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*** ***elNémo ID: 2403061340131909106Job options:ID = 2403061340131909106 JOBID = 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:CRYST1 48.316 52.389 44.491 90.00 90.00 90.00 P 1 1 ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 0.00 AP1 N ATOM 2 HT1 LYS A 1 36.123 22.870 -12.362 1.00 0.00 AP1 H ATOM 3 HT2 LYS A 1 34.925 22.859 -11.246 1.00 0.00 AP1 H ATOM 4 HT3 LYS A 1 34.700 22.133 -12.697 1.00 0.00 AP1 H ATOM 5 CA LYS A 1 35.892 21.073 -11.427 1.00 0.00 AP1 C ATOM 6 HA LYS A 1 36.309 20.499 -12.245 1.00 0.00 AP1 ATOM 7 CB LYS A 1 36.872 21.435 -10.306 1.00 0.00 AP1 C ATOM 8 HB1 LYS A 1 37.705 22.011 -10.772 1.00 0.00 AP1 ATOM 9 HB2 LYS A 1 36.370 22.130 -9.596 1.00 0.00 AP1 ATOM 10 CG LYS A 1 37.453 20.248 -9.565 1.00 0.00 AP1 C ATOM 11 HG1 LYS A 1 36.684 19.840 -8.870 1.00 0.00 AP1 ATOM 12 HG2 LYS A 1 37.696 19.446 -10.299 1.00 0.00 AP1 ATOM 13 CD LYS A 1 38.688 20.649 -8.775 1.00 0.00 AP1 C ATOM 14 HD1 LYS A 1 39.505 20.885 -9.495 1.00 0.00 AP1 ATOM 15 HD2 LYS A 1 38.454 21.585 -8.218 1.00 0.00 AP1 ATOM 16 CE LYS A 1 39.057 19.508 -7.837 1.00 0.00 AP1 C ATOM 17 HE1 LYS A 1 38.331 19.445 -6.996 1.00 0.00 AP1 ATOM 18 HE2 LYS A 1 39.051 18.538 -8.381 1.00 0.00 AP1 ATOM 19 NZ LYS A 1 40.423 19.771 -7.299 1.00 0.00 AP1 N ATOM 20 HZ1 LYS A 1 40.704 19.007 -6.651 1.00 0.00 AP1 H ATOM 21 HZ2 LYS A 1 41.102 19.824 -8.086 1.00 0.00 AP1 H ATOM 22 HZ3 LYS A 1 40.424 20.675 -6.785 1.00 0.00 AP1 H ATOM 23 C LYS A 1 34.741 20.264 -10.844 1.00 0.00 AP1 C ATOM 24 O LYS A 1 33.945 20.813 -10.081 1.00 0.00 AP1 O ATOM 25 N VAL A 2 34.739 18.961 -11.042 1.00 0.00 AP1 N ATOM 26 HN VAL A 2 35.344 18.558 -11.724 1.00 0.00 AP1 H ATOM 27 CA VAL A 2 33.903 17.998 -10.333 1.00 0.00 AP1 C ATOM 28 HA VAL A 2 33.126 18.526 -9.794 1.00 0.00 AP1 ATOM 29 CB VAL A 2 33.140 17.034 -11.232 1.00 0.00 AP1 C ATOM 30 HB VAL A 2 33.893 16.427 -11.792 1.00 0.00 AP1 ATOM 31 CG1 VAL A 2 32.251 16.084 -10.434 1.00 0.00 AP1 C ATOM 32 HG11 VAL A 2 31.680 15.422 -11.120 1.00 0.00 AP1 ATOM 33 HG12 VAL A 2 32.847 15.430 -9.764 1.00 0.00 AP1 ATOM 34 HG13 VAL A 2 31.521 16.653 -9.819 1.00 0.00 AP1 ATOM 35 CG2 VAL A 2 32.294 17.714 -12.290 1.00 0.00 AP1 C ATOM 36 HG21 VAL A 2 31.733 16.964 -12.886 1.00 0.00 AP1 ATOM 37 HG22 VAL A 2 31.562 18.405 -11.819 1.00 0.00 AP1 ATOM 38 HG23 VAL A 2 32.923 18.298 -12.993 1.00 0.00 AP1 ATOM 39 C VAL A 2 34.800 17.312 -9.294 1.00 0.00 AP1 C ATOM 40 O VAL A 2 35.759 16.605 -9.665 1.00 0.00 AP1 O ATOM 41 N PHE A 3 34.491 17.546 -8.038 1.00 0.00 AP1 N ATOM 42 HN PHE A 3 33.765 18.176 -7.768 1.00 0.00 AP1 H ATOM 43 CA PHE A 3 35.185 16.903 -6.918 1.00 0.00 AP1 C ATOM 44 HA PHE A 3 36.237 16.892 -7.175 1.00 0.00 AP1 ATOM 45 CB PHE A 3 34.967 17.632 -5.594 1.00 0.00 AP1 C ATOM 46 HB1 PHE A 3 33.957 18.097 -5.597 1.00 0.00 AP1 ATOM 47 HB2 PHE A 3 35.000 16.925 -4.738 1.00 0.00 AP1 ATOM 48 CG PHE A 3 35.944 18.737 -5.375 1.00 0.00 AP1 C ATOM 49 CD1 PHE A 3 35.666 20.050 -5.798 1.00 0.00 AP1 C ATOM 50 HD1 PHE A 3 34.738 20.262 -6.311 1.00 0.00 AP1 H ATOM 51 CE1 PHE A 3 36.577 21.076 -5.568 1.00 0.00 AP1 C ATOM 52 HE1 PHE A 3 36.465 22.023 -6.077 1.00 0.00 AP1 H ATOM 53 CZ PHE A 3 37.636 20.873 -4.666 1.00 0.00 AP1 C ATOM 54 HZ PHE A 3 38.263 21.698 -4.358 1.00 0.00 AP1 H ATOM 55 CD2 PHE A 3 37.000 18.557 -4.473 1.00 0.00 AP1 C ATOM 56 HD2 PHE A 3 37.165 17.589 -4.021 1.00 0.00 AP1 H ATOM 57 CE2 PHE A 3 37.869 19.589 -4.157 1.00 0.00 AP1 C ATOM 58 HE2 PHE A 3 38.722 19.399 -3.521 1.00 0.00 AP1 H ATOM 59 C PHE A 3 34.742 15.441 -6.771 1.00 0.00 AP1 C ATOM 60 O PHE A 3 33.525 15.162 -6.862 1.00 0.00 AP1 O ATOM 61 N GLY A 4 35.724 14.639 -6.331 1.00 0.00 AP1 N ATOM 62 HN GLY A 4 36.695 14.870 -6.281 1.00 0.00 AP1 H ATOM 63 CA GLY A 4 35.366 13.280 -5.870 1.00 0.00 AP1 C ATOM 64 HA1 GLY A 4 36.239 12.643 -5.895 1.00 0.00 AP1 ATOM 65 HA2 GLY A 4 34.526 12.905 -6.439 1.00 0.00 AP1 ATOM 66 C GLY A 4 34.924 13.420 -4.415 1.00 0.00 AP1 C ATOM 67 O GLY A 4 35.303 14.403 -3.781 1.00 0.00 AP1 O ATOM 68 N ARG A 5 34.053 12.538 -3.973 1.00 0.00 AP1 N ATOM 69 HN ARG A 5 33.691 11.830 -4.575 1.00 0.00 AP1 H ATOM 70 CA ARG A 5 33.565 12.538 -2.588 1.00 0.00 AP1 C ATOM 71 HA ARG A 5 32.890 13.379 -2.484 1.00 0.00 AP1 ATOM 72 CB ARG A 5 32.765 11.262 -2.331 1.00 0.00 AP1 C ATOM 73 HB1 ARG A 5 31.924 11.264 -3.065 1.00 0.00 AP1 ATOM 74 HB2 ARG A 5 33.388 10.375 -2.582 1.00 0.00 AP1 ATOM 75 CG ARG A 5 32.213 11.203 -0.920 1.00 0.00 AP1 C ATOM 76 HG1 ARG A 5 33.062 11.268 -0.205 1.00 0.00 AP1 ATOM 77 HG2 ARG A 5 31.596 12.112 -0.734 1.00 0.00 AP1 ATOM 78 CD ARG A 5 31.375 10.001 -0.722 1.00 0.00 AP1 C ATOM 79 HD1 ARG A 5 30.995 9.983 0.325 1.00 0.00 AP1 ATOM 80 HD2 ARG A 5 30.504 9.990 -1.418 1.00 0.00 AP1 ATOM 81 NE ARG A 5 32.059 8.749 -0.958 1.00 0.00 AP1 N ATOM 82 HE ARG A 5 31.989 8.434 -1.911 1.00 0.00 AP1 H ATOM 83 CZ ARG A 5 32.733 8.011 -0.097 1.00 0.00 AP1 C ATOM 84 NH1 ARG A 5 32.836 8.332 1.187 1.00 0.00 AP1 N ATOM 85 HH11 ARG A 5 33.370 7.772 1.805 1.00 0.00 AP1 H ATOM 86 HH12 ARG A 5 32.467 9.225 1.452 1.00 0.00 AP1 H ATOM 87 NH2 ARG A 5 33.245 6.836 -0.526 1.00 0.00 AP1 N ATOM 88 HH21 ARG A 5 33.679 6.222 0.118 1.00 0.00 AP1 H ATOM 89 HH22 ARG A 5 32.981 6.537 -1.434 1.00 0.00 AP1 H ATOM 90 C ARG A 5 34.665 12.734 -1.556 1.00 0.00 AP1 C ATOM 91 O ARG A 5 34.669 13.651 -0.704 1.00 0.00 AP1 O ATOM 92 N CYS A 6 35.674 11.853 -1.612 1.00 0.00 AP1 N ATOM 93 HN CYS A 6 35.732 11.137 -2.305 1.00 0.00 AP1 H ATOM 94 CA CYS A 6 36.781 11.870 -0.654 1.00 0.00 AP1 C ATOM 95 HA CYS A 6 36.299 11.938 0.314 1.00 0.00 AP1 ATOM 96 CB CYS A 6 37.491 10.532 -0.621 1.00 0.00 AP1 C ATOM 97 HB1 CYS A 6 37.704 10.245 -1.676 1.00 0.00 AP1 ATOM 98 HB2 CYS A 6 38.481 10.643 -0.127 1.00 0.00 AP1 ATOM 99 SG CYS A 6 36.540 9.205 0.140 1.00 0.00 AP1 S ATOM 100 C CYS A 6 37.747 13.050 -0.777 1.00 0.00 AP1 C ATOM 101 O CYS A 6 38.148 13.609 0.264 1.00 0.00 AP1 O ATOM 102 N GLU A 7 37.861 13.481 -2.019 1.00 0.00 AP1 N ATOM 103 HN GLU A 7 37.439 13.074 -2.824 1.00 0.00 AP1 H ATOM 104 CA GLU A 7 38.685 14.686 -2.311 1.00 0.00 AP1 C ATOM 105 HA GLU A 7 39.663 14.555 -1.866 1.00 0.00 AP1 ATOM 106 CB GLU A 7 38.784 14.846 -3.818 1.00 0.00 AP1 C ATOM 107 HB1 GLU A 7 39.284 13.940 -4.231 1.00 0.00 AP1 ATOM 108 HB2 GLU A 7 37.764 14.862 -4.264 1.00 0.00 AP1 ATOM 109 CG GLU A 7 39.540 16.051 -4.379 1.00 0.00 AP1 C ATOM 110 HG1 GLU A 7 39.065 16.983 -4.023 1.00 0.00 AP1 ATOM 111 HG2 GLU A 7 40.601 16.038 -4.060 1.00 0.00 AP1 ATOM 112 CD GLU A 7 39.576 16.242 -5.870 1.00 0.00 AP1 C ATOM 113 OE1 GLU A 7 38.672 15.644 -6.491 1.00 0.00 AP1 O ATOM 114 OE2 GLU A 7 40.415 16.953 -6.381 1.00 0.00 AP1 O ATOM 115 C GLU A 7 38.049 15.926 -1.658 1.00 0.00 AP1 C ATOM 116 O GLU A 7 38.744 16.729 -1.011 1.00 0.00 AP1 O ATOM 117 N LEU A 8 36.743 16.049 -1.819 1.00 0.00 AP1 N ATOM 118 HN LEU A 8 36.202 15.390 -2.338 1.00 0.00 AP1 H ATOM 119 CA LEU A 8 35.964 17.158 -1.255 1.00 0.00 AP1 C ATOM 120 HA LEU A 8 36.423 18.078 -1.593 1.00 0.00 AP1 ATOM 121 CB LEU A 8 34.528 17.172 -1.811 1.00 0.00 AP1 C ATOM 122 HB1 LEU A 8 34.606 17.213 -2.922 1.00 0.00 AP1 ATOM 123 HB2 LEU A 8 34.038 16.202 -1.572 1.00 0.00 AP1 ATOM 124 CG LEU A 8 33.718 18.354 -1.305 1.00 0.00 AP1 C ATOM 125 HG LEU A 8 33.854 18.357 -0.197 1.00 0.00 AP1 ATOM 126 CD1 LEU A 8 34.297 19.656 -1.841 1.00 0.00 AP1 C ATOM 127 HD11 LEU A 8 33.681 20.521 -1.514 1.00 0.00 AP1 ATOM 128 HD12 LEU A 8 35.334 19.806 -1.469 1.00 0.00 AP1 ATOM 129 HD13 LEU A 8 34.320 19.647 -2.952 1.00 0.00 AP1 ATOM 130 CD2 LEU A 8 32.246 18.143 -1.596 1.00 0.00 AP1 C ATOM 131 HD21 LEU A 8 31.650 18.998 -1.210 1.00 0.00 AP1 ATOM 132 HD22 LEU A 8 32.051 18.061 -2.684 1.00 0.00 AP1 ATOM 133 HD23 LEU A 8 31.881 17.215 -1.104 1.00 0.00 AP1 ATOM 134 C LEU A 8 36.051 17.132 0.266 1.00 0.00 AP1 C ATOM 135 O LEU A 8 36.159 18.166 0.920 1.00 0.00 AP1 O ATOM 136 N ALA A 9 35.754 15.980 0.828 1.00 0.00 AP1 N ATOM 137 HN ALA A 9 35.454 15.193 0.290 1.00 0.00 AP1 H ATOM 138 CA ALA A 9 35.838 15.757 2.284 1.00 0.00 AP1 C ATOM 139 HA ALA A 9 35.039 16.278 2.800 1.00 0.00 AP1 ATOM 140 CB ALA A 9 35.656 14.287 2.623 1.00 0.00 AP1 C ATOM 141 HB1 ALA A 9 34.673 13.936 2.243 1.00 0.00 AP1 ATOM 142 HB2 ALA A 9 36.447 13.667 2.148 1.00 0.00 AP1 ATOM 143 HB3 ALA A 9 35.682 14.114 3.721 1.00 0.00 AP1 ATOM 144 C ALA A 9 37.144 16.314 2.840 1.00 0.00 AP1 C ATOM 145 O ALA A 9 37.151 16.978 3.897 1.00 0.00 AP1 O ATOM 146 N ALA A 10 38.272 15.983 2.204 1.00 0.00 AP1 N ATOM 147 HN ALA A 10 38.246 15.397 1.395 1.00 0.00 AP1 H ATOM 148 CA ALA A 10 39.610 16.431 2.616 1.00 0.00 AP1 C ATOM 149 HA ALA A 10 39.785 16.217 3.664 1.00 0.00 AP1 ATOM 150 CB ALA A 10 40.708 15.706 1.842 1.00 0.00 AP1 C ATOM 151 HB1 ALA A 10 40.624 14.612 2.013 1.00 0.00 AP1 ATOM 152 HB2 ALA A 10 40.614 15.890 0.749 1.00 0.00 AP1 ATOM 153 HB3 ALA A 10 41.720 16.028 2.169 1.00 0.00 AP1 ATOM 154 C ALA A 10 39.736 17.944 2.459 1.00 0.00 AP1 C ATOM 155 O ALA A 10 40.193 18.499 3.469 1.00 0.00 AP1 O ATOM 156 N ALA A 11 39.227 18.519 1.385 1.00 0.00 AP1 N ATOM 157 HN ALA A 11 38.797 18.015 0.636 1.00 0.00 AP1 H ATOM 158 CA ALA A 11 39.264 19.982 1.223 1.00 0.00 AP1 C ATOM 159 HA ALA A 11 40.286 20.338 1.285 1.00 0.00 AP1 ATOM 160 CB ALA A 11 38.869 20.421 -0.175 1.00 0.00 AP1 C ATOM 161 HB1 ALA A 11 39.502 19.897 -0.923 1.00 0.00 AP1 ATOM 162 HB2 ALA A 11 37.807 20.168 -0.388 1.00 0.00 AP1 ATOM 163 HB3 ALA A 11 39.007 21.515 -0.315 1.00 0.00 AP1 ATOM 164 C ALA A 11 38.491 20.702 2.321 1.00 0.00 AP1 C ATOM 165 O ALA A 11 38.946 21.658 2.953 1.00 0.00 AP1 O ATOM 166 N MET A 12 37.288 20.214 2.590 1.00 0.00 AP1 N ATOM 167 HN MET A 12 36.913 19.425 2.109 1.00 0.00 AP1 H ATOM 168 CA MET A 12 36.398 20.781 3.612 1.00 0.00 AP1 C ATOM 169 HA MET A 12 36.270 21.827 3.360 1.00 0.00 AP1 ATOM 170 CB MET A 12 34.993 20.213 3.515 1.00 0.00 AP1 C ATOM 171 HB1 MET A 12 35.093 19.102 3.491 1.00 0.00 AP1 ATOM 172 HB2 MET A 12 34.432 20.455 4.445 1.00 0.00 AP1 ATOM 173 CG MET A 12 34.320 20.724 2.265 1.00 0.00 AP1 C ATOM 174 HG1 MET A 12 34.266 21.833 2.281 1.00 0.00 AP1 ATOM 175 HG2 MET A 12 34.915 20.429 1.373 1.00 0.00 AP1 ATOM 176 SD MET A 12 32.634 19.986 2.235 1.00 0.00 AP1 S ATOM 177 CE MET A 12 31.788 21.135 1.138 1.00 0.00 AP1 C ATOM 178 HE1 MET A 12 30.723 20.846 1.006 1.00 0.00 AP1 ATOM 179 HE2 MET A 12 31.814 22.168 1.546 1.00 0.00 AP1 ATOM 180 HE3 MET A 12 32.263 21.152 0.134 1.00 0.00 AP1 ATOM 181 C MET A 12 36.990 20.715 5.007 1.00 0.00 AP1 C ATOM 182 O MET A 12 36.906 21.637 5.840 1.00 0.00 AP1 O ATOM 183 N LYS A 13 37.688 19.628 5.314 1.00 0.00 AP1 N ATOM 184 HN LYS A 13 37.761 18.893 4.642 1.00 0.00 AP1 H ATOM 185 CA LYS A 13 38.387 19.385 6.579 1.00 0.00 AP1 C ATOM 186 HA LYS A 13 37.684 19.510 7.394 1.00 0.00 AP1 ATOM 187 CB LYS A 13 38.934 17.952 6.572 1.00 0.00 AP1 C ATOM 188 HB1 LYS A 13 38.058 17.267 6.489 1.00 0.00 AP1 ATOM 189 HB2 LYS A 13 39.538 17.800 5.650 1.00 0.00 AP1 ATOM 190 CG LYS A 13 39.742 17.555 7.798 1.00 0.00 AP1 C ATOM 191 HG1 LYS A 13 40.605 16.928 7.478 1.00 0.00 AP1 ATOM 192 HG2 LYS A 13 40.157 18.474 8.272 1.00 0.00 AP1 ATOM 193 CD LYS A 13 38.973 16.777 8.834 1.00 0.00 AP1 C ATOM 194 HD1 LYS A 13 39.224 17.186 9.839 1.00 0.00 AP1 ATOM 195 HD2 LYS A 13 37.886 16.954 8.664 1.00 0.00 AP1 ATOM 196 CE LYS A 13 39.293 15.305 8.751 1.00 0.00 AP1 C ATOM 197 HE1 LYS A 13 39.721 15.055 7.755 1.00 0.00 AP1 ATOM 198 HE2 LYS A 13 40.031 15.021 9.533 1.00 0.00 AP1 ATOM 199 NZ LYS A 13 38.077 14.461 8.946 1.00 0.00 AP1 N ATOM 200 HZ1 LYS A 13 38.329 13.454 8.882 1.00 0.00 AP1 H ATOM 201 HZ2 LYS A 13 37.666 14.656 9.881 1.00 0.00 AP1 H ATOM 202 HZ3 LYS A 13 37.377 14.688 8.211 1.00 0.00 AP1 H ATOM 203 C LYS A 13 39.460 20.467 6.731 1.00 0.00 AP1 C ATOM 204 O LYS A 13 39.507 21.137 7.776 1.00 0.00 AP1 O ATOM 205 N ARG A 14 40.267 20.629 5.688 1.00 0.00 AP1 N ATOM 206 HN ARG A 14 40.139 20.109 4.847 1.00 0.00 AP1 H ATOM 207 CA ARG A 14 41.387 21.577 5.713 1.00 0.00 AP1 C ATOM 208 HA ARG A 14 41.998 21.344 6.577 1.00 0.00 AP1 ATOM 209 CB ARG A 14 42.388 21.351 4.601 1.00 0.00 AP1 C ATOM 210 HB1 ARG A 14 43.378 21.680 4.997 1.00 0.00 AP1 ATOM 211 HB2 ARG A 14 42.485 20.261 4.403 1.00 0.00 AP1 ATOM 212 CG ARG A 14 42.173 22.079 3.289 1.00 0.00 AP1 C ATOM 213 HG1 ARG A 14 41.309 21.616 2.765 1.00 0.00 AP1 ATOM 214 HG2 ARG A 14 41.865 23.128 3.503 1.00 0.00 AP1 ATOM 215 CD ARG A 14 43.444 22.075 2.490 1.00 0.00 AP1 C ATOM 216 HD1 ARG A 14 43.344 22.779 1.632 1.00 0.00 AP1 ATOM 217 HD2 ARG A 14 44.317 22.388 3.109 1.00 0.00 AP1 ATOM 218 NE ARG A 14 43.687 20.710 2.012 1.00 0.00 AP1 N ATOM 219 HE ARG A 14 44.317 20.191 2.601 1.00 0.00 AP1 H ATOM 220 CZ ARG A 14 43.098 20.255 0.892 1.00 0.00 AP1 C ATOM 221 NH1 ARG A 14 42.695 21.186 0.018 1.00 0.00 AP1 N ATOM 222 HH11 ARG A 14 42.231 20.926 -0.817 1.00 0.00 AP1 H ATOM 223 HH12 ARG A 14 42.766 22.139 0.320 1.00 0.00 AP1 H ATOM 224 NH2 ARG A 14 42.949 18.957 0.689 1.00 0.00 AP1 N ATOM 225 HH21 ARG A 14 42.594 18.630 -0.175 1.00 0.00 AP1 H ATOM 226 HH22 ARG A 14 43.395 18.349 1.332 1.00 0.00 AP1 H ATOM 227 C ARG A 14 40.927 23.017 5.881 1.00 0.00 AP1 C ATOM 228 O ARG A 14 41.557 23.834 6.584 1.00 0.00 AP1 O ATOM 229 N HSD A 15 39.681 23.247 5.463 1.00 0.00 AP1 N ATOM 230 HN HSD A 15 39.093 22.532 5.088 1.00 0.00 AP1 H ATOM 231 CA HSD A 15 39.075 24.591 5.526 1.00 0.00 AP1 C ATOM 232 HA HSD A 15 39.894 25.298 5.482 1.00 0.00 AP1 ATOM 233 CB HSD A 15 38.223 24.918 4.285 1.00 0.00 AP1 C ATOM 234 HB1 HSD A 15 37.665 24.007 3.979 1.00 0.00 AP1 ATOM 235 HB2 HSD A 15 37.463 25.686 4.548 1.00 0.00 AP1 ATOM 236 ND1 HSD A 15 39.457 24.635 2.091 1.00 0.00 AP1 N ATOM 237 HD1 HSD A 15 39.147 23.707 1.881 1.00 0.00 AP1 H ATOM 238 CG HSD A 15 39.085 25.388 3.171 1.00 0.00 AP1 C ATOM 239 CE1 HSD A 15 40.211 25.312 1.258 1.00 0.00 AP1 C ATOM 240 HE1 HSD A 15 40.477 24.965 0.256 1.00 0.00 AP1 H ATOM 241 NE2 HSD A 15 40.524 26.419 1.889 1.00 0.00 AP1 N ATOM 242 CD2 HSD A 15 39.739 26.570 2.993 1.00 0.00 AP1 C ATOM 243 HD2 HSD A 15 39.712 27.472 3.593 1.00 0.00 AP1 H ATOM 244 C HSD A 15 38.310 24.861 6.814 1.00 0.00 AP1 C ATOM 245 O HSD A 15 37.608 25.875 6.952 1.00 0.00 AP1 O ATOM 246 N GLY A 16 38.296 23.927 7.720 1.00 0.00 AP1 N ATOM 247 HN GLY A 16 38.689 23.042 7.473 1.00 0.00 AP1 H ATOM 248 CA GLY A 16 37.765 24.025 9.072 1.00 0.00 AP1 C ATOM 249 HA1 GLY A 16 37.983 25.034 9.395 1.00 0.00 AP1 ATOM 250 HA2 GLY A 16 38.271 23.258 9.642 1.00 0.00 AP1 ATOM 251 C GLY A 16 36.264 23.799 9.210 1.00 0.00 AP1 C ATOM 252 O GLY A 16 35.646 24.400 10.127 1.00 0.00 AP1 O ATOM 253 N LEU A 17 35.665 23.073 8.274 1.00 0.00 AP1 N ATOM 254 HN LEU A 17 36.148 22.672 7.498 1.00 0.00 AP1 H ATOM 255 CA LEU A 17 34.238 22.795 8.298 1.00 0.00 AP1 C ATOM 256 HA LEU A 17 33.770 23.708 8.643 1.00 0.00 AP1 ATOM 257 CB LEU A 17 33.648 22.647 6.901 1.00 0.00 AP1 C ATOM 258 HB1 LEU A 17 34.325 21.973 6.327 1.00 0.00 AP1 ATOM 259 HB2 LEU A 17 32.674 22.114 6.974 1.00 0.00 AP1 ATOM 260 CG LEU A 17 33.451 23.889 6.060 1.00 0.00 AP1 C ATOM 261 HG LEU A 17 34.467 24.332 5.925 1.00 0.00 AP1 ATOM 262 CD1 LEU A 17 32.933 23.420 4.705 1.00 0.00 AP1 C ATOM 263 HD11 LEU A 17 32.719 24.290 4.047 1.00 0.00 AP1 ATOM 264 HD12 LEU A 17 33.685 22.777 4.200 1.00 0.00 AP1 ATOM 265 HD13 LEU A 17 31.995 22.836 4.824 1.00 0.00 AP1 ATOM 266 CD2 LEU A 17 32.556 24.946 6.679 1.00 0.00 AP1 C ATOM 267 HD21 LEU A 17 32.480 25.829 6.008 1.00 0.00 AP1 ATOM 268 HD22 LEU A 17 31.529 24.564 6.851 1.00 0.00 AP1 ATOM 269 HD23 LEU A 17 32.971 25.285 7.653 1.00 0.00 AP1 ATOM 270 C LEU A 17 33.845 21.682 9.266 1.00 0.00 AP1 C ATOM 271 O LEU A 17 32.643 21.594 9.552 1.00 0.00 AP1 O ATOM 272 N ASP A 18 34.785 20.814 9.605 1.00 0.00 AP1 N ATOM 273 HN ASP A 18 35.730 20.813 9.289 1.00 0.00 AP1 H ATOM 274 CA ASP A 18 34.492 19.722 10.526 1.00 0.00 AP1 C ATOM 275 HA ASP A 18 33.668 19.168 10.092 1.00 0.00 AP1 ATOM 276 CB ASP A 18 35.557 18.633 10.598 1.00 0.00 AP1 C ATOM 277 HB1 ASP A 18 35.849 18.340 9.570 1.00 0.00 AP1 ATOM 278 HB2 ASP A 18 36.459 19.003 11.125 1.00 0.00 AP1 ATOM 279 CG ASP A 18 35.017 17.408 11.311 1.00 0.00 AP1 C ATOM 280 OD1 ASP A 18 33.805 17.154 11.455 1.00 0.00 AP1 O ATOM 281 OD2 ASP A 18 35.925 16.603 11.662 1.00 0.00 AP1 O ATOM 282 C ASP A 18 34.015 20.222 11.901 1.00 0.00 AP1 C ATOM 283 O ASP A 18 34.826 20.778 12.658 1.00 0.00 AP1 O ATOM 284 N ASN A 19 32.746 19.990 12.205 1.00 0.00 AP1 N ATOM 285 HN ASN A 19 32.136 19.492 11.590 1.00 0.00 AP1 H ATOM 286 CA ASN A 19 32.123 20.431 13.448 1.00 0.00 AP1 C ATOM 287 HA ASN A 19 31.164 19.925 13.472 1.00 0.00 AP1 ATOM 288 CB ASN A 19 32.767 20.004 14.770 1.00 0.00 AP1 C ATOM 289 HB1 ASN A 19 32.707 18.896 14.835 1.00 0.00 AP1 ATOM 290 HB2 ASN A 19 33.841 20.281 14.783 1.00 0.00 AP1 ATOM 291 CG ASN A 19 32.162 20.512 16.064 1.00 0.00 AP1 C ATOM 292 OD1 ASN A 19 30.967 20.273 16.355 1.00 0.00 AP1 O ATOM 293 ND2 ASN A 19 32.847 21.361 16.852 1.00 0.00 AP1 N ATOM 294 HD21 ASN A 19 32.409 21.656 17.697 1.00 0.00 AP1 H ATOM 295 HD22 ASN A 19 33.766 21.646 16.597 1.00 0.00 AP1 H ATOM 296 C ASN A 19 31.854 21.941 13.497 1.00 0.00 AP1 C ATOM 297 O ASN A 19 31.426 22.398 14.573 1.00 0.00 AP1 O ATOM 298 N TYR A 20 31.969 22.650 12.406 1.00 0.00 AP1 N ATOM 299 HN TYR A 20 32.233 22.279 11.517 1.00 0.00 AP1 H ATOM 300 CA TYR A 20 31.707 24.099 12.411 1.00 0.00 AP1 C ATOM 301 HA TYR A 20 32.299 24.533 13.208 1.00 0.00 AP1 ATOM 302 CB TYR A 20 32.070 24.736 11.066 1.00 0.00 AP1 C ATOM 303 HB1 TYR A 20 33.096 24.419 10.778 1.00 0.00 AP1 ATOM 304 HB2 TYR A 20 31.381 24.386 10.267 1.00 0.00 AP1 ATOM 305 CG TYR A 20 32.061 26.250 11.144 1.00 0.00 AP1 C ATOM 306 CD1 TYR A 20 33.141 26.886 11.760 1.00 0.00 AP1 C ATOM 307 HD1 TYR A 20 33.918 26.295 12.226 1.00 0.00 AP1 H ATOM 308 CE1 TYR A 20 33.206 28.277 11.794 1.00 0.00 AP1 C ATOM 309 HE1 TYR A 20 34.098 28.777 12.140 1.00 0.00 AP1 H ATOM 310 CZ TYR A 20 32.102 29.017 11.383 1.00 0.00 AP1 C ATOM 311 OH TYR A 20 32.136 30.371 11.525 1.00 0.00 AP1 O ATOM 312 HH TYR A 20 31.335 30.722 11.130 1.00 0.00 AP1 H ATOM 313 CD2 TYR A 20 30.979 27.004 10.691 1.00 0.00 AP1 C ATOM 314 HD2 TYR A 20 30.097 26.508 10.309 1.00 0.00 AP1 H ATOM 315 CE2 TYR A 20 31.018 28.399 10.779 1.00 0.00 AP1 C ATOM 316 HE2 TYR A 20 30.195 28.983 10.396 1.00 0.00 AP1 H ATOM 317 C TYR A 20 30.231 24.343 12.759 1.00 0.00 AP1 C ATOM 318 O TYR A 20 29.288 23.874 12.118 1.00 0.00 AP1 O ATOM 319 N ARG A 21 30.088 25.142 13.803 1.00 0.00 AP1 N ATOM 320 HN ARG A 21 30.888 25.497 14.281 1.00 0.00 AP1 H ATOM 321 CA ARG A 21 28.774 25.553 14.319 1.00 0.00 AP1 C ATOM 322 HA ARG A 21 28.902 26.077 15.259 1.00 0.00 AP1 ATOM 323 CB ARG A 21 28.014 26.565 13.453 1.00 0.00 AP1 C ATOM 324 HB1 ARG A 21 28.122 26.220 12.397 1.00 0.00 AP1 ATOM 325 HB2 ARG A 21 26.927 26.510 13.684 1.00 0.00 AP1 ATOM 326 CG ARG A 21 28.507 27.995 13.535 1.00 0.00 AP1 C ATOM 327 HG1 ARG A 21 29.612 27.996 13.413 1.00 0.00 AP1 ATOM 328 HG2 ARG A 21 28.110 28.565 12.664 1.00 0.00 AP1 ATOM 329 CD ARG A 21 28.110 28.755 14.765 1.00 0.00 AP1 C ATOM 330 HD1 ARG A 21 27.381 29.552 14.489 1.00 0.00 AP1 ATOM 331 HD2 ARG A 21 27.639 28.088 15.524 1.00 0.00 AP1 ATOM 332 NE ARG A 21 29.319 29.321 15.324 1.00 0.00 AP1 N ATOM 333 HE ARG A 21 29.563 28.928 16.218 1.00 0.00 AP1 H ATOM 334 CZ ARG A 21 30.215 30.234 14.978 1.00 0.00 AP1 C ATOM 335 NH1 ARG A 21 31.501 29.856 14.846 1.00 0.00 AP1 N ATOM 336 HH11 ARG A 21 32.200 30.518 14.613 1.00 0.00 AP1 H ATOM 337 HH12 ARG A 21 31.719 28.919 15.127 1.00 0.00 AP1 H ATOM 338 NH2 ARG A 21 29.938 31.437 14.495 1.00 0.00 AP1 N ATOM 339 HH21 ARG A 21 30.671 32.024 14.181 1.00 0.00 AP1 H ATOM 340 HH22 ARG A 21 28.990 31.623 14.271 1.00 0.00 AP1 H ATOM 341 C ARG A 21 27.964 24.312 14.623 1.00 0.00 AP1 C ATOM 342 O ARG A 21 26.733 24.333 14.606 1.00 0.00 AP1 O ATOM 343 N GLY A 22 28.689 23.250 14.998 1.00 0.00 AP1 N ATOM 344 HN GLY A 22 29.686 23.260 14.933 1.00 0.00 AP1 H ATOM 345 CA GLY A 22 28.103 22.021 15.519 1.00 0.00 AP1 C ATOM 346 HA1 GLY A 22 27.190 22.304 16.025 1.00 0.00 AP1 ATOM 347 HA2 GLY A 22 28.845 21.568 16.162 1.00 0.00 AP1 ATOM 348 C GLY A 22 27.748 21.018 14.436 1.00 0.00 AP1 C ATOM 349 O GLY A 22 27.085 20.022 14.784 1.00 0.00 AP1 O ATOM 350 N TYR A 23 28.209 21.230 13.216 1.00 0.00 AP1 N ATOM 351 HN TYR A 23 28.791 22.000 12.962 1.00 0.00 AP1 H ATOM 352 CA TYR A 23 27.887 20.318 12.111 1.00 0.00 AP1 C ATOM 353 HA TYR A 23 27.186 19.595 12.512 1.00 0.00 AP1 ATOM 354 CB TYR A 23 27.351 21.107 10.913 1.00 0.00 AP1 C ATOM 355 HB1 TYR A 23 28.051 21.939 10.682 1.00 0.00 AP1 ATOM 356 HB2 TYR A 23 27.298 20.462 10.010 1.00 0.00 AP1 ATOM 357 CG TYR A 23 26.001 21.745 11.127 1.00 0.00 AP1 C ATOM 358 CD1 TYR A 23 24.846 20.962 11.139 1.00 0.00 AP1 C ATOM 359 HD1 TYR A 23 24.909 19.907 10.909 1.00 0.00 AP1 H ATOM 360 CE1 TYR A 23 23.600 21.518 11.422 1.00 0.00 AP1 C ATOM 361 HE1 TYR A 23 22.711 20.905 11.420 1.00 0.00 AP1 H ATOM 362 CZ TYR A 23 23.518 22.881 11.701 1.00 0.00 AP1 C ATOM 363 OH TYR A 23 22.289 23.438 11.912 1.00 0.00 AP1 O ATOM 364 HH TYR A 23 22.427 24.355 12.158 1.00 0.00 AP1 H ATOM 365 CD2 TYR A 23 25.897 23.096 11.458 1.00 0.00 AP1 C ATOM 366 HD2 TYR A 23 26.781 23.719 11.472 1.00 0.00 AP1 H ATOM 367 CE2 TYR A 23 24.647 23.673 11.726 1.00 0.00 AP1 C ATOM 368 HE2 TYR A 23 24.577 24.732 11.928 1.00 0.00 AP1 H ATOM 369 C TYR A 23 29.124 19.533 11.628 1.00 0.00 AP1 C ATOM 370 O TYR A 23 30.045 20.191 11.139 1.00 0.00 AP1 O ATOM 371 N SER A 24 29.029 18.223 11.810 1.00 0.00 AP1 N ATOM 372 HN SER A 24 28.248 17.739 12.205 1.00 0.00 AP1 H ATOM 373 CA SER A 24 30.143 17.347 11.414 1.00 0.00 AP1 C ATOM 374 HA SER A 24 31.030 17.763 11.874 1.00 0.00 AP1 ATOM 375 CB SER A 24 29.922 15.934 11.907 1.00 0.00 AP1 C ATOM 376 HB1 SER A 24 30.822 15.331 11.645 1.00 0.00 AP1 ATOM 377 HB2 SER A 24 29.830 15.920 13.017 1.00 0.00 AP1 ATOM 378 OG SER A 24 28.799 15.336 11.308 1.00 0.00 AP1 O ATOM 379 HG1 SER A 24 28.850 14.389 11.491 1.00 0.00 AP1 H ATOM 380 C SER A 24 30.359 17.379 9.895 1.00 0.00 AP1 C ATOM 381 O SER A 24 29.442 17.687 9.139 1.00 0.00 AP1 O ATOM 382 N LEU A 25 31.593 17.028 9.540 1.00 0.00 AP1 N ATOM 383 HN LEU A 25 32.291 16.705 10.176 1.00 0.00 AP1 H ATOM 384 CA LEU A 25 32.035 17.092 8.138 1.00 0.00 AP1 C ATOM 385 HA LEU A 25 32.089 18.143 7.885 1.00 0.00 AP1 ATOM 386 CB LEU A 25 33.410 16.409 8.084 1.00 0.00 AP1 C ATOM 387 HB1 LEU A 25 34.066 16.932 8.818 1.00 0.00 AP1 ATOM 388 HB2 LEU A 25 33.309 15.364 8.451 1.00 0.00 AP1 ATOM 389 CG LEU A 25 34.015 16.477 6.689 1.00 0.00 AP1 C ATOM 390 HG LEU A 25 33.403 15.932 5.930 1.00 0.00 AP1 ATOM 391 CD1 LEU A 25 34.174 17.929 6.289 1.00 0.00 AP1 C ATOM 392 HD11 LEU A 25 34.659 18.008 5.292 1.00 0.00 AP1 ATOM 393 HD12 LEU A 25 33.184 18.431 6.236 1.00 0.00 AP1 ATOM 394 HD13 LEU A 25 34.804 18.472 7.025 1.00 0.00 AP1 ATOM 395 CD2 LEU A 25 35.398 15.810 6.752 1.00 0.00 AP1 C ATOM 396 HD21 LEU A 25 35.876 15.817 5.749 1.00 0.00 AP1 ATOM 397 HD22 LEU A 25 36.076 16.338 7.452 1.00 0.00 AP1 ATOM 398 HD23 LEU A 25 35.306 14.754 7.085 1.00 0.00 AP1 ATOM 399 C LEU A 25 31.030 16.437 7.183 1.00 0.00 AP1 C ATOM 400 O LEU A 25 30.874 16.924 6.056 1.00 0.00 AP1 O ATOM 401 N GLY A 26 30.501 15.280 7.576 1.00 0.00 AP1 N ATOM 402 HN GLY A 26 30.735 14.849 8.446 1.00 0.00 AP1 H ATOM 403 CA GLY A 26 29.539 14.561 6.756 1.00 0.00 AP1 C ATOM 404 HA1 GLY A 26 29.170 13.758 7.380 1.00 0.00 AP1 ATOM 405 HA2 GLY A 26 30.086 14.230 5.884 1.00 0.00 AP1 ATOM 406 C GLY A 26 28.338 15.378 6.277 1.00 0.00 AP1 C ATOM 407 O GLY A 26 27.886 15.250 5.120 1.00 0.00 AP1 O ATOM 408 N ASN A 27 27.905 16.281 7.161 1.00 0.00 AP1 N ATOM 409 HN ASN A 27 28.286 16.369 8.081 1.00 0.00 AP1 H ATOM 410 CA ASN A 27 26.827 17.227 6.857 1.00 0.00 AP1 C ATOM 411 HA ASN A 27 25.946 16.630 6.645 1.00 0.00 AP1 ATOM 412 CB ASN A 27 26.484 18.126 8.054 1.00 0.00 AP1 C ATOM 413 HB1 ASN A 27 27.440 18.465 8.510 1.00 0.00 AP1 ATOM 414 HB2 ASN A 27 25.938 19.030 7.714 1.00 0.00 AP1 ATOM 415 CG ASN A 27 25.681 17.267 9.048 1.00 0.00 AP1 C ATOM 416 OD1 ASN A 27 24.511 16.933 8.820 1.00 0.00 AP1 O ATOM 417 ND2 ASN A 27 26.348 17.052 10.169 1.00 0.00 AP1 N ATOM 418 HD21 ASN A 27 25.905 16.494 10.865 1.00 0.00 AP1 H ATOM 419 HD22 ASN A 27 27.267 17.417 10.280 1.00 0.00 AP1 H ATOM 420 C ASN A 27 27.164 18.015 5.597 1.00 0.00 AP1 C ATOM 421 O ASN A 27 26.317 18.208 4.720 1.00 0.00 AP1 O ATOM 422 N TRP A 28 28.344 18.591 5.583 1.00 0.00 AP1 N ATOM 423 HN TRP A 28 28.985 18.444 6.333 1.00 0.00 AP1 H ATOM 424 CA TRP A 28 28.831 19.475 4.513 1.00 0.00 AP1 C ATOM 425 HA TRP A 28 28.093 20.257 4.382 1.00 0.00 AP1 ATOM 426 CB TRP A 28 30.104 20.145 5.023 1.00 0.00 AP1 C ATOM 427 HB1 TRP A 28 30.834 19.344 5.274 1.00 0.00 AP1 ATOM 428 HB2 TRP A 28 30.561 20.754 4.213 1.00 0.00 AP1 ATOM 429 CG TRP A 28 29.941 20.978 6.251 1.00 0.00 AP1 C ATOM 430 CD1 TRP A 28 30.176 20.624 7.546 1.00 0.00 AP1 C ATOM 431 HD1 TRP A 28 30.538 19.657 7.869 1.00 0.00 AP1 H ATOM 432 NE1 TRP A 28 29.924 21.690 8.365 1.00 0.00 AP1 N ATOM 433 HE1 TRP A 28 30.156 21.757 9.311 1.00 0.00 AP1 H ATOM 434 CE2 TRP A 28 29.337 22.679 7.641 1.00 0.00 AP1 C ATOM 435 CD2 TRP A 28 29.319 22.284 6.287 1.00 0.00 AP1 C ATOM 436 CE3 TRP A 28 28.894 23.168 5.295 1.00 0.00 AP1 C ATOM 437 HE3 TRP A 28 28.937 22.911 4.245 1.00 0.00 AP1 H ATOM 438 CZ3 TRP A 28 28.398 24.404 5.682 1.00 0.00 AP1 C ATOM 439 HZ3 TRP A 28 27.989 25.070 4.935 1.00 0.00 AP1 H ATOM 440 CZ2 TRP A 28 28.913 23.943 8.038 1.00 0.00 AP1 C ATOM 441 HZ2 TRP A 28 28.943 24.299 9.056 1.00 0.00 AP1 H ATOM 442 CH2 TRP A 28 28.431 24.766 7.025 1.00 0.00 AP1 C ATOM 443 HH2 TRP A 28 28.065 25.738 7.325 1.00 0.00 AP1 H ATOM 444 C TRP A 28 28.940 18.741 3.183 1.00 0.00 AP1 C ATOM 445 O TRP A 28 28.742 19.321 2.090 1.00 0.00 AP1 O ATOM 446 N VAL A 29 29.572 17.543 3.261 1.00 0.00 AP1 N ATOM 447 HN VAL A 29 29.961 17.144 4.087 1.00 0.00 AP1 H ATOM 448 CA VAL A 29 29.729 16.711 2.047 1.00 0.00 AP1 C ATOM 449 HA VAL A 29 30.266 17.308 1.321 1.00 0.00 AP1 ATOM 450 CB VAL A 29 30.649 15.492 2.359 1.00 0.00 AP1 C ATOM 451 HB VAL A 29 30.173 14.914 3.189 1.00 0.00 AP1 ATOM 452 CG1 VAL A 29 30.782 14.596 1.136 1.00 0.00 AP1 C ATOM 453 HG11 VAL A 29 31.470 13.750 1.351 1.00 0.00 AP1 ATOM 454 HG12 VAL A 29 29.805 14.161 0.839 1.00 0.00 AP1 ATOM 455 HG13 VAL A 29 31.195 15.165 0.276 1.00 0.00 AP1 ATOM 456 CG2 VAL A 29 32.010 16.050 2.772 1.00 0.00 AP1 C ATOM 457 HG21 VAL A 29 32.728 15.226 2.971 1.00 0.00 AP1 ATOM 458 HG22 VAL A 29 32.429 16.693 1.968 1.00 0.00 AP1 ATOM 459 HG23 VAL A 29 31.931 16.657 3.698 1.00 0.00 AP1 ATOM 460 C VAL A 29 28.379 16.340 1.429 1.00 0.00 AP1 C ATOM 461 O VAL A 29 28.166 16.496 0.228 1.00 0.00 AP1 O ATOM 462 N CYS A 30 27.501 15.906 2.299 1.00 0.00 AP1 N ATOM 463 HN CYS A 30 27.759 15.784 3.256 1.00 0.00 AP1 H ATOM 464 CA CYS A 30 26.115 15.567 1.991 1.00 0.00 AP1 C ATOM 465 HA CYS A 30 26.153 14.739 1.293 1.00 0.00 AP1 ATOM 466 CB CYS A 30 25.343 15.046 3.172 1.00 0.00 AP1 C ATOM 467 HB1 CYS A 30 25.952 14.235 3.632 1.00 0.00 AP1 ATOM 468 HB2 CYS A 30 25.255 15.841 3.945 1.00 0.00 AP1 ATOM 469 SG CYS A 30 23.719 14.376 2.695 1.00 0.00 AP1 S ATOM 470 C CYS A 30 25.388 16.723 1.302 1.00 0.00 AP1 C ATOM 471 O CYS A 30 24.894 16.516 0.172 1.00 0.00 AP1 O ATOM 472 N ALA A 31 25.533 17.913 1.870 1.00 0.00 AP1 N ATOM 473 HN ALA A 31 26.051 18.038 2.716 1.00 0.00 AP1 H ATOM 474 CA ALA A 31 24.949 19.130 1.305 1.00 0.00 AP1 C ATOM 475 HA ALA A 31 23.872 19.043 1.214 1.00 0.00 AP1 ATOM 476 CB ALA A 31 25.167 20.335 2.200 1.00 0.00 AP1 C ATOM 477 HB1 ALA A 31 24.718 20.144 3.198 1.00 0.00 AP1 ATOM 478 HB2 ALA A 31 26.251 20.534 2.345 1.00 0.00 AP1 ATOM 479 HB3 ALA A 31 24.693 21.248 1.780 1.00 0.00 AP1 ATOM 480 C ALA A 31 25.487 19.354 -0.115 1.00 0.00 AP1 C ATOM 481 O ALA A 31 24.675 19.686 -0.998 1.00 0.00 AP1 O ATOM 482 N ALA A 32 26.807 19.354 -0.286 1.00 0.00 AP1 N ATOM 483 HN ALA A 32 27.422 19.225 0.491 1.00 0.00 AP1 H ATOM 484 CA ALA A 32 27.461 19.536 -1.579 1.00 0.00 AP1 C ATOM 485 HA ALA A 32 27.251 20.524 -1.972 1.00 0.00 AP1 ATOM 486 CB ALA A 32 28.982 19.476 -1.398 1.00 0.00 AP1 C ATOM 487 HB1 ALA A 32 29.302 20.253 -0.671 1.00 0.00 AP1 ATOM 488 HB2 ALA A 32 29.298 18.486 -1.002 1.00 0.00 AP1 ATOM 489 HB3 ALA A 32 29.516 19.661 -2.355 1.00 0.00 AP1 ATOM 490 C ALA A 32 26.943 18.538 -2.620 1.00 0.00 AP1 C ATOM 491 O ALA A 32 26.767 18.857 -3.789 1.00 0.00 AP1 O ATOM 492 N LYS A 33 26.731 17.303 -2.193 1.00 0.00 AP1 N ATOM 493 HN LYS A 33 26.891 17.059 -1.238 1.00 0.00 AP1 H ATOM 494 CA LYS A 33 26.261 16.216 -3.037 1.00 0.00 AP1 C ATOM 495 HA LYS A 33 26.970 16.110 -3.849 1.00 0.00 AP1 ATOM 496 CB LYS A 33 26.221 14.860 -2.351 1.00 0.00 AP1 C ATOM 497 HB1 LYS A 33 27.264 14.619 -2.039 1.00 0.00 AP1 ATOM 498 HB2 LYS A 33 25.627 14.946 -1.414 1.00 0.00 AP1 ATOM 499 CG LYS A 33 25.697 13.696 -3.185 1.00 0.00 AP1 C ATOM 500 HG1 LYS A 33 25.698 12.772 -2.563 1.00 0.00 AP1 ATOM 501 HG2 LYS A 33 24.640 13.902 -3.471 1.00 0.00 AP1 ATOM 502 CD LYS A 33 26.498 13.400 -4.446 1.00 0.00 AP1 C ATOM 503 HD1 LYS A 33 26.727 14.366 -4.952 1.00 0.00 AP1 ATOM 504 HD2 LYS A 33 27.469 12.944 -4.141 1.00 0.00 AP1 ATOM 505 CE LYS A 33 25.686 12.464 -5.331 1.00 0.00 AP1 C ATOM 506 HE1 LYS A 33 25.375 11.561 -4.761 1.00 0.00 AP1 ATOM 507 HE2 LYS A 33 24.772 12.976 -5.706 1.00 0.00 AP1 ATOM 508 NZ LYS A 33 26.423 11.979 -6.525 1.00 0.00 AP1 N ATOM 509 HZ1 LYS A 33 25.817 11.346 -7.085 1.00 0.00 AP1 H ATOM 510 HZ2 LYS A 33 26.709 12.790 -7.110 1.00 0.00 AP1 H ATOM 511 HZ3 LYS A 33 27.272 11.462 -6.220 1.00 0.00 AP1 H ATOM 512 C LYS A 33 24.903 16.555 -3.658 1.00 0.00 AP1 C ATOM 513 O LYS A 33 24.806 16.511 -4.890 1.00 0.00 AP1 O ATOM 514 N PHE A 34 23.972 16.946 -2.817 1.00 0.00 AP1 N ATOM 515 HN PHE A 34 24.138 17.146 -1.853 1.00 0.00 AP1 H ATOM 516 CA PHE A 34 22.569 17.125 -3.247 1.00 0.00 AP1 C ATOM 517 HA PHE A 34 22.403 16.410 -4.043 1.00 0.00 AP1 ATOM 518 CB PHE A 34 21.626 16.673 -2.130 1.00 0.00 AP1 C ATOM 519 HB1 PHE A 34 21.964 17.115 -1.167 1.00 0.00 AP1 ATOM 520 HB2 PHE A 34 20.590 17.034 -2.310 1.00 0.00 AP1 ATOM 521 CG PHE A 34 21.644 15.172 -1.965 1.00 0.00 AP1 C ATOM 522 CD1 PHE A 34 21.209 14.353 -3.007 1.00 0.00 AP1 C ATOM 523 HD1 PHE A 34 20.746 14.796 -3.878 1.00 0.00 AP1 H ATOM 524 CE1 PHE A 34 21.372 12.961 -2.910 1.00 0.00 AP1 C ATOM 525 HE1 PHE A 34 21.080 12.324 -3.733 1.00 0.00 AP1 H ATOM 526 CZ PHE A 34 21.923 12.406 -1.737 1.00 0.00 AP1 C ATOM 527 HZ PHE A 34 21.952 11.333 -1.608 1.00 0.00 AP1 H ATOM 528 CD2 PHE A 34 22.272 14.627 -0.851 1.00 0.00 AP1 C ATOM 529 HD2 PHE A 34 22.612 15.272 -0.053 1.00 0.00 AP1 H ATOM 530 CE2 PHE A 34 22.443 13.245 -0.743 1.00 0.00 AP1 C ATOM 531 HE2 PHE A 34 22.973 12.833 0.104 1.00 0.00 AP1 H ATOM 532 C PHE A 34 22.346 18.506 -3.836 1.00 0.00 AP1 C ATOM 533 O PHE A 34 21.504 18.692 -4.759 1.00 0.00 AP1 O ATOM 534 N GLU A 35 23.251 19.415 -3.451 1.00 0.00 AP1 N ATOM 535 HN GLU A 35 24.002 19.272 -2.813 1.00 0.00 AP1 H ATOM 536 CA GLU A 35 23.178 20.789 -3.996 1.00 0.00 AP1 C ATOM 537 HA GLU A 35 22.132 21.067 -3.979 1.00 0.00 AP1 ATOM 538 CB GLU A 35 23.698 21.892 -3.107 1.00 0.00 AP1 C ATOM 539 HB1 GLU A 35 24.749 21.647 -2.828 1.00 0.00 AP1 ATOM 540 HB2 GLU A 35 23.749 22.845 -3.679 1.00 0.00 AP1 ATOM 541 CG GLU A 35 22.994 22.212 -1.809 1.00 0.00 AP1 C ATOM 542 HG1 GLU A 35 22.805 21.277 -1.252 1.00 0.00 AP1 ATOM 543 HG2 GLU A 35 23.605 22.892 -1.183 1.00 0.00 AP1 ATOM 544 CD GLU A 35 21.631 22.846 -1.864 1.00 0.00 AP1 C ATOM 545 OE1 GLU A 35 21.408 23.360 -2.981 1.00 0.00 AP1 O ATOM 546 OE2 GLU A 35 20.947 23.032 -0.874 1.00 0.00 AP1 O ATOM 547 C GLU A 35 23.661 20.944 -5.423 1.00 0.00 AP1 C ATOM 548 O GLU A 35 23.014 21.514 -6.310 1.00 0.00 AP1 O ATOM 549 N SER A 36 24.867 20.483 -5.674 1.00 0.00 AP1 N ATOM 550 HN SER A 36 25.341 19.979 -4.952 1.00 0.00 AP1 H ATOM 551 CA SER A 36 25.626 20.615 -6.903 1.00 0.00 AP1 C ATOM 552 HA SER A 36 24.914 21.068 -7.580 1.00 0.00 AP1 ATOM 553 CB SER A 36 26.830 21.528 -6.654 1.00 0.00 AP1 C ATOM 554 HB1 SER A 36 27.349 21.690 -7.626 1.00 0.00 AP1 ATOM 555 HB2 SER A 36 26.492 22.526 -6.294 1.00 0.00 AP1 ATOM 556 OG SER A 36 27.747 20.951 -5.748 1.00 0.00 AP1 O ATOM 557 HG1 SER A 36 28.565 21.460 -5.810 1.00 0.00 AP1 H ATOM 558 C SER A 36 26.139 19.341 -7.569 1.00 0.00 AP1 C ATOM 559 O SER A 36 26.750 19.464 -8.642 1.00 0.00 AP1 O ATOM 560 N ASN A 37 25.957 18.222 -6.927 1.00 0.00 AP1 N ATOM 561 HN ASN A 37 25.346 18.148 -6.139 1.00 0.00 AP1 H ATOM 562 CA ASN A 37 26.628 16.968 -7.297 1.00 0.00 AP1 C ATOM 563 HA ASN A 37 26.358 16.262 -6.519 1.00 0.00 AP1 ATOM 564 CB ASN A 37 26.028 16.490 -8.617 1.00 0.00 AP1 C ATOM 565 HB1 ASN A 37 24.948 16.755 -8.616 1.00 0.00 AP1 ATOM 566 HB2 ASN A 37 26.500 17.020 -9.469 1.00 0.00 AP1 ATOM 567 CG ASN A 37 26.156 14.980 -8.782 1.00 0.00 AP1 C ATOM 568 OD1 ASN A 37 26.640 14.266 -7.885 1.00 0.00 AP1 O ATOM 569 ND2 ASN A 37 25.867 14.506 -9.990 1.00 0.00 AP1 N ATOM 570 HD21 ASN A 37 25.931 13.521 -10.123 1.00 0.00 AP1 H ATOM 571 HD22 ASN A 37 25.571 15.125 -10.710 1.00 0.00 AP1 H ATOM 572 C ASN A 37 28.149 17.091 -7.302 1.00 0.00 AP1 C ATOM 573 O ASN A 37 28.813 16.627 -8.254 1.00 0.00 AP1 O ATOM 574 N PHE A 38 28.691 17.882 -6.383 1.00 0.00 AP1 N ATOM 575 HN PHE A 38 28.143 18.368 -5.704 1.00 0.00 AP1 H ATOM 576 CA PHE A 38 30.129 18.115 -6.279 1.00 0.00 AP1 C ATOM 577 HA PHE A 38 30.250 18.725 -5.392 1.00 0.00 AP1 ATOM 578 CB PHE A 38 30.914 16.823 -6.047 1.00 0.00 AP1 C ATOM 579 HB1 PHE A 38 30.781 16.154 -6.925 1.00 0.00 AP1 ATOM 580 HB2 PHE A 38 32.002 17.027 -5.953 1.00 0.00 AP1 ATOM 581 CG PHE A 38 30.487 16.006 -4.863 1.00 0.00 AP1 C ATOM 582 CD1 PHE A 38 30.100 16.572 -3.655 1.00 0.00 AP1 C ATOM 583 HD1 PHE A 38 30.060 17.648 -3.557 1.00 0.00 AP1 H ATOM 584 CE1 PHE A 38 29.766 15.808 -2.558 1.00 0.00 AP1 C ATOM 585 HE1 PHE A 38 29.450 16.287 -1.642 1.00 0.00 AP1 H ATOM 586 CZ PHE A 38 29.835 14.410 -2.646 1.00 0.00 AP1 C ATOM 587 HZ PHE A 38 29.654 13.789 -1.780 1.00 0.00 AP1 H ATOM 588 CD2 PHE A 38 30.507 14.603 -4.993 1.00 0.00 AP1 C ATOM 589 HD2 PHE A 38 30.825 14.151 -5.922 1.00 0.00 AP1 H ATOM 590 CE2 PHE A 38 30.136 13.814 -3.891 1.00 0.00 AP1 C ATOM 591 HE2 PHE A 38 30.080 12.739 -3.993 1.00 0.00 AP1 H ATOM 592 C PHE A 38 30.717 18.903 -7.448 1.00 0.00 AP1 C ATOM 593 O PHE A 38 31.923 18.794 -7.702 1.00 0.00 AP1 O ATOM 594 N ASN A 39 29.936 19.792 -8.033 1.00 0.00 AP1 N ATOM 595 HN ASN A 39 29.011 19.984 -7.707 1.00 0.00 AP1 H ATOM 596 CA ASN A 39 30.341 20.573 -9.199 1.00 0.00 AP1 C ATOM 597 HA ASN A 39 31.303 20.177 -9.507 1.00 0.00 AP1 ATOM 598 CB ASN A 39 29.406 20.300 -10.366 1.00 0.00 AP1 C ATOM 599 HB1 ASN A 39 29.275 19.199 -10.446 1.00 0.00 AP1 ATOM 600 HB2 ASN A 39 28.407 20.741 -10.171 1.00 0.00 AP1 ATOM 601 CG ASN A 39 29.876 20.771 -11.716 1.00 0.00 AP1 C ATOM 602 OD1 ASN A 39 30.579 21.750 -11.956 1.00 0.00 AP1 O ATOM 603 ND2 ASN A 39 29.578 19.864 -12.653 1.00 0.00 AP1 N ATOM 604 HD21 ASN A 39 29.854 20.065 -13.589 1.00 0.00 AP1 H ATOM 605 HD22 ASN A 39 29.126 19.015 -12.399 1.00 0.00 AP1 H ATOM 606 C ASN A 39 30.543 22.034 -8.823 1.00 0.00 AP1 C ATOM 607 O ASN A 39 29.544 22.649 -8.423 1.00 0.00 AP1 O ATOM 608 N THR A 40 31.766 22.492 -8.928 1.00 0.00 AP1 N ATOM 609 HN THR A 40 32.527 21.907 -9.206 1.00 0.00 AP1 H ATOM 610 CA THR A 40 32.139 23.869 -8.657 1.00 0.00 AP1 C ATOM 611 HA THR A 40 31.744 24.066 -7.669 1.00 0.00 AP1 ATOM 612 CB THR A 40 33.684 24.103 -8.422 1.00 0.00 AP1 C ATOM 613 HB THR A 40 33.775 25.101 -7.928 1.00 0.00 AP1 ATOM 614 OG1 THR A 40 34.270 24.156 -9.775 1.00 0.00 AP1 O ATOM 615 HG1 THR A 40 35.215 24.287 -9.640 1.00 0.00 AP1 H ATOM 616 CG2 THR A 40 34.414 23.119 -7.491 1.00 0.00 AP1 C ATOM 617 HG21 THR A 40 35.460 23.446 -7.312 1.00 0.00 AP1 ATOM 618 HG22 THR A 40 33.901 23.063 -6.507 1.00 0.00 AP1 ATOM 619 HG23 THR A 40 34.439 22.098 -7.929 1.00 0.00 AP1 ATOM 620 C THR A 40 31.504 24.890 -9.589 1.00 0.00 AP1 C ATOM 621 O THR A 40 31.316 26.054 -9.213 1.00 0.00 AP1 O ATOM 622 N GLN A 41 31.001 24.430 -10.706 1.00 0.00 AP1 N ATOM 623 HN GLN A 41 30.910 23.450 -10.876 1.00 0.00 AP1 H ATOM 624 CA GLN A 41 30.524 25.291 -11.812 1.00 0.00 AP1 C ATOM 625 HA GLN A 41 30.901 26.286 -11.608 1.00 0.00 AP1 ATOM 626 CB GLN A 41 31.047 24.817 -13.168 1.00 0.00 AP1 C ATOM 627 HB1 GLN A 41 30.778 23.739 -13.258 1.00 0.00 AP1 ATOM 628 HB2 GLN A 41 30.496 25.344 -13.980 1.00 0.00 AP1 ATOM 629 CG GLN A 41 32.549 25.004 -13.279 1.00 0.00 AP1 C ATOM 630 HG1 GLN A 41 32.995 25.165 -12.274 1.00 0.00 AP1 ATOM 631 HG2 GLN A 41 33.025 24.105 -13.722 1.00 0.00 AP1 ATOM 632 CD GLN A 41 32.763 26.236 -14.129 1.00 0.00 AP1 C ATOM 633 OE1 GLN A 41 32.356 26.308 -15.291 1.00 0.00 AP1 O ATOM 634 NE2 GLN A 41 33.276 27.231 -13.420 1.00 0.00 AP1 N ATOM 635 HE21 GLN A 41 33.446 28.086 -13.902 1.00 0.00 AP1 H ATOM 636 HE22 GLN A 41 33.487 27.095 -12.458 1.00 0.00 AP1 H ATOM 637 C GLN A 41 28.993 25.381 -11.874 1.00 0.00 AP1 C ATOM 638 O GLN A 41 28.504 26.019 -12.837 1.00 0.00 AP1 O ATOM 639 N ALA A 42 28.329 24.640 -11.012 1.00 0.00 AP1 N ATOM 640 HN ALA A 42 28.758 24.091 -10.295 1.00 0.00 AP1 H ATOM 641 CA ALA A 42 26.859 24.579 -11.061 1.00 0.00 AP1 C ATOM 642 HA ALA A 42 26.516 24.272 -12.043 1.00 0.00 AP1 ATOM 643 CB ALA A 42 26.355 23.604 -9.998 1.00 0.00 AP1 C ATOM 644 HB1 ALA A 42 26.749 22.587 -10.208 1.00 0.00 AP1 ATOM 645 HB2 ALA A 42 26.703 23.903 -8.985 1.00 0.00 AP1 ATOM 646 HB3 ALA A 42 25.245 23.547 -9.989 1.00 0.00 AP1 ATOM 647 C ALA A 42 26.257 25.969 -10.807 1.00 0.00 AP1 C ATOM 648 O ALA A 42 26.645 26.686 -9.884 1.00 0.00 AP1 O ATOM 649 N THR A 43 25.276 26.293 -11.643 1.00 0.00 AP1 N ATOM 650 HN THR A 43 25.044 25.739 -12.442 1.00 0.00 AP1 H ATOM 651 CA THR A 43 24.441 27.490 -11.476 1.00 0.00 AP1 C ATOM 652 HA THR A 43 24.518 27.784 -10.438 1.00 0.00 AP1 ATOM 653 CB THR A 43 24.814 28.728 -12.375 1.00 0.00 AP1 C ATOM 654 HB THR A 43 24.106 29.544 -12.089 1.00 0.00 AP1 ATOM 655 OG1 THR A 43 24.555 28.321 -13.756 1.00 0.00 AP1 O ATOM 656 HG1 THR A 43 24.797 29.080 -14.297 1.00 0.00 AP1 H ATOM 657 CG2 THR A 43 26.247 29.213 -12.184 1.00 0.00 AP1 C ATOM 658 HG21 THR A 43 26.426 30.151 -12.751 1.00 0.00 AP1 ATOM 659 HG22 THR A 43 26.446 29.419 -11.111 1.00 0.00 AP1 ATOM 660 HG23 THR A 43 26.977 28.452 -12.533 1.00 0.00 AP1 ATOM 661 C THR A 43 22.976 27.112 -11.714 1.00 0.00 AP1 C ATOM 662 O THR A 43 22.715 26.271 -12.594 1.00 0.00 AP1 O ATOM 663 N ASN A 44 22.088 27.742 -10.971 1.00 0.00 AP1 N ATOM 664 HN ASN A 44 22.330 28.417 -10.276 1.00 0.00 AP1 H ATOM 665 CA ASN A 44 20.640 27.497 -11.108 1.00 0.00 AP1 C ATOM 666 HA ASN A 44 20.472 27.137 -12.117 1.00 0.00 AP1 ATOM 667 CB ASN A 44 20.155 26.480 -10.080 1.00 0.00 AP1 C ATOM 668 HB1 ASN A 44 20.622 25.501 -10.324 1.00 0.00 AP1 ATOM 669 HB2 ASN A 44 20.495 26.767 -9.064 1.00 0.00 AP1 ATOM 670 CG ASN A 44 18.646 26.315 -10.115 1.00 0.00 AP1 C ATOM 671 OD1 ASN A 44 18.128 25.720 -11.078 1.00 0.00 AP1 O ATOM 672 ND2 ASN A 44 17.906 26.927 -9.188 1.00 0.00 AP1 N ATOM 673 HD21 ASN A 44 16.920 26.793 -9.228 1.00 0.00 AP1 H ATOM 674 HD22 ASN A 44 18.345 27.467 -8.476 1.00 0.00 AP1 H ATOM 675 C ASN A 44 19.903 28.842 -10.963 1.00 0.00 AP1 C ATOM 676 O ASN A 44 20.169 29.600 -10.033 1.00 0.00 AP1 O ATOM 677 N ARG A 45 19.058 29.117 -11.924 1.00 0.00 AP1 N ATOM 678 HN ARG A 45 18.906 28.448 -12.648 1.00 0.00 AP1 H ATOM 679 CA ARG A 45 18.303 30.363 -12.015 1.00 0.00 AP1 C ATOM 680 HA ARG A 45 18.819 31.141 -11.466 1.00 0.00 AP1 ATOM 681 CB ARG A 45 18.143 30.836 -13.462 1.00 0.00 AP1 C ATOM 682 HB1 ARG A 45 19.118 31.296 -13.753 1.00 0.00 AP1 ATOM 683 HB2 ARG A 45 18.009 29.956 -14.129 1.00 0.00 AP1 ATOM 684 CG ARG A 45 17.012 31.859 -13.557 1.00 0.00 AP1 C ATOM 685 HG1 ARG A 45 16.700 31.944 -14.621 1.00 0.00 AP1 ATOM 686 HG2 ARG A 45 16.121 31.465 -13.015 1.00 0.00 AP1 ATOM 687 CD ARG A 45 17.502 33.134 -12.930 1.00 0.00 AP1 C ATOM 688 HD1 ARG A 45 16.629 33.758 -12.630 1.00 0.00 AP1 ATOM 689 HD2 ARG A 45 18.124 32.933 -12.027 1.00 0.00 AP1 ATOM 690 NE ARG A 45 18.311 33.758 -13.981 1.00 0.00 AP1 N ATOM 691 HE ARG A 45 19.299 33.725 -13.792 1.00 0.00 AP1 H ATOM 692 CZ ARG A 45 17.620 34.271 -15.020 1.00 0.00 AP1 C ATOM 693 NH1 ARG A 45 16.287 34.331 -15.098 1.00 0.00 AP1 N ATOM 694 HH11 ARG A 45 15.845 34.699 -15.904 1.00 0.00 AP1 H ATOM 695 HH12 ARG A 45 15.778 33.865 -14.371 1.00 0.00 AP1 H ATOM 696 NH2 ARG A 45 18.374 34.698 -16.030 1.00 0.00 AP1 N ATOM 697 HH21 ARG A 45 17.955 35.167 -16.794 1.00 0.00 AP1 H ATOM 698 HH22 ARG A 45 19.354 34.716 -15.881 1.00 0.00 AP1 H ATOM 699 C ARG A 45 16.955 30.163 -11.326 1.00 0.00 AP1 C ATOM 700 O ARG A 45 16.396 29.062 -11.425 1.00 0.00 AP1 O ATOM 701 N ASN A 46 16.553 31.171 -10.554 1.00 0.00 AP1 N ATOM 702 HN ASN A 46 17.042 32.035 -10.441 1.00 0.00 AP1 H ATOM 703 CA ASN A 46 15.304 31.071 -9.782 1.00 0.00 AP1 C ATOM 704 HA ASN A 46 14.923 30.070 -9.954 1.00 0.00 AP1 ATOM 705 CB ASN A 46 15.576 31.229 -8.295 1.00 0.00 AP1 C ATOM 706 HB1 ASN A 46 16.018 32.237 -8.135 1.00 0.00 AP1 ATOM 707 HB2 ASN A 46 14.627 31.187 -7.723 1.00 0.00 AP1 ATOM 708 CG ASN A 46 16.543 30.240 -7.679 1.00 0.00 AP1 C ATOM 709 OD1 ASN A 46 17.659 30.661 -7.346 1.00 0.00 AP1 O ATOM 710 ND2 ASN A 46 16.125 28.975 -7.600 1.00 0.00 AP1 N ATOM 711 HD21 ASN A 46 16.745 28.313 -7.187 1.00 0.00 AP1 H ATOM 712 HD22 ASN A 46 15.215 28.730 -7.919 1.00 0.00 AP1 H ATOM 713 C ASN A 46 14.261 32.063 -10.313 1.00 0.00 AP1 C ATOM 714 O ASN A 46 14.617 33.104 -10.880 1.00 0.00 AP1 O ATOM 715 N THR A 47 13.027 31.834 -9.887 1.00 0.00 AP1 N ATOM 716 HN THR A 47 12.815 31.068 -9.281 1.00 0.00 AP1 H ATOM 717 CA THR A 47 11.871 32.654 -10.246 1.00 0.00 AP1 C ATOM 718 HA THR A 47 11.857 32.657 -11.328 1.00 0.00 AP1 ATOM 719 CB THR A 47 10.499 32.017 -9.789 1.00 0.00 AP1 C ATOM 720 HB THR A 47 9.697 32.640 -10.256 1.00 0.00 AP1 ATOM 721 OG1 THR A 47 10.507 32.195 -8.342 1.00 0.00 AP1 O ATOM 722 HG1 THR A 47 9.683 31.804 -8.031 1.00 0.00 AP1 H ATOM 723 CG2 THR A 47 10.331 30.554 -10.188 1.00 0.00 AP1 C ATOM 724 HG21 THR A 47 9.310 