 66.593 64.221 1.00 0.00 SOLV O ATOM 30097 H1 TIP3 9356 42.957 66.271 63.352 1.00 0.00 SOLV H ATOM 30098 H2 TIP3 9356 43.867 65.856 64.511 1.00 0.00 SOLV H ATOM 30099 OH2 TIP3 9357 43.649 65.421 67.580 1.00 0.00 SOLV O ATOM 30100 H1 TIP3 9357 44.188 65.315 66.764 1.00 0.00 SOLV H ATOM 30101 H2 TIP3 9357 43.931 66.281 67.933 1.00 0.00 SOLV H ATOM 30102 OH2 TIP3 9358 50.554 65.354 59.658 1.00 0.00 SOLV O ATOM 30103 H1 TIP3 9358 51.090 65.633 60.434 1.00 0.00 SOLV H ATOM 30104 H2 TIP3 9358 51.130 65.673 58.920 1.00 0.00 SOLV H ATOM 30105 OH2 TIP3 9359 54.381 56.864 59.544 1.00 0.00 SOLV O ATOM 30106 H1 TIP3 9359 53.516 57.167 59.887 1.00 0.00 SOLV H ATOM 30107 H2 TIP3 9359 54.782 57.719 59.278 1.00 0.00 SOLV H ATOM 30108 OH2 TIP3 9360 42.198 65.936 61.773 1.00 0.00 SOLV O ATOM 30109 H1 TIP3 9360 41.694 66.427 61.096 1.00 0.00 SOLV H ATOM 30110 H2 TIP3 9360 42.105 65.024 61.476 1.00 0.00 SOLV H ATOM 30111 OH2 TIP3 9361 43.599 58.025 67.497 1.00 0.00 SOLV O ATOM 30112 H1 TIP3 9361 42.690 58.074 67.144 1.00 0.00 SOLV H ATOM 30113 H2 TIP3 9361 43.694 58.873 67.977 1.00 0.00 SOLV H ATOM 30114 OH2 TIP3 9362 52.033 66.025 57.475 1.00 0.00 SOLV O ATOM 30115 H1 TIP3 9362 51.967 66.000 56.502 1.00 0.00 SOLV H ATOM 30116 H2 TIP3 9362 52.927 66.404 57.596 1.00 0.00 SOLV H ATOM 30117 OH2 TIP3 9363 47.712 60.134 58.019 1.00 0.00 SOLV O ATOM 30118 H1 TIP3 9363 47.270 60.066 58.894 1.00 0.00 SOLV H ATOM 30119 H2 TIP3 9363 47.272 59.389 57.564 1.00 0.00 SOLV H ATOM 30120 OH2 TIP3 9364 43.140 62.986 68.742 1.00 0.00 SOLV O ATOM 30121 H1 TIP3 9364 42.245 63.256 69.011 1.00 0.00 SOLV H ATOM 30122 H2 TIP3 9364 43.439 63.804 68.283 1.00 0.00 SOLV H ATOM 30123 OH2 TIP3 9365 43.516 63.014 63.598 1.00 0.00 SOLV O ATOM 30124 H1 TIP3 9365 42.553 62.851 63.489 1.00 0.00 SOLV H ATOM 30125 H2 TIP3 9365 43.852 62.740 62.716 1.00 0.00 SOLV H ATOM 30126 OH2 TIP3 9366 49.252 63.671 62.665 1.00 0.00 SOLV O ATOM 30127 H1 TIP3 9366 48.908 64.389 62.102 1.00 0.00 SOLV H ATOM 30128 H2 TIP3 9366 49.561 63.019 62.015 1.00 0.00 SOLV H ATOM 30129 OH2 TIP3 9367 49.865 62.940 65.170 1.00 0.00 SOLV O ATOM 30130 H1 TIP3 9367 49.579 63.385 64.335 1.00 0.00 SOLV H ATOM 30131 H2 TIP3 9367 50.229 62.130 64.742 1.00 0.00 SOLV H ATOM 30132 OH2 TIP3 9368 44.495 60.609 57.072 1.00 0.00 SOLV O ATOM 30133 H1 TIP3 9368 44.118 60.357 57.941 1.00 0.00 SOLV H ATOM 30134 H2 TIP3 9368 43.752 61.096 56.666 1.00 0.00 SOLV H ATOM 30135 OH2 TIP3 9369 37.789 60.131 64.217 1.00 0.00 SOLV O ATOM 30136 H1 TIP3 9369 38.403 60.224 64.972 1.00 0.00 SOLV H ATOM 30137 H2 TIP3 9369 38.372 59.937 63.468 1.00 0.00 SOLV H ATOM 30138 OH2 TIP3 9370 38.616 60.953 59.536 1.00 0.00 SOLV O ATOM 30139 H1 TIP3 9370 39.342 61.364 59.019 1.00 0.00 SOLV H ATOM 30140 H2 