30.193 -9.944 1.00 0.00 AP1 ATOM 725 HG22 THR A 47 10.485 30.431 -11.281 1.00 0.00 AP1 ATOM 726 HG23 THR A 47 11.064 29.908 -9.659 1.00 0.00 AP1 ATOM 727 C THR A 47 12.001 34.107 -9.810 1.00 0.00 AP1 C ATOM 728 O THR A 47 11.600 34.969 -10.606 1.00 0.00 AP1 O ATOM 729 N ASP A 48 12.625 34.377 -8.683 1.00 0.00 AP1 N ATOM 730 HN ASP A 48 12.973 33.657 -8.087 1.00 0.00 AP1 H ATOM 731 CA ASP A 48 12.885 35.716 -8.168 1.00 0.00 AP1 C ATOM 732 HA ASP A 48 11.968 36.260 -8.361 1.00 0.00 AP1 ATOM 733 CB ASP A 48 13.023 35.735 -6.640 1.00 0.00 AP1 C ATOM 734 HB1 ASP A 48 12.954 36.781 -6.280 1.00 0.00 AP1 ATOM 735 HB2 ASP A 48 12.210 35.149 -6.167 1.00 0.00 AP1 ATOM 736 CG ASP A 48 14.367 35.174 -6.168 1.00 0.00 AP1 C ATOM 737 OD1 ASP A 48 15.104 34.602 -6.991 1.00 0.00 AP1 O ATOM 738 OD2 ASP A 48 14.750 35.442 -5.013 1.00 0.00 AP1 O ATOM 739 C ASP A 48 14.010 36.505 -8.823 1.00 0.00 AP1 C ATOM 740 O ASP A 48 14.246 37.621 -8.309 1.00 0.00 AP1 O ATOM 741 N GLY A 49 14.650 36.018 -9.862 1.00 0.00 AP1 N ATOM 742 HN GLY A 49 14.399 35.125 -10.234 1.00 0.00 AP1 H ATOM 743 CA GLY A 49 15.744 36.702 -10.546 1.00 0.00 AP1 C ATOM 744 HA1 GLY A 49 15.603 37.753 -10.336 1.00 0.00 AP1 ATOM 745 HA2 GLY A 49 15.645 36.441 -11.591 1.00 0.00 AP1 ATOM 746 C GLY A 49 17.147 36.315 -10.096 1.00 0.00 AP1 C ATOM 747 O GLY A 49 18.168 36.688 -10.694 1.00 0.00 AP1 O ATOM 748 N SER A 50 17.173 35.661 -8.930 1.00 0.00 AP1 N ATOM 749 HN SER A 50 16.346 35.423 -8.421 1.00 0.00 AP1 H ATOM 750 CA SER A 50 18.435 35.225 -8.279 1.00 0.00 AP1 C ATOM 751 HA SER A 50 19.154 36.014 -8.454 1.00 0.00 AP1 ATOM 752 CB SER A 50 18.272 35.089 -6.781 1.00 0.00 AP1 C ATOM 753 HB1 SER A 50 19.287 35.006 -6.329 1.00 0.00 AP1 ATOM 754 HB2 SER A 50 17.799 36.004 -6.358 1.00 0.00 AP1 ATOM 755 OG SER A 50 17.530 33.930 -6.463 1.00 0.00 AP1 O ATOM 756 HG1 SER A 50 17.645 33.770 -5.518 1.00 0.00 AP1 H ATOM 757 C SER A 50 18.977 33.963 -8.941 1.00 0.00 AP1 C ATOM 758 O SER A 50 18.273 33.255 -9.697 1.00 0.00 AP1 O ATOM 759 N THR A 51 20.271 33.766 -8.734 1.00 0.00 AP1 N ATOM 760 HN THR A 51 20.856 34.417 -8.251 1.00 0.00 AP1 H ATOM 761 CA THR A 51 20.970 32.557 -9.202 1.00 0.00 AP1 C ATOM 762 HA THR A 51 20.217 31.832 -9.480 1.00 0.00 AP1 ATOM 763 CB THR A 51 21.904 32.908 -10.419 1.00 0.00 AP1 C ATOM 764 HB THR A 51 22.666 33.626 -10.028 1.00 0.00 AP1 ATOM 765 OG1 THR A 51 21.099 33.576 -11.407 1.00 0.00 AP1 O ATOM 766 HG1 THR A 51 21.696 33.765 -12.139 1.00 0.00 AP1 H ATOM 767 CG2 THR A 51 22.686 31.699 -10.952 1.00 0.00 AP1 C ATOM 768 HG21 THR A 51 23.413 32.011 -11.731 1.00 0.00 AP1 ATOM 769 HG22 THR A 51 23.253 31.212 -10.130 1.00 0.00 AP1 ATOM 770 HG23 THR A 51 22.002 30.945 -11.397 1.00 0.00 AP1 ATOM 771 C THR A 51 21.718 31.969 -8.000 1.00 0.00 AP1 C ATOM 772 O THR A 51 22.160 32.712 -7.119 1.00 0.00 AP1 O ATOM 773 N ASP A 52 21.708 30.650 -7.927 1.00 0.00 AP1 N ATOM 774 HN ASP A 52 21.156 30.059 -8.509 1.00 0.00 AP1 H ATOM 775 CA ASP A 52 22.528 29.900 -6.959 1.00 0.00 AP1 C ATOM 776 HA ASP A 52 22.790 30.572 -6.149 1.00 0.00 AP1 ATOM 777 CB ASP A 52 21.765 28.649 -6.554 1.00 0.00 AP1 C ATOM 778 HB1 ASP A 52 21.624 28.003 -7.444 1.00 0.00 AP1 ATOM 779 HB2 ASP A 52 22.331 28.076 -5.793 1.00 0.00 AP1 ATOM 780 CG ASP A 52 20.396 28.991 -6.002 1.00 0.00 AP1 C ATOM 781 OD1 ASP A 52 20.220 29.928 -5.237 1.00 0.00 AP1 O ATOM 782 OD2 ASP A 52 19.517 28.144 -6.222 1.00 0.00 AP1 O ATOM 783 C ASP A 52 23.843 29.488 -7.635 1.00 0.00 AP1 C ATOM 784 O ASP A 52 23.847 29.066 -8.805 1.00 0.00 AP1 O ATOM 785 N TYR A 53 24.924 29.734 -6.905 1.00 0.00 AP1 N ATOM 786 HN TYR A 53 24.887 30.020 -5.949 1.00 0.00 AP1 H ATOM 787 CA TYR A 53 26.278 29.604 -7.450 1.00 0.00 AP1 C ATOM 788 HA TYR A 53 26.143 29.230 -8.458 1.00 0.00 AP1 ATOM 789 CB TYR A 53 26.993 30.972 -7.489 1.00 0.00 AP1 C ATOM 790 HB1 TYR A 53 26.900 31.460 -6.494 1.00 0.00 AP1 ATOM 791 HB2 TYR A 53 28.078 30.843 -7.692 1.00 0.00 AP1 ATOM 792 CG TYR A 53 26.437 31.959 -8.487 1.00 0.00 AP1 C ATOM 793 CD1 TYR A 53 26.843 32.003 -9.821 1.00 0.00 AP1 C ATOM 794 HD1 TYR A 53 27.611 31.327 -10.172 1.00 0.00 AP1 H ATOM 795 CE1 TYR A 53 26.291 32.922 -10.717 1.00 0.00 AP1 C ATOM 796 HE1 TYR A 53 26.586 32.922 -11.756 1.00 0.00 AP1 H ATOM 797 CZ TYR A 53 25.357 33.847 -10.252 1.00 0.00 AP1 C ATOM 798 OH TYR A 53 24.864 34.804 -11.094 1.00 0.00 AP1 O ATOM 799 HH TYR A 53 24.191 35.291 -10.614 1.00 0.00 AP1 H ATOM 800 CD2 TYR A 53 25.510 32.907 -8.050 1.00 0.00 AP1 C ATOM 801 HD2 TYR A 53 25.273 32.986 -6.998 1.00 0.00 AP1 H ATOM 802 CE2 TYR A 53 24.907 33.803 -8.932 1.00 0.00 AP1 C ATOM 803 HE2 TYR A 53 24.124 34.457 -8.579 1.00 0.00 AP1 H ATOM 804 C TYR A 53 27.161 28.595 -6.708 1.00 0.00 AP1 C ATOM 805 O TYR A 53 27.289 28.606 -5.486 1.00 0.00 AP1 O ATOM 806 N GLY A 54 27.751 27.721 -7.493 1.00 0.00 AP1 N ATOM 807 HN GLY A 54 27.434 27.644 -8.437 1.00 0.00 AP1 H ATOM 808 CA GLY A 54 28.845 26.832 -7.121 1.00 0.00 AP1 C ATOM 809 HA1 GLY A 54 29.513 27.452 -6.539 1.00 0.00 AP1 ATOM 810 HA2 GLY A 54 29.259 26.494 -8.061 1.00 0.00 AP1 ATOM 811 C GLY A 54 28.499 25.601 -6.290 1.00 0.00 AP1 C ATOM 812 O GLY A 54 27.339 25.155 -6.255 1.00 0.00 AP1 O ATOM 813 N ILE A 55 29.560 25.088 -5.684 1.00 0.00 AP1 N ATOM 814 HN ILE A 55 30.468 25.500 -5.641 1.00 0.00 AP1 H ATOM 815 CA ILE A 55 29.452 23.795 -4.994 1.00 0.00 AP1 C ATOM 816 HA ILE A 55 29.115 23.105 -5.757 1.00 0.00 AP1 ATOM 817 CB ILE A 55 30.891 23.340 -4.563 1.00 0.00 AP1 C ATOM 818 HB ILE A 55 31.524 23.516 -5.470 1.00 0.00 AP1 ATOM 819 CG2 ILE A 55 31.396 24.210 -3.390 1.00 0.00 AP1 C ATOM 820 HG21 ILE A 55 32.466 24.002 -3.182 1.00 0.00 AP1 ATOM 821 HG22 ILE A 55 31.304 25.290 -3.630 1.00 0.00 AP1 ATOM 822 HG23 ILE A 55 30.817 24.005 -2.465 1.00 0.00 AP1 ATOM 823 CG1 ILE A 55 30.785 21.812 -4.319 1.00 0.00 AP1 C ATOM 824 HG11 ILE A 55 30.296 21.620 -3.338 1.00 0.00 AP1 ATOM 825 HG12 ILE A 55 30.133 21.366 -5.104 1.00 0.00 AP1 ATOM 826 CD ILE A 55 32.101 21.018 -4.339 1.00 0.00 AP1 C ATOM 827 HD1 ILE A 55 31.899 19.933 -4.212 1.00 0.00 AP1 ATOM 828 HD2 ILE A 55 32.631 21.162 -5.305 1.00 0.00 AP1 ATOM 829 HD3 ILE A 55 32.773 21.341 -3.517 1.00 0.00 AP1 ATOM 830 C ILE A 55 28.424 23.748 -3.872 1.00 0.00 AP1 C ATOM 831 O ILE A 55 27.770 22.697 -3.693 1.00 0.00 AP1 O ATOM 832 N LEU A 56 28.216 24.881 -3.236 1.00 0.00 AP1 N ATOM 833 HN LEU A 56 28.730 25.721 -3.397 1.00 0.00 AP1 H ATOM 834 CA LEU A 56 27.173 24.998 -2.203 1.00 0.00 AP1 C ATOM 835 HA LEU A 56 26.815 23.992 -2.025 1.00 0.00 AP1 ATOM 836 CB LEU A 56 27.816 25.424 -0.877 1.00 0.00 AP1 C ATOM 837 HB1 LEU A 56 28.447 26.318 -1.089 1.00 0.00 AP1 ATOM 838 HB2 LEU A 56 27.018 25.768 -0.182 1.00 0.00 AP1 ATOM 839 CG LEU A 56 28.692 24.348 -0.204 1.00 0.00 AP1 C ATOM 840 HG LEU A 56 29.493 23.963 -0.880 1.00 0.00 AP1 ATOM 841 CD1 LEU A 56 29.331 24.997 1.008 1.00 0.00 AP1 C ATOM 842 HD11 LEU A 56 29.942 24.258 1.569 1.00 0.00 AP1 ATOM 843 HD12 LEU A 56 29.993 25.835 0.700 1.00 0.00 AP1 ATOM 844 HD13 LEU A 56 28.554 25.397 1.694 1.00 0.00 AP1 ATOM 845 CD2 LEU A 56 27.808 23.177 0.192 1.00 0.00 AP1 C ATOM 846 HD21 LEU A 56 28.417 22.376 0.664 1.00 0.00 AP1 ATOM 847 HD22 LEU A 56 27.028 23.480 0.920 1.00 0.00 AP1 ATOM 848 HD23 LEU A 56 27.305 22.750 -0.702 1.00 0.00 AP1 ATOM 849 C LEU A 56 25.981 25.838 -2.659 1.00 0.00 AP1 C ATOM 850 O LEU A 56 25.161 26.111 -1.774 1.00 0.00 AP1 O ATOM 851 N GLN A 57 25.865 26.104 -3.946 1.00 0.00 AP1 N ATOM 852 HN GLN A 57 26.545 25.877 -4.641 1.00 0.00 AP1 H ATOM 853 CA GLN A 57 24.668 26.785 -4.465 1.00 0.00 AP1 C ATOM 854 HA GLN A 57 24.928 27.202 -5.430 1.00 0.00 AP1 ATOM 855 CB GLN A 57 23.521 25.765 -4.549 1.00 0.00 AP1 C ATOM 856 HB1 GLN A 57 23.497 25.226 -3.574 1.00 0.00 AP1 ATOM 857 HB2 GLN A 57 22.551 26.307 -4.628 1.00 0.00 AP1 ATOM 858 CG GLN A 57 23.733 24.790 -5.699 1.00 0.00 AP1 C ATOM 859 HG1 GLN A 57 24.736 24.317 -5.626 1.00 0.00 AP1 ATOM 860 HG2 GLN A 57 22.973 23.982 -5.675 1.00 0.00 AP1 ATOM 861 CD GLN A 57 23.684 25.440 -7.069 1.00 0.00 AP1 C ATOM 862 OE1 GLN A 57 22.574 25.602 -7.591 1.00 0.00 AP1 O ATOM 863 NE2 GLN A 57 24.813 25.805 -7.651 1.00 0.00 AP1 N ATOM 864 HE21 GLN A 57 24.739 26.232 -8.548 1.00 0.00 AP1 H ATOM 865 HE22 GLN A 57 25.681 25.633 -7.198 1.00 0.00 AP1 H ATOM 866 C GLN A 57 24.277 27.940 -3.558 1.00 0.00 AP1 C ATOM 867 O GLN A 57 23.116 28.031 -3.094 1.00 0.00 AP1 O ATOM 868 N ILE A 58 25.164 28.910 -3.428 1.00 0.00 AP1 N ATOM 869 HN ILE A 58 26.061 28.871 -3.863 1.00 0.00 AP1 H ATOM 870 CA ILE A 58 24.930 30.118 -2.649 1.00 0.00 AP1 C ATOM 871 HA ILE A 58 24.256 29.848 -1.846 1.00 0.00 AP1 ATOM 872 CB ILE A 58 26.301 30.665 -2.134 1.00 0.00 AP1 C ATOM 873 HB ILE A 58 27.000 30.525 -2.997 1.00 0.00 AP1 ATOM 874 CG2 ILE A 58 26.178 32.135 -1.693 1.00 0.00 AP1 C ATOM 875 HG21 ILE A 58 27.179 32.563 -1.477 1.00 0.00 AP1 ATOM 876 HG22 ILE A 58 25.714 32.751 -2.492 1.00 0.00 AP1 ATOM 877 HG23 ILE A 58 25.558 32.224 -0.776 1.00 0.00 AP1 ATOM 878 CG1 ILE A 58 26.751 29.724 -0.985 1.00 0.00 AP1 C ATOM 879 HG11 ILE A 58 26.113 29.892 -0.089 1.00 0.00 AP1 ATOM 880 HG12 ILE A 58 26.599 28.667 -1.304 1.00 0.00 AP1 ATOM 881 CD ILE A 58 28.246 29.954 -0.641 1.00 0.00 AP1 C ATOM 882 HD1 ILE A 58 28.576 29.237 0.142 1.00 0.00 AP1 ATOM 883 HD2 ILE A 58 28.882 29.805 -1.540 1.00 0.00 AP1 ATOM 884 HD3 ILE A 58 28.413 30.983 -0.257 1.00 0.00 AP1 ATOM 885 C ILE A 58 24.204 31.163 -3.504 1.00 0.00 AP1 C ATOM 886 O ILE A 58 24.555 31.405 -4.667 1.00 0.00 AP1 O ATOM 887 N ASN A 59 23.145 31.671 -2.905 1.00 0.00 AP1 N ATOM 888 HN ASN A 59 22.958 31.512 -1.936 1.00 0.00 AP1 H ATOM 889 CA ASN A 59 22.146 32.510 -3.590 1.00 0.00 AP1 C ATOM 890 HA ASN A 59 22.078 32.091 -4.588 1.00 0.00 AP1 ATOM 891 CB ASN A 59 20.805 32.306 -2.884 1.00 0.00 AP1 C ATOM 892 HB1 ASN A 59 20.595 31.214 -2.862 1.00 0.00 AP1 ATOM 893 HB2 ASN A 59 20.866 32.654 -1.833 1.00 0.00 AP1 ATOM 894 CG ASN A 59 19.650 32.986 -3.588 1.00 0.00 AP1 C ATOM 895 OD1 ASN A 59 19.464 34.171 -3.244 1.00 0.00 AP1 O ATOM 896 ND2 ASN A 59 19.155 32.320 -4.612 1.00 0.00 AP1 N ATOM 897 HD21 ASN A 59 18.400 32.740 -5.109 1.00 0.00 AP1 H ATOM 898 HD22 ASN A 59 19.554 31.449 -4.879 1.00 0.00 AP1 H ATOM 899 C ASN A 59 22.550 33.974 -3.730 1.00 0.00 AP1 C ATOM 900 O ASN A 59 22.917 34.607 -2.740 1.00 0.00 AP1 O ATOM 901 N SER A 60 22.268 34.485 -4.941 1.00 0.00 AP1 N ATOM 902 HN SER A 60 21.853 33.978 -5.696 1.00 0.00 AP1 H ATOM 903 CA SER A 60 22.570 35.910 -5.255 1.00 0.00 AP1 C ATOM 904 HA SER A 60 23.565 36.038 -4.849 1.00 0.00 AP1 ATOM 905 CB SER A 60 22.643 36.139 -6.750 1.00 0.00 AP1 C ATOM 906 HB1 SER A 60 22.997 37.181 -6.924 1.00 0.00 AP1 ATOM 907 HB2 SER A 60 23.394 35.458 -7.210 1.00 0.00 AP1 ATOM 908 OG SER A 60 21.432 36.007 -7.444 1.00 0.00 AP1 O ATOM 909 HG1 SER A 60 21.565 36.389 -8.321 1.00 0.00 AP1 H ATOM 910 C SER A 60 21.687 36.993 -4.642 1.00 0.00 AP1 C ATOM 911 O SER A 60 22.054 38.177 -4.774 1.00 0.00 AP1 O ATOM 912 N ARG A 61 20.526 36.660 -4.138 1.00 0.00 AP1 N ATOM 913 HN ARG A 61 20.160 35.735 -4.206 1.00 0.00 AP1 H ATOM 914 CA ARG A 61 19.691 37.653 -3.434 1.00 0.00 AP1 C ATOM 915 HA ARG A 61 19.635 38.532 -4.065 1.00 0.00 AP1 ATOM 916 CB ARG A 61 18.267 37.195 -3.250 1.00 0.00 AP1 C ATOM 917 HB1 ARG A 61 17.971 36.696 -4.204 1.00 0.00 AP1 ATOM 918 HB2 ARG A 61 18.228 36.406 -2.467 1.00 0.00 AP1 ATOM 919 CG ARG A 61 17.315 38.350 -2.959 1.00 0.00 AP1 C ATOM 920 HG1 ARG A 61 17.807 39.041 -2.240 1.00 0.00 AP1 ATOM 921 HG2 ARG A 61 17.169 38.942 -3.891 1.00 0.00 AP1 ATOM 922 CD ARG A 61 16.063 37.657 -2.503 1.00 0.00 AP1 C ATOM 923 HD1 ARG A 61 15.642 37.060 -3.345 1.00 0.00 AP1 ATOM 924 HD2 ARG A 61 16.263 36.973 -1.645 1.00 0.00 AP1 ATOM 925 NE ARG A 61 15.101 38.653 -2.063 1.00 0.00 AP1 N ATOM 926 HE ARG A 61 15.531 39.508 -1.752 1.00 0.00 AP1 H ATOM 927 CZ ARG A 61 13.794 38.351 -2.111 1.00 0.00 AP1 C ATOM 928 NH1 ARG A 61 13.439 37.257 -2.784 1.00 0.00 AP1 N ATOM 929 HH11 ARG A 61 12.485 37.005 -2.870 1.00 0.00 AP1 H ATOM 930 HH12 ARG A 61 14.166 36.798 -3.299 1.00 0.00 AP1 H ATOM 931 NH2 ARG A 61 12.925 39.249 -1.646 1.00 0.00 AP1 N ATOM 932 HH21 ARG A 61 11.963 39.021 -1.588 1.00 0.00 AP1 H ATOM 933 HH22 ARG A 61 13.302 40.038 -1.180 1.00 0.00 AP1 H ATOM 934 C ARG A 61 20.277 38.108 -2.106 1.00 0.00 AP1 C ATOM 935 O ARG A 61 20.282 39.333 -1.876 1.00 0.00 AP1 O ATOM 936 N TRP A 62 20.773 37.202 -1.273 1.00 0.00 AP1 N ATOM 937 HN TRP A 62 20.801 36.229 -1.487 1.00 0.00 AP1 H ATOM 938 CA TRP A 62 21.321 37.563 0.032 1.00 0.00 AP1 C ATOM 939 HA TRP A 62 20.943 38.557 0.241 1.00 0.00 AP1 ATOM 940 CB TRP A 62 20.833 36.611 1.134 1.00 0.00 AP1 C ATOM 941 HB1 TRP A 62 21.345 35.633 0.991 1.00 0.00 AP1 ATOM 942 HB2 TRP A 62 21.144 36.995 2.130 1.00 0.00 AP1 ATOM 943 CG TRP A 62 19.360 36.361 1.096 1.00 0.00 AP1 C ATOM 944 CD1 TRP A 62 18.719 35.247 0.643 1.00 0.00 AP1 C ATOM 945 HD1 TRP A 62 19.218 34.323 0.382 1.00 0.00 AP1 H ATOM 946 NE1 TRP A 62 17.360 35.457 0.609 1.00 0.00 AP1 N ATOM 947 HE1 TRP A 62 16.684 34.815 0.318 1.00 0.00 AP1 H ATOM 948 CE2 TRP A 62 17.090 36.696 1.096 1.00 0.00 AP1 C ATOM 949 CD2 TRP A 62 18.326 37.305 1.427 1.00 0.00 AP1 C ATOM 950 CE3 TRP A 62 18.333 38.584 1.965 1.00 0.00 AP1 C ATOM 951 HE3 TRP A 62 19.254 39.097 2.205 1.00 0.00 AP1 H ATOM 952 CZ3 TRP A 62 17.115 39.208 2.186 1.00 0.00 AP1 C ATOM 953 HZ3 TRP A 62 17.094 40.182 2.655 1.00 0.00 AP1 H ATOM 954 CZ2 TRP A 62 15.875 37.327 1.307 1.00 0.00 AP1 C ATOM 955 HZ2 TRP A 62 14.930 36.853 1.093 1.00 0.00 AP1 H ATOM 956 CH2 TRP A 62 15.906 38.611 1.814 1.00 0.00 AP1 C ATOM 957 HH2 TRP A 62 14.983 39.163 1.924 1.00 0.00 AP1 H ATOM 958 C TRP A 62 22.848 37.643 0.101 1.00 0.00 AP1 C ATOM 959 O TRP A 62 23.323 38.396 0.968 1.00 0.00 AP1 O ATOM 960 N TRP A 63 23.537 36.731 -0.584 1.00 0.00 AP1 N ATOM 961 HN TRP A 63 23.142 36.228 -1.349 1.00 0.00 AP1 H ATOM 962 CA TRP A 63 24.906 36.398 -0.276 1.00 0.00 AP1 C ATOM 963 HA TRP A 63 24.999 36.775 0.735 1.00 0.00 AP1 ATOM 964 CB TRP A 63 25.068 34.919 0.112 1.00 0.00 AP1 C ATOM 965 HB1 TRP A 63 24.979 34.311 -0.816 1.00 0.00 AP1 ATOM 966 HB2 TRP A 63 26.089 34.744 0.515 1.00 0.00 AP1 ATOM 967 CG TRP A 63 24.036 34.428 1.068 1.00 0.00 AP1 C ATOM 968 CD1 TRP A 63 22.959 33.620 0.777 1.00 0.00 AP1 C ATOM 969 HD1 TRP A 63 22.746 33.239 -0.213 1.00 0.00 AP1 H ATOM 970 NE1 TRP A 63 22.243 33.344 1.899 1.00 0.00 AP1 N ATOM 971 HE1 TRP A 63 21.503 32.711 1.980 1.00 0.00 AP1 H ATOM 972 CE2 TRP A 63 22.761 34.067 2.931 1.00 0.00 AP1 C ATOM 973 CD2 TRP A 63 23.919 34.728 2.450 1.00 0.00 AP1 C ATOM 974 CE3 TRP A 63 24.694 35.480 3.323 1.00 0.00 AP1 C ATOM 975 HE3 TRP A 63 25.590 35.989 2.996 1.00 0.00 AP1 H ATOM 976 CZ3 TRP A 63 24.302 35.586 4.648 1.00 0.00 AP1 C ATOM 977 HZ3 TRP A 63 24.876 36.205 5.324 1.00 0.00 AP1 H ATOM 978 CZ2 TRP A 63 22.393 34.133 4.278 1.00 0.00 AP1 C ATOM 979 HZ2 TRP A 63 21.537 33.607 4.672 1.00 0.00 AP1 H ATOM 980 CH2 TRP A 63 23.179 34.910 5.117 1.00 0.00 AP1 C ATOM 981 HH2 TRP A 63 22.906 34.989 6.160 1.00 0.00 AP1 H ATOM 982 C TRP A 63 26.089 36.924 -1.052 1.00 0.00 AP1 C ATOM 983 O TRP A 63 27.142 37.177 -0.432 1.00 0.00 AP1 O ATOM 984 N CYS A 64 25.962 36.914 -2.353 1.00 0.00 AP1 N ATOM 985 HN CYS A 64 25.148 36.546 -2.799 1.00 0.00 AP1 H ATOM 986 CA CYS A 64 26.985 37.433 -3.271 1.00 0.00 AP1 C ATOM 987 HA CYS A 64 27.675 38.029 -2.685 1.00 0.00 AP1 ATOM 988 CB CYS A 64 27.638 36.265 -3.988 1.00 0.00 AP1 C ATOM 989 HB1 CYS A 64 28.418 36.686 -4.662 1.00 0.00 AP1 ATOM 990 HB2 CYS A 64 28.178 35.626 -3.255 1.00 0.00 AP1 ATOM 991 SG CYS A 64 26.562 35.233 -5.007 1.00 0.00 AP1 S ATOM 992 C CYS A 64 26.324 38.355 -4.286 1.00 0.00 AP1 C ATOM 993 O CYS A 64 25.102 38.314 -4.475 1.00 0.00 AP1 O ATOM 994 N ASN A 65 27.157 39.165 -4.908 1.00 0.00 AP1 N ATOM 995 HN ASN A 65 28.142 39.177 -4.738 1.00 0.00 AP1 H ATOM 996 CA ASN A 65 26.700 40.134 -5.920 1.00 0.00 AP1 C ATOM 997 HA ASN A 65 25.623 40.193 -5.802 1.00 0.00 AP1 ATOM 998 CB ASN A 65 27.381 41.492 -5.712 1.00 0.00 AP1 C ATOM 999 HB1 ASN A 65 27.066 41.882 -4.720 1.00 0.00 AP1 ATOM 1000 HB2 ASN A 65 28.483 41.371 -5.687 1.00 0.00 AP1 ATOM 1001 CG ASN A 65 26.910 42.423 -6.824 1.00 0.00 AP1 C ATOM 1002 OD1 ASN A 65 25.736 42.559 -7.141 1.00 0.00 AP1 O ATOM 1003 ND2 ASN A 65 27.914 42.938 -7.527 1.00 0.00 AP1 N ATOM 1004 HD21 ASN A 65 27.681 43.566 -8.265 1.00 0.00 AP1 H ATOM 1005 HD22 ASN A 65 28.854 42.716 -7.289 1.00 0.00 AP1 H ATOM 1006 C ASN A 65 26.985 39.646 -7.342 1.00 0.00 AP1 C ATOM 1007 O ASN A 65 28.130 39.316 -7.647 1.00 0.00 AP1 O ATOM 1008 N ASP A 66 25.920 39.484 -8.116 1.00 0.00 AP1 N ATOM 1009 HN ASP A 66 24.961 39.543 -7.850 1.00 0.00 AP1 H ATOM 1010 CA ASP A 66 26.102 39.180 -9.545 1.00 0.00 AP1 C ATOM 1011 HA ASP A 66 27.168 39.053 -9.693 1.00 0.00 AP1 ATOM 1012 CB ASP A 66 25.462 37.858 -9.894 1.00 0.00 AP1 C ATOM 1013 HB1 ASP A 66 25.742 37.579 -10.930 1.00 0.00 AP1 ATOM 1014 HB2 ASP A 66 25.816 37.060 -9.211 1.00 0.00 AP1 ATOM 1015 CG ASP A 66 23.951 37.903 -9.833 1.00 0.00 AP1 C ATOM 1016 OD1 ASP A 66 23.288 38.898 -9.542 1.00 0.00 AP1 O ATOM 1017 OD2 ASP A 66 23.455 36.769 -10.048 1.00 0.00 AP1 O ATOM 1018 C ASP A 66 25.664 40.317 -10.460 1.00 0.00 AP1 C ATOM 1019 O ASP A 66 25.719 40.143 -11.673 1.00 0.00 AP1 O ATOM 1020 N GLY A 67 25.234 41.408 -9.860 1.00 0.00 AP1 N ATOM 1021 HN GLY A 67 25.175 41.458 -8.864 1.00 0.00 AP1 H ATOM 1022 CA GLY A 67 24.817 42.607 -10.577 1.00 0.00 AP1 C ATOM 1023 HA1 GLY A 67 25.641 42.812 -11.247 1.00 0.00 AP1 ATOM 1024 HA2 GLY A 67 24.681 43.348 -9.801 1.00 0.00 AP1 ATOM 1025 C GLY A 67 23.544 42.553 -11.401 1.00 0.00 AP1 C ATOM 1026 O GLY A 67 23.191 43.542 -12.055 1.00 0.00 AP1 O ATOM 1027 N ARG A 68 22.822 41.441 -11.348 1.00 0.00 AP1 N ATOM 1028 HN ARG A 68 23.106 40.655 -10.804 1.00 0.00 AP1 H ATOM 1029 CA ARG A 68 21.560 41.308 -12.092 1.00 0.00 AP1 C ATOM 1030 HA ARG A 68 21.262 42.300 -12.410 1.00 0.00 AP1 ATOM 1031 CB ARG A 68 21.746 40.454 -13.339 1.00 0.00 AP1 C ATOM 1032 HB1 ARG A 68 20.754 40.424 -13.851 1.00 0.00 AP1 ATOM 1033 HB2 ARG A 68 22.438 40.968 -14.042 1.00 0.00 AP1 ATOM 1034 CG ARG A 68 22.197 39.048 -12.946 1.00 0.00 AP1 C ATOM 1035 HG1 ARG A 68 23.072 39.135 -12.265 1.00 0.00 AP1 ATOM 1036 HG2 ARG A 68 21.395 38.566 -12.341 1.00 0.00 AP1 ATOM 1037 CD ARG A 68 22.477 38.187 -14.122 1.00 0.00 AP1 C ATOM 1038 HD1 ARG A 68 22.536 38.819 -15.038 1.00 0.00 AP1 ATOM 1039 HD2 ARG A 68 23.439 37.636 -14.006 1.00 0.00 AP1 ATOM 1040 NE ARG A 68 21.439 37.201 -14.281 1.00 0.00 AP1 N ATOM 1041 HE ARG A 68 21.676 36.309 -13.879 1.00 0.00 AP1 H ATOM 1042 CZ ARG A 68 20.242 37.255 -14.855 1.00 0.00 AP1 C ATOM 1043 NH1 ARG A 68 19.503 38.311 -15.145 1.00 0.00 AP1 N ATOM 1044 HH11 ARG A 68 18.608 38.203 -15.555 1.00 0.00 AP1 H ATOM 1045 HH12 ARG A 68 19.836 39.193 -14.805 1.00 0.00 AP1 H ATOM 1046 NH2 ARG A 68 19.897 36.127 -15.497 1.00 0.00 AP1 N ATOM 1047 HH21 ARG A 68 19.063 36.097 -16.029 1.00 0.00 AP1 H ATOM 1048 HH22 ARG A 68 20.596 35.430 -15.585 1.00 0.00 AP1 H ATOM 1049 C ARG A 68 20.424 40.765 -11.243 1.00 0.00 AP1 C ATOM 1050 O ARG A 68 19.385 40.383 -11.795 1.00 0.00 AP1 O ATOM 1051 N THR A 69 20.590 40.896 -9.952 1.00 0.00 AP1 N ATOM 1052 HN THR A 69 21.391 41.334 -9.546 1.00 0.00 AP1 H ATOM 1053 CA THR A 69 19.607 40.408 -8.973 1.00 0.00 AP1 C ATOM 1054 HA THR A 69 18.805 39.955 -9.540 1.00 0.00 AP1 ATOM 1055 CB THR A 69 20.208 39.384 -7.910 1.00 0.00 AP1 C ATOM 1056 HB THR A 69 20.981 39.951 -7.336 1.00 0.00 AP1 ATOM 1057 OG1 THR A 69 20.851 38.334 -8.715 1.00 0.00 AP1 O ATOM 1058 HG1 THR A 69 21.207 37.705 -8.079 1.00 0.00 AP1 H ATOM 1059 CG2 THR A 69 19.123 38.863 -6.955 1.00 0.00 AP1 C ATOM 1060 HG21 THR A 69 19.570 38.241 -6.151 1.00 0.00 AP1 ATOM 1061 HG22 THR A 69 18.590 39.711 -6.475 1.00 0.00 AP1 ATOM 1062 HG23 THR A 69 18.376 38.245 -7.497 1.00 0.00 AP1 ATOM 1063 C THR A 69 18.994 41.597 -8.224 1.00 0.00 AP1 C ATOM 1064 O THR A 69 19.683 42.241 -7.425 1.00 0.00 AP1 O ATOM 1065 N PRO A 70 17.687 41.741 -8.418 1.00 0.00 AP1 N ATOM 1066 CD PRO A 70 16.887 41.095 -9.463 1.00 0.00 AP1 C ATOM 1067 HD1 PRO A 70 16.473 40.112 -9.141 1.00 0.00 AP1 ATOM 1068 HD2 PRO A 70 17.452 40.956 -10.413 1.00 0.00 AP1 ATOM 1069 CA PRO A 70 16.953 42.824 -7.733 1.00 0.00 AP1 C ATOM 1070 HA PRO A 70 17.403 43.796 -7.897 1.00 0.00 AP1 ATOM 1071 CB PRO A 70 15.557 42.749 -8.333 1.00 0.00 AP1 C ATOM 1072 HB1 PRO A 70 15.112 43.758 -8.488 1.00 0.00 AP1 ATOM 1073 HB2 PRO A 70 14.871 42.122 -7.721 1.00 0.00 AP1 ATOM 1074 CG PRO A 70 15.759 42.092 -9.671 1.00 0.00 AP1 C ATOM 1075 HG1 PRO A 70 15.995 42.858 -10.436 1.00 0.00 AP1 ATOM 1076 HG2 PRO A 70 14.845 41.548 -10.003 1.00 0.00 AP1 ATOM 1077 C PRO A 70 16.955 42.520 -6.242 1.00 0.00 AP1 C ATOM 1078 O PRO A 70 16.739 41.356 -5.886 1.00 0.00 AP1 O ATOM 1079 N GLY A 71 17.163 43.493 -5.401 1.00 0.00 AP1 N ATOM 1080 HN GLY A 71 17.361 44.404 -5.762 1.00 0.00 AP1 H ATOM 1081 CA GLY A 71 17.135 43.383 -3.947 1.00 0.00 AP1 C ATOM 1082 HA1 GLY A 71 16.255 42.793 -3.730 1.00 0.00 AP1 ATOM 1083 HA2 GLY A 71 17.086 44.402 -3.588 1.00 0.00 AP1 ATOM 1084 C GLY A 71 18.328 42.710 -3.287 1.00 0.00 AP1 C ATOM 1085 O GLY A 71 18.257 42.257 -2.126 1.00 0.00 AP1 O ATOM 1086 N SER A 72 19.418 42.627 -4.018 1.00 0.00 AP1 N ATOM 1087 HN SER A 72 19.456 43.017 -4.938 1.00 0.00 AP1 H ATOM 1088 CA SER A 72 20.665 41.976 -3.588 1.00 0.00 AP1 C ATOM 1089 HA SER A 72 20.423 40.939 -3.395 1.00 0.00 AP1 ATOM 1090 CB SER A 72 21.659 42.002 -4.737 1.00 0.00 AP1 C ATOM 1091 HB1 SER A 72 21.411 41.164 -5.428 1.00 0.00 AP1 ATOM 1092 HB2 SER A 72 21.556 42.947 -5.318 1.00 0.00 AP1 ATOM 1093 OG SER A 72 23.015 41.835 -4.343 1.00 0.00 AP1 O ATOM 1094 HG1 SER A 72 23.521 41.644 -5.143 1.00 0.00 AP1 H ATOM 1095 C SER A 72 21.139 42.582 -2.276 1.00 0.00 AP1 C ATOM 1096 O SER A 72 21.055 43.819 -2.125 1.00 0.00 AP1 O ATOM 1097 N ARG A 73 21.646 41.775 -1.369 1.00 0.00 AP1 N ATOM 1098 HN ARG A 73 21.617 40.794 -1.546 1.00 0.00 AP1 H ATOM 1099 CA ARG A 73 22.254 42.196 -0.113 1.00 0.00 AP1 C ATOM 1100 HA ARG A 73 22.030 43.253 -0.028 1.00 0.00 AP1 ATOM 1101 CB ARG A 73 21.615 41.555 1.127 1.00 0.00 AP1 C ATOM 1102 HB1 ARG A 73 21.612 40.453 0.946 1.00 0.00 AP1 ATOM 1103 HB2 ARG A 73 22.271 41.719 2.010 1.00 0.00 AP1 ATOM 1104 CG ARG A 73 20.187 41.983 1.439 1.00 0.00 AP1 C ATOM 1105 HG1 ARG A 73 19.599 41.968 0.495 1.00 0.00 AP1 ATOM 1106 HG2 ARG A 73 19.715 41.218 2.097 1.00 0.00 AP1 ATOM 1107 CD ARG A 73 20.209 43.299 2.123 1.00 0.00 AP1 C ATOM 1108 HD1 ARG A 73 20.895 43.249 2.999 1.00 0.00 AP1 ATOM 1109 HD2 ARG A 73 20.558 44.109 1.441 1.00 0.00 AP1 ATOM 1110 NE ARG A 73 18.928 43.771 2.617 1.00 0.00 AP1 N ATOM 1111 HE ARG A 73 18.823 43.660 3.612 1.00 0.00 AP1 H ATOM 1112 CZ ARG A 73 17.980 44.302 1.823 1.00 0.00 AP1 C ATOM 1113 NH1 ARG A 73 17.841 43.934 0.544 1.00 0.00 AP1 N ATOM 1114 HH11 ARG A 73 17.153 44.356 -0.030 1.00 0.00 AP1 H ATOM 1115 HH12 ARG A 73 18.548 43.325 0.178 1.00 0.00 AP1 H ATOM 1116 NH2 ARG A 73 17.571 45.545 2.146 1.00 0.00 AP1 N ATOM 1117 HH21 ARG A 73 16.816 45.959 1.657 1.00 0.00 AP1 H ATOM 1118 HH22 ARG A 73 17.905 45.918 3.002 1.00 0.00 AP1 H ATOM 1119 C ARG A 73 23.774 42.058 0.029 1.00 0.00 AP1 C ATOM 1120 O ARG A 73 24.425 42.749 0.849 1.00 0.00 AP1 O ATOM 1121 N ASN A 74 24.346 41.143 -0.705 1.00 0.00 AP1 N ATOM 1122 HN ASN A 74 23.806 40.587 -1.336 1.00 0.00 AP1 H ATOM 1123 CA ASN A 74 25.780 40.833 -0.695 1.00 0.00 AP1 C ATOM 1124 HA ASN A 74 25.874 39.858 -1.161 1.00 0.00 AP1 ATOM 1125 CB ASN A 74 26.565 41.786 -1.589 1.00 0.00 AP1 C ATOM 1126 HB1 ASN A 74 26.021 41.872 -2.555 1.00 0.00 AP1 ATOM 1127 HB2 ASN A 74 26.601 42.798 -1.136 1.00 0.00 AP1 ATOM 1128 CG ASN A 74 27.982 41.328 -1.909 1.00 0.00 AP1 C ATOM 1129 OD1 ASN A 74 28.318 40.169 -1.652 1.00 0.00 AP1 O ATOM 1130 ND2 ASN A 74 28.838 42.192 -2.436 1.00 0.00 AP1 N ATOM 1131 HD21 ASN A 74 29.754 41.860 -2.645 1.00 0.00 AP1 H ATOM 1132 HD22 ASN A 74 28.547 43.123 -2.635 1.00 0.00 AP1 H ATOM 1133 C ASN A 74 26.315 40.718 0.731 1.00 0.00 AP1 C ATOM 1134 O ASN A 74 27.255 41.471 1.060 1.00 0.00 AP1 O ATOM 1135 N LEU A 75 25.723 39.860 1.544 1.00 0.00 AP1 N ATOM 1136 HN LEU A 75 24.957 39.279 1.278 1.00 0.00 AP1 H ATOM 1137 CA LEU A 75 26.153 39.690 2.930 1.00 0.00 AP1 C ATOM 1138 HA LEU A 75 26.240 40.693 3.328 1.00 0.00 AP1 ATOM 1139 CB LEU A 75 25.009 39.055 3.733 1.00 0.00 AP1 C ATOM 1140 HB1 LEU A 75 24.660 38.164 3.161 1.00 0.00 AP1 ATOM 1141 HB2 LEU A 75 25.414 38.665 4.693 1.00 0.00 AP1 ATOM 1142 CG LEU A 75 23.815 39.998 3.979 1.00 0.00 AP1 C ATOM 1143 HG LEU A 75 23.627 40.596 3.055 1.00 0.00 AP1 ATOM 1144 CD1 LEU A 75 22.574 39.193 4.336 1.00 0.00 AP1 C ATOM 1145 HD11 LEU A 75 21.722 39.870 4.561 1.00 0.00 AP1 ATOM 1146 HD12 LEU A 75 22.281 38.531 3.493 1.00 0.00 AP1 ATOM 1147 HD13 LEU A 75 22.760 38.560 5.230 1.00 0.00 AP1 ATOM 1148 CD2 LEU A 75 24.156 40.969 5.110 1.00 0.00 AP1 C ATOM 1149 HD21 LEU A 75 23.310 41.668 5.286 1.00 0.00 AP1 ATOM 1150 HD22 LEU A 75 24.356 40.436 6.061 1.00 0.00 AP1 ATOM 1151 HD23 LEU A 75 25.055 41.569 4.850 1.00 0.00 AP1 ATOM 1152 C LEU A 75 27.518 39.011 3.085 1.00 0.00 AP1 C ATOM 1153 O LEU A 75 28.167 39.197 4.141 1.00 0.00 AP1 O ATOM 1154 N CYS A 76 27.973 38.312 2.061 1.00 0.00 AP1 N ATOM 1155 HN CYS A 76 27.472 38.166 1.210 1.00 0.00 AP1 H ATOM 1156 CA CYS A 76 29.299 37.680 2.111 1.00 0.00 AP1 C ATOM 1157 HA CYS A 76 29.502 37.490 3.158 1.00 0.00 AP1 ATOM 1158 CB CYS A 76 29.396 36.303 1.477 1.00 0.00 AP1 C ATOM 1159 HB1 CYS A 76 28.918 36.367 0.474 1.00 0.00 AP1 ATOM 1160 HB2 CYS A 76 30.463 36.047 1.293 1.00 0.00 AP1 ATOM 1161 SG CYS A 76 28.595 34.961 2.361 1.00 0.00 AP1 S ATOM 1162 C CYS A 76 30.390 38.598 1.589 1.00 0.00 AP1 C ATOM 1163 O CYS A 76 31.573 38.229 1.568 1.00 0.00 AP1 O ATOM 1164 N ASN A 77 29.964 39.681 0.971 1.00 0.00 AP1 N ATOM 1165 HN ASN A 77 28.985 39.847 0.862 1.00 0.00 AP1 H ATOM 1166 CA ASN A 77 30.827 40.725 0.395 1.00 0.00 AP1 C ATOM 1167 HA ASN A 77 30.156 41.446 -0.060 1.00 0.00 AP1 ATOM 1168 CB ASN A 77 31.589 41.488 1.483 1.00 0.00 AP1 C ATOM 1169 HB1 ASN A 77 30.879 41.695 2.314 1.00 0.00 AP1 ATOM 1170 HB2 ASN A 77 32.407 40.861 1.892 1.00 0.00 AP1 ATOM 1171 CG ASN A 77 32.126 42.812 0.957 1.00 0.00 AP1 C ATOM 1172 OD1 ASN A 77 31.351 43.589 0.396 1.00 0.00 AP1 O ATOM 1173 ND2 ASN A 77 33.430 43.012 1.047 1.00 0.00 AP1 N ATOM 1174 HD21 ASN A 77 33.784 43.882 0.714 1.00 0.00 AP1 H ATOM 1175 HD22 ASN A 77 34.013 42.320 1.462 1.00 0.00 AP1 H ATOM 1176 C ASN A 77 31.711 40.163 -0.702 1.00 0.00 AP1 C ATOM 1177 O ASN A 77 32.947 40.331 -0.689 1.00 0.00 AP1 O ATOM 1178 N ILE A 78 31.149 39.408 -1.616 1.00 0.00 AP1 N ATOM 1179 HN ILE A 78 30.171 39.210 -1.627 1.00 0.00 AP1 H ATOM 1180 CA ILE A 78 31.904 38.780 -2.713 1.00 0.00 AP1 C ATOM 1181 HA ILE A 78 32.794 39.378 -2.863 1.00 0.00 AP1 ATOM 1182 CB ILE A 78 32.183 37.255 -2.384 1.00 0.00 AP1 C ATOM 1183 HB ILE A 78 32.399 36.789 -3.379 1.00 0.00 AP1 ATOM 1184 CG2 ILE A 78 33.437 37.003 -1.524 1.00 0.00 AP1 C ATOM 1185 HG21 ILE A 78 33.658 35.917 -1.464 1.00 0.00 AP1 ATOM 1186 HG22 ILE A 78 34.325 37.503 -1.963 1.00 0.00 AP1 ATOM 1187 HG23 ILE A 78 33.294 37.385 -0.491 1.00 0.00 AP1 ATOM 1188 CG1 ILE A 78 30.882 36.639 -1.851 1.00 0.00 AP1 C ATOM 1189 HG11 ILE A 78 30.570 37.165 -0.921 1.00 0.00 AP1 ATOM 1190 HG12 ILE A 78 30.075 36.794 -2.603 1.00 0.00 AP1 ATOM 1191 CD ILE A 78 30.936 35.120 -1.546 1.00 0.00 AP1 C ATOM 1192 HD1 ILE A 78 29.937 34.756 -1.222 1.00 0.00 AP1 ATOM 1193 HD2 ILE A 78 31.238 34.549 -2.450 1.00 0.00 AP1 ATOM 1194 HD3 ILE A 78 31.661 34.902 -0.733 1.00 0.00 AP1 ATOM 1195 C ILE A 78 31.099 38.850 -4.013 1.00 0.00 AP1 C ATOM 1196 O ILE A 78 29.864 38.688 -3.972 1.00 0.00 AP1 O ATOM 1197 N PRO A 79 31.828 38.795 -5.108 1.00 0.00 AP1 N ATOM 1198 CD PRO A 79 33.276 39.023 -5.215 1.00 0.00 AP1 C ATOM 1199 HD1 PRO A 79 33.856 38.210 -4.722 1.00 0.00 AP1 ATOM 1200 HD2 PRO A 79 33.571 40.000 -4.768 1.00 0.00 AP1 ATOM 1201 CA PRO A 79 31.195 38.634 -6.421 1.00 0.00 AP1 C ATOM 1202 HA PRO A 79 30.312 39.243 -6.573 1.00 0.00 AP1 ATOM 1203 CB PRO A 79 32.261 38.967 -7.445 1.00 0.00 AP1 C ATOM 1204 HB1 PRO A 79 32.065 39.955 -7.919 1.00 0.00 AP1 ATOM 1205 HB2 PRO A 79 32.325 38.177 -8.227 1.00 0.00 AP1 ATOM 1206 CG PRO A 79 33.555 39.029 -6.710 1.00 0.00 AP1 C ATOM 1207 HG1 PRO A 79 34.095 39.936 -7.045 1.00 0.00 AP1 ATOM 1208 HG2 PRO A 79 34.180 38.144 -6.970 1.00 0.00 AP1 ATOM 1209 C PRO A 79 30.792 37.146 -6.446 1.00 0.00 AP1 C ATOM 1210 O PRO A 79 31.576 36.273 -6.005 1.00 0.00 AP1 O ATOM 1211 N CYS A 80 29.629 36.908 -7.033 1.00 0.00 AP1 N ATOM 1212 HN CYS A 80 29.004 37.610 -7.368 1.00 0.00 AP1 H ATOM 1213 CA CYS A 80 29.167 35.522 -7.236 1.00 0.00 AP1 C ATOM 1214 HA CYS A 80 29.124 35.070 -6.252 1.00 0.00 AP1 ATOM 1215 CB CYS A 80 27.749 35.338 -7.747 1.00 0.00 AP1 C ATOM 1216 HB1 CYS A 80 27.712 35.760 -8.777 1.00 0.00 AP1 ATOM 1217 HB2 CYS A 80 27.524 34.254 -7.852 1.00 0.00 AP1 ATOM 1218 SG CYS A 80 26.471 36.160 -6.762 1.00 0.00 AP1 S ATOM 1219 C CYS A 80 30.150 34.716 -8.073 1.00 0.00 AP1 C ATOM 1220 O CYS A 80 30.214 33.484 -7.880 1.00 0.00 AP1 O ATOM 1221 N SER A 81 30.769 35.294 -9.083 1.00 0.00 AP1 N ATOM 1222 HN SER A 81 30.561 36.242 -9.322 1.00 0.00 AP1 H ATOM 1223 CA SER A 81 31.775 34.671 -9.933 1.00 0.00 AP1 C ATOM 1224 HA SER A 81 31.264 33.873 -10.456 1.00 0.00 AP1 ATOM 1225 CB SER A 81 32.381 35.643 -10.953 1.00 0.00 AP1 C ATOM 1226 HB1 SER A 81 33.115 35.080 -11.573 1.00 0.00 AP1 ATOM 1227 HB2 SER A 81 31.593 36.023 -11.642 1.00 0.00 AP1 ATOM 1228 OG SER A 81 33.035 36.681 -10.235 1.00 0.00 AP1 O ATOM 1229 HG1 SER A 81 33.593 37.153 -10.865 1.00 0.00 AP1 H ATOM 1230 C SER A 81 32.907 34.027 -9.109 1.00 0.00 AP1 C ATOM 1231 O SER A 81 33.338 32.939 -9.561 1.00 0.00 AP1 O ATOM 1232 N ALA A 82 33.226 34.572 -7.950 1.00 0.00 AP1 N ATOM 1233 HN ALA A 82 32.802 35.397 -7.578 1.00 0.00 AP1 H ATOM 1234 CA ALA A 82 34.272 33.963 -7.107 1.00 0.00 AP1 C ATOM 1235 HA ALA A 82 35.165 33.795 -7.698 1.00 0.00 AP1 ATOM 1236 CB ALA A 82 34.722 34.930 -6.020 1.00 0.00 AP1 C ATOM 1237 HB1 ALA A 82 35.051 35.884 -6.483 1.00 0.00 AP1 ATOM 1238 HB2 ALA A 82 33.889 35.159 -5.320 1.00 0.00 AP1 ATOM 1239 HB3 ALA A 82 35.574 34.521 -5.435 1.00 0.00 AP1 ATOM 1240 C ALA A 82 33.869 32.604 -6.540 1.00 0.00 AP1 C ATOM 1241 O ALA A 82 34.703 31.798 -6.081 1.00 0.00 AP1 O ATOM 1242 N LEU A 83 32.571 32.338 -6.519 1.00 0.00 AP1 N ATOM 1243 HN LEU A 83 31.911 33.011 -6.845 1.00 0.00 AP1 H ATOM 1244 CA LEU A 83 31.973 31.093 -6.042 1.00 0.00 AP1 C ATOM 1245 HA LEU A 83 32.551 30.803 -5.174 1.00 0.00 AP1 ATOM 1246 CB LEU A 83 30.618 31.424 -5.431 1.00 0.00 AP1 C ATOM 1247 HB1 LEU A 83 29.997 31.880 -6.236 1.00 0.00 AP1 ATOM 1248 HB2 LEU A 83 30.107 30.477 -5.148 1.00 0.00 AP1 ATOM 1249 CG LEU A 83 30.511 32.364 -4.244 1.00 0.00 AP1 C ATOM 1250 HG LEU A 83 30.969 33.327 -4.574 1.00 0.00 AP1 ATOM 1251 CD1 LEU A 83 29.040 32.573 -3.857 1.00 0.00 AP1 C ATOM 1252 HD11 LEU A 83 28.962 33.222 -2.959 1.00 0.00 AP1 ATOM 1253 HD12 LEU A 83 28.482 33.057 -4.687 1.00 0.00 AP1 ATOM 1254 HD13 LEU A 83 28.553 31.602 -3.626 1.00 0.00 AP1 ATOM 1255 CD2 LEU A 83 31.277 31.872 -3.020 1.00 0.00 AP1 C ATOM 1256 HD21 LEU A 83 31.183 32.602 -2.187 1.00 0.00 AP1 ATOM 1257 HD22 LEU A 83 30.890 30.898 -2.659 1.00 0.00 AP1 ATOM 1258 HD23 LEU A 83 32.356 31.754 -3.258 1.00 0.00 AP1 ATOM 1259 C LEU A 83 32.060 29.962 -7.049 1.00 0.00 AP1 C ATOM 1260 O LEU A 83 31.671 28.815 -6.739 1.00 0.00 AP1 O ATOM 1261 N LEU A 84 32.473 30.271 -8.267 1.00 0.00 AP1 N ATOM 1262 HN LEU A 84 32.719 31.203 -8.523 1.00 0.00 AP1 H ATOM 1263 CA LEU A 84 32.610 29.295 -9.347 1.00 0.00 AP1 C ATOM 1264 HA LEU A 84 32.039 28.430 -9.035 1.00 0.00 AP1 ATOM 1265 CB LEU A 84 31.914 29.793 -10.614 1.00 0.00 AP1 C ATOM 1266 HB1 LEU A 84 32.465 30.698 -10.958 1.00 0.00 AP1 ATOM 1267 HB2 LEU A 84 32.038 29.033 -11.417 1.00 0.00 AP1 ATOM 1268 CG LEU A 84 30.446 30.183 -10.573 1.00 0.00 AP1 C ATOM 1269 HG LEU A 84 30.258 30.900 -9.738 1.00 0.00 AP1 ATOM 1270 CD1 LEU A 84 30.014 30.771 -11.916 1.00 0.00 AP1 C ATOM 1271 HD11 LEU A 84 28.930 31.013 -11.905 1.00 0.00 AP1 ATOM 1272 HD12 LEU A 84 30.577 31.704 -12.134 1.00 0.00 AP1 ATOM 1273 HD13 LEU A 84 30.200 30.048 -12.739 1.00 0.00 AP1 ATOM 1274 CD2 LEU A 84 29.597 28.942 -10.329 1.00 0.00 AP1 C ATOM 1275 HD21 LEU A 84 28.521 29.215 -10.278 1.00 0.00 AP1 ATOM 1276 HD22 LEU A 84 29.717 28.197 -11.141 1.00 0.00 AP1 ATOM 1277 HD23 LEU A 84 29.879 28.460 -9.368 1.00 0.00 AP1 ATOM 1278 C LEU A 84 34.047 28.841 -9.570 1.00 0.00 AP1 C ATOM 1279 O LEU A 84 34.334 28.243 -10.622 1.00 0.00 AP1 O ATOM 1280 N SER A 85 34.942 29.197 -8.676 1.00 0.00 AP1 N ATOM 1281 HN SER A 85 34.729 29.793 -7.902 1.00 0.00 AP1 H ATOM 1282 CA SER A 85 36.340 28.754 -8.727 1.00 0.00 AP1 C ATOM 1283 HA SER A 85 36.674 28.957 -9.736 1.00 0.00 AP1 ATOM 1284 CB SER A 85 37.109 29.482 -7.633 1.00 0.00 AP1 C ATOM 1285 HB1 SER A 85 36.905 30.572 -7.733 1.00 0.00 AP1 ATOM 1286 HB2 SER A 85 36.742 29.171 -6.629 1.00 0.00 AP1 ATOM 1287 OG SER A 85 38.484 29.212 -7.834 1.00 0.00 AP1 O ATOM 1288 HG1 SER A 85 38.978 29.840 -7.292 1.00 0.00 AP1 H ATOM 1289 C SER A 85 36.474 27.245 -8.497 1.00 0.00 AP1 C ATOM 1290 O SER A 85 35.765 26.640 -7.681 1.00 0.00 AP1 O ATOM 1291 N SER A 86 37.619 26.742 -8.943 1.00 0.00 AP1 N ATOM 1292 HN SER A 86 38.288 27.268 -9.467 1.00 0.00 AP1 H ATOM 1293 CA SER A 86 38.008 25.343 -8.700 1.00 0.00 AP1 C ATOM 1294 HA SER A 86 37.128 24.741 -8.885 1.00 0.00 AP1 ATOM 1295 CB SER A 86 39.107 24.868 -9.650 1.00 0.00 AP1 C ATOM 1296 HB1 SER A 86 39.660 25.764 -10.015 1.00 0.00 AP1 ATOM 1297 HB2 SER A 86 39.840 24.230 -9.107 1.00 0.00 AP1 ATOM 1298 OG SER A 86 38.401 24.215 -10.691 1.00 0.00 AP1 O ATOM 1299 HG1 SER A 86 39.021 24.094 -11.421 1.00 0.00 AP1 H ATOM 1300 C SER A 86 38.388 25.153 -7.233 1.00 0.00 AP1 C ATOM 1301 O SER A 86 38.314 24.055 -6.671 1.00 0.00 AP1 O ATOM 1302 N ASP A 87 38.846 26.244 -6.668 1.00 0.00 AP1 N ATOM 1303 HN ASP A 87 38.928 27.087 -7.193 1.00 0.00 AP1 H ATOM 1304 CA ASP A 87 39.282 26.393 -5.271 1.00 0.00 AP1 C ATOM 1305 HA ASP A 87 39.685 25.452 -4.915 1.00 0.00 AP1 ATOM 1306 CB ASP A 87 40.221 27.607 -5.212 1.00 0.00 AP1 C ATOM 1307 HB1 ASP A 87 41.126 27.398 -5.817 1.00 0.00 AP1 ATOM 1308 HB2 ASP A 87 39.724 28.506 -5.628 1.00 0.00 AP1 ATOM 1309 CG ASP A 87 40.762 28.041 -3.869 1.00 0.00 AP1 C ATOM 1310 OD1 ASP A 87 40.335 27.702 -2.742 1.00 0.00 AP1 O ATOM 1311 OD2 ASP A 87 41.785 28.802 -3.933 1.00 0.00 AP1 O ATOM 1312 C ASP A 87 37.999 26.657 -4.471 1.00 0.00 AP1 C ATOM 1313 O ASP A 87 37.490 27.762 -4.712 1.00 0.00 AP1 O ATOM 1314 N ILE A 88 37.732 25.850 -3.461 1.00 0.00 AP1 N ATOM 1315 HN ILE A 88 38.273 25.067 -3.161 1.00 0.00 AP1 H ATOM 1316 CA ILE A 88 36.515 26.089 -2.658 1.00 0.00 AP1 C ATOM 1317 HA ILE A 88 35.799 26.442 -3.389 1.00 0.00 AP1 ATOM 1318 CB ILE A 88 35.993 24.736 -2.046 1.00 0.00 AP1 C ATOM 1319 HB ILE A 88 35.031 25.009 -1.543 1.00 0.00 AP1 ATOM 1320 CG2 ILE A 88 35.587 23.743 -3.163 1.00 0.00 AP1 C ATOM 1321 HG21 ILE A 88 35.077 22.857 -2.731 1.00 0.00 AP1 ATOM 1322 HG22 ILE A 88 34.886 24.219 -3.880 1.00 0.00 AP1 ATOM 1323 HG23 ILE A 88 36.478 23.391 -3.725 1.00 0.00 AP1 ATOM 1324 CG1 ILE A 88 36.920 24.200 -0.934 1.00 0.00 AP1 C ATOM 1325 HG11 ILE A 88 37.790 23.676 -1.389 1.00 0.00 AP1 ATOM 1326 HG12 ILE A 88 37.322 25.062 -0.353 1.00 0.00 AP1 ATOM 1327 CD ILE A 88 36.363 23.226 0.137 1.00 0.00 AP1 C ATOM 1328 HD1 ILE A 88 37.147 22.989 0.888 1.00 0.00 AP1 ATOM 1329 HD2 ILE A 88 35.499 23.680 0.668 1.00 0.00 AP1 ATOM 1330 HD3 ILE A 88 36.032 22.273 -0.326 1.00 0.00 AP1 ATOM 1331 C ILE A 88 36.582 27.142 -1.563 1.00 0.00 AP1 C ATOM 1332 O ILE A 88 35.600 27.315 -0.801 1.00 0.00 AP1 O ATOM 1333 N THR A 89 37.742 27.786 -1.369 1.00 0.00 AP1 N ATOM 1334 HN THR A 89 38.557 27.639 -1.928 1.00 0.00 AP1 H ATOM 1335 CA THR A 89 37.913 28.772 -0.306 1.00 0.00 AP1 C ATOM 1336 HA THR A 89 37.938 28.188 0.604 1.00 0.00 AP1 ATOM 1337 CB THR A 89 39.267 29.591 -0.423 1.00 0.00 AP1 C ATOM 1338 HB THR A 89 39.204 30.159 -1.383 1.00 0.00 AP1 ATOM 1339 OG1 THR A 89 40.339 28.592 -0.514 1.00 0.00 AP1 O ATOM 1340 HG1 THR A 89 41.157 29.098 -0.573 1.00 0.00 AP1 H ATOM 1341 CG2 THR A 89 39.419 30.553 0.766 1.00 0.00 AP1 C ATOM 1342 HG21 THR A 89 40.305 31.209 0.633 1.00 0.00 AP1 ATOM 1343 HG22 THR A 89 38.523 31.203 0.855 1.00 0.00 AP1 ATOM 1344 HG23 THR A 89 39.540 29.995 1.719 1.00 0.00 AP1 ATOM 1345 C THR A 89 36.736 29.761 -0.161 1.00 0.00 AP1 C ATOM 1346 O THR A 89 36.341 29.983 1.000 1.00 0.00 AP1 O ATOM 1347 N ALA A 90 36.507 30.482 -1.242 1.00 0.00 AP1 N ATOM 1348 HN ALA A 90 36.997 30.356 -2.104 1.00 0.00 AP1 H ATOM 1349 CA ALA A 90 35.479 31.555 -1.244 1.00 0.00 AP1 C ATOM 1350 HA ALA A 90 35.782 32.359 -0.583 1.00 0.00 AP1 ATOM 1351 CB ALA A 90 35.366 32.212 -2.617 1.00 0.00 AP1 C ATOM 1352 HB1 ALA A 90 36.360 32.597 -2.929 1.00 0.00 AP1 ATOM 1353 HB2 ALA A 90 35.027 31.481 -3.383 1.00 0.00 AP1 ATOM 1354 HB3 ALA A 90 34.655 33.066 -2.605 1.00 0.00 AP1 ATOM 1355 C ALA A 90 34.125 31.066 -0.735 1.00 0.00 AP1 C ATOM 1356 O ALA A 90 33.366 31.671 0.065 1.00 0.00 AP1 O ATOM 1357 N SER A 91 33.746 29.919 -1.296 1.00 0.00 AP1 N ATOM 1358 HN SER A 91 34.334 29.462 -1.964 1.00 0.00 AP1 H ATOM 1359 CA SER A 91 32.494 29.220 -1.024 1.00 0.00 AP1 C ATOM 1360 HA SER A 91 31.698 29.931 -1.200 1.00 0.00 AP1 ATOM 1361 CB SER A 91 32.282 28.035 -1.917 1.00 0.00 AP1 C ATOM 1362 HB1 SER A 91 33.210 27.419 -1.902 1.00 0.00 AP1 ATOM 1363 HB2 SER A 91 31.459 27.396 -1.524 1.00 0.00 AP1 ATOM 1364 OG SER A 91 32.020 28.335 -3.260 1.00 0.00 AP1 O ATOM 1365 HG1 SER A 91 32.126 27.515 -3.759 1.00 0.00 AP1 H ATOM 1366 C SER A 91 32.429 28.817 0.467 1.00 0.00 AP1 C ATOM 1367 O SER A 91 31.407 29.057 1.110 1.00 0.00 AP1 O ATOM 1368 N VAL A 92 33.502 28.211 0.953 1.00 0.00 AP1 N ATOM 1369 HN VAL A 92 34.301 27.963 0.412 1.00 0.00 AP1 H ATOM 1370 CA VAL A 92 33.595 27.846 2.381 1.00 0.00 AP1 C ATOM 1371 HA VAL A 92 32.753 27.206 2.615 1.00 0.00 AP1 ATOM 1372 CB VAL A 92 34.890 27.038 2.650 1.00 0.00 AP1 C ATOM 1373 HB VAL A 92 35.732 27.573 2.146 1.00 0.00 AP1 ATOM 1374 CG1 VAL A 92 35.125 26.987 4.151 1.00 0.00 AP1 C ATOM 1375 HG11 VAL A 92 36.027 26.380 4.380 1.00 0.00 AP1 ATOM 1376 HG12 VAL A 92 35.292 27.999 4.574 1.00 0.00 AP1 ATOM 1377 HG13 VAL A 92 34.258 26.523 4.669 1.00 0.00 AP1 ATOM 1378 CG2 VAL A 92 34.776 25.672 2.013 1.00 0.00 AP1 C ATOM 1379 HG21 VAL A 92 35.679 25.062 2.228 1.00 0.00 AP1 ATOM 1380 HG22 VAL A 92 33.887 25.132 2.404 1.00 0.00 AP1 ATOM 1381 HG23 VAL A 92 34.679 25.750 0.910 1.00 0.00 AP1 ATOM 1382 C VAL A 92 33.477 29.105 3.261 1.00 0.00 AP1 C ATOM 1383 O VAL A 92 32.716 29.020 4.244 1.00 0.00 AP1 O ATOM 1384 N ASN A 93 34.199 30.163 2.912 1.00 0.00 AP1 N ATOM 1385 HN ASN A 93 34.806 30.185 2.119 1.00 0.00 AP1 H ATOM 1386 CA ASN A 93 34.160 31.413 3.685 1.00 0.00 AP1 C ATOM 1387 HA ASN A 93 34.478 31.128 4.682 1.00 0.00 AP1 ATOM 1388 CB ASN A 93 35.168 32.472 3.247 1.00 0.00 AP1 C ATOM 1389 HB1 ASN A 93 35.116 32.554 2.139 1.00 0.00 AP1 ATOM 1390 HB2 ASN A 93 34.895 33.461 3.667 1.00 0.00 AP1 ATOM 1391 CG ASN A 93 36.582 32.083 3.642 1.00 0.00 AP1 C ATOM 1392 OD1 ASN A 93 37.546 32.671 3.120 1.00 0.00 AP1 O ATOM 1393 ND2 ASN A 93 36.710 31.188 4.631 1.00 0.00 AP1 N ATOM 1394 HD21 ASN A 93 37.635 30.936 4.904 1.00 0.00 AP1 H ATOM 1395 HD22 ASN A 93 35.901 30.825 5.082 1.00 0.00 AP1 H ATOM 1396 C ASN A 93 32.747 32.034 3.803 1.00 0.00 AP1 C ATOM 1397 O ASN A 93 32.361 32.393 4.908 1.00 0.00 AP1 O ATOM 1398 N CYS A 94 32.096 31.996 2.670 1.00 0.00 AP1 N ATOM 1399 HN CYS A 94 32.457 31.682 1.794 1.00 0.00 AP1 H ATOM 1400 CA CYS A 94 30.695 32.449 2.633 1.00 0.00 AP1 C ATOM 1401 HA CYS A 94 30.679 33.421 3.113 1.00 0.00 AP1 ATOM 1402 CB CYS A 94 30.291 32.704 1.185 1.00 0.00 AP1 C ATOM 1403 HB1 CYS A 94 31.037 33.408 0.753 1.00 0.00 AP1 ATOM 1404 HB2 CYS A 94 30.381 31.764 0.597 1.00 0.00 AP1 ATOM 1405 SG CYS A 94 28.644 33.431 1.046 1.00 0.00 AP1 S ATOM 1406 C CYS A 94 29.778 31.527 3.424 1.00 0.00 AP1 C ATOM 1407 O CYS A 94 28.973 32.025 4.236 1.00 0.00 AP1 O ATOM 1408 N ALA A 95 29.945 30.225 3.263 1.00 0.00 AP1 N ATOM 1409 HN ALA A 95 30.639 29.855 2.646 1.00 0.00 AP1 H ATOM 1410 CA ALA A 95 29.134 29.227 3.969 1.00 0.00 AP1 C ATOM 1411 HA ALA A 95 28.088 29.369 3.722 1.00 0.00 AP1 ATOM 1412 CB ALA A 95 29.495 27.794 3.612 1.00 0.00 AP1 C ATOM 1413 HB1 ALA A 95 29.390 27.645 2.516 1.00 0.00 AP1 ATOM 1414 HB2 ALA A 95 30.548 27.567 3.888 1.00 0.00 AP1 ATOM 1415 HB3 ALA A 95 28.830 27.065 4.123 1.00 0.00 AP1 ATOM 1416 C ALA A 95 29.236 29.330 5.491 1.00 0.00 AP1 C ATOM 1417 O ALA A 95 28.222 29.180 6.179 1.00 0.00 AP1 O ATOM 1418 N LYS A 96 30.424 29.628 5.987 1.00 0.00 AP1 N ATOM 1419 HN LYS A 96 31.248 29.678 5.424 1.00 0.00 AP1 H ATOM 1420 CA LYS A 96 30.627 29.912 7.419 1.00 0.00 AP1 C ATOM 1421 HA LYS A 96 30.276 29.040 7.958 1.00 0.00 AP1 ATOM 1422 CB LYS A 96 32.100 30.112 7.775 1.00 0.00 AP1 C ATOM 1423 HB1 LYS A 96 32.515 30.852 7.052 1.00 0.00 AP1 ATOM 1424 HB2 LYS A 96 32.169 30.585 8.780 1.00 0.00 AP1 ATOM 1425 CG LYS A 96 32.874 28.792 7.697 1.00 0.00 AP1 C ATOM 1426 HG1 LYS A 96 32.507 28.107 8.495 1.00 0.00 AP1 ATOM 1427 HG2 LYS A 96 32.662 28.305 6.717 1.00 0.00 AP1 ATOM 1428 CD LYS A 96 34.358 29.071 7.879 1.00 0.00 AP1 C ATOM 1429 HD1 LYS A 96 34.700 29.718 7.039 1.00 0.00 AP1 ATOM 1430 HD2 LYS A 96 34.489 29.651 8.822 1.00 0.00 AP1 ATOM 1431 CE LYS A 96 35.205 27.816 7.938 1.00 0.00 AP1 C ATOM 1432 HE1 LYS A 96 34.866 27.156 8.767 1.00 0.00 AP1 ATOM 1433 HE2 LYS A 96 35.130 27.249 6.984 1.00 0.00 AP1 ATOM 1434 NZ LYS A 96 36.610 28.242 8.169 1.00 0.00 AP1 N ATOM 1435 HZ1 LYS A 96 37.231 27.409 8.218 1.00 0.00 AP1 H ATOM 1436 HZ2 LYS A 96 36.919 28.858 7.389 1.00 0.00 AP1 H ATOM 1437 HZ3 LYS A 96 36.669 28.769 9.064 1.00 0.00 AP1 H ATOM 1438 C LYS A 96 29.802 31.115 7.906 1.00 0.00 AP1 C ATOM 1439 O LYS A 96 29.296 31.011 9.027 1.00 0.00 AP1 O ATOM 1440 N LYS A 97 29.660 32.101 7.049 1.00 0.00 AP1 N ATOM 1441 HN LYS A 97 30.096 32.136 6.151 1.00 0.00 AP1 H ATOM 1442 CA LYS A 97 28.811 33.263 7.379 1.00 0.00 AP1 C ATOM 1443 HA LYS A 97 29.075 33.567 8.385 1.00 0.00 AP1 ATOM 1444 CB LYS A 97 29.087 34.456 6.470 1.00 0.00 AP1 C ATOM 1445 HB1 LYS A 97 28.854 34.135 5.428 1.00 0.00 AP1 ATOM 1446 HB2 LYS A 97 28.369 35.271 6.714 1.00 0.00 AP1 ATOM 1447 CG LYS A 97 30.537 34.927 6.563 1.00 0.00 AP1 C ATOM 1448 HG1 LYS A 97 30.745 35.264 7.604 1.00 0.00 AP1 ATOM 1449 HG2 LYS A 97 31.212 34.066 6.352 1.00 0.00 AP1 ATOM 1450 CD LYS A 97 30.841 36.073 5.610 1.00 0.00 AP1 C ATOM 1451 HD1 LYS A 97 30.398 35.831 4.617 1.00 0.00 AP1 ATOM 1452 HD2 LYS A 97 30.328 36.986 5.991 1.00 0.00 AP1 ATOM 1453 CE LYS A 97 32.340 36.293 5.510 1.00 0.00 AP1 C ATOM 1454 HE1 LYS A 97 32.784 36.418 6.523 1.00 0.00 AP1 ATOM 1455 HE2 LYS A 97 32.830 35.426 5.015 1.00 0.00 AP1 ATOM 1456 NZ LYS A 97 32.569 37.524 4.708 1.00 0.00 AP1 N ATOM 1457 HZ1 LYS A 97 33.589 37.707 4.620 1.00 0.00 AP1 H ATOM 1458 HZ2 LYS A 97 32.156 37.403 3.761 1.00 0.00 AP1 H ATOM 1459 HZ3 LYS A 97 32.114 38.332 5.178 1.00 0.00 AP1 H ATOM 1460 C LYS A 97 27.333 32.905 7.386 1.00 0.00 AP1 C ATOM 1461 O LYS A 97 26.570 33.318 8.272 1.00 0.00 AP1 O ATOM 1462 N ILE A 98 26.897 32.127 6.416 1.00 0.00 AP1 N ATOM 1463 HN ILE A 98 27.513 31.784 5.710 1.00 0.00 AP1 H ATOM 1464 CA ILE A 98 25.520 31.693 6.266 1.00 0.00 AP1 C ATOM 1465 HA ILE A 98 24.928 32.599 6.247 1.00 0.00 AP1 ATOM 1466 CB ILE A 98 25.307 30.997 4.896 1.00 0.00 AP1 C ATOM 1467 HB ILE A 98 26.068 30.176 4.878 1.00 0.00 AP1 ATOM 1468 CG2 ILE A 98 23.887 30.386 4.817 1.00 0.00 AP1 C ATOM 1469 HG21 ILE A 98 23.783 29.756 3.909 1.00 0.00 AP1 ATOM 1470 HG22 ILE A 98 23.683 29.742 5.698 1.00 0.00 AP1 ATOM 1471 HG23 ILE A 98 23.114 31.182 4.778 1.00 0.00 AP1 ATOM 1472 CG1 ILE A 98 25.643 31.910 3.702 1.00 0.00 AP1 C ATOM 1473 HG11 ILE A 98 24.933 32.767 3.672 1.00 0.00 AP1 ATOM 1474 HG12 ILE A 98 26.663 32.333 3.847 1.00 0.00 AP1 ATOM 1475 CD ILE A 98 25.620 31.204 2.321 1.00 0.00 AP1 C ATOM 1476 HD1 ILE A 98 25.928 31.911 1.521 1.00 0.00 AP1 ATOM 1477 HD2 ILE A 98 26.320 30.341 2.310 1.00 0.00 AP1 ATOM 1478 HD3 ILE A 98 24.601 30.835 2.079 1.00 0.00 AP1 ATOM 1479 C ILE A 98 25.030 30.871 7.453 1.00 0.00 AP1 C ATOM 1480 O ILE A 98 24.059 31.254 8.126 1.00 0.00 AP1 O ATOM 1481 N VAL A 99 25.875 29.966 7.915 1.00 0.00 AP1 N ATOM 1482 HN VAL A 99 26.815 29.871 7.597 1.00 0.00 AP1 H ATOM 1483 CA VAL A 99 25.488 29.009 8.955 1.00 0.00 AP1 C ATOM 1484 HA VAL A 99 24.489 28.659 8.726 1.00 0.00 AP1 ATOM 1485 CB VAL A 99 26.398 27.774 8.859 1.00 0.00 AP1 C ATOM 1486 HB VAL A 99 26.400 27.439 7.793 1.00 0.00 AP1 ATOM 1487 CG1 VAL A 99 27.811 28.138 9.279 1.00 0.00 AP1 C ATOM 1488 HG11 VAL A 99 28.465 27.240 9.249 1.00 0.00 AP1 ATOM 1489 HG12 VAL A 99 28.258 28.895 8.602 1.00 0.00 AP1 ATOM 1490 HG13 VAL A 99 27.822 28.537 10.316 1.00 0.00 AP1 ATOM 1491 CG2 VAL A 99 25.834 26.594 9.632 1.00 0.00 AP1 C ATOM 1492 HG21 VAL A 99 26.525 25.726 9.583 1.00 0.00 AP1 ATOM 1493 HG22 VAL A 99 25.685 26.862 10.700 1.00 0.00 AP1 ATOM 1494 HG23 VAL A 99 24.858 26.270 9.215 1.00 0.00 AP1 ATOM 1495 C VAL A 99 25.431 29.697 10.316 1.00 0.00 AP1 C ATOM 1496 O VAL A 99 24.737 29.212 11.233 1.00 0.00 AP1 O ATOM 1497 N SER A 100 26.205 30.752 10.409 1.00 0.00 AP1 N ATOM 1498 HN SER A 100 26.776 31.099 9.665 1.00 0.00 AP1 H ATOM 1499 CA SER A 100 26.297 31.529 11.650 1.00 0.00 AP1 C ATOM 1500 HA SER A 100 26.209 30.818 12.461 1.00 0.00 AP1 ATOM 1501 CB SER A 100 27.647 32.194 11.723 1.00 0.00 AP1 C ATOM 1502 HB1 SER A 100 27.791 32.788 10.792 1.00 0.00 AP1 ATOM 1503 HB2 SER A 100 27.681 32.909 12.576 1.00 0.00 AP1 ATOM 1504 OG SER A 100 28.714 31.264 11.818 1.00 0.00 AP1 O ATOM 1505 HG1 SER A 100 29.529 31.748 11.635 1.00 0.00 AP1 H ATOM 1506 C SER A 100 25.124 32.495 11.765 1.00 0.00 AP1 C ATOM 1507 O SER A 100 24.995 33.131 12.820 1.00 0.00 AP1 O ATOM 1508 N ASP A 101 24.307 32.599 10.750 1.00 0.00 AP1 N ATOM 1509 HN ASP A 101 24.431 32.035 9.938 1.00 0.00 AP1 H ATOM 1510 CA ASP A 101 23.162 33.495 10.650 1.00 0.00 AP1 C ATOM 1511 HA ASP A 101 23.546 34.444 11.005 1.00 0.00 AP1 ATOM 1512 CB ASP A 101 22.806 33.854 9.207 1.00 0.00 AP1 C ATOM 1513 HB1 ASP A 101 23.682 33.661 8.556 1.00 0.00 AP1 ATOM 1514 HB2 ASP A 101 21.961 33.234 8.847 1.00 0.00 AP1 ATOM 1515 CG ASP A 101 22.426 35.320 9.009 1.00 0.00 AP1 C ATOM 1516 OD1 ASP A 101 23.248 36.223 9.266 1.00 0.00 AP1 O ATOM 1517 OD2 ASP A 101 21.276 35.519 8.551 1.00 0.00 AP1 O ATOM 1518 C ASP A 101 21.924 33.183 11.481 1.00 0.00 AP1 C ATOM 1519 O ASP A 101 21.132 34.143 11.678 1.00 0.00 AP1 O ATOM 1520 N GLY A 102 21.723 31.942 11.887 1.00 0.00 AP1 N ATOM 1521 HN GLY A 102 22.268 31.153 11.607 1.00 0.00 AP1 H ATOM 1522 CA GLY A 102 20.622 31.656 12.823 1.00 0.00 AP1 C ATOM 1523 HA1 GLY A 102 19.961 32.510 12.767 1.00 0.00 AP1 ATOM 1524 HA2 GLY A 102 21.084 31.514 13.791 1.00 0.00 AP1 ATOM 1525 C GLY A 102 19.812 30.413 12.505 1.00 0.00 AP1 C ATOM 1526 O GLY A 102 19.195 29.898 13.458 1.00 0.00 AP1 O ATOM 1527 N ASN A 103 19.805 30.005 11.244 1.00 0.00 AP1 N ATOM 1528 HN ASN A 103 20.277 30.468 10.495 1.00 0.00 AP1 H ATOM 1529 CA ASN A 103 19.076 28.799 10.848 1.00 0.00 AP1 C ATOM 1530 HA ASN A 103 18.446 28.560 11.698 1.00 0.00 AP1 ATOM 1531 CB ASN A 103 17.976 29.046 9.824 1.00 0.00 AP1 C ATOM 1532 HB1 ASN A 103 17.701 30.122 9.873 1.00 0.00 AP1 ATOM 1533 HB2 ASN A 103 18.351 28.845 8.800 1.00 0.00 AP1 ATOM 1534 CG ASN A 103 16.708 28.245 10.063 1.00 0.00 AP1 C ATOM 1535 OD1 ASN A 103 16.513 27.577 11.098 1.00 0.00 AP1 O ATOM 1536 ND2 ASN A 103 15.672 28.428 9.240 1.00 0.00 AP1 N ATOM 1537 HD21 ASN A 103 14.846 27.902 9.420 1.00 0.00 AP1 H ATOM 1538 HD22 ASN A 103 15.734 29.091 8.501 1.00 0.00 AP1 H ATOM 1539 C ASN A 103 19.990 27.600 10.597 1.00 0.00 AP1 C ATOM 1540 O ASN A 103 19.472 26.579 10.117 1.00 0.00 AP1 O ATOM 1541 N GLY A 104 21.240 27.711 10.997 1.00 0.00 AP1 N ATOM 1542 HN GLY A 104 21.625 28.539 11.403 1.00 0.00 AP1 H ATOM 1543 CA GLY A 104 22.177 26.567 10.860 1.00 0.00 AP1 C ATOM 1544 HA1 GLY A 104 21.815 25.736 11.449 1.00 0.00 AP1 ATOM 1545 HA2 GLY A 104 23.179 26.887 11.112 1.00 0.00 AP1 ATOM 1546 C GLY A 104 22.173 26.142 9.388 1.00 0.00 AP1 C ATOM 1547 O GLY A 104 22.151 27.040 8.541 1.00 0.00 AP1 O ATOM 1548 N MET A 105 22.185 24.847 9.115 1.00 0.00 AP1 N ATOM 1549 HN MET A 105 22.134 24.121 9.797 1.00 0.00 AP1 H ATOM 1550 CA MET A 105 22.278 24.370 7.724 1.00 0.00 AP1 C ATOM 1551 HA MET A 105 22.873 25.095 7.181 1.00 0.00 AP1 ATOM 1552 CB MET A 105 23.036 23.048 7.632 1.00 0.00 AP1 C ATOM 1553 HB1 MET A 105 22.603 22.372 8.406 1.00 0.00 AP1 ATOM 1554 HB2 MET A 105 22.827 22.570 6.649 1.00 0.00 AP1 ATOM 1555 CG MET A 105 24.519 23.221 7.871 1.00 0.00 AP1 C ATOM 1556 HG1 MET A 105 24.922 24.032 7.228 1.00 0.00 AP1 ATOM 1557 HG2 MET A 105 24.695 23.512 8.929 1.00 0.00 AP1 ATOM 1558 SD MET A 105 25.379 21.660 7.491 1.00 0.00 AP1 S ATOM 1559 CE MET A 105 25.369 21.706 5.703 1.00 0.00 AP1 C ATOM 1560 HE1 MET A 105 25.857 20.802 5.280 1.00 0.00 AP1 ATOM 1561 HE2 MET A 105 24.330 21.748 5.311 1.00 0.00 AP1 ATOM 1562 HE3 MET A 105 25.914 22.597 5.323 1.00 0.00 AP1 ATOM 1563 C MET A 105 20.915 24.309 7.063 1.00 0.00 AP1 C ATOM 1564 O MET A 105 20.902 23.921 5.871 1.00 0.00 AP1 O ATOM 1565 N ASN A 106 19.896 24.839 7.735 1.00 0.00 AP1 N ATOM 1566 HN ASN A 106 19.935 25.218 8.659 1.00 0.00 AP1 H ATOM 1567 CA ASN A 106 18.557 24.898 7.103 1.00 0.00 AP1 C ATOM 1568 HA ASN A 106 18.352 23.895 6.744 1.00 0.00 AP1 ATOM 1569 CB ASN A 106 17.420 25.150 8.084 1.00 0.00 AP1 C ATOM 1570 HB1 ASN A 106 17.704 26.018 8.718 1.00 0.00 AP1 ATOM 1571 HB2 ASN A 106 16.494 25.424 7.539 1.00 0.00 AP1 ATOM 1572 CG ASN A 106 17.207 23.938 8.967 1.00 0.00 AP1 C ATOM 1573 OD1 ASN A 106 16.836 22.867 8.443 1.00 0.00 AP1 O ATOM 1574 ND2 ASN A 106 17.542 24.047 10.255 1.00 0.00 AP1 N ATOM 1575 HD21 ASN A 106 17.412 23.245 10.831 1.00 0.00 AP1 H ATOM 1576 HD22 ASN A 106 17.933 24.895 10.598 1.00 0.00 AP1 H ATOM 1577 C ASN A 106 18.566 25.831 5.892 1.00 0.00 AP1 C ATOM 1578 O ASN A 106 17.678 25.748 5.021 1.00 0.00 AP1 O ATOM 1579 N ALA A 107 19.617 26.647 5.800 1.00 0.00 AP1 N ATOM 1580 HN ALA A 107 20.315 26.713 6.513 1.00 0.00 AP1 H ATOM 1581 CA ALA A 107 19.824 27.514 4.634 1.00 0.00 AP1 C ATOM 1582 HA ALA A 107 18.956 28.148 4.496 1.00 0.00 AP1 ATOM 1583 CB ALA A 107 21.060 28.374 4.877 1.00 0.00 AP1 C ATOM 1584 HB1 ALA A 107 20.919 28.978 5.799 1.00 0.00 AP1 ATOM 1585 HB2 ALA A 107 21.965 27.743 5.017 1.00 0.00 AP1 ATOM 1586 HB3 ALA A 107 21.244 29.074 4.033 1.00 0.00 AP1 ATOM 1587 C ALA A 107 20.007 26.744 3.329 1.00 0.00 AP1 C ATOM 1588 O ALA A 107 19.734 27.292 2.260 1.00 0.00 AP1 O ATOM 1589 N TRP A 108 20.371 25.465 3.434 1.00 0.00 AP1 N ATOM 1590 HN TRP A 108 20.553 25.007 4.301 1.00 0.00 AP1 H ATOM 1591 CA TRP A 108 20.532 24.624 2.241 1.00 0.00 AP1 C ATOM 1592 HA TRP A 108 20.530 25.267 1.369 1.00 0.00 AP1 ATOM 1593 CB TRP A 108 21.840 23.826 2.338 1.00 0.00 AP1 C ATOM 1594 HB1 TRP A 108 21.931 23.446 3.380 1.00 0.00 AP1 ATOM 1595 HB2 TRP A 108 21.790 22.936 1.673 1.00 0.00 AP1 ATOM 1596 CG TRP A 108 23.000 24.736 2.026 1.00 0.00 AP1 C ATOM 1597 CD1 TRP A 108 23.360 25.234 0.803 1.00 0.00 AP1 C ATOM 1598 HD1 TRP A 108 22.866 25.002 -0.131 1.00 0.00 AP1 H ATOM 1599 NE1 TRP A 108 24.414 26.102 0.952 1.00 0.00 AP1 N ATOM 1600 HE1 TRP A 108 24.864 26.581 0.229 1.00 0.00 AP1 H ATOM 1601 CE2 TRP A 108 24.711 26.237 2.272 1.00 0.00 AP1 C ATOM 1602 CD2 TRP A 108 23.798 25.437 2.991 1.00 0.00 AP1 C ATOM 1603 CE3 TRP A 108 23.833 25.426 4.379 1.00 0.00 AP1 C ATOM 1604 HE3 TRP A 108 23.149 24.824 4.962 1.00 0.00 AP1 H ATOM 1605 CZ3 TRP A 108 24.773 26.200 5.033 1.00 0.00 AP1 C ATOM 1606 HZ3 TRP A 108 24.794 26.210 6.114 1.00 0.00 AP1 H ATOM 1607 CZ2 TRP A 108 25.682 26.985 2.917 1.00 0.00 AP1 C ATOM 1608 HZ2 TRP A 108 26.411 27.573 2.382 1.00 0.00 AP1 H ATOM 1609 CH2 TRP A 108 25.691 26.960 4.298 1.00 0.00 AP1 C ATOM 1610 HH2 TRP A 108 26.435 27.548 4.818 1.00 0.00 AP1 H ATOM 1611 C TRP A 108 19.317 23.688 2.110 1.00 0.00 AP1 C ATOM 1612 O TRP A 108 19.240 22.816 2.993 1.00 0.00 AP1 O ATOM 1613 N VAL A 109 18.487 23.925 1.101 1.00 0.00 AP1 N ATOM 1614 HN VAL A 109 18.574 24.598 0.371 1.00 0.00 AP1 H ATOM 1615 CA VAL A 109 17.265 23.096 1.025 1.00 0.00 AP1 C ATOM 1616 HA VAL A 109 16.738 23.231 1.961 1.00 0.00 AP1 ATOM 1617 CB VAL A 109 16.146 23.660 0.145 1.00 0.00 AP1 C ATOM 1618 HB VAL A 109 15.829 24.637 0.587 1.00 0.00 AP1 ATOM 1619 CG1 VAL A 109 16.607 23.905 -1.285 1.00 0.00 AP1 C ATOM 1620 HG11 VAL A 109 15.762 24.276 -1.904 1.00 0.00 AP1 ATOM 1621 HG12 VAL A 109 17.411 24.668 -1.331 1.00 0.00 AP1 ATOM 1622 HG13 VAL A 109 16.982 22.965 -1.743 1.00 0.00 AP1 ATOM 1623 CG2 VAL A 109 14.901 22.783 0.136 1.00 0.00 AP1 C ATOM 1624 HG21 VAL A 109 14.129 23.204 -0.543 1.00 0.00 AP1 ATOM 1625 HG22 VAL A 109 15.149 21.756 -0.210 1.00 0.00 AP1 ATOM 1626 HG23 VAL A 109 14.453 22.711 1.149 1.00 0.00 AP1 ATOM 1627 C VAL A 109 17.573 21.611 0.884 1.00 0.00 AP1 C ATOM 1628 O VAL A 109 16.923 20.811 1.587 1.00 0.00 AP1 O ATOM 1629 N ALA A 110 18.562 21.308 0.075 1.00 0.00 AP1 N ATOM 1630 HN ALA A 110 19.092 22.027 -0.375 1.00 0.00 AP1 H ATOM 1631 CA ALA A 110 18.972 19.935 -0.237 1.00 0.00 AP1 C ATOM 1632 HA ALA A 110 18.127 19.347 -0.577 1.00 0.00 AP1 ATOM 1633 CB ALA A 110 19.857 19.777 -1.455 1.00 0.00 AP1 C ATOM 1634 HB1 ALA A 110 19.378 20.266 -2.330 1.00 0.00 AP1 ATOM 1635 HB2 ALA A 110 20.847 20.257 -1.294 1.00 0.00 AP1 ATOM 1636 HB3 ALA A 110 20.020 18.707 -1.707 1.00 0.00 AP1 ATOM 1637 C ALA A 110 19.502 19.244 1.006 1.00 0.00 AP1 C ATOM 1638 O ALA A 110 19.197 18.046 1.174 1.00 0.00 AP1 O ATOM 1639 N TRP A 111 20.121 19.983 1.892 1.00 0.00 AP1 N ATOM 1640 HN TRP A 111 20.333 20.939 1.705 1.00 0.00 AP1 H ATOM 1641 CA TRP A 111 20.551 19.500 3.202 1.00 0.00 AP1 C ATOM 1642 HA TRP A 111 21.147 18.609 3.046 1.00 0.00 AP1 ATOM 1643 CB TRP A 111 21.486 20.451 3.925 1.00 0.00 AP1 C ATOM 1644 HB1 TRP A 111 22.404 20.562 3.306 1.00 0.00 AP1 ATOM 1645 HB2 TRP A 111 21.021 21.458 3.995 1.00 0.00 AP1 ATOM 1646 CG TRP A 111 21.858 19.904 5.252 1.00 0.00 AP1 C ATOM 1647 CD1 TRP A 111 22.856 18.975 5.486 1.00 0.00 AP1 C ATOM 1648 HD1 TRP A 111 23.557 18.631 4.737 1.00 0.00 AP1 H ATOM 1649 NE1 TRP A 111 22.848 18.592 6.808 1.00 0.00 AP1 N ATOM 1650 HE1 TRP A 111 23.489 18.005 7.252 1.00 0.00 AP1 H ATOM 1651 CE2 TRP A 111 21.798 19.221 7.435 1.00 0.00 AP1 C ATOM 1652 CD2 TRP A 111 21.199 20.093 6.504 1.00 0.00 AP1 C ATOM 1653 CE3 TRP A 111 20.182 20.959 6.908 1.00 0.00 AP1 C ATOM 1654 HE3 TRP A 111 19.681 21.615 6.210 1.00 0.00 AP1 H ATOM 1655 CZ3 TRP A 111 19.818 20.954 8.240 1.00 0.00 AP1 C ATOM 1656 HZ3 TRP A 111 19.031 21.614 8.579 1.00 0.00 AP1 H ATOM 1657 CZ2 TRP A 111 21.492 19.284 8.784 1.00 0.00 AP1 C ATOM 1658 HZ2 TRP A 111 22.035 18.724 9.529 1.00 0.00 AP1 H ATOM 1659 CH2 TRP A 111 20.443 20.110 9.162 1.00 0.00 AP1 C ATOM 1660 HH2 TRP A 111 20.104 20.097 10.189 1.00 0.00 AP1 H ATOM 1661 C TRP A 111 19.343 19.085 4.046 1.00 0.00 AP1 C ATOM 1662 O TRP A 111 19.284 17.986 4.643 1.00 0.00 AP1 O ATOM 1663 N ARG A 112 18.438 20.038 4.228 1.00 0.00 AP1 N ATOM 1664 HN ARG A 112 18.596 20.952 3.860 1.00 0.00 AP1 H ATOM 1665 CA ARG A 112 17.185 19.830 4.955 1.00 0.00 AP1 C ATOM 1666 HA ARG A 112 17.406 19.613 5.993 1.00 0.00 AP1 ATOM 1667 CB ARG A 112 16.214 20.990 4.944 1.00 0.00 AP1 C ATOM 1668 HB1 ARG A 112 15.697 20.959 3.955 1.00 0.00 AP1 ATOM 1669 HB2 ARG A 112 15.424 20.821 5.708 1.00 0.00 AP1 ATOM 1670 CG ARG A 112 16.592 22.438 5.091 1.00 0.00 AP1 C ATOM 1671 HG1 ARG A 112 17.243 22.545 5.986 1.00 0.00 AP1 ATOM 1672 HG2 ARG A 112 17.224 22.737 4.224 1.00 0.00 AP1 ATOM 1673 CD ARG A 112 15.368 23.296 5.135 1.00 0.00 AP1 C ATOM 1674 HD1 ARG A 112 14.593 22.804 5.767 1.00 0.00 AP1 ATOM 1675 HD2 ARG A 112 15.589 24.303 5.560 1.00 0.00 AP1 ATOM 1676 NE ARG A 112 14.776 23.555 3.836 1.00 0.00 AP1 N ATOM 1677 HE ARG A 112 14.312 22.752 3.445 1.00 0.00 AP1 H ATOM 1678 CZ ARG A 112 14.785 24.695 3.143 1.00 0.00 AP1 C ATOM 1679 NH1 ARG A 112 15.596 25.721 3.383 1.00 0.00 AP1 N ATOM 1680 HH11 ARG A 112 15.533 26.550 2.845 1.00 0.00 AP1 H ATOM 1681 HH12 ARG A 112 16.162 25.656 4.208 1.00 0.00 AP1 H ATOM 1682 NH2 ARG A 112 13.717 25.008 2.398 1.00 0.00 AP1 N ATOM 1683 HH21 ARG A 112 13.741 25.805 1.811 1.00 0.00 AP1 H ATOM 1684 HH22 ARG A 112 13.017 24.312 2.304 1.00 0.00 AP1 H ATOM 1685 C ARG A 112 16.472 18.593 4.391 1.00 0.00 AP1 C ATOM 1686 O ARG A 112 16.000 17.792 5.220 1.00 0.00 AP1 O ATOM 1687 N ASN A 113 16.307 18.521 3.074 1.00 0.00 AP1 N ATOM 1688 HN ASN A 113 16.716 19.141 2.405 1.00 0.00 AP1 H ATOM 1689 CA ASN A 113 15.464 17.463 2.491 1.00 0.00 AP1 C ATOM 1690 HA ASN A 113 14.565 17.447 3.098 1.00 0.00 AP1 ATOM 1691 CB ASN A 113 14.966 17.779 1.085 1.00 0.00 AP1 C ATOM 1692 HB1 ASN A 113 15.850 18.034 0.460 1.00 0.00 AP1 ATOM 1693 HB2 ASN A 113 14.487 16.885 0.636 1.00 0.00 AP1 ATOM 1694 CG ASN A 113 14.003 18.961 1.018 1.00 0.00 AP1 C ATOM 1695 OD1 ASN A 113 13.454 19.344 2.059 1.00 0.00 AP1 O ATOM 1696 ND2 ASN A 113 13.840 19.555 -0.159 1.00 0.00 AP1 N ATOM 1697 HD21 ASN A 113 13.219 20.333 -0.197 1.00 0.00 AP1 H ATOM 1698 HD22 ASN A 113 14.351 19.238 -0.952 1.00 0.00 AP1 H ATOM 1699 C ASN A 113 16.111 16.083 2.586 1.00 0.00 AP1 C ATOM 1700 O ASN A 113 15.454 15.054 2.808 1.00 0.00 AP1 O ATOM 1701 N ARG A 114 17.401 16.041 2.355 1.00 0.00 AP1 N ATOM 1702 HN ARG A 114 17.916 16.894 2.394 1.00 0.00 AP1 H ATOM 1703 CA ARG A 114 18.156 14.836 2.042 1.00 0.00 AP1 C ATOM 1704 HA ARG A 114 17.432 14.030 2.055 1.00 0.00 AP1 ATOM 1705 CB ARG A 114 18.622 14.910 0.576 1.00 0.00 AP1 C ATOM 1706 HB1 ARG A 114 19.010 15.945 0.421 1.00 0.00 AP1 ATOM 1707 HB2 ARG A 114 19.491 14.231 0.427 1.00 0.00 AP1 ATOM 1708 CG ARG A 114 17.395 14.614 -0.300 1.00 0.00 AP1 C ATOM 1709 HG1 ARG A 114 16.850 13.748 0.136 1.00 0.00 AP1 ATOM 1710 HG2 ARG A 114 16.689 15.474 -0.237 1.00 0.00 AP1 ATOM 1711 CD ARG A 114 17.729 14.399 -1.731 1.00 0.00 AP1 C ATOM 1712 HD1 ARG A 114 18.544 13.643 -1.812 1.00 0.00 AP1 ATOM 1713 HD2 ARG A 114 16.846 14.035 -2.307 1.00 0.00 AP1 ATOM 1714 NE ARG A 114 18.153 15.677 -2.301 1.00 0.00 AP1 N ATOM 1715 HE ARG A 114 18.716 16.224 -1.671 1.00 0.00 AP1 H ATOM 1716 CZ ARG A 114 17.826 16.080 -3.535 1.00 0.00 AP1 C ATOM 1717 NH1 ARG A 114 17.378 15.225 -4.456 1.00 0.00 AP1 N ATOM 1718 HH11 ARG A 114 17.165 15.536 -5.372 1.00 0.00 AP1 H ATOM 1719 HH12 ARG A 114 17.404 14.254 -4.210 1.00 0.00 AP1 H ATOM 1720 NH2 ARG A 114 17.735 17.388 -3.796 1.00 0.00 AP1 N ATOM 1721 HH21 ARG A 114 17.410 17.694 -4.680 1.00 0.00 AP1 H ATOM 1722 HH22 ARG A 114 17.798 18.005 -3.022 1.00 0.00 AP1 H ATOM 1723 C ARG A 114 19.258 14.440 2.991 1.00 0.00 AP1 C ATOM 1724 O ARG A 114 19.505 13.217 3.097 1.00 0.00 AP1 O ATOM 1725 N CYS A 115 19.743 15.372 3.773 1.00 0.00 AP1 N ATOM 1726 HN CYS A 115 19.437 16.321 3.807 1.00 0.00 AP1 H ATOM 1727 CA CYS A 115 20.843 15.041 4.708 1.00 0.00 AP1 C ATOM 1728 HA CYS A 115 21.189 14.065 4.387 1.00 0.00 AP1 ATOM 1729 CB CYS A 115 21.991 16.018 4.426 1.00 0.00 AP1 C ATOM 1730 HB1 CYS A 115 21.619 17.041 4.662 1.00 0.00 AP1 ATOM 1731 HB2 CYS A 115 22.831 15.827 5.130 1.00 0.00 AP1 ATOM 1732 SG CYS A 115 22.563 16.009 2.739 1.00 0.00 AP1 S ATOM 1733 C CYS A 115 20.448 14.933 6.159 1.00 0.00 AP1 C ATOM 1734 O CYS A 115 20.972 14.116 6.940 1.00 0.00 AP1 O ATOM 1735 N LYS A 116 19.714 15.918 6.619 1.00 0.00 AP1 N ATOM 1736 HN LYS A 116 19.372 16.624 6.000 1.00 0.00 AP1 H ATOM 1737 CA LYS A 116 19.332 16.085 8.025 1.00 0.00 AP1 C ATOM 1738 HA LYS A 116 20.240 16.200 8.605 1.00 0.00 AP1 ATOM 1739 CB LYS A 116 18.492 17.363 8.126 1.00 0.00 AP1 C ATOM 1740 HB1 LYS A 116 19.161 18.216 7.867 1.00 0.00 AP1 ATOM 1741 HB2 LYS A 116 17.700 17.338 7.344 1.00 0.00 AP1 ATOM 1742 CG LYS A 116 17.930 17.512 9.547 1.00 0.00 AP1 C ATOM 1743 HG1 LYS A 116 17.603 16.513 9.916 1.00 0.00 AP1 ATOM 1744 HG2 LYS A 116 18.742 17.866 10.223 1.00 0.00 AP1 ATOM 1745 CD LYS A 116 16.745 18.481 9.554 1.00 0.00 AP1 C ATOM 1746 HD1 LYS A 116 16.891 19.222 8.735 1.00 0.00 AP1 ATOM 1747 HD2 LYS A 116 15.822 17.902 9.319 1.00 0.00 AP1 ATOM 1748 CE LYS A 116 16.658 19.147 10.918 1.00 0.00 AP1 C ATOM 1749 HE1 LYS A 116 16.607 18.381 11.723 1.00 0.00 AP1 ATOM 1750 HE2 LYS A 116 17.549 19.788 11.098 1.00 0.00 AP1 ATOM 1751 NZ LYS A 116 15.454 20.010 11.047 1.00 0.00 AP1 N ATOM 1752 HZ1 LYS A 116 15.428 20.446 11.991 1.00 0.00 AP1 H ATOM 1753 HZ2 LYS A 116 15.482 20.756 10.322 1.00 0.00 AP1 H ATOM 1754 HZ3 LYS A 116 14.599 19.433 10.910 1.00 0.00 AP1 H ATOM 1755 C LYS A 116 18.634 14.821 8.518 1.00 0.00 AP1 C ATOM 1756 O LYS A 116 17.819 14.234 7.785 1.00 0.00 AP1 O ATOM 1757 N GLY A 117 19.152 14.318 9.635 1.00 0.00 AP1 N ATOM 1758 HN GLY A 117 19.948 14.702 10.100 1.00 0.00 AP1 H ATOM 1759 CA GLY A 117 18.558 13.126 10.267 1.00 0.00 AP1 C ATOM 1760 HA1 GLY A 117 17.495 13.212 10.088 1.00 0.00 AP1 ATOM 1761 HA2 GLY A 117 18.839 13.184 11.310 1.00 0.00 AP1 ATOM 1762 C GLY A 117 19.018 11.781 9.733 1.00 0.00 AP1 C ATOM 1763 O GLY A 117 18.499 10.733 10.164 1.00 0.00 AP1 O ATOM 1764 N THR A 118 19.892 11.802 8.740 1.00 0.00 AP1 N ATOM 1765 HN THR A 118 20.214 12.646 8.313 1.00 0.00 AP1 H ATOM 1766 CA THR A 118 20.473 10.578 8.171 1.00 0.00 AP1 C ATOM 1767 HA THR A 118 19.868 9.751 8.519 1.00 0.00 AP1 ATOM 1768 CB THR A 118 20.440 10.571 6.598 1.00 0.00 AP1 C ATOM 1769 HB THR A 118 20.622 9.513 6.289 1.00 0.00 AP1 ATOM 1770 OG1 THR A 118 21.560 11.404 6.161 1.00 0.00 AP1 O ATOM 1771 HG1 THR A 118 21.522 11.401 5.198 1.00 0.00 AP1 H ATOM 1772 CG2 THR A 118 19.095 11.104 6.074 1.00 0.00 AP1 C ATOM 1773 HG21 THR A 118 19.028 10.993 4.971 1.00 0.00 AP1 ATOM 1774 HG22 THR A 118 18.252 10.539 6.526 1.00 0.00 AP1 ATOM 1775 HG23 THR A 118 18.966 12.179 6.323 1.00 0.00 AP1 ATOM 1776 C THR A 118 21.868 10.375 8.761 1.00 0.00 AP1 C ATOM 1777 O THR A 118 22.321 11.119 9.650 1.00 0.00 AP1 O ATOM 1778 N ASP A 119 22.392 9.213 8.431 1.00 0.00 AP1 N ATOM 1779 HN ASP A 119 21.898 8.503 7.936 1.00 0.00 AP1 H ATOM 1780 CA ASP A 119 23.768 8.830 8.756 1.00 0.00 AP1 C ATOM 1781 HA ASP A 119 24.000 9.206 9.746 1.00 0.00 AP1 ATOM 1782 CB ASP A 119 23.934 7.313 8.738 1.00 0.00 AP1 C ATOM 1783 HB1 ASP A 119 23.236 6.861 9.471 1.00 0.00 AP1 ATOM 1784 HB2 ASP A 119 23.698 6.906 7.735 1.00 0.00 AP1 ATOM 1785 CG ASP A 119 25.347 6.900 9.121 1.00 0.00 AP1 C ATOM 1786 OD1 ASP A 119 26.051 7.633 9.830 1.00 0.00 AP1 O ATOM 1787 OD2 ASP A 119 25.715 5.746 8.804 1.00 0.00 AP1 O ATOM 1788 C ASP A 119 24.713 9.543 7.779 1.00 0.00 AP1 C ATOM 1789 O ASP A 119 25.178 8.950 6.780 1.00 0.00 AP1 O ATOM 1790 N VAL A 120 24.988 10.793 8.094 1.00 0.00 AP1 N ATOM 1791 HN VAL A 120 24.598 11.241 8.894 1.00 0.00 AP1 H ATOM 1792 CA VAL A 120 25.886 11.637 7.306 1.00 0.00 AP1 C ATOM 1793 HA VAL A 120 25.526 11.573 6.287 1.00 0.00 AP1 ATOM 1794 CB VAL A 120 25.721 13.134 7.630 1.00 0.00 AP1 C ATOM 1795 HB VAL A 120 26.517 13.689 7.076 1.00 0.00 AP1 ATOM 1796 CG1 VAL A 120 24.356 13.655 7.183 1.00 0.00 AP1 C ATOM 1797 HG11 VAL A 120 24.242 14.725 7.460 1.00 0.00 AP1 ATOM 1798 HG12 VAL A 120 24.230 13.584 6.083 1.00 0.00 AP1 ATOM 1799 HG13 VAL A 120 23.538 13.084 7.673 1.00 0.00 AP1 ATOM 1800 CG2 VAL A 120 26.088 13.478 9.055 1.00 0.00 AP1 C ATOM 1801 HG21 VAL A 120 25.916 14.557 9.255 1.00 0.00 AP1 ATOM 1802 HG22 VAL A 120 25.474 12.888 9.769 1.00 0.00 AP1 ATOM 1803 HG23 VAL A 120 27.158 13.266 9.257 1.00 0.00 AP1 ATOM 1804 C VAL A 120 27.342 11.199 7.304 1.00 0.00 AP1 C ATOM 1805 O VAL A 120 28.099 11.604 6.406 1.00 0.00 AP1 O ATOM 1806 N GLN A 121 27.701 10.430 8.306 1.00 0.00 AP1 N ATOM 1807 HN GLN A 121 27.097 10.236 9.077 1.00 0.00 AP1 H ATOM 1808 CA GLN A 121 29.021 9.783 8.389 1.00 0.00 AP1 C ATOM 1809 HA GLN A 121 29.749 10.585 8.368 1.00 0.00 AP1 ATOM 1810 CB GLN A 121 29.088 9.048 9.728 1.00 0.00 AP1 C ATOM 1811 HB1 GLN A 121 28.468 9.632 10.447 1.00 0.00 AP1 ATOM 1812 HB2 GLN A 121 28.595 8.054 9.628 1.00 0.00 AP1 ATOM 1813 CG GLN A 121 30.530 8.965 10.167 1.00 0.00 AP1 C ATOM 1814 HG1 GLN A 121 31.010 8.053 9.751 1.00 0.00 AP1 ATOM 1815 HG2 GLN A 121 31.102 9.845 9.807 1.00 0.00 AP1 ATOM 1816 CD GLN A 121 30.615 8.877 11.674 1.00 0.00 AP1 C ATOM 1817 OE1 GLN A 121 31.368 9.632 12.283 1.00 0.00 AP1 O ATOM 1818 NE2 GLN A 121 29.884 7.871 12.151 1.00 0.00 AP1 N ATOM 1819 HE21 GLN A 121 29.882 7.745 13.139 1.00 0.00 AP1 H ATOM 1820 HE22 GLN A 121 29.388 7.279 11.524 1.00 0.00 AP1 H ATOM 1821 C GLN A 121 29.317 8.861 7.207 1.00 0.00 AP1 C ATOM 1822 O GLN A 121 30.480 8.669 6.820 1.00 0.00 AP1 O ATOM 1823 N ALA A 122 28.300 8.271 6.576 1.00 0.00 AP1 N ATOM 1824 HN ALA A 122 27.388 8.313 6.983 1.00 0.00 AP1 H ATOM 1825 CA ALA A 122 28.390 7.548 5.311 1.00 0.00 AP1 C ATOM 1826 HA ALA A 122 28.899 6.605 5.473 1.00 0.00 AP1 ATOM 1827 CB ALA A 122 26.999 7.244 4.783 1.00 0.00 AP1 C ATOM 1828 HB1 ALA A 122 26.431 6.664 5.541 1.00 0.00 AP1 ATOM 1829 HB2 ALA A 122 26.436 8.181 4.578 1.00 0.00 AP1 ATOM 1830 HB3 ALA A 122 27.038 6.643 3.849 1.00 0.00 AP1 ATOM 1831 C ALA A 122 29.186 8.290 4.227 1.00 0.00 AP1 C ATOM 1832 O ALA A 122 30.031 7.710 3.523 1.00 0.00 AP1 O ATOM 1833 N TRP A 123 29.021 9.616 4.240 1.00 0.00 AP1 N ATOM 1834 HN TRP A 123 28.429 10.079 4.896 1.00 0.00 AP1 H ATOM 1835 CA TRP A 123 29.703 10.502 3.283 1.00 0.00 AP1 C ATOM 1836 HA TRP A 123 29.478 10.088 2.307 1.00 0.00 AP1 ATOM 1837 CB TRP A 123 29.027 11.872 3.347 1.00 0.00 AP1 C ATOM 1838 HB1 TRP A 123 29.024 12.202 4.410 1.00 0.00 AP1 ATOM 1839 HB2 TRP A 123 29.628 12.617 2.780 1.00 0.00 AP1 ATOM 1840 CG TRP A 123 27.621 11.735 2.850 1.00 0.00 AP1 C ATOM 1841 CD1 TRP A 123 26.485 11.608 3.588 1.00 0.00 AP1 C ATOM 1842 HD1 TRP A 123 26.454 11.655 4.669 1.00 0.00 AP1 H ATOM 1843 NE1 TRP A 123 25.405 11.458 2.774 1.00 0.00 AP1 N ATOM 1844 HE1 TRP A 123 24.470 11.436 3.056 1.00 0.00 AP1 H ATOM 1845 CE2 TRP A 123 25.827 11.391 1.479 1.00 0.00 AP1 C ATOM 1846 CD2 TRP A 123 27.241 11.547 1.481 1.00 0.00 AP1 C ATOM 1847 CE3 TRP A 123 27.947 11.468 0.283 1.00 0.00 AP1 C ATOM 1848 HE3 TRP A 123 29.027 11.507 0.254 1.00 0.00 AP1 H ATOM 1849 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 0.00 AP1 C ATOM 1850 HZ3 TRP A 123 27.734 11.374 -1.837 1.00 0.00 AP1 H ATOM 1851 CZ2 TRP A 123 25.111 11.184 0.311 1.00 0.00 AP1 C ATOM 1852 HZ2 TRP A 123 24.038 11.071 0.293 1.00 0.00 AP1 H ATOM 1853 CH2 TRP A 123 25.835 11.127 -0.869 1.00 0.00 AP1 C ATOM 1854 HH2 TRP A 123 25.315 10.921 -1.794 1.00 0.00 AP1 H ATOM 1855 C TRP A 123 31.218 10.581 3.392 1.00 0.00 AP1 C ATOM 1856 O TRP A 123 31.905 10.942 2.412 1.00 0.00 AP1 O ATOM 1857 N ILE A 124 31.741 10.269 4.554 1.00 0.00 AP1 N ATOM 1858 HN ILE A 124 31.195 9.997 5.344 1.00 0.00 AP1 H ATOM 1859 CA ILE A 124 33.186 10.292 4.801 1.00 0.00 AP1 C ATOM 1860 HA ILE A 124 33.598 10.703 3.888 1.00 0.00 AP1 ATOM 1861 CB ILE A 124 33.504 11.403 5.863 1.00 0.00 AP1 C ATOM 1862 HB ILE A 124 34.621 11.404 5.941 1.00 0.00 AP1 ATOM 1863 CG2 ILE A 124 33.024 12.804 5.387 1.00 0.00 AP1 C ATOM 1864 HG21 ILE A 124 33.392 13.597 6.071 1.00 0.00 AP1 ATOM 1865 HG22 ILE A 124 33.410 13.031 4.371 1.00 0.00 AP1 ATOM 1866 HG23 ILE A 124 31.915 12.856 5.361 1.00 0.00 AP1 ATOM 1867 CG1 ILE A 124 32.956 10.984 7.234 1.00 0.00 AP1 C ATOM 1868 HG11 ILE A 124 31.913 11.353 7.351 1.00 0.00 AP1 ATOM 1869 HG12 ILE A 124 32.919 9.872 7.283 1.00 0.00 AP1 ATOM 1870 CD ILE A 124 33.729 11.437 8.488 1.00 0.00 AP1 C ATOM 1871 HD1 ILE A 124 33.258 11.018 9.404 1.00 0.00 AP1 ATOM 1872 HD2 ILE A 124 34.783 11.086 8.447 1.00 0.00 AP1 ATOM 1873 HD3 ILE A 124 33.729 12.544 8.577 1.00 0.00 AP1 ATOM 1874 C ILE A 124 33.863 8.955 5.024 1.00 0.00 AP1 C ATOM 1875 O ILE A 124 35.100 8.892 5.134 1.00 0.00 AP1 O ATOM 1876 N ARG A 125 33.080 7.898 5.131 1.00 0.00 AP1 N ATOM 1877 HN ARG A 125 32.089 8.001 5.085 1.00 0.00 AP1 H ATOM 1878 CA ARG A 125 33.594 6.534 5.320 1.00 0.00 AP1 C ATOM 1879 HA ARG A 125 34.339 6.530 6.107 1.00 0.00 AP1 ATOM 1880 CB ARG A 125 32.476 5.551 5.650 1.00 0.00 AP1 C ATOM 1881 HB1 ARG A 125 31.597 5.855 5.033 1.00 0.00 AP1 ATOM 1882 HB2 ARG A 125 32.759 4.534 5.299 1.00 0.00 AP1 ATOM 1883 CG ARG A 125 32.117 5.596 7.145 1.00 0.00 AP1 C ATOM 1884 HG1 ARG A 125 33.058 5.680 7.732 1.00 0.00 AP1 ATOM 1885 HG2 ARG A 125 31.550 6.532 7.353 1.00 0.00 AP1 ATOM 1886 CD ARG A 125 31.277 4.392 7.482 1.00 0.00 AP1 C ATOM 1887 HD1 ARG A 125 30.780 4.017 6.558 1.00 0.00 AP1 ATOM 1888 HD2 ARG A 125 31.895 3.570 7.914 1.00 0.00 AP1 ATOM 1889 NE ARG A 125 30.282 4.754 8.466 1.00 0.00 AP1 N ATOM 1890 HE ARG A 125 30.656 4.832 9.397 1.00 0.00 AP1 H ATOM 1891 CZ ARG A 125 28.984 4.993 8.331 1.00 0.00 AP1 C ATOM 1892 NH1 ARG A 125 28.334 4.690 7.207 1.00 0.00 AP1 N ATOM 1893 HH11 ARG A 125 27.370 4.897 7.110 1.00 0.00 AP1 H ATOM 1894 HH12 ARG A 125 28.897 4.378 6.439 1.00 0.00 AP1 H ATOM 1895 NH2 ARG A 125 28.392 5.549 9.392 1.00 0.00 AP1 N ATOM 1896 HH21 ARG A 125 27.410 5.677 9.399 1.00 0.00 AP1 H ATOM 1897 HH22 ARG A 125 28.932 5.622 10.220 1.00 0.00 AP1 H ATOM 1898 C ARG A 125 34.311 6.113 4.036 1.00 0.00 AP1 C ATOM 1899 O ARG A 125 33.843 6.337 2.906 1.00 0.00 AP1 O ATOM 1900 N GLY A 126 35.497 5.568 4.243 1.00 0.00 AP1 N ATOM 1901 HN GLY A 126 35.920 5.467 5.143 1.00 0.00 AP1 H ATOM 1902 CA GLY A 126 36.291 5.058 3.102 1.00 0.00 AP1 C ATOM 1903 HA1 GLY A 126 35.609 4.897 2.278 1.00 0.00 AP1 ATOM 1904 HA2 GLY A 126 36.808 4.167 3.432 1.00 0.00 AP1 ATOM 1905 C GLY A 126 37.334 6.066 2.658 1.00 0.00 AP1 C ATOM 1906 O GLY A 126 38.220 5.729 1.855 1.00 0.00 AP1 O ATOM 1907 N CYS A 127 37.335 7.221 3.297 1.00 0.00 AP1 N ATOM 1908 HN CYS A 127 36.713 7.401 4.056 1.00 0.00 AP1 H ATOM 1909 CA CYS A 127 38.234 8.333 2.961 1.00 0.00 AP1 C ATOM 1910 HA CYS A 127 38.622 8.131 1.970 1.00 0.00 AP1 ATOM 1911 CB CYS A 127 37.453 9.628 2.990 1.00 0.00 AP1 C ATOM 1912 HB1 CYS A 127 37.083 9.767 4.031 1.00 0.00 AP1 ATOM 1913 HB2 CYS A 127 38.135 10.484 2.790 1.00 0.00 AP1 ATOM 1914 SG CYS A 127 36.010 9.816 1.936 1.00 0.00 AP1 S ATOM 1915 C CYS A 127 39.422 8.382 3.925 1.00 0.00 AP1 C ATOM 1916 O CYS A 127 39.206 8.267 5.138 1.00 0.00 AP1 O ATOM 1917 N ARG A 128 40.586 8.695 3.393 1.00 0.00 AP1 N ATOM 1918 HN ARG A 128 40.702 8.764 2.405 1.00 0.00 AP1 H ATOM 1919 CA ARG A 128 41.774 8.960 4.217 1.00 0.00 AP1 C ATOM 1920 HA ARG A 128 41.688 8.416 5.150 1.00 0.00 AP1 ATOM 1921 CB ARG A 128 43.047 8.304 3.707 1.00 0.00 AP1 C ATOM 1922 HB1 ARG A 128 42.953 8.256 2.596 1.00 0.00 AP1 ATOM 1923 HB2 ARG A 128 43.916 8.968 3.913 1.00 0.00 AP1 ATOM 1924 CG ARG A 128 43.231 6.886 4.280 1.00 0.00 AP1 C ATOM 1925 HG1 ARG A 128 42.251 6.362 4.248 1.00 0.00 AP1 ATOM 1926 HG2 ARG A 128 43.902 6.307 3.605 1.00 0.00 AP1 ATOM 1927 CD ARG A 128 43.833 6.911 5.651 1.00 0.00 AP1 C ATOM 1928 HD1 ARG A 128 43.291 7.654 6.280 1.00 0.00 AP1 ATOM 1929 HD2 ARG A 128 43.770 5.913 6.144 1.00 0.00 AP1 ATOM 1930 NE ARG A 128 45.246 7.263 5.636 1.00 0.00 AP1 N ATOM 1931 HE ARG A 128 45.799 6.656 5.054 1.00 0.00 AP1 H ATOM 1932 CZ ARG A 128 45.862 8.258 6.281 1.00 0.00 AP1 C ATOM 1933 NH1 ARG A 128 45.241 9.069 7.151 1.00 0.00 AP1 N ATOM 1934 HH11 ARG A 128 45.731 9.810 7.588 1.00 0.00 AP1 H ATOM 1935 HH12 ARG A 128 44.246 8.966 7.221 1.00 0.00 AP1 H ATOM 1936 NH2 ARG A 128 47.134 8.554 5.973 1.00 0.00 AP1 N ATOM 1937 HH21 ARG A 128 47.626 9.230 6.504 1.00 0.00 AP1 H ATOM 1938 HH22 ARG A 128 47.602 7.934 5.357 1.00 0.00 AP1 H ATOM 1939 C ARG A 128 41.820 10.438 4.578 1.00 0.00 AP1 C ATOM 1940 O ARG A 128 41.976 11.291 3.694 1.00 0.00 AP1 O ATOM 1941 N LEU A 129 41.289 10.715 5.771 1.00 0.00 AP1 N ATOM 1942 HN LEU A 129 40.989 10.001 6.400 1.00 0.00 AP1 H ATOM 1943 CA LEU A 129 41.094 12.084 6.273 1.00 0.00 AP1 C ATOM 1944 HA LEU A 129 41.289 12.761 5.451 1.00 0.00 AP1 ATOM 1945 CB LEU A 129 39.635 12.335 6.646 1.00 0.00 AP1 C ATOM 1946 HB1 LEU A 129 39.201 11.355 6.952 1.00 0.00 AP1 ATOM 1947 HB2 LEU A 129 39.599 12.984 7.549 1.00 0.00 AP1 ATOM 1948 CG LEU A 129 38.689 12.917 5.620 1.00 0.00 AP1 C ATOM 1949 HG LEU A 129 38.633 14.018 5.801 1.00 0.00 AP1 ATOM 1950 CD1 LEU A 129 39.112 12.657 4.191 1.00 0.00 AP1 C ATOM 1951 HD11 LEU A 129 38.359 13.063 3.482 1.00 0.00 AP1 ATOM 1952 HD12 LEU A 129 40.089 13.141 3.978 1.00 0.00 AP1 ATOM 1953 HD13 LEU A 129 39.212 11.567 4.004 1.00 0.00 AP1 ATOM 1954 CD2 LEU A 129 37.310 12.325 5.886 1.00 0.00 AP1 C ATOM 1955 HD21 LEU A 129 36.568 12.736 5.167 1.00 0.00 AP1 ATOM 1956 HD22 LEU A 129 37.309 11.222 5.776 1.00 0.00 AP1 ATOM 1957 HD23 LEU A 129 36.972 12.574 6.915 1.00 0.00 AP1 ATOM 1958 C LEU A 129 42.119 12.382 7.370 1.00 0.00 AP1 C ATOM 1959 OT1 LEU A 129 42.697 11.577 7.503 1.00 0.00 AP1 O ATOM 1960 OT2 LEU A 129 41.977 13.314 7.703 1.00 0.00 AP1 O ATOM 1961 OH2 TIP3W 5 7.978 8.652 -5.890 1.00 0.00 WT1 O ATOM 1962 H1 TIP3W 5 7.534 9.021 -6.693 1.00 0.00 WT1 H ATOM 1963 H2 TIP3W 5 7.402 8.949 -5.167 1.00 0.00 WT1 H ATOM 1964 OH2 TIP3W 7 10.343 3.446 -0.903 1.00 0.00 WT1 O ATOM 1965 H1 TIP3W 7 10.388 3.794 0.004 1.00 0.00 WT1 H ATOM 1966 H2 TIP3W 7 10.902 2.658 -0.833 1.00 0.00 WT1 H ATOM 1967 OH2 TIP3W 8 8.879 2.530 8.093 1.00 0.00 WT1 O ATOM 1968 H1 TIP3W 8 8.269 1.730 8.186 1.00 0.00 WT1 H ATOM 1969 H2 TIP3W 8 8.305 3.225 7.628 1.00 0.00 WT1 H ATOM 1970 OH2 TIP3W 15 5.285 12.577 16.773 1.00 0.00 WT1 O ATOM 1971 H1 TIP3W 15 5.447 11.833 16.172 1.00 0.00 WT1 H ATOM 1972 H2 TIP3W 15 4.929 12.109 17.566 1.00 0.00 WT1 H ATOM 1973 OH2 TIP3W 21 9.496 15.266 -9.722 1.00 0.00 WT1 O ATOM 1974 H1 TIP3W 21 10.393 15.549 -9.978 1.00 0.00 WT1 H ATOM 1975 H2 TIP3W 21 9.647 14.402 -9.304 1.00 0.00 WT1 H ATOM 1976 OH2 TIP3W 26 18.747 4.364 8.762 1.00 0.00 WT1 O ATOM 1977 H1 TIP3W 26 17.834 3.889 8.738 1.00 0.00 WT1 H ATOM 1978 H2 TIP3W 26 19.294 3.683 9.179 1.00 0.00 WT1 H ATOM 1979 OH2 TIP3W 29 12.634 12.381 -0.462 1.00 0.00 WT1 O ATOM 1980 H1 TIP3W 29 12.943 11.918 0.318 1.00 0.00 WT1 H ATOM 1981 H2 TIP3W 29 12.816 11.686 -1.149 1.00 0.00 WT1 H ATOM 1982 OH2 TIP3W 44 8.096 14.888 -20.484 1.00 0.00 WT1 O ATOM 1983 H1 TIP3W 44 8.091 13.958 -20.598 1.00 0.00 WT1 H ATOM 1984 H2 TIP3W 44 8.838 15.150 -21.013 1.00 0.00 WT1 H ATOM 1985 OH2 TIP3W 46 10.515 5.561 -3.352 1.00 0.00 WT1 O ATOM 1986 H1 TIP3W 46 11.092 5.917 -2.642 1.00 0.00 WT1 H ATOM 1987 H2 TIP3W 46 9.619 5.632 -2.994 1.00 0.00 WT1 H ATOM 1988 OH2 TIP3W 47 20.436 13.271 -17.217 1.00 0.00 WT1 O ATOM 1989 H1 TIP3W 47 20.380 12.842 -18.068 1.00 0.00 WT1 H ATOM 1990 H2 TIP3W 47 21.115 14.024 -17.349 1.00 0.00 WT1 H ATOM 1991 OH2 TIP3W 48 7.060 7.414 -12.165 1.00 0.00 WT1 O ATOM 1992 H1 TIP3W 48 6.420 6.860 -11.796 1.00 0.00 WT1 H ATOM 1993 H2 TIP3W 48 6.474 7.815 -12.832 1.00 0.00 WT1 H ATOM 1994 OH2 TIP3W 52 8.245 14.765 0.315 1.00 0.00 WT1 O ATOM 1995 H1 TIP3W 52 9.180 14.604 0.191 1.00 0.00 WT1 H ATOM 1996 H2 TIP3W 52 7.965 13.937 0.787 1.00 0.00 WT1 H ATOM 1997 OH2 TIP3W 53 7.301 9.732 6.066 1.00 0.00 WT1 O ATOM 1998 H1 TIP3W 53 7.904 9.538 5.335 1.00 0.00 WT1 H ATOM 1999 H2 TIP3W 53 6.724 10.345 5.636 1.00 0.00 WT1 H ATOM 2000 OH2 TIP3W 55 8.550 5.607 5.287 1.00 0.00 WT1 O ATOM 2001 H1 TIP3W 55 8.966 6.401 4.864 1.00 0.00 WT1 H ATOM 2002 H2 TIP3W 55 8.096 5.998 6.018 1.00 0.00 WT1 H ATOM 2003 OH2 TIP3W 56 11.482 5.569 16.787 1.00 0.00 WT1 O ATOM 2004 H1 TIP3W 56 11.350 6.120 17.533 1.00 0.00 WT1 H ATOM 2005 H2 TIP3W 56 10.554 5.326 16.469 1.00 0.00 WT1 H ATOM 2006 OH2 TIP3W 64 14.984 7.479 -16.808 1.00 0.00 WT1 O ATOM 2007 H1 TIP3W 64 15.308 7.441 -15.862 1.00 0.00 WT1 H ATOM 2008 H2 TIP3W 64 14.058 7.840 -16.719 1.00 0.00 WT1 H ATOM 2009 OH2 TIP3W 67 4.312 4.237 -7.203 1.00 0.00 WT1 O ATOM 2010 H1 TIP3W 67 4.793 4.560 -7.964 1.00 0.00 WT1 H ATOM 2011 H2 TIP3W 67 4.918 4.351 -6.447 1.00 0.00 WT1 H ATOM 2012 OH2 TIP3W 68 14.192 7.726 -6.878 1.00 0.00 WT1 O ATOM 2013 H1 TIP3W 68 13.884 8.323 -6.197 1.00 0.00 WT1 H ATOM 2014 H2 TIP3W 68 14.331 6.834 -6.505 1.00 0.00 WT1 H ATOM 2015 OH2 TIP3W 71 12.274 4.677 7.659 1.00 0.00 WT1 O ATOM 2016 H1 TIP3W 71 12.552 3.776 7.805 1.00 0.00 WT1 H ATOM 2017 H2 TIP3W 71 12.732 5.115 8.443 1.00 0.00 WT1 H ATOM 2018 OH2 TIP3W 75 28.487 12.841 16.332 1.00 0.00 WT1 O ATOM 2019 H1 TIP3W 75 27.844 12.512 15.665 1.00 0.00 WT1 H ATOM 2020 H2 TIP3W 75 29.372 12.652 15.888 1.00 0.00 WT1 H ATOM 2021 OH2 TIP3W 76 10.626 3.858 5.701 1.00 0.00 WT1 O ATOM 2022 H1 TIP3W 76 10.950 4.201 6.569 1.00 0.00 WT1 H ATOM 2023 H2 TIP3W 76 9.873 4.422 5.486 1.00 0.00 WT1 H ATOM 2024 OH2 TIP3W 87 5.971 5.251 -19.851 1.00 0.00 WT1 O ATOM 2025 H1 TIP3W 87 6.253 4.309 -19.813 1.00 0.00 WT1 H ATOM 2026 H2 TIP3W 87 5.088 5.169 -20.311 1.00 0.00 WT1 H ATOM 2027 OH2 TIP3W 88 9.131 19.173 -10.555 1.00 0.00 WT1 O ATOM 2028 H1 TIP3W 88 9.776 19.352 -9.831 1.00 0.00 WT1 H ATOM 2029 H2 TIP3W 88 9.694 19.484 -11.338 1.00 0.00 WT1 H ATOM 2030 OH2 TIP3W 90 19.332 19.425 -8.963 1.00 0.00 WT1 O ATOM 2031 H1 TIP3W 90 18.532 19.379 -8.502 1.00 0.00 WT1 H ATOM 2032 H2 TIP3W 90 18.983 19.627 -9.876 1.00 0.00 WT1 H ATOM 2033 OH2 TIP3W 94 5.649 2.352 1.020 1.00 0.00 WT1 O ATOM 2034 H1 TIP3W 94 5.149 1.995 0.293 1.00 0.00 WT1 H ATOM 2035 H2 TIP3W 94 6.085 1.647 1.344 1.00 0.00 WT1 H ATOM 2036 OH2 TIP3W 95 4.795 13.707 0.682 1.00 0.00 WT1 O ATOM 2037 H1 TIP3W 95 4.954 13.995 1.555 1.00 0.00 WT1 H ATOM 2038 H2 TIP3W 95 4.622 14.531 0.181 1.00 0.00 WT1 H ATOM 2039 OH2 TIP3W 99 14.265 16.203 19.413 1.00 0.00 WT1 O ATOM 2040 H1 TIP3W 99 13.351 16.431 19.573 1.00 0.00 WT1 H ATOM 2041 H2 TIP3W 99 14.515 15.533 20.154 1.00 0.00 WT1 H ATOM 2042 OH2 TIP3W 108 9.918 22.488 -8.835 1.00 0.00 WT1 O ATOM 2043 H1 TIP3W 108 9.150 22.192 -9.249 1.00 0.00 WT1 H ATOM 2044 H2 TIP3W 108 10.347 22.906 -9.586 1.00 0.00 WT1 H ATOM 2045 OH2 TIP3W 111 14.736 6.174 -19.390 1.00 0.00 WT1 O ATOM 2046 H1 TIP3W 111 15.071 6.971 -19.800 1.00 0.00 WT1 H ATOM 2047 H2 TIP3W 111 14.558 6.459 -18.486 1.00 0.00 WT1 H ATOM 2048 OH2 TIP3W 112 12.879 24.254 -9.583 1.00 0.00 WT1 O ATOM 2049 H1 TIP3W 112 13.433 24.112 -8.779 1.00 0.00 WT1 H ATOM 2050 H2 TIP3W 112 13.115 25.165 -9.867 1.00 0.00 WT1 H ATOM 2051 OH2 TIP3W 113 8.579 21.322 -5.529 1.00 0.00 WT1 O ATOM 2052 H1 TIP3W 113 8.459 22.250 -5.906 1.00 0.00 WT1 H ATOM 2053 H2 TIP3W 113 9.371 21.366 -5.018 1.00 0.00 WT1 H ATOM 2054 OH2 TIP3W 115 7.909 12.259 1.789 1.00 0.00 WT1 O ATOM 2055 H1 TIP3W 115 7.740 11.446 2.268 1.00 0.00 WT1 H ATOM 2056 H2 TIP3W 115 8.871 12.339 1.867 1.00 0.00 WT1 H ATOM 2057 OH2 TIP3W 116 24.262 0.531 4.370 1.00 0.00 WT1 O ATOM 2058 H1 TIP3W 116 24.724 -0.351 4.285 1.00 0.00 WT1 H ATOM 2059 H2 TIP3W 116 24.977 1.223 4.219 1.00 0.00 WT1 H ATOM 2060 OH2 TIP3W 125 26.882 4.812 -18.316 1.00 0.00 WT1 O ATOM 2061 H1 TIP3W 125 26.015 4.415 -17.964 1.00 0.00 WT1 H ATOM 2062 H2 TIP3W 125 27.261 4.229 -18.936 1.00 0.00 WT1 H ATOM 2063 OH2 TIP3W 129 12.092 26.916 -1.153 1.00 0.00 WT1 O ATOM 2064 H1 TIP3W 129 12.965 26.804 -0.680 1.00 0.00 WT1 H ATOM 2065 H2 TIP3W 129 11.979 27.865 -1.350 1.00 0.00 WT1 H ATOM 2066 OH2 TIP3W 130 15.236 3.935 -20.776 1.00 0.00 WT1 O ATOM 2067 H1 TIP3W 130 15.448 3.339 -20.040 1.00 0.00 WT1 H ATOM 2068 H2 TIP3W 130 14.967 4.782 -20.301 1.00 0.00 WT1 H ATOM 2069 OH2 TIP3W 133 12.957 2.884 -2.516 1.00 0.00 WT1 O ATOM 2070 H1 TIP3W 133 12.274 2.181 -2.468 1.00 0.00 WT1 H ATOM 2071 H2 TIP3W 133 12.353 3.634 -2.641 1.00 0.00 WT1 H ATOM 2072 OH2 TIP3W 135 8.652 9.958 3.477 1.00 0.00 WT1 O ATOM 2073 H1 TIP3W 135 9.152 9.267 3.884 1.00 0.00 WT1 H ATOM 2074 H2 TIP3W 135 9.213 10.718 3.784 1.00 0.00 WT1 H ATOM 2075 OH2 TIP3W 137 5.980 14.245 7.372 1.00 0.00 WT1 O ATOM 2076 H1 TIP3W 137 6.430 14.520 8.180 1.00 0.00 WT1 H ATOM 2077 H2 TIP3W 137 5.073 14.087 7.674 1.00 0.00 WT1 H ATOM 2078 OH2 TIP3W 145 20.780 26.659 -19.613 1.00 0.00 WT1 O ATOM 2079 H1 TIP3W 145 21.164 25.800 -19.295 1.00 0.00 WT1 H ATOM 2080 H2 TIP3W 145 19.843 26.426 -19.706 1.00 0.00 WT1 H ATOM 2081 OH2 TIP3W 149 5.112 23.654 -16.271 1.00 0.00 WT1 O ATOM 2082 H1 TIP3W 149 4.889 24.635 -16.289 1.00 0.00 WT1 H ATOM 2083 H2 TIP3W 149 6.105 23.733 -16.349 1.00 0.00 WT1 H ATOM 2084 OH2 TIP3W 150 8.609 16.344 -14.625 1.00 0.00 WT1 O ATOM 2085 H1 TIP3W 150 7.613 16.373 -14.472 1.00 0.00 WT1 H ATOM 2086 H2 TIP3W 150 8.843 17.325 -14.870 1.00 0.00 WT1 H ATOM 2087 OH2 TIP3W 152 13.202 11.547 -16.473 1.00 0.00 WT1 O ATOM 2088 H1 TIP3W 152 12.429 11.048 -16.351 1.00 0.00 WT1 H ATOM 2089 H2 TIP3W 152 13.652 11.127 -17.258 1.00 0.00 WT1 H ATOM 2090 OH2 TIP3W 153 7.018 19.539 2.710 1.00 0.00 WT1 O ATOM 2091 H1 TIP3W 153 6.899 19.515 1.762 1.00 0.00 WT1 H ATOM 2092 H2 TIP3W 153 7.433 20.405 2.755 1.00 0.00 WT1 H ATOM 2093 OH2 TIP3W 155 6.738 11.301 8.693 1.00 0.00 WT1 O ATOM 2094 H1 TIP3W 155 7.029 10.643 8.036 1.00 0.00 WT1 H ATOM 2095 H2 TIP3W 155 6.892 12.112 8.214 1.00 0.00 WT1 H ATOM 2096 OH2 TIP3W 156 15.591 30.156 2.432 1.00 0.00 WT1 O ATOM 2097 H1 TIP3W 156 15.457 29.208 2.254 1.00 0.00 WT1 H ATOM 2098 H2 TIP3W 156 16.441 30.131 2.908 1.00 0.00 WT1 H ATOM 2099 OH2 TIP3W 163 15.002 34.421 21.350 1.00 0.00 WT1 O ATOM 2100 H1 TIP3W 163 15.099 34.171 20.443 1.00 0.00 WT1 H ATOM 2101 H2 TIP3W 163 15.013 33.603 21.849 1.00 0.00 WT1 H ATOM 2102 OH2 TIP3W 167 6.484 17.038 -19.582 1.00 0.00 WT1 O ATOM 2103 H1 TIP3W 167 6.942 16.198 -19.591 1.00 0.00 WT1 H ATOM 2104 H2 TIP3W 167 7.241 17.690 -19.513 1.00 0.00 WT1 H ATOM 2105 OH2 TIP3W 174 6.122 39.198 -17.300 1.00 0.00 WT1 O ATOM 2106 H1 TIP3W 174 6.539 40.111 -17.400 1.00 0.00 WT1 H ATOM 2107 H2 TIP3W 174 6.014 39.087 -16.358 1.00 0.00 WT1 H ATOM 2108 OH2 TIP3W 177 9.358 7.616 14.784 1.00 0.00 WT1 O ATOM 2109 H1 TIP3W 177 9.374 8.459 15.265 1.00 0.00 WT1 H ATOM 2110 H2 TIP3W 177 8.932 7.794 13.949 1.00 0.00 WT1 H ATOM 2111 OH2 TIP3W 178 9.128 35.428 -4.007 1.00 0.00 WT1 O ATOM 2112 H1 TIP3W 178 8.456 34.790 -4.327 1.00 0.00 WT1 H ATOM 2113 H2 TIP3W 178 9.294 35.170 -3.109 1.00 0.00 WT1 H ATOM 2114 OH2 TIP3W 179 13.896 33.875 14.469 1.00 0.00 WT1 O ATOM 2115 H1 TIP3W 179 14.263 34.396 15.215 1.00 0.00 WT1 H ATOM 2116 H2 TIP3W 179 14.573 34.081 13.737 1.00 0.00 WT1 H ATOM 2117 OH2 TIP3W 180 16.700 25.877 15.566 1.00 0.00 WT1 O ATOM 2118 H1 TIP3W 180 16.155 26.683 15.499 1.00 0.00 WT1 H ATOM 2119 H2 TIP3W 180 16.355 25.490 16.381 1.00 0.00 WT1 H ATOM 2120 OH2 TIP3W 190 13.644 41.876 -15.791 1.00 0.00 WT1 O ATOM 2121 H1 TIP3W 190 14.165 41.264 -16.373 1.00 0.00 WT1 H ATOM 2122 H2 TIP3W 190 12.980 42.163 -16.429 1.00 0.00 WT1 H ATOM 2123 OH2 TIP3W 191 5.641 34.712 -19.093 1.00 0.00 WT1 O ATOM 2124 H1 TIP3W 191 4.675 34.701 -18.831 1.00 0.00 WT1 H ATOM 2125 H2 TIP3W 191 5.982 33.854 -18.761 1.00 0.00 WT1 H ATOM 2126 OH2 TIP3W 195 7.226 30.483 -12.816 1.00 0.00 WT1 O ATOM 2127 H1 TIP3W 195 8.083 30.957 -12.778 1.00 0.00 WT1 H ATOM 2128 H2 TIP3W 195 6.535 31.149 -12.766 1.00 0.00 WT1 H ATOM 2129 OH2 TIP3W 196 7.170 39.548 -9.839 1.00 0.00 WT1 O ATOM 2130 H1 TIP3W 196 6.679 39.883 -9.042 1.00 0.00 WT1 H ATOM 2131 H2 TIP3W 196 6.711 39.944 -10.593 1.00 0.00 WT1 H ATOM 2132 OH2 TIP3W 198 10.389 31.926 3.803 1.00 0.00 WT1 O ATOM 2133 H1 TIP3W 198 10.793 32.507 4.471 1.00 0.00 WT1 H ATOM 2134 H2 TIP3W 198 9.492 32.361 3.702 1.00 0.00 WT1 H ATOM 2135 OH2 TIP3W 201 7.832 28.264 5.481 1.00 0.00 WT1 O ATOM 2136 H1 TIP3W 201 7.289 27.809 6.241 1.00 0.00 WT1 H ATOM 2137 H2 TIP3W 201 7.200 28.820 5.093 1.00 0.00 WT1 H ATOM 2138 OH2 TIP3W 212 13.374 29.016 -4.098 1.00 0.00 WT1 O ATOM 2139 H1 TIP3W 212 14.206 28.762 -3.713 1.00 0.00 WT1 H ATOM 2140 H2 TIP3W 212 12.808 29.201 -3.303 1.00 0.00 WT1 H ATOM 2141 OH2 TIP3W 224 28.478 50.122 6.951 1.00 0.00 WT1 O ATOM 2142 H1 TIP3W 224 29.149 49.548 7.399 1.00 0.00 WT1 H ATOM 2143 H2 TIP3W 224 27.801 49.461 6.808 1.00 0.00 WT1 H ATOM 2144 OH2 TIP3W 231 15.982 31.721 19.681 1.00 0.00 WT1 O ATOM 2145 H1 TIP3W 231 15.467 30.905 19.777 1.00 0.00 WT1 H ATOM 2146 H2 TIP3W 231 16.419 31.865 20.528 1.00 0.00 WT1 H ATOM 2147 OH2 TIP3W 235 52.329 37.301 -6.435 1.00 0.00 WT1 O ATOM 2148 H1 TIP3W 235 51.477 37.241 -6.937 1.00 0.00 WT1 H ATOM 2149 H2 TIP3W 