TIP3 9370 38.094 61.751 59.745 1.00 0.00 SOLV H ATOM 30141 OH2 TIP3 9371 46.212 60.844 65.276 1.00 0.00 SOLV O ATOM 30142 H1 TIP3 9371 45.297 60.525 65.220 1.00 0.00 SOLV H ATOM 30143 H2 TIP3 9371 46.729 60.036 65.421 1.00 0.00 SOLV H ATOM 30144 OH2 TIP3 9372 40.903 62.217 63.320 1.00 0.00 SOLV O ATOM 30145 H1 TIP3 9372 40.097 62.506 62.828 1.00 0.00 SOLV H ATOM 30146 H2 TIP3 9372 41.056 61.315 62.980 1.00 0.00 SOLV H ATOM 30147 OH2 TIP3 9373 44.344 62.166 61.102 1.00 0.00 SOLV O ATOM 30148 H1 TIP3 9373 45.036 61.466 61.183 1.00 0.00 SOLV H ATOM 30149 H2 TIP3 9373 44.724 62.731 60.421 1.00 0.00 SOLV H ATOM 30150 OH2 TIP3 9374 50.308 60.113 67.725 1.00 0.00 SOLV O ATOM 30151 H1 TIP3 9374 50.167 59.627 68.547 1.00 0.00 SOLV H ATOM 30152 H2 TIP3 9374 49.633 59.716 67.139 1.00 0.00 SOLV H ATOM 30153 OH2 TIP3 9375 44.102 63.805 58.094 1.00 0.00 SOLV O ATOM 30154 H1 TIP3 9375 43.136 63.910 58.161 1.00 0.00 SOLV H ATOM 30155 H2 TIP3 9375 44.125 62.914 57.711 1.00 0.00 SOLV H ATOM 30156 OH2 TIP3 9376 47.246 63.475 66.271 1.00 0.00 SOLV O ATOM 30157 H1 TIP3 9376 47.750 63.107 65.526 1.00 0.00 SOLV H ATOM 30158 H2 TIP3 9376 47.229 62.698 66.846 1.00 0.00 SOLV H ATOM 30159 OH2 TIP3 9377 42.106 59.603 62.914 1.00 0.00 SOLV O ATOM 30160 H1 TIP3 9377 41.532 58.838 63.146 1.00 0.00 SOLV H ATOM 30161 H2 TIP3 9377 42.730 59.189 62.303 1.00 0.00 SOLV H ATOM 30162 OH2 TIP3 9378 46.283 67.411 60.314 1.00 0.00 SOLV O ATOM 30163 H1 TIP3 9378 45.335 67.288 60.406 1.00 0.00 SOLV H ATOM 30164 H2 TIP3 9378 46.428 67.864 61.168 1.00 0.00 SOLV H ATOM 30165 OH2 TIP3 9379 50.353 60.873 58.402 1.00 0.00 SOLV O ATOM 30166 H1 TIP3 9379 49.400 60.635 58.444 1.00 0.00 SOLV H ATOM 30167 H2 TIP3 9379 50.492 61.338 59.254 1.00 0.00 SOLV H ATOM 30168 OH2 TIP3 9380 51.015 62.615 60.537 1.00 0.00 SOLV O ATOM 30169 H1 TIP3 9380 51.891 62.525 60.959 1.00 0.00 SOLV H ATOM 30170 H2 TIP3 9380 50.995 63.557 60.300 1.00 0.00 SOLV H ATOM 30171 OH2 TIP3 9381 41.616 67.281 66.284 1.00 0.00 SOLV O ATOM 30172 H1 TIP3 9381 42.206 67.097 65.522 1.00 0.00 SOLV H ATOM 30173 H2 TIP3 9381 42.071 66.789 66.985 1.00 0.00 SOLV H ATOM 30174 OH2 TIP3 9382 55.752 63.098 60.152 1.00 0.00 SOLV O ATOM 30175 H1 TIP3 9382 55.295 62.906 59.298 1.00 0.00 SOLV H ATOM 30176 H2 TIP3 9382 55.943 64.046 59.971 1.00 0.00 SOLV H ATOM 30177 OH2 TIP3 9383 51.406 66.186 67.453 1.00 0.00 SOLV O ATOM 30178 H1 TIP3 9383 50.431 66.097 67.362 1.00 0.00 SOLV H ATOM 30179 H2 TIP3 9383 51.719 65.406 66.947 1.00 0.00 SOLV H ATOM 30180 OH2 TIP3 9384 39.956 65.453 58.399 1.00 0.00 SOLV O ATOM 30181 H1 TIP3 9384 40.342 66.237 58.843 1.00 0.00 SOLV H ATOM 30182 H2 TIP3 9384 39.012 65.538 58.681 1.00 0.00 SOLV H ATOM 30183 OH2 TIP3 9385 45.369 67.978 62.824 1.00 0.00 SOLV