235 52.366 36.330 -6.042 1.00 0.00 WT1 H ATOM 2150 OH2 TIP3W 237 4.875 27.822 -20.211 1.00 0.00 WT1 O ATOM 2151 H1 TIP3W 237 5.773 28.132 -20.058 1.00 0.00 WT1 H ATOM 2152 H2 TIP3W 237 4.896 26.905 -20.006 1.00 0.00 WT1 H ATOM 2153 OH2 TIP3W 238 18.049 32.086 15.744 1.00 0.00 WT1 O ATOM 2154 H1 TIP3W 238 17.652 31.934 14.869 1.00 0.00 WT1 H ATOM 2155 H2 TIP3W 238 17.439 31.533 16.269 1.00 0.00 WT1 H ATOM 2156 OH2 TIP3W 242 14.425 48.511 7.530 1.00 0.00 WT1 O ATOM 2157 H1 TIP3W 242 14.923 47.778 7.192 1.00 0.00 WT1 H ATOM 2158 H2 TIP3W 242 14.812 48.662 8.361 1.00 0.00 WT1 H ATOM 2159 OH2 TIP3W 252 14.168 36.964 -16.238 1.00 0.00 WT1 O ATOM 2160 H1 TIP3W 252 13.396 36.702 -15.802 1.00 0.00 WT1 H ATOM 2161 H2 TIP3W 252 14.595 37.573 -15.711 1.00 0.00 WT1 H ATOM 2162 OH2 TIP3W 255 11.544 44.198 -19.599 1.00 0.00 WT1 O ATOM 2163 H1 TIP3W 255 12.127 43.825 -20.266 1.00 0.00 WT1 H ATOM 2164 H2 TIP3W 255 12.121 44.872 -19.237 1.00 0.00 WT1 H ATOM 2165 OH2 TIP3W 257 10.195 33.782 -14.231 1.00 0.00 WT1 O ATOM 2166 H1 TIP3W 257 9.819 34.419 -14.903 1.00 0.00 WT1 H ATOM 2167 H2 TIP3W 257 11.112 33.649 -14.482 1.00 0.00 WT1 H ATOM 2168 OH2 TIP3W 259 13.795 43.414 6.735 1.00 0.00 WT1 O ATOM 2169 H1 TIP3W 259 13.272 43.133 5.931 1.00 0.00 WT1 H ATOM 2170 H2 TIP3W 259 13.424 44.239 6.868 1.00 0.00 WT1 H ATOM 2171 OH2 TIP3W 261 5.597 22.702 1.943 1.00 0.00 WT1 O ATOM 2172 H1 TIP3W 261 5.545 22.494 2.937 1.00 0.00 WT1 H ATOM 2173 H2 TIP3W 261 6.398 23.279 1.845 1.00 0.00 WT1 H ATOM 2174 OH2 TIP3W 267 7.913 43.982 20.645 1.00 0.00 WT1 O ATOM 2175 H1 TIP3W 267 8.669 44.470 20.246 1.00 0.00 WT1 H ATOM 2176 H2 TIP3W 267 7.470 44.728 21.125 1.00 0.00 WT1 H ATOM 2177 OH2 TIP3W 281 10.892 36.350 5.606 1.00 0.00 WT1 O ATOM 2178 H1 TIP3W 281 11.150 35.474 5.421 1.00 0.00 WT1 H ATOM 2179 H2 TIP3W 281 11.493 36.612 6.346 1.00 0.00 WT1 H ATOM 2180 OH2 TIP3W 284 11.966 39.582 15.580 1.00 0.00 WT1 O ATOM 2181 H1 TIP3W 284 12.690 38.915 15.638 1.00 0.00 WT1 H ATOM 2182 H2 TIP3W 284 12.419 40.362 15.359 1.00 0.00 WT1 H ATOM 2183 OH2 TIP3W 285 9.531 44.619 4.568 1.00 0.00 WT1 O ATOM 2184 H1 TIP3W 285 9.263 44.189 5.409 1.00 0.00 WT1 H ATOM 2185 H2 TIP3W 285 10.242 44.062 4.209 1.00 0.00 WT1 H ATOM 2186 OH2 TIP3W 295 12.394 31.446 -5.970 1.00 0.00 WT1 O ATOM 2187 H1 TIP3W 295 11.453 31.525 -6.013 1.00 0.00 WT1 H ATOM 2188 H2 TIP3W 295 12.587 30.804 -5.297 1.00 0.00 WT1 H ATOM 2189 OH2 TIP3W 303 6.488 48.896 -0.456 1.00 0.00 WT1 O ATOM 2190 H1 TIP3W 303 7.387 48.542 -0.384 1.00 0.00 WT1 H ATOM 2191 H2 TIP3W 303 6.423 49.170 -1.352 1.00 0.00 WT1 H ATOM 2192 OH2 TIP3W 305 18.571 50.149 3.507 1.00 0.00 WT1 O ATOM 2193 H1 TIP3W 305 17.786 49.637 3.638 1.00 0.00 WT1 H ATOM 2194 H2 TIP3W 305 18.700 50.373 4.431 1.00 0.00 WT1 H ATOM 2195 OH2 TIP3W 306 7.196 46.489 13.526 1.00 0.00 WT1 O ATOM 2196 H1 TIP3W 306 7.452 47.158 14.209 1.00 0.00 WT1 H ATOM 2197 H2 TIP3W 306 6.302 46.206 13.703 1.00 0.00 WT1 H ATOM 2198 OH2 TIP3W 316 27.656 44.056 -16.503 1.00 0.00 WT1 O ATOM 2199 H1 TIP3W 316 26.965 43.953 -17.140 1.00 0.00 WT1 H ATOM 2200 H2 TIP3W 316 28.051 43.135 -16.380 1.00 0.00 WT1 H ATOM 2201 OH2 TIP3W 325 7.040 47.166 10.018 1.00 0.00 WT1 O ATOM 2202 H1 TIP3W 325 7.510 46.695 10.693 1.00 0.00 WT1 H ATOM 2203 H2 TIP3W 325 7.201 46.628 9.214 1.00 0.00 WT1 H ATOM 2204 OH2 TIP3W 327 9.203 36.342 22.054 1.00 0.00 WT1 O ATOM 2205 H1 TIP3W 327 9.212 35.372 22.156 1.00 0.00 WT1 H ATOM 2206 H2 TIP3W 327 9.239 36.519 21.098 1.00 0.00 WT1 H ATOM 2207 OH2 TIP3W 338 7.953 44.038 -15.561 1.00 0.00 WT1 O ATOM 2208 H1 TIP3W 338 8.036 44.710 -14.908 1.00 0.00 WT1 H ATOM 2209 H2 TIP3W 338 8.759 43.527 -15.489 1.00 0.00 WT1 H ATOM 2210 OH2 TIP3W 344 5.916 45.904 -16.454 1.00 0.00 WT1 O ATOM 2211 H1 TIP3W 344 6.382 45.050 -16.617 1.00 0.00 WT1 H ATOM 2212 H2 TIP3W 344 6.627 46.542 -16.481 1.00 0.00 WT1 H ATOM 2213 OH2 TIP3W 361 46.781 43.290 -13.078 1.00 0.00 WT1 O ATOM 2214 H1 TIP3W 361 47.205 43.921 -12.423 1.00 0.00 WT1 H ATOM 2215 H2 TIP3W 361 45.929 43.674 -13.219 1.00 0.00 WT1 H ATOM 2216 OH2 TIP3W 365 10.675 1.244 6.265 1.00 0.00 WT1 O ATOM 2217 H1 TIP3W 365 10.109 2.007 6.055 1.00 0.00 WT1 H ATOM 2218 H2 TIP3W 365 11.485 1.625 6.609 1.00 0.00 WT1 H ATOM 2219 OH2 TIP3W 367 17.856 32.407 21.644 1.00 0.00 WT1 O ATOM 2220 H1 TIP3W 367 17.448 32.803 22.433 1.00 0.00 WT1 H ATOM 2221 H2 TIP3W 367 18.366 31.712 22.050 1.00 0.00 WT1 H ATOM 2222 OH2 TIP3W 368 9.083 42.831 6.537 1.00 0.00 WT1 O ATOM 2223 H1 TIP3W 368 8.656 41.963 6.718 1.00 0.00 WT1 H ATOM 2224 H2 TIP3W 368 9.965 42.750 6.939 1.00 0.00 WT1 H ATOM 2225 OH2 TIP3W 369 10.441 42.817 17.589 1.00 0.00 WT1 O ATOM 2226 H1 TIP3W 369 9.801 42.433 18.240 1.00 0.00 WT1 H ATOM 2227 H2 TIP3W 369 9.884 43.353 16.978 1.00 0.00 WT1 H ATOM 2228 OH2 TIP3W 388 11.927 49.113 7.052 1.00 0.00 WT1 O ATOM 2229 H1 TIP3W 388 11.310 48.666 7.641 1.00 0.00 WT1 H ATOM 2230 H2 TIP3W 388 12.735 48.706 7.329 1.00 0.00 WT1 H ATOM 2231 OH2 TIP3W 393 11.258 50.023 14.941 1.00 0.00 WT1 O ATOM 2232 H1 TIP3W 393 11.091 50.607 15.695 1.00 0.00 WT1 H ATOM 2233 H2 TIP3W 393 12.159 49.794 15.196 1.00 0.00 WT1 H ATOM 2234 OH2 TIP3W 403 15.974 48.092 -17.469 1.00 0.00 WT1 O ATOM 2235 H1 TIP3W 403 15.986 47.184 -17.224 1.00 0.00 WT1 H ATOM 2236 H2 TIP3W 403 16.713 48.434 -17.037 1.00 0.00 WT1 H ATOM 2237 OH2 TIP3W 409 8.128 46.717 3.166 1.00 0.00 WT1 O ATOM 2238 H1 TIP3W 409 8.277 46.177 3.929 1.00 0.00 WT1 H ATOM 2239 H2 TIP3W 409 8.423 47.556 3.464 1.00 0.00 WT1 H ATOM 2240 OH2 TIP3W 410 49.038 50.389 8.713 1.00 0.00 WT1 O ATOM 2241 H1 TIP3W 410 49.986 50.623 8.935 1.00 0.00 WT1 H ATOM 2242 H2 TIP3W 410 48.982 50.450 7.715 1.00 0.00 WT1 H ATOM 2243 OH2 TIP3W 411 13.649 5.308 10.107 1.00 0.00 WT1 O ATOM 2244 H1 TIP3W 411 13.214 5.806 10.840 1.00 0.00 WT1 H ATOM 2245 H2 TIP3W 411 13.714 4.408 10.428 1.00 0.00 WT1 H ATOM 2246 OH2 TIP3W 424 19.724 5.139 -19.293 1.00 0.00 WT1 O ATOM 2247 H1 TIP3W 424 20.534 5.428 -19.666 1.00 0.00 WT1 H ATOM 2248 H2 TIP3W 424 19.118 5.270 -20.123 1.00 0.00 WT1 H ATOM 2249 OH2 TIP3W 432 11.881 2.368 12.301 1.00 0.00 WT1 O ATOM 2250 H1 TIP3W 432 11.276 2.974 11.700 1.00 0.00 WT1 H ATOM 2251 H2 TIP3W 432 11.756 2.665 13.234 1.00 0.00 WT1 H ATOM 2252 OH2 TIP3W 443 14.245 11.446 -11.603 1.00 0.00 WT1 O ATOM 2253 H1 TIP3W 443 14.019 10.668 -12.160 1.00 0.00 WT1 H ATOM 2254 H2 TIP3W 443 13.782 11.336 -10.776 1.00 0.00 WT1 H ATOM 2255 OH2 TIP3W 446 9.422 46.859 -9.834 1.00 0.00 WT1 O ATOM 2256 H1 TIP3W 446 9.747 45.934 -9.743 1.00 0.00 WT1 H ATOM 2257 H2 TIP3W 446 10.001 47.490 -9.370 1.00 0.00 WT1 H ATOM 2258 OH2 TIP3W 450 11.370 0.644 -1.964 1.00 0.00 WT1 O ATOM 2259 H1 TIP3W 450 11.960 0.189 -1.266 1.00 0.00 WT1 H ATOM 2260 H2 TIP3W 450 10.458 0.366 -1.759 1.00 0.00 WT1 H ATOM 2261 OH2 TIP3W 452 15.205 17.895 17.270 1.00 0.00 WT1 O ATOM 2262 H1 TIP3W 452 14.677 17.338 17.875 1.00 0.00 WT1 H ATOM 2263 H2 TIP3W 452 16.096 17.528 17.435 1.00 0.00 WT1 H ATOM 2264 OH2 TIP3W 465 18.201 0.489 -18.802 1.00 0.00 WT1 O ATOM 2265 H1 TIP3W 465 18.508 1.251 -18.372 1.00 0.00 WT1 H ATOM 2266 H2 TIP3W 465 17.522 0.147 -18.216 1.00 0.00 WT1 H ATOM 2267 OH2 TIP3W 466 13.133 9.151 -12.967 1.00 0.00 WT1 O ATOM 2268 H1 TIP3W 466 12.493 9.323 -13.646 1.00 0.00 WT1 H ATOM 2269 H2 TIP3W 466 12.699 8.631 -12.260 1.00 0.00 WT1 H ATOM 2270 OH2 TIP3W 468 13.974 50.937 -18.463 1.00 0.00 WT1 O ATOM 2271 H1 TIP3W 468 14.513 50.349 -18.975 1.00 0.00 WT1 H ATOM 2272 H2 TIP3W 468 13.717 50.429 -17.684 1.00 0.00 WT1 H ATOM 2273 OH2 TIP3W 469 13.388 10.537 -9.060 1.00 0.00 WT1 O ATOM 2274 H1 TIP3W 469 12.538 10.131 -8.801 1.00 0.00 WT1 H ATOM 2275 H2 TIP3W 469 13.822 10.764 -8.234 1.00 0.00 WT1 H ATOM 2276 OH2 TIP3W 484 14.592 -0.790 -19.741 1.00 0.00 WT1 O ATOM 2277 H1 TIP3W 484 14.677 -0.471 -18.778 1.00 0.00 WT1 H ATOM 2278 H2 TIP3W 484 14.053 -0.107 -20.127 1.00 0.00 WT1 H ATOM 2279 OH2 TIP3W 485 8.928 6.695 -14.017 1.00 0.00 WT1 O ATOM 2280 H1 TIP3W 485 9.715 6.489 -13.480 1.00 0.00 WT1 H ATOM 2281 H2 TIP3W 485 8.312 7.028 -13.372 1.00 0.00 WT1 H ATOM 2282 OH2 TIP3W 486 7.713 3.257 -11.979 1.00 0.00 WT1 O ATOM 2283 H1 TIP3W 486 7.419 3.842 -12.697 1.00 0.00 WT1 H ATOM 2284 H2 TIP3W 486 8.127 2.543 -12.467 1.00 0.00 WT1 H ATOM 2285 OH2 TIP3W 489 7.586 6.035 -2.469 1.00 0.00 WT1 O ATOM 2286 H1 TIP3W 489 7.082 5.561 -1.830 1.00 0.00 WT1 H ATOM 2287 H2 TIP3W 489 7.914 6.858 -2.041 1.00 0.00 WT1 H ATOM 2288 OH2 TIP3W 490 7.201 3.614 10.819 1.00 0.00 WT1 O ATOM 2289 H1 TIP3W 490 6.570 3.090 11.356 1.00 0.00 WT1 H ATOM 2290 H2 TIP3W 490 6.613 4.080 10.226 1.00 0.00 WT1 H ATOM 2291 OH2 TIP3W 491 6.150 6.835 6.868 1.00 0.00 WT1 O ATOM 2292 H1 TIP3W 491 5.990 6.614 5.953 1.00 0.00 WT1 H ATOM 2293 H2 TIP3W 491 6.144 7.781 6.939 1.00 0.00 WT1 H ATOM 2294 OH2 TIP3W 494 5.047 16.472 15.296 1.00 0.00 WT1 O ATOM 2295 H1 TIP3W 494 4.769 17.362 15.558 1.00 0.00 WT1 H ATOM 2296 H2 TIP3W 494 5.176 16.519 14.353 1.00 0.00 WT1 H ATOM 2297 OH2 TIP3W 495 14.288 6.445 3.154 1.00 0.00 WT1 O ATOM 2298 H1 TIP3W 495 13.899 6.196 4.051 1.00 0.00 WT1 H ATOM 2299 H2 TIP3W 495 14.746 7.226 3.393 1.00 0.00 WT1 H ATOM 2300 OH2 TIP3W 498 14.237 2.755 11.011 1.00 0.00 WT1 O ATOM 2301 H1 TIP3W 498 13.366 2.505 11.408 1.00 0.00 WT1 H ATOM 2302 H2 TIP3W 498 14.670 1.895 10.871 1.00 0.00 WT1 H ATOM 2303 OH2 TIP3W 503 7.429 8.895 -8.636 1.00 0.00 WT1 O ATOM 2304 H1 TIP3W 503 7.908 9.470 -9.282 1.00 0.00 WT1 H ATOM 2305 H2 TIP3W 503 7.750 8.000 -8.832 1.00 0.00 WT1 H ATOM 2306 OH2 TIP3W 506 6.688 4.376 -5.541 1.00 0.00 WT1 O ATOM 2307 H1 TIP3W 506 6.467 4.731 -4.695 1.00 0.00 WT1 H ATOM 2308 H2 TIP3W 506 7.611 4.602 -5.668 1.00 0.00 WT1 H ATOM 2309 OH2 TIP3W 507 10.692 20.841 -19.475 1.00 0.00 WT1 O ATOM 2310 H1 TIP3W 507 9.860 20.605 -19.947 1.00 0.00 WT1 H ATOM 2311 H2 TIP3W 507 11.169 20.042 -19.602 1.00 0.00 WT1 H ATOM 2312 OH2 TIP3W 508 36.114 11.326 -14.742 1.00 0.00 WT1 O ATOM 2313 H1 TIP3W 508 35.853 12.212 -15.063 1.00 0.00 WT1 H ATOM 2314 H2 TIP3W 508 36.601 11.500 -13.927 1.00 0.00 WT1 H ATOM 2315 OH2 TIP3W 509 8.327 2.475 -2.376 1.00 0.00 WT1 O ATOM 2316 H1 TIP3W 509 7.452 2.612 -2.662 1.00 0.00 WT1 H ATOM 2317 H2 TIP3W 509 8.892 3.297 -2.499 1.00 0.00 WT1 H ATOM 2318 OH2 TIP3W 511 6.654 19.042 -0.163 1.00 0.00 WT1 O ATOM 2319 H1 TIP3W 511 7.242 19.391 -0.849 1.00 0.00 WT1 H ATOM 2320 H2 TIP3W 511 5.777 19.118 -0.656 1.00 0.00 WT1 H ATOM 2321 OH2 TIP3W 514 15.802 4.118 13.052 1.00 0.00 WT1 O ATOM 2322 H1 TIP3W 514 15.473 3.774 12.246 1.00 0.00 WT1 H ATOM 2323 H2 TIP3W 514 15.696 5.049 13.065 1.00 0.00 WT1 H ATOM 2324 OH2 TIP3W 515 6.097 8.088 2.721 1.00 0.00 WT1 O ATOM 2325 H1 TIP3W 515 6.442 8.145 1.852 1.00 0.00 WT1 H ATOM 2326 H2 TIP3W 515 6.170 8.976 2.993 1.00 0.00 WT1 H ATOM 2327 OH2 TIP3W 516 8.437 0.440 10.967 1.00 0.00 WT1 O ATOM 2328 H1 TIP3W 516 8.140 0.842 10.195 1.00 0.00 WT1 H ATOM 2329 H2 TIP3W 516 9.040 1.132 11.304 1.00 0.00 WT1 H ATOM 2330 OH2 TIP3W 517 18.836 9.102 -1.657 1.00 0.00 WT1 O ATOM 2331 H1 TIP3W 517 18.472 8.303 -1.291 1.00 0.00 WT1 H ATOM 2332 H2 TIP3W 517 18.776 8.990 -2.600 1.00 0.00 WT1 H ATOM 2333 OH2 TIP3W 529 13.186 27.007 -16.215 1.00 0.00 WT1 O ATOM 2334 H1 TIP3W 529 13.537 26.147 -16.436 1.00 0.00 WT1 H ATOM 2335 H2 TIP3W 529 13.100 26.968 -15.261 1.00 0.00 WT1 H ATOM 2336 OH2 TIP3W 533 9.883 13.374 -2.704 1.00 0.00 WT1 O ATOM 2337 H1 TIP3W 533 10.269 13.909 -1.986 1.00 0.00 WT1 H ATOM 2338 H2 TIP3W 533 10.179 13.983 -3.463 1.00 0.00 WT1 H ATOM 2339 OH2 TIP3W 534 20.593 5.924 0.987 1.00 0.00 WT1 O ATOM 2340 H1 TIP3W 534 19.950 6.628 0.655 1.00 0.00 WT1 H ATOM 2341 H2 TIP3W 534 20.283 5.130 0.585 1.00 0.00 WT1 H ATOM 2342 OH2 TIP3W 538 14.415 -0.589 17.317 1.00 0.00 WT1 O ATOM 2343 H1 TIP3W 538 13.798 0.020 16.837 1.00 0.00 WT1 H ATOM 2344 H2 TIP3W 538 14.942 -0.012 17.911 1.00 0.00 WT1 H ATOM 2345 OH2 TIP3W 540 5.052 19.217 15.630 1.00 0.00 WT1 O ATOM 2346 H1 TIP3W 540 4.473 19.772 15.061 1.00 0.00 WT1 H ATOM 2347 H2 TIP3W 540 5.842 18.980 15.043 1.00 0.00 WT1 H ATOM 2348 OH2 TIP3W 543 9.768 11.667 -17.205 1.00 0.00 WT1 O ATOM 2349 H1 TIP3W 543 9.983 11.589 -18.182 1.00 0.00 WT1 H ATOM 2350 H2 TIP3W 543 9.209 12.464 -17.137 1.00 0.00 WT1 H ATOM 2351 OH2 TIP3W 550 8.862 -0.060 -1.464 1.00 0.00 WT1 O ATOM 2352 H1 TIP3W 550 8.584 0.764 -1.841 1.00 0.00 WT1 H ATOM 2353 H2 TIP3W 550 8.545 -0.629 -2.223 1.00 0.00 WT1 H ATOM 2354 OH2 TIP3W 551 8.904 23.836 -6.594 1.00 0.00 WT1 O ATOM 2355 H1 TIP3W 551 7.948 24.070 -6.598 1.00 0.00 WT1 H ATOM 2356 H2 TIP3W 551 9.068 23.467 -7.482 1.00 0.00 WT1 H ATOM 2357 OH2 TIP3W 552 15.276 -0.943 5.870 1.00 0.00 WT1 O ATOM 2358 H1 TIP3W 552 15.145 -0.007 5.681 1.00 0.00 WT1 H ATOM 2359 H2 TIP3W 552 14.868 -1.338 5.089 1.00 0.00 WT1 H ATOM 2360 OH2 TIP3W 553 10.890 11.562 7.897 1.00 0.00 WT1 O ATOM 2361 H1 TIP3W 553 10.740 12.456 8.178 1.00 0.00 WT1 H ATOM 2362 H2 TIP3W 553 10.739 11.069 8.687 1.00 0.00 WT1 H ATOM 2363 OH2 TIP3W 554 9.470 12.314 -13.840 1.00 0.00 WT1 O ATOM 2364 H1 TIP3W 554 10.358 11.992 -13.587 1.00 0.00 WT1 H ATOM 2365 H2 TIP3W 554 9.318 13.063 -13.266 1.00 0.00 WT1 H ATOM 2366 OH2 TIP3W 555 5.798 6.324 10.044 1.00 0.00 WT1 O ATOM 2367 H1 TIP3W 555 5.088 6.893 10.401 1.00 0.00 WT1 H ATOM 2368 H2 TIP3W 555 5.853 6.613 9.127 1.00 0.00 WT1 H ATOM 2369 OH2 TIP3W 558 14.700 4.956 -2.966 1.00 0.00 WT1 O ATOM 2370 H1 TIP3W 558 14.998 5.054 -2.063 1.00 0.00 WT1 H ATOM 2371 H2 TIP3W 558 14.154 4.159 -2.873 1.00 0.00 WT1 H ATOM 2372 OH2 TIP3W 562 5.988 20.512 -20.759 1.00 0.00 WT1 O ATOM 2373 H1 TIP3W 562 5.582 19.850 -20.202 1.00 0.00 WT1 H ATOM 2374 H2 TIP3W 562 5.808 21.379 -20.301 1.00 0.00 WT1 H ATOM 2375 OH2 TIP3W 568 13.940 20.117 -18.794 1.00 0.00 WT1 O ATOM 2376 H1 TIP3W 568 13.911 21.041 -19.151 1.00 0.00 WT1 H ATOM 2377 H2 TIP3W 568 13.597 19.524 -19.482 1.00 0.00 WT1 H ATOM 2378 OH2 TIP3W 570 5.065 32.614 -8.871 1.00 0.00 WT1 O ATOM 2379 H1 TIP3W 570 5.688 32.770 -8.138 1.00 0.00 WT1 H ATOM 2380 H2 TIP3W 570 4.641 31.791 -8.565 1.00 0.00 WT1 H ATOM 2381 OH2 TIP3W 573 8.701 27.993 -0.674 1.00 0.00 WT1 O ATOM 2382 H1 TIP3W 573 8.073 27.369 -0.283 1.00 0.00 WT1 H ATOM 2383 H2 TIP3W 573 8.904 27.614 -1.586 1.00 0.00 WT1 H ATOM 2384 OH2 TIP3W 575 6.654 9.141 -19.170 1.00 0.00 WT1 O ATOM 2385 H1 TIP3W 575 6.432 9.323 -18.241 1.00 0.00 WT1 H ATOM 2386 H2 TIP3W 575 7.257 8.361 -19.177 1.00 0.00 WT1 H ATOM 2387 OH2 TIP3W 576 6.892 26.205 0.269 1.00 0.00 WT1 O ATOM 2388 H1 TIP3W 576 6.136 25.904 0.816 1.00 0.00 WT1 H ATOM 2389 H2 TIP3W 576 6.451 26.443 -0.567 1.00 0.00 WT1 H ATOM 2390 OH2 TIP3W 578 6.929 26.617 16.026 1.00 0.00 WT1 O ATOM 2391 H1 TIP3W 578 6.779 27.564 15.817 1.00 0.00 WT1 H ATOM 2392 H2 TIP3W 578 6.281 26.326 16.706 1.00 0.00 WT1 H ATOM 2393 OH2 TIP3W 579 12.433 6.460 12.311 1.00 0.00 WT1 O ATOM 2394 H1 TIP3W 579 12.593 6.109 13.245 1.00 0.00 WT1 H ATOM 2395 H2 TIP3W 579 13.039 7.204 12.206 1.00 0.00 WT1 H ATOM 2396 OH2 TIP3W 584 5.133 22.238 -18.906 1.00 0.00 WT1 O ATOM 2397 H1 TIP3W 584 5.946 21.886 -18.454 1.00 0.00 WT1 H ATOM 2398 H2 TIP3W 584 4.563 22.548 -18.154 1.00 0.00 WT1 H ATOM 2399 OH2 TIP3W 588 19.104 38.752 -20.270 1.00 0.00 WT1 O ATOM 2400 H1 TIP3W 588 19.187 39.484 -20.873 1.00 0.00 WT1 H ATOM 2401 H2 TIP3W 588 19.953 38.288 -20.379 1.00 0.00 WT1 H ATOM 2402 OH2 TIP3W 591 6.393 26.902 -14.468 1.00 0.00 WT1 O ATOM 2403 H1 TIP3W 591 5.868 27.084 -13.679 1.00 0.00 WT1 H ATOM 2404 H2 TIP3W 591 5.806 26.307 -14.983 1.00 0.00 WT1 H ATOM 2405 OH2 TIP3W 592 17.530 23.064 -8.702 1.00 0.00 WT1 O ATOM 2406 H1 TIP3W 592 17.201 23.953 -8.507 1.00 0.00 WT1 H ATOM 2407 H2 TIP3W 592 17.366 22.488 -7.941 1.00 0.00 WT1 H ATOM 2408 OH2 TIP3W 593 5.305 26.591 -11.779 1.00 0.00 WT1 O ATOM 2409 H1 TIP3W 593 4.323 26.551 -11.751 1.00 0.00 WT1 H ATOM 2410 H2 TIP3W 593 5.608 25.689 -11.531 1.00 0.00 WT1 H ATOM 2411 OH2 TIP3W 594 7.020 4.755 -14.254 1.00 0.00 WT1 O ATOM 2412 H1 TIP3W 594 6.777 4.806 -15.233 1.00 0.00 WT1 H ATOM 2413 H2 TIP3W 594 7.720 5.425 -14.214 1.00 0.00 WT1 H ATOM 2414 OH2 TIP3W 595 11.221 18.028 -4.459 1.00 0.00 WT1 O ATOM 2415 H1 TIP3W 595 11.827 18.688 -4.837 1.00 0.00 WT1 H ATOM 2416 H2 TIP3W 595 10.625 17.706 -5.206 1.00 0.00 WT1 H ATOM 2417 OH2 TIP3W 598 17.646 23.031 14.991 1.00 0.00 WT1 O ATOM 2418 H1 TIP3W 598 17.549 23.734 15.640 1.00 0.00 WT1 H ATOM 2419 H2 TIP3W 598 18.003 22.283 15.450 1.00 0.00 WT1 H ATOM 2420 OH2 TIP3W 599 7.144 13.613 12.580 1.00 0.00 WT1 O ATOM 2421 H1 TIP3W 599 6.589 13.377 13.329 1.00 0.00 WT1 H ATOM 2422 H2 TIP3W 599 7.917 13.119 12.709 1.00 0.00 WT1 H ATOM 2423 OH2 TIP3W 600 7.395 33.856 18.856 1.00 0.00 WT1 O ATOM 2424 H1 TIP3W 600 8.254 33.806 19.215 1.00 0.00 WT1 H ATOM 2425 H2 TIP3W 600 6.833 33.385 19.470 1.00 0.00 WT1 H ATOM 2426 OH2 TIP3W 602 9.489 19.460 5.593 1.00 0.00 WT1 O ATOM 2427 H1 TIP3W 602 8.928 20.176 5.852 1.00 0.00 WT1 H ATOM 2428 H2 TIP3W 602 9.506 18.781 6.313 1.00 0.00 WT1 H ATOM 2429 OH2 TIP3W 612 20.502 20.973 -18.012 1.00 0.00 WT1 O ATOM 2430 H1 TIP3W 612 20.673 21.451 -17.172 1.00 0.00 WT1 H ATOM 2431 H2 TIP3W 612 20.737 21.635 -18.708 1.00 0.00 WT1 H ATOM 2432 OH2 TIP3W 613 17.850 20.790 -19.046 1.00 0.00 WT1 O ATOM 2433 H1 TIP3W 613 17.275 21.045 -18.332 1.00 0.00 WT1 H ATOM 2434 H2 TIP3W 613 18.738 20.974 -18.720 1.00 0.00 WT1 H ATOM 2435 OH2 TIP3W 618 12.699 16.735 9.198 1.00 0.00 WT1 O ATOM 2436 H1 TIP3W 618 12.278 16.340 8.416 1.00 0.00 WT1 H ATOM 2437 H2 TIP3W 618 12.727 16.021 9.847 1.00 0.00 WT1 H ATOM 2438 OH2 TIP3W 619 9.507 36.310 -1.282 1.00 0.00 WT1 O ATOM 2439 H1 TIP3W 619 9.827 37.058 -1.766 1.00 0.00 WT1 H ATOM 2440 H2 TIP3W 619 8.548 36.522 -1.021 1.00 0.00 WT1 H ATOM 2441 OH2 TIP3W 623 14.748 19.807 19.215 1.00 0.00 WT1 O ATOM 2442 H1 TIP3W 623 15.156 19.310 18.474 1.00 0.00 WT1 H ATOM 2443 H2 TIP3W 623 13.887 20.050 18.918 1.00 0.00 WT1 H ATOM 2444 OH2 TIP3W 626 7.581 17.544 21.393 1.00 0.00 WT1 O ATOM 2445 H1 TIP3W 626 7.768 16.643 21.194 1.00 0.00 WT1 H ATOM 2446 H2 TIP3W 626 7.630 17.999 20.519 1.00 0.00 WT1 H ATOM 2447 OH2 TIP3W 632 12.491 22.035 -14.157 1.00 0.00 WT1 O ATOM 2448 H1 TIP3W 632 13.317 22.507 -14.091 1.00 0.00 WT1 H ATOM 2449 H2 TIP3W 632 11.827 22.687 -14.482 1.00 0.00 WT1 H ATOM 2450 OH2 TIP3W 634 15.239 13.320 -16.076 1.00 0.00 WT1 O ATOM 2451 H1 TIP3W 634 14.360 13.111 -16.386 1.00 0.00 WT1 H ATOM 2452 H2 TIP3W 634 15.711 12.449 -16.077 1.00 0.00 WT1 H ATOM 2453 OH2 TIP3W 636 11.294 32.727 1.254 1.00 0.00 WT1 O ATOM 2454 H1 TIP3W 636 10.528 32.655 0.663 1.00 0.00 WT1 H ATOM 2455 H2 TIP3W 636 11.026 32.178 2.006 1.00 0.00 WT1 H ATOM 2456 OH2 TIP3W 637 11.307 33.325 13.548 1.00 0.00 WT1 O ATOM 2457 H1 TIP3W 637 11.910 33.561 14.201 1.00 0.00 WT1 H ATOM 2458 H2 TIP3W 637 11.245 32.374 13.670 1.00 0.00 WT1 H ATOM 2459 OH2 TIP3W 638 6.396 24.022 -3.600 1.00 0.00 WT1 O ATOM 2460 H1 TIP3W 638 6.484 24.493 -4.400 1.00 0.00 WT1 H ATOM 2461 H2 TIP3W 638 5.582 24.439 -3.190 1.00 0.00 WT1 H ATOM 2462 OH2 TIP3W 639 5.993 24.237 4.538 1.00 0.00 WT1 O ATOM 2463 H1 TIP3W 639 6.890 24.477 4.632 1.00 0.00 WT1 H ATOM 2464 H2 TIP3W 639 5.795 23.797 5.332 1.00 0.00 WT1 H ATOM 2465 OH2 TIP3W 642 6.064 33.187 12.614 1.00 0.00 WT1 O ATOM 2466 H1 TIP3W 642 6.101 33.232 13.626 1.00 0.00 WT1 H ATOM 2467 H2 TIP3W 642 6.878 33.581 12.385 1.00 0.00 WT1 H ATOM 2468 OH2 TIP3W 648 50.107 8.612 19.437 1.00 0.00 WT1 O ATOM 2469 H1 TIP3W 648 50.468 8.054 20.182 1.00 0.00 WT1 H ATOM 2470 H2 TIP3W 648 50.522 9.483 19.630 1.00 0.00 WT1 H ATOM 2471 OH2 TIP3W 653 9.867 39.654 -10.828 1.00 0.00 WT1 O ATOM 2472 H1 TIP3W 653 8.951 39.509 -10.428 1.00 0.00 WT1 H ATOM 2473 H2 TIP3W 653 10.162 40.519 -10.416 1.00 0.00 WT1 H ATOM 2474 OH2 TIP3W 661 16.241 35.105 10.592 1.00 0.00 WT1 O ATOM 2475 H1 TIP3W 661 15.749 34.743 11.354 1.00 0.00 WT1 H ATOM 2476 H2 TIP3W 661 16.553 34.293 10.051 1.00 0.00 WT1 H ATOM 2477 OH2 TIP3W 662 8.100 21.888 4.273 1.00 0.00 WT1 O ATOM 2478 H1 TIP3W 662 8.421 22.254 5.107 1.00 0.00 WT1 H ATOM 2479 H2 TIP3W 662 7.145 21.766 4.454 1.00 0.00 WT1 H ATOM 2480 OH2 TIP3W 666 5.935 28.670 14.564 1.00 0.00 WT1 O ATOM 2481 H1 TIP3W 666 6.038 29.282 13.824 1.00 0.00 WT1 H ATOM 2482 H2 TIP3W 666 5.222 29.119 15.049 1.00 0.00 WT1 H ATOM 2483 OH2 TIP3W 672 50.133 36.686 -17.080 1.00 0.00 WT1 O ATOM 2484 H1 TIP3W 672 50.366 36.478 -16.154 1.00 0.00 WT1 H ATOM 2485 H2 TIP3W 672 49.791 37.628 -16.871 1.00 0.00 WT1 H ATOM 2486 OH2 TIP3W 674 9.524 34.298 -19.898 1.00 0.00 WT1 O ATOM 2487 H1 TIP3W 674 10.057 34.303 -20.696 1.00 0.00 WT1 H ATOM 2488 H2 TIP3W 674 8.899 35.032 -20.126 1.00 0.00 WT1 H ATOM 2489 OH2 TIP3W 675 11.301 39.239 -16.645 1.00 0.00 WT1 O ATOM 2490 H1 TIP3W 675 11.217 39.456 -15.713 1.00 0.00 WT1 H ATOM 2491 H2 TIP3W 675 10.552 39.730 -17.070 1.00 0.00 WT1 H ATOM 2492 OH2 TIP3W 677 8.517 43.110 -4.244 1.00 0.00 WT1 O ATOM 2493 H1 TIP3W 677 8.615 42.511 -3.526 1.00 0.00 WT1 H ATOM 2494 H2 TIP3W 677 8.549 43.992 -3.829 1.00 0.00 WT1 H ATOM 2495 OH2 TIP3W 679 11.796 28.312 10.177 1.00 0.00 WT1 O ATOM 2496 H1 TIP3W 679 12.426 27.725 9.698 1.00 0.00 WT1 H ATOM 2497 H2 TIP3W 679 11.088 27.666 10.270 1.00 0.00 WT1 H ATOM 2498 OH2 TIP3W 682 11.745 29.686 -1.694 1.00 0.00 WT1 O ATOM 2499 H1 TIP3W 682 10.888 29.834 -2.128 1.00 0.00 WT1 H ATOM 2500 H2 TIP3W 682 11.624 30.112 -0.780 1.00 0.00 WT1 H ATOM 2501 OH2 TIP3W 684 6.467 35.070 3.561 1.00 0.00 WT1 O ATOM 2502 H1 TIP3W 684 7.201 34.615 3.141 1.00 0.00 WT1 H ATOM 2503 H2 TIP3W 684 6.713 36.006 3.405 1.00 0.00 WT1 H ATOM 2504 OH2 TIP3W 686 13.456 37.128 16.697 1.00 0.00 WT1 O ATOM 2505 H1 TIP3W 686 14.201 36.534 16.702 1.00 0.00 WT1 H ATOM 2506 H2 TIP3W 686 13.792 37.926 17.150 1.00 0.00 WT1 H ATOM 2507 OH2 TIP3W 687 14.382 32.008 22.169 1.00 0.00 WT1 O ATOM 2508 H1 TIP3W 687 14.809 31.132 22.379 1.00 0.00 WT1 H ATOM 2509 H2 TIP3W 687 13.725 31.663 21.516 1.00 0.00 WT1 H ATOM 2510 OH2 TIP3W 699 15.747 32.365 -1.845 1.00 0.00 WT1 O ATOM 2511 H1 TIP3W 699 15.202 32.199 -2.628 1.00 0.00 WT1 H ATOM 2512 H2 TIP3W 699 15.186 32.291 -1.035 1.00 0.00 WT1 H ATOM 2513 OH2 TIP3W 700 16.260 33.892 13.106 1.00 0.00 WT1 O ATOM 2514 H1 TIP3W 700 16.382 32.967 12.993 1.00 0.00 WT1 H ATOM 2515 H2 TIP3W 700 17.128 34.221 13.425 1.00 0.00 WT1 H ATOM 2516 OH2 TIP3W 701 11.110 35.686 0.858 1.00 0.00 WT1 O ATOM 2517 H1 TIP3W 701 11.213 34.708 1.033 1.00 0.00 WT1 H ATOM 2518 H2 TIP3W 701 10.539 35.739 0.114 1.00 0.00 WT1 H ATOM 2519 OH2 TIP3W 702 17.887 33.262 18.260 1.00 0.00 WT1 O ATOM 2520 H1 TIP3W 702 17.409 32.742 18.922 1.00 0.00 WT1 H ATOM 2521 H2 TIP3W 702 18.006 32.665 17.458 1.00 0.00 WT1 H ATOM 2522 OH2 TIP3W 704 7.320 39.279 16.549 1.00 0.00 WT1 O ATOM 2523 H1 TIP3W 704 6.957 39.260 17.373 1.00 0.00 WT1 H ATOM 2524 H2 TIP3W 704 7.013 40.169 16.170 1.00 0.00 WT1 H ATOM 2525 OH2 TIP3W 706 23.302 43.505 11.552 1.00 0.00 WT1 O ATOM 2526 H1 TIP3W 706 22.549 43.136 11.048 1.00 0.00 WT1 H ATOM 2527 H2 TIP3W 706 23.277 44.461 11.164 1.00 0.00 WT1 H ATOM 2528 OH2 TIP3W 707 10.441 33.869 17.796 1.00 0.00 WT1 O ATOM 2529 H1 TIP3W 707 9.809 33.985 17.114 1.00 0.00 WT1 H ATOM 2530 H2 TIP3W 707 10.672 32.957 17.725 1.00 0.00 WT1 H ATOM 2531 OH2 TIP3W 710 10.350 35.544 12.489 1.00 0.00 WT1 O ATOM 2532 H1 TIP3W 710 10.748 35.923 13.267 1.00 0.00 WT1 H ATOM 2533 H2 TIP3W 710 11.113 35.439 11.889 1.00 0.00 WT1 H ATOM 2534 OH2 TIP3W 715 7.023 49.479 -10.955 1.00 0.00 WT1 O ATOM 2535 H1 TIP3W 715 6.608 50.219 -10.504 1.00 0.00 WT1 H ATOM 2536 H2 TIP3W 715 6.339 49.262 -11.630 1.00 0.00 WT1 H ATOM 2537 OH2 TIP3W 717 8.192 47.203 -15.750 1.00 0.00 WT1 O ATOM 2538 H1 TIP3W 717 9.041 46.686 -15.812 1.00 0.00 WT1 H ATOM 2539 H2 TIP3W 717 8.389 47.812 -15.056 1.00 0.00 WT1 H ATOM 2540 OH2 TIP3W 721 8.261 31.062 -1.695 1.00 0.00 WT1 O ATOM 2541 H1 TIP3W 721 8.265 30.340 -2.401 1.00 0.00 WT1 H ATOM 2542 H2 TIP3W 721 7.427 30.852 -1.248 1.00 0.00 WT1 H ATOM 2543 OH2 TIP3W 722 8.170 40.290 7.188 1.00 0.00 WT1 O ATOM 2544 H1 TIP3W 722 8.380 40.414 8.121 1.00 0.00 WT1 H ATOM 2545 H2 TIP3W 722 8.220 39.326 7.071 1.00 0.00 WT1 H ATOM 2546 OH2 TIP3W 725 14.578 39.715 17.728 1.00 0.00 WT1 O ATOM 2547 H1 TIP3W 725 14.030 40.416 18.128 1.00 0.00 WT1 H ATOM 2548 H2 TIP3W 725 15.456 40.053 17.821 1.00 0.00 WT1 H ATOM 2549 OH2 TIP3W 726 10.185 40.168 13.556 1.00 0.00 WT1 O ATOM 2550 H1 TIP3W 726 10.836 39.914 14.249 1.00 0.00 WT1 H ATOM 2551 H2 TIP3W 726 9.701 39.381 13.337 1.00 0.00 WT1 H ATOM 2552 OH2 TIP3W 736 11.788 42.367 -17.610 1.00 0.00 WT1 O ATOM 2553 H1 TIP3W 736 11.171 41.723 -17.804 1.00 0.00 WT1 H ATOM 2554 H2 TIP3W 736 11.823 42.989 -18.335 1.00 0.00 WT1 H ATOM 2555 OH2 TIP3W 737 10.644 31.392 8.806 1.00 0.00 WT1 O ATOM 2556 H1 TIP3W 737 11.503 31.412 9.303 1.00 0.00 WT1 H ATOM 2557 H2 TIP3W 737 10.940 31.093 7.910 1.00 0.00 WT1 H ATOM 2558 OH2 TIP3W 738 8.372 32.330 -16.152 1.00 0.00 WT1 O ATOM 2559 H1 TIP3W 738 7.994 32.878 -15.431 1.00 0.00 WT1 H ATOM 2560 H2 TIP3W 738 7.604 31.823 -16.412 1.00 0.00 WT1 H ATOM 2561 OH2 TIP3W 740 12.779 48.936 -12.663 1.00 0.00 WT1 O ATOM 2562 H1 TIP3W 740 13.124 48.165 -13.094 1.00 0.00 WT1 H ATOM 2563 H2 TIP3W 740 11.950 48.681 -12.268 1.00 0.00 WT1 H ATOM 2564 OH2 TIP3W 746 7.750 41.272 -16.304 1.00 0.00 WT1 O ATOM 2565 H1 TIP3W 746 8.009 41.104 -15.407 1.00 0.00 WT1 H ATOM 2566 H2 TIP3W 746 7.809 42.269 -16.352 1.00 0.00 WT1 H ATOM 2567 OH2 TIP3W 748 12.646 34.455 19.399 1.00 0.00 WT1 O ATOM 2568 H1 TIP3W 748 12.926 35.340 19.670 1.00 0.00 WT1 H ATOM 2569 H2 TIP3W 748 11.881 34.766 18.779 1.00 0.00 WT1 H ATOM 2570 OH2 TIP3W 749 9.932 46.071 19.890 1.00 0.00 WT1 O ATOM 2571 H1 TIP3W 749 9.620 46.739 20.510 1.00 0.00 WT1 H ATOM 2572 H2 TIP3W 749 9.096 46.043 19.382 1.00 0.00 WT1 H ATOM 2573 OH2 TIP3W 761 5.776 46.040 1.989 1.00 0.00 WT1 O ATOM 2574 H1 TIP3W 761 5.561 46.934 1.672 1.00 0.00 WT1 H ATOM 2575 H2 TIP3W 761 6.739 46.177 2.327 1.00 0.00 WT1 H ATOM 2576 OH2 TIP3W 763 10.771 48.520 4.369 1.00 0.00 WT1 O ATOM 2577 H1 TIP3W 763 11.356 47.965 3.918 1.00 0.00 WT1 H ATOM 2578 H2 TIP3W 763 11.376 48.806 5.086 1.00 0.00 WT1 H ATOM 2579 OH2 TIP3W 765 11.970 44.851 -3.824 1.00 0.00 WT1 O ATOM 2580 H1 TIP3W 765 12.258 44.090 -3.383 1.00 0.00 WT1 H ATOM 2581 H2 TIP3W 765 11.539 44.537 -4.651 1.00 0.00 WT1 H ATOM 2582 OH2 TIP3W 778 6.075 38.102 -14.035 1.00 0.00 WT1 O ATOM 2583 H1 TIP3W 778 5.071 38.169 -14.074 1.00 0.00 WT1 H ATOM 2584 H2 TIP3W 778 6.246 37.534 -13.252 1.00 0.00 WT1 H ATOM 2585 OH2 TIP3W 785 10.653 42.522 -1.939 1.00 0.00 WT1 O ATOM 2586 H1 TIP3W 785 10.075 42.486 -1.201 1.00 0.00 WT1 H ATOM 2587 H2 TIP3W 785 11.466 42.914 -1.571 1.00 0.00 WT1 H ATOM 2588 OH2 TIP3W 788 25.877 48.195 8.347 1.00 0.00 WT1 O ATOM 2589 H1 TIP3W 788 25.254 47.578 8.770 1.00 0.00 WT1 H ATOM 2590 H2 TIP3W 788 25.390 48.503 7.559 1.00 0.00 WT1 H ATOM 2591 OH2 TIP3W 796 14.476 39.694 20.638 1.00 0.00 WT1 O ATOM 2592 H1 TIP3W 796 14.546 38.817 20.218 1.00 0.00 WT1 H ATOM 2593 H2 TIP3W 796 15.204 40.185 20.259 1.00 0.00 WT1 H ATOM 2594 OH2 TIP3W 809 12.382 44.220 -0.813 1.00 0.00 WT1 O ATOM 2595 H1 TIP3W 809 12.786 44.703 -0.096 1.00 0.00 WT1 H ATOM 2596 H2 TIP3W 809 13.198 43.976 -1.256 1.00 0.00 WT1 H ATOM 2597 OH2 TIP3W 811 23.322 48.508 16.981 1.00 0.00 WT1 O ATOM 2598 H1 TIP3W 811 23.851 47.812 16.502 1.00 0.00 WT1 H ATOM 2599 H2 TIP3W 811 23.482 48.230 17.945 1.00 0.00 WT1 H ATOM 2600 OH2 TIP3W 813 22.894 42.434 14.112 1.00 0.00 WT1 O ATOM 2601 H1 TIP3W 813 23.023 42.783 13.237 1.00 0.00 WT1 H ATOM 2602 H2 TIP3W 813 23.078 41.519 14.037 1.00 0.00 WT1 H ATOM 2603 OH2 TIP3W 817 32.196 44.327 -18.096 1.00 0.00 WT1 O ATOM 2604 H1 TIP3W 817 31.768 44.325 -17.223 1.00 0.00 WT1 H ATOM 2605 H2 TIP3W 817 33.049 44.726 -17.919 1.00 0.00 WT1 H ATOM 2606 OH2 TIP3W 822 5.057 3.039 -11.215 1.00 0.00 WT1 O ATOM 2607 H1 TIP3W 822 4.736 2.138 -11.455 1.00 0.00 WT1 H ATOM 2608 H2 TIP3W 822 5.815 3.155 -11.804 1.00 0.00 WT1 H ATOM 2609 OH2 TIP3W 849 9.666 3.958 -5.748 1.00 0.00 WT1 O ATOM 2610 H1 TIP3W 849 10.194 4.634 -5.333 1.00 0.00 WT1 H ATOM 2611 H2 TIP3W 849 9.902 3.192 -5.257 1.00 0.00 WT1 H ATOM 2612 OH2 TIP3W 852 6.199 4.155 7.747 1.00 0.00 WT1 O ATOM 2613 H1 TIP3W 852 6.248 5.072 7.469 1.00 0.00 WT1 H ATOM 2614 H2 TIP3W 852 5.325 3.882 7.351 1.00 0.00 WT1 H ATOM 2615 OH2 TIP3W 854 6.991 1.118 19.358 1.00 0.00 WT1 O ATOM 2616 H1 TIP3W 854 6.908 0.160 19.200 1.00 0.00 WT1 H ATOM 2617 H2 TIP3W 854 7.680 1.227 20.076 1.00 0.00 WT1 H ATOM 2618 OH2 TIP3W 867 15.014 5.291 -5.911 1.00 0.00 WT1 O ATOM 2619 H1 TIP3W 867 15.211 5.482 -4.958 1.00 0.00 WT1 H ATOM 2620 H2 TIP3W 867 14.437 4.542 -5.796 1.00 0.00 WT1 H ATOM 2621 OH2 TIP3W 878 4.424 45.997 19.719 1.00 0.00 WT1 O ATOM 2622 H1 TIP3W 878 4.656 46.961 19.882 1.00 0.00 WT1 H ATOM 2623 H2 TIP3W 878 4.370 45.906 18.761 1.00 0.00 WT1 H ATOM 2624 OH2 TIP3W 883 13.256 46.807 -20.586 1.00 0.00 WT1 O ATOM 2625 H1 TIP3W 883 13.625 46.322 -19.831 1.00 0.00 WT1 H ATOM 2626 H2 TIP3W 883 12.996 47.653 -20.164 1.00 0.00 WT1 H ATOM 2627 OH2 TIP3W 887 31.207 10.664 -21.115 1.00 0.00 WT1 O ATOM 2628 H1 TIP3W 887 30.824 9.850 -21.490 1.00 0.00 WT1 H ATOM 2629 H2 TIP3W 887 32.185 10.497 -21.241 1.00 0.00 WT1 H ATOM 2630 OH2 TIP3W 889 6.499 0.276 3.084 1.00 0.00 WT1 O ATOM 2631 H1 TIP3W 889 5.774 -0.339 2.916 1.00 0.00 WT1 H ATOM 2632 H2 TIP3W 889 6.435 0.375 4.106 1.00 0.00 WT1 H ATOM 2633 OH2 TIP3W 891 16.073 18.184 -11.836 1.00 0.00 WT1 O ATOM 2634 H1 TIP3W 891 16.589 18.975 -11.928 1.00 0.00 WT1 H ATOM 2635 H2 TIP3W 891 16.745 17.475 -11.893 1.00 0.00 WT1 H ATOM 2636 OH2 TIP3W 894 12.174 9.173 7.156 1.00 0.00 WT1 O ATOM 2637 H1 TIP3W 894 11.779 9.845 7.713 1.00 0.00 WT1 H ATOM 2638 H2 TIP3W 894 11.464 8.562 6.989 1.00 0.00 WT1 H ATOM 2639 OH2 TIP3W 895 8.957 5.202 15.740 1.00 0.00 WT1 O ATOM 2640 H1 TIP3W 895 8.152 4.746 15.404 1.00 0.00 WT1 H ATOM 2641 H2 TIP3W 895 8.940 6.056 15.296 1.00 0.00 WT1 H ATOM 2642 OH2 TIP3W 897 15.203 6.986 8.521 1.00 0.00 WT1 O ATOM 2643 H1 TIP3W 897 15.049 6.357 7.744 1.00 0.00 WT1 H ATOM 2644 H2 TIP3W 897 14.671 6.541 9.180 1.00 0.00 WT1 H ATOM 2645 OH2 TIP3W 906 11.337 0.794 -8.383 1.00 0.00 WT1 O ATOM 2646 H1 TIP3W 906 10.495 1.371 -8.259 1.00 0.00 WT1 H ATOM 2647 H2 TIP3W 906 11.002 -0.027 -8.052 1.00 0.00 WT1 H ATOM 2648 OH2 TIP3W 907 22.122 4.341 -15.918 1.00 0.00 WT1 O ATOM 2649 H1 TIP3W 907 21.530 4.886 -16.414 1.00 0.00 WT1 H ATOM 2650 H2 TIP3W 907 21.861 3.439 -16.125 1.00 0.00 WT1 H ATOM 2651 OH2 TIP3W 908 8.338 6.269 -9.018 1.00 0.00 WT1 O ATOM 2652 H1 TIP3W 908 8.887 5.763 -9.656 1.00 0.00 WT1 H ATOM 2653 H2 TIP3W 908 7.481 5.890 -9.250 1.00 0.00 WT1 H ATOM 2654 OH2 TIP3W 911 15.359 8.450 5.088 1.00 0.00 WT1 O ATOM 2655 H1 TIP3W 911 15.705 8.051 5.861 1.00 0.00 WT1 H ATOM 2656 H2 TIP3W 911 16.215 8.665 4.589 1.00 0.00 WT1 H ATOM 2657 OH2 TIP3W 912 26.443 1.456 -1.951 1.00 0.00 WT1 O ATOM 2658 H1 TIP3W 912 27.239 1.166 -1.532 1.00 0.00 WT1 H ATOM 2659 H2 TIP3W 912 25.796 1.398 -1.233 1.00 0.00 WT1 H ATOM 2660 OH2 TIP3W 924 16.803 8.021 -19.579 1.00 0.00 WT1 O ATOM 2661 H1 TIP3W 924 17.218 8.410 -18.807 1.00 0.00 WT1 H ATOM 2662 H2 TIP3W 924 17.292 7.211 -19.755 1.00 0.00 WT1 H ATOM 2663 OH2 TIP3W 927 15.487 8.180 -13.866 1.00 0.00 WT1 O ATOM 2664 H1 TIP3W 927 14.753 8.742 -13.741 1.00 0.00 WT1 H ATOM 2665 H2 TIP3W 927 15.176 7.358 -13.496 1.00 0.00 WT1 H ATOM 2666 OH2 TIP3W 928 6.148 1.776 -6.396 1.00 0.00 WT1 O ATOM 2667 H1 TIP3W 928 6.511 2.651 -6.249 1.00 0.00 WT1 H ATOM 2668 H2 TIP3W 928 6.427 1.569 -7.372 1.00 0.00 WT1 H ATOM 2669 OH2 TIP3W 930 6.209 10.194 -3.901 1.00 0.00 WT1 O ATOM 2670 H1 TIP3W 930 5.449 10.248 -4.489 1.00 0.00 WT1 H ATOM 2671 H2 TIP3W 930 6.568 11.105 -3.939 1.00 0.00 WT1 H ATOM 2672 OH2 TIP3W 932 13.530 12.474 -4.454 1.00 0.00 WT1 O ATOM 2673 H1 TIP3W 932 14.372 12.768 -4.056 1.00 0.00 WT1 H ATOM 2674 H2 TIP3W 932 13.704 11.569 -4.692 1.00 0.00 WT1 H ATOM 2675 OH2 TIP3W 933 7.768 8.438 0.625 1.00 0.00 WT1 O ATOM 2676 H1 TIP3W 933 8.708 8.586 0.860 1.00 0.00 WT1 H ATOM 2677 H2 TIP3W 933 7.758 8.759 -0.299 1.00 0.00 WT1 H ATOM 2678 OH2 TIP3W 936 7.234 2.713 5.165 1.00 0.00 WT1 O ATOM 2679 H1 TIP3W 936 7.868 3.116 4.582 1.00 0.00 WT1 H ATOM 2680 H2 TIP3W 936 6.975 3.400 5.798 1.00 0.00 WT1 H ATOM 2681 OH2 TIP3W 940 5.060 1.508 11.667 1.00 0.00 WT1 O ATOM 2682 H1 TIP3W 940 5.054 1.079 12.521 1.00 0.00 WT1 H ATOM 2683 H2 TIP3W 940 4.701 2.379 11.949 1.00 0.00 WT1 H ATOM 2684 OH2 TIP3W 941 14.977 11.004 13.709 1.00 0.00 WT1 O ATOM 2685 H1 TIP3W 941 14.184 11.518 13.433 1.00 0.00 WT1 H ATOM 2686 H2 TIP3W 941 15.249 11.515 14.420 1.00 0.00 WT1 H ATOM 2687 OH2 TIP3W 942 22.751 14.704 -17.954 1.00 0.00 WT1 O ATOM 2688 H1 TIP3W 942 22.920 15.058 -18.826 1.00 0.00 WT1 H ATOM 2689 H2 TIP3W 942 23.423 13.977 -17.833 1.00 0.00 WT1 H ATOM 2690 OH2 TIP3W 947 19.740 1.844 -14.387 1.00 0.00 WT1 O ATOM 2691 H1 TIP3W 947 19.768 1.311 -13.637 1.00 0.00 WT1 H ATOM 2692 H2 TIP3W 947 20.243 1.310 -15.024 1.00 0.00 WT1 H ATOM 2693 OH2 TIP3W 948 17.444 3.105 -15.235 1.00 0.00 WT1 O ATOM 2694 H1 TIP3W 948 16.744 2.502 -14.856 1.00 0.00 WT1 H ATOM 2695 H2 TIP3W 948 18.269 2.732 -14.829 1.00 0.00 WT1 H ATOM 2696 OH2 TIP3W 949 10.018 2.996 2.624 1.00 0.00 WT1 O ATOM 2697 H1 TIP3W 949 10.312 3.273 3.506 1.00 0.00 WT1 H ATOM 2698 H2 TIP3W 949 9.467 3.738 2.350 1.00 0.00 WT1 H ATOM 2699 OH2 TIP3W 951 14.605 12.636 -7.474 1.00 0.00 WT1 O ATOM 2700 H1 TIP3W 951 14.902 12.637 -6.568 1.00 0.00 WT1 H ATOM 2701 H2 TIP3W 951 13.632 12.796 -7.444 1.00 0.00 WT1 H ATOM 2702 OH2 TIP3W 952 20.318 16.367 -10.384 1.00 0.00 WT1 O ATOM 2703 H1 TIP3W 952 21.005 16.272 -11.110 1.00 0.00 WT1 H ATOM 2704 H2 TIP3W 952 19.496 16.091 -10.852 1.00 0.00 WT1 H ATOM 2705 OH2 TIP3W 953 19.708 0.122 -3.548 1.00 0.00 WT1 O ATOM 2706 H1 TIP3W 953 20.326 0.521 -4.228 1.00 0.00 WT1 H ATOM 2707 H2 TIP3W 953 18.884 0.581 -3.685 1.00 0.00 WT1 H ATOM 2708 OH2 TIP3W 954 7.365 10.672 20.902 1.00 0.00 WT1 O ATOM 2709 H1 TIP3W 954 6.944 10.764 21.757 1.00 0.00 WT1 H ATOM 2710 H2 TIP3W 954 6.954 11.347 20.396 1.00 0.00 WT1 H ATOM 2711 OH2 TIP3W 964 12.140 18.321 -19.799 1.00 0.00 WT1 O ATOM 2712 H1 TIP3W 964 11.567 18.440 -20.547 1.00 0.00 WT1 H ATOM 2713 H2 TIP3W 964 12.639 17.493 -19.909 1.00 0.00 WT1 H ATOM 2714 OH2 TIP3W 970 17.973 25.002 -15.265 1.00 0.00 WT1 O ATOM 2715 H1 TIP3W 970 18.161 24.831 -14.312 1.00 0.00 WT1 H ATOM 2716 H2 TIP3W 970 17.665 25.945 -15.262 1.00 0.00 WT1 H ATOM 2717 OH2 TIP3W 972 19.337 9.819 -11.988 1.00 0.00 WT1 O ATOM 2718 H1 TIP3W 972 19.946 9.523 -12.690 1.00 0.00 WT1 H ATOM 2719 H2 TIP3W 972 19.239 10.764 -12.249 1.00 0.00 WT1 H ATOM 2720 OH2 TIP3W 974 14.584 10.018 -0.835 1.00 0.00 WT1 O ATOM 2721 H1 TIP3W 974 15.203 9.643 -0.140 1.00 0.00 WT1 H ATOM 2722 H2 TIP3W 974 14.654 9.461 -1.556 1.00 0.00 WT1 H ATOM 2723 OH2 TIP3W 975 15.783 4.645 -0.092 1.00 0.00 WT1 O ATOM 2724 H1 TIP3W 975 16.356 4.237 0.637 1.00 0.00 WT1 H ATOM 2725 H2 TIP3W 975 14.864 4.509 0.306 1.00 0.00 WT1 H ATOM 2726 OH2 TIP3W 977 12.628 13.854 3.356 1.00 0.00 WT1 O ATOM 2727 H1 TIP3W 977 13.300 13.649 3.942 1.00 0.00 WT1 H ATOM 2728 H2 TIP3W 977 13.046 14.523 2.770 1.00 0.00 WT1 H ATOM 2729 OH2 TIP3W 978 7.857 21.136 21.351 1.00 0.00 WT1 O ATOM 2730 H1 TIP3W 978 6.972 21.180 21.690 1.00 0.00 WT1 H ATOM 2731 H2 TIP3W 978 7.775 21.274 20.383 1.00 0.00 WT1 H ATOM 2732 OH2 TIP3W 985 35.178 27.304 -19.063 1.00 0.00 WT1 O ATOM 2733 H1 TIP3W 985 35.301 27.992 -19.775 1.00 0.00 WT1 H ATOM 2734 H2 TIP3W 985 35.825 26.613 -19.310 1.00 0.00 WT1 H ATOM 2735 OH2 TIP3W 988 18.222 25.032 -19.508 1.00 0.00 WT1 O ATOM 2736 H1 TIP3W 988 17.977 25.958 -19.255 1.00 0.00 WT1 H ATOM 2737 H2 TIP3W 988 17.798 24.486 -18.794 1.00 0.00 WT1 H ATOM 2738 OH2 TIP3W 989 15.475 31.430 -20.458 1.00 0.00 WT1 O ATOM 2739 H1 TIP3W 989 15.693 30.605 -20.820 1.00 0.00 WT1 H ATOM 2740 H2 TIP3W 989 15.216 31.239 -19.553 1.00 0.00 WT1 H ATOM 2741 OH2 TIP3W 990 28.759 34.970 -13.910 1.00 0.00 WT1 O ATOM 2742 H1 TIP3W 990 29.744 35.121 -13.937 1.00 0.00 WT1 H ATOM 2743 H2 TIP3W 990 28.452 34.902 -14.852 1.00 0.00 WT1 H ATOM 2744 OH2 TIP3W 992 25.318 1.840 -6.621 1.00 0.00 WT1 O ATOM 2745 H1 TIP3W 992 24.700 2.606 -6.710 1.00 0.00 WT1 H ATOM 2746 H2 TIP3W 992 26.078 2.162 -7.045 1.00 0.00 WT1 H ATOM 2747 OH2 TIP3W 995 11.110 15.229 -4.610 1.00 0.00 WT1 O ATOM 2748 H1 TIP3W 995 11.453 15.219 -5.467 1.00 0.00 WT1 H ATOM 2749 H2 TIP3W 995 11.419 16.072 -4.226 1.00 0.00 WT1 H ATOM 2750 OH2 TIP3W 996 10.090 16.086 2.230 1.00 0.00 WT1 O ATOM 2751 H1 TIP3W 996 9.416 15.896 1.547 1.00 0.00 WT1 H ATOM 2752 H2 TIP3W 996 10.060 17.055 2.300 1.00 0.00 WT1 H ATOM 2753 OH2 TIP3W1007 18.913 16.680 -18.581 1.00 0.00 WT1 O ATOM 2754 H1 TIP3W1007 18.585 16.225 -17.831 1.00 0.00 WT1 H ATOM 2755 H2 TIP3W1007 18.152 17.176 -18.916 1.00 0.00 WT1 H ATOM 2756 OH2 TIP3W1011 9.063 18.709 -16.319 1.00 0.00 WT1 O ATOM 2757 H1 TIP3W1011 9.079 19.623 -15.948 1.00 0.00 WT1 H ATOM 2758 H2 TIP3W1011 9.973 18.601 -16.593 1.00 0.00 WT1 H ATOM 2759 OH2 TIP3W1013 5.925 15.925 -7.439 1.00 0.00 WT1 O ATOM 2760 H1 TIP3W1013 5.535 15.050 -7.374 1.00 0.00 WT1 H ATOM 2761 H2 TIP3W1013 5.169 16.554 -7.743 1.00 0.00 WT1 H ATOM 2762 OH2 TIP3W1017 14.094 16.630 -5.355 1.00 0.00 WT1 O ATOM 2763 H1 TIP3W1017 14.886 16.736 -5.872 1.00 0.00 WT1 H ATOM 2764 H2 TIP3W1017 14.251 17.154 -4.560 1.00 0.00 WT1 H ATOM 2765 OH2 TIP3W1018 6.679 18.190 -10.956 1.00 0.00 WT1 O ATOM 2766 H1 TIP3W1018 6.361 17.995 -10.093 1.00 0.00 WT1 H ATOM 2767 H2 TIP3W1018 7.657 18.287 -10.871 1.00 0.00 WT1 H ATOM 2768 OH2 TIP3W1022 11.407 16.281 18.924 1.00 0.00 WT1 O ATOM 2769 H1 TIP3W1022 11.557 15.423 19.390 1.00 0.00 WT1 H ATOM 2770 H2 TIP3W1022 10.545 16.183 18.448 1.00 0.00 WT1 H ATOM 2771 OH2 TIP3W1023 11.297 23.913 11.009 1.00 0.00 WT1 O ATOM 2772 H1 TIP3W1023 10.372 23.663 11.306 1.00 0.00 WT1 H ATOM 2773 H2 TIP3W1023 11.778 23.565 11.714 1.00 0.00 WT1 H ATOM 2774 OH2 TIP3W1027 19.468 13.788 -20.341 1.00 0.00 WT1 O ATOM 2775 H1 TIP3W1027 19.596 14.693 -20.634 1.00 0.00 WT1 H ATOM 2776 H2 TIP3W1027 18.485 13.789 -20.207 1.00 0.00 WT1 H ATOM 2777 OH2 TIP3W1032 12.239 8.171 -17.472 1.00 0.00 WT1 O ATOM 2778 H1 TIP3W1032 11.674 8.910 -17.882 1.00 0.00 WT1 H ATOM 2779 H2 TIP3W1032 11.628 7.581 -16.974 1.00 0.00 WT1 H ATOM 2780 OH2 TIP3W1033 14.519 25.505 -19.821 1.00 0.00 WT1 O ATOM 2781 H1 TIP3W1033 13.707 25.858 -20.274 1.00 0.00 WT1 H ATOM 2782 H2 TIP3W1033 14.833 26.242 -19.170 1.00 0.00 WT1 H ATOM 2783 OH2 TIP3W1036 52.149 25.412 4.276 1.00 0.00 WT1 O ATOM 2784 H1 TIP3W1036 52.517 26.258 4.017 1.00 0.00 WT1 H ATOM 2785 H2 TIP3W1036 51.567 25.662 4.932 1.00 0.00 WT1 H ATOM 2786 OH2 TIP3W1039 13.369 31.952 9.804 1.00 0.00 WT1 O ATOM 2787 H1 TIP3W1039 13.608 31.118 9.327 1.00 0.00 WT1 H ATOM 2788 H2 TIP3W1039 13.496 31.684 10.729 1.00 0.00 WT1 H ATOM 2789 OH2 TIP3W1040 11.435 24.578 -5.589 1.00 0.00 WT1 O ATOM 2790 H1 TIP3W1040 11.615 25.482 -5.800 1.00 0.00 WT1 H ATOM 2791 H2 TIP3W1040 10.595 24.459 -6.060 1.00 0.00 WT1 H ATOM 2792 OH2 TIP3W1042 18.485 11.948 19.651 1.00 0.00 WT1 O ATOM 2793 H1 TIP3W1042 18.386 12.129 18.692 1.00 0.00 WT1 H ATOM 2794 H2 TIP3W1042 19.168 12.560 19.951 1.00 0.00 WT1 H ATOM 2795 OH2 TIP3W1043 7.094 24.478 19.777 1.00 0.00 WT1 O ATOM 2796 H1 TIP3W1043 6.837 24.689 20.696 1.00 0.00 WT1 H ATOM 2797 H2 TIP3W1043 8.040 24.736 19.710 1.00 0.00 WT1 H ATOM 2798 OH2 TIP3W1055 12.767 29.581 -20.934 1.00 0.00 WT1 O ATOM 2799 H1 TIP3W1055 12.554 30.234 -20.280 1.00 0.00 WT1 H ATOM 2800 H2 TIP3W1055 12.119 28.875 -20.727 1.00 0.00 WT1 H ATOM 2801 OH2 TIP3W1058 10.559 26.305 -8.126 1.00 0.00 WT1 O ATOM 2802 H1 TIP3W1058 10.773 26.928 -8.796 1.00 0.00 WT1 H ATOM 2803 H2 TIP3W1058 11.400 25.813 -7.946 1.00 0.00 WT1 H ATOM 2804 OH2 TIP3W1061 7.706 18.564 14.709 1.00 0.00 WT1 O ATOM 2805 H1 TIP3W1061 7.664 17.665 14.347 1.00 0.00 WT1 H ATOM 2806 H2 TIP3W1061 7.835 19.124 13.828 1.00 0.00 WT1 H ATOM 2807 OH2 TIP3W1062 19.808 24.881 15.922 1.00 0.00 WT1 O ATOM 2808 H1 TIP3W1062 19.419 25.716 15.889 1.00 0.00 WT1 H ATOM 2809 H2 TIP3W1062 19.759 24.545 15.040 1.00 0.00 WT1 H ATOM 2810 OH2 TIP3W1065 20.645 36.810 17.060 1.00 0.00 WT1 O ATOM 2811 H1 TIP3W1065 20.503 35.977 17.581 1.00 0.00 WT1 H ATOM 2812 H2 TIP3W1065 19.814 37.098 16.719 1.00 0.00 WT1 H ATOM 2813 OH2 TIP3W1066 8.051 31.838 9.726 1.00 0.00 WT1 O ATOM 2814 H1 TIP3W1066 9.007 31.677 9.596 1.00 0.00 WT1 H ATOM 2815 H2 TIP3W1066 7.980 32.490 10.399 1.00 0.00 WT1 H ATOM 2816 OH2 TIP3W1072 18.020 49.689 -9.676 1.00 0.00 WT1 O ATOM 2817 H1 TIP3W1072 18.555 50.459 -9.463 1.00 0.00 WT1 H ATOM 2818 H2 TIP3W1072 17.091 50.037 -9.487 1.00 0.00 WT1 H ATOM 2819 OH2 TIP3W1076 6.830 29.240 -15.537 1.00 0.00 WT1 O ATOM 2820 H1 TIP3W1076 6.982 28.321 -15.357 1.00 0.00 WT1 H ATOM 2821 H2 TIP3W1076 6.726 29.720 -14.649 1.00 0.00 WT1 H ATOM 2822 OH2 TIP3W1077 5.389 40.608 -12.106 1.00 0.00 WT1 O ATOM 2823 H1 TIP3W1077 4.689 41.288 -12.372 1.00 0.00 WT1 H ATOM 2824 H2 TIP3W1077 4.788 39.871 -11.856 1.00 0.00 WT1 H ATOM 2825 OH2 TIP3W1078 15.024 42.491 0.554 1.00 0.00 WT1 O ATOM 2826 H1 TIP3W1078 15.077 43.447 0.909 1.00 0.00 WT1 H ATOM 2827 H2 TIP3W1078 14.479 42.562 -0.203 1.00 0.00 WT1 H ATOM 2828 OH2 TIP3W1080 10.290 26.118 1.677 1.00 0.00 WT1 O ATOM 2829 H1 TIP3W1080 10.587 26.870 1.238 1.00 0.00 WT1 H ATOM 2830 H2 TIP3W1080 10.307 26.314 2.581 1.00 0.00 WT1 H ATOM 2831 OH2 TIP3W1081 12.001 33.495 5.342 1.00 0.00 WT1 O ATOM 2832 H1 TIP3W1081 12.758 33.423 4.705 1.00 0.00 WT1 H ATOM 2833 H2 TIP3W1081 12.500 33.573 6.193 1.00 0.00 WT1 H ATOM 2834 OH2 TIP3W1082 24.134 22.432 16.094 1.00 0.00 WT1 O ATOM 2835 H1 TIP3W1082 24.708 21.787 15.590 1.00 0.00 WT1 H ATOM 2836 H2 TIP3W1082 24.833 22.825 16.636 1.00 0.00 WT1 H ATOM 2837 OH2 TIP3W1083 35.147 37.939 20.682 1.00 0.00 WT1 O ATOM 2838 H1 TIP3W1083 34.435 38.439 20.251 1.00 0.00 WT1 H ATOM 2839 H2 TIP3W1083 35.141 38.350 21.533 1.00 0.00 WT1 H ATOM 2840 OH2 TIP3W1085 12.291 26.476 18.337 1.00 0.00 WT1 O ATOM 2841 H1 TIP3W1085 12.262 26.590 17.366 1.00 0.00 WT1 H ATOM 2842 H2 TIP3W1085 11.654 27.191 18.631 1.00 0.00 WT1 H ATOM 2843 OH2 TIP3W1090 17.040 23.109 18.839 1.00 0.00 WT1 O ATOM 2844 H1 TIP3W1090 17.016 22.132 18.840 1.00 0.00 WT1 H ATOM 2845 H2 TIP3W1090 17.975 23.259 19.184 1.00 0.00 WT1 H ATOM 2846 OH2 TIP3W1097 14.045 31.403 12.562 1.00 0.00 WT1 O ATOM 2847 H1 TIP3W1097 14.977 31.531 12.620 1.00 0.00 WT1 H ATOM 2848 H2 TIP3W1097 13.790 30.864 13.380 1.00 0.00 WT1 H ATOM 2849 OH2 TIP3W1098 7.569 28.325 -11.316 1.00 0.00 WT1 O ATOM 2850 H1 TIP3W1098 7.687 28.884 -12.071 1.00 0.00 WT1 H ATOM 2851 H2 TIP3W1098 6.808 27.794 -11.651 1.00 0.00 WT1 H ATOM 2852 OH2 TIP3W1099 17.159 33.945 4.859 1.00 0.00 WT1 O ATOM 2853 H1 TIP3W1099 17.886 33.437 4.556 1.00 0.00 WT1 H ATOM 2854 H2 TIP3W1099 16.553 33.278 5.210 1.00 0.00 WT1 H ATOM 2855 OH2 TIP3W1100 11.048 22.282 4.384 1.00 0.00 WT1 O ATOM 2856 H1 TIP3W1100 11.393 22.790 3.647 1.00 0.00 WT1 H ATOM 2857 H2 TIP3W1100 10.217 21.951 4.049 1.00 0.00 WT1 H ATOM 2858 OH2 TIP3W1102 12.004 23.344 22.071 1.00 0.00 WT1 O ATOM 2859 H1 TIP3W1102 11.172 22.981 22.344 1.00 0.00 WT1 H ATOM 2860 H2 TIP3W1102 11.863 24.252 22.218 1.00 0.00 WT1 H ATOM 2861 OH2 TIP3W1103 13.902 29.225 17.623 1.00 0.00 WT1 O ATOM 2862 H1 TIP3W1103 14.652 29.222 18.230 1.00 0.00 WT1 H ATOM 2863 H2 TIP3W1103 13.481 28.420 17.877 1.00 0.00 WT1 H ATOM 2864 OH2 TIP3W1104 5.688 30.288 9.333 1.00 0.00 WT1 O ATOM 2865 H1 TIP3W1104 6.460 30.742 9.760 1.00 0.00 WT1 H ATOM 2866 H2 TIP3W1104 5.367 29.631 9.980 1.00 0.00 WT1 H ATOM 2867 OH2 TIP3W1105 14.190 37.736 13.380 1.00 0.00 WT1 O ATOM 2868 H1 TIP3W1105 13.590 37.416 14.097 1.00 0.00 WT1 H ATOM 2869 H2 TIP3W1105 15.044 37.667 13.783 1.00 0.00 WT1 H ATOM 2870 OH2 TIP3W1107 11.193 25.397 13.338 1.00 0.00 WT1 O ATOM 2871 H1 TIP3W1107 10.975 25.071 12.404 1.00 0.00 WT1 H ATOM 2872 H2 TIP3W1107 10.320 25.290 13.795 1.00 0.00 WT1 H ATOM 2873 OH2 TIP3W1112 11.013 25.163 -16.946 1.00 0.00 WT1 O ATOM 2874 H1 TIP3W1112 11.717 25.777 -17.033 1.00 0.00 WT1 H ATOM 2875 H2 TIP3W1112 11.026 24.638 -17.781 1.00 0.00 WT1 H ATOM 2876 OH2 TIP3W1115 25.681 16.455 -15.919 1.00 0.00 WT1 O ATOM 2877 H1 TIP3W1115 25.041 15.760 -15.593 1.00 0.00 WT1 H ATOM 2878 H2 TIP3W1115 26.467 16.341 -15.415 1.00 0.00 WT1 H ATOM 2879 OH2 TIP3W1117 25.362 13.060 -17.502 1.00 0.00 WT1 O ATOM 2880 H1 TIP3W1117 24.974 12.595 -16.785 1.00 0.00 WT1 H ATOM 2881 H2 TIP3W1117 26.101 13.576 -17.047 1.00 0.00 WT1 H ATOM 2882 OH2 TIP3W1120 12.417 27.927 3.385 1.00 0.00 WT1 O ATOM 2883 H1 TIP3W1120 11.891 28.299 4.101 1.00 0.00 WT1 H ATOM 2884 H2 TIP3W1120 12.738 26.984 3.752 1.00 0.00 WT1 H ATOM 2885 OH2 TIP3W1121 15.384 35.792 5.473 1.00 0.00 WT1 O ATOM 2886 H1 TIP3W1121 15.541 36.119 6.427 1.00 0.00 WT1 H ATOM 2887 H2 TIP3W1121 16.063 35.021 5.278 1.00 0.00 WT1 H ATOM 2888 OH2 TIP3W1122 6.041 30.049 -0.789 1.00 0.00 WT1 O ATOM 2889 H1 TIP3W1122 6.192 29.432 -1.446 1.00 0.00 WT1 H ATOM 2890 H2 TIP3W1122 6.071 29.546 0.059 1.00 0.00 WT1 H ATOM 2891 OH2 TIP3W1123 14.356 32.965 17.667 1.00 0.00 WT1 O ATOM 2892 H1 TIP3W1123 13.665 33.402 18.204 1.00 0.00 WT1 H ATOM 2893 H2 TIP3W1123 14.622 32.252 18.271 1.00 0.00 WT1 H ATOM 2894 OH2 TIP3W1125 6.865 43.810 17.854 1.00 0.00 WT1 O ATOM 2895 H1 TIP3W1125 7.187 44.317 18.659 1.00 0.00 WT1 H ATOM 2896 H2 TIP3W1125 5.950 43.466 18.109 1.00 0.00 WT1 H ATOM 2897 OH2 TIP3W1128 26.597 38.589 15.679 1.00 0.00 WT1 O ATOM 2898 H1 TIP3W1128 27.093 39.391 15.760 1.00 0.00 WT1 H ATOM 2899 H2 TIP3W1128 26.387 38.397 16.563 1.00 0.00 WT1 H ATOM 2900 OH2 TIP3W1134 25.268 41.285 -18.197 1.00 0.00 WT1 O ATOM 2901 H1 TIP3W1134 25.471 42.241 -18.443 1.00 0.00 WT1 H ATOM 2902 H2 TIP3W1134 24.294 41.329 -18.266 1.00 0.00 WT1 H ATOM 2903 OH2 TIP3W1135 14.569 47.773 -10.217 1.00 0.00 WT1 O ATOM 2904 H1 TIP3W1135 14.920 48.359 -10.943 1.00 0.00 WT1 H ATOM 2905 H2 TIP3W1135 15.331 47.163 -10.082 1.00 0.00 WT1 H ATOM 2906 OH2 TIP3W1137 49.202 28.324 -8.107 1.00 0.00 WT1 O ATOM 2907 H1 TIP3W1137 48.835 29.081 -7.581 1.00 0.00 WT1 H ATOM 2908 H2 TIP3W1137 49.301 27.539 -7.482 1.00 0.00 WT1 H ATOM 2909 OH2 TIP3W1139 12.128 45.913 -7.359 1.00 0.00 WT1 O ATOM 2910 H1 TIP3W1139 11.572 46.669 -7.281 1.00 0.00 WT1 H ATOM 2911 H2 TIP3W1139 12.758 46.067 -6.613 1.00 0.00 WT1 H ATOM 2912 OH2 TIP3W1143 11.574 39.262 8.124 1.00 0.00 WT1 O ATOM 2913 H1 TIP3W1143 12.468 38.972 7.838 1.00 0.00 WT1 H ATOM 2914 H2 TIP3W1143 11.182 39.698 7.362 1.00 0.00 WT1 H ATOM 2915 OH2 TIP3W1144 14.588 43.000 11.258 1.00 0.00 WT1 O ATOM 2916 H1 TIP3W1144 15.084 42.167 11.002 1.00 0.00 WT1 H ATOM 2917 H2 TIP3W1144 13.711 42.920 10.726 1.00 0.00 WT1 H ATOM 2918 OH2 TIP3W1147 18.454 26.282 13.523 1.00 0.00 WT1 O ATOM 2919 H1 TIP3W1147 17.823 26.213 14.268 1.00 0.00 WT1 H ATOM 2920 H2 TIP3W1147 18.249 25.581 12.933 1.00 0.00 WT1 H ATOM 2921 OH2 TIP3W1148 11.400 21.183 15.820 1.00 0.00 WT1 O ATOM 2922 H1 TIP3W1148 10.416 21.005 15.838 1.00 0.00 WT1 H ATOM 2923 H2 TIP3W1148 11.710 20.561 16.513 1.00 0.00 WT1 H ATOM 2924 OH2 TIP3W1150 25.198 40.812 18.748 1.00 0.00 WT1 O ATOM 2925 H1 TIP3W1150 25.825 41.182 18.050 1.00 0.00 WT1 H ATOM 2926 H2 TIP3W1150 25.842 40.388 19.365 1.00 0.00 WT1 H ATOM 2927 OH2 TIP3W1155 12.133 49.000 -19.469 1.00 0.00 WT1 O ATOM 2928 H1 TIP3W1155 12.073 48.977 -18.491 1.00 0.00 WT1 H ATOM 2929 H2 TIP3W1155 11.959 49.923 -19.679 1.00 0.00 WT1 H ATOM 2930 OH2 TIP3W1160 17.329 47.671 -7.841 1.00 0.00 WT1 O ATOM 2931 H1 TIP3W1160 17.845 48.129 -8.501 1.00 0.00 WT1 H ATOM 2932 H2 TIP3W1160 17.741 47.750 -6.961 1.00 0.00 WT1 H ATOM 2933 OH2 TIP3W1162 23.832 49.004 -12.189 1.00 0.00 WT1 O ATOM 2934 H1 TIP3W1162 24.577 49.555 -12.522 1.00 0.00 WT1 H ATOM 2935 H2 TIP3W1162 23.809 49.166 -11.221 1.00 0.00 WT1 H ATOM 2936 OH2 TIP3W1163 7.637 45.994 -2.682 1.00 0.00 WT1 O ATOM 2937 H1 TIP3W1163 7.327 46.837 -2.359 1.00 0.00 WT1 H ATOM 2938 H2 TIP3W1163 8.555 45.955 -2.508 1.00 0.00 WT1 H ATOM 2939 OH2 TIP3W1164 20.090 19.644 13.112 1.00 0.00 WT1 O ATOM 2940 H1 TIP3W1164 19.989 19.432 14.003 1.00 0.00 WT1 H ATOM 2941 H2 TIP3W1164 21.060 19.879 12.997 1.00 0.00 WT1 H ATOM 2942 OH2 TIP3W1166 22.749 47.218 14.549 1.00 0.00 WT1 O ATOM 2943 H1 TIP3W1166 22.528 46.296 14.546 1.00 0.00 WT1 H ATOM 2944 H2 TIP3W1166 22.543 47.574 15.473 1.00 0.00 WT1 H ATOM 2945 OH2 TIP3W1167 9.570 36.503 19.142 1.00 0.00 WT1 O ATOM 2946 H1 TIP3W1167 10.087 37.257 18.873 1.00 0.00 WT1 H ATOM 2947 H2 TIP3W1167 9.908 35.784 18.602 1.00 0.00 WT1 H ATOM 2948 OH2 TIP3W1178 12.543 37.342 -18.458 1.00 0.00 WT1 O ATOM 2949 H1 TIP3W1178 13.109 36.845 -17.907 1.00 0.00 WT1 H ATOM 2950 H2 TIP3W1178 12.228 38.041 -17.838 1.00 0.00 WT1 H ATOM 2951 OH2 TIP3W1179 13.198 40.772 -13.432 1.00 0.00 WT1 O ATOM 2952 H1 TIP3W1179 13.205 41.235 -14.340 1.00 0.00 WT1 H ATOM 2953 H2 TIP3W1179 13.866 41.321 -12.995 1.00 0.00 WT1 H ATOM 2954 OH2 TIP3W1180 12.442 44.119 -12.106 1.00 0.00 WT1 O ATOM 2955 H1 TIP3W1180 11.589 44.295 -12.549 1.00 0.00 WT1 H ATOM 2956 H2 TIP3W1180 12.513 44.850 -11.461 1.00 0.00 WT1 H ATOM 2957 OH2 TIP3W1182 8.644 37.648 7.172 1.00 0.00 WT1 O ATOM 2958 H1 TIP3W1182 9.415 37.734 6.673 1.00 0.00 WT1 H ATOM 2959 H2 TIP3W1182 8.230 36.871 6.786 1.00 0.00 WT1 H ATOM 2960 OH2 TIP3W1186 10.254 28.575 15.761 1.00 0.00 WT1 O ATOM 2961 H1 TIP3W1186 9.745 28.291 16.518 1.00 0.00 WT1 H ATOM 2962 H2 TIP3W1186 10.809 27.833 15.528 1.00 0.00 WT1 H ATOM 2963 OH2 TIP3W1187 26.593 37.882 18.434 1.00 0.00 WT1 O ATOM 2964 H1 TIP3W1187 26.851 36.999 18.752 1.00 0.00 WT1 H ATOM 2965 H2 TIP3W1187 26.061 38.282 19.146 1.00 0.00 WT1 H ATOM 2966 OH2 TIP3W1188 13.813 38.284 6.863 1.00 0.00 WT1 O ATOM 2967 H1 TIP3W1188 14.300 38.121 5.987 1.00 0.00 WT1 H ATOM 2968 H2 TIP3W1188 14.512 38.561 7.540 1.00 0.00 WT1 H ATOM 2969 OH2 TIP3W1194 9.236 37.261 15.789 1.00 0.00 WT1 O ATOM 2970 H1 TIP3W1194 8.784 38.087 16.094 1.00 0.00 WT1 H ATOM 2971 H2 TIP3W1194 8.521 36.710 15.415 1.00 0.00 WT1 H ATOM 2972 OH2 TIP3W1200 10.946 37.078 -12.487 1.00 0.00 WT1 O ATOM 2973 H1 TIP3W1200 10.276 36.753 -12.971 1.00 0.00 WT1 H ATOM 2974 H2 TIP3W1200 10.648 37.923 -12.039 1.00 0.00 WT1 H ATOM 2975 OH2 TIP3W1204 9.218 39.748 2.855 1.00 0.00 WT1 O ATOM 2976 H1 TIP3W1204 9.642 38.905 3.115 1.00 0.00 WT1 H ATOM 2977 H2 TIP3W1204 8.540 39.499 2.188 1.00 0.00 WT1 H ATOM 2978 OH2 TIP3W1206 10.142 43.086 2.044 1.00 0.00 WT1 O ATOM 2979 H1 TIP3W1206 10.591 42.291 1.840 1.00 0.00 WT1 H ATOM 2980 H2 TIP3W1206 9.308 42.805 2.375 1.00 0.00 WT1 H ATOM 2981 OH2 TIP3W1211 11.948 40.072 11.344 1.00 0.00 WT1 O ATOM 2982 H1 TIP3W1211 12.270 39.246 10.933 1.00 0.00 WT1 H ATOM 2983 H2 TIP3W1211 11.811 39.834 12.244 1.00 0.00 WT1 H ATOM 2984 OH2 TIP3W1212 16.282 48.265 9.468 1.00 0.00 WT1 O ATOM 2985 H1 TIP3W1212 16.192 47.294 9.483 1.00 0.00 WT1 H ATOM 2986 H2 TIP3W1212 16.879 48.510 8.762 1.00 0.00 WT1 H ATOM 2987 OH2 TIP3W1214 15.566 43.515 18.689 1.00 0.00 WT1 O ATOM 2988 H1 TIP3W1214 14.831 43.360 18.098 1.00 0.00 WT1 H ATOM 2989 H2 TIP3W1214 15.710 42.656 19.105 1.00 0.00 WT1 H ATOM 2990 OH2 TIP3W1215 16.760 40.913 19.613 1.00 0.00 WT1 O ATOM 2991 H1 TIP3W1215 17.363 40.369 19.053 1.00 0.00 WT1 H ATOM 2992 H2 TIP3W1215 17.293 41.119 20.359 1.00 0.00 WT1 H ATOM 2993 OH2 TIP3W1217 8.686 42.664 13.312 1.00 0.00 WT1 O ATOM 2994 H1 TIP3W1217 8.934 41.953 13.886 1.00 0.00 WT1 H ATOM 2995 H2 TIP3W1217 8.024 43.099 13.870 1.00 0.00 WT1 H ATOM 2996 OH2 TIP3W1223 20.031 42.581 -17.609 1.00 0.00 WT1 O ATOM 2997 H1 TIP3W1223 20.622 43.279 -17.239 1.00 0.00 WT1 H ATOM 2998 H2 TIP3W1223 19.860 42.989 -18.460 1.00 0.00 WT1 H ATOM 2999 OH2 TIP3W1230 11.982 47.629 18.103 1.00 0.00 WT1 O ATOM 3000 H1 TIP3W1230 11.084 47.303 17.953 1.00 0.00 WT1 H ATOM 3001 H2 TIP3W1230 11.987 48.070 18.976 1.00 0.00 WT1 H ATOM 3002 OH2 TIP3W1242 20.548 48.922 -18.113 1.00 0.00 WT1 O ATOM 3003 H1 TIP3W1242 19.830 49.350 -18.588 1.00 0.00 WT1 H ATOM 3004 H2 TIP3W1242 20.743 49.562 -17.408 1.00 0.00 WT1 H ATOM 3005 OH2 TIP3W1248 10.244 45.932 1.105 1.00 0.00 WT1 O ATOM 3006 H1 TIP3W1248 9.582 46.288 1.588 1.00 0.00 WT1 H ATOM 3007 H2 TIP3W1248 10.313 44.980 1.335 1.00 0.00 WT1 H ATOM 3008 OH2 TIP3W1249 9.855 50.807 12.909 1.00 0.00 WT1 O ATOM 3009 H1 TIP3W1249 10.221 50.524 13.781 1.00 0.00 WT1 H ATOM 3010 H2 TIP3W1249 10.306 50.107 12.393 1.00 0.00 WT1 H ATOM 3011 OH2 TIP3W1263 22.054 46.716 -10.339 1.00 0.00 WT1 O ATOM 3012 H1 TIP3W1263 21.399 47.420 -10.311 1.00 0.00 WT1 H ATOM 3013 H2 TIP3W1263 22.550 46.745 -9.481 1.00 0.00 WT1 H ATOM 3014 OH2 TIP3W1267 15.738 45.437 -17.064 1.00 0.00 WT1 O ATOM 3015 H1 TIP3W1267 16.199 45.253 -16.231 1.00 0.00 WT1 H ATOM 3016 H2 TIP3W1267 16.374 45.208 -17.736 1.00 0.00 WT1 H ATOM 3017 OH2 TIP3W1272 13.098 1.864 2.833 1.00 0.00 WT1 O ATOM 3018 H1 TIP3W1272 12.184 2.140 2.956 1.00 0.00 WT1 H ATOM 3019 H2 TIP3W1272 13.481 2.479 2.225 1.00 0.00 WT1 H ATOM 3020 OH2 TIP3W1274 11.749 -0.370 12.966 1.00 0.00 WT1 O ATOM 3021 H1 TIP3W1274 12.167 0.486 12.720 1.00 0.00 WT1 H ATOM 3022 H2 TIP3W1274 11.758 -0.884 12.182 1.00 0.00 WT1 H ATOM 3023 OH2 TIP3W1278 7.402 46.870 20.803 1.00 0.00 WT1 O ATOM 3024 H1 TIP3W1278 7.889 47.297 21.528 1.00 0.00 WT1 H ATOM 3025 H2 TIP3W1278 6.573 47.338 20.656 1.00 0.00 WT1 H ATOM 3026 OH2 TIP3W1287 9.753 48.094 8.686 1.00 0.00 WT1 O ATOM 3027 H1 TIP3W1287 9.607 47.835 7.768 1.00 0.00 WT1 H ATOM 3028 H2 TIP3W1287 9.023 47.811 9.132 1.00 0.00 WT1 H ATOM 3029 OH2 TIP3W1295 9.216 47.861 17.587 1.00 0.00 WT1 O ATOM 3030 H1 TIP3W1295 9.705 48.664 17.484 1.00 0.00 WT1 H ATOM 3031 H2 TIP3W1295 9.390 47.392 16.814 1.00 0.00 WT1 H ATOM 3032 OH2 TIP3W1297 13.256 8.841 21.899 1.00 0.00 WT1 O ATOM 3033 H1 TIP3W1297 12.417 8.455 22.244 1.00 0.00 WT1 H ATOM 3034 H2 TIP3W1297 13.738 8.070 21.635 1.00 0.00 WT1 H ATOM 3035 OH2 TIP3W1298 5.162 2.747 15.959 1.00 0.00 WT1 O ATOM 3036 H1 TIP3W1298 6.034 2.348 16.199 1.00 0.00 WT1 H ATOM 3037 H2 TIP3W1298 4.542 2.015 16.091 1.00 0.00 WT1 H ATOM 3038 OH2 TIP3W1301 7.630 0.009 -18.101 1.00 0.00 WT1 O ATOM 3039 H1 TIP3W1301 7.328 -0.167 -18.999 1.00 0.00 WT1 H ATOM 3040 H2 TIP3W1301 8.528 0.307 -18.261 1.00 0.00 WT1 H ATOM 3041 OH2 TIP3W1307 20.406 6.975 -11.166 1.00 0.00 WT1 O ATOM 3042 H1 TIP3W1307 20.395 7.960 -11.079 1.00 0.00 WT1 H ATOM 3043 H2 TIP3W1307 20.387 6.918 -12.173 1.00 0.00 WT1 H ATOM 3044 OH2 TIP3W1308 12.688 21.406 -7.720 1.00 0.00 WT1 O ATOM 3045 H1 TIP3W1308 13.437 21.655 -8.316 1.00 0.00 WT1 H ATOM 3046 H2 TIP3W1308 12.116 22.222 -7.682 1.00 0.00 WT1 H ATOM 3047 OH2 TIP3W1311 16.165 3.092 8.045 1.00 0.00 WT1 O ATOM 3048 H1 TIP3W1311 16.646 2.294 7.729 1.00 0.00 WT1 H ATOM 3049 H2 TIP3W1311 15.642 2.806 8.773 1.00 0.00 WT1 H ATOM 3050 OH2 TIP3W1317 13.389 3.352 21.377 1.00 0.00 WT1 O ATOM 3051 H1 TIP3W1317 14.219 3.777 21.134 1.00 0.00 WT1 H ATOM 3052 H2 TIP3W1317 13.594 2.615 21.880 1.00 0.00 WT1 H ATOM 3053 OH2 TIP3W1326 22.789 1.659 -20.416 1.00 0.00 WT1 O ATOM 3054 H1 TIP3W1326 21.846 1.778 -20.220 1.00 0.00 WT1 H ATOM 3055 H2 TIP3W1326 22.912 0.710 -20.597 1.00 0.00 WT1 H ATOM 3056 OH2 TIP3W1327 19.839 4.552 -13.275 1.00 0.00 WT1 O ATOM 3057 H1 TIP3W1327 20.708 4.202 -12.982 1.00 0.00 WT1 H ATOM 3058 H2 TIP3W1327 19.533 3.903 -13.927 1.00 0.00 WT1 H ATOM 3059 OH2 TIP3W1328 8.849 1.175 -13.499 1.00 0.00 WT1 O ATOM 3060 H1 TIP3W1328 9.770 1.272 -13.671 1.00 0.00 WT1 H ATOM 3061 H2 TIP3W1328 8.744 0.186 -13.431 1.00 0.00 WT1 H ATOM 3062 OH2 TIP3W1329 24.338 5.650 -12.772 1.00 0.00 WT1 O ATOM 3063 H1 TIP3W1329 24.985 6.285 -12.712 1.00 0.00 WT1 H ATOM 3064 H2 TIP3W1329 23.695 6.143 -13.267 1.00 0.00 WT1 H ATOM 3065 OH2 TIP3W1332 18.987 1.358 7.507 1.00 0.00 WT1 O ATOM 3066 H1 TIP3W1332 18.970 2.200 7.017 1.00 0.00 WT1 H ATOM 3067 H2 TIP3W1332 18.851 0.772 6.759 1.00 0.00 WT1 H ATOM 3068 OH2 TIP3W1333 22.660 5.548 -4.179 1.00 0.00 WT1 O ATOM 3069 H1 TIP3W1333 22.725 5.861 -5.092 1.00 0.00 WT1 H ATOM 3070 H2 TIP3W1333 21.708 5.729 -4.010 1.00 0.00 WT1 H ATOM 3071 OH2 TIP3W1334 22.982 6.432 21.816 1.00 0.00 WT1 O ATOM 3072 H1 TIP3W1334 23.920 6.371 21.655 1.00 0.00 WT1 H ATOM 3073 H2 TIP3W1334 22.536 6.758 21.030 1.00 0.00 WT1 H ATOM 3074 OH2 TIP3W1337 15.901 7.073 21.407 1.00 0.00 WT1 O ATOM 3075 H1 TIP3W1337 15.643 6.121 21.470 1.00 0.00 WT1 H ATOM 3076 H2 TIP3W1337 16.776 7.019 21.740 1.00 0.00 WT1 H ATOM 3077 OH2 TIP3W1344 13.193 20.151 -16.034 1.00 0.00 WT1 O ATOM 3078 H1 TIP3W1344 13.015 20.802 -15.348 1.00 0.00 WT1 H ATOM 3079 H2 TIP3W1344 13.667 20.578 -16.717 1.00 0.00 WT1 H ATOM 3080 OH2 TIP3W1346 23.709 10.934 -19.814 1.00 0.00 WT1 O ATOM 3081 H1 TIP3W1346 24.025 10.069 -20.196 1.00 0.00 WT1 H ATOM 3082 H2 TIP3W1346 23.401 10.629 -18.948 1.00 0.00 WT1 H ATOM 3083 OH2 TIP3W1347 28.475 5.389 -16.019 1.00 0.00 WT1 O ATOM 3084 H1 TIP3W1347 28.177 5.180 -16.921 1.00 0.00 WT1 H ATOM 3085 H2 TIP3W1347 27.672 5.747 -15.543 1.00 0.00 WT1 H ATOM 3086 OH2 TIP3W1349 17.103 11.934 -9.626 1.00 0.00 WT1 O ATOM 3087 H1 TIP3W1349 17.097 12.118 -10.571 1.00 0.00 WT1 H ATOM 3088 H2 TIP3W1349 16.305 12.364 -9.395 1.00 0.00 WT1 H ATOM 3089 OH2 TIP3W1352 10.977 6.117 -12.148 1.00 0.00 WT1 O ATOM 3090 H1 TIP3W1352 10.413 5.545 -11.498 1.00 0.00 WT1 H ATOM 3091 H2 TIP3W1352 11.868 5.862 -11.748 1.00 0.00 WT1 H ATOM 3092 OH2 TIP3W1354 4.492 21.973 -0.433 1.00 0.00 WT1 O ATOM 3093 H1 TIP3W1354 4.611 22.155 0.552 1.00 0.00 WT1 H ATOM 3094 H2 TIP3W1354 5.311 21.437 -0.574 1.00 0.00 WT1 H ATOM 3095 OH2 TIP3W1356 10.091 7.540 4.142 1.00 0.00 WT1 O ATOM 3096 H1 TIP3W1356 10.489 7.747 3.259 1.00 0.00 WT1 H ATOM 3097 H2 TIP3W1356 10.781 7.003 4.569 1.00 0.00 WT1 H ATOM 3098 OH2 TIP3W1357 17.738 7.209 18.893 1.00 0.00 WT1 O ATOM 3099 H1 TIP3W1357 17.210 7.172 18.085 1.00 0.00 WT1 H ATOM 3100 H2 TIP3W1357 17.111 7.436 19.630 1.00 0.00 WT1 H ATOM 3101 OH2 TIP3W1367 14.439 16.055 -15.244 1.00 0.00 WT1 O ATOM 3102 H1 TIP3W1367 13.541 16.037 -14.874 1.00 0.00 WT1 H ATOM 3103 H2 TIP3W1367 14.418 15.272 -15.809 1.00 0.00 WT1 H ATOM 3104 OH2 TIP3W1368 26.722 6.176 -9.129 1.00 0.00 WT1 O ATOM 3105 H1 TIP3W1368 26.162 6.550 -8.406 1.00 0.00 WT1 H ATOM 3106 H2 TIP3W1368 26.268 5.339 -9.301 1.00 0.00 WT1 H ATOM 3107 OH2 TIP3W1370 8.964 4.287 -16.771 1.00 0.00 WT1 O ATOM 3108 H1 TIP3W1370 9.369 3.696 -17.399 1.00 0.00 WT1 H ATOM 3109 H2 TIP3W1370 9.719 4.355 -16.160 1.00 0.00 WT1 H ATOM 3110 OH2 TIP3W1371 16.646 13.475 -12.444 1.00 0.00 WT1 O ATOM 3111 H1 TIP3W1371 16.159 14.158 -12.911 1.00 0.00 WT1 H ATOM 3112 H2 TIP3W1371 15.878 12.945 -12.024 1.00 0.00 WT1 H ATOM 3113 OH2 TIP3W1372 9.497 0.269 2.894 1.00 0.00 WT1 O ATOM 3114 H1 TIP3W1372 9.806 1.163 2.945 1.00 0.00 WT1 H ATOM 3115 H2 TIP3W1372 8.479 0.443 2.973 1.00 0.00 WT1 H ATOM 3116 OH2 TIP3W1374 9.798 12.825 -8.582 1.00 0.00 WT1 O ATOM 3117 H1 TIP3W1374 10.589 12.696 -8.085 1.00 0.00 WT1 H ATOM 3118 H2 TIP3W1374 9.174 12.561 -7.916 1.00 0.00 WT1 H ATOM 3119 OH2 TIP3W1379 15.774 1.371 18.778 1.00 0.00 WT1 O ATOM 3120 H1 TIP3W1379 15.534 2.293 18.844 1.00 0.00 WT1 H ATOM 3121 H2 TIP3W1379 16.699 1.403 19.206 1.00 0.00 WT1 H ATOM 3122 OH2 TIP3W1380 10.717 16.575 21.951 1.00 0.00 WT1 O ATOM 3123 H1 TIP3W1380 11.490 16.521 21.432 1.00 0.00 WT1 H ATOM 3124 H2 TIP3W1380 10.414 17.537 21.821 1.00 0.00 WT1 H ATOM 3125 OH2 TIP3W1387 7.996 6.923 -18.393 1.00 0.00 WT1 O ATOM 3126 H1 TIP3W1387 8.804 6.500 -18.710 1.00 0.00 WT1 H ATOM 3127 H2 TIP3W1387 7.351 6.297 -18.597 1.00 0.00 WT1 H ATOM 3128 OH2 TIP3W1389 19.737 12.469 -8.376 1.00 0.00 WT1 O ATOM 3129 H1 TIP3W1389 19.908 13.273 -7.879 1.00 0.00 WT1 H ATOM 3130 H2 TIP3W1389 18.879 12.602 -8.800 1.00 0.00 WT1 H ATOM 3131 OH2 TIP3W1394 18.275 5.900 6.484 1.00 0.00 WT1 O ATOM 3132 H1 TIP3W1394 17.937 6.772 6.860 1.00 0.00 WT1 H ATOM 3133 H2 TIP3W1394 18.444 5.278 7.235 1.00 0.00 WT1 H ATOM 3134 OH2 TIP3W1395 8.045 7.069 18.872 1.00 0.00 WT1 O ATOM 3135 H1 TIP3W1395 7.408 6.572 18.309 1.00 0.00 WT1 H ATOM 3136 H2 TIP3W1395 7.630 6.987 19.746 1.00 0.00 WT1 H ATOM 3137 OH2 TIP3W1398 19.938 2.458 10.155 1.00 0.00 WT1 O ATOM 3138 H1 TIP3W1398 20.005 1.973 9.373 1.00 0.00 WT1 H ATOM 3139 H2 TIP3W1398 19.997 1.797 10.828 1.00 0.00 WT1 H ATOM 3140 OH2 TIP3W1401 5.837 5.299 18.091 1.00 0.00 WT1 O ATOM 3141 H1 TIP3W1401 6.194 4.551 17.596 1.00 0.00 WT1 H ATOM 3142 H2 TIP3W1401 5.358 4.833 18.799 1.00 0.00 WT1 H ATOM 3143 OH2 TIP3W1407 17.573 22.083 -14.468 1.00 0.00 WT1 O ATOM 3144 H1 TIP3W1407 18.393 22.470 -14.105 1.00 0.00 WT1 H ATOM 3145 H2 TIP3W1407 17.979 21.373 -15.055 1.00 0.00 WT1 H ATOM 3146 OH2 TIP3W1411 14.340 10.011 -18.360 1.00 0.00 WT1 O ATOM 3147 H1 TIP3W1411 13.584 9.397 -18.372 1.00 0.00 WT1 H ATOM 3148 H2 TIP3W1411 14.843 9.932 -19.133 1.00 0.00 WT1 H ATOM 3149 OH2 TIP3W1412 14.860 8.114 -10.479 1.00 0.00 WT1 O ATOM 3150 H1 TIP3W1412 14.365 8.913 -10.398 1.00 0.00 WT1 H ATOM 3151 H2 TIP3W1412 15.770 8.416 -10.457 1.00 0.00 WT1 H ATOM 3152 OH2 TIP3W1413 21.506 16.608 -8.017 1.00 0.00 WT1 O ATOM 3153 H1 TIP3W1413 21.802 15.655 -8.044 1.00 0.00 WT1 H ATOM 3154 H2 TIP3W1413 21.178 16.652 -8.939 1.00 0.00 WT1 H ATOM 3155 OH2 TIP3W1414 6.315 16.366 -0.672 1.00 0.00 WT1 O ATOM 3156 H1 TIP3W1414 7.083 15.895 -0.196 1.00 0.00 WT1 H ATOM 3157 H2 TIP3W1414 6.483 17.328 -0.529 1.00 0.00 WT1 H ATOM 3158 OH2 TIP3W1416 12.306 15.476 6.803 1.00 0.00 WT1 O ATOM 3159 H1 TIP3W1416 11.698 15.261 6.062 1.00 0.00 WT1 H ATOM 3160 H2 TIP3W1416 12.581 16.408 6.516 1.00 0.00 WT1 H ATOM 3161 OH2 TIP3W1418 15.766 0.920 -2.209 1.00 0.00 WT1 O ATOM 3162 H1 TIP3W1418 15.041 1.501 -2.064 1.00 0.00 WT1 H ATOM 3163 H2 TIP3W1418 15.856 0.432 -1.393 1.00 0.00 WT1 H ATOM 3164 OH2 TIP3W1419 17.882 20.245 18.229 1.00 0.00 WT1 O ATOM 3165 H1 TIP3W1419 18.601 20.738 17.754 1.00 0.00 WT1 H ATOM 3166 H2 TIP3W1419 17.739 19.388 17.814 1.00 0.00 WT1 H ATOM 3167 OH2 TIP3W1421 19.950 21.473 16.821 1.00 0.00 WT1 O ATOM 3168 H1 TIP3W1421 20.553 22.231 16.871 1.00 0.00 WT1 H ATOM 3169 H2 TIP3W1421 20.564 20.718 16.863 1.00 0.00 WT1 H ATOM 3170 OH2 TIP3W1428 17.378 1.484 -11.645 1.00 0.00 WT1 O ATOM 3171 H1 TIP3W1428 17.113 1.043 -12.499 1.00 0.00 WT1 H ATOM 3172 H2 TIP3W1428 18.320 1.419 -11.682 1.00 0.00 WT1 H ATOM 3173 OH2 TIP3W1429 9.760 7.637 -16.457 1.00 0.00 WT1 O ATOM 3174 H1 TIP3W1429 9.032 7.410 -17.083 1.00 0.00 WT1 H ATOM 3175 H2 TIP3W1429 9.249 7.340 -15.677 1.00 0.00 WT1 H ATOM 3176 OH2 TIP3W1430 14.123 24.189 -7.064 1.00 0.00 WT1 O ATOM 3177 H1 TIP3W1430 14.966 24.446 -6.630 1.00 0.00 WT1 H ATOM 3178 H2 TIP3W1430 13.506 24.715 -6.519 1.00 0.00 WT1 H ATOM 3179 OH2 TIP3W1431 33.267 20.292 -16.291 1.00 0.00 WT1 O ATOM 3180 H1 TIP3W1431 32.445 19.973 -16.731 1.00 0.00 WT1 H ATOM 3181 H2 TIP3W1431 32.971 21.063 -15.719 1.00 0.00 WT1 H ATOM 3182 OH2 TIP3W1433 7.607 17.341 -4.491 1.00 0.00 WT1 O ATOM 3183 H1 TIP3W1433 8.223 17.842 -3.969 1.00 0.00 WT1 H ATOM 3184 H2 TIP3W1433 7.926 17.505 -5.386 1.00 0.00 WT1 H ATOM 3185 OH2 TIP3W1435 10.907 14.524 -0.331 1.00 0.00 WT1 O ATOM 3186 H1 TIP3W1435 11.467 13.730 -0.594 1.00 0.00 WT1 H ATOM 3187 H2 TIP3W1435 11.515 15.021 0.227 1.00 0.00 WT1 H ATOM 3188 OH2 TIP3W1436 8.694 24.946 14.415 1.00 0.00 WT1 O ATOM 3189 H1 TIP3W1436 8.820 24.399 15.213 1.00 0.00 WT1 H ATOM 3190 H2 TIP3W1436 8.054 25.619 14.662 1.00 0.00 WT1 H ATOM 3191 OH2 TIP3W1437 19.228 3.580 5.666 1.00 0.00 WT1 O ATOM 3192 H1 TIP3W1437 18.902 4.504 5.716 1.00 0.00 WT1 H ATOM 3193 H2 TIP3W1437 20.139 3.645 5.346 1.00 0.00 WT1 H ATOM 3194 OH2 TIP3W1439 10.872 27.726 7.309 1.00 0.00 WT1 O ATOM 3195 H1 TIP3W1439 11.867 27.697 7.453 1.00 0.00 WT1 H ATOM 3196 H2 TIP3W1439 10.817 28.311 6.502 1.00 0.00 WT1 H ATOM 3197 OH2 TIP3W1440 5.753 2.550 -3.167 1.00 0.00 WT1 O ATOM 3198 H1 TIP3W1440 5.846 1.620 -3.547 1.00 0.00 WT1 H ATOM 3199 H2 TIP3W1440 4.899 2.852 -3.538 1.00 0.00 WT1 H ATOM 3200 OH2 TIP3W1442 10.558 12.075 2.438 1.00 0.00 WT1 O ATOM 3201 H1 TIP3W1442 11.367 12.392 2.077 1.00 0.00 WT1 H ATOM 3202 H2 TIP3W1442 10.561 12.371 3.338 1.00 0.00 WT1 H ATOM 3203 OH2 TIP3W1443 12.343 31.343 20.104 1.00 0.00 WT1 O ATOM 3204 H1 TIP3W1443 12.368 32.277 19.898 1.00 0.00 WT1 H ATOM 3205 H2 TIP3W1443 12.333 30.896 19.233 1.00 0.00 WT1 H ATOM 3206 OH2 TIP3W1450 24.565 24.553 -18.665 1.00 0.00 WT1 O ATOM 3207 H1 TIP3W1450 24.782 24.981 -17.840 1.00 0.00 WT1 H ATOM 3208 H2 TIP3W1450 24.178 23.668 -18.468 1.00 0.00 WT1 H ATOM 3209 OH2 TIP3W1451 7.558 21.446 -18.093 1.00 0.00 WT1 O ATOM 3210 H1 TIP3W1451 6.972 20.904 -17.546 1.00 0.00 WT1 H ATOM 3211 H2 TIP3W1451 8.416 20.980 -18.013 1.00 0.00 WT1 H ATOM 3212 OH2 TIP3W1453 22.215 26.713 -15.346 1.00 0.00 WT1 O ATOM 3213 H1 TIP3W1453 21.484 27.076 -15.832 1.00 0.00 WT1 H ATOM 3214 H2 TIP3W1453 21.784 26.042 -14.814 1.00 0.00 WT1 H ATOM 3215 OH2 TIP3W1454 13.253 18.177 -12.401 1.00 0.00 WT1 O ATOM 3216 H1 TIP3W1454 14.200 18.236 -12.620 1.00 0.00 WT1 H ATOM 3217 H2 TIP3W1454 12.861 17.772 -13.208 1.00 0.00 WT1 H ATOM 3218 OH2 TIP3W1456 11.598 13.783 19.921 1.00 0.00 WT1 O ATOM 3219 H1 TIP3W1456 12.295 13.285 20.391 1.00 0.00 WT1 H ATOM 3220 H2 TIP3W1456 10.778 13.528 20.343 1.00 0.00 WT1 H ATOM 3221 OH2 TIP3W1458 12.654 6.415 -1.365 1.00 0.00 WT1 O ATOM 3222 H1 TIP3W1458 12.789 6.862 -0.558 1.00 0.00 WT1 H ATOM 3223 H2 TIP3W1458 13.412 6.629 -1.894 1.00 0.00 WT1 H ATOM 3224 OH2 TIP3W1459 9.748 30.124 1.025 1.00 0.00 WT1 O ATOM 3225 H1 TIP3W1459 8.933 30.358 1.541 1.00 0.00 WT1 H ATOM 3226 H2 TIP3W1459 9.321 29.484 0.385 1.00 0.00 WT1 H ATOM 3227 OH2 TIP3W1460 25.975 23.890 18.184 1.00 0.00 WT1 O ATOM 3228 H1 TIP3W1460 25.362 23.569 18.810 1.00 0.00 WT1 H ATOM 3229 H2 TIP3W1460 26.761 24.107 18.718 1.00 0.00 WT1 H ATOM 3230 OH2 TIP3W1461 16.622 7.363 16.307 1.00 0.00 WT1 O ATOM 3231 H1 TIP3W1461 15.825 7.616 15.745 1.00 0.00 WT1 H ATOM 3232 H2 TIP3W1461 17.224 7.087 15.593 1.00 0.00 WT1 H ATOM 3233 OH2 TIP3W1463 11.506 22.480 19.442 1.00 0.00 WT1 O ATOM 3234 H1 TIP3W1463 11.797 23.054 20.235 1.00 0.00 WT1 H ATOM 3235 H2 TIP3W1463 12.042 22.792 18.720 1.00 0.00 WT1 H ATOM 3236 OH2 TIP3W1465 22.595 29.204 21.748 1.00 0.00 WT1 O ATOM 3237 H1 TIP3W1465 22.869 29.738 21.073 1.00 0.00 WT1 H ATOM 3238 H2 TIP3W1465 23.350 29.016 22.301 1.00 0.00 WT1 H ATOM 3239 OH2 TIP3W1466 8.192 31.687 -20.525 1.00 0.00 WT1 O ATOM 3240 H1 TIP3W1466 8.607 32.490 -20.163 1.00 0.00 WT1 H ATOM 3241 H2 TIP3W1466 8.940 31.046 -20.535 1.00 0.00 WT1 H ATOM 3242 OH2 TIP3W1471 26.202 8.060 -18.840 1.00 0.00 WT1 O ATOM 3243 H1 TIP3W1471 26.972 7.535 -18.787 1.00 0.00 WT1 H ATOM 3244 H2 TIP3W1471 25.589 7.480 -19.236 1.00 0.00 WT1 H ATOM 3245 OH2 TIP3W1474 11.211 20.127 -12.468 1.00 0.00 WT1 O ATOM 3246 H1 TIP3W1474 11.720 19.314 -12.410 1.00 0.00 WT1 H ATOM 3247 H2 TIP3W1474 11.784 20.647 -13.035 1.00 0.00 WT1 H ATOM 3248 OH2 TIP3W1476 8.368 16.776 7.091 1.00 0.00 WT1 O ATOM 3249 H1 TIP3W1476 7.585 16.170 7.086 1.00 0.00 WT1 H ATOM 3250 H2 TIP3W1476 9.146 16.223 7.460 1.00 0.00 WT1 H ATOM 3251 OH2 TIP3W1477 8.839 33.137 0.099 1.00 0.00 WT1 O ATOM 3252 H1 TIP3W1477 8.660 32.373 -0.455 1.00 0.00 WT1 H ATOM 3253 H2 TIP3W1477 8.318 33.889 -0.348 1.00 0.00 WT1 H ATOM 3254 OH2 TIP3W1479 14.371 23.796 14.567 1.00 0.00 WT1 O ATOM 3255 H1 TIP3W1479 14.501 24.655 14.060 1.00 0.00 WT1 H ATOM 3256 H2 TIP3W1479 15.360 23.567 14.716 1.00 0.00 WT1 H ATOM 3257 OH2 TIP3W1480 6.151 27.126 -2.313 1.00 0.00 WT1 O ATOM 3258 H1 TIP3W1480 6.896 26.722 -2.723 1.00 0.00 WT1 H ATOM 3259 H2 TIP3W1480 5.548 27.293 -3.053 1.00 0.00 WT1 H ATOM 3260 OH2 TIP3W1483 6.569 39.759 19.115 1.00 0.00 WT1 O ATOM 3261 H1 TIP3W1483 5.694 39.673 19.501 1.00 0.00 WT1 H ATOM 3262 H2 TIP3W1483 7.152 39.234 19.715 1.00 0.00 WT1 H ATOM 3263 OH2 TIP3W1485 19.282 34.539 20.690 1.00 0.00 WT1 O ATOM 3264 H1 TIP3W1485 18.626 33.837 20.768 1.00 0.00 WT1 H ATOM 3265 H2 TIP3W1485 20.065 34.071 21.014 1.00 0.00 WT1 H ATOM 3266 OH2 TIP3W1492 8.839 39.638 -20.426 1.00 0.00 WT1 O ATOM 3267 H1 TIP3W1492 9.109 38.737 -20.701 1.00 0.00 WT1 H ATOM 3268 H2 TIP3W1492 7.829 39.568 -20.602 1.00 0.00 WT1 H ATOM 3269 OH2 TIP3W1493 9.906 22.450 -3.032 1.00 0.00 WT1 O ATOM 3270 H1 TIP3W1493 10.037 23.332 -2.609 1.00 0.00 WT1 H ATOM 3271 H2 TIP3W1493 10.814 22.174 -3.363 1.00 0.00 WT1 H ATOM 3272 OH2 TIP3W1494 18.713 6.385 -6.582 1.00 0.00 WT1 O ATOM 3273 H1 TIP3W1494 17.842 6.776 -6.883 1.00 0.00 WT1 H ATOM 3274 H2 TIP3W1494 19.195 6.251 -7.421 1.00 0.00 WT1 H ATOM 3275 OH2 TIP3W1497 11.167 9.708 -14.965 1.00 0.00 WT1 O ATOM 3276 H1 TIP3W1497 10.417 10.320 -14.994 1.00 0.00 WT1 H ATOM 3277 H2 TIP3W1497 10.790 8.957 -15.441 1.00 0.00 WT1 H ATOM 3278 OH2 TIP3W1501 9.717 12.533 13.072 1.00 0.00 WT1 O ATOM 3279 H1 TIP3W1501 9.965 13.133 13.859 1.00 0.00 WT1 H ATOM 3280 H2 TIP3W1501 9.513 11.716 13.462 1.00 0.00 WT1 H ATOM 3281 OH2 TIP3W1502 14.693 26.334 20.343 1.00 0.00 WT1 O ATOM 3282 H1 TIP3W1502 14.078 27.088 20.255 1.00 0.00 WT1 H ATOM 3283 H2 TIP3W1502 14.085 25.675 20.022 1.00 0.00 WT1 H ATOM 3284 OH2 TIP3W1506 21.777 31.587 17.181 1.00 0.00 WT1 O ATOM 3285 H1 TIP3W1506 21.858 30.717 16.875 1.00 0.00 WT1 H ATOM 3286 H2 TIP3W1506 22.697 31.868 17.412 1.00 0.00 WT1 H ATOM 3287 OH2 TIP3W1507 22.648 45.346 17.546 1.00 0.00 WT1 O ATOM 3288 H1 TIP3W1507 23.558 45.335 17.159 1.00 0.00 WT1 H ATOM 3289 H2 TIP3W1507 22.727 45.887 18.362 1.00 0.00 WT1 H ATOM 3290 OH2 TIP3W1512 14.619 20.070 -10.313 1.00 0.00 WT1 O ATOM 3291 H1 TIP3W1512 15.324 19.498 -10.609 1.00 0.00 WT1 H ATOM 3292 H2 TIP3W1512 13.905 19.531 -10.611 1.00 0.00 WT1 H ATOM 3293 OH2 TIP3W1518 8.639 25.576 4.737 1.00 0.00 WT1 O ATOM 3294 H1 TIP3W1518 8.403 26.495 4.623 1.00 0.00 WT1 H ATOM 3295 H2 TIP3W1518 9.073 25.613 5.599 1.00 0.00 WT1 H ATOM 3296 OH2 TIP3W1520 14.799 27.982 14.873 1.00 0.00 WT1 O ATOM 3297 H1 TIP3W1520 14.633 28.918 15.005 1.00 0.00 WT1 H ATOM 3298 H2 TIP3W1520 14.228 27.782 14.076 1.00 0.00 WT1 H ATOM 3299 OH2 TIP3W1522 9.582 29.615 11.550 1.00 0.00 WT1 O ATOM 3300 H1 TIP3W1522 10.347 29.598 10.890 1.00 0.00 WT1 H ATOM 3301 H2 TIP3W1522 8.975 28.951 11.147 1.00 0.00 WT1 H ATOM 3302 OH2 TIP3W1524 5.657 28.740 19.183 1.00 0.00 WT1 O ATOM 3303 H1 TIP3W1524 5.694 27.892 18.761 1.00 0.00 WT1 H ATOM 3304 H2 TIP3W1524 4.867 29.093 18.800 1.00 0.00 WT1 H ATOM 3305 OH2 TIP3W1526 30.726 31.285 19.904 1.00 0.00 WT1 O ATOM 3306 H1 TIP3W1526 31.221 32.018 19.477 1.00 0.00 WT1 H ATOM 3307 H2 TIP3W1526 31.334 30.933 20.598 1.00 0.00 WT1 H ATOM 3308 OH2 TIP3W1527 5.323 32.067 20.651 1.00 0.00 WT1 O ATOM 3309 H1 TIP3W1527 4.667 31.384 20.663 1.00 0.00 WT1 H ATOM 3310 H2 TIP3W1527 4.853 32.867 21.007 1.00 0.00 WT1 H ATOM 3311 OH2 TIP3W1532 17.545 21.513 -6.161 1.00 0.00 WT1 O ATOM 3312 H1 TIP3W1532 16.923 21.095 -5.600 1.00 0.00 WT1 H ATOM 3313 H2 TIP3W1532 18.337 21.551 -5.614 1.00 0.00 WT1 H ATOM 3314 OH2 TIP3W1536 19.603 44.139 -20.013 1.00 0.00 WT1 O ATOM 3315 H1 TIP3W1536 20.308 44.761 -20.294 1.00 0.00 WT1 H ATOM 3316 H2 TIP3W1536 19.028 44.760 -19.507 1.00 0.00 WT1 H ATOM 3317 OH2 TIP3W1543 30.801 38.337 13.658 1.00 0.00 WT1 O ATOM 3318 H1 TIP3W1543 31.509 38.349 14.329 1.00 0.00 WT1 H ATOM 3319 H2 TIP3W1543 29.993 38.108 14.198 1.00 0.00 WT1 H ATOM 3320 OH2 TIP3W1544 26.494 6.383 16.287 1.00 0.00 WT1 O ATOM 3321 H1 TIP3W1544 25.803 6.323 15.540 1.00 0.00 WT1 H ATOM 3322 H2 TIP3W1544 27.190 6.873 15.879 1.00 0.00 WT1 H ATOM 3323 OH2 TIP3W1546 5.977 33.285 7.988 1.00 0.00 WT1 O ATOM 3324 H1 TIP3W1546 5.489 32.510 7.687 1.00 0.00 WT1 H ATOM 3325 H2 TIP3W1546 6.560 32.917 8.684 1.00 0.00 WT1 H ATOM 3326 OH2 TIP3W1552 10.310 30.875 -14.739 1.00 0.00 WT1 O ATOM 3327 H1 TIP3W1552 9.733 31.566 -15.061 1.00 0.00 WT1 H ATOM 3328 H2 TIP3W1552 11.116 31.377 -14.427 1.00 0.00 WT1 H ATOM 3329 OH2 TIP3W1557 6.344 37.677 3.007 1.00 0.00 WT1 O ATOM 3330 H1 TIP3W1557 5.599 37.978 2.458 1.00 0.00 WT1 H ATOM 3331 H2 TIP3W1557 6.619 38.516 3.486 1.00 0.00 WT1 H ATOM 3332 OH2 TIP3W1563 25.730 46.471 0.793 1.00 0.00 WT1 O ATOM 3333 H1 TIP3W1563 26.067 47.135 1.448 1.00 0.00 WT1 H ATOM 3334 H2 TIP3W1563 25.322 47.029 0.056 1.00 0.00 WT1 H ATOM 3335 OH2 TIP3W1565 15.603 40.047 11.746 1.00 0.00 WT1 O ATOM 3336 H1 TIP3W1565 14.789 39.604 12.145 1.00 0.00 WT1 H ATOM 3337 H2 TIP3W1565 16.177 39.286 11.625 1.00 0.00 WT1 H ATOM 3338 OH2 TIP3W1569 15.175 43.974 22.167 1.00 0.00 WT1 O ATOM 3339 H1 TIP3W1569 15.941 43.619 21.757 1.00 0.00 WT1 H ATOM 3340 H2 TIP3W1569 14.491 44.127 21.456 1.00 0.00 WT1 H ATOM 3341 OH2 TIP3W1570 11.085 43.361 22.392 1.00 0.00 WT1 O ATOM 3342 H1 TIP3W1570 10.362 43.222 21.763 1.00 0.00 WT1 H ATOM 3343 H2 TIP3W1570 11.719 42.657 22.125 1.00 0.00 WT1 H ATOM 3344 OH2 TIP3W1578 22.757 48.183 -19.499 1.00 0.00 WT1 O ATOM 3345 H1 TIP3W1578 22.062 48.429 -18.822 1.00 0.00 WT1 H ATOM 3346 H2 TIP3W1578 23.548 48.723 -19.169 1.00 0.00 WT1 H ATOM 3347 OH2 TIP3W1580 29.334 45.643 -1.468 1.00 0.00 WT1 O ATOM 3348 H1 TIP3W1580 29.821 46.343 -1.876 1.00 0.00 WT1 H ATOM 3349 H2 TIP3W1580 30.002 45.201 -0.959 1.00 0.00 WT1 H ATOM 3350 OH2 TIP3W1586 14.897 39.294 9.038 1.00 0.00 WT1 O ATOM 3351 H1 TIP3W1586 14.545 40.149 9.206 1.00 0.00 WT1 H ATOM 3352 H2 TIP3W1586 15.267 38.943 9.845 1.00 0.00 WT1 H ATOM 3353 OH2 TIP3W1590 17.747 35.892 18.174 1.00 0.00 WT1 O ATOM 3354 H1 TIP3W1590 18.188 36.272 18.944 1.00 0.00 WT1 H ATOM 3355 H2 TIP3W1590 17.849 34.918 18.288 1.00 0.00 WT1 H ATOM 3356 OH2 TIP3W1592 5.474 21.467 8.324 1.00 0.00 WT1 O ATOM 3357 H1 TIP3W1592 6.302 20.961 8.195 1.00 0.00 WT1 H ATOM 3358 H2 TIP3W1592 4.816 21.156 7.664 1.00 0.00 WT1 H ATOM 3359 OH2 TIP3W1593 27.237 29.666 20.812 1.00 0.00 WT1 O ATOM 3360 H1 TIP3W1593 27.260 29.989 19.902 1.00 0.00 WT1 H ATOM 3361 H2 TIP3W1593 26.573 28.895 20.790 1.00 0.00 WT1 H ATOM 3362 OH2 TIP3W1598 17.198 38.958 5.606 1.00 0.00 WT1 O ATOM 3363 H1 TIP3W1598 16.417 38.417 5.264 1.00 0.00 WT1 H ATOM 3364 H2 TIP3W1598 17.031 39.902 5.329 1.00 0.00 WT1 H ATOM 3365 OH2 TIP3W1599 8.366 43.035 -9.298 1.00 0.00 WT1 O ATOM 3366 H1 TIP3W1599 8.726 43.486 -8.568 1.00 0.00 WT1 H ATOM 3367 H2 TIP3W1599 9.206 42.923 -9.851 1.00 0.00 WT1 H ATOM 3368 OH2 TIP3W1600 7.399 39.664 0.786 1.00 0.00 WT1 O ATOM 3369 H1 TIP3W1600 7.566 40.523 0.326 1.00 0.00 WT1 H ATOM 3370 H2 TIP3W1600 6.411 39.585 0.811 1.00 0.00 WT1 H ATOM 3371 OH2 TIP3W1602 19.111 45.754 13.208 1.00 0.00 WT1 O ATOM 3372 H1 TIP3W1602 18.376 45.151 13.139 1.00 0.00 WT1 H ATOM 3373 H2 TIP3W1602 19.582 45.431 14.060 1.00 0.00 WT1 H ATOM 3374 OH2 TIP3W1603 18.106 31.358 6.755 1.00 0.00 WT1 O ATOM 3375 H1 TIP3W1603 17.398 31.590 6.100 1.00 0.00 WT1 H ATOM 3376 H2 TIP3W1603 18.521 30.559 6.390 1.00 0.00 WT1 H ATOM 3377 OH2 TIP3W1604 14.831 47.157 -6.407 1.00 0.00 WT1 O ATOM 3378 H1 TIP3W1604 14.419 48.002 -6.119 1.00 0.00 WT1 H ATOM 3379 H2 TIP3W1604 15.267 47.465 -7.234 1.00 0.00 WT1 H ATOM 3380 OH2 TIP3W1605 12.753 49.136 -16.845 1.00 0.00 WT1 O ATOM 3381 H1 TIP3W1605 12.130 49.267 -16.142 1.00 0.00 WT1 H ATOM 3382 H2 TIP3W1605 13.389 48.469 -16.460 1.00 0.00 WT1 H ATOM 3383 OH2 TIP3W1608 25.038 38.973 11.577 1.00 0.00 WT1 O ATOM 3384 H1 TIP3W1608 25.955 38.658 11.492 1.00 0.00 WT1 H ATOM 3385 H2 TIP3W1608 24.570 38.370 10.960 1.00 0.00 WT1 H ATOM 3386 OH2 TIP3W1609 15.451 29.054 19.874 1.00 0.00 WT1 O ATOM 3387 H1 TIP3W1609 15.687 29.355 20.788 1.00 0.00 WT1 H ATOM 3388 H2 TIP3W1609 15.791 28.161 19.854 1.00 0.00 WT1 H ATOM 3389 OH2 TIP3W1610 27.890 40.805 17.349 1.00 0.00 WT1 O ATOM 3390 H1 TIP3W1610 28.891 40.892 17.099 1.00 0.00 WT1 H ATOM 3391 H2 TIP3W1610 27.872 39.975 17.898 1.00 0.00 WT1 H ATOM 3392 OH2 TIP3W1612 7.976 34.350 11.199 1.00 0.00 WT1 O ATOM 3393 H1 TIP3W1612 8.917 34.518 11.525 1.00 0.00 WT1 H ATOM 3394 H2 TIP3W1612 7.785 35.106 10.619 1.00 0.00 WT1 H ATOM 3395 OH2 TIP3W1616 15.563 41.043 -18.214 1.00 0.00 WT1 O ATOM 3396 H1 TIP3W1616 14.815 40.467 -18.488 1.00 0.00 WT1 H ATOM 3397 H2 TIP3W1616 15.500 41.824 -18.745 1.00 0.00 WT1 H ATOM 3398 OH2 TIP3W1617 30.472 45.018 -20.205 1.00 0.00 WT1 O ATOM 3399 H1 TIP3W1617 30.993 45.498 -20.901 1.00 0.00 WT1 H ATOM 3400 H2 TIP3W1617 31.165 44.807 -19.503 1.00 0.00 WT1 H ATOM 3401 OH2 TIP3W1624 7.602 37.834 -4.917 1.00 0.00 WT1 O ATOM 3402 H1 TIP3W1624 8.033 36.972 -4.851 1.00 0.00 WT1 H ATOM 3403 H2 TIP3W1624 8.235 38.401 -4.518 1.00 0.00 WT1 H ATOM 3404 OH2 TIP3W1625 7.194 42.091 -0.596 1.00 0.00 WT1 O ATOM 3405 H1 TIP3W1625 6.738 42.258 -1.442 1.00 0.00 WT1 H ATOM 3406 H2 TIP3W1625 6.679 42.634 0.024 1.00 0.00 WT1 H ATOM 3407 OH2 TIP3W1626 11.635 36.437 14.570 1.00 0.00 WT1 O ATOM 3408 H1 TIP3W1626 10.806 36.827 14.899 1.00 0.00 WT1 H ATOM 3409 H2 TIP3W1626 12.195 36.487 15.382 1.00 0.00 WT1 H ATOM 3410 OH2 TIP3W1628 13.681 49.231 -5.059 1.00 0.00 WT1 O ATOM 3411 H1 TIP3W1628 14.413 48.876 -4.487 1.00 0.00 WT1 H ATOM 3412 H2 TIP3W1628 12.962 49.422 -4.435 1.00 0.00 WT1 H ATOM 3413 OH2 TIP3W1629 4.859 35.944 12.479 1.00 0.00 WT1 O ATOM 3414 H1 TIP3W1629 4.691 36.342 11.626 1.00 0.00 WT1 H ATOM 3415 H2 TIP3W1629 4.945 35.036 12.323 1.00 0.00 WT1 H ATOM 3416 OH2 TIP3W1638 32.441 32.263 -16.382 1.00 0.00 WT1 O ATOM 3417 H1 TIP3W1638 32.349 31.391 -16.039 1.00 0.00 WT1 H ATOM 3418 H2 TIP3W1638 31.791 32.236 -17.126 1.00 0.00 WT1 H ATOM 3419 OH2 TIP3W1639 20.578 49.179 -7.821 1.00 0.00 WT1 O ATOM 3420 H1 TIP3W1639 21.419 48.881 -8.204 1.00 0.00 WT1 H ATOM 3421 H2 TIP3W1639 20.383 50.017 -8.267 1.00 0.00 WT1 H ATOM 3422 OH2 TIP3W1641 32.407 47.939 -4.597 1.00 0.00 WT1 O ATOM 3423 H1 TIP3W1641 33.370 48.062 -4.602 1.00 0.00 WT1 H ATOM 3424 H2 TIP3W1641 32.159 48.370 -5.438 1.00 0.00 WT1 H ATOM 3425 OH2 TIP3W1642 6.312 31.259 5.063 1.00 0.00 WT1 O ATOM 3426 H1 TIP3W1642 6.960 31.826 5.643 1.00 0.00 WT1 H ATOM 3427 H2 TIP3W1642 6.094 31.862 4.354 1.00 0.00 WT1 H ATOM 3428 OH2 TIP3W1643 9.884 31.702 -5.080 1.00 0.00 WT1 O ATOM 3429 H1 TIP3W1643 9.434 30.899 -4.781 1.00 0.00 WT1 H ATOM 3430 H2 TIP3W1643 9.389 32.356 -4.588 1.00 0.00 WT1 H ATOM 3431 OH2 TIP3W1646 12.952 45.889 8.602 1.00 0.00 WT1 O ATOM 3432 H1 TIP3W1646 12.831 46.555 7.931 1.00 0.00 WT1 H ATOM 3433 H2 TIP3W1646 11.996 45.688 8.794 1.00 0.00 WT1 H ATOM 3434 OH2 TIP3W1647 10.289 45.521 -1.889 1.00 0.00 WT1 O ATOM 3435 H1 TIP3W1647 10.872 45.260 -2.592 1.00 0.00 WT1 H ATOM 3436 H2 TIP3W1647 10.645 45.142 -1.159 1.00 0.00 WT1 H ATOM 3437 OH2 TIP3W1651 7.789 45.788 7.889 1.00 0.00 WT1 O ATOM 3438 H1 TIP3W1651 7.460 45.004 7.551 1.00 0.00 WT1 H ATOM 3439 H2 TIP3W1651 8.302 46.213 7.163 1.00 0.00 WT1 H ATOM 3440 OH2 TIP3W1656 5.976 48.365 -18.509 1.00 0.00 WT1 O ATOM 3441 H1 TIP3W1656 6.846 48.592 -18.205 1.00 0.00 WT1 H ATOM 3442 H2 TIP3W1656 6.076 47.630 -19.149 1.00 0.00 WT1 H ATOM 3443 OH2 TIP3W1658 21.837 39.446 -20.199 1.00 0.00 WT1 O ATOM 3444 H1 TIP3W1658 21.038 39.988 -20.454 1.00 0.00 WT1 H ATOM 3445 H2 TIP3W1658 22.505 39.592 -20.876 1.00 0.00 WT1 H ATOM 3446 OH2 TIP3W1670 15.227 5.209 6.573 1.00 0.00 WT1 O ATOM 3447 H1 TIP3W1670 15.951 5.045 5.914 1.00 0.00 WT1 H ATOM 3448 H2 TIP3W1670 15.449 4.586 7.262 1.00 0.00 WT1 H ATOM 3449 OH2 TIP3W1671 15.541 45.549 15.271 1.00 0.00 WT1 O ATOM 3450 H1 TIP3W1671 16.299 45.897 15.774 1.00 0.00 WT1 H ATOM 3451 H2 TIP3W1671 14.894 45.340 15.979 1.00 0.00 WT1 H ATOM 3452 OH2 TIP3W1681 28.405 46.698 -14.852 1.00 0.00 WT1 O ATOM 3453 H1 TIP3W1681 27.761 47.384 -14.847 1.00 0.00 WT1 H ATOM 3454 H2 TIP3W1681 27.931 46.022 -15.297 1.00 0.00 WT1 H ATOM 3455 OH2 TIP3W1683 15.882 48.360 -3.579 1.00 0.00 WT1 O ATOM 3456 H1 TIP3W1683 16.019 48.899 -2.765 1.00 0.00 WT1 H ATOM 3457 H2 TIP3W1683 16.233 47.447 -3.406 1.00 0.00 WT1 H ATOM 3458 OH2 TIP3W1691 8.940 47.857 -0.799 1.00 0.00 WT1 O ATOM 3459 H1 TIP3W1691 9.432 47.060 -0.519 1.00 0.00 WT1 H ATOM 3460 H2 TIP3W1691 9.398 48.064 -1.620 1.00 0.00 WT1 H ATOM 3461 OH2 TIP3W1692 17.003 -0.100 13.668 1.00 0.00 WT1 O ATOM 3462 H1 TIP3W1692 17.664 0.447 13.221 1.00 0.00 WT1 H ATOM 3463 H2 TIP3W1692 17.445 -0.355 14.523 1.00 0.00 WT1 H ATOM 3464 OH2 TIP3W1693 13.269 47.928 10.803 1.00 0.00 WT1 O ATOM 3465 H1 TIP3W1693 13.517 47.294 10.164 1.00 0.00 WT1 H ATOM 3466 H2 TIP3W1693 13.884 47.615 11.503 1.00 0.00 WT1 H ATOM 3467 OH2 TIP3W1695 28.933 45.366 17.454 1.00 0.00 WT1 O ATOM 3468 H1 TIP3W1695 29.159 45.480 16.526 1.00 0.00 WT1 H ATOM 3469 H2 TIP3W1695 29.525 45.923 17.866 1.00 0.00 WT1 H ATOM 3470 OH2 TIP3W1701 16.784 49.754 -12.752 1.00 0.00 WT1 O ATOM 3471 H1 TIP3W1701 17.624 50.222 -12.775 1.00 0.00 WT1 H ATOM 3472 H2 TIP3W1701 17.055 48.854 -12.954 1.00 0.00 WT1 H ATOM 3473 OH2 TIP3W1706 6.467 50.136 -5.520 1.00 0.00 WT1 O ATOM 3474 H1 TIP3W1706 6.569 49.178 -5.953 1.00 0.00 WT1 H ATOM 3475 H2 TIP3W1706 6.882 50.725 -6.112 1.00 0.00 WT1 H ATOM 3476 OH2 TIP3W1707 16.423 -0.509 -16.852 1.00 0.00 WT1 O ATOM 3477 H1 TIP3W1707 17.129 -0.795 -16.232 1.00 0.00 WT1 H ATOM 3478 H2 TIP3W1707 16.124 0.466 -16.571 1.00 0.00 WT1 H ATOM 3479 OH2 TIP3W1708 37.950 49.627 -8.688 1.00 0.00 WT1 O ATOM 3480 H1 TIP3W1708 37.664 49.428 -9.614 1.00 0.00 WT1 H ATOM 3481 H2 TIP3W1708 38.750 50.192 -8.766 1.00 0.00 WT1 H ATOM 3482 OH2 TIP3W1718 9.825 3.099 10.676 1.00 0.00 WT1 O ATOM 3483 H1 TIP3W1718 8.913 3.434 10.765 1.00 0.00 WT1 H ATOM 3484 H2 TIP3W1718 9.792 2.825 9.803 1.00 0.00 WT1 H ATOM 3485 OH2 TIP3W1722 21.115 7.276 19.907 1.00 0.00 WT1 O ATOM 3486 H1 TIP3W1722 20.706 8.124 19.890 1.00 0.00 WT1 H ATOM 3487 H2 TIP3W1722 21.282 7.060 18.958 1.00 0.00 WT1 H ATOM 3488 OH2 TIP3W1723 13.507 2.945 -5.830 1.00 0.00 WT1 O ATOM 3489 H1 TIP3W1723 13.473 2.160 -6.407 1.00 0.00 WT1 H ATOM 3490 H2 TIP3W1723 12.826 2.737 -5.190 1.00 0.00 WT1 H ATOM 3491 OH2 TIP3W1725 6.731 2.345 -16.736 1.00 0.00 WT1 O ATOM 3492 H1 TIP3W1725 6.994 1.504 -17.142 1.00 0.00 WT1 H ATOM 3493 H2 TIP3W1725 7.529 2.910 -16.746 1.00 0.00 WT1 H ATOM 3494 OH2 TIP3W1727 22.684 5.141 2.510 1.00 0.00 WT1 O ATOM 3495 H1 TIP3W1727 21.940 5.395 1.916 1.00 0.00 WT1 H ATOM 3496 H2 TIP3W1727 22.283 4.401 3.066 1.00 0.00 WT1 H ATOM 3497 OH2 TIP3W1729 11.104 5.445 1.203 1.00 0.00 WT1 O ATOM 3498 H1 TIP3W1729 11.476 6.385 1.299 1.00 0.00 WT1 H ATOM 3499 H2 TIP3W1729 10.144 5.599 1.242 1.00 0.00 WT1 H ATOM 3500 OH2 TIP3W1730 15.828 0.711 -6.959 1.00 0.00 WT1 O ATOM 3501 H1 TIP3W1730 15.666 1.339 -7.693 1.00 0.00 WT1 H ATOM 3502 H2 TIP3W1730 16.655 0.297 -7.211 1.00 0.00 WT1 H ATOM 3503 OH2 TIP3W1733 7.484 0.154 -4.818 1.00 0.00 WT1 O ATOM 3504 H1 TIP3W1733 6.680 0.647 -4.984 1.00 0.00 WT1 H ATOM 3505 H2 TIP3W1733 7.580 -0.469 -5.542 1.00 0.00 WT1 H ATOM 3506 OH2 TIP3W1737 6.947 48.409 15.815 1.00 0.00 WT1 O ATOM 3507 H1 TIP3W1737 7.634 48.097 16.404 1.00 0.00 WT1 H ATOM 3508 H2 TIP3W1737 6.677 49.282 16.218 1.00 0.00 WT1 H ATOM 3509 OH2 TIP3W1744 24.129 -0.245 -15.373 1.00 0.00 WT1 O ATOM 3510 H1 TIP3W1744 24.664 0.213 -16.042 1.00 0.00 WT1 H ATOM 3511 H2 TIP3W1744 24.077 -1.198 -15.695 1.00 0.00 WT1 H ATOM 3512 OH2 TIP3W1746 15.158 8.641 -3.163 1.00 0.00 WT1 O ATOM 3513 H1 TIP3W1746 14.655 9.047 -3.887 1.00 0.00 WT1 H ATOM 3514 H2 TIP3W1746 15.973 9.121 -3.156 1.00 0.00 WT1 H ATOM 3515 OH2 TIP3W1750 11.371 23.542 -19.251 1.00 0.00 WT1 O ATOM 3516 H1 TIP3W1750 12.295 23.830 -19.357 1.00 0.00 WT1 H ATOM 3517 H2 TIP3W1750 11.461 22.573 -19.349 1.00 0.00 WT1 H ATOM 3518 OH2 TIP3W1751 8.411 49.361 -20.794 1.00 0.00 WT1 O ATOM 3519 H1 TIP3W1751 8.620 48.982 -19.952 1.00 0.00 WT1 H ATOM 3520 H2 TIP3W1751 8.255 48.602 -21.398 1.00 0.00 WT1 H ATOM 3521 OH2 TIP3W1752 16.379 7.336 1.288 1.00 0.00 WT1 O ATOM 3522 H1 TIP3W1752 16.333 7.860 2.094 1.00 0.00 WT1 H ATOM 3523 H2 TIP3W1752 15.900 6.526 1.606 1.00 0.00 WT1 H ATOM 3524 OH2 TIP3W1755 25.394 1.838 12.561 1.00 0.00 WT1 O ATOM 3525 H1 TIP3W1755 24.742 1.336 12.050 1.00 0.00 WT1 H ATOM 3526 H2 TIP3W1755 25.175 1.661 13.431 1.00 0.00 WT1 H ATOM 3527 OH2 TIP3W1757 13.024 9.424 4.546 1.00 0.00 WT1 O ATOM 3528 H1 TIP3W1757 14.001 9.130 4.570 1.00 0.00 WT1 H ATOM 3529 H2 TIP3W1757 12.709 9.381 5.493 1.00 0.00 WT1 H ATOM 3530 OH2 TIP3W1764 9.451 0.181 -21.295 1.00 0.00 WT1 O ATOM 3531 H1 TIP3W1764 9.007 -0.320 -20.560 1.00 0.00 WT1 H ATOM 3532 H2 TIP3W1764 10.341 -0.128 -21.208 1.00 0.00 WT1 H ATOM 3533 OH2 TIP3W1766 22.241 12.942 -10.200 1.00 0.00 WT1 O ATOM 3534 H1 TIP3W1766 21.320 12.994 -10.507 1.00 0.00 WT1 H ATOM 3535 H2 TIP3W1766 22.236 13.526 -9.395 1.00 0.00 WT1 H ATOM 3536 OH2 TIP3W1771 6.819 2.075 -8.884 1.00 0.00 WT1 O ATOM 3537 H1 TIP3W1771 6.424 2.708 -9.479 1.00 0.00 WT1 H ATOM 3538 H2 TIP3W1771 7.025 1.282 -9.411 1.00 0.00 WT1 H ATOM 3539 OH2 TIP3W1772 18.210 -0.164 9.831 1.00 0.00 WT1 O