O ATOM 30184 H1 TIP3 9385 45.213 68.888 63.145 1.00 0.00 SOLV H ATOM 30185 H2 TIP3 9385 44.771 67.474 63.400 1.00 0.00 SOLV H ATOM 30186 OH2 TIP3 9386 52.492 67.800 60.592 1.00 0.00 SOLV O ATOM 30187 H1 TIP3 9386 52.391 67.053 61.214 1.00 0.00 SOLV H ATOM 30188 H2 TIP3 9386 53.453 67.762 60.402 1.00 0.00 SOLV H ATOM 30189 OH2 TIP3 9387 41.066 67.563 59.752 1.00 0.00 SOLV O ATOM 30190 H1 TIP3 9387 40.344 68.241 59.721 1.00 0.00 SOLV H ATOM 30191 H2 TIP3 9387 41.823 68.157 59.733 1.00 0.00 SOLV H ATOM 30192 OH2 TIP3 9388 43.478 59.970 59.508 1.00 0.00 SOLV O ATOM 30193 H1 TIP3 9388 43.433 60.678 60.175 1.00 0.00 SOLV H ATOM 30194 H2 TIP3 9388 44.354 59.589 59.770 1.00 0.00 SOLV H ATOM 30195 OH2 TIP3 9389 52.263 64.053 65.928 1.00 0.00 SOLV O ATOM 30196 H1 TIP3 9389 51.425 63.610 65.669 1.00 0.00 SOLV H ATOM 30197 H2 TIP3 9389 52.726 63.351 66.433 1.00 0.00 SOLV H ATOM 30198 OH2 TIP3 9390 39.948 62.766 57.975 1.00 0.00 SOLV O ATOM 30199 H1 TIP3 9390 39.997 63.710 58.230 1.00 0.00 SOLV H ATOM 30200 H2 TIP3 9390 39.341 62.796 57.224 1.00 0.00 SOLV H ATOM 30201 OH2 TIP3 9391 40.937 57.799 66.387 1.00 0.00 SOLV O ATOM 30202 H1 TIP3 9391 40.913 57.674 65.414 1.00 0.00 SOLV H ATOM 30203 H2 TIP3 9391 40.589 56.938 66.695 1.00 0.00 SOLV H ATOM 30204 OH2 TIP3 9392 54.680 67.004 57.289 1.00 0.00 SOLV O ATOM 30205 H1 TIP3 9392 54.692 66.948 56.313 1.00 0.00 SOLV H ATOM 30206 H2 TIP3 9392 54.908 67.936 57.457 1.00 0.00 SOLV H ATOM 30207 OH2 TIP3 9393 55.294 67.344 60.994 1.00 0.00 SOLV O ATOM 30208 H1 TIP3 9393 55.672 68.233 61.011 1.00 0.00 SOLV H ATOM 30209 H2 TIP3 9393 55.613 66.923 61.822 1.00 0.00 SOLV H ATOM 30210 OH2 TIP3 9394 55.996 65.701 63.078 1.00 0.00 SOLV O ATOM 30211 H1 TIP3 9394 55.162 65.258 63.358 1.00 0.00 SOLV H ATOM 30212 H2 TIP3 9394 56.521 65.720 63.905 1.00 0.00 SOLV H ATOM 30213 OH2 TIP3 9395 55.819 68.816 68.294 1.00 0.00 SOLV O ATOM 30214 H1 TIP3 9395 56.456 68.446 67.673 1.00 0.00 SOLV H ATOM 30215 H2 TIP3 9395 55.576 69.666 67.898 1.00 0.00 SOLV H ATOM 30216 OH2 TIP3 9396 56.153 65.602 59.139 1.00 0.00 SOLV O ATOM 30217 H1 TIP3 9396 55.619 65.932 58.384 1.00 0.00 SOLV H ATOM 30218 H2 TIP3 9396 55.828 66.227 59.828 1.00 0.00 SOLV H ATOM 30219 OH2 TIP3 9397 54.683 62.797 57.670 1.00 0.00 SOLV O ATOM 30220 H1 TIP3 9397 54.390 63.374 56.955 1.00 0.00 SOLV H ATOM 30221 H2 TIP3 9397 54.402 61.926 57.318 1.00 0.00 SOLV H ATOM 30222 OH2 TIP3 9398 53.679 64.320 63.591 1.00 0.00 SOLV O ATOM 30223 H1 TIP3 9398 53.572 63.443 63.171 1.00 0.00 SOLV H ATOM 30224 H2 TIP3 9398 53.221 64.199 64.451 1.00 0.00 SOLV H ATOM 30225 OH2 TIP3 9399 38.478 66.169 67.473 1.00 0.00 SOLV O ATOM 30226 H1 TIP3 9399 38.763 66.133 66.538 1.00 0.00 SOLV H ATOM 30227 H2 TIP3 9399 39.264 66.525 67.908 1.00 0.00 SOLV H ATOM 30228 OH2 TIP3 9400 53.838 60.386 56.664 1.00 0.00 SOLV O ATOM 30229 H1 TIP3 9400 54.188 59.835 57.390 1.00 0.00 SOLV H ATOM 30230 H2 TIP3 9400 52.933 60.044 56.532 1.00 0.00 SOLV H ATOM 30231 OH2 TIP3 9401 53.534 62.026 61.824 1.00 0.00 SOLV O ATOM 30232 H1 TIP3 9401 53.755 61.069 61.896 1.00 0.00 SOLV H ATOM 30233 H2 TIP3 9401 54.303 62.343 61.316 1.00 0.00 SOLV H ATOM 30234 OH2 TIP3 9402 53.866 62.170 67.241 1.00 0.00 SOLV O ATOM 30235 H1 TIP3 9402 54.772 62.530 67.335 1.00 0.00 SOLV H ATOM 30236 H2 TIP3 9402 53.773 61.586 68.028 1.00 0.00 SOLV H ATOM 30237 OH2 TIP3 9403 54.062 59.301 61.921 1.00 0.00 SOLV O ATOM 30238 H1 TIP3 9403 54.241 58.882 62.789 1.00 0.00 SOLV H ATOM 30239 H2 TIP3 9403 53.367 58.703 61.575 1.00 0.00 SOLV H ATOM 30240 OH2 TIP3 9404 39.372 60.035 66.507 1.00 0.00 SOLV O ATOM 30241 H1 TIP3 9404 39.860 59.184 66.497 1.00 0.00 SOLV H ATOM 30242 H2 TIP3 9404 40.113 60.642 66.710 1.00 0.00 SOLV H ATOM 30243 OH2 TIP3 9405 37.644 63.198 67.469 1.00 0.00 SOLV O ATOM 30244 H1 TIP3 9405 38.338 63.047 66.797 1.00 0.00 SOLV H ATOM 30245 H2 TIP3 9405 37.800 64.135 67.681 1.00 0.00 SOLV H ATOM 30246 OH2 TIP3 9406 55.592 59.102 58.518 1.00 0.00 SOLV O ATOM 30247 H1 TIP3 9406 56.052 58.529 57.869 1.00 0.00 SOLV H ATOM 30248 H2 TIP3 9406 56.312 59.687 58.827 1.00 0.00 SOLV H ATOM 30249 OH2 TIP3 9407 38.214 59.089 61.464 1.00 0.00 SOLV O ATOM 30250 H1 TIP3 9407 37.244 59.124 61.540 1.00 0.00 SOLV H ATOM 30251 H2 TIP3 9407 38.391 59.828 60.844 1.00 0.00 SOLV H ATOM 30252 OH2 TIP3 9408 48.163 58.789 66.252 1.00 0.00 SOLV O ATOM 30253 H1 TIP3 9408 47.502 58.076 66.216 1.00 0.00 SOLV H ATOM 30254 H2 TIP3 9408 48.891 58.437 65.707 1.00 0.00 SOLV H ATOM 30255 OH2 TIP3 9409 53.228 56.749 65.960 1.00 0.00 SOLV O ATOM 30256 H1 TIP3 9409 53.846 57.360 65.504 1.00 0.00 SOLV H ATOM 30257 H2 TIP3 9409 52.381 57.214 65.830 1.00 0.00 SOLV H ATOM 30258 OH2 TIP3 9410 54.942 58.034 64.214 1.00 0.00 SOLV O ATOM 30259 H1 TIP3 9410 55.694 57.475 63.928 1.00 0.00 SOLV H ATOM 30260 H2 TIP3 9410 55.408 58.885 64.381 1.00 0.00 SOLV H ATOM 30261 OH2 TIP3 9411 40.594 57.418 63.641 1.00 0.00 SOLV O ATOM 30262 H1 TIP3 9411 39.651 57.269 63.410 1.00 0.00 SOLV H ATOM 30263 H2 TIP3 9411 40.945 56.513 63.502 1.00 0.00 SOLV H ATOM 30264 OH2 TIP3 9412 39.392 57.286 59.626 1.00 0.00 SOLV O ATOM 30265 H1 TIP3 9412 39.927 57.918 59.118 1.00 0.00 SOLV H ATOM 30266 H2 TIP3 9412 39.027 57.854 60.338 1.00 0.00 SOLV H ATOM 30267 OH2 TIP3 9413 45.094 57.136 63.652 1.00 0.00 SOLV O ATOM 30268 H1 TIP3 9413 45.417 57.879 63.118 1.00 0.00 SOLV H ATOM 30269 H2 TIP3 9413 45.489 57.293 64.525 1.00 0.00 SOLV H ATOM 30270 OH2 TIP3 9414 50.626 57.665 65.132 1.00 0.00 SOLV O ATOM 30271 H1 TIP3 9414 