ATOM 3540 H1 TIP3W1772 18.942 -0.761 10.048 1.00 0.00 WT1 H ATOM 3541 H2 TIP3W1772 18.577 0.312 9.037 1.00 0.00 WT1 H ATOM 3542 OH2 TIP3W1773 18.664 -0.078 -7.790 1.00 0.00 WT1 O ATOM 3543 H1 TIP3W1773 19.004 -0.807 -7.229 1.00 0.00 WT1 H ATOM 3544 H2 TIP3W1773 18.883 0.765 -7.368 1.00 0.00 WT1 H ATOM 3545 OH2 TIP3W1775 6.223 -0.024 5.874 1.00 0.00 WT1 O ATOM 3546 H1 TIP3W1775 6.031 -0.003 6.843 1.00 0.00 WT1 H ATOM 3547 H2 TIP3W1775 6.649 0.869 5.780 1.00 0.00 WT1 H ATOM 3548 OH2 TIP3W1776 11.318 3.094 14.967 1.00 0.00 WT1 O ATOM 3549 H1 TIP3W1776 10.580 3.630 15.294 1.00 0.00 WT1 H ATOM 3550 H2 TIP3W1776 12.055 3.581 15.341 1.00 0.00 WT1 H ATOM 3551 OH2 TIP3W1778 6.748 4.574 14.306 1.00 0.00 WT1 O ATOM 3552 H1 TIP3W1778 6.279 4.095 14.959 1.00 0.00 WT1 H ATOM 3553 H2 TIP3W1778 6.042 4.588 13.597 1.00 0.00 WT1 H ATOM 3554 OH2 TIP3W1789 9.771 5.324 -19.851 1.00 0.00 WT1 O ATOM 3555 H1 TIP3W1789 10.722 5.197 -19.776 1.00 0.00 WT1 H ATOM 3556 H2 TIP3W1789 9.519 4.526 -20.360 1.00 0.00 WT1 H ATOM 3557 OH2 TIP3W1794 19.609 -0.059 2.937 1.00 0.00 WT1 O ATOM 3558 H1 TIP3W1794 19.166 0.285 2.155 1.00 0.00 WT1 H ATOM 3559 H2 TIP3W1794 20.538 0.097 2.733 1.00 0.00 WT1 H ATOM 3560 OH2 TIP3W1795 18.411 0.472 0.522 1.00 0.00 WT1 O ATOM 3561 H1 TIP3W1795 19.196 0.968 0.208 1.00 0.00 WT1 H ATOM 3562 H2 TIP3W1795 18.418 -0.389 0.019 1.00 0.00 WT1 H ATOM 3563 OH2 TIP3W1796 25.318 3.631 -3.337 1.00 0.00 WT1 O ATOM 3564 H1 TIP3W1796 24.694 3.591 -2.587 1.00 0.00 WT1 H ATOM 3565 H2 TIP3W1796 25.818 2.780 -3.167 1.00 0.00 WT1 H ATOM 3566 OH2 TIP3W1810 34.977 20.047 -20.362 1.00 0.00 WT1 O ATOM 3567 H1 TIP3W1810 34.910 20.653 -19.575 1.00 0.00 WT1 H ATOM 3568 H2 TIP3W1810 34.038 19.813 -20.520 1.00 0.00 WT1 H ATOM 3569 OH2 TIP3W1811 34.977 3.572 -13.905 1.00 0.00 WT1 O ATOM 3570 H1 TIP3W1811 34.317 4.222 -14.236 1.00 0.00 WT1 H ATOM 3571 H2 TIP3W1811 35.714 3.700 -14.548 1.00 0.00 WT1 H ATOM 3572 OH2 TIP3W1812 9.753 8.026 7.007 1.00 0.00 WT1 O ATOM 3573 H1 TIP3W1812 8.939 8.513 6.847 1.00 0.00 WT1 H ATOM 3574 H2 TIP3W1812 9.437 7.283 7.502 1.00 0.00 WT1 H ATOM 3575 OH2 TIP3W1813 10.452 10.428 -5.742 1.00 0.00 WT1 O ATOM 3576 H1 TIP3W1813 10.072 11.212 -6.119 1.00 0.00 WT1 H ATOM 3577 H2 TIP3W1813 9.876 9.716 -6.133 1.00 0.00 WT1 H ATOM 3578 OH2 TIP3W1815 12.241 18.305 6.211 1.00 0.00 WT1 O ATOM 3579 H1 TIP3W1815 11.540 18.527 5.597 1.00 0.00 WT1 H ATOM 3580 H2 TIP3W1815 12.153 18.966 6.959 1.00 0.00 WT1 H ATOM 3581 OH2 TIP3W1817 23.461 10.337 14.817 1.00 0.00 WT1 O ATOM 3582 H1 TIP3W1817 22.679 10.157 15.405 1.00 0.00 WT1 H ATOM 3583 H2 TIP3W1817 23.026 10.344 13.937 1.00 0.00 WT1 H ATOM 3584 OH2 TIP3W1818 11.570 3.178 19.210 1.00 0.00 WT1 O ATOM 3585 H1 TIP3W1818 11.776 3.639 18.387 1.00 0.00 WT1 H ATOM 3586 H2 TIP3W1818 12.319 3.491 19.744 1.00 0.00 WT1 H ATOM 3587 OH2 TIP3W1820 13.111 1.904 7.815 1.00 0.00 WT1 O ATOM 3588 H1 TIP3W1820 13.092 0.955 7.994 1.00 0.00 WT1 H ATOM 3589 H2 TIP3W1820 13.823 1.987 7.199 1.00 0.00 WT1 H ATOM 3590 OH2 TIP3W1821 20.250 9.606 14.230 1.00 0.00 WT1 O ATOM 3591 H1 TIP3W1821 20.723 9.233 13.453 1.00 0.00 WT1 H ATOM 3592 H2 TIP3W1821 20.659 9.073 14.878 1.00 0.00 WT1 H ATOM 3593 OH2 TIP3W1824 26.833 0.728 -20.296 1.00 0.00 WT1 O ATOM 3594 H1 TIP3W1824 26.742 0.642 -21.248 1.00 0.00 WT1 H ATOM 3595 H2 TIP3W1824 26.428 -0.109 -19.933 1.00 0.00 WT1 H ATOM 3596 OH2 TIP3W1829 16.090 12.079 -20.811 1.00 0.00 WT1 O ATOM 3597 H1 TIP3W1829 16.621 11.992 -20.000 1.00 0.00 WT1 H ATOM 3598 H2 TIP3W1829 16.689 12.386 -21.494 1.00 0.00 WT1 H ATOM 3599 OH2 TIP3W1830 17.720 12.366 -18.588 1.00 0.00 WT1 O ATOM 3600 H1 TIP3W1830 17.170 11.912 -17.842 1.00 0.00 WT1 H ATOM 3601 H2 TIP3W1830 18.688 12.194 -18.308 1.00 0.00 WT1 H ATOM 3602 OH2 TIP3W1831 11.624 -1.202 -12.642 1.00 0.00 WT1 O ATOM 3603 H1 TIP3W1831 11.757 -1.234 -13.637 1.00 0.00 WT1 H ATOM 3604 H2 TIP3W1831 12.529 -1.094 -12.368 1.00 0.00 WT1 H ATOM 3605 OH2 TIP3W1832 22.741 8.428 -0.654 1.00 0.00 WT1 O ATOM 3606 H1 TIP3W1832 22.530 8.490 -1.634 1.00 0.00 WT1 H ATOM 3607 H2 TIP3W1832 23.313 7.608 -0.608 1.00 0.00 WT1 H ATOM 3608 OH2 TIP3W1833 14.249 8.763 15.256 1.00 0.00 WT1 O ATOM 3609 H1 TIP3W1833 14.415 9.324 16.086 1.00 0.00 WT1 H ATOM 3610 H2 TIP3W1833 14.478 9.404 14.570 1.00 0.00 WT1 H ATOM 3611 OH2 TIP3W1835 15.916 26.279 -4.187 1.00 0.00 WT1 O ATOM 3612 H1 TIP3W1835 16.006 25.354 -4.239 1.00 0.00 WT1 H ATOM 3613 H2 TIP3W1835 16.156 26.420 -3.276 1.00 0.00 WT1 H ATOM 3614 OH2 TIP3W1836 20.241 8.710 0.685 1.00 0.00 WT1 O ATOM 3615 H1 TIP3W1836 21.114 8.521 0.393 1.00 0.00 WT1 H ATOM 3616 H2 TIP3W1836 19.763 8.997 -0.149 1.00 0.00 WT1 H ATOM 3617 OH2 TIP3W1837 13.573 26.844 -9.371 1.00 0.00 WT1 O ATOM 3618 H1 TIP3W1837 13.256 27.456 -8.746 1.00 0.00 WT1 H ATOM 3619 H2 TIP3W1837 13.107 27.102 -10.209 1.00 0.00 WT1 H ATOM 3620 OH2 TIP3W1839 18.713 5.408 11.834 1.00 0.00 WT1 O ATOM 3621 H1 TIP3W1839 17.924 5.088 11.479 1.00 0.00 WT1 H ATOM 3622 H2 TIP3W1839 19.197 4.576 11.984 1.00 0.00 WT1 H ATOM 3623 OH2 TIP3W1841 17.784 12.756 16.987 1.00 0.00 WT1 O ATOM 3624 H1 TIP3W1841 17.076 13.363 17.337 1.00 0.00 WT1 H ATOM 3625 H2 TIP3W1841 18.298 13.421 16.545 1.00 0.00 WT1 H ATOM 3626 OH2 TIP3W1844 19.754 9.244 18.591 1.00 0.00 WT1 O ATOM 3627 H1 TIP3W1844 19.273 10.037 18.790 1.00 0.00 WT1 H ATOM 3628 H2 TIP3W1844 19.147 8.734 18.107 1.00 0.00 WT1 H ATOM 3629 OH2 TIP3W1850 15.011 23.392 -14.255 1.00 0.00 WT1 O ATOM 3630 H1 TIP3W1850 15.935 23.078 -14.178 1.00 0.00 WT1 H ATOM 3631 H2 TIP3W1850 14.687 23.288 -13.318 1.00 0.00 WT1 H ATOM 3632 OH2 TIP3W1851 25.156 18.932 -17.053 1.00 0.00 WT1 O ATOM 3633 H1 TIP3W1851 25.120 19.416 -16.150 1.00 0.00 WT1 H ATOM 3634 H2 TIP3W1851 25.150 17.959 -16.859 1.00 0.00 WT1 H ATOM 3635 OH2 TIP3W1852 14.338 22.598 -11.787 1.00 0.00 WT1 O ATOM 3636 H1 TIP3W1852 14.385 21.702 -11.370 1.00 0.00 WT1 H ATOM 3637 H2 TIP3W1852 14.350 23.197 -11.009 1.00 0.00 WT1 H ATOM 3638 OH2 TIP3W1853 4.599 9.108 -8.326 1.00 0.00 WT1 O ATOM 3639 H1 TIP3W1853 4.596 9.507 -9.192 1.00 0.00 WT1 H ATOM 3640 H2 TIP3W1853 5.572 8.927 -8.125 1.00 0.00 WT1 H ATOM 3641 OH2 TIP3W1854 20.524 6.417 -17.028 1.00 0.00 WT1 O ATOM 3642 H1 TIP3W1854 19.564 6.562 -16.633 1.00 0.00 WT1 H ATOM 3643 H2 TIP3W1854 20.215 5.962 -17.798 1.00 0.00 WT1 H ATOM 3644 OH2 TIP3W1856 16.750 10.977 -16.424 1.00 0.00 WT1 O ATOM 3645 H1 TIP3W1856 15.962 10.457 -16.689 1.00 0.00 WT1 H ATOM 3646 H2 TIP3W1856 17.203 10.437 -15.817 1.00 0.00 WT1 H ATOM 3647 OH2 TIP3W1857 27.750 16.946 21.243 1.00 0.00 WT1 O ATOM 3648 H1 TIP3W1857 27.071 16.526 20.634 1.00 0.00 WT1 H ATOM 3649 H2 TIP3W1857 27.661 16.526 22.110 1.00 0.00 WT1 H ATOM 3650 OH2 TIP3W1858 7.646 6.332 12.350 1.00 0.00 WT1 O ATOM 3651 H1 TIP3W1858 6.866 6.206 11.792 1.00 0.00 WT1 H ATOM 3652 H2 TIP3W1858 7.515 5.688 13.039 1.00 0.00 WT1 H ATOM 3653 OH2 TIP3W1859 8.661 6.350 8.943 1.00 0.00 WT1 O ATOM 3654 H1 TIP3W1859 7.729 6.301 9.247 1.00 0.00 WT1 H ATOM 3655 H2 TIP3W1859 9.060 5.664 9.477 1.00 0.00 WT1 H ATOM 3656 OH2 TIP3W1862 39.427 2.952 11.898 1.00 0.00 WT1 O ATOM 3657 H1 TIP3W1862 39.241 2.061 11.688 1.00 0.00 WT1 H ATOM 3658 H2 TIP3W1862 40.193 2.869 12.460 1.00 0.00 WT1 H ATOM 3659 OH2 TIP3W1864 8.791 14.995 20.805 1.00 0.00 WT1 O ATOM 3660 H1 TIP3W1864 8.770 14.093 21.294 1.00 0.00 WT1 H ATOM 3661 H2 TIP3W1864 9.628 15.401 21.104 1.00 0.00 WT1 H ATOM 3662 OH2 TIP3W1870 23.122 27.910 -19.045 1.00 0.00 WT1 O ATOM 3663 H1 TIP3W1870 23.193 27.964 -18.117 1.00 0.00 WT1 H ATOM 3664 H2 TIP3W1870 22.241 27.429 -19.247 1.00 0.00 WT1 H ATOM 3665 OH2 TIP3W1871 11.278 10.199 -19.441 1.00 0.00 WT1 O ATOM 3666 H1 TIP3W1871 10.885 9.466 -19.987 1.00 0.00 WT1 H ATOM 3667 H2 TIP3W1871 11.393 10.860 -20.204 1.00 0.00 WT1 H ATOM 3668 OH2 TIP3W1872 35.107 13.888 -15.011 1.00 0.00 WT1 O ATOM 3669 H1 TIP3W1872 35.466 14.618 -14.555 1.00 0.00 WT1 H ATOM 3670 H2 TIP3W1872 34.444 14.217 -15.584 1.00 0.00 WT1 H ATOM 3671 OH2 TIP3W1873 17.843 9.120 -14.634 1.00 0.00 WT1 O ATOM 3672 H1 TIP3W1873 16.918 8.879 -14.304 1.00 0.00 WT1 H ATOM 3673 H2 TIP3W1873 18.318 9.510 -13.869 1.00 0.00 WT1 H ATOM 3674 OH2 TIP3W1875 17.178 23.449 -17.468 1.00 0.00 WT1 O ATOM 3675 H1 TIP3W1875 17.488 23.960 -16.677 1.00 0.00 WT1 H ATOM 3676 H2 TIP3W1875 17.499 22.579 -17.291 1.00 0.00 WT1 H ATOM 3677 OH2 TIP3W1878 27.616 6.381 0.282 1.00 0.00 WT1 O ATOM 3678 H1 TIP3W1878 26.945 6.456 0.995 1.00 0.00 WT1 H ATOM 3679 H2 TIP3W1878 28.270 5.736 0.616 1.00 0.00 WT1 H ATOM 3680 OH2 TIP3W1879 8.322 18.492 18.758 1.00 0.00 WT1 O ATOM 3681 H1 TIP3W1879 8.538 17.566 18.439 1.00 0.00 WT1 H ATOM 3682 H2 TIP3W1879 9.125 18.737 19.210 1.00 0.00 WT1 H ATOM 3683 OH2 TIP3W1880 4.646 12.049 11.510 1.00 0.00 WT1 O ATOM 3684 H1 TIP3W1880 4.374 12.293 10.612 1.00 0.00 WT1 H ATOM 3685 H2 TIP3W1880 5.622 12.087 11.490 1.00 0.00 WT1 H ATOM 3686 OH2 TIP3W1881 22.018 19.340 -8.925 1.00 0.00 WT1 O ATOM 3687 H1 TIP3W1881 21.014 19.351 -9.014 1.00 0.00 WT1 H ATOM 3688 H2 TIP3W1881 22.204 18.518 -8.471 1.00 0.00 WT1 H ATOM 3689 OH2 TIP3W1883 12.173 22.184 13.378 1.00 0.00 WT1 O ATOM 3690 H1 TIP3W1883 11.646 21.781 14.098 1.00 0.00 WT1 H ATOM 3691 H2 TIP3W1883 12.690 22.940 13.782 1.00 0.00 WT1 H ATOM 3692 OH2 TIP3W1885 29.274 12.446 -18.925 1.00 0.00 WT1 O ATOM 3693 H1 TIP3W1885 28.521 11.769 -18.921 1.00 0.00 WT1 H ATOM 3694 H2 TIP3W1885 29.467 12.626 -19.884 1.00 0.00 WT1 H ATOM 3695 OH2 TIP3W1891 15.372 27.844 -17.608 1.00 0.00 WT1 O ATOM 3696 H1 TIP3W1891 14.543 27.674 -17.122 1.00 0.00 WT1 H ATOM 3697 H2 TIP3W1891 16.046 27.581 -16.955 1.00 0.00 WT1 H ATOM 3698 OH2 TIP3W1897 7.309 22.407 -1.747 1.00 0.00 WT1 O ATOM 3699 H1 TIP3W1897 6.895 23.137 -2.175 1.00 0.00 WT1 H ATOM 3700 H2 TIP3W1897 8.277 22.531 -1.931 1.00 0.00 WT1 H ATOM 3701 OH2 TIP3W1898 8.034 24.154 1.749 1.00 0.00 WT1 O ATOM 3702 H1 TIP3W1898 8.245 25.034 1.428 1.00 0.00 WT1 H ATOM 3703 H2 TIP3W1898 8.620 24.078 2.520 1.00 0.00 WT1 H ATOM 3704 OH2 TIP3W1899 20.571 16.349 13.870 1.00 0.00 WT1 O ATOM 3705 H1 TIP3W1899 21.374 16.561 13.413 1.00 0.00 WT1 H ATOM 3706 H2 TIP3W1899 19.917 16.834 13.363 1.00 0.00 WT1 H ATOM 3707 OH2 TIP3W1901 15.851 14.898 12.541 1.00 0.00 WT1 O ATOM 3708 H1 TIP3W1901 15.617 15.412 13.349 1.00 0.00 WT1 H ATOM 3709 H2 TIP3W1901 16.822 14.780 12.643 1.00 0.00 WT1 H ATOM 3710 OH2 TIP3W1906 13.485 7.717 18.607 1.00 0.00 WT1 O ATOM 3711 H1 TIP3W1906 13.015 7.953 17.848 1.00 0.00 WT1 H ATOM 3712 H2 TIP3W1906 12.733 7.409 19.199 1.00 0.00 WT1 H ATOM 3713 OH2 TIP3W1907 25.042 14.137 16.151 1.00 0.00 WT1 O ATOM 3714 H1 TIP3W1907 24.651 14.209 15.254 1.00 0.00 WT1 H ATOM 3715 H2 TIP3W1907 25.327 13.234 16.125 1.00 0.00 WT1 H ATOM 3716 OH2 TIP3W1911 15.952 17.600 -16.928 1.00 0.00 WT1 O ATOM 3717 H1 TIP3W1911 15.062 17.356 -16.585 1.00 0.00 WT1 H ATOM 3718 H2 TIP3W1911 15.844 17.717 -17.897 1.00 0.00 WT1 H ATOM 3719 OH2 TIP3W1912 17.860 20.092 -12.229 1.00 0.00 WT1 O ATOM 3720 H1 TIP3W1912 17.589 20.314 -13.139 1.00 0.00 WT1 H ATOM 3721 H2 TIP3W1912 18.169 20.989 -11.880 1.00 0.00 WT1 H ATOM 3722 OH2 TIP3W1913 25.407 31.430 -17.094 1.00 0.00 WT1 O ATOM 3723 H1 TIP3W1913 25.163 32.348 -17.189 1.00 0.00 WT1 H ATOM 3724 H2 TIP3W1913 24.586 30.925 -17.185 1.00 0.00 WT1 H ATOM 3725 OH2 TIP3W1914 16.311 19.447 -7.686 1.00 0.00 WT1 O ATOM 3726 H1 TIP3W1914 16.370 20.136 -7.020 1.00 0.00 WT1 H ATOM 3727 H2 TIP3W1914 15.496 19.674 -8.165 1.00 0.00 WT1 H ATOM 3728 OH2 TIP3W1915 17.124 16.476 -14.411 1.00 0.00 WT1 O ATOM 3729 H1 TIP3W1915 17.689 15.980 -15.106 1.00 0.00 WT1 H ATOM 3730 H2 TIP3W1915 16.273 16.564 -14.840 1.00 0.00 WT1 H ATOM 3731 OH2 TIP3W1916 13.473 33.047 3.054 1.00 0.00 WT1 O ATOM 3732 H1 TIP3W1916 14.104 32.289 2.860 1.00 0.00 WT1 H ATOM 3733 H2 TIP3W1916 12.811 32.921 2.313 1.00 0.00 WT1 H ATOM 3734 OH2 TIP3W1918 5.674 32.671 -12.418 1.00 0.00 WT1 O ATOM 3735 H1 TIP3W1918 4.732 32.807 -12.489 1.00 0.00 WT1 H ATOM 3736 H2 TIP3W1918 6.063 33.267 -13.101 1.00 0.00 WT1 H ATOM 3737 OH2 TIP3W1920 14.806 16.838 14.480 1.00 0.00 WT1 O ATOM 3738 H1 TIP3W1920 14.776 17.303 15.344 1.00 0.00 WT1 H ATOM 3739 H2 TIP3W1920 14.027 16.271 14.485 1.00 0.00 WT1 H ATOM 3740 OH2 TIP3W1921 9.584 24.822 18.726 1.00 0.00 WT1 O ATOM 3741 H1 TIP3W1921 10.473 25.065 18.403 1.00 0.00 WT1 H ATOM 3742 H2 TIP3W1921 9.473 23.950 18.336 1.00 0.00 WT1 H ATOM 3743 OH2 TIP3W1923 12.420 29.313 1.198 1.00 0.00 WT1 O ATOM 3744 H1 TIP3W1923 11.478 29.473 1.175 1.00 0.00 WT1 H ATOM 3745 H2 TIP3W1923 12.516 28.821 2.022 1.00 0.00 WT1 H ATOM 3746 OH2 TIP3W1925 8.735 20.460 16.332 1.00 0.00 WT1 O ATOM 3747 H1 TIP3W1925 8.559 20.209 17.312 1.00 0.00 WT1 H ATOM 3748 H2 TIP3W1925 8.231 19.689 15.881 1.00 0.00 WT1 H ATOM 3749 OH2 TIP3W1926 16.827 25.648 21.781 1.00 0.00 WT1 O ATOM 3750 H1 TIP3W1926 16.724 24.836 21.339 1.00 0.00 WT1 H ATOM 3751 H2 TIP3W1926 16.415 26.244 21.137 1.00 0.00 WT1 H ATOM 3752 OH2 TIP3W1935 22.305 23.772 -11.371 1.00 0.00 WT1 O ATOM 3753 H1 TIP3W1935 23.163 24.118 -11.533 1.00 0.00 WT1 H ATOM 3754 H2 TIP3W1935 22.468 23.012 -10.720 1.00 0.00 WT1 H ATOM 3755 OH2 TIP3W1936 19.998 24.189 -6.768 1.00 0.00 WT1 O ATOM 3756 H1 TIP3W1936 19.018 24.345 -6.881 1.00 0.00 WT1 H ATOM 3757 H2 TIP3W1936 20.036 23.258 -7.097 1.00 0.00 WT1 H ATOM 3758 OH2 TIP3W1938 20.321 3.675 -0.732 1.00 0.00 WT1 O ATOM 3759 H1 TIP3W1938 20.399 2.737 -0.695 1.00 0.00 WT1 H ATOM 3760 H2 TIP3W1938 19.444 3.722 -1.100 1.00 0.00 WT1 H ATOM 3761 OH2 TIP3W1939 6.988 30.563 1.981 1.00 0.00 WT1 O ATOM 3762 H1 TIP3W1939 6.491 29.869 2.452 1.00 0.00 WT1 H ATOM 3763 H2 TIP3W1939 6.246 31.097 1.548 1.00 0.00 WT1 H ATOM 3764 OH2 TIP3W1942 21.602 34.740 15.097 1.00 0.00 WT1 O ATOM 3765 H1 TIP3W1942 21.586 34.890 16.074 1.00 0.00 WT1 H ATOM 3766 H2 TIP3W1942 20.739 35.196 14.861 1.00 0.00 WT1 H ATOM 3767 OH2 TIP3W1943 23.868 26.898 17.142 1.00 0.00 WT1 O ATOM 3768 H1 TIP3W1943 23.446 26.851 16.292 1.00 0.00 WT1 H ATOM 3769 H2 TIP3W1943 23.124 27.143 17.747 1.00 0.00 WT1 H ATOM 3770 OH2 TIP3W1944 24.207 22.829 20.121 1.00 0.00 WT1 O ATOM 3771 H1 TIP3W1944 23.406 22.244 20.160 1.00 0.00 WT1 H ATOM 3772 H2 TIP3W1944 24.723 22.457 20.827 1.00 0.00 WT1 H ATOM 3773 OH2 TIP3W1945 20.915 21.541 21.485 1.00 0.00 WT1 O ATOM 3774 H1 TIP3W1945 20.296 20.862 21.134 1.00 0.00 WT1 H ATOM 3775 H2 TIP3W1945 20.727 21.675 22.410 1.00 0.00 WT1 H ATOM 3776 OH2 TIP3W1946 13.053 37.189 10.927 1.00 0.00 WT1 O ATOM 3777 H1 TIP3W1946 13.252 37.493 11.783 1.00 0.00 WT1 H ATOM 3778 H2 TIP3W1946 13.308 36.231 10.923 1.00 0.00 WT1 H ATOM 3779 OH2 TIP3W1947 16.197 14.833 21.130 1.00 0.00 WT1 O ATOM 3780 H1 TIP3W1947 16.422 14.498 22.009 1.00 0.00 WT1 H ATOM 3781 H2 TIP3W1947 16.502 15.769 21.228 1.00 0.00 WT1 H ATOM 3782 OH2 TIP3W1948 15.500 10.936 17.393 1.00 0.00 WT1 O ATOM 3783 H1 TIP3W1948 15.511 10.384 18.162 1.00 0.00 WT1 H ATOM 3784 H2 TIP3W1948 16.430 11.261 17.338 1.00 0.00 WT1 H ATOM 3785 OH2 TIP3W1950 20.042 27.410 -16.840 1.00 0.00 WT1 O ATOM 3786 H1 TIP3W1950 19.102 27.593 -16.982 1.00 0.00 WT1 H ATOM 3787 H2 TIP3W1950 20.215 26.781 -17.551 1.00 0.00 WT1 H ATOM 3788 OH2 TIP3W1952 20.299 18.321 -16.932 1.00 0.00 WT1 O ATOM 3789 H1 TIP3W1952 20.262 19.202 -17.334 1.00 0.00 WT1 H ATOM 3790 H2 TIP3W1952 19.867 17.780 -17.606 1.00 0.00 WT1 H ATOM 3791 OH2 TIP3W1953 15.444 31.200 -17.800 1.00 0.00 WT1 O ATOM 3792 H1 TIP3W1953 14.768 30.865 -17.071 1.00 0.00 WT1 H ATOM 3793 H2 TIP3W1953 15.477 32.147 -17.673 1.00 0.00 WT1 H ATOM 3794 OH2 TIP3W1955 10.695 24.225 -14.311 1.00 0.00 WT1 O ATOM 3795 H1 TIP3W1955 10.895 24.409 -15.255 1.00 0.00 WT1 H ATOM 3796 H2 TIP3W1955 10.035 24.907 -14.064 1.00 0.00 WT1 H ATOM 3797 OH2 TIP3W1960 8.682 27.420 17.898 1.00 0.00 WT1 O ATOM 3798 H1 TIP3W1960 8.696 26.668 18.516 1.00 0.00 WT1 H ATOM 3799 H2 TIP3W1960 8.047 27.092 17.275 1.00 0.00 WT1 H ATOM 3800 OH2 TIP3W1965 6.428 10.993 13.990 1.00 0.00 WT1 O ATOM 3801 H1 TIP3W1965 5.667 10.401 14.019 1.00 0.00 WT1 H ATOM 3802 H2 TIP3W1965 6.750 10.841 13.043 1.00 0.00 WT1 H ATOM 3803 OH2 TIP3W1966 22.907 16.257 22.120 1.00 0.00 WT1 O ATOM 3804 H1 TIP3W1966 22.469 17.057 22.456 1.00 0.00 WT1 H ATOM 3805 H2 TIP3W1966 22.408 15.549 22.476 1.00 0.00 WT1 H ATOM 3806 OH2 TIP3W1967 10.228 14.404 8.136 1.00 0.00 WT1 O ATOM 3807 H1 TIP3W1967 10.917 15.127 7.890 1.00 0.00 WT1 H ATOM 3808 H2 TIP3W1967 10.138 14.379 9.123 1.00 0.00 WT1 H ATOM 3809 OH2 TIP3W1976 24.603 33.426 -20.255 1.00 0.00 WT1 O ATOM 3810 H1 TIP3W1976 24.312 33.341 -21.187 1.00 0.00 WT1 H ATOM 3811 H2 TIP3W1976 24.239 32.638 -19.828 1.00 0.00 WT1 H ATOM 3812 OH2 TIP3W1977 27.998 21.772 -17.691 1.00 0.00 WT1 O ATOM 3813 H1 TIP3W1977 27.713 20.964 -18.243 1.00 0.00 WT1 H ATOM 3814 H2 TIP3W1977 28.103 22.437 -18.415 1.00 0.00 WT1 H ATOM 3815 OH2 TIP3W1978 6.154 39.816 -21.394 1.00 0.00 WT1 O ATOM 3816 H1 TIP3W1978 5.284 40.097 -21.341 1.00 0.00 WT1 H ATOM 3817 H2 TIP3W1978 6.098 38.960 -20.958 1.00 0.00 WT1 H ATOM 3818 OH2 TIP3W1984 14.266 30.489 15.300 1.00 0.00 WT1 O ATOM 3819 H1 TIP3W1984 14.471 31.453 15.463 1.00 0.00 WT1 H ATOM 3820 H2 TIP3W1984 14.194 30.182 16.248 1.00 0.00 WT1 H ATOM 3821 OH2 TIP3W1986 12.223 36.218 8.046 1.00 0.00 WT1 O ATOM 3822 H1 TIP3W1986 12.765 36.944 7.637 1.00 0.00 WT1 H ATOM 3823 H2 TIP3W1986 12.291 36.453 8.962 1.00 0.00 WT1 H ATOM 3824 OH2 TIP3W1988 26.540 26.765 17.835 1.00 0.00 WT1 O ATOM 3825 H1 TIP3W1988 26.924 25.909 17.562 1.00 0.00 WT1 H ATOM 3826 H2 TIP3W1988 25.647 26.836 17.370 1.00 0.00 WT1 H ATOM 3827 OH2 TIP3W1989 24.045 36.160 13.982 1.00 0.00 WT1 O ATOM 3828 H1 TIP3W1989 23.334 35.601 13.553 1.00 0.00 WT1 H ATOM 3829 H2 TIP3W1989 23.574 36.815 14.487 1.00 0.00 WT1 H ATOM 3830 OH2 TIP3W1993 27.001 27.643 -15.644 1.00 0.00 WT1 O ATOM 3831 H1 TIP3W1993 27.559 27.208 -16.256 1.00 0.00 WT1 H ATOM 3832 H2 TIP3W1993 27.004 27.011 -14.875 1.00 0.00 WT1 H ATOM 3833 OH2 TIP3W1999 13.789 31.752 -0.026 1.00 0.00 WT1 O ATOM 3834 H1 TIP3W1999 13.003 32.295 -0.033 1.00 0.00 WT1 H ATOM 3835 H2 TIP3W1999 13.496 30.909 0.337 1.00 0.00 WT1 H ATOM 3836 OH2 TIP3W2000 7.952 40.362 -13.812 1.00 0.00 WT1 O ATOM 3837 H1 TIP3W2000 7.248 40.542 -13.209 1.00 0.00 WT1 H ATOM 3838 H2 TIP3W2000 8.111 39.410 -13.690 1.00 0.00 WT1 H ATOM 3839 OH2 TIP3W2001 37.493 46.072 -4.509 1.00 0.00 WT1 O ATOM 3840 H1 TIP3W2001 37.437 46.531 -5.299 1.00 0.00 WT1 H ATOM 3841 H2 TIP3W2001 36.564 45.886 -4.328 1.00 0.00 WT1 H ATOM 3842 OH2 TIP3W2003 14.049 30.006 4.784 1.00 0.00 WT1 O ATOM 3843 H1 TIP3W2003 13.491 29.223 4.860 1.00 0.00 WT1 H ATOM 3844 H2 TIP3W2003 14.448 29.946 3.869 1.00 0.00 WT1 H ATOM 3845 OH2 TIP3W2005 22.624 40.353 8.443 1.00 0.00 WT1 O ATOM 3846 H1 TIP3W2005 22.096 40.744 9.196 1.00 0.00 WT1 H ATOM 3847 H2 TIP3W2005 23.093 39.522 8.774 1.00 0.00 WT1 H ATOM 3848 OH2 TIP3W2007 19.597 41.444 21.062 1.00 0.00 WT1 O ATOM 3849 H1 TIP3W2007 20.474 41.390 21.304 1.00 0.00 WT1 H ATOM 3850 H2 TIP3W2007 19.288 42.172 21.491 1.00 0.00 WT1 H ATOM 3851 OH2 TIP3W2009 24.879 18.221 16.994 1.00 0.00 WT1 O ATOM 3852 H1 TIP3W2009 25.257 17.404 17.411 1.00 0.00 WT1 H ATOM 3853 H2 TIP3W2009 25.003 18.085 16.053 1.00 0.00 WT1 H ATOM 3854 OH2 TIP3W2014 20.991 32.201 -19.994 1.00 0.00 WT1 O ATOM 3855 H1 TIP3W2014 20.936 32.456 -20.909 1.00 0.00 WT1 H ATOM 3856 H2 TIP3W2014 20.192 31.783 -19.790 1.00 0.00 WT1 H ATOM 3857 OH2 TIP3W2016 12.913 39.593 -10.896 1.00 0.00 WT1 O ATOM 3858 H1 TIP3W2016 11.951 39.614 -10.667 1.00 0.00 WT1 H ATOM 3859 H2 TIP3W2016 13.015 40.177 -11.730 1.00 0.00 WT1 H ATOM 3860 OH2 TIP3W2022 7.969 35.515 -8.159 1.00 0.00 WT1 O ATOM 3861 H1 TIP3W2022 7.679 35.264 -9.046 1.00 0.00 WT1 H ATOM 3862 H2 TIP3W2022 8.921 35.438 -8.226 1.00 0.00 WT1 H ATOM 3863 OH2 TIP3W2025 8.036 33.123 2.681 1.00 0.00 WT1 O ATOM 3864 H1 TIP3W2025 8.418 33.384 1.805 1.00 0.00 WT1 H ATOM 3865 H2 TIP3W2025 7.677 32.266 2.409 1.00 0.00 WT1 H ATOM 3866 OH2 TIP3W2027 35.533 34.120 21.531 1.00 0.00 WT1 O ATOM 3867 H1 TIP3W2027 35.255 34.408 20.653 1.00 0.00 WT1 H ATOM 3868 H2 TIP3W2027 34.922 33.451 21.801 1.00 0.00 WT1 H ATOM 3869 OH2 TIP3W2028 25.017 28.104 19.675 1.00 0.00 WT1 O ATOM 3870 H1 TIP3W2028 25.455 27.395 19.180 1.00 0.00 WT1 H ATOM 3871 H2 TIP3W2028 24.336 27.620 20.149 1.00 0.00 WT1 H ATOM 3872 OH2 TIP3W2029 35.132 38.744 17.621 1.00 0.00 WT1 O ATOM 3873 H1 TIP3W2029 35.353 39.335 18.299 1.00 0.00 WT1 H ATOM 3874 H2 TIP3W2029 35.957 38.733 17.084 1.00 0.00 WT1 H ATOM 3875 OH2 TIP3W2031 33.748 34.943 17.199 1.00 0.00 WT1 O ATOM 3876 H1 TIP3W2031 34.286 35.374 16.549 1.00 0.00 WT1 H ATOM 3877 H2 TIP3W2031 34.385 34.969 17.947 1.00 0.00 WT1 H ATOM 3878 OH2 TIP3W2032 18.477 49.166 15.526 1.00 0.00 WT1 O ATOM 3879 H1 TIP3W2032 17.906 49.714 14.965 1.00 0.00 WT1 H ATOM 3880 H2 TIP3W2032 19.259 49.102 14.978 1.00 0.00 WT1 H ATOM 3881 OH2 TIP3W2038 15.359 38.786 -14.303 1.00 0.00 WT1 O ATOM 3882 H1 TIP3W2038 15.882 39.301 -13.671 1.00 0.00 WT1 H ATOM 3883 H2 TIP3W2038 14.392 39.101 -14.134 1.00 0.00 WT1 H ATOM 3884 OH2 TIP3W2039 26.811 37.376 -21.198 1.00 0.00 WT1 O ATOM 3885 H1 TIP3W2039 25.955 36.994 -20.898 1.00 0.00 WT1 H ATOM 3886 H2 TIP3W2039 26.768 38.236 -20.688 1.00 0.00 WT1 H ATOM 3887 OH2 TIP3W2043 39.709 37.475 -10.283 1.00 0.00 WT1 O ATOM 3888 H1 TIP3W2043 40.144 36.644 -10.517 1.00 0.00 WT1 H ATOM 3889 H2 TIP3W2043 40.010 37.642 -9.369 1.00 0.00 WT1 H ATOM 3890 OH2 TIP3W2047 15.187 45.746 10.012 1.00 0.00 WT1 O ATOM 3891 H1 TIP3W2047 15.517 45.105 10.594 1.00 0.00 WT1 H ATOM 3892 H2 TIP3W2047 14.387 45.398 9.590 1.00 0.00 WT1 H ATOM 3893 OH2 TIP3W2048 31.856 44.547 10.531 1.00 0.00 WT1 O ATOM 3894 H1 TIP3W2048 31.188 44.962 11.059 1.00 0.00 WT1 H ATOM 3895 H2 TIP3W2048 32.396 44.081 11.226 1.00 0.00 WT1 H ATOM 3896 OH2 TIP3W2049 10.998 28.604 19.628 1.00 0.00 WT1 O ATOM 3897 H1 TIP3W2049 10.210 28.035 19.960 1.00 0.00 WT1 H ATOM 3898 H2 TIP3W2049 10.619 29.360 19.201 1.00 0.00 WT1 H ATOM 3899 OH2 TIP3W2050 22.627 34.811 19.570 1.00 0.00 WT1 O ATOM 3900 H1 TIP3W2050 23.141 34.035 19.826 1.00 0.00 WT1 H ATOM 3901 H2 TIP3W2050 21.939 34.428 18.950 1.00 0.00 WT1 H ATOM 3902 OH2 TIP3W2052 22.983 37.452 20.866 1.00 0.00 WT1 O ATOM 3903 H1 TIP3W2052 22.484 37.890 20.207 1.00 0.00 WT1 H ATOM 3904 H2 TIP3W2052 22.930 36.501 20.582 1.00 0.00 WT1 H ATOM 3905 OH2 TIP3W2053 7.264 30.015 21.731 1.00 0.00 WT1 O ATOM 3906 H1 TIP3W2053 6.583 30.008 22.338 1.00 0.00 WT1 H ATOM 3907 H2 TIP3W2053 6.895 30.516 20.997 1.00 0.00 WT1 H ATOM 3908 OH2 TIP3W2060 10.883 42.238 -10.503 1.00 0.00 WT1 O ATOM 3909 H1 TIP3W2060 11.615 42.606 -9.915 1.00 0.00 WT1 H ATOM 3910 H2 TIP3W2060 11.037 42.750 -11.329 1.00 0.00 WT1 H ATOM 3911 OH2 TIP3W2062 22.508 45.642 -2.908 1.00 0.00 WT1 O ATOM 3912 H1 TIP3W2062 23.407 45.474 -2.534 1.00 0.00 WT1 H ATOM 3913 H2 TIP3W2062 22.476 46.631 -2.789 1.00 0.00 WT1 H ATOM 3914 OH2 TIP3W2063 10.035 45.307 -12.854 1.00 0.00 WT1 O ATOM 3915 H1 TIP3W2063 10.239 46.261 -12.659 1.00 0.00 WT1 H ATOM 3916 H2 TIP3W2063 9.111 45.178 -12.583 1.00 0.00 WT1 H ATOM 3917 OH2 TIP3W2065 30.461 44.345 20.323 1.00 0.00 WT1 O ATOM 3918 H1 TIP3W2065 30.132 44.136 19.488 1.00 0.00 WT1 H ATOM 3919 H2 TIP3W2065 31.285 44.785 20.124 1.00 0.00 WT1 H ATOM 3920 OH2 TIP3W2069 16.968 47.378 6.873 1.00 0.00 WT1 O ATOM 3921 H1 TIP3W2069 17.487 47.252 6.063 1.00 0.00 WT1 H ATOM 3922 H2 TIP3W2069 16.782 46.416 7.017 1.00 0.00 WT1 H ATOM 3923 OH2 TIP3W2070 13.028 34.325 11.356 1.00 0.00 WT1 O ATOM 3924 H1 TIP3W2070 12.580 33.879 12.081 1.00 0.00 WT1 H ATOM 3925 H2 TIP3W2070 12.891 33.648 10.648 1.00 0.00 WT1 H ATOM 3926 OH2 TIP3W2073 20.884 42.859 18.146 1.00 0.00 WT1 O ATOM 3927 H1 TIP3W2073 20.041 43.056 17.753 1.00 0.00 WT1 H ATOM 3928 H2 TIP3W2073 20.607 42.436 18.980 1.00 0.00 WT1 H ATOM 3929 OH2 TIP3W2081 40.441 43.228 -16.932 1.00 0.00 WT1 O ATOM 3930 H1 TIP3W2081 40.006 43.058 -17.760 1.00 0.00 WT1 H ATOM 3931 H2 TIP3W2081 41.138 42.491 -17.021 1.00 0.00 WT1 H ATOM 3932 OH2 TIP3W2082 26.573 37.358 -17.823 1.00 0.00 WT1 O ATOM 3933 H1 TIP3W2082 27.437 37.697 -17.961 1.00 0.00 WT1 H ATOM 3934 H2 TIP3W2082 25.969 37.657 -18.629 1.00 0.00 WT1 H ATOM 3935 OH2 TIP3W2083 5.831 36.141 -6.462 1.00 0.00 WT1 O ATOM 3936 H1 TIP3W2083 6.552 36.056 -7.143 1.00 0.00 WT1 H ATOM 3937 H2 TIP3W2083 6.250 36.751 -5.789 1.00 0.00 WT1 H ATOM 3938 OH2 TIP3W2084 13.672 39.526 -19.562 1.00 0.00 WT1 O ATOM 3939 H1 TIP3W2084 14.304 39.137 -20.168 1.00 0.00 WT1 H ATOM 3940 H2 TIP3W2084 13.261 38.754 -19.211 1.00 0.00 WT1 H ATOM 3941 OH2 TIP3W2088 16.492 49.712 -1.321 1.00 0.00 WT1 O ATOM 3942 H1 TIP3W2088 16.005 50.535 -1.227 1.00 0.00 WT1 H ATOM 3943 H2 TIP3W2088 17.156 49.903 -0.616 1.00 0.00 WT1 H ATOM 3944 OH2 TIP3W2089 17.498 40.810 9.852 1.00 0.00 WT1 O ATOM 3945 H1 TIP3W2089 16.727 40.902 10.431 1.00 0.00 WT1 H ATOM 3946 H2 TIP3W2089 18.174 41.319 10.305 1.00 0.00 WT1 H ATOM 3947 OH2 TIP3W2090 12.248 46.439 2.926 1.00 0.00 WT1 O ATOM 3948 H1 TIP3W2090 11.427 46.392 2.428 1.00 0.00 WT1 H ATOM 3949 H2 TIP3W2090 12.783 45.744 2.434 1.00 0.00 WT1 H ATOM 3950 OH2 TIP3W2091 18.067 48.068 0.579 1.00 0.00 WT1 O ATOM 3951 H1 TIP3W2091 19.006 48.114 0.821 1.00 0.00 WT1 H ATOM 3952 H2 TIP3W2091 18.058 47.968 -0.379 1.00 0.00 WT1 H ATOM 3953 OH2 TIP3W2092 11.301 43.719 14.507 1.00 0.00 WT1 O ATOM 3954 H1 TIP3W2092 11.469 44.424 13.841 1.00 0.00 WT1 H ATOM 3955 H2 TIP3W2092 10.549 43.247 14.150 1.00 0.00 WT1 H ATOM 3956 OH2 TIP3W2095 10.976 38.845 18.411 1.00 0.00 WT1 O ATOM 3957 H1 TIP3W2095 10.551 39.639 18.737 1.00 0.00 WT1 H ATOM 3958 H2 TIP3W2095 11.492 39.202 17.712 1.00 0.00 WT1 H ATOM 3959 OH2 TIP3W2102 21.405 49.747 -4.123 1.00 0.00 WT1 O ATOM 3960 H1 TIP3W2102 22.159 49.460 -4.670 1.00 0.00 WT1 H ATOM 3961 H2 TIP3W2102 21.510 49.233 -3.265 1.00 0.00 WT1 H ATOM 3962 OH2 TIP3W2105 12.383 26.956 -5.909 1.00 0.00 WT1 O ATOM 3963 H1 TIP3W2105 12.181 27.483 -6.697 1.00 0.00 WT1 H ATOM 3964 H2 TIP3W2105 12.518 27.678 -5.221 1.00 0.00 WT1 H ATOM 3965 OH2 TIP3W2106 41.677 40.504 -3.189 1.00 0.00 WT1 O ATOM 3966 H1 TIP3W2106 42.288 39.745 -3.068 1.00 0.00 WT1 H ATOM 3967 H2 TIP3W2106 41.497 40.400 -4.138 1.00 0.00 WT1 H ATOM 3968 OH2 TIP3W2107 12.750 41.583 2.288 1.00 0.00 WT1 O ATOM 3969 H1 TIP3W2107 13.243 42.102 1.642 1.00 0.00 WT1 H ATOM 3970 H2 TIP3W2107 13.073 40.672 2.109 1.00 0.00 WT1 H ATOM 3971 OH2 TIP3W2109 21.189 45.001 15.264 1.00 0.00 WT1 O ATOM 3972 H1 TIP3W2109 21.342 44.077 14.934 1.00 0.00 WT1 H ATOM 3973 H2 TIP3W2109 21.519 45.045 16.198 1.00 0.00 WT1 H ATOM 3974 OH2 TIP3W2110 29.531 43.374 5.478 1.00 0.00 WT1 O ATOM 3975 H1 TIP3W2110 28.546 43.229 5.500 1.00 0.00 WT1 H ATOM 3976 H2 TIP3W2110 29.666 43.542 6.415 1.00 0.00 WT1 H ATOM 3977 OH2 TIP3W2116 9.598 40.240 9.601 1.00 0.00 WT1 O ATOM 3978 H1 TIP3W2116 9.889 40.376 10.511 1.00 0.00 WT1 H ATOM 3979 H2 TIP3W2116 10.275 39.689 9.170 1.00 0.00 WT1 H ATOM 3980 OH2 TIP3W2123 15.273 0.307 -10.004 1.00 0.00 WT1 O ATOM 3981 H1 TIP3W2123 14.629 0.810 -10.460 1.00 0.00 WT1 H ATOM 3982 H2 TIP3W2123 16.019 0.737 -10.584 1.00 0.00 WT1 H ATOM 3983 OH2 TIP3W2124 11.389 48.851 -8.627 1.00 0.00 WT1 O ATOM 3984 H1 TIP3W2124 12.047 48.669 -9.316 1.00 0.00 WT1 H ATOM 3985 H2 TIP3W2124 11.933 49.340 -7.992 1.00 0.00 WT1 H ATOM 3986 OH2 TIP3W2127 5.292 5.982 4.145 1.00 0.00 WT1 O ATOM 3987 H1 TIP3W2127 5.552 6.600 3.414 1.00 0.00 WT1 H ATOM 3988 H2 TIP3W2127 5.270 5.093 3.710 1.00 0.00 WT1 H ATOM 3989 OH2 TIP3W2129 9.739 47.294 -6.401 1.00 0.00 WT1 O ATOM 3990 H1 TIP3W2129 9.661 48.089 -6.929 1.00 0.00 WT1 H ATOM 3991 H2 TIP3W2129 9.946 47.660 -5.526 1.00 0.00 WT1 H ATOM 3992 OH2 TIP3W2132 5.132 48.685 19.990 1.00 0.00 WT1 O ATOM 3993 H1 TIP3W2132 4.316 49.006 20.356 1.00 0.00 WT1 H ATOM 3994 H2 TIP3W2132 5.355 49.426 19.436 1.00 0.00 WT1 H ATOM 3995 OH2 TIP3W2133 19.103 3.162 16.734 1.00 0.00 WT1 O ATOM 3996 H1 TIP3W2133 18.760 3.677 15.964 1.00 0.00 WT1 H ATOM 3997 H2 TIP3W2133 19.144 3.799 17.400 1.00 0.00 WT1 H ATOM 3998 OH2 TIP3W2135 16.689 39.578 14.508 1.00 0.00 WT1 O ATOM 3999 H1 TIP3W2135 17.216 40.359 14.088 1.00 0.00 WT1 H ATOM 4000 H2 TIP3W2135 15.841 39.935 14.768 1.00 0.00 WT1 H ATOM 4001 OH2 TIP3W2136 17.282 45.378 20.208 1.00 0.00 WT1 O ATOM 4002 H1 TIP3W2136 18.221 45.521 19.996 1.00 0.00 WT1 H ATOM 4003 H2 TIP3W2136 16.926 44.815 19.500 1.00 0.00 WT1 H ATOM 4004 OH2 TIP3W2147 12.592 6.378 5.414 1.00 0.00 WT1 O ATOM 4005 H1 TIP3W2147 13.523 6.727 5.774 1.00 0.00 WT1 H ATOM 4006 H2 TIP3W2147 12.202 6.031 6.219 1.00 0.00 WT1 H ATOM 4007 OH2 TIP3W2151 23.016 -0.423 16.431 1.00 0.00 WT1 O ATOM 4008 H1 TIP3W2151 22.285 -1.039 16.537 1.00 0.00 WT1 H ATOM 4009 H2 TIP3W2151 22.731 0.337 16.962 1.00 0.00 WT1 H ATOM 4010 OH2 TIP3W2163 9.836 6.939 -6.936 1.00 0.00 WT1 O ATOM 4011 H1 TIP3W2163 9.260 6.788 -7.722 1.00 0.00 WT1 H ATOM 4012 H2 TIP3W2163 9.255 7.489 -6.431 1.00 0.00 WT1 H ATOM 4013 OH2 TIP3W2165 19.086 3.509 -9.351 1.00 0.00 WT1 O ATOM 4014 H1 TIP3W2165 18.946 4.522 -9.542 1.00 0.00 WT1 H ATOM 4015 H2 TIP3W2165 18.175 3.282 -9.190 1.00 0.00 WT1 H ATOM 4016 OH2 TIP3W2167 11.839 3.078 -20.398 1.00 0.00 WT1 O ATOM 4017 H1 TIP3W2167 12.623 3.152 -20.937 1.00 0.00 WT1 H ATOM 4018 H2 TIP3W2167 11.093 3.081 -21.026 1.00 0.00 WT1 H ATOM 4019 OH2 TIP3W2168 21.685 45.826 -20.556 1.00 0.00 WT1 O ATOM 4020 H1 TIP3W2168 21.557 46.212 -21.455 1.00 0.00 WT1 H ATOM 4021 H2 TIP3W2168 22.154 46.565 -20.127 1.00 0.00 WT1 H ATOM 4022 OH2 TIP3W2171 7.170 49.506 4.792 1.00 0.00 WT1 O ATOM 4023 H1 TIP3W2171 7.365 50.025 5.605 1.00 0.00 WT1 H ATOM 4024 H2 TIP3W2171 6.716 50.122 4.193 1.00 0.00 WT1 H ATOM 4025 OH2 TIP3W2172 15.745 -0.594 0.265 1.00 0.00 WT1 O ATOM 4026 H1 TIP3W2172 16.168 -1.327 -0.137 1.00 0.00 WT1 H ATOM 4027 H2 TIP3W2172 16.529 -0.149 0.714 1.00 0.00 WT1 H ATOM 4028 OH2 TIP3W2185 23.318 0.767 -1.933 1.00 0.00 WT1 O ATOM 4029 H1 TIP3W2185 23.246 1.656 -2.369 1.00 0.00 WT1 H ATOM 4030 H2 TIP3W2185 23.842 0.281 -2.633 1.00 0.00 WT1 H ATOM 4031 OH2 TIP3W2186 28.358 3.958 -5.061 1.00 0.00 WT1 O ATOM 4032 H1 TIP3W2186 28.481 4.431 -4.185 1.00 0.00 WT1 H ATOM 4033 H2 TIP3W2186 27.435 3.941 -5.195 1.00 0.00 WT1 H ATOM 4034 OH2 TIP3W2187 28.522 0.284 -9.661 1.00 0.00 WT1 O ATOM 4035 H1 TIP3W2187 27.892 -0.069 -8.995 1.00 0.00 WT1 H ATOM 4036 H2 TIP3W2187 28.651 -0.431 -10.269 1.00 0.00 WT1 H ATOM 4037 OH2 TIP3W2188 18.232 49.890 -19.613 1.00 0.00 WT1 O ATOM 4038 H1 TIP3W2188 18.033 50.020 -20.551 1.00 0.00 WT1 H ATOM 4039 H2 TIP3W2188 17.547 50.449 -19.191 1.00 0.00 WT1 H ATOM 4040 OH2 TIP3W2194 13.379 41.568 14.102 1.00 0.00 WT1 O ATOM 4041 H1 TIP3W2194 13.966 41.979 13.547 1.00 0.00 WT1 H ATOM 4042 H2 TIP3W2194 12.734 42.245 14.239 1.00 0.00 WT1 H ATOM 4043 OH2 TIP3W2197 11.284 12.302 17.715 1.00 0.00 WT1 O ATOM 4044 H1 TIP3W2197 11.562 12.572 18.572 1.00 0.00 WT1 H ATOM 4045 H2 TIP3W2197 10.992 11.372 17.894 1.00 0.00 WT1 H ATOM 4046 OH2 TIP3W2198 15.942 4.152 21.331 1.00 0.00 WT1 O ATOM 4047 H1 TIP3W2198 15.969 4.147 20.365 1.00 0.00 WT1 H ATOM 4048 H2 TIP3W2198 16.885 4.212 21.549 1.00 0.00 WT1 H ATOM 4049 OH2 TIP3W2204 17.300 47.986 19.095 1.00 0.00 WT1 O ATOM 4050 H1 TIP3W2204 17.315 47.144 19.577 1.00 0.00 WT1 H ATOM 4051 H2 TIP3W2204 17.413 48.655 19.796 1.00 0.00 WT1 H ATOM 4052 OH2 TIP3W2211 22.234 3.250 4.625 1.00 0.00 WT1 O ATOM 4053 H1 TIP3W2211 23.172 3.100 4.522 1.00 0.00 WT1 H ATOM 4054 H2 TIP3W2211 22.141 3.281 5.601 1.00 0.00 WT1 H ATOM 4055 OH2 TIP3W2217 20.785 7.736 12.061 1.00 0.00 WT1 O ATOM 4056 H1 TIP3W2217 19.751 7.786 12.037 1.00 0.00 WT1 H ATOM 4057 H2 TIP3W2217 21.035 7.664 11.103 1.00 0.00 WT1 H ATOM 4058 OH2 TIP3W2219 17.859 4.890 14.840 1.00 0.00 WT1 O ATOM 4059 H1 TIP3W2219 18.339 5.538 14.310 1.00 0.00 WT1 H ATOM 4060 H2 TIP3W2219 17.325 4.446 14.117 1.00 0.00 WT1 H ATOM 4061 OH2 TIP3W2227 15.510 2.721 -18.323 1.00 0.00 WT1 O ATOM 4062 H1 TIP3W2227 16.363 2.930 -17.866 1.00 0.00 WT1 H ATOM 4063 H2 TIP3W2227 14.882 2.996 -17.656 1.00 0.00 WT1 H ATOM 4064 OH2 TIP3W2231 9.194 2.651 -8.081 1.00 0.00 WT1 O ATOM 4065 H1 TIP3W2231 9.280 3.316 -7.421 1.00 0.00 WT1 H ATOM 4066 H2 TIP3W2231 8.242 2.545 -8.201 1.00 0.00 WT1 H ATOM 4067 OH2 TIP3W2235 34.433 6.440 15.284 1.00 0.00 WT1 O ATOM 4068 H1 TIP3W2235 35.216 6.813 14.831 1.00 0.00 WT1 H ATOM 4069 H2 TIP3W2235 34.679 6.301 16.203 1.00 0.00 WT1 H ATOM 4070 OH2 TIP3W2236 6.106 15.217 4.728 1.00 0.00 WT1 O ATOM 4071 H1 TIP3W2236 6.748 15.950 4.900 1.00 0.00 WT1 H ATOM 4072 H2 TIP3W2236 6.241 14.596 5.473 1.00 0.00 WT1 H ATOM 4073 OH2 TIP3W2237 30.674 0.763 18.345 1.00 0.00 WT1 O ATOM 4074 H1 TIP3W2237 30.332 -0.043 18.831 1.00 0.00 WT1 H ATOM 4075 H2 TIP3W2237 30.873 0.425 17.416 1.00 0.00 WT1 H ATOM 4076 OH2 TIP3W2240 20.644 0.833 12.115 1.00 0.00 WT1 O ATOM 4077 H1 TIP3W2240 20.457 0.028 12.715 1.00 0.00 WT1 H ATOM 4078 H2 TIP3W2240 21.562 0.651 11.847 1.00 0.00 WT1 H ATOM 4079 OH2 TIP3W2241 21.532 4.357 22.583 1.00 0.00 WT1 O ATOM 4080 H1 TIP3W2241 22.045 5.180 22.337 1.00 0.00 WT1 H ATOM 4081 H2 TIP3W2241 21.539 3.832 21.749 1.00 0.00 WT1 H ATOM 4082 OH2 TIP3W2244 18.177 3.194 -17.840 1.00 0.00 WT1 O ATOM 4083 H1 TIP3W2244 18.377 3.211 -16.890 1.00 0.00 WT1 H ATOM 4084 H2 TIP3W2244 18.432 4.064 -18.146 1.00 0.00 WT1 H ATOM 4085 OH2 TIP3W2250 21.732 1.970 -17.592 1.00 0.00 WT1 O ATOM 4086 H1 TIP3W2250 22.505 2.004 -18.196 1.00 0.00 WT1 H ATOM 4087 H2 TIP3W2250 21.707 0.995 -17.387 1.00 0.00 WT1 H ATOM 4088 OH2 TIP3W2251 21.001 16.486 -15.035 1.00 0.00 WT1 O ATOM 4089 H1 TIP3W2251 20.716 17.123 -15.702 1.00 0.00 WT1 H ATOM 4090 H2 TIP3W2251 21.125 17.096 -14.212 1.00 0.00 WT1 H ATOM 4091 OH2 TIP3W2253 22.503 16.540 -12.044 1.00 0.00 WT1 O ATOM 4092 H1 TIP3W2253 22.268 17.481 -11.961 1.00 0.00 WT1 H ATOM 4093 H2 TIP3W2253 23.461 16.560 -12.147 1.00 0.00 WT1 H ATOM 4094 OH2 TIP3W2254 21.737 7.030 -6.732 1.00 0.00 WT1 O ATOM 4095 H1 TIP3W2254 20.769 7.093 -6.751 1.00 0.00 WT1 H ATOM 4096 H2 TIP3W2254 21.947 6.339 -7.406 1.00 0.00 WT1 H ATOM 4097 OH2 TIP3W2257 13.982 -0.842 3.064 1.00 0.00 WT1 O ATOM 4098 H1 TIP3W2257 13.258 -1.136 3.583 1.00 0.00 WT1 H ATOM 4099 H2 TIP3W2257 13.651 -0.024 2.724 1.00 0.00 WT1 H ATOM 4100 OH2 TIP3W2258 26.730 4.704 12.338 1.00 0.00 WT1 O ATOM 4101 H1 TIP3W2258 26.203 3.905 12.442 1.00 0.00 WT1 H ATOM 4102 H2 TIP3W2258 27.464 4.338 11.738 1.00 0.00 WT1 H ATOM 4103 OH2 TIP3W2259 30.312 11.572 21.809 1.00 0.00 WT1 O ATOM 4104 H1 TIP3W2259 29.869 11.750 20.984 1.00 0.00 WT1 H ATOM 4105 H2 TIP3W2259 29.991 12.302 22.331 1.00 0.00 WT1 H ATOM 4106 OH2 TIP3W2260 16.057 14.430 18.451 1.00 0.00 WT1 O ATOM 4107 H1 TIP3W2260 16.384 14.403 19.339 1.00 0.00 WT1 H ATOM 4108 H2 TIP3W2260 15.250 15.007 18.406 1.00 0.00 WT1 H ATOM 4109 OH2 TIP3W2261 19.554 5.220 18.515 1.00 0.00 WT1 O ATOM 4110 H1 TIP3W2261 18.748 5.701 18.526 1.00 0.00 WT1 H ATOM 4111 H2 TIP3W2261 20.102 5.743 19.107 1.00 0.00 WT1 H ATOM 4112 OH2 TIP3W2269 24.950 6.558 -1.156 1.00 0.00 WT1 O ATOM 4113 H1 TIP3W2269 24.969 6.514 -2.099 1.00 0.00 WT1 H ATOM 4114 H2 TIP3W2269 25.845 6.874 -0.883 1.00 0.00 WT1 H ATOM 4115 OH2 TIP3W2270 7.484 9.729 -15.840 1.00 0.00 WT1 O ATOM 4116 H1 TIP3W2270 8.214 9.643 -16.442 1.00 0.00 WT1 H ATOM 4117 H2 TIP3W2270 7.514 10.674 -15.665 1.00 0.00 WT1 H ATOM 4118 OH2 TIP3W2271 28.345 10.007 -10.852 1.00 0.00 WT1 O ATOM 4119 H1 TIP3W2271 28.717 10.917 -10.955 1.00 0.00 WT1 H ATOM 4120 H2 TIP3W2271 27.793 9.912 -11.642 1.00 0.00 WT1 H ATOM 4121 OH2 TIP3W2272 17.232 1.481 -4.382 1.00 0.00 WT1 O ATOM 4122 H1 TIP3W2272 16.731 1.001 -3.705 1.00 0.00 WT1 H ATOM 4123 H2 TIP3W2272 16.550 1.566 -5.093 1.00 0.00 WT1 H ATOM 4124 OH2 TIP3W2274 18.065 28.946 -3.134 1.00 0.00 WT1 O ATOM 4125 H1 TIP3W2274 17.111 28.900 -2.984 1.00 0.00 WT1 H ATOM 4126 H2 TIP3W2274 18.194 29.196 -4.016 1.00 0.00 WT1 H ATOM 4127 OH2 TIP3W2275 25.153 13.573 -13.202 1.00 0.00 WT1 O ATOM 4128 H1 TIP3W2275 25.926 14.225 -13.270 1.00 0.00 WT1 H ATOM 4129 H2 TIP3W2275 24.358 14.089 -13.239 1.00 0.00 WT1 H ATOM 4130 OH2 TIP3W2277 17.954 6.531 -0.848 1.00 0.00 WT1 O ATOM 4131 H1 TIP3W2277 17.493 5.728 -1.114 1.00 0.00 WT1 H ATOM 4132 H2 TIP3W2277 17.328 6.885 -0.107 1.00 0.00 WT1 H ATOM 4133 OH2 TIP3W2280 10.922 1.966 -4.752 1.00 0.00 WT1 O ATOM 4134 H1 TIP3W2280 10.448 1.557 -3.964 1.00 0.00 WT1 H ATOM 4135 H2 TIP3W2280 10.558 1.453 -5.488 1.00 0.00 WT1 H ATOM 4136 OH2 TIP3W2281 14.228 10.348 8.980 1.00 0.00 WT1 O ATOM 4137 H1 TIP3W2281 14.062 11.272 8.839 1.00 0.00 WT1 H ATOM 4138 H2 TIP3W2281 13.614 9.881 8.351 1.00 0.00 WT1 H ATOM 4139 OH2 TIP3W2282 5.950 8.053 21.032 1.00 0.00 WT1 O ATOM 4140 H1 TIP3W2282 5.059 7.948 20.689 1.00 0.00 WT1 H ATOM 4141 H2 TIP3W2282 6.355 8.846 20.632 1.00 0.00 WT1 H ATOM 4142 OH2 TIP3W2283 10.105 13.888 15.496 1.00 0.00 WT1 O ATOM 4143 H1 TIP3W2283 9.149 14.021 15.684 1.00 0.00 WT1 H ATOM 4144 H2 TIP3W2283 10.363 13.159 16.090 1.00 0.00 WT1 H ATOM 4145 OH2 TIP3W2285 28.593 3.529 19.741 1.00 0.00 WT1 O ATOM 4146 H1 TIP3W2285 28.307 3.691 18.806 1.00 0.00 WT1 H ATOM 4147 H2 TIP3W2285 29.514 3.227 19.660 1.00 0.00 WT1 H ATOM 4148 OH2 TIP3W2286 12.652 15.108 15.286 1.00 0.00 WT1 O ATOM 4149 H1 TIP3W2286 13.177 14.423 15.707 1.00 0.00 WT1 H ATOM 4150 H2 TIP3W2286 11.731 14.730 15.160 1.00 0.00 WT1 H ATOM 4151 OH2 TIP3W2288 7.938 14.023 -12.110 1.00 0.00 WT1 O ATOM 4152 H1 TIP3W2288 7.914 14.938 -12.429 1.00 0.00 WT1 H ATOM 4153 H2 TIP3W2288 7.576 14.048 -11.202 1.00 0.00 WT1 H ATOM 4154 OH2 TIP3W2290 5.922 31.065 -17.260 1.00 0.00 WT1 O ATOM 4155 H1 TIP3W2290 6.234 30.398 -16.613 1.00 0.00 WT1 H ATOM 4156 H2 TIP3W2290 4.988 31.127 -17.063 1.00 0.00 WT1 H ATOM 4157 OH2 TIP3W2292 23.770 4.161 -7.349 1.00 0.00 WT1 O ATOM 4158 H1 TIP3W2292 24.506 4.820 -7.149 1.00 0.00 WT1 H ATOM 4159 H2 TIP3W2292 23.404 4.445 -8.213 1.00 0.00 WT1 H ATOM 4160 OH2 TIP3W2293 5.951 16.834 -13.658 1.00 0.00 WT1 O ATOM 4161 H1 TIP3W2293 5.065 17.060 -13.786 1.00 0.00 WT1 H ATOM 4162 H2 TIP3W2293 6.291 17.573 -13.129 1.00 0.00 WT1 H ATOM 4163 OH2 TIP3W2295 13.026 -0.611 -0.223 1.00 0.00 WT1 O ATOM 4164 H1 TIP3W2295 12.669 -1.031 0.666 1.00 0.00 WT1 H ATOM 4165 H2 TIP3W2295 13.932 -0.384 -0.104 1.00 0.00 WT1 H ATOM 4166 OH2 TIP3W2296 31.618 9.211 -9.251 1.00 0.00 WT1 O ATOM 4167 H1 TIP3W2296 31.639 8.854 -10.194 1.00 0.00 WT1 H ATOM 4168 H2 TIP3W2296 31.646 10.167 -9.420 1.00 0.00 WT1 H ATOM 4169 OH2 TIP3W2301 14.675 8.281 11.665 1.00 0.00 WT1 O ATOM 4170 H1 TIP3W2301 15.044 8.276 10.758 1.00 0.00 WT1 H ATOM 4171 H2 TIP3W2301 15.147 8.996 12.115 1.00 0.00 WT1 H ATOM 4172 OH2 TIP3W2309 18.579 8.571 -17.425 1.00 0.00 WT1 O ATOM 4173 H1 TIP3W2309 19.283 9.098 -17.042 1.00 0.00 WT1 H ATOM 4174 H2 TIP3W2309 18.000 8.429 -16.702 1.00 0.00 WT1 H ATOM 4175 OH2 TIP3W2311 19.001 12.387 -12.744 1.00 0.00 WT1 O ATOM 4176 H1 TIP3W2311 19.472 12.942 -13.409 1.00 0.00 WT1 H ATOM 4177 H2 TIP3W2311 18.131 12.820 -12.681 1.00 0.00 WT1 H ATOM 4178 OH2 TIP3W2313 32.618 6.321 -10.593 1.00 0.00 WT1 O ATOM 4179 H1 TIP3W2313 32.874 5.395 -10.878 1.00 0.00 WT1 H ATOM 4180 H2 TIP3W2313 32.435 6.221 -9.654 1.00 0.00 WT1 H ATOM 4181 OH2 TIP3W2316 16.583 3.994 -11.390 1.00 0.00 WT1 O ATOM 4182 H1 TIP3W2316 16.694 3.042 -11.584 1.00 0.00 WT1 H ATOM 4183 H2 TIP3W2316 17.463 4.284 -11.293 1.00 0.00 WT1 H ATOM 4184 OH2 TIP3W2317 8.069 11.823 -6.651 1.00 0.00 WT1 O ATOM 4185 H1 TIP3W2317 7.862 12.116 -5.735 1.00 0.00 WT1 H ATOM 4186 H2 TIP3W2317 7.172 11.891 -7.054 1.00 0.00 WT1 H ATOM 4187 OH2 TIP3W2318 14.599 22.606 -19.501 1.00 0.00 WT1 O ATOM 4188 H1 TIP3W2318 14.657 23.512 -19.776 1.00 0.00 WT1 H ATOM 4189 H2 TIP3W2318 15.499 22.434 -19.239 1.00 0.00 WT1 H ATOM 4190 OH2 TIP3W2321 12.977 24.471 8.958 1.00 0.00 WT1 O ATOM 4191 H1 TIP3W2321 12.624 23.773 8.293 1.00 0.00 WT1 H ATOM 4192 H2 TIP3W2321 12.257 24.458 9.636 1.00 0.00 WT1 H ATOM 4193 OH2 TIP3W2324 8.840 15.861 18.025 1.00 0.00 WT1 O ATOM 4194 H1 TIP3W2324 8.454 15.257 18.709 1.00 0.00 WT1 H ATOM 4195 H2 TIP3W2324 8.205 15.713 17.349 1.00 0.00 WT1 H ATOM 4196 OH2 TIP3W2325 26.051 15.636 18.292 1.00 0.00 WT1 O ATOM 4197 H1 TIP3W2325 26.948 15.786 18.091 1.00 0.00 WT1 H ATOM 4198 H2 TIP3W2325 25.724 15.121 17.531 1.00 0.00 WT1 H ATOM 4199 OH2 TIP3W2326 17.855 11.194 14.374 1.00 0.00 WT1 O ATOM 4200 H1 TIP3W2326 17.825 11.590 15.261 1.00 0.00 WT1 H ATOM 4201 H2 TIP3W2326 18.511 10.443 14.453 1.00 0.00 WT1 H ATOM 4202 OH2 TIP3W2327 8.392 23.225 16.701 1.00 0.00 WT1 O ATOM 4203 H1 TIP3W2327 8.673 22.258 16.597 1.00 0.00 WT1 H ATOM 4204 H2 TIP3W2327 7.450 23.140 16.903 1.00 0.00 WT1 H ATOM 4205 OH2 TIP3W2329 29.885 15.329 -19.852 1.00 0.00 WT1 O ATOM 4206 H1 TIP3W2329 29.754 14.877 -18.974 1.00 0.00 WT1 H ATOM 4207 H2 TIP3W2329 30.074 14.532 -20.439 1.00 0.00 WT1 H ATOM 4208 OH2 TIP3W2331 31.427 11.974 -14.669 1.00 0.00 WT1 O ATOM 4209 H1 TIP3W2331 31.324 11.912 -13.715 1.00 0.00 WT1 H ATOM 4210 H2 TIP3W2331 32.204 11.443 -14.857 1.00 0.00 WT1 H ATOM 4211 OH2 TIP3W2335 11.629 13.002 -6.779 1.00 0.00 WT1 O ATOM 4212 H1 TIP3W2335 11.943 13.889 -7.052 1.00 0.00 WT1 H ATOM 4213 H2 TIP3W2335 12.012 12.873 -5.861 1.00 0.00 WT1 H ATOM 4214 OH2 TIP3W2336 27.897 32.062 -16.218 1.00 0.00 WT1 O ATOM 4215 H1 TIP3W2336 27.260 31.796 -16.879 1.00 0.00 WT1 H ATOM 4216 H2 TIP3W2336 27.770 33.051 -16.123 1.00 0.00 WT1 H ATOM 4217 OH2 TIP3W2341 18.746 19.938 20.677 1.00 0.00 WT1 O ATOM 4218 H1 TIP3W2341 18.372 20.033 19.762 1.00 0.00 WT1 H ATOM 4219 H2 TIP3W2341 17.993 20.223 21.230 1.00 0.00 WT1 H ATOM 4220 OH2 TIP3W2343 37.401 39.383 2.042 1.00 0.00 WT1 O ATOM 4221 H1 TIP3W2343 36.654 38.968 1.599 1.00 0.00 WT1 H ATOM 4222 H2 TIP3W2343 37.888 39.684 1.278 1.00 0.00 WT1 H ATOM 4223 OH2 TIP3W2351 21.600 17.862 -19.435 1.00 0.00 WT1 O ATOM 4224 H1 TIP3W2351 21.881 16.983 -19.722 1.00 0.00 WT1 H ATOM 4225 H2 TIP3W2351 21.558 17.815 -18.448 1.00 0.00 WT1 H ATOM 4226 OH2 TIP3W2352 23.076 22.357 -17.810 1.00 0.00 WT1 O ATOM 4227 H1 TIP3W2352 23.295 21.577 -18.337 1.00 0.00 WT1 H ATOM 4228 H2 TIP3W2352 22.746 21.972 -17.012 1.00 0.00 WT1 H ATOM 4229 OH2 TIP3W2354 21.173 29.880 -14.451 1.00 0.00 WT1 O ATOM 4230 H1 TIP3W2354 21.389 30.842 -14.523 1.00 0.00 WT1 H ATOM 4231 H2 TIP3W2354 22.021 29.431 -14.575 1.00 0.00 WT1 H ATOM 4232 OH2 TIP3W2355 23.376 15.038 -14.997 1.00 0.00 WT1 O ATOM 4233 H1 