50.848 57.463 64.215 1.00 0.00 SOLV H ATOM 30272 H2 TIP3 9414 50.217 56.813 65.413 1.00 0.00 SOLV H ATOM 30273 OH2 TIP3 9415 52.071 57.603 60.889 1.00 0.00 SOLV O ATOM 30274 H1 TIP3 9415 51.247 58.037 60.634 1.00 0.00 SOLV H ATOM 30275 H2 TIP3 9415 51.735 56.715 61.141 1.00 0.00 SOLV H ATOM 30276 OH2 TIP3 9416 41.441 59.021 57.939 1.00 0.00 SOLV O ATOM 30277 H1 TIP3 9416 41.944 58.408 57.366 1.00 0.00 SOLV H ATOM 30278 H2 TIP3 9416 42.132 59.298 58.581 1.00 0.00 SOLV H ATOM 30279 OH2 TIP3 9417 68.022 66.177 63.303 1.00 0.00 SOLV O ATOM 30280 H1 TIP3 9417 68.250 66.916 63.883 1.00 0.00 SOLV H ATOM 30281 H2 TIP3 9417 67.530 66.606 62.596 1.00 0.00 SOLV H ATOM 30282 OH2 TIP3 9418 67.175 65.852 67.068 1.00 0.00 SOLV O ATOM 30283 H1 TIP3 9418 67.951 65.345 67.366 1.00 0.00 SOLV H ATOM 30284 H2 TIP3 9418 66.926 65.371 66.266 1.00 0.00 SOLV H ATOM 30285 OH2 TIP3 9419 57.507 63.373 62.284 1.00 0.00 SOLV O ATOM 30286 H1 TIP3 9419 57.072 64.180 62.610 1.00 0.00 SOLV H ATOM 30287 H2 TIP3 9419 56.891 63.123 61.571 1.00 0.00 SOLV H ATOM 30288 OH2 TIP3 9420 58.046 65.640 64.895 1.00 0.00 SOLV O ATOM 30289 H1 TIP3 9420 58.253 64.713 65.152 1.00 0.00 SOLV H ATOM 30290 H2 TIP3 9420 58.906 65.948 64.585 1.00 0.00 SOLV H ATOM 30291 OH2 TIP3 9421 65.810 68.054 67.929 1.00 0.00 SOLV O ATOM 30292 H1 TIP3 9421 66.213 67.204 67.632 1.00 0.00 SOLV H ATOM 30293 H2 TIP3 9421 66.471 68.350 68.565 1.00 0.00 SOLV H ATOM 30294 OH2 TIP3 9422 68.802 61.418 68.536 1.00 0.00 SOLV O ATOM 30295 H1 TIP3 9422 69.058 60.867 67.771 1.00 0.00 SOLV H ATOM 30296 H2 TIP3 9422 68.956 62.313 68.186 1.00 0.00 SOLV H ATOM 30297 OH2 TIP3 9423 62.383 60.730 65.043 1.00 0.00 SOLV O ATOM 30298 H1 TIP3 9423 62.478 61.592 64.587 1.00 0.00 SOLV H ATOM 30299 H2 TIP3 9423 61.916 60.217 64.347 1.00 0.00 SOLV H ATOM 30300 OH2 TIP3 9424 58.740 63.164 65.727 1.00 0.00 SOLV O ATOM 30301 H1 TIP3 9424 59.388 62.677 66.275 1.00 0.00 SOLV H ATOM 30302 H2 TIP3 9424 58.978 62.791 64.850 1.00 0.00 SOLV H ATOM 30303 OH2 TIP3 9425 63.755 64.631 65.249 1.00 0.00 SOLV O ATOM 30304 H1 TIP3 9425 64.528 64.103 65.562 1.00 0.00 SOLV H ATOM 30305 H2 TIP3 9425 63.331 63.977 64.649 1.00 0.00 SOLV H ATOM 30306 OH2 TIP3 9426 60.542 61.477 66.894 1.00 0.00 SOLV O ATOM 30307 H1 TIP3 9426 61.130 61.786 67.613 1.00 0.00 SOLV H ATOM 30308 H2 TIP3 9426 61.211 61.138 66.258 1.00 0.00 SOLV H ATOM 30309 OH2 TIP3 9427 64.780 56.767 66.757 1.00 0.00 SOLV O ATOM 30310 H1 TIP3 9427 64.467 55.855 66.592 1.00 0.00 SOLV H ATOM 30311 H2 TIP3 9427 63.935 57.196 67.042 1.00 0.00 SOLV H ATOM 30312 OH2 TIP3 9428 67.395 65.830 60.342 1.00 0.00 SOLV O ATOM 30313 H1 TIP3 9428 66.548 66.338 60.381 1.00 0.00 SOLV H ATOM 30314 H2 TIP3 9428 68.015 66.566 60.280 1.00 0.00 SOLV H ATOM 30315 