TIP3W2355 22.610 15.500 -14.605 1.00 0.00 WT1 H ATOM 4234 H2 TIP3W2355 23.054 14.862 -15.911 1.00 0.00 WT1 H ATOM 4235 OH2 TIP3W2357 7.427 10.389 -11.724 1.00 0.00 WT1 O ATOM 4236 H1 TIP3W2357 7.800 11.066 -12.271 1.00 0.00 WT1 H ATOM 4237 H2 TIP3W2357 8.247 10.153 -11.255 1.00 0.00 WT1 H ATOM 4238 OH2 TIP3W2358 4.859 14.963 -11.428 1.00 0.00 WT1 O ATOM 4239 H1 TIP3W2358 5.602 14.892 -10.778 1.00 0.00 WT1 H ATOM 4240 H2 TIP3W2358 4.975 15.853 -11.822 1.00 0.00 WT1 H ATOM 4241 OH2 TIP3W2362 21.933 3.533 7.225 1.00 0.00 WT1 O ATOM 4242 H1 TIP3W2362 22.774 3.157 7.530 1.00 0.00 WT1 H ATOM 4243 H2 TIP3W2362 21.528 4.093 7.987 1.00 0.00 WT1 H ATOM 4244 OH2 TIP3W2363 31.016 11.980 15.322 1.00 0.00 WT1 O ATOM 4245 H1 TIP3W2363 31.538 12.449 14.678 1.00 0.00 WT1 H ATOM 4246 H2 TIP3W2363 31.363 11.086 15.251 1.00 0.00 WT1 H ATOM 4247 OH2 TIP3W2368 30.152 14.216 20.293 1.00 0.00 WT1 O ATOM 4248 H1 TIP3W2368 29.520 13.904 19.693 1.00 0.00 WT1 H ATOM 4249 H2 TIP3W2368 29.775 15.129 20.472 1.00 0.00 WT1 H ATOM 4250 OH2 TIP3W2376 21.246 24.609 -17.843 1.00 0.00 WT1 O ATOM 4251 H1 TIP3W2376 20.862 24.085 -17.178 1.00 0.00 WT1 H ATOM 4252 H2 TIP3W2376 22.041 24.094 -18.110 1.00 0.00 WT1 H ATOM 4253 OH2 TIP3W2377 21.657 5.464 -9.084 1.00 0.00 WT1 O ATOM 4254 H1 TIP3W2377 21.345 5.851 -9.863 1.00 0.00 WT1 H ATOM 4255 H2 TIP3W2377 21.998 4.617 -9.408 1.00 0.00 WT1 H ATOM 4256 OH2 TIP3W2380 20.121 13.859 -14.594 1.00 0.00 WT1 O ATOM 4257 H1 TIP3W2380 19.924 13.539 -15.485 1.00 0.00 WT1 H ATOM 4258 H2 TIP3W2380 20.334 14.768 -14.807 1.00 0.00 WT1 H ATOM 4259 OH2 TIP3W2384 19.788 23.612 19.577 1.00 0.00 WT1 O ATOM 4260 H1 TIP3W2384 20.236 23.066 20.240 1.00 0.00 WT1 H ATOM 4261 H2 TIP3W2384 20.463 23.598 18.869 1.00 0.00 WT1 H ATOM 4262 OH2 TIP3W2385 17.503 33.487 8.404 1.00 0.00 WT1 O ATOM 4263 H1 TIP3W2385 17.522 32.723 7.879 1.00 0.00 WT1 H ATOM 4264 H2 TIP3W2385 17.712 34.152 7.765 1.00 0.00 WT1 H ATOM 4265 OH2 TIP3W2395 9.358 45.649 -21.022 1.00 0.00 WT1 O ATOM 4266 H1 TIP3W2395 10.276 45.702 -20.702 1.00 0.00 WT1 H ATOM 4267 H2 TIP3W2395 9.202 44.710 -21.071 1.00 0.00 WT1 H ATOM 4268 OH2 TIP3W2397 11.604 28.906 -17.362 1.00 0.00 WT1 O ATOM 4269 H1 TIP3W2397 11.852 29.632 -16.880 1.00 0.00 WT1 H ATOM 4270 H2 TIP3W2397 12.430 28.384 -17.379 1.00 0.00 WT1 H ATOM 4271 OH2 TIP3W2405 9.047 25.468 7.459 1.00 0.00 WT1 O ATOM 4272 H1 TIP3W2405 8.300 26.082 7.457 1.00 0.00 WT1 H ATOM 4273 H2 TIP3W2405 9.827 26.037 7.315 1.00 0.00 WT1 H ATOM 4274 OH2 TIP3W2406 22.809 16.566 12.265 1.00 0.00 WT1 O ATOM 4275 H1 TIP3W2406 23.351 16.099 12.954 1.00 0.00 WT1 H ATOM 4276 H2 TIP3W2406 22.846 15.959 11.525 1.00 0.00 WT1 H ATOM 4277 OH2 TIP3W2416 36.396 35.214 -10.755 1.00 0.00 WT1 O ATOM 4278 H1 TIP3W2416 36.010 34.458 -10.215 1.00 0.00 WT1 H ATOM 4279 H2 TIP3W2416 35.703 35.337 -11.455 1.00 0.00 WT1 H ATOM 4280 OH2 TIP3W2417 17.786 43.390 -15.865 1.00 0.00 WT1 O ATOM 4281 H1 TIP3W2417 18.162 42.701 -15.326 1.00 0.00 WT1 H ATOM 4282 H2 TIP3W2417 18.237 43.353 -16.712 1.00 0.00 WT1 H ATOM 4283 OH2 TIP3W2419 23.455 30.890 -19.745 1.00 0.00 WT1 O ATOM 4284 H1 TIP3W2419 23.298 29.957 -19.812 1.00 0.00 WT1 H ATOM 4285 H2 TIP3W2419 22.562 31.239 -19.461 1.00 0.00 WT1 H ATOM 4286 OH2 TIP3W2424 31.755 35.103 14.325 1.00 0.00 WT1 O ATOM 4287 H1 TIP3W2424 31.537 35.895 14.809 1.00 0.00 WT1 H ATOM 4288 H2 TIP3W2424 31.034 34.489 14.651 1.00 0.00 WT1 H ATOM 4289 OH2 TIP3W2425 17.705 42.510 7.442 1.00 0.00 WT1 O ATOM 4290 H1 TIP3W2425 17.704 41.900 8.181 1.00 0.00 WT1 H ATOM 4291 H2 TIP3W2425 17.317 41.971 6.679 1.00 0.00 WT1 H ATOM 4292 OH2 TIP3W2427 36.102 23.638 15.607 1.00 0.00 WT1 O ATOM 4293 H1 TIP3W2427 36.527 24.245 16.203 1.00 0.00 WT1 H ATOM 4294 H2 TIP3W2427 36.446 22.786 15.952 1.00 0.00 WT1 H ATOM 4295 OH2 TIP3W2428 26.688 43.786 17.198 1.00 0.00 WT1 O ATOM 4296 H1 TIP3W2428 26.771 42.869 16.929 1.00 0.00 WT1 H ATOM 4297 H2 TIP3W2428 27.637 44.106 17.125 1.00 0.00 WT1 H ATOM 4298 OH2 TIP3W2430 9.541 31.941 20.620 1.00 0.00 WT1 O ATOM 4299 H1 TIP3W2430 10.324 31.343 20.868 1.00 0.00 WT1 H ATOM 4300 H2 TIP3W2430 9.092 31.377 19.923 1.00 0.00 WT1 H ATOM 4301 OH2 TIP3W2436 20.729 29.949 -17.367 1.00 0.00 WT1 O ATOM 4302 H1 TIP3W2436 20.813 30.331 -16.510 1.00 0.00 WT1 H ATOM 4303 H2 TIP3W2436 20.647 28.994 -17.220 1.00 0.00 WT1 H ATOM 4304 OH2 TIP3W2441 15.221 44.050 -14.299 1.00 0.00 WT1 O ATOM 4305 H1 TIP3W2441 16.097 44.027 -14.743 1.00 0.00 WT1 H ATOM 4306 H2 TIP3W2441 14.662 43.542 -14.892 1.00 0.00 WT1 H ATOM 4307 OH2 TIP3W2446 26.528 36.606 21.698 1.00 0.00 WT1 O ATOM 4308 H1 TIP3W2446 26.957 35.969 22.323 1.00 0.00 WT1 H ATOM 4309 H2 TIP3W2446 27.061 36.375 20.846 1.00 0.00 WT1 H ATOM 4310 OH2 TIP3W2448 31.664 42.222 21.435 1.00 0.00 WT1 O ATOM 4311 H1 TIP3W2448 31.407 42.290 22.368 1.00 0.00 WT1 H ATOM 4312 H2 TIP3W2448 31.189 42.996 21.030 1.00 0.00 WT1 H ATOM 4313 OH2 TIP3W2449 20.692 18.487 15.619 1.00 0.00 WT1 O ATOM 4314 H1 TIP3W2449 20.497 17.634 15.161 1.00 0.00 WT1 H ATOM 4315 H2 TIP3W2449 20.759 18.249 16.535 1.00 0.00 WT1 H ATOM 4316 OH2 TIP3W2450 24.797 35.179 16.513 1.00 0.00 WT1 O ATOM 4317 H1 TIP3W2450 24.852 34.929 15.544 1.00 0.00 WT1 H ATOM 4318 H2 TIP3W2450 24.231 35.976 16.434 1.00 0.00 WT1 H ATOM 4319 OH2 TIP3W2458 29.263 35.638 -18.879 1.00 0.00 WT1 O ATOM 4320 H1 TIP3W2458 29.925 35.537 -19.592 1.00 0.00 WT1 H ATOM 4321 H2 TIP3W2458 28.455 35.086 -19.227 1.00 0.00 WT1 H ATOM 4322 OH2 TIP3W2460 27.702 34.719 -16.473 1.00 0.00 WT1 O ATOM 4323 H1 TIP3W2460 26.764 34.823 -16.760 1.00 0.00 WT1 H ATOM 4324 H2 TIP3W2460 28.083 35.166 -17.237 1.00 0.00 WT1 H ATOM 4325 OH2 TIP3W2462 5.411 43.247 1.388 1.00 0.00 WT1 O ATOM 4326 H1 TIP3W2462 6.150 43.121 1.977 1.00 0.00 WT1 H ATOM 4327 H2 TIP3W2462 5.278 44.239 1.451 1.00 0.00 WT1 H ATOM 4328 OH2 TIP3W2466 27.745 35.569 16.989 1.00 0.00 WT1 O ATOM 4329 H1 TIP3W2466 26.881 35.364 16.647 1.00 0.00 WT1 H ATOM 4330 H2 TIP3W2466 28.254 35.369 16.224 1.00 0.00 WT1 H ATOM 4331 OH2 TIP3W2467 19.911 36.486 12.055 1.00 0.00 WT1 O ATOM 4332 H1 TIP3W2467 19.957 36.435 11.098 1.00 0.00 WT1 H ATOM 4333 H2 TIP3W2467 20.273 37.380 12.200 1.00 0.00 WT1 H ATOM 4334 OH2 TIP3W2471 6.620 37.822 21.264 1.00 0.00 WT1 O ATOM 4335 H1 TIP3W2471 6.966 37.112 21.807 1.00 0.00 WT1 H ATOM 4336 H2 TIP3W2471 5.735 37.536 20.992 1.00 0.00 WT1 H ATOM 4337 OH2 TIP3W2473 23.974 25.477 19.969 1.00 0.00 WT1 O ATOM 4338 H1 TIP3W2473 23.881 25.528 19.036 1.00 0.00 WT1 H ATOM 4339 H2 TIP3W2473 24.022 24.536 20.185 1.00 0.00 WT1 H ATOM 4340 OH2 TIP3W2479 16.991 32.264 1.218 1.00 0.00 WT1 O ATOM 4341 H1 TIP3W2479 16.824 32.061 0.283 1.00 0.00 WT1 H ATOM 4342 H2 TIP3W2479 16.347 31.697 1.648 1.00 0.00 WT1 H ATOM 4343 OH2 TIP3W2482 12.283 36.027 -20.956 1.00 0.00 WT1 O ATOM 4344 H1 TIP3W2482 12.265 36.531 -20.094 1.00 0.00 WT1 H ATOM 4345 H2 TIP3W2482 11.445 36.302 -21.403 1.00 0.00 WT1 H ATOM 4346 OH2 TIP3W2485 28.627 33.360 20.687 1.00 0.00 WT1 O ATOM 4347 H1 TIP3W2485 28.963 32.802 19.996 1.00 0.00 WT1 H ATOM 4348 H2 TIP3W2485 29.043 33.069 21.460 1.00 0.00 WT1 H ATOM 4349 OH2 TIP3W2486 27.813 44.136 11.392 1.00 0.00 WT1 O ATOM 4350 H1 TIP3W2486 28.325 43.399 11.461 1.00 0.00 WT1 H ATOM 4351 H2 TIP3W2486 28.421 44.757 11.050 1.00 0.00 WT1 H ATOM 4352 OH2 TIP3W2487 16.179 44.799 6.711 1.00 0.00 WT1 O ATOM 4353 H1 TIP3W2487 15.412 44.289 6.838 1.00 0.00 WT1 H ATOM 4354 H2 TIP3W2487 16.929 44.218 6.654 1.00 0.00 WT1 H ATOM 4355 OH2 TIP3W2488 17.194 37.702 11.410 1.00 0.00 WT1 O ATOM 4356 H1 TIP3W2488 16.696 36.976 10.929 1.00 0.00 WT1 H ATOM 4357 H2 TIP3W2488 17.939 37.345 11.863 1.00 0.00 WT1 H ATOM 4358 OH2 TIP3W2489 19.258 41.400 12.224 1.00 0.00 WT1 O ATOM 4359 H1 TIP3W2489 18.846 41.480 13.093 1.00 0.00 WT1 H ATOM 4360 H2 TIP3W2489 19.522 40.463 12.283 1.00 0.00 WT1 H ATOM 4361 OH2 TIP3W2492 23.076 37.646 15.984 1.00 0.00 WT1 O ATOM 4362 H1 TIP3W2492 22.128 37.457 16.187 1.00 0.00 WT1 H ATOM 4363 H2 TIP3W2492 23.268 38.367 16.559 1.00 0.00 WT1 H ATOM 4364 OH2 TIP3W2494 30.965 49.059 3.355 1.00 0.00 WT1 O ATOM 4365 H1 TIP3W2494 31.324 48.306 3.980 1.00 0.00 WT1 H ATOM 4366 H2 TIP3W2494 30.954 49.866 3.893 1.00 0.00 WT1 H ATOM 4367 OH2 TIP3W2500 6.466 40.391 -5.982 1.00 0.00 WT1 O ATOM 4368 H1 TIP3W2500 5.980 40.387 -5.125 1.00 0.00 WT1 H ATOM 4369 H2 TIP3W2500 7.223 39.765 -5.866 1.00 0.00 WT1 H ATOM 4370 OH2 TIP3W2501 39.051 37.249 1.197 1.00 0.00 WT1 O ATOM 4371 H1 TIP3W2501 39.147 37.386 0.256 1.00 0.00 WT1 H ATOM 4372 H2 TIP3W2501 38.158 37.562 1.384 1.00 0.00 WT1 H ATOM 4373 OH2 TIP3W2504 34.137 40.726 13.826 1.00 0.00 WT1 O ATOM 4374 H1 TIP3W2504 33.750 40.069 13.273 1.00 0.00 WT1 H ATOM 4375 H2 TIP3W2504 35.061 40.652 13.519 1.00 0.00 WT1 H ATOM 4376 OH2 TIP3W2508 15.514 28.703 -2.350 1.00 0.00 WT1 O ATOM 4377 H1 TIP3W2508 15.532 29.647 -2.061 1.00 0.00 WT1 H ATOM 4378 H2 TIP3W2508 15.537 28.238 -1.486 1.00 0.00 WT1 H ATOM 4379 OH2 TIP3W2509 42.211 42.602 6.497 1.00 0.00 WT1 O ATOM 4380 H1 TIP3W2509 41.433 42.884 5.968 1.00 0.00 WT1 H ATOM 4381 H2 TIP3W2509 42.964 43.193 6.342 1.00 0.00 WT1 H ATOM 4382 OH2 TIP3W2511 13.364 41.692 9.087 1.00 0.00 WT1 O ATOM 4383 H1 TIP3W2511 13.513 42.395 8.340 1.00 0.00 WT1 H ATOM 4384 H2 TIP3W2511 12.777 41.112 8.677 1.00 0.00 WT1 H ATOM 4385 OH2 TIP3W2512 21.137 42.119 10.136 1.00 0.00 WT1 O ATOM 4386 H1 TIP3W2512 20.647 42.805 9.711 1.00 0.00 WT1 H ATOM 4387 H2 TIP3W2512 20.511 41.818 10.783 1.00 0.00 WT1 H ATOM 4388 OH2 TIP3W2513 25.793 25.242 22.084 1.00 0.00 WT1 O ATOM 4389 H1 TIP3W2513 24.997 25.317 21.536 1.00 0.00 WT1 H ATOM 4390 H2 TIP3W2513 25.967 26.189 22.360 1.00 0.00 WT1 H ATOM 4391 OH2 TIP3W2515 20.528 41.390 15.828 1.00 0.00 WT1 O ATOM 4392 H1 TIP3W2515 21.104 41.911 15.270 1.00 0.00 WT1 H ATOM 4393 H2 TIP3W2515 20.824 41.587 16.757 1.00 0.00 WT1 H ATOM 4394 OH2 TIP3W2519 10.653 39.772 -14.080 1.00 0.00 WT1 O ATOM 4395 H1 TIP3W2519 10.002 40.251 -13.528 1.00 0.00 WT1 H ATOM 4396 H2 TIP3W2519 11.515 39.763 -13.585 1.00 0.00 WT1 H ATOM 4397 OH2 TIP3W2521 9.303 44.368 -7.156 1.00 0.00 WT1 O ATOM 4398 H1 TIP3W2521 9.455 45.230 -6.793 1.00 0.00 WT1 H ATOM 4399 H2 TIP3W2521 8.376 44.112 -6.864 1.00 0.00 WT1 H ATOM 4400 OH2 TIP3W2526 17.346 47.084 -11.905 1.00 0.00 WT1 O ATOM 4401 H1 TIP3W2526 18.222 47.397 -11.674 1.00 0.00 WT1 H ATOM 4402 H2 TIP3W2526 17.128 46.608 -11.057 1.00 0.00 WT1 H ATOM 4403 OH2 TIP3W2529 13.568 50.769 -8.150 1.00 0.00 WT1 O ATOM 4404 H1 TIP3W2529 14.468 50.845 -8.460 1.00 0.00 WT1 H ATOM 4405 H2 TIP3W2529 13.694 50.546 -7.193 1.00 0.00 WT1 H ATOM 4406 OH2 TIP3W2531 31.819 46.453 13.991 1.00 0.00 WT1 O ATOM 4407 H1 TIP3W2531 32.174 46.246 14.809 1.00 0.00 WT1 H ATOM 4408 H2 TIP3W2531 31.492 45.621 13.711 1.00 0.00 WT1 H ATOM 4409 OH2 TIP3W2540 15.847 43.333 -19.680 1.00 0.00 WT1 O ATOM 4410 H1 TIP3W2540 15.259 43.722 -20.314 1.00 0.00 WT1 H ATOM 4411 H2 TIP3W2540 16.657 43.453 -20.101 1.00 0.00 WT1 H ATOM 4412 OH2 TIP3W2541 12.606 33.363 -15.986 1.00 0.00 WT1 O ATOM 4413 H1 TIP3W2541 11.938 33.272 -16.680 1.00 0.00 WT1 H ATOM 4414 H2 TIP3W2541 13.222 34.057 -16.307 1.00 0.00 WT1 H ATOM 4415 OH2 TIP3W2545 29.727 49.040 -5.966 1.00 0.00 WT1 O ATOM 4416 H1 TIP3W2545 29.940 49.917 -6.362 1.00 0.00 WT1 H ATOM 4417 H2 TIP3W2545 29.185 49.201 -5.172 1.00 0.00 WT1 H ATOM 4418 OH2 TIP3W2551 27.622 46.574 5.585 1.00 0.00 WT1 O ATOM 4419 H1 TIP3W2551 28.185 45.728 5.518 1.00 0.00 WT1 H ATOM 4420 H2 TIP3W2551 27.769 46.937 6.506 1.00 0.00 WT1 H ATOM 4421 OH2 TIP3W2552 13.507 49.220 16.156 1.00 0.00 WT1 O ATOM 4422 H1 TIP3W2552 13.957 49.594 16.847 1.00 0.00 WT1 H ATOM 4423 H2 TIP3W2552 12.824 48.608 16.564 1.00 0.00 WT1 H ATOM 4424 OH2 TIP3W2562 27.302 42.409 -21.246 1.00 0.00 WT1 O ATOM 4425 H1 TIP3W2562 26.992 43.324 -21.596 1.00 0.00 WT1 H ATOM 4426 H2 TIP3W2562 27.732 42.644 -20.416 1.00 0.00 WT1 H ATOM 4427 OH2 TIP3W2563 22.460 40.849 -17.751 1.00 0.00 WT1 O ATOM 4428 H1 TIP3W2563 22.143 40.140 -18.294 1.00 0.00 WT1 H ATOM 4429 H2 TIP3W2563 21.614 41.362 -17.597 1.00 0.00 WT1 H ATOM 4430 OH2 TIP3W2565 27.328 49.337 -15.463 1.00 0.00 WT1 O ATOM 4431 H1 TIP3W2565 27.640 50.138 -15.949 1.00 0.00 WT1 H ATOM 4432 H2 TIP3W2565 27.025 49.763 -14.614 1.00 0.00 WT1 H ATOM 4433 OH2 TIP3W2582 17.615 35.538 -21.022 1.00 0.00 WT1 O ATOM 4434 H1 TIP3W2582 16.659 35.647 -21.199 1.00 0.00 WT1 H ATOM 4435 H2 TIP3W2582 18.043 36.361 -21.251 1.00 0.00 WT1 H ATOM 4436 OH2 TIP3W2584 17.327 46.199 -14.832 1.00 0.00 WT1 O ATOM 4437 H1 TIP3W2584 18.042 45.592 -15.121 1.00 0.00 WT1 H ATOM 4438 H2 TIP3W2584 17.707 46.707 -14.126 1.00 0.00 WT1 H ATOM 4439 OH2 TIP3W2587 29.410 4.313 0.085 1.00 0.00 WT1 O ATOM 4440 H1 TIP3W2587 29.754 3.658 -0.609 1.00 0.00 WT1 H ATOM 4441 H2 TIP3W2587 30.031 4.146 0.802 1.00 0.00 WT1 H ATOM 4442 OH2 TIP3W2588 12.759 49.829 -0.287 1.00 0.00 WT1 O ATOM 4443 H1 TIP3W2588 12.500 50.510 0.405 1.00 0.00 WT1 H ATOM 4444 H2 TIP3W2588 12.457 50.272 -1.032 1.00 0.00 WT1 H ATOM 4445 OH2 TIP3W2589 9.793 48.350 -3.415 1.00 0.00 WT1 O ATOM 4446 H1 TIP3W2589 10.584 47.769 -3.384 1.00 0.00 WT1 H ATOM 4447 H2 TIP3W2589 10.283 49.229 -3.442 1.00 0.00 WT1 H ATOM 4448 OH2 TIP3W2591 13.825 -0.819 8.533 1.00 0.00 WT1 O ATOM 4449 H1 TIP3W2591 14.317 -1.187 7.802 1.00 0.00 WT1 H ATOM 4450 H2 TIP3W2591 14.620 -0.394 9.070 1.00 0.00 WT1 H ATOM 4451 OH2 TIP3W2598 12.632 37.237 20.090 1.00 0.00 WT1 O ATOM 4452 H1 TIP3W2598 12.084 37.636 19.414 1.00 0.00 WT1 H ATOM 4453 H2 TIP3W2598 12.291 37.515 20.918 1.00 0.00 WT1 H ATOM 4454 OH2 TIP3W2606 22.637 -1.055 -10.336 1.00 0.00 WT1 O ATOM 4455 H1 TIP3W2606 23.135 -1.289 -9.500 1.00 0.00 WT1 H ATOM 4456 H2 TIP3W2606 22.713 -0.064 -10.414 1.00 0.00 WT1 H ATOM 4457 OH2 TIP3W2607 14.360 4.175 -16.036 1.00 0.00 WT1 O ATOM 4458 H1 TIP3W2607 14.465 5.124 -16.238 1.00 0.00 WT1 H ATOM 4459 H2 TIP3W2607 15.107 3.959 -15.485 1.00 0.00 WT1 H ATOM 4460 OH2 TIP3W2608 12.191 2.088 -16.094 1.00 0.00 WT1 O ATOM 4461 H1 TIP3W2608 12.860 2.795 -15.982 1.00 0.00 WT1 H ATOM 4462 H2 TIP3W2608 11.380 2.404 -15.625 1.00 0.00 WT1 H ATOM 4463 OH2 TIP3W2612 18.100 50.772 0.726 1.00 0.00 WT1 O ATOM 4464 H1 TIP3W2612 18.251 50.893 1.661 1.00 0.00 WT1 H ATOM 4465 H2 TIP3W2612 18.896 50.617 0.353 1.00 0.00 WT1 H ATOM 4466 OH2 TIP3W2613 23.975 46.694 3.710 1.00 0.00 WT1 O ATOM 4467 H1 TIP3W2613 24.163 45.771 3.374 1.00 0.00 WT1 H ATOM 4468 H2 TIP3W2613 23.835 46.502 4.651 1.00 0.00 WT1 H ATOM 4469 OH2 TIP3W2628 30.472 8.097 -11.738 1.00 0.00 WT1 O ATOM 4470 H1 TIP3W2628 30.289 7.203 -11.460 1.00 0.00 WT1 H ATOM 4471 H2 TIP3W2628 29.604 8.593 -11.512 1.00 0.00 WT1 H ATOM 4472 OH2 TIP3W2634 12.869 2.085 -10.259 1.00 0.00 WT1 O ATOM 4473 H1 TIP3W2634 12.745 2.868 -9.639 1.00 0.00 WT1 H ATOM 4474 H2 TIP3W2634 12.265 1.469 -9.842 1.00 0.00 WT1 H ATOM 4475 OH2 TIP3W2635 37.544 -0.073 -0.040 1.00 0.00 WT1 O ATOM 4476 H1 TIP3W2635 38.271 -0.428 -0.503 1.00 0.00 WT1 H ATOM 4477 H2 TIP3W2635 37.159 0.522 -0.714 1.00 0.00 WT1 H ATOM 4478 OH2 TIP3W2644 9.693 9.620 18.448 1.00 0.00 WT1 O ATOM 4479 H1 TIP3W2644 9.013 9.032 18.090 1.00 0.00 WT1 H ATOM 4480 H2 TIP3W2644 9.131 10.416 18.595 1.00 0.00 WT1 H ATOM 4481 OH2 TIP3W2649 34.083 8.195 -12.030 1.00 0.00 WT1 O ATOM 4482 H1 TIP3W2649 33.572 7.824 -11.320 1.00 0.00 WT1 H ATOM 4483 H2 TIP3W2649 33.570 9.011 -12.217 1.00 0.00 WT1 H ATOM 4484 OH2 TIP3W2650 29.979 2.271 -12.760 1.00 0.00 WT1 O ATOM 4485 H1 TIP3W2650 30.147 1.335 -12.905 1.00 0.00 WT1 H ATOM 4486 H2 TIP3W2650 30.449 2.485 -11.939 1.00 0.00 WT1 H ATOM 4487 OH2 TIP3W2654 31.514 8.247 -14.218 1.00 0.00 WT1 O ATOM 4488 H1 TIP3W2654 31.953 8.966 -13.774 1.00 0.00 WT1 H ATOM 4489 H2 TIP3W2654 31.076 7.823 -13.468 1.00 0.00 WT1 H ATOM 4490 OH2 TIP3W2656 10.342 14.913 5.128 1.00 0.00 WT1 O ATOM 4491 H1 TIP3W2656 9.429 14.739 5.152 1.00 0.00 WT1 H ATOM 4492 H2 TIP3W2656 10.421 15.135 4.189 1.00 0.00 WT1 H ATOM 4493 OH2 TIP3W2657 21.024 3.581 12.535 1.00 0.00 WT1 O ATOM 4494 H1 TIP3W2657 21.003 2.659 12.706 1.00 0.00 WT1 H ATOM 4495 H2 TIP3W2657 21.441 3.570 11.669 1.00 0.00 WT1 H ATOM 4496 OH2 TIP3W2659 21.234 7.556 15.774 1.00 0.00 WT1 O ATOM 4497 H1 TIP3W2659 21.828 7.203 16.544 1.00 0.00 WT1 H ATOM 4498 H2 TIP3W2659 21.145 6.790 15.165 1.00 0.00 WT1 H ATOM 4499 OH2 TIP3W2662 24.419 4.167 17.985 1.00 0.00 WT1 O ATOM 4500 H1 TIP3W2662 25.380 3.937 17.906 1.00 0.00 WT1 H ATOM 4501 H2 TIP3W2662 24.065 3.709 17.257 1.00 0.00 WT1 H ATOM 4502 OH2 TIP3W2667 37.261 4.224 -2.385 1.00 0.00 WT1 O ATOM 4503 H1 TIP3W2667 36.514 4.507 -1.806 1.00 0.00 WT1 H ATOM 4504 H2 TIP3W2667 37.042 4.418 -3.345 1.00 0.00 WT1 H ATOM 4505 OH2 TIP3W2669 17.349 9.081 -10.017 1.00 0.00 WT1 O ATOM 4506 H1 TIP3W2669 18.135 9.159 -10.512 1.00 0.00 WT1 H ATOM 4507 H2 TIP3W2669 17.193 10.043 -9.878 1.00 0.00 WT1 H ATOM 4508 OH2 TIP3W2670 31.994 8.272 -5.706 1.00 0.00 WT1 O ATOM 4509 H1 TIP3W2670 31.592 7.359 -5.581 1.00 0.00 WT1 H ATOM 4510 H2 TIP3W2670 31.557 8.814 -5.023 1.00 0.00 WT1 H ATOM 4511 OH2 TIP3W2672 39.608 9.560 -5.793 1.00 0.00 WT1 O ATOM 4512 H1 TIP3W2672 39.605 10.293 -6.340 1.00 0.00 WT1 H ATOM 4513 H2 TIP3W2672 38.594 9.309 -5.706 1.00 0.00 WT1 H ATOM 4514 OH2 TIP3W2673 22.499 3.152 -2.945 1.00 0.00 WT1 O ATOM 4515 H1 TIP3W2673 21.902 3.342 -2.203 1.00 0.00 WT1 H ATOM 4516 H2 TIP3W2673 22.772 3.999 -3.276 1.00 0.00 WT1 H ATOM 4517 OH2 TIP3W2674 38.246 0.400 -3.916 1.00 0.00 WT1 O ATOM 4518 H1 TIP3W2674 38.298 0.998 -4.695 1.00 0.00 WT1 H ATOM 4519 H2 TIP3W2674 37.490 -0.232 -4.063 1.00 0.00 WT1 H ATOM 4520 OH2 TIP3W2675 17.897 0.422 5.196 1.00 0.00 WT1 O ATOM 4521 H1 TIP3W2675 18.421 0.341 4.348 1.00 0.00 WT1 H ATOM 4522 H2 TIP3W2675 18.006 -0.465 5.586 1.00 0.00 WT1 H ATOM 4523 OH2 TIP3W2676 30.084 2.454 -1.798 1.00 0.00 WT1 O ATOM 4524 H1 TIP3W2676 29.905 1.566 -1.414 1.00 0.00 WT1 H ATOM 4525 H2 TIP3W2676 30.183 2.207 -2.792 1.00 0.00 WT1 H ATOM 4526 OH2 TIP3W2677 15.570 11.809 3.717 1.00 0.00 WT1 O ATOM 4527 H1 TIP3W2677 15.375 12.571 4.196 1.00 0.00 WT1 H ATOM 4528 H2 TIP3W2677 15.963 11.160 4.381 1.00 0.00 WT1 H ATOM 4529 OH2 TIP3W2680 24.641 6.141 14.176 1.00 0.00 WT1 O ATOM 4530 H1 TIP3W2680 23.714 6.309 13.943 1.00 0.00 WT1 H ATOM 4531 H2 TIP3W2680 25.107 5.821 13.377 1.00 0.00 WT1 H ATOM 4532 OH2 TIP3W2681 18.886 3.691 21.221 1.00 0.00 WT1 O ATOM 4533 H1 TIP3W2681 18.609 2.827 20.791 1.00 0.00 WT1 H ATOM 4534 H2 TIP3W2681 19.569 3.999 20.659 1.00 0.00 WT1 H ATOM 4535 OH2 TIP3W2682 23.389 13.958 18.706 1.00 0.00 WT1 O ATOM 4536 H1 TIP3W2682 23.604 13.802 17.803 1.00 0.00 WT1 H ATOM 4537 H2 TIP3W2682 23.482 14.913 18.899 1.00 0.00 WT1 H ATOM 4538 OH2 TIP3W2683 24.369 -0.459 13.960 1.00 0.00 WT1 O ATOM 4539 H1 TIP3W2683 24.005 -0.590 14.839 1.00 0.00 WT1 H ATOM 4540 H2 TIP3W2683 23.765 -1.005 13.458 1.00 0.00 WT1 H ATOM 4541 OH2 TIP3W2684 10.359 0.296 18.682 1.00 0.00 WT1 O ATOM 4542 H1 TIP3W2684 10.441 0.987 19.305 1.00 0.00 WT1 H ATOM 4543 H2 TIP3W2684 10.904 0.518 17.987 1.00 0.00 WT1 H ATOM 4544 OH2 TIP3W2689 25.819 3.500 -15.473 1.00 0.00 WT1 O ATOM 4545 H1 TIP3W2689 25.980 4.402 -15.516 1.00 0.00 WT1 H ATOM 4546 H2 TIP3W2689 26.508 3.157 -14.830 1.00 0.00 WT1 H ATOM 4547 OH2 TIP3W2690 27.523 3.811 -12.966 1.00 0.00 WT1 O ATOM 4548 H1 TIP3W2690 28.360 3.244 -12.679 1.00 0.00 WT1 H ATOM 4549 H2 TIP3W2690 27.770 4.656 -12.620 1.00 0.00 WT1 H ATOM 4550 OH2 TIP3W2691 19.626 2.546 -6.761 1.00 0.00 WT1 O ATOM 4551 H1 TIP3W2691 19.663 2.835 -7.729 1.00 0.00 WT1 H ATOM 4552 H2 TIP3W2691 18.895 3.103 -6.334 1.00 0.00 WT1 H ATOM 4553 OH2 TIP3W2692 29.906 5.303 -11.463 1.00 0.00 WT1 O ATOM 4554 H1 TIP3W2692 30.666 4.711 -11.700 1.00 0.00 WT1 H ATOM 4555 H2 TIP3W2692 29.804 5.121 -10.503 1.00 0.00 WT1 H ATOM 4556 OH2 TIP3W2693 21.361 0.060 8.739 1.00 0.00 WT1 O ATOM 4557 H1 TIP3W2693 21.796 0.290 7.874 1.00 0.00 WT1 H ATOM 4558 H2 TIP3W2693 20.588 -0.503 8.443 1.00 0.00 WT1 H ATOM 4559 OH2 TIP3W2694 12.710 4.122 -8.237 1.00 0.00 WT1 O ATOM 4560 H1 TIP3W2694 13.380 3.810 -7.609 1.00 0.00 WT1 H ATOM 4561 H2 TIP3W2694 12.049 4.515 -7.631 1.00 0.00 WT1 H ATOM 4562 OH2 TIP3W2695 37.394 7.332 -7.484 1.00 0.00 WT1 O ATOM 4563 H1 TIP3W2695 37.043 8.114 -7.043 1.00 0.00 WT1 H ATOM 4564 H2 TIP3W2695 36.582 6.827 -7.671 1.00 0.00 WT1 H ATOM 4565 OH2 TIP3W2698 47.883 13.419 17.975 1.00 0.00 WT1 O ATOM 4566 H1 TIP3W2698 47.914 14.043 18.778 1.00 0.00 WT1 H ATOM 4567 H2 TIP3W2698 47.116 13.583 17.595 1.00 0.00 WT1 H ATOM 4568 OH2 TIP3W2703 28.859 5.578 13.944 1.00 0.00 WT1 O ATOM 4569 H1 TIP3W2703 28.107 5.015 13.535 1.00 0.00 WT1 H ATOM 4570 H2 TIP3W2703 28.981 5.146 14.827 1.00 0.00 WT1 H ATOM 4571 OH2 TIP3W2709 23.564 19.852 -19.136 1.00 0.00 WT1 O ATOM 4572 H1 TIP3W2709 24.229 19.331 -18.653 1.00 0.00 WT1 H ATOM 4573 H2 TIP3W2709 22.991 19.199 -19.470 1.00 0.00 WT1 H ATOM 4574 OH2 TIP3W2710 35.958 14.808 -20.556 1.00 0.00 WT1 O ATOM 4575 H1 TIP3W2710 35.704 15.700 -20.165 1.00 0.00 WT1 H ATOM 4576 H2 TIP3W2710 35.246 14.213 -20.276 1.00 0.00 WT1 H ATOM 4577 OH2 TIP3W2713 20.424 18.593 -12.946 1.00 0.00 WT1 O ATOM 4578 H1 TIP3W2713 20.542 19.533 -13.185 1.00 0.00 WT1 H ATOM 4579 H2 TIP3W2713 19.567 18.485 -12.494 1.00 0.00 WT1 H ATOM 4580 OH2 TIP3W2714 8.591 19.731 -2.728 1.00 0.00 WT1 O ATOM 4581 H1 TIP3W2714 9.467 19.628 -2.413 1.00 0.00 WT1 H ATOM 4582 H2 TIP3W2714 8.479 20.680 -2.890 1.00 0.00 WT1 H ATOM 4583 OH2 TIP3W2715 25.815 6.768 -15.649 1.00 0.00 WT1 O ATOM 4584 H1 TIP3W2715 26.119 7.641 -15.475 1.00 0.00 WT1 H ATOM 4585 H2 TIP3W2715 25.638 6.819 -16.597 1.00 0.00 WT1 H ATOM 4586 OH2 TIP3W2720 21.854 5.823 13.634 1.00 0.00 WT1 O ATOM 4587 H1 TIP3W2720 21.393 6.487 13.143 1.00 0.00 WT1 H ATOM 4588 H2 TIP3W2720 21.491 4.994 13.243 1.00 0.00 WT1 H ATOM 4589 OH2 TIP3W2721 32.896 9.827 14.885 1.00 0.00 WT1 O ATOM 4590 H1 TIP3W2721 33.852 9.941 15.203 1.00 0.00 WT1 H ATOM 4591 H2 TIP3W2721 33.002 9.191 14.173 1.00 0.00 WT1 H ATOM 4592 OH2 TIP3W2722 37.567 2.355 18.425 1.00 0.00 WT1 O ATOM 4593 H1 TIP3W2722 36.721 2.051 18.816 1.00 0.00 WT1 H ATOM 4594 H2 TIP3W2722 38.033 2.549 19.246 1.00 0.00 WT1 H ATOM 4595 OH2 TIP3W2723 17.707 12.160 22.178 1.00 0.00 WT1 O ATOM 4596 H1 TIP3W2723 17.976 12.202 21.279 1.00 0.00 WT1 H ATOM 4597 H2 TIP3W2723 16.791 12.413 22.093 1.00 0.00 WT1 H ATOM 4598 OH2 TIP3W2724 15.697 9.754 19.787 1.00 0.00 WT1 O ATOM 4599 H1 TIP3W2724 14.993 9.082 19.838 1.00 0.00 WT1 H ATOM 4600 H2 TIP3W2724 16.315 9.395 20.415 1.00 0.00 WT1 H ATOM 4601 OH2 TIP3W2732 18.180 6.044 -9.607 1.00 0.00 WT1 O ATOM 4602 H1 TIP3W2732 17.519 6.643 -9.161 1.00 0.00 WT1 H ATOM 4603 H2 TIP3W2732 18.767 6.599 -10.135 1.00 0.00 WT1 H ATOM 4604 OH2 TIP3W2734 24.798 11.743 -15.150 1.00 0.00 WT1 O ATOM 4605 H1 TIP3W2734 23.944 11.267 -14.863 1.00 0.00 WT1 H ATOM 4606 H2 TIP3W2734 24.998 12.304 -14.344 1.00 0.00 WT1 H ATOM 4607 OH2 TIP3W2735 17.910 15.817 -11.796 1.00 0.00 WT1 O ATOM 4608 H1 TIP3W2735 17.566 14.955 -11.687 1.00 0.00 WT1 H ATOM 4609 H2 TIP3W2735 17.926 15.907 -12.747 1.00 0.00 WT1 H ATOM 4610 OH2 TIP3W2736 33.511 10.204 -14.040 1.00 0.00 WT1 O ATOM 4611 H1 TIP3W2736 34.184 10.884 -13.917 1.00 0.00 WT1 H ATOM 4612 H2 TIP3W2736 33.697 9.917 -14.984 1.00 0.00 WT1 H ATOM 4613 OH2 TIP3W2746 23.231 13.010 21.835 1.00 0.00 WT1 O ATOM 4614 H1 TIP3W2746 22.230 12.768 21.778 1.00 0.00 WT1 H ATOM 4615 H2 TIP3W2746 23.460 13.025 20.911 1.00 0.00 WT1 H ATOM 4616 OH2 TIP3W2753 24.616 25.545 -15.657 1.00 0.00 WT1 O ATOM 4617 H1 TIP3W2753 23.739 25.880 -15.537 1.00 0.00 WT1 H ATOM 4618 H2 TIP3W2753 25.148 26.364 -15.775 1.00 0.00 WT1 H ATOM 4619 OH2 TIP3W2754 29.210 9.474 -7.931 1.00 0.00 WT1 O ATOM 4620 H1 TIP3W2754 28.705 9.581 -8.758 1.00 0.00 WT1 H ATOM 4621 H2 TIP3W2754 30.148 9.357 -8.173 1.00 0.00 WT1 H ATOM 4622 OH2 TIP3W2755 10.958 24.979 -2.786 1.00 0.00 WT1 O ATOM 4623 H1 TIP3W2755 11.354 25.737 -2.293 1.00 0.00 WT1 H ATOM 4624 H2 TIP3W2755 11.300 25.100 -3.643 1.00 0.00 WT1 H ATOM 4625 OH2 TIP3W2761 40.780 6.879 13.175 1.00 0.00 WT1 O ATOM 4626 H1 TIP3W2761 40.494 6.925 12.203 1.00 0.00 WT1 H ATOM 4627 H2 TIP3W2761 41.737 7.039 13.177 1.00 0.00 WT1 H ATOM 4628 OH2 TIP3W2762 23.091 19.793 20.507 1.00 0.00 WT1 O ATOM 4629 H1 TIP3W2762 22.726 20.437 21.116 1.00 0.00 WT1 H ATOM 4630 H2 TIP3W2762 22.412 19.159 20.449 1.00 0.00 WT1 H ATOM 4631 OH2 TIP3W2767 10.663 30.920 17.467 1.00 0.00 WT1 O ATOM 4632 H1 TIP3W2767 10.760 30.508 16.621 1.00 0.00 WT1 H ATOM 4633 H2 TIP3W2767 9.702 30.716 17.625 1.00 0.00 WT1 H ATOM 4634 OH2 TIP3W2771 28.225 14.773 -17.573 1.00 0.00 WT1 O ATOM 4635 H1 TIP3W2771 28.668 14.506 -16.729 1.00 0.00 WT1 H ATOM 4636 H2 TIP3W2771 28.254 13.916 -18.026 1.00 0.00 WT1 H ATOM 4637 OH2 TIP3W2775 33.987 7.324 -17.346 1.00 0.00 WT1 O ATOM 4638 H1 TIP3W2775 33.329 7.996 -17.136 1.00 0.00 WT1 H ATOM 4639 H2 TIP3W2775 34.198 6.963 -16.493 1.00 0.00 WT1 H ATOM 4640 OH2 TIP3W2778 19.775 6.525 -3.980 1.00 0.00 WT1 O ATOM 4641 H1 TIP3W2778 19.460 6.549 -4.862 1.00 0.00 WT1 H ATOM 4642 H2 TIP3W2778 19.016 6.133 -3.488 1.00 0.00 WT1 H ATOM 4643 OH2 TIP3W2779 13.466 10.884 2.172 1.00 0.00 WT1 O ATOM 4644 H1 TIP3W2779 13.176 10.455 3.077 1.00 0.00 WT1 H ATOM 4645 H2 TIP3W2779 14.396 11.051 2.299 1.00 0.00 WT1 H ATOM 4646 OH2 TIP3W2780 8.457 22.665 6.858 1.00 0.00 WT1 O ATOM 4647 H1 TIP3W2780 8.835 23.519 7.166 1.00 0.00 WT1 H ATOM 4648 H2 TIP3W2780 7.643 22.610 7.319 1.00 0.00 WT1 H ATOM 4649 OH2 TIP3W2781 6.217 36.948 -11.632 1.00 0.00 WT1 O ATOM 4650 H1 TIP3W2781 6.617 36.060 -11.526 1.00 0.00 WT1 H ATOM 4651 H2 TIP3W2781 6.058 37.219 -10.720 1.00 0.00 WT1 H ATOM 4652 OH2 TIP3W2783 33.729 25.112 17.316 1.00 0.00 WT1 O ATOM 4653 H1 TIP3W2783 33.273 25.138 16.436 1.00 0.00 WT1 H ATOM 4654 H2 TIP3W2783 34.595 25.424 17.113 1.00 0.00 WT1 H ATOM 4655 OH2 TIP3W2785 22.185 24.795 22.071 1.00 0.00 WT1 O ATOM 4656 H1 TIP3W2785 22.312 25.287 21.234 1.00 0.00 WT1 H ATOM 4657 H2 TIP3W2785 21.188 24.929 22.290 1.00 0.00 WT1 H ATOM 4658 OH2 TIP3W2790 23.812 30.528 19.665 1.00 0.00 WT1 O ATOM 4659 H1 TIP3W2790 24.469 29.802 19.556 1.00 0.00 WT1 H ATOM 4660 H2 TIP3W2790 23.981 31.101 18.916 1.00 0.00 WT1 H ATOM 4661 OH2 TIP3W2794 26.352 9.339 -15.318 1.00 0.00 WT1 O ATOM 4662 H1 TIP3W2794 27.072 9.736 -14.730 1.00 0.00 WT1 H ATOM 4663 H2 TIP3W2794 25.689 10.071 -15.448 1.00 0.00 WT1 H ATOM 4664 OH2 TIP3W2802 7.071 33.431 -4.458 1.00 0.00 WT1 O ATOM 4665 H1 TIP3W2802 6.461 32.908 -3.912 1.00 0.00 WT1 H ATOM 4666 H2 TIP3W2802 6.958 33.061 -5.295 1.00 0.00 WT1 H ATOM 4667 OH2 TIP3W2815 24.705 8.140 -10.160 1.00 0.00 WT1 O ATOM 4668 H1 TIP3W2815 25.328 7.459 -9.938 1.00 0.00 WT1 H ATOM 4669 H2 TIP3W2815 25.035 8.883 -9.692 1.00 0.00 WT1 H ATOM 4670 OH2 TIP3W2820 48.394 12.691 -6.138 1.00 0.00 WT1 O ATOM 4671 H1 TIP3W2820 47.721 12.132 -5.688 1.00 0.00 WT1 H ATOM 4672 H2 TIP3W2820 48.794 13.169 -5.388 1.00 0.00 WT1 H ATOM 4673 OH2 TIP3W2823 41.466 37.354 -1.407 1.00 0.00 WT1 O ATOM 4674 H1 TIP3W2823 40.926 36.701 -1.837 1.00 0.00 WT1 H ATOM 4675 H2 TIP3W2823 41.913 37.739 -2.197 1.00 0.00 WT1 H ATOM 4676 OH2 TIP3W2824 12.563 12.653 13.024 1.00 0.00 WT1 O ATOM 4677 H1 TIP3W2824 11.639 12.433 12.924 1.00 0.00 WT1 H ATOM 4678 H2 TIP3W2824 12.596 13.241 13.857 1.00 0.00 WT1 H ATOM 4679 OH2 TIP3W2826 20.158 17.675 21.383 1.00 0.00 WT1 O ATOM 4680 H1 TIP3W2826 20.284 17.462 20.485 1.00 0.00 WT1 H ATOM 4681 H2 TIP3W2826 19.496 18.372 21.302 1.00 0.00 WT1 H ATOM 4682 OH2 TIP3W2829 30.908 21.204 20.154 1.00 0.00 WT1 O ATOM 4683 H1 TIP3W2829 30.851 22.010 19.657 1.00 0.00 WT1 H ATOM 4684 H2 TIP3W2829 30.024 20.744 20.091 1.00 0.00 WT1 H ATOM 4685 OH2 TIP3W2830 35.809 24.319 21.741 1.00 0.00 WT1 O ATOM 4686 H1 TIP3W2830 35.630 23.600 21.104 1.00 0.00 WT1 H ATOM 4687 H2 TIP3W2830 35.573 25.148 21.298 1.00 0.00 WT1 H ATOM 4688 OH2 TIP3W2831 18.194 29.150 20.669 1.00 0.00 WT1 O ATOM 4689 H1 TIP3W2831 18.893 28.685 21.179 1.00 0.00 WT1 H ATOM 4690 H2 TIP3W2831 18.739 29.785 20.155 1.00 0.00 WT1 H ATOM 4691 OH2 TIP3W2838 22.959 43.917 -19.139 1.00 0.00 WT1 O ATOM 4692 H1 TIP3W2838 22.483 44.191 -18.281 1.00 0.00 WT1 H ATOM 4693 H2 TIP3W2838 22.586 44.411 -19.864 1.00 0.00 WT1 H ATOM 4694 OH2 TIP3W2844 12.258 26.574 15.651 1.00 0.00 WT1 O ATOM 4695 H1 TIP3W2844 12.196 25.959 14.899 1.00 0.00 WT1 H ATOM 4696 H2 TIP3W2844 12.925 27.205 15.475 1.00 0.00 WT1 H ATOM 4697 OH2 TIP3W2846 17.287 17.353 21.247 1.00 0.00 WT1 O ATOM 4698 H1 TIP3W2846 17.064 17.615 20.284 1.00 0.00 WT1 H ATOM 4699 H2 TIP3W2846 17.296 18.200 21.753 1.00 0.00 WT1 H ATOM 4700 OH2 TIP3W2847 29.178 22.962 21.891 1.00 0.00 WT1 O ATOM 4701 H1 TIP3W2847 28.363 22.522 21.686 1.00 0.00 WT1 H ATOM 4702 H2 TIP3W2847 29.758 22.260 22.240 1.00 0.00 WT1 H ATOM 4703 OH2 TIP3W2848 26.844 36.570 13.570 1.00 0.00 WT1 O ATOM 4704 H1 TIP3W2848 25.854 36.520 13.484 1.00 0.00 WT1 H ATOM 4705 H2 TIP3W2848 26.990 37.280 14.236 1.00 0.00 WT1 H ATOM 4706 OH2 TIP3W2853 20.087 30.749 19.487 1.00 0.00 WT1 O ATOM 4707 H1 TIP3W2853 20.472 30.982 18.637 1.00 0.00 WT1 H ATOM 4708 H2 TIP3W2853 20.563 31.336 20.129 1.00 0.00 WT1 H ATOM 4709 OH2 TIP3W2859 17.834 30.080 -17.044 1.00 0.00 WT1 O ATOM 4710 H1 TIP3W2859 18.612 30.583 -17.364 1.00 0.00 WT1 H ATOM 4711 H2 TIP3W2859 17.100 30.380 -17.532 1.00 0.00 WT1 H ATOM 4712 OH2 TIP3W2877 29.167 27.201 -20.055 1.00 0.00 WT1 O ATOM 4713 H1 TIP3W2877 28.296 27.486 -20.482 1.00 0.00 WT1 H ATOM 4714 H2 TIP3W2877 29.469 28.111 -19.680 1.00 0.00 WT1 H ATOM 4715 OH2 TIP3W2878 26.172 26.254 -20.100 1.00 0.00 WT1 O ATOM 4716 H1 TIP3W2878 26.221 27.261 -20.081 1.00 0.00 WT1 H ATOM 4717 H2 TIP3W2878 25.287 26.025 -19.809 1.00 0.00 WT1 H ATOM 4718 OH2 TIP3W2887 20.098 50.060 13.175 1.00 0.00 WT1 O ATOM 4719 H1 TIP3W2887 19.916 49.521 12.433 1.00 0.00 WT1 H ATOM 4720 H2 TIP3W2887 19.292 50.678 13.149 1.00 0.00 WT1 H ATOM 4721 OH2 TIP3W2888 37.266 38.551 15.854 1.00 0.00 WT1 O ATOM 4722 H1 TIP3W2888 37.190 39.351 15.329 1.00 0.00 WT1 H ATOM 4723 H2 TIP3W2888 38.141 38.319 15.693 1.00 0.00 WT1 H ATOM 4724 OH2 TIP3W2890 12.683 41.488 18.200 1.00 0.00 WT1 O ATOM 4725 H1 TIP3W2890 11.949 41.887 17.654 1.00 0.00 WT1 H ATOM 4726 H2 TIP3W2890 12.311 41.662 19.096 1.00 0.00 WT1 H ATOM 4727 OH2 TIP3W2891 17.601 38.084 8.798 1.00 0.00 WT1 O ATOM 4728 H1 TIP3W2891 17.826 38.053 9.732 1.00 0.00 WT1 H ATOM 4729 H2 TIP3W2891 17.184 38.963 8.663 1.00 0.00 WT1 H ATOM 4730 OH2 TIP3W2893 29.339 37.598 15.900 1.00 0.00 WT1 O ATOM 4731 H1 TIP3W2893 29.808 37.512 16.748 1.00 0.00 WT1 H ATOM 4732 H2 TIP3W2893 28.456 37.441 16.139 1.00 0.00 WT1 H ATOM 4733 OH2 TIP3W2899 12.448 47.512 -2.724 1.00 0.00 WT1 O ATOM 4734 H1 TIP3W2899 12.753 47.400 -1.837 1.00 0.00 WT1 H ATOM 4735 H2 TIP3W2899 12.567 46.596 -3.173 1.00 0.00 WT1 H ATOM 4736 OH2 TIP3W2900 34.734 42.948 -15.969 1.00 0.00 WT1 O ATOM 4737 H1 TIP3W2900 35.482 42.434 -15.579 1.00 0.00 WT1 H ATOM 4738 H2 TIP3W2900 34.844 42.812 -16.951 1.00 0.00 WT1 H ATOM 4739 OH2 TIP3W2901 10.196 41.828 -5.985 1.00 0.00 WT1 O ATOM 4740 H1 TIP3W2901 10.431 42.191 -6.835 1.00 0.00 WT1 H ATOM 4741 H2 TIP3W2901 9.799 42.520 -5.506 1.00 0.00 WT1 H ATOM 4742 OH2 TIP3W2902 45.281 48.145 -8.855 1.00 0.00 WT1 O ATOM 4743 H1 TIP3W2902 44.994 47.990 -8.000 1.00 0.00 WT1 H ATOM 4744 H2 TIP3W2902 44.552 48.662 -9.175 1.00 0.00 WT1 H ATOM 4745 OH2 TIP3W2903 9.865 30.019 -19.170 1.00 0.00 WT1 O ATOM 4746 H1 TIP3W2903 10.268 30.869 -19.077 1.00 0.00 WT1 H ATOM 4747 H2 TIP3W2903 10.346 29.466 -18.579 1.00 0.00 WT1 H ATOM 4748 OH2 TIP3W2906 8.343 36.692 9.853 1.00 0.00 WT1 O ATOM 4749 H1 TIP3W2906 8.099 37.600 9.887 1.00 0.00 WT1 H ATOM 4750 H2 TIP3W2906 8.922 36.740 9.100 1.00 0.00 WT1 H ATOM 4751 OH2 TIP3W2908 28.227 47.638 -7.862 1.00 0.00 WT1 O ATOM 4752 H1 TIP3W2908 28.736 47.820 -8.707 1.00 0.00 WT1 H ATOM 4753 H2 TIP3W2908 28.816 47.887 -7.105 1.00 0.00 WT1 H ATOM 4754 OH2 TIP3W2909 18.718 37.565 14.928 1.00 0.00 WT1 O ATOM 4755 H1 TIP3W2909 18.106 38.277 14.712 1.00 0.00 WT1 H ATOM 4756 H2 TIP3W2909 18.142 36.801 14.904 1.00 0.00 WT1 H ATOM 4757 OH2 TIP3W2911 34.084 31.322 20.420 1.00 0.00 WT1 O ATOM 4758 H1 TIP3W2911 34.498 30.937 19.660 1.00 0.00 WT1 H ATOM 4759 H2 TIP3W2911 33.522 30.603 20.711 1.00 0.00 WT1 H ATOM 4760 OH2 TIP3W2913 17.715 16.618 18.388 1.00 0.00 WT1 O ATOM 4761 H1 TIP3W2913 17.262 15.838 18.167 1.00 0.00 WT1 H ATOM 4762 H2 TIP3W2913 18.610 16.512 18.017 1.00 0.00 WT1 H ATOM 4763 OH2 TIP3W2919 27.823 30.738 -20.238 1.00 0.00 WT1 O ATOM 4764 H1 TIP3W2919 27.167 30.344 -20.914 1.00 0.00 WT1 H ATOM 4765 H2 TIP3W2919 28.709 30.347 -20.490 1.00 0.00 WT1 H ATOM 4766 OH2 TIP3W2922 15.824 30.805 -5.051 1.00 0.00 WT1 O ATOM 4767 H1 TIP3W2922 15.217 30.265 -5.544 1.00 0.00 WT1 H ATOM 4768 H2 TIP3W2922 16.697 30.394 -5.068 1.00 0.00 WT1 H ATOM 4769 OH2 TIP3W2929 45.673 44.577 18.448 1.00 0.00 WT1 O ATOM 4770 H1 TIP3W2929 44.768 44.289 18.329 1.00 0.00 WT1 H ATOM 4771 H2 TIP3W2929 46.044 44.110 17.710 1.00 0.00 WT1 H ATOM 4772 OH2 TIP3W2930 27.649 38.359 11.567 1.00 0.00 WT1 O ATOM 4773 H1 TIP3W2930 28.392 38.119 10.958 1.00 0.00 WT1 H ATOM 4774 H2 TIP3W2930 27.425 37.460 11.986 1.00 0.00 WT1 H ATOM 4775 OH2 TIP3W2932 26.317 45.141 8.045 1.00 0.00 WT1 O ATOM 4776 H1 TIP3W2932 26.190 44.154 8.310 1.00 0.00 WT1 H ATOM 4777 H2 TIP3W2932 25.569 45.259 7.492 1.00 0.00 WT1 H ATOM 4778 OH2 TIP3W2933 19.936 45.423 19.622 1.00 0.00 WT1 O ATOM 4779 H1 TIP3W2933 20.321 45.035 20.462 1.00 0.00 WT1 H ATOM 4780 H2 TIP3W2933 20.567 45.192 18.945 1.00 0.00 WT1 H ATOM 4781 OH2 TIP3W2934 36.119 44.105 14.391 1.00 0.00 WT1 O ATOM 4782 H1 TIP3W2934 36.613 44.956 14.701 1.00 0.00 WT1 H ATOM 4783 H2 TIP3W2934 35.509 44.456 13.721 1.00 0.00 WT1 H ATOM 4784 OH2 TIP3W2938 34.747 49.143 -20.520 1.00 0.00 WT1 O ATOM 4785 H1 TIP3W2938 34.480 50.054 -20.643 1.00 0.00 WT1 H ATOM 4786 H2 TIP3W2938 35.545 49.072 -21.125 1.00 0.00 WT1 H ATOM 4787 OH2 TIP3W2941 37.033 37.058 -8.329 1.00 0.00 WT1 O ATOM 4788 H1 TIP3W2941 36.286 37.160 -8.921 1.00 0.00 WT1 H ATOM 4789 H2 TIP3W2941 37.539 36.383 -8.785 1.00 0.00 WT1 H ATOM 4790 OH2 TIP3W2946 34.830 42.815 -2.594 1.00 0.00 WT1 O ATOM 4791 H1 TIP3W2946 35.101 42.479 -3.441 1.00 0.00 WT1 H ATOM 4792 H2 TIP3W2946 33.899 43.013 -2.740 1.00 0.00 WT1 H ATOM 4793 OH2 TIP3W2947 26.802 47.935 3.079 1.00 0.00 WT1 O ATOM 4794 H1 TIP3W2947 26.981 47.559 3.930 1.00 0.00 WT1 H ATOM 4795 H2 TIP3W2947 26.158 48.642 3.139 1.00 0.00 WT1 H ATOM 4796 OH2 TIP3W2948 32.928 48.427 19.769 1.00 0.00 WT1 O ATOM 4797 H1 TIP3W2948 32.477 49.133 20.298 1.00 0.00 WT1 H ATOM 4798 H2 TIP3W2948 33.771 48.809 19.452 1.00 0.00 WT1 H ATOM 4799 OH2 TIP3W2949 21.056 50.020 17.150 1.00 0.00 WT1 O ATOM 4800 H1 TIP3W2949 21.908 49.716 16.877 1.00 0.00 WT1 H ATOM 4801 H2 TIP3W2949 20.939 49.545 17.986 1.00 0.00 WT1 H ATOM 4802 OH2 TIP3W2952 13.207 45.248 20.512 1.00 0.00 WT1 O ATOM 4803 H1 TIP3W2952 12.212 45.412 20.689 1.00 0.00 WT1 H ATOM 4804 H2 TIP3W2952 13.307 44.954 19.536 1.00 0.00 WT1 H ATOM 4805 OH2 TIP3W2953 29.576 46.542 11.425 1.00 0.00 WT1 O ATOM 4806 H1 TIP3W2953 29.556 47.215 12.086 1.00 0.00 WT1 H ATOM 4807 H2 TIP3W2953 29.106 46.909 10.660 1.00 0.00 WT1 H ATOM 4808 OH2 TIP3W2955 30.596 47.890 22.133 1.00 0.00 WT1 O ATOM 4809 H1 TIP3W2955 30.238 47.122 22.637 1.00 0.00 WT1 H ATOM 4810 H2 TIP3W2955 30.267 47.767 21.204 1.00 0.00 WT1 H ATOM 4811 OH2 TIP3W2960 25.684 44.083 -18.721 1.00 0.00 WT1 O ATOM 4812 H1 TIP3W2960 26.031 45.004 -18.769 1.00 0.00 WT1 H ATOM 4813 H2 TIP3W2960 24.742 44.271 -18.923 1.00 0.00 WT1 H ATOM 4814 OH2 TIP3W2961 18.859 46.090 -17.794 1.00 0.00 WT1 O ATOM 4815 H1 TIP3W2961 19.135 46.840 -18.296 1.00 0.00 WT1 H ATOM 4816 H2 TIP3W2961 19.369 46.099 -16.916 1.00 0.00 WT1 H ATOM 4817 OH2 TIP3W2965 16.441 41.453 5.041 1.00 0.00 WT1 O ATOM 4818 H1 TIP3W2965 16.489 42.279 4.545 1.00 0.00 WT1 H ATOM 4819 H2 TIP3W2965 15.699 40.980 4.643 1.00 0.00 WT1 H ATOM 4820 OH2 TIP3W2969 30.607 45.660 -4.628 1.00 0.00 WT1 O ATOM 4821 H1 TIP3W2969 31.124 45.285 -3.914 1.00 0.00 WT1 H ATOM 4822 H2 TIP3W2969 30.981 46.556 -4.763 1.00 0.00 WT1 H ATOM 4823 OH2 TIP3W2975 39.972 38.828 14.829 1.00 0.00 WT1 O ATOM 4824 H1 TIP3W2975 40.337 38.547 15.706 1.00 0.00 WT1 H ATOM 4825 H2 TIP3W2975 40.104 39.825 14.885 1.00 0.00 WT1 H ATOM 4826 OH2 TIP3W2983 30.507 44.956 -15.853 1.00 0.00 WT1 O ATOM 4827 H1 TIP3W2983 29.802 45.604 -15.723 1.00 0.00 WT1 H ATOM 4828 H2 TIP3W2983 30.525 44.559 -14.966 1.00 0.00 WT1 H ATOM 4829 OH2 TIP3W2986 21.682 44.383 -16.767 1.00 0.00 WT1 O ATOM 4830 H1 TIP3W2986 22.440 44.292 -16.144 1.00 0.00 WT1 H ATOM 4831 H2 TIP3W2986 21.062 45.032 -16.254 1.00 0.00 WT1 H ATOM 4832 OH2 TIP3W2989 43.431 44.279 -5.780 1.00 0.00 WT1 O ATOM 4833 H1 TIP3W2989 42.719 44.183 -5.118 1.00 0.00 WT1 H ATOM 4834 H2 TIP3W2989 42.941 44.602 -6.545 1.00 0.00 WT1 H ATOM 4835 OH2 TIP3W2992 14.333 47.442 -0.444 1.00 0.00 WT1 O ATOM 4836 H1 TIP3W2992 14.882 47.626 0.298 1.00 0.00 WT1 H ATOM 4837 H2 TIP3W2992 13.828 48.242 -0.496 1.00 0.00 WT1 H ATOM 4838 OH2 TIP3W2994 38.567 42.995 21.984 1.00 0.00 WT1 O ATOM 4839 H1 TIP3W2994 38.075 42.450 22.664 1.00 0.00 WT1 H ATOM 4840 H2 TIP3W2994 39.435 43.148 22.381 1.00 0.00 WT1 H ATOM 4841 OH2 TIP3W3006 27.957 46.060 -4.417 1.00 0.00 WT1 O ATOM 4842 H1 TIP3W3006 28.910 45.933 -4.425 1.00 0.00 WT1 H ATOM 4843 H2 TIP3W3006 27.735 46.260 -3.458 1.00 0.00 WT1 H ATOM 4844 OH2 TIP3W3009 24.375 50.440 -1.253 1.00 0.00 WT1 O ATOM 4845 H1 TIP3W3009 25.383 50.488 -1.154 1.00 0.00 WT1 H ATOM 4846 H2 TIP3W3009 24.234 49.673 -1.810 1.00 0.00 WT1 H ATOM 4847 OH2 TIP3W3010 13.326 2.656 -12.980 1.00 0.00 WT1 O ATOM 4848 H1 TIP3W3010 13.687 3.571 -12.981 1.00 0.00 WT1 H ATOM 4849 H2 TIP3W3010 13.036 2.311 -12.133 1.00 0.00 WT1 H ATOM 4850 OH2 TIP3W3011 26.287 46.449 -6.483 1.00 0.00 WT1 O ATOM 4851 H1 TIP3W3011 26.986 46.126 -5.810 1.00 0.00 WT1 H ATOM 4852 H2 TIP3W3011 26.734 47.029 -7.149 1.00 0.00 WT1 H ATOM 4853 OH2 TIP3W3012 23.765 -0.174 -4.977 1.00 0.00 WT1 O ATOM 4854 H1 TIP3W3012 24.286 0.317 -5.539 1.00 0.00 WT1 H ATOM 4855 H2 TIP3W3012 22.880 0.211 -5.075 1.00 0.00 WT1 H ATOM 4856 OH2 TIP3W3013 25.644 46.903 -21.740 1.00 0.00 WT1 O ATOM 4857 H1 TIP3W3013 26.409 46.218 -21.694 1.00 0.00 WT1 H ATOM 4858 H2 TIP3W3013 25.464 47.044 -20.744 1.00 0.00 WT1 H ATOM 4859 OH2 TIP3W3015 16.733 49.427 12.661 1.00 0.00 WT1 O ATOM 4860 H1 TIP3W3015 16.166 48.720 12.856 1.00 0.00 WT1 H ATOM 4861 H2 TIP3W3015 17.486 49.059 12.165 1.00 0.00 WT1 H ATOM 4862 OH2 TIP3W3016 16.775 3.439 4.470 1.00 0.00 WT1 O ATOM 4863 H1 TIP3W3016 17.040 3.359 3.556 1.00 0.00 WT1 H ATOM 4864 H2 TIP3W3016 17.532 3.144 4.934 1.00 0.00 WT1 H ATOM 4865 OH2 TIP3W3017 36.563 47.351 15.565 1.00 0.00 WT1 O ATOM 4866 H1 TIP3W3017 36.503 46.964 14.634 1.00 0.00 WT1 H ATOM 4867 H2 TIP3W3017 37.538 47.216 15.789 1.00 0.00 WT1 H ATOM 4868 OH2 TIP3W3022 26.116 45.440 19.805 1.00 0.00 WT1 O ATOM 4869 H1 TIP3W3022 26.640 45.174 19.045 1.00 0.00 WT1 H ATOM 4870 H2 TIP3W3022 25.490 44.712 19.927 1.00 0.00 WT1 H ATOM 4871 OH2 TIP3W3027 20.513 0.772 -1.061 1.00 0.00 WT1 O ATOM 4872 H1 TIP3W3027 20.033 0.470 -1.851 1.00 0.00 WT1 H ATOM 4873 H2 TIP3W3027 21.457 0.614 -1.301 1.00 0.00 WT1 H ATOM 4874 OH2 TIP3W3029 9.765 48.088 -12.519 1.00 0.00 WT1 O ATOM 4875 H1 TIP3W3029 9.441 47.843 -11.624 1.00 0.00 WT1 H ATOM 4876 H2 TIP3W3029 9.038 48.504 -12.921 1.00 0.00 WT1 H ATOM 4877 OH2 TIP3W3031 33.504 43.290 12.278 1.00 0.00 WT1 O ATOM 4878 H1 TIP3W3031 33.009 43.263 13.158 1.00 0.00 WT1 H ATOM 4879 H2 TIP3W3031 34.233 42.654 12.491 1.00 0.00 WT1 H ATOM 4880 OH2 TIP3W3033 27.232 3.739 17.302 1.00 0.00 WT1 O ATOM 4881 H1 TIP3W3033 27.529 3.231 16.490 1.00 0.00 WT1 H ATOM 4882 H2 TIP3W3033 26.874 4.523 16.820 1.00 0.00 WT1 H ATOM 4883 OH2 TIP3W3035 23.161 48.978 2.403 1.00 0.00 WT1 O ATOM 4884 H1 TIP3W3035 23.896 49.626 2.521 1.00 0.00 WT1 H ATOM 4885 H2 TIP3W3035 23.576 48.160 2.764 1.00 0.00 WT1 H ATOM 4886 OH2 TIP3W3046 36.693 6.593 -4.403 1.00 0.00 WT1 O ATOM 4887 H1 TIP3W3046 36.243 6.080 -5.171 1.00 0.00 WT1 H ATOM 4888 H2 TIP3W3046 35.976 6.932 -3.875 1.00 0.00 WT1 H ATOM 4889 OH2 TIP3W3048 20.091 46.364 -15.264 1.00 0.00 WT1 O ATOM 4890 H1 TIP3W3048 20.249 45.906 -14.371 1.00 0.00 WT1 H ATOM 4891 H2 TIP3W3048 20.534 47.264 -15.208 1.00 0.00 WT1 H ATOM 4892 OH2 TIP3W3049 23.263 1.520 -8.650 1.00 0.00 WT1 O ATOM 4893 H1 TIP3W3049 23.219 1.956 -7.775 1.00 0.00 WT1 H ATOM 4894 H2 TIP3W3049 23.946 0.910 -8.452 1.00 0.00 WT1 H ATOM 4895 OH2 TIP3W3050 35.204 1.531 -6.450 1.00 0.00 WT1 O ATOM 4896 H1 TIP3W3050 35.017 0.872 -5.797 1.00 0.00 WT1 H ATOM 4897 H2 TIP3W3050 34.958 1.096 -7.305 1.00 0.00 WT1 H ATOM 4898 OH2 TIP3W3053 22.052 0.474 6.108 1.00 0.00 WT1 O ATOM 4899 H1 TIP3W3053 22.683 0.420 5.358 1.00 0.00 WT1 H ATOM 4900 H2 TIP3W3053 21.308 0.969 5.759 1.00 0.00 WT1 H ATOM 4901 OH2 TIP3W3057 21.325 2.997 20.084 1.00 0.00 WT1 O ATOM 4902 H1 TIP3W3057 21.296 3.308 19.158 1.00 0.00 WT1 H ATOM 4903 H2 TIP3W3057 21.854 2.199 19.969 1.00 0.00 WT1 H ATOM 4904 OH2 TIP3W3067 29.370 49.030 -13.363 1.00 0.00 WT1 O ATOM 4905 H1 TIP3W3067 29.604 48.626 -14.182 1.00 0.00 WT1 H ATOM 4906 H2 TIP3W3067 29.204 48.293 -12.724 1.00 0.00 WT1 H ATOM 4907 OH2 TIP3W3072 10.749 3.714 -14.339 1.00 0.00 WT1 O ATOM 4908 H1 TIP3W3072 11.620 3.406 -13.957 1.00 0.00 WT1 H ATOM 4909 H2 TIP3W3072 10.431 4.389 -13.678 1.00 0.00 WT1 H ATOM 4910 OH2 TIP3W3075 29.813 0.993 7.561 1.00 0.00 WT1 O ATOM 4911 H1 TIP3W3075 30.125 1.093 8.471 1.00 0.00 WT1 H ATOM 4912 H2 TIP3W3075 29.580 1.912 7.374 1.00 0.00 WT1 H ATOM 4913 OH2 TIP3W3079 23.482 10.663 19.019 1.00 0.00 WT1 O ATOM 4914 H1 TIP3W3079 23.932 9.801 19.047 1.00 0.00 WT1 H ATOM 4915 H2 TIP3W3079 24.135 11.297 19.348 1.00 0.00 WT1 H ATOM 4916 OH2 TIP3W3081 26.239 11.782 22.020 1.00 0.00 WT1 O ATOM 4917 H1 TIP3W3081 27.126 11.354 21.930 1.00 0.00 WT1 H ATOM 4918 H2 TIP3W3081 26.344 12.610 21.406 1.00 0.00 WT1 H ATOM 4919 OH2 TIP3W3085 28.458 3.039 -20.280 1.00 0.00 WT1 O ATOM 4920 H1 TIP3W3085 27.629 2.511 -20.354 1.00 0.00 WT1 H ATOM 4921 H2 TIP3W3085 29.049 2.425 -19.813 1.00 0.00 WT1 H ATOM 4922 OH2 TIP3W3086 23.703 4.329 -20.109 1.00 0.00 WT1 O ATOM 4923 H1 TIP3W3086 23.312 3.458 -20.076 1.00 0.00 WT1 H ATOM 4924 H2 TIP3W3086 23.626 4.652 -19.208 1.00 0.00 WT1 H ATOM 4925 