OH2 TIP3 9429 67.194 64.394 57.807 1.00 0.00 SOLV O ATOM 30316 H1 TIP3 9429 67.330 64.714 58.721 1.00 0.00 SOLV H ATOM 30317 H2 TIP3 9429 67.600 63.516 57.814 1.00 0.00 SOLV H ATOM 30318 OH2 TIP3 9430 62.032 66.515 64.163 1.00 0.00 SOLV O ATOM 30319 H1 TIP3 9430 61.841 66.206 63.251 1.00 0.00 SOLV H ATOM 30320 H2 TIP3 9430 62.659 65.830 64.482 1.00 0.00 SOLV H ATOM 30321 OH2 TIP3 9431 62.574 65.460 67.560 1.00 0.00 SOLV O ATOM 30322 H1 TIP3 9431 63.054 65.264 66.723 1.00 0.00 SOLV H ATOM 30323 H2 TIP3 9431 62.982 66.288 67.848 1.00 0.00 SOLV H ATOM 30324 OH2 TIP3 9432 61.250 65.830 61.559 1.00 0.00 SOLV O ATOM 30325 H1 TIP3 9432 60.713 66.435 61.003 1.00 0.00 SOLV H ATOM 30326 H2 TIP3 9432 60.874 64.970 61.336 1.00 0.00 SOLV H ATOM 30327 OH2 TIP3 9433 62.488 58.010 67.441 1.00 0.00 SOLV O ATOM 30328 H1 TIP3 9433 61.568 58.044 67.113 1.00 0.00 SOLV H ATOM 30329 H2 TIP3 9433 62.589 58.865 67.905 1.00 0.00 SOLV H ATOM 30330 OH2 TIP3 9434 66.617 59.963 58.250 1.00 0.00 SOLV O ATOM 30331 H1 TIP3 9434 66.029 59.852 59.021 1.00 0.00 SOLV H ATOM 30332 H2 TIP3 9434 66.164 59.371 57.619 1.00 0.00 SOLV H ATOM 30333 OH2 TIP3 9435 61.977 62.985 68.706 1.00 0.00 SOLV O ATOM 30334 H1 TIP3 9435 61.090 63.282 68.971 1.00 0.00 SOLV H ATOM 30335 H2 TIP3 9435 62.325 63.801 68.288 1.00 0.00 SOLV H ATOM 30336 OH2 TIP3 9436 62.301 63.042 63.601 1.00 0.00 SOLV O ATOM 30337 H1 TIP3 9436 61.329 62.901 63.566 1.00 0.00 SOLV H ATOM 30338 H2 TIP3 9436 62.530 62.773 62.684 1.00 0.00 SOLV H ATOM 30339 OH2 TIP3 9437 67.540 63.449 62.043 1.00 0.00 SOLV O ATOM 30340 H1 TIP3 9437 67.313 64.370 62.265 1.00 0.00 SOLV H ATOM 30341 H2 TIP3 9437 67.532 63.487 61.077 1.00 0.00 SOLV H ATOM 30342 OH2 TIP3 9438 68.161 62.684 65.025 1.00 0.00 SOLV O ATOM 30343 H1 TIP3 9438 68.421 63.320 64.351 1.00 0.00 SOLV H ATOM 30344 H2 TIP3 9438 68.572 61.866 64.671 1.00 0.00 SOLV H ATOM 30345 OH2 TIP3 9439 63.392 60.573 57.051 1.00 0.00 SOLV O ATOM 30346 H1 TIP3 9439 62.989 60.395 57.925 1.00 0.00 SOLV H ATOM 30347 H2 TIP3 9439 62.782 61.261 56.715 1.00 0.00 SOLV H ATOM 30348 OH2 TIP3 9440 56.648 60.135 64.217 1.00 0.00 SOLV O ATOM 30349 H1 TIP3 9440 57.276 60.209 64.961 1.00 0.00 SOLV H ATOM 30350 H2 TIP3 9440 57.209 59.916 63.458 1.00 0.00 SOLV H ATOM 30351 OH2 TIP3 9441 57.481 60.949 59.547 1.00 0.00 SOLV O ATOM 30352 H1 TIP3 9441 58.182 61.363 58.999 1.00 0.00 SOLV H ATOM 30353 H2 TIP3 9441 56.955 61.745 59.760 1.00 0.00 SOLV H ATOM 30354 OH2 TIP3 9442 65.066 60.528 64.476 1.00 0.00 SOLV O ATOM 30355 H1 TIP3 9442 64.186 60.499 64.904 1.00 0.00 SOLV H ATOM 30356 H2 TIP3 9442 65.611 60.009 65.106 1.00 0.00 SOLV H ATOM 30357 OH2 TIP3 9443 59.728 62.219 63.357 1.00 0.00 SOLV O ATOM 30358 H1 TIP3 9443 58.942 62.521 62.841 1.00 0.00 SOLV H ATOM 30359 H2 TIP3 9443 59.899 61.329 62.994 1.00 0.00 SOLV H ATOM 30360 OH2 TIP3 9444 62.761 62.172 61.072 1.00 0.00 SOLV O ATOM 30361 H1 TIP3 9444 63.730 62.115 61.213 1.00 0.00 SOLV H ATOM 30362 H2 TIP3 9444 62.685 62.645 60.210 1.00 0.00 SOLV H ATOM 30363 OH2 TIP3 9445 62.406 63.315 58.636 1.00 0.00 SOLV O ATOM 30364 H1 TIP3 9445 61.808 63.070 57.908 1.00 0.00 SOLV H ATOM 30365 H2 TIP3 9445 63.147 63.715 58.136 1.00 0.00 SOLV H ATOM 30366 OH2 TIP3 9446 65.785 63.151 66.229 1.00 0.00 SOLV O ATOM 30367 H1 TIP3 9446 66.547 62.887 65.668 1.00 0.00 SOLV H ATOM 30368 H2 TIP3 9446 66.005 62.692 67.045 1.00 0.00 SOLV H ATOM 30369 OH2 TIP3 9447 60.949 59.579 62.978 1.00 0.00 SOLV O ATOM 30370 H1 TIP3 9447 60.351 58.842 63.241 1.00 0.00 SOLV H ATOM 30371 H2 TIP3 9447 61.457 59.151 62.278 1.00 0.00 SOLV H ATOM 30372 OH2 TIP3 9448 65.351 67.554 60.450 1.00 0.00 SOLV O ATOM 30373 H1 TIP3 9448 64.545 67.427 59.912 1.00 0.00 SOLV H ATOM 30374 H2 TIP3 9448 64.949 67.760 61.325 1.00 0.00 SOLV H ATOM 30375 OH2 TIP3 9449 60.489 67.263 66.326 1.00 0.00 SOLV O ATOM 30376 H1 TIP3 9449 61.011 67.077 65.516 1.00 0.00 SOLV H ATOM 30377 H2 TIP3 9449 60.979 66.741 66.978 1.00 0.00 SOLV H ATOM 30378 OH2 TIP3 9450 58.772 65.456 58.381 1.00 0.00 SOLV O ATOM 30379 H1 TIP3 9450 59.181 66.209 58.860 1.00 0.00 SOLV H ATOM 30380 H2 TIP3 9450 57.838 65.537 58.688 1.00 0.00 SOLV H ATOM 30381 OH2 TIP3 9451 64.231 67.867 62.900 1.00 0.00 SOLV O ATOM 30382 H1 TIP3 9451 64.120 68.811 63.138 1.00 0.00 SOLV H ATOM 30383 H2 TIP3 9451 63.540 67.458 63.443 1.00 0.00 SOLV H ATOM 30384 OH2 TIP3 9452 59.957 67.516 59.756 1.00 0.00 SOLV O ATOM 30385 H1 TIP3 9452 59.356 68.302 59.772 1.00 0.00 SOLV H ATOM 30386 H2 TIP3 9452 60.701 67.877 59.256 1.00 0.00 SOLV H ATOM 30387 OH2 TIP3 9453 67.983 60.329 61.314 1.00 0.00 SOLV O ATOM 30388 H1 TIP3 9453 68.158 60.501 60.377 1.00 0.00 SOLV H ATOM 30389 H2 TIP3 9453 68.567 60.972 61.746 1.00 0.00 SOLV H ATOM 30390 OH2 TIP3 9454 65.290 61.763 62.078 1.00 0.00 SOLV O ATOM 30391 H1 TIP3 9454 66.115 62.259 62.245 1.00 0.00 SOLV H ATOM 30392 H2 TIP3 9454 65.151 61.353 62.966 1.00 0.00 SOLV H ATOM 30393 OH2 TIP3 9455 66.357 58.610 62.641 1.00 0.00 SOLV O ATOM 30394 H1 TIP3 9455 66.261 59.056 63.505 1.00 0.00 SOLV H ATOM 30395 H2 TIP3 9455 66.906 59.284 62.172 1.00 0.00 SOLV H ATOM 30396 OH2 TIP3 9456 62.366 59.920 59.525 1.00 0.00 SOLV O ATOM 30397 H1 TIP3 9456 62.281 60.680 60.139 1.00 0.00 SOLV H ATOM 30398 H2 TIP3 9456 63.253 59.592 59.791 1.00 0.00 SOLV H ATOM 30399 OH2 TIP3 9457 58.733 62.760 57.927 1.00 0.00 SOLV O ATOM 30400 H1 TIP3 9457 58.904 63.679 58.218 1.00 0.00 SOLV H ATOM 30401 H2 TIP3 9457 58.100 62.902 57.213 1.00 0.00 SOLV H ATOM 30402 OH2 TIP3 9458 59.808 57.779 66.386 1.00 0.00 SOLV O ATOM 30403 H1 TIP3 9458 59.767 57.649 65.415 1.00 0.00 SOLV H ATOM 30404 H2 TIP3 9458 59.457 56.921 66.702 1.00 0.00 SOLV H ATOM 30405 OH2 TIP3 9459 62.197 67.800 57.123 1.00 0.00 SOLV O ATOM 30406 H1 TIP3 9459 62.518 67.319 57.917 1.00 0.00 SOLV H ATOM 30407 H2 TIP3 9459 63.008 67.796 56.566 1.00 0.00 SOLV H ATOM 30408 OH2 TIP3 9460 63.135 66.416 59.249 1.00 0.00 SOLV O ATOM 30409 H1 TIP3 9460 62.709 65.955 59.991 1.00 0.00 SOLV H ATOM 30410 H2 TIP3 9460 63.580 65.684 58.770 1.00 0.00 SOLV H ATOM 30411 OH2 TIP3 9461 64.498 64.689 57.541 1.00 0.00 SOLV O ATOM 30412 H1 TIP3 9461 64.504 64.943 56.592 1.00 0.00 SOLV H ATOM 30413 H2 TIP3 9461 65.459 64.548 57.671 1.00 0.00 SOLV H ATOM 30414 OH2 TIP3 9462 57.353 66.218 67.474 1.00 0.00 SOLV O ATOM 30415 H1 TIP3 9462 57.564 66.130 66.522 1.00 0.00 SOLV H ATOM 30416 H2 TIP3 9462 58.193 66.538 67.828 1.00 0.00 SOLV H ATOM 30417 OH2 TIP3 9463 58.250 60.029 66.501 1.00 0.00 SOLV O ATOM 30418 H1 TIP3 9463 58.716 59.165 66.499 1.00 0.00 SOLV H ATOM 30419 H2 TIP3 9463 59.014 60.619 66.667 1.00 0.00 SOLV H ATOM 30420 OH2 TIP3 9464 56.490 63.230 67.482 1.00 0.00 SOLV O ATOM 30421 H1 TIP3 9464 57.181 63.038 66.818 1.00 0.00 SOLV H ATOM 30422 H2 TIP3 9464 56.677 64.164 67.673 1.00 0.00 SOLV H ATOM 30423 OH2 TIP3 9465 57.068 59.098 61.485 1.00 0.00 SOLV O ATOM 30424 H1 TIP3 9465 56.098 59.132 61.558 1.00 0.00 SOLV H ATOM 30425 H2 TIP3 9465 57.247 59.833 60.861 1.00 0.00 SOLV H ATOM 30426 OH2 TIP3 9466 66.564 58.671 65.717 1.00 0.00 SOLV O ATOM 30427 H1 TIP3 9466 65.994 58.022 66.173 1.00 0.00 SOLV H ATOM 30428 H2 TIP3 9466 67.427 58.245 65.785 1.00 0.00 SOLV H ATOM 30429 OH2 TIP3 9467 59.444 57.412 63.651 1.00 0.00 SOLV O ATOM 30430 H1 TIP3 9467 58.503 57.257 63.407 1.00 0.00 SOLV H ATOM 30431 H2 TIP3 9467 59.800 56.509 63.509 1.00 0.00 SOLV H ATOM 30432 OH2 TIP3 9468 58.260 57.299 59.618 1.00 0.00 SOLV O ATOM 30433 H1 TIP3 9468 58.785 57.933 59.100 1.00 0.00 SOLV H ATOM 30434 H2 TIP3 9468 57.901 57.864 60.332 1.00 0.00 SOLV H ATOM 30435 OH2 TIP3 9469 64.008 57.061 63.669 1.00 0.00 SOLV O ATOM 30436 H1 TIP3 9469 64.837 57.396 63.291 1.00 0.00 SOLV H ATOM 30437 H2 TIP3 9469 64.096 57.300 64.600 1.00 0.00 SOLV H ATOM 30438 OH2 TIP3 9470 60.243 59.003 57.929 1.00 0.00 SOLV O ATOM 30439 H1 TIP3 9470 60.760 58.413 57.347 1.00 0.00 SOLV H ATOM 30440 H2 TIP3 9470 60.932 59.309 58.556 1.00 0.00 SOLV H ATOM 30441 OH2 TIP3 9471 64.950 59.580 60.416 1.00 0.00 SOLV O ATOM 30442 H1 TIP3 9471 65.270 58.872 61.004 1.00 0.00 SOLV H ATOM 30443 H2 TIP3 9471 65.145 60.364 60.973 1.00 0.00 SOLV H TER If you find results from this site helpful for your research, please cite one of our papers:
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