OH2 TIP3W3087 15.558 48.897 -20.067 1.00 0.00 WT1 O ATOM 4926 H1 TIP3W3087 15.612 48.089 -20.586 1.00 0.00 WT1 H ATOM 4927 H2 TIP3W3087 15.554 48.576 -19.116 1.00 0.00 WT1 H ATOM 4928 OH2 TIP3W3091 22.947 7.560 -17.178 1.00 0.00 WT1 O ATOM 4929 H1 TIP3W3091 22.096 7.191 -17.281 1.00 0.00 WT1 H ATOM 4930 H2 TIP3W3091 22.904 8.503 -17.169 1.00 0.00 WT1 H ATOM 4931 OH2 TIP3W3094 35.949 45.938 -17.525 1.00 0.00 WT1 O ATOM 4932 H1 TIP3W3094 35.143 46.128 -18.063 1.00 0.00 WT1 H ATOM 4933 H2 TIP3W3094 35.793 46.399 -16.703 1.00 0.00 WT1 H ATOM 4934 OH2 TIP3W3096 17.641 3.133 1.622 1.00 0.00 WT1 O ATOM 4935 H1 TIP3W3096 18.625 3.342 1.566 1.00 0.00 WT1 H ATOM 4936 H2 TIP3W3096 17.525 2.248 1.340 1.00 0.00 WT1 H ATOM 4937 OH2 TIP3W3097 32.426 1.012 -0.552 1.00 0.00 WT1 O ATOM 4938 H1 TIP3W3097 33.419 1.010 -0.831 1.00 0.00 WT1 H ATOM 4939 H2 TIP3W3097 31.961 1.200 -1.324 1.00 0.00 WT1 H ATOM 4940 OH2 TIP3W3102 24.885 7.810 19.543 1.00 0.00 WT1 O ATOM 4941 H1 TIP3W3102 24.910 7.904 20.508 1.00 0.00 WT1 H ATOM 4942 H2 TIP3W3102 25.644 7.187 19.439 1.00 0.00 WT1 H ATOM 4943 OH2 TIP3W3104 20.949 13.021 18.057 1.00 0.00 WT1 O ATOM 4944 H1 TIP3W3104 21.168 12.135 17.649 1.00 0.00 WT1 H ATOM 4945 H2 TIP3W3104 21.744 13.157 18.571 1.00 0.00 WT1 H ATOM 4946 OH2 TIP3W3108 22.720 0.543 -13.214 1.00 0.00 WT1 O ATOM 4947 H1 TIP3W3108 22.968 1.485 -13.271 1.00 0.00 WT1 H ATOM 4948 H2 TIP3W3108 23.098 0.137 -14.044 1.00 0.00 WT1 H ATOM 4949 OH2 TIP3W3109 26.945 19.580 -18.892 1.00 0.00 WT1 O ATOM 4950 H1 TIP3W3109 26.501 19.913 -19.720 1.00 0.00 WT1 H ATOM 4951 H2 TIP3W3109 26.278 19.470 -18.241 1.00 0.00 WT1 H ATOM 4952 OH2 TIP3W3111 29.332 13.592 -15.443 1.00 0.00 WT1 O ATOM 4953 H1 TIP3W3111 30.121 13.278 -14.837 1.00 0.00 WT1 H ATOM 4954 H2 TIP3W3111 28.727 12.842 -15.390 1.00 0.00 WT1 H ATOM 4955 OH2 TIP3W3112 31.344 12.140 -9.223 1.00 0.00 WT1 O ATOM 4956 H1 TIP3W3112 30.913 11.962 -8.343 1.00 0.00 WT1 H ATOM 4957 H2 TIP3W3112 31.475 13.117 -9.237 1.00 0.00 WT1 H ATOM 4958 OH2 TIP3W3114 32.195 5.932 -7.882 1.00 0.00 WT1 O ATOM 4959 H1 TIP3W3114 32.165 6.918 -7.779 1.00 0.00 WT1 H ATOM 4960 H2 TIP3W3114 32.044 5.609 -6.969 1.00 0.00 WT1 H ATOM 4961 OH2 TIP3W3115 25.916 8.869 -12.430 1.00 0.00 WT1 O ATOM 4962 H1 TIP3W3115 26.549 8.190 -12.265 1.00 0.00 WT1 H ATOM 4963 H2 TIP3W3115 25.272 8.792 -11.695 1.00 0.00 WT1 H ATOM 4964 OH2 TIP3W3119 33.441 0.836 3.228 1.00 0.00 WT1 O ATOM 4965 H1 TIP3W3119 32.813 1.020 3.956 1.00 0.00 WT1 H ATOM 4966 H2 TIP3W3119 32.836 0.488 2.540 1.00 0.00 WT1 H ATOM 4967 OH2 TIP3W3120 45.223 5.844 20.022 1.00 0.00 WT1 O ATOM 4968 H1 TIP3W3120 46.222 5.679 20.120 1.00 0.00 WT1 H ATOM 4969 H2 TIP3W3120 44.880 5.074 19.608 1.00 0.00 WT1 H ATOM 4970 OH2 TIP3W3121 14.147 3.692 15.814 1.00 0.00 WT1 O ATOM 4971 H1 TIP3W3121 13.945 4.593 15.425 1.00 0.00 WT1 H ATOM 4972 H2 TIP3W3121 15.022 3.547 15.492 1.00 0.00 WT1 H ATOM 4973 OH2 TIP3W3129 28.665 7.107 -19.668 1.00 0.00 WT1 O ATOM 4974 H1 TIP3W3129 29.126 7.533 -20.371 1.00 0.00 WT1 H ATOM 4975 H2 TIP3W3129 28.396 6.206 -19.966 1.00 0.00 WT1 H ATOM 4976 OH2 TIP3W3131 26.955 10.789 -18.666 1.00 0.00 WT1 O ATOM 4977 H1 TIP3W3131 26.273 11.385 -18.295 1.00 0.00 WT1 H ATOM 4978 H2 TIP3W3131 26.570 9.844 -18.479 1.00 0.00 WT1 H ATOM 4979 OH2 TIP3W3134 15.711 20.050 -4.658 1.00 0.00 WT1 O ATOM 4980 H1 TIP3W3134 15.832 20.682 -3.938 1.00 0.00 WT1 H ATOM 4981 H2 TIP3W3134 15.565 19.242 -4.158 1.00 0.00 WT1 H ATOM 4982 OH2 TIP3W3136 15.597 0.005 10.408 1.00 0.00 WT1 O ATOM 4983 H1 TIP3W3136 15.418 -0.596 11.133 1.00 0.00 WT1 H ATOM 4984 H2 TIP3W3136 16.614 -0.018 10.265 1.00 0.00 WT1 H ATOM 4985 OH2 TIP3W3138 42.556 12.247 1.530 1.00 0.00 WT1 O ATOM 4986 H1 TIP3W3138 43.466 12.522 1.216 1.00 0.00 WT1 H ATOM 4987 H2 TIP3W3138 42.138 11.939 0.709 1.00 0.00 WT1 H ATOM 4988 OH2 TIP3W3139 24.216 1.336 7.764 1.00 0.00 WT1 O ATOM 4989 H1 TIP3W3139 24.292 0.572 8.285 1.00 0.00 WT1 H ATOM 4990 H2 TIP3W3139 23.475 1.129 7.130 1.00 0.00 WT1 H ATOM 4991 OH2 TIP3W3140 28.480 0.249 -0.597 1.00 0.00 WT1 O ATOM 4992 H1 TIP3W3140 28.567 0.561 0.303 1.00 0.00 WT1 H ATOM 4993 H2 TIP3W3140 28.578 -0.674 -0.531 1.00 0.00 WT1 H ATOM 4994 OH2 TIP3W3142 30.806 5.129 12.011 1.00 0.00 WT1 O ATOM 4995 H1 TIP3W3142 30.115 4.876 12.686 1.00 0.00 WT1 H ATOM 4996 H2 TIP3W3142 31.685 5.003 12.544 1.00 0.00 WT1 H ATOM 4997 OH2 TIP3W3143 21.904 2.114 17.265 1.00 0.00 WT1 O ATOM 4998 H1 TIP3W3143 20.940 2.153 17.136 1.00 0.00 WT1 H ATOM 4999 H2 TIP3W3143 22.200 2.811 16.683 1.00 0.00 WT1 H ATOM 5000 OH2 TIP3W3150 22.101 10.830 -17.049 1.00 0.00 WT1 O ATOM 5001 H1 TIP3W3150 21.639 11.665 -17.181 1.00 0.00 WT1 H ATOM 5002 H2 TIP3W3150 22.314 10.872 -16.166 1.00 0.00 WT1 H ATOM 5003 OH2 TIP3W3152 26.435 2.032 -11.341 1.00 0.00 WT1 O ATOM 5004 H1 TIP3W3152 25.651 2.535 -10.947 1.00 0.00 WT1 H ATOM 5005 H2 TIP3W3152 26.858 2.797 -11.773 1.00 0.00 WT1 H ATOM 5006 OH2 TIP3W3159 37.762 5.545 22.271 1.00 0.00 WT1 O ATOM 5007 H1 TIP3W3159 38.643 5.380 22.642 1.00 0.00 WT1 H ATOM 5008 H2 TIP3W3159 37.355 4.672 22.435 1.00 0.00 WT1 H ATOM 5009 OH2 TIP3W3160 33.293 13.986 13.763 1.00 0.00 WT1 O ATOM 5010 H1 TIP3W3160 34.042 14.487 13.466 1.00 0.00 WT1 H ATOM 5011 H2 TIP3W3160 32.582 14.624 13.629 1.00 0.00 WT1 H ATOM 5012 OH2 TIP3W3173 16.386 3.215 -8.228 1.00 0.00 WT1 O ATOM 5013 H1 TIP3W3173 16.310 4.092 -8.646 1.00 0.00 WT1 H ATOM 5014 H2 TIP3W3173 16.137 3.405 -7.351 1.00 0.00 WT1 H ATOM 5015 OH2 TIP3W3176 40.831 16.717 -20.683 1.00 0.00 WT1 O ATOM 5016 H1 TIP3W3176 40.806 17.655 -20.693 1.00 0.00 WT1 H ATOM 5017 H2 TIP3W3176 40.125 16.487 -20.127 1.00 0.00 WT1 H ATOM 5018 OH2 TIP3W3177 13.441 -0.355 -5.953 1.00 0.00 WT1 O ATOM 5019 H1 TIP3W3177 14.258 0.033 -6.382 1.00 0.00 WT1 H ATOM 5020 H2 TIP3W3177 13.423 -1.269 -6.330 1.00 0.00 WT1 H ATOM 5021 OH2 TIP3W3184 10.215 14.503 10.997 1.00 0.00 WT1 O ATOM 5022 H1 TIP3W3184 10.283 15.242 11.612 1.00 0.00 WT1 H ATOM 5023 H2 TIP3W3184 9.989 13.731 11.542 1.00 0.00 WT1 H ATOM 5024 OH2 TIP3W3187 35.485 5.275 -9.205 1.00 0.00 WT1 O ATOM 5025 H1 TIP3W3187 35.543 5.698 -10.118 1.00 0.00 WT1 H ATOM 5026 H2 TIP3W3187 34.811 4.544 -9.405 1.00 0.00 WT1 H ATOM 5027 OH2 TIP3W3189 20.871 12.582 13.114 1.00 0.00 WT1 O ATOM 5028 H1 TIP3W3189 20.112 12.915 13.623 1.00 0.00 WT1 H ATOM 5029 H2 TIP3W3189 20.825 11.660 13.171 1.00 0.00 WT1 H ATOM 5030 OH2 TIP3W3192 27.604 15.284 -13.441 1.00 0.00 WT1 O ATOM 5031 H1 TIP3W3192 28.069 16.045 -13.123 1.00 0.00 WT1 H ATOM 5032 H2 TIP3W3192 28.321 14.900 -13.842 1.00 0.00 WT1 H ATOM 5033 OH2 TIP3W3193 43.502 25.635 -7.671 1.00 0.00 WT1 O ATOM 5034 H1 TIP3W3193 43.432 25.020 -8.404 1.00 0.00 WT1 H ATOM 5035 H2 TIP3W3193 43.848 25.031 -6.982 1.00 0.00 WT1 H ATOM 5036 OH2 TIP3W3196 12.004 6.908 -5.107 1.00 0.00 WT1 O ATOM 5037 H1 TIP3W3196 11.633 6.651 -4.286 1.00 0.00 WT1 H ATOM 5038 H2 TIP3W3196 11.301 7.046 -5.722 1.00 0.00 WT1 H ATOM 5039 OH2 TIP3W3199 35.457 34.152 5.898 1.00 0.00 WT1 O ATOM 5040 H1 TIP3W3199 36.269 34.617 5.903 1.00 0.00 WT1 H ATOM 5041 H2 TIP3W3199 35.667 33.235 5.946 1.00 0.00 WT1 H ATOM 5042 OH2 TIP3W3210 26.254 9.141 17.593 1.00 0.00 WT1 O ATOM 5043 H1 TIP3W3210 25.680 8.663 18.180 1.00 0.00 WT1 H ATOM 5044 H2 TIP3W3210 26.376 8.522 16.831 1.00 0.00 WT1 H ATOM 5045 OH2 TIP3W3214 28.957 10.730 -15.319 1.00 0.00 WT1 O ATOM 5046 H1 TIP3W3214 29.063 10.330 -16.155 1.00 0.00 WT1 H ATOM 5047 H2 TIP3W3214 29.827 11.063 -15.131 1.00 0.00 WT1 H ATOM 5048 OH2 TIP3W3221 22.577 20.308 17.222 1.00 0.00 WT1 O ATOM 5049 H1 TIP3W3221 22.913 21.180 17.057 1.00 0.00 WT1 H ATOM 5050 H2 TIP3W3221 23.399 19.721 17.162 1.00 0.00 WT1 H ATOM 5051 OH2 TIP3W3223 9.425 18.390 0.838 1.00 0.00 WT1 O ATOM 5052 H1 TIP3W3223 8.580 18.322 0.298 1.00 0.00 WT1 H ATOM 5053 H2 TIP3W3223 10.110 18.155 0.202 1.00 0.00 WT1 H ATOM 5054 OH2 TIP3W3225 41.903 15.411 15.403 1.00 0.00 WT1 O ATOM 5055 H1 TIP3W3225 41.306 15.755 16.038 1.00 0.00 WT1 H ATOM 5056 H2 TIP3W3225 42.695 15.825 15.587 1.00 0.00 WT1 H ATOM 5057 OH2 TIP3W3228 19.299 26.369 19.716 1.00 0.00 WT1 O ATOM 5058 H1 TIP3W3228 19.051 26.291 20.658 1.00 0.00 WT1 H ATOM 5059 H2 TIP3W3228 19.250 25.434 19.414 1.00 0.00 WT1 H ATOM 5060 OH2 TIP3W3233 32.893 29.394 -18.111 1.00 0.00 WT1 O ATOM 5061 H1 TIP3W3233 32.867 29.478 -17.099 1.00 0.00 WT1 H ATOM 5062 H2 TIP3W3233 33.470 28.637 -18.182 1.00 0.00 WT1 H ATOM 5063 OH2 TIP3W3234 20.628 21.381 -13.239 1.00 0.00 WT1 O ATOM 5064 H1 TIP3W3234 20.342 21.845 -12.450 1.00 0.00 WT1 H ATOM 5065 H2 TIP3W3234 21.596 21.486 -13.212 1.00 0.00 WT1 H ATOM 5066 OH2 TIP3W3240 20.096 26.975 -2.499 1.00 0.00 WT1 O ATOM 5067 H1 TIP3W3240 19.453 27.766 -2.419 1.00 0.00 WT1 H ATOM 5068 H2 TIP3W3240 20.035 26.770 -3.454 1.00 0.00 WT1 H ATOM 5069 OH2 TIP3W3244 23.597 21.160 -13.064 1.00 0.00 WT1 O ATOM 5070 H1 TIP3W3244 24.078 20.861 -13.760 1.00 0.00 WT1 H ATOM 5071 H2 TIP3W3244 23.633 20.396 -12.427 1.00 0.00 WT1 H ATOM 5072 OH2 TIP3W3245 14.310 13.363 8.028 1.00 0.00 WT1 O ATOM 5073 H1 TIP3W3245 13.432 13.296 7.612 1.00 0.00 WT1 H ATOM 5074 H2 TIP3W3245 14.130 13.874 8.846 1.00 0.00 WT1 H ATOM 5075 OH2 TIP3W3246 23.530 14.244 13.685 1.00 0.00 WT1 O ATOM 5076 H1 TIP3W3246 23.989 13.641 13.103 1.00 0.00 WT1 H ATOM 5077 H2 TIP3W3246 22.669 13.962 13.645 1.00 0.00 WT1 H ATOM 5078 OH2 TIP3W3249 13.445 15.480 21.949 1.00 0.00 WT1 O ATOM 5079 H1 TIP3W3249 12.734 14.880 22.272 1.00 0.00 WT1 H ATOM 5080 H2 TIP3W3249 14.192 15.460 22.601 1.00 0.00 WT1 H ATOM 5081 OH2 TIP3W3257 30.483 24.730 -19.747 1.00 0.00 WT1 O ATOM 5082 H1 TIP3W3257 30.124 25.600 -20.182 1.00 0.00 WT1 H ATOM 5083 H2 TIP3W3257 31.490 24.883 -19.795 1.00 0.00 WT1 H ATOM 5084 OH2 TIP3W3258 28.459 17.458 -15.261 1.00 0.00 WT1 O ATOM 5085 H1 TIP3W3258 28.331 17.736 -16.193 1.00 0.00 WT1 H ATOM 5086 H2 TIP3W3258 29.342 17.803 -15.072 1.00 0.00 WT1 H ATOM 5087 OH2 TIP3W3262 19.514 21.910 -10.665 1.00 0.00 WT1 O ATOM 5088 H1 TIP3W3262 18.877 22.236 -9.953 1.00 0.00 WT1 H ATOM 5089 H2 TIP3W3262 20.346 22.336 -10.412 1.00 0.00 WT1 H ATOM 5090 OH2 TIP3W3266 37.011 20.873 16.513 1.00 0.00 WT1 O ATOM 5091 H1 TIP3W3266 36.424 20.324 17.050 1.00 0.00 WT1 H ATOM 5092 H2 TIP3W3266 37.820 20.294 16.427 1.00 0.00 WT1 H ATOM 5093 OH2 TIP3W3267 43.604 30.546 17.408 1.00 0.00 WT1 O ATOM 5094 H1 TIP3W3267 43.204 30.544 18.279 1.00 0.00 WT1 H ATOM 5095 H2 TIP3W3267 43.237 29.734 16.999 1.00 0.00 WT1 H ATOM 5096 OH2 TIP3W3269 21.299 18.116 18.396 1.00 0.00 WT1 O ATOM 5097 H1 TIP3W3269 21.715 19.011 18.414 1.00 0.00 WT1 H ATOM 5098 H2 TIP3W3269 22.019 17.537 18.842 1.00 0.00 WT1 H ATOM 5099 OH2 TIP3W3270 31.824 9.302 21.301 1.00 0.00 WT1 O ATOM 5100 H1 TIP3W3270 31.925 9.251 22.234 1.00 0.00 WT1 H ATOM 5101 H2 TIP3W3270 31.353 10.073 21.197 1.00 0.00 WT1 H ATOM 5102 OH2 TIP3W3272 29.323 27.193 21.519 1.00 0.00 WT1 O ATOM 5103 H1 TIP3W3272 29.938 26.461 21.309 1.00 0.00 WT1 H ATOM 5104 H2 TIP3W3272 29.229 27.605 20.608 1.00 0.00 WT1 H ATOM 5105 OH2 TIP3W3274 30.663 19.951 -17.354 1.00 0.00 WT1 O ATOM 5106 H1 TIP3W3274 30.224 19.116 -17.523 1.00 0.00 WT1 H ATOM 5107 H2 TIP3W3274 29.999 20.555 -16.942 1.00 0.00 WT1 H ATOM 5108 OH2 TIP3W3277 17.858 39.247 -17.886 1.00 0.00 WT1 O ATOM 5109 H1 TIP3W3277 18.376 39.250 -18.694 1.00 0.00 WT1 H ATOM 5110 H2 TIP3W3277 17.076 39.726 -18.113 1.00 0.00 WT1 H ATOM 5111 OH2 TIP3W3279 30.953 43.734 -13.326 1.00 0.00 WT1 O ATOM 5112 H1 TIP3W3279 31.148 43.328 -12.429 1.00 0.00 WT1 H ATOM 5113 H2 TIP3W3279 31.645 43.406 -13.896 1.00 0.00 WT1 H ATOM 5114 OH2 TIP3W3287 7.055 27.537 8.001 1.00 0.00 WT1 O ATOM 5115 H1 TIP3W3287 6.123 27.518 8.246 1.00 0.00 WT1 H ATOM 5116 H2 TIP3W3287 7.342 28.435 8.326 1.00 0.00 WT1 H ATOM 5117 OH2 TIP3W3288 31.345 36.683 18.410 1.00 0.00 WT1 O ATOM 5118 H1 TIP3W3288 31.017 35.821 18.602 1.00 0.00 WT1 H ATOM 5119 H2 TIP3W3288 32.172 36.497 17.906 1.00 0.00 WT1 H ATOM 5120 OH2 TIP3W3289 28.733 45.765 2.504 1.00 0.00 WT1 O ATOM 5121 H1 TIP3W3289 28.226 46.531 2.678 1.00 0.00 WT1 H ATOM 5122 H2 TIP3W3289 28.382 45.520 1.686 1.00 0.00 WT1 H ATOM 5123 OH2 TIP3W3293 28.081 20.416 20.764 1.00 0.00 WT1 O ATOM 5124 H1 TIP3W3293 27.521 20.331 19.969 1.00 0.00 WT1 H ATOM 5125 H2 TIP3W3293 27.558 20.048 21.495 1.00 0.00 WT1 H ATOM 5126 OH2 TIP3W3296 36.680 17.573 -19.970 1.00 0.00 WT1 O ATOM 5127 H1 TIP3W3296 36.970 17.343 -20.917 1.00 0.00 WT1 H ATOM 5128 H2 TIP3W3296 36.284 18.479 -20.069 1.00 0.00 WT1 H ATOM 5129 OH2 TIP3W3298 32.053 35.950 -16.316 1.00 0.00 WT1 O ATOM 5130 H1 TIP3W3298 32.588 36.792 -16.174 1.00 0.00 WT1 H ATOM 5131 H2 TIP3W3298 31.955 35.836 -17.288 1.00 0.00 WT1 H ATOM 5132 OH2 TIP3W3302 29.077 26.150 -17.274 1.00 0.00 WT1 O ATOM 5133 H1 TIP3W3302 28.700 25.295 -17.483 1.00 0.00 WT1 H ATOM 5134 H2 TIP3W3302 29.097 26.556 -18.149 1.00 0.00 WT1 H ATOM 5135 OH2 TIP3W3310 17.366 29.977 17.147 1.00 0.00 WT1 O ATOM 5136 H1 TIP3W3310 17.120 29.877 18.079 1.00 0.00 WT1 H ATOM 5137 H2 TIP3W3310 18.020 29.307 16.993 1.00 0.00 WT1 H ATOM 5138 OH2 TIP3W3311 32.456 47.958 16.842 1.00 0.00 WT1 O ATOM 5139 H1 TIP3W3311 31.447 48.167 16.711 1.00 0.00 WT1 H ATOM 5140 H2 TIP3W3311 32.689 48.564 17.545 1.00 0.00 WT1 H ATOM 5141 OH2 TIP3W3312 32.651 29.185 20.969 1.00 0.00 WT1 O ATOM 5142 H1 TIP3W3312 31.975 28.990 21.633 1.00 0.00 WT1 H ATOM 5143 H2 TIP3W3312 32.573 28.418 20.321 1.00 0.00 WT1 H ATOM 5144 OH2 TIP3W3317 37.023 25.165 -19.385 1.00 0.00 WT1 O ATOM 5145 H1 TIP3W3317 37.753 25.168 -19.998 1.00 0.00 WT1 H ATOM 5146 H2 TIP3W3317 36.469 24.438 -19.625 1.00 0.00 WT1 H ATOM 5147 OH2 TIP3W3319 27.250 33.482 -19.110 1.00 0.00 WT1 O ATOM 5148 H1 TIP3W3319 27.645 32.606 -19.260 1.00 0.00 WT1 H ATOM 5149 H2 TIP3W3319 26.394 33.404 -19.476 1.00 0.00 WT1 H ATOM 5150 OH2 TIP3W3322 24.786 34.275 -17.149 1.00 0.00 WT1 O ATOM 5151 H1 TIP3W3322 23.990 34.140 -17.707 1.00 0.00 WT1 H ATOM 5152 H2 TIP3W3322 25.138 35.093 -17.492 1.00 0.00 WT1 H ATOM 5153 OH2 TIP3W3323 44.688 32.570 -12.392 1.00 0.00 WT1 O ATOM 5154 H1 TIP3W3323 44.517 32.600 -13.353 1.00 0.00 WT1 H ATOM 5155 H2 TIP3W3323 45.635 32.771 -12.392 1.00 0.00 WT1 H ATOM 5156 OH2 TIP3W3325 38.415 35.473 6.050 1.00 0.00 WT1 O ATOM 5157 H1 TIP3W3325 38.554 36.462 5.928 1.00 0.00 WT1 H ATOM 5158 H2 TIP3W3325 39.222 35.164 5.589 1.00 0.00 WT1 H ATOM 5159 OH2 TIP3W3327 15.570 36.220 8.040 1.00 0.00 WT1 O ATOM 5160 H1 TIP3W3327 16.139 36.957 8.203 1.00 0.00 WT1 H ATOM 5161 H2 TIP3W3327 15.576 35.759 8.874 1.00 0.00 WT1 H ATOM 5162 OH2 TIP3W3328 37.934 44.833 10.525 1.00 0.00 WT1 O ATOM 5163 H1 TIP3W3328 37.010 45.144 10.444 1.00 0.00 WT1 H ATOM 5164 H2 TIP3W3328 37.847 43.810 10.552 1.00 0.00 WT1 H ATOM 5165 OH2 TIP3W3329 23.517 39.743 13.768 1.00 0.00 WT1 O ATOM 5166 H1 TIP3W3329 23.697 38.979 14.340 1.00 0.00 WT1 H ATOM 5167 H2 TIP3W3329 24.063 39.587 12.990 1.00 0.00 WT1 H ATOM 5168 OH2 TIP3W3330 40.404 37.323 21.508 1.00 0.00 WT1 O ATOM 5169 H1 TIP3W3330 40.865 36.970 22.280 1.00 0.00 WT1 H ATOM 5170 H2 TIP3W3330 39.848 37.995 21.881 1.00 0.00 WT1 H ATOM 5171 OH2 TIP3W3344 27.506 37.279 -13.370 1.00 0.00 WT1 O ATOM 5172 H1 TIP3W3344 27.849 36.409 -13.676 1.00 0.00 WT1 H ATOM 5173 H2 TIP3W3344 26.911 37.636 -14.119 1.00 0.00 WT1 H ATOM 5174 OH2 TIP3W3345 43.555 38.405 -2.757 1.00 0.00 WT1 O ATOM 5175 H1 TIP3W3345 44.295 38.899 -3.293 1.00 0.00 WT1 H ATOM 5176 H2 TIP3W3345 43.965 38.161 -1.927 1.00 0.00 WT1 H ATOM 5177 OH2 TIP3W3346 35.812 32.126 8.136 1.00 0.00 WT1 O ATOM 5178 H1 TIP3W3346 35.029 32.369 8.711 1.00 0.00 WT1 H ATOM 5179 H2 TIP3W3346 36.404 32.899 8.179 1.00 0.00 WT1 H ATOM 5180 OH2 TIP3W3353 28.030 35.768 19.544 1.00 0.00 WT1 O ATOM 5181 H1 TIP3W3353 28.112 35.437 18.647 1.00 0.00 WT1 H ATOM 5182 H2 TIP3W3353 28.251 35.008 20.141 1.00 0.00 WT1 H ATOM 5183 OH2 TIP3W3355 31.894 36.843 11.534 1.00 0.00 WT1 O ATOM 5184 H1 TIP3W3355 32.492 36.165 11.841 1.00 0.00 WT1 H ATOM 5185 H2 TIP3W3355 31.852 37.509 12.296 1.00 0.00 WT1 H ATOM 5186 OH2 TIP3W3360 18.014 32.791 -20.458 1.00 0.00 WT1 O ATOM 5187 H1 TIP3W3360 17.109 32.469 -20.388 1.00 0.00 WT1 H ATOM 5188 H2 TIP3W3360 17.875 33.615 -20.796 1.00 0.00 WT1 H ATOM 5189 OH2 TIP3W3361 41.248 30.958 -14.583 1.00 0.00 WT1 O ATOM 5190 H1 TIP3W3361 40.661 30.942 -15.302 1.00 0.00 WT1 H ATOM 5191 H2 TIP3W3361 40.690 30.529 -13.848 1.00 0.00 WT1 H ATOM 5192 OH2 TIP3W3362 39.902 37.966 -7.544 1.00 0.00 WT1 O ATOM 5193 H1 TIP3W3362 40.031 37.301 -6.860 1.00 0.00 WT1 H ATOM 5194 H2 TIP3W3362 38.918 38.046 -7.616 1.00 0.00 WT1 H ATOM 5195 OH2 TIP3W3363 37.251 45.955 -11.280 1.00 0.00 WT1 O ATOM 5196 H1 TIP3W3363 36.277 46.128 -11.218 1.00 0.00 WT1 H ATOM 5197 H2 TIP3W3363 37.394 45.479 -10.462 1.00 0.00 WT1 H ATOM 5198 OH2 TIP3W3365 19.032 30.091 1.506 1.00 0.00 WT1 O ATOM 5199 H1 TIP3W3365 19.237 29.956 0.584 1.00 0.00 WT1 H ATOM 5200 H2 TIP3W3365 19.247 31.025 1.684 1.00 0.00 WT1 H ATOM 5201 OH2 TIP3W3366 42.112 42.432 -7.888 1.00 0.00 WT1 O ATOM 5202 H1 TIP3W3366 42.855 42.771 -8.371 1.00 0.00 WT1 H ATOM 5203 H2 TIP3W3366 42.104 41.458 -8.133 1.00 0.00 WT1 H ATOM 5204 OH2 TIP3W3369 35.345 27.757 16.313 1.00 0.00 WT1 O ATOM 5205 H1 TIP3W3369 36.228 27.564 15.957 1.00 0.00 WT1 H ATOM 5206 H2 TIP3W3369 35.142 28.530 15.790 1.00 0.00 WT1 H ATOM 5207 OH2 TIP3W3370 18.253 43.952 16.981 1.00 0.00 WT1 O ATOM 5208 H1 TIP3W3370 18.312 44.857 16.626 1.00 0.00 WT1 H ATOM 5209 H2 TIP3W3370 17.665 44.037 17.717 1.00 0.00 WT1 H ATOM 5210 OH2 TIP3W3372 28.897 45.116 22.513 1.00 0.00 WT1 O ATOM 5211 H1 TIP3W3372 29.562 44.647 21.969 1.00 0.00 WT1 H ATOM 5212 H2 TIP3W3372 28.219 44.399 22.443 1.00 0.00 WT1 H ATOM 5213 OH2 TIP3W3373 18.855 37.216 20.475 1.00 0.00 WT1 O ATOM 5214 H1 TIP3W3373 18.188 37.297 21.228 1.00 0.00 WT1 H ATOM 5215 H2 TIP3W3373 19.240 36.315 20.547 1.00 0.00 WT1 H ATOM 5216 OH2 TIP3W3375 47.033 43.709 13.363 1.00 0.00 WT1 O ATOM 5217 H1 TIP3W3375 46.135 43.965 13.011 1.00 0.00 WT1 H ATOM 5218 H2 TIP3W3375 47.409 44.585 13.487 1.00 0.00 WT1 H ATOM 5219 OH2 TIP3W3382 20.347 29.210 -20.366 1.00 0.00 WT1 O ATOM 5220 H1 TIP3W3382 20.567 28.312 -20.270 1.00 0.00 WT1 H ATOM 5221 H2 TIP3W3382 20.201 29.432 -19.407 1.00 0.00 WT1 H ATOM 5222 OH2 TIP3W3388 23.382 47.188 -7.166 1.00 0.00 WT1 O ATOM 5223 H1 TIP3W3388 24.308 47.034 -7.440 1.00 0.00 WT1 H ATOM 5224 H2 TIP3W3388 23.034 46.402 -6.734 1.00 0.00 WT1 H ATOM 5225 OH2 TIP3W3391 27.045 48.919 12.160 1.00 0.00 WT1 O ATOM 5226 H1 TIP3W3391 26.220 49.096 12.652 1.00 0.00 WT1 H ATOM 5227 H2 TIP3W3391 27.615 48.585 12.898 1.00 0.00 WT1 H ATOM 5228 OH2 TIP3W3392 24.262 43.394 19.489 1.00 0.00 WT1 O ATOM 5229 H1 TIP3W3392 24.731 42.568 19.085 1.00 0.00 WT1 H ATOM 5230 H2 TIP3W3392 23.500 43.597 18.910 1.00 0.00 WT1 H ATOM 5231 OH2 TIP3W3396 24.226 42.613 22.086 1.00 0.00 WT1 O ATOM 5232 H1 TIP3W3396 24.386 42.770 21.099 1.00 0.00 WT1 H ATOM 5233 H2 TIP3W3396 23.458 43.190 22.199 1.00 0.00 WT1 H ATOM 5234 OH2 TIP3W3397 41.526 44.812 15.964 1.00 0.00 WT1 O ATOM 5235 H1 TIP3W3397 42.353 44.503 15.608 1.00 0.00 WT1 H ATOM 5236 H2 TIP3W3397 41.788 45.242 16.771 1.00 0.00 WT1 H ATOM 5237 OH2 TIP3W3401 20.717 39.244 19.988 1.00 0.00 WT1 O ATOM 5238 H1 TIP3W3401 20.018 38.512 19.845 1.00 0.00 WT1 H ATOM 5239 H2 TIP3W3401 20.226 39.856 20.448 1.00 0.00 WT1 H ATOM 5240 OH2 TIP3W3402 33.759 31.086 -20.348 1.00 0.00 WT1 O ATOM 5241 H1 TIP3W3402 33.291 30.516 -19.712 1.00 0.00 WT1 H ATOM 5242 H2 TIP3W3402 33.389 30.857 -21.157 1.00 0.00 WT1 H ATOM 5243 OH2 TIP3W3404 28.601 43.469 -19.071 1.00 0.00 WT1 O ATOM 5244 H1 TIP3W3404 28.383 43.926 -18.234 1.00 0.00 WT1 H ATOM 5245 H2 TIP3W3404 29.249 44.034 -19.478 1.00 0.00 WT1 H ATOM 5246 OH2 TIP3W3407 36.848 34.885 -14.998 1.00 0.00 WT1 O ATOM 5247 H1 TIP3W3407 35.899 34.703 -15.239 1.00 0.00 WT1 H ATOM 5248 H2 TIP3W3407 37.055 35.548 -15.737 1.00 0.00 WT1 H ATOM 5249 OH2 TIP3W3409 38.121 43.668 -15.284 1.00 0.00 WT1 O ATOM 5250 H1 TIP3W3409 38.137 42.741 -15.024 1.00 0.00 WT1 H ATOM 5251 H2 TIP3W3409 38.912 43.761 -15.819 1.00 0.00 WT1 H ATOM 5252 OH2 TIP3W3411 18.911 48.243 -2.120 1.00 0.00 WT1 O ATOM 5253 H1 TIP3W3411 18.082 48.795 -2.043 1.00 0.00 WT1 H ATOM 5254 H2 TIP3W3411 18.765 47.881 -3.016 1.00 0.00 WT1 H ATOM 5255 OH2 TIP3W3415 21.994 32.295 20.829 1.00 0.00 WT1 O ATOM 5256 H1 TIP3W3415 21.930 32.778 21.633 1.00 0.00 WT1 H ATOM 5257 H2 TIP3W3415 22.627 31.574 21.022 1.00 0.00 WT1 H ATOM 5258 OH2 TIP3W3422 21.663 47.994 -1.989 1.00 0.00 WT1 O ATOM 5259 H1 TIP3W3422 21.571 47.736 -1.073 1.00 0.00 WT1 H ATOM 5260 H2 TIP3W3422 20.712 48.109 -2.271 1.00 0.00 WT1 H ATOM 5261 OH2 TIP3W3424 25.014 47.582 -16.220 1.00 0.00 WT1 O ATOM 5262 H1 TIP3W3424 25.582 48.222 -15.764 1.00 0.00 WT1 H ATOM 5263 H2 TIP3W3424 24.287 47.504 -15.598 1.00 0.00 WT1 H ATOM 5264 OH2 TIP3W3426 20.052 0.395 -12.020 1.00 0.00 WT1 O ATOM 5265 H1 TIP3W3426 21.009 0.124 -12.065 1.00 0.00 WT1 H ATOM 5266 H2 TIP3W3426 19.559 -0.256 -11.423 1.00 0.00 WT1 H ATOM 5267 OH2 TIP3W3428 35.291 43.311 -11.832 1.00 0.00 WT1 O ATOM 5268 H1 TIP3W3428 34.357 43.330 -12.021 1.00 0.00 WT1 H ATOM 5269 H2 TIP3W3428 35.619 42.556 -12.339 1.00 0.00 WT1 H ATOM 5270 OH2 TIP3W3429 36.484 36.879 -16.915 1.00 0.00 WT1 O ATOM 5271 H1 TIP3W3429 36.262 37.677 -17.426 1.00 0.00 WT1 H ATOM 5272 H2 TIP3W3429 36.336 37.211 -15.997 1.00 0.00 WT1 H ATOM 5273 OH2 TIP3W3431 37.938 49.612 -2.839 1.00 0.00 WT1 O ATOM 5274 H1 TIP3W3431 38.130 50.551 -3.106 1.00 0.00 WT1 H ATOM 5275 H2 TIP3W3431 38.440 49.537 -2.026 1.00 0.00 WT1 H ATOM 5276 OH2 TIP3W3434 27.946 0.689 11.456 1.00 0.00 WT1 O ATOM 5277 H1 TIP3W3434 28.030 0.115 12.233 1.00 0.00 WT1 H ATOM 5278 H2 TIP3W3434 27.055 0.973 11.458 1.00 0.00 WT1 H ATOM 5279 OH2 TIP3W3437 10.466 47.078 15.339 1.00 0.00 WT1 O ATOM 5280 H1 TIP3W3437 11.058 47.841 15.155 1.00 0.00 WT1 H ATOM 5281 H2 TIP3W3437 10.759 46.398 14.680 1.00 0.00 WT1 H ATOM 5282 OH2 TIP3W3442 20.880 11.693 -19.838 1.00 0.00 WT1 O ATOM 5283 H1 TIP3W3442 21.790 11.591 -20.246 1.00 0.00 WT1 H ATOM 5284 H2 TIP3W3442 20.592 12.666 -20.132 1.00 0.00 WT1 H ATOM 5285 OH2 TIP3W3445 39.510 45.004 -20.742 1.00 0.00 WT1 O ATOM 5286 H1 TIP3W3445 39.131 45.554 -21.417 1.00 0.00 WT1 H ATOM 5287 H2 TIP3W3445 38.796 44.956 -20.094 1.00 0.00 WT1 H ATOM 5288 OH2 TIP3W3447 15.626 0.843 -13.838 1.00 0.00 WT1 O ATOM 5289 H1 TIP3W3447 15.701 -0.072 -13.643 1.00 0.00 WT1 H ATOM 5290 H2 TIP3W3447 14.733 1.049 -13.613 1.00 0.00 WT1 H ATOM 5291 OH2 TIP3W3448 31.266 44.991 3.580 1.00 0.00 WT1 O ATOM 5292 H1 TIP3W3448 31.226 44.096 3.960 1.00 0.00 WT1 H ATOM 5293 H2 TIP3W3448 30.513 45.014 2.989 1.00 0.00 WT1 H ATOM 5294 OH2 TIP3W3449 19.061 48.145 -5.798 1.00 0.00 WT1 O ATOM 5295 H1 TIP3W3449 19.611 47.401 -5.570 1.00 0.00 WT1 H ATOM 5296 H2 TIP3W3449 19.591 48.622 -6.531 1.00 0.00 WT1 H ATOM 5297 OH2 TIP3W3450 27.604 41.032 -16.678 1.00 0.00 WT1 O ATOM 5298 H1 TIP3W3450 27.298 40.926 -15.785 1.00 0.00 WT1 H ATOM 5299 H2 TIP3W3450 26.860 40.717 -17.231 1.00 0.00 WT1 H ATOM 5300 OH2 TIP3W3453 34.704 45.726 7.940 1.00 0.00 WT1 O ATOM 5301 H1 TIP3W3453 34.983 45.180 7.176 1.00 0.00 WT1 H ATOM 5302 H2 TIP3W3453 35.256 45.405 8.681 1.00 0.00 WT1 H ATOM 5303 OH2 TIP3W3454 34.348 49.408 14.760 1.00 0.00 WT1 O ATOM 5304 H1 TIP3W3454 33.691 49.095 15.382 1.00 0.00 WT1 H ATOM 5305 H2 TIP3W3454 33.810 49.665 13.975 1.00 0.00 WT1 H ATOM 5306 OH2 TIP3W3455 25.826 46.094 11.537 1.00 0.00 WT1 O ATOM 5307 H1 TIP3W3455 26.456 45.365 11.425 1.00 0.00 WT1 H ATOM 5308 H2 TIP3W3455 26.459 46.826 11.613 1.00 0.00 WT1 H ATOM 5309 OH2 TIP3W3456 24.327 48.983 6.137 1.00 0.00 WT1 O ATOM 5310 H1 TIP3W3456 24.599 49.062 5.207 1.00 0.00 WT1 H ATOM 5311 H2 TIP3W3456 23.801 48.150 6.184 1.00 0.00 WT1 H ATOM 5312 OH2 TIP3W3461 20.531 48.499 19.527 1.00 0.00 WT1 O ATOM 5313 H1 TIP3W3461 19.786 49.054 19.988 1.00 0.00 WT1 H ATOM 5314 H2 TIP3W3461 20.413 47.641 19.953 1.00 0.00 WT1 H ATOM 5315 OH2 TIP3W3462 25.717 44.759 13.854 1.00 0.00 WT1 O ATOM 5316 H1 TIP3W3462 25.733 43.855 14.286 1.00 0.00 WT1 H ATOM 5317 H2 TIP3W3462 25.362 44.655 12.947 1.00 0.00 WT1 H ATOM 5318 OH2 TIP3W3466 30.093 48.927 -16.250 1.00 0.00 WT1 O ATOM 5319 H1 TIP3W3466 30.222 48.500 -17.136 1.00 0.00 WT1 H ATOM 5320 H2 TIP3W3466 29.140 48.739 -16.076 1.00 0.00 WT1 H ATOM 5321 OH2 TIP3W3467 20.175 45.372 -12.611 1.00 0.00 WT1 O ATOM 5322 H1 TIP3W3467 19.975 44.740 -11.933 1.00 0.00 WT1 H ATOM 5323 H2 TIP3W3467 20.582 46.028 -12.061 1.00 0.00 WT1 H ATOM 5324 OH2 TIP3W3470 33.671 44.411 -9.386 1.00 0.00 WT1 O ATOM 5325 H1 TIP3W3470 34.377 44.643 -10.006 1.00 0.00 WT1 H ATOM 5326 H2 TIP3W3470 33.917 43.569 -9.073 1.00 0.00 WT1 H ATOM 5327 OH2 TIP3W3473 12.483 40.349 -5.976 1.00 0.00 WT1 O ATOM 5328 H1 TIP3W3473 12.970 40.538 -5.150 1.00 0.00 WT1 H ATOM 5329 H2 TIP3W3473 11.901 41.026 -5.976 1.00 0.00 WT1 H ATOM 5330 OH2 TIP3W3474 31.972 -0.024 9.562 1.00 0.00 WT1 O ATOM 5331 H1 TIP3W3474 32.466 0.121 8.711 1.00 0.00 WT1 H ATOM 5332 H2 TIP3W3474 32.709 0.102 10.226 1.00 0.00 WT1 H ATOM 5333 OH2 TIP3W3476 35.247 -0.891 1.464 1.00 0.00 WT1 O ATOM 5334 H1 TIP3W3476 35.871 -0.350 1.046 1.00 0.00 WT1 H ATOM 5335 H2 TIP3W3476 35.056 -0.441 2.313 1.00 0.00 WT1 H ATOM 5336 OH2 TIP3W3484 31.239 1.512 -10.243 1.00 0.00 WT1 O ATOM 5337 H1 TIP3W3484 31.780 0.901 -10.749 1.00 0.00 WT1 H ATOM 5338 H2 TIP3W3484 30.560 0.938 -9.842 1.00 0.00 WT1 H ATOM 5339 OH2 TIP3W3489 34.890 48.906 -5.281 1.00 0.00 WT1 O ATOM 5340 H1 TIP3W3489 34.317 49.516 -5.644 1.00 0.00 WT1 H ATOM 5341 H2 TIP3W3489 35.733 49.188 -5.615 1.00 0.00 WT1 H ATOM 5342 OH2 TIP3W3493 28.633 48.341 20.338 1.00 0.00 WT1 O ATOM 5343 H1 TIP3W3493 28.023 48.109 19.621 1.00 0.00 WT1 H ATOM 5344 H2 TIP3W3493 28.025 48.533 21.117 1.00 0.00 WT1 H ATOM 5345 OH2 TIP3W3496 22.945 4.010 15.690 1.00 0.00 WT1 O ATOM 5346 H1 TIP3W3496 23.611 4.711 15.583 1.00 0.00 WT1 H ATOM 5347 H2 TIP3W3496 22.244 4.348 15.152 1.00 0.00 WT1 H ATOM 5348 OH2 TIP3W3504 28.094 1.580 21.885 1.00 0.00 WT1 O ATOM 5349 H1 TIP3W3504 27.265 1.119 21.914 1.00 0.00 WT1 H ATOM 5350 H2 TIP3W3504 28.047 2.041 21.027 1.00 0.00 WT1 H ATOM 5351 OH2 TIP3W3511 39.340 8.617 -20.820 1.00 0.00 WT1 O ATOM 5352 H1 TIP3W3511 39.522 8.688 -19.874 1.00 0.00 WT1 H ATOM 5353 H2 TIP3W3511 38.409 8.360 -20.847 1.00 0.00 WT1 H ATOM 5354 OH2 TIP3W3514 48.901 0.691 -14.265 1.00 0.00 WT1 O ATOM 5355 H1 TIP3W3514 48.356 0.864 -13.524 1.00 0.00 WT1 H ATOM 5356 H2 TIP3W3514 49.486 0.036 -13.991 1.00 0.00 WT1 H ATOM 5357 OH2 TIP3W3517 22.298 -0.839 19.245 1.00 0.00 WT1 O ATOM 5358 H1 TIP3W3517 22.712 -0.503 18.441 1.00 0.00 WT1 H ATOM 5359 H2 TIP3W3517 22.577 -0.203 19.981 1.00 0.00 WT1 H ATOM 5360 OH2 TIP3W3526 24.907 13.202 -20.732 1.00 0.00 WT1 O ATOM 5361 H1 TIP3W3526 25.831 13.367 -20.380 1.00 0.00 WT1 H ATOM 5362 H2 TIP3W3526 24.457 12.660 -20.074 1.00 0.00 WT1 H ATOM 5363 OH2 TIP3W3527 22.648 9.540 -11.675 1.00 0.00 WT1 O ATOM 5364 H1 TIP3W3527 23.398 9.133 -11.262 1.00 0.00 WT1 H ATOM 5365 H2 TIP3W3527 22.621 9.161 -12.577 1.00 0.00 WT1 H ATOM 5366 OH2 TIP3W3533 41.165 2.020 -17.726 1.00 0.00 WT1 O ATOM 5367 H1 TIP3W3533 40.687 1.443 -18.290 1.00 0.00 WT1 H ATOM 5368 H2 TIP3W3533 41.767 2.418 -18.404 1.00 0.00 WT1 H ATOM 5369 OH2 TIP3W3545 14.717 5.219 -12.906 1.00 0.00 WT1 O ATOM 5370 H1 TIP3W3545 14.120 5.785 -12.408 1.00 0.00 WT1 H ATOM 5371 H2 TIP3W3545 15.387 4.987 -12.247 1.00 0.00 WT1 H ATOM 5372 OH2 TIP3W3548 22.127 11.330 -14.372 1.00 0.00 WT1 O ATOM 5373 H1 TIP3W3548 22.416 11.230 -13.406 1.00 0.00 WT1 H ATOM 5374 H2 TIP3W3548 21.470 12.053 -14.347 1.00 0.00 WT1 H ATOM 5375 OH2 TIP3W3554 23.648 8.414 -14.270 1.00 0.00 WT1 O ATOM 5376 H1 TIP3W3554 23.846 7.781 -15.006 1.00 0.00 WT1 H ATOM 5377 H2 TIP3W3554 24.536 8.703 -13.965 1.00 0.00 WT1 H ATOM 5378 OH2 TIP3W3555 32.925 3.298 -5.372 1.00 0.00 WT1 O ATOM 5379 H1 TIP3W3555 32.535 2.551 -5.947 1.00 0.00 WT1 H ATOM 5380 H2 TIP3W3555 33.766 3.406 -5.843 1.00 0.00 WT1 H ATOM 5381 OH2 TIP3W3560 26.891 6.147 19.112 1.00 0.00 WT1 O ATOM 5382 H1 TIP3W3560 27.021 6.205 18.138 1.00 0.00 WT1 H ATOM 5383 H2 TIP3W3560 27.175 5.232 19.294 1.00 0.00 WT1 H ATOM 5384 OH2 TIP3W3561 36.679 3.845 8.353 1.00 0.00 WT1 O ATOM 5385 H1 TIP3W3561 36.242 4.592 7.941 1.00 0.00 WT1 H ATOM 5386 H2 TIP3W3561 37.608 3.947 8.045 1.00 0.00 WT1 H ATOM 5387 OH2 TIP3W3562 29.890 -0.600 22.124 1.00 0.00 WT1 O ATOM 5388 H1 TIP3W3562 29.215 0.153 22.118 1.00 0.00 WT1 H ATOM 5389 H2 TIP3W3562 29.354 -1.304 22.603 1.00 0.00 WT1 H ATOM 5390 OH2 TIP3W3563 38.742 4.775 14.281 1.00 0.00 WT1 O ATOM 5391 H1 TIP3W3563 39.539 4.598 13.830 1.00 0.00 WT1 H ATOM 5392 H2 TIP3W3563 38.844 5.777 14.530 1.00 0.00 WT1 H ATOM 5393 OH2 TIP3W3565 31.877 50.684 9.120 1.00 0.00 WT1 O ATOM 5394 H1 TIP3W3565 30.911 50.522 9.371 1.00 0.00 WT1 H ATOM 5395 H2 TIP3W3565 32.235 49.875 9.624 1.00 0.00 WT1 H ATOM 5396 OH2 TIP3W3569 32.322 4.136 -12.205 1.00 0.00 WT1 O ATOM 5397 H1 TIP3W3569 32.704 3.258 -12.106 1.00 0.00 WT1 H ATOM 5398 H2 TIP3W3569 32.640 4.418 -13.081 1.00 0.00 WT1 H ATOM 5399 OH2 TIP3W3573 29.641 8.450 -17.415 1.00 0.00 WT1 O ATOM 5400 H1 TIP3W3573 29.313 7.982 -18.242 1.00 0.00 WT1 H ATOM 5401 H2 TIP3W3573 29.636 7.709 -16.750 1.00 0.00 WT1 H ATOM 5402 OH2 TIP3W3578 33.775 4.515 19.332 1.00 0.00 WT1 O ATOM 5403 H1 TIP3W3578 34.732 4.712 19.513 1.00 0.00 WT1 H ATOM 5404 H2 TIP3W3578 33.380 5.356 19.613 1.00 0.00 WT1 H ATOM 5405 OH2 TIP3W3579 36.614 3.595 11.000 1.00 0.00 WT1 O ATOM 5406 H1 TIP3W3579 37.572 3.672 11.314 1.00 0.00 WT1 H ATOM 5407 H2 TIP3W3579 36.751 3.435 10.025 1.00 0.00 WT1 H ATOM 5408 OH2 TIP3W3583 45.286 8.078 21.827 1.00 0.00 WT1 O ATOM 5409 H1 TIP3W3583 44.766 8.765 21.230 1.00 0.00 WT1 H ATOM 5410 H2 TIP3W3583 45.609 7.388 21.217 1.00 0.00 WT1 H ATOM 5411 OH2 TIP3W3586 25.688 11.594 16.660 1.00 0.00 WT1 O ATOM 5412 H1 TIP3W3586 24.857 11.399 16.187 1.00 0.00 WT1 H ATOM 5413 H2 TIP3W3586 25.908 10.788 17.120 1.00 0.00 WT1 H ATOM 5414 OH2 TIP3W3593 36.323 11.389 -20.071 1.00 0.00 WT1 O ATOM 5415 H1 TIP3W3593 36.770 12.090 -19.539 1.00 0.00 WT1 H ATOM 5416 H2 TIP3W3593 36.011 10.747 -19.440 1.00 0.00 WT1 H ATOM 5417 OH2 TIP3W3596 11.884 17.990 -17.077 1.00 0.00 WT1 O ATOM 5418 H1 TIP3W3596 12.014 17.905 -18.115 1.00 0.00 WT1 H ATOM 5419 H2 TIP3W3596 12.280 18.825 -16.837 1.00 0.00 WT1 H ATOM 5420 OH2 TIP3W3597 23.884 19.236 -11.077 1.00 0.00 WT1 O ATOM 5421 H1 TIP3W3597 24.379 18.472 -10.760 1.00 0.00 WT1 H ATOM 5422 H2 TIP3W3597 23.137 19.254 -10.466 1.00 0.00 WT1 H ATOM 5423 OH2 TIP3W3598 44.979 11.996 13.146 1.00 0.00 WT1 O ATOM 5424 H1 TIP3W3598 45.053 11.541 13.988 1.00 0.00 WT1 H ATOM 5425 H2 TIP3W3598 45.725 11.620 12.668 1.00 0.00 WT1 H ATOM 5426 OH2 TIP3W3599 30.737 5.311 -2.490 1.00 0.00 WT1 O ATOM 5427 H1 TIP3W3599 30.193 4.735 -1.928 1.00 0.00 WT1 H ATOM 5428 H2 TIP3W3599 30.575 6.168 -2.075 1.00 0.00 WT1 H ATOM 5429 OH2 TIP3W3602 33.639 11.135 19.885 1.00 0.00 WT1 O ATOM 5430 H1 TIP3W3602 33.026 10.424 20.038 1.00 0.00 WT1 H ATOM 5431 H2 TIP3W3602 34.397 10.778 20.420 1.00 0.00 WT1 H ATOM 5432 OH2 TIP3W3604 35.270 13.253 15.659 1.00 0.00 WT1 O ATOM 5433 H1 TIP3W3604 36.055 12.965 15.118 1.00 0.00 WT1 H ATOM 5434 H2 TIP3W3604 34.567 13.430 14.987 1.00 0.00 WT1 H ATOM 5435 OH2 TIP3W3612 31.522 4.121 -19.832 1.00 0.00 WT1 O ATOM 5436 H1 TIP3W3612 31.112 3.690 -19.170 1.00 0.00 WT1 H ATOM 5437 H2 TIP3W3612 32.133 4.686 -19.371 1.00 0.00 WT1 H ATOM 5438 OH2 TIP3W3616 44.106 14.684 4.248 1.00 0.00 WT1 O ATOM 5439 H1 TIP3W3616 44.840 14.039 4.038 1.00 0.00 WT1 H ATOM 5440 H2 TIP3W3616 44.186 15.442 3.585 1.00 0.00 WT1 H ATOM 5441 OH2 TIP3W3618 14.760 14.012 5.349 1.00 0.00 WT1 O ATOM 5442 H1 TIP3W3618 14.948 13.813 6.237 1.00 0.00 WT1 H ATOM 5443 H2 TIP3W3618 14.934 14.979 5.305 1.00 0.00 WT1 H ATOM 5444 OH2 TIP3W3619 22.247 3.227 -10.591 1.00 0.00 WT1 O ATOM 5445 H1 TIP3W3619 22.228 2.492 -9.915 1.00 0.00 WT1 H ATOM 5446 H2 TIP3W3619 22.014 2.743 -11.379 1.00 0.00 WT1 H ATOM 5447 OH2 TIP3W3622 36.153 -0.979 9.321 1.00 0.00 WT1 O ATOM 5448 H1 TIP3W3622 36.340 -1.264 10.204 1.00 0.00 WT1 H ATOM 5449 H2 TIP3W3622 37.049 -0.725 8.973 1.00 0.00 WT1 H ATOM 5450 OH2 TIP3W3623 35.839 4.783 -6.549 1.00 0.00 WT1 O ATOM 5451 H1 TIP3W3623 36.296 3.921 -6.431 1.00 0.00 WT1 H ATOM 5452 H2 TIP3W3623 35.478 4.683 -7.451 1.00 0.00 WT1 H ATOM 5453 OH2 TIP3W3627 21.686 10.470 16.985 1.00 0.00 WT1 O ATOM 5454 H1 TIP3W3627 22.347 10.381 17.704 1.00 0.00 WT1 H ATOM 5455 H2 TIP3W3627 21.117 9.726 17.119 1.00 0.00 WT1 H ATOM 5456 OH2 TIP3W3636 34.990 21.581 -18.247 1.00 0.00 WT1 O ATOM 5457 H1 TIP3W3636 35.173 22.237 -17.574 1.00 0.00 WT1 H ATOM 5458 H2 TIP3W3636 34.432 21.019 -17.654 1.00 0.00 WT1 H ATOM 5459 OH2 TIP3W3641 22.705 14.036 -7.579 1.00 0.00 WT1 O ATOM 5460 H1 TIP3W3641 23.559 13.558 -7.728 1.00 0.00 WT1 H ATOM 5461 H2 TIP3W3641 22.353 13.670 -6.769 1.00 0.00 WT1 H ATOM 5462 OH2 TIP3W3645 40.916 27.580 21.039 1.00 0.00 WT1 O ATOM 5463 H1 TIP3W3645 41.832 27.196 21.022 1.00 0.00 WT1 H ATOM 5464 H2 TIP3W3645 40.245 26.927 21.386 1.00 0.00 WT1 H ATOM 5465 OH2 TIP3W3646 45.986 10.821 18.040 1.00 0.00 WT1 O ATOM 5466 H1 TIP3W3646 45.985 9.873 18.051 1.00 0.00 WT1 H ATOM 5467 H2 TIP3W3646 46.920 11.052 17.998 1.00 0.00 WT1 H ATOM 5468 OH2 TIP3W3650 16.564 18.246 -19.565 1.00 0.00 WT1 O ATOM 5469 H1 TIP3W3650 16.988 19.108 -19.436 1.00 0.00 WT1 H ATOM 5470 H2 TIP3W3650 16.425 18.105 -20.544 1.00 0.00 WT1 H ATOM 5471 OH2 TIP3W3651 21.196 22.419 -20.232 1.00 0.00 WT1 O ATOM 5472 H1 TIP3W3651 22.036 22.695 -20.752 1.00 0.00 WT1 H ATOM 5473 H2 TIP3W3651 20.561 23.078 -20.544 1.00 0.00 WT1 H ATOM 5474 OH2 TIP3W3653 24.731 7.081 -7.223 1.00 0.00 WT1 O ATOM 5475 H1 TIP3W3653 25.032 6.820 -6.353 1.00 0.00 WT1 H ATOM 5476 H2 TIP3W3653 24.225 7.855 -7.034 1.00 0.00 WT1 H ATOM 5477 OH2 TIP3W3660 18.346 6.300 -15.150 1.00 0.00 WT1 O ATOM 5478 H1 TIP3W3660 18.668 5.708 -14.448 1.00 0.00 WT1 H ATOM 5479 H2 TIP3W3660 18.196 7.159 -14.671 1.00 0.00 WT1 H ATOM 5480 OH2 TIP3W3661 12.334 22.168 -4.359 1.00 0.00 WT1 O ATOM 5481 H1 TIP3W3661 13.212 22.047 -4.750 1.00 0.00 WT1 H ATOM 5482 H2 TIP3W3661 11.960 22.988 -4.677 1.00 0.00 WT1 H ATOM 5483 OH2 TIP3W3662 23.216 9.255 -6.701 1.00 0.00 WT1 O ATOM 5484 H1 TIP3W3662 22.830 9.765 -7.411 1.00 0.00 WT1 H ATOM 5485 H2 TIP3W3662 22.583 8.566 -6.522 1.00 0.00 WT1 H ATOM 5486 OH2 TIP3W3663 40.298 17.060 13.243 1.00 0.00 WT1 O ATOM 5487 H1 TIP3W3663 39.562 17.460 13.737 1.00 0.00 WT1 H ATOM 5488 H2 TIP3W3663 41.059 17.259 13.873 1.00 0.00 WT1 H ATOM 5489 OH2 TIP3W3664 41.007 29.889 5.394 1.00 0.00 WT1 O ATOM 5490 H1 TIP3W3664 41.778 30.512 5.174 1.00 0.00 WT1 H ATOM 5491 H2 TIP3W3664 40.423 30.552 5.684 1.00 0.00 WT1 H ATOM 5492 OH2 TIP3W3665 7.812 17.308 4.221 1.00 0.00 WT1 O ATOM 5493 H1 TIP3W3665 8.352 18.004 4.620 1.00 0.00 WT1 H ATOM 5494 H2 TIP3W3665 7.525 17.758 3.427 1.00 0.00 WT1 H ATOM 5495 OH2 TIP3W3666 18.195 8.834 21.500 1.00 0.00 WT1 O ATOM 5496 H1 TIP3W3666 19.094 8.440 21.409 1.00 0.00 WT1 H ATOM 5497 H2 TIP3W3666 18.384 9.750 21.907 1.00 0.00 WT1 H ATOM 5498 OH2 TIP3W3674 34.780 17.281 -18.029 1.00 0.00 WT1 O ATOM 5499 H1 TIP3W3674 35.491 17.024 -18.583 1.00 0.00 WT1 H ATOM 5500 H2 TIP3W3674 33.997 17.291 -18.560 1.00 0.00 WT1 H ATOM 5501 OH2 TIP3W3677 22.607 31.989 -15.450 1.00 0.00 WT1 O ATOM 5502 H1 TIP3W3677 22.363 32.604 -16.174 1.00 0.00 WT1 H ATOM 5503 H2 TIP3W3677 23.372 32.358 -15.024 1.00 0.00 WT1 H ATOM 5504 OH2 TIP3W3681 36.403 37.119 -20.954 1.00 0.00 WT1 O ATOM 5505 H1 TIP3W3681 37.216 37.528 -20.633 1.00 0.00 WT1 H ATOM 5506 H2 TIP3W3681 35.856 37.168 -20.155 1.00 0.00 WT1 H ATOM 5507 OH2 TIP3W3683 15.488 35.348 16.432 1.00 0.00 WT1 O ATOM 5508 H1 TIP3W3683 15.530 34.412 16.714 1.00 0.00 WT1 H ATOM 5509 H2 TIP3W3683 16.344 35.725 16.761 1.00 0.00 WT1 H ATOM 5510 OH2 TIP3W3686 43.113 19.018 17.296 1.00 0.00 WT1 O ATOM 5511 H1 TIP3W3686 42.193 19.002 17.309 1.00 0.00 WT1 H ATOM 5512 H2 TIP3W3686 43.345 18.199 17.753 1.00 0.00 WT1 H ATOM 5513 OH2 TIP3W3687 10.216 30.867 14.098 1.00 0.00 WT1 O ATOM 5514 H1 TIP3W3687 10.199 29.986 14.564 1.00 0.00 WT1 H ATOM 5515 H2 TIP3W3687 10.014 30.577 13.189 1.00 0.00 WT1 H ATOM 5516 OH2 TIP3W3693 33.090 25.094 -19.238 1.00 0.00 WT1 O ATOM 5517 H1 TIP3W3693 33.794 25.762 -19.275 1.00 0.00 WT1 H ATOM 5518 H2 TIP3W3693 33.262 24.695 -18.376 1.00 0.00 WT1 H ATOM 5519 OH2 TIP3W3698 28.479 29.748 -14.701 1.00 0.00 WT1 O ATOM 5520 H1 TIP3W3698 28.432 30.532 -15.318 1.00 0.00 WT1 H ATOM 5521 H2 TIP3W3698 28.071 29.098 -15.313 1.00 0.00 WT1 H ATOM 5522 OH2 TIP3W3709 41.293 29.008 16.075 1.00 0.00 WT1 O ATOM 5523 H1 TIP3W3709 41.136 28.129 16.374 1.00 0.00 WT1 H ATOM 5524 H2 TIP3W3709 40.737 29.554 16.599 1.00 0.00 WT1 H ATOM 5525 OH2 TIP3W3710 44.059 22.001 10.623 1.00 0.00 WT1 O ATOM 5526 H1 TIP3W3710 43.442 21.511 11.169 1.00 0.00 WT1 H ATOM 5527 H2 TIP3W3710 43.824 21.780 9.756 1.00 0.00 WT1 H ATOM 5528 OH2 TIP3W3718 23.954 23.566 -21.271 1.00 0.00 WT1 O ATOM 5529 H1 TIP3W3718 24.067 24.105 -20.429 1.00 0.00 WT1 H ATOM 5530 H2 TIP3W3718 24.867 23.311 -21.505 1.00 0.00 WT1 H ATOM 5531 OH2 TIP3W3719 36.376 31.594 -19.241 1.00 0.00 WT1 O ATOM 5532 H1 TIP3W3719 36.163 31.737 -18.284 1.00 0.00 WT1 H ATOM 5533 H2 TIP3W3719 35.456 31.565 -19.695 1.00 0.00 WT1 H ATOM 5534 OH2 TIP3W3726 33.188 23.808 19.646 1.00 0.00 WT1 O ATOM 5535 H1 TIP3W3726 33.362 24.414 18.808 1.00 0.00 WT1 H ATOM 5536 H2 TIP3W3726 34.068 23.357 19.731 1.00 0.00 WT1 H ATOM 5537 OH2 TIP3W3730 38.744 34.597 16.704 1.00 0.00 WT1 O ATOM 5538 H1 TIP3W3730 39.611 34.468 17.053 1.00 0.00 WT1 H ATOM 5539 H2 TIP3W3730 38.413 35.281 17.288 1.00 0.00 WT1 H ATOM 5540 OH2 TIP3W3732 37.938 26.314 19.882 1.00 0.00 WT1 O ATOM 5541 H1 TIP3W3732 38.328 25.959 20.659 1.00 0.00 WT1 H ATOM 5542 H2 TIP3W3732 37.426 27.086 20.129 1.00 0.00 WT1 H ATOM 5543 OH2 TIP3W3736 19.470 14.887 16.034 1.00 0.00 WT1 O ATOM 5544 H1 TIP3W3736 20.159 14.321 16.464 1.00 0.00 WT1 H ATOM 5545 H2 TIP3W3736 19.982 15.391 15.400 1.00 0.00 WT1 H ATOM 5546 OH2 TIP3W3737 22.160 37.164 -18.493 1.00 0.00 WT1 O ATOM 5547 H1 TIP3W3737 21.653 37.935 -18.827 1.00 0.00 WT1 H ATOM 5548 H2 TIP3W3737 21.509 36.454 -18.591 1.00 0.00 WT1 H ATOM 5549 OH2 TIP3W3748 39.297 49.306 13.677 1.00 0.00 WT1 O ATOM 5550 H1 TIP3W3748 39.381 49.802 14.483 1.00 0.00 WT1 H ATOM 5551 H2 TIP3W3748 39.813 48.524 13.810 1.00 0.00 WT1 H ATOM 5552 OH2 TIP3W3751 40.498 16.972 17.232 1.00 0.00 WT1 O ATOM 5553 H1 TIP3W3751 41.039 16.749 18.011 1.00 0.00 WT1 H ATOM 5554 H2 TIP3W3751 39.596 16.887 17.532 1.00 0.00 WT1 H ATOM 5555 OH2 TIP3W3752 20.684 34.073 17.904 1.00 0.00 WT1 O ATOM 5556 H1 TIP3W3752 19.833 33.942 18.405 1.00 0.00 WT1 H ATOM 5557 H2 TIP3W3752 20.997 33.184 17.593 1.00 0.00 WT1 H ATOM 5558 OH2 TIP3W3753 19.422 28.351 16.458 1.00 0.00 WT1 O ATOM 5559 H1 TIP3W3753 20.202 28.428 15.795 1.00 0.00 WT1 H ATOM 5560 H2 TIP3W3753 19.869 28.140 17.348 1.00 0.00 WT1 H ATOM 5561 OH2 TIP3W3757 38.284 21.378 -19.623 1.00 0.00 WT1 O ATOM 5562 H1 TIP3W3757 39.199 21.742 -19.673 1.00 0.00 WT1 H ATOM 5563 H2 TIP3W3757 38.123 21.375 -18.684 1.00 0.00 WT1 H ATOM 5564 OH2 TIP3W3758 32.217 38.090 -19.706 1.00 0.00 WT1 O ATOM 5565 H1 TIP3W3758 33.002 37.608 -19.307 1.00 0.00 WT1 H ATOM 5566 H2 TIP3W3758 32.639 38.879 -20.043 1.00 0.00 WT1 H ATOM 5567 OH2 TIP3W3762 37.271 34.647 -19.034 1.00 0.00 WT1 O ATOM 5568 H1 TIP3W3762 37.545 34.522 -18.111 1.00 0.00 WT1 H ATOM 5569 H2 TIP3W3762 36.301 34.362 -19.062 1.00 0.00 WT1 H ATOM 5570 OH2 TIP3W3763 31.809 42.954 -10.947 1.00 0.00 WT1 O ATOM 5571 H1 TIP3W3763 31.478 42.492 -10.170 1.00 0.00 WT1 H ATOM 5572 H2 TIP3W3763 32.029 43.789 -10.601 1.00 0.00 WT1 H ATOM 5573 OH2 TIP3W3765 37.644 48.052 -6.434 1.00 0.00 WT1 O ATOM 5574 H1 TIP3W3765 37.695 48.614 -7.304 1.00 0.00 WT1 H ATOM 5575 H2 TIP3W3765 38.443 48.200 -5.977 1.00 0.00 WT1 H ATOM 5576 OH2 TIP3W3767 29.506 36.483 9.948 1.00 0.00 WT1 O ATOM 5577 H1 TIP3W3767 30.366 36.675 10.306 1.00 0.00 WT1 H ATOM 5578 H2 TIP3W3767 29.286 35.650 10.471 1.00 0.00 WT1 H ATOM 5579 OH2 TIP3W3768 22.307 48.413 9.066 1.00 0.00 WT1 O ATOM 5580 H1 TIP3W3768 22.654 48.556 9.983 1.00 0.00 WT1 H ATOM 5581 H2 TIP3W3768 22.777 49.160 8.582 1.00 0.00 WT1 H ATOM 5582 OH2 TIP3W3769 28.346 45.290 14.667 1.00 0.00 WT1 O ATOM 5583 H1 TIP3W3769 28.685 44.416 14.488 1.00 0.00 WT1 H ATOM 5584 H2 TIP3W3769 27.378 45.243 14.508 1.00 0.00 WT1 H ATOM 5585 OH2 TIP3W3771 35.124 33.840 13.602 1.00 0.00 WT1 O ATOM 5586 H1 TIP3W3771 35.301 34.368 12.864 1.00 0.00 WT1 H ATOM 5587 H2 TIP3W3771 35.652 34.301 14.239 1.00 0.00 WT1 H ATOM 5588 OH2 TIP3W3776 24.538 36.533 -19.992 1.00 0.00 WT1 O ATOM 5589 H1 TIP3W3776 23.681 36.889 -19.698 1.00 0.00 WT1 H ATOM 5590 H2 TIP3W3776 24.449 35.577 -20.131 1.00 0.00 WT1 H ATOM 5591 OH2 TIP3W3779 30.947 34.657 -20.790 1.00 0.00 WT1 O ATOM 5592 H1 TIP3W3779 31.808 34.822 -21.201 1.00 0.00 WT1 H ATOM 5593 H2 TIP3W3779 30.327 34.598 -21.539 1.00 0.00 WT1 H ATOM 5594 OH2 TIP3W3783 32.139 47.198 -8.534 1.00 0.00 WT1 O ATOM 5595 H1 TIP3W3783 32.931 46.778 -8.076 1.00 0.00 WT1 H ATOM 5596 H2 TIP3W3783 31.945 46.605 -9.244 1.00 0.00 WT1 H ATOM 5597 OH2 TIP3W3785 26.336 39.894 -20.290 1.00 0.00 WT1 O ATOM 5598 H1 TIP3W3785 25.999 40.443 -19.584 1.00 0.00 WT1 H ATOM 5599 H2 TIP3W3785 26.956 40.578 -20.738 1.00 0.00 WT1 H ATOM 5600 OH2 TIP3W3786 42.902 37.389 -6.670 1.00 0.00 WT1 O ATOM 5601 H1 TIP3W3786 42.395 37.052 -5.896 1.00 0.00 WT1 H ATOM 5602 H2 TIP3W3786 43.768 37.086 -6.313 1.00 0.00 WT1 H ATOM 5603 OH2 TIP3W3789 32.819 34.214 11.891 1.00 0.00 WT1 O ATOM 5604 H1 TIP3W3789 33.535 33.668 12.191 1.00 0.00 WT1 H ATOM 5605 H2 TIP3W3789 32.220 34.438 12.706 1.00 0.00 WT1 H ATOM 5606 OH2 TIP3W3791 35.911 42.424 21.655 1.00 0.00 WT1 O ATOM 5607 H1 TIP3W3791 35.867 43.400 21.765 1.00 0.00 WT1 H ATOM 5608 H2 TIP3W3791 36.704 42.394 21.156 1.00 0.00 WT1 H ATOM 5609 OH2 TIP3W3793 38.048 34.134 14.042 1.00 0.00 WT1 O ATOM 5610 H1 TIP3W3793 38.185 34.270 14.966 1.00 0.00 WT1 H ATOM 5611 H2 TIP3W3793 38.997 33.888 13.668 1.00 0.00 WT1 H ATOM 5612 OH2 TIP3W3794 35.707 48.857 17.857 1.00 0.00 WT1 O ATOM 5613 H1 TIP3W3794 34.957 49.457 17.889 1.00 0.00 WT1 H ATOM 5614 H2 TIP3W3794 35.789 48.607 16.934 1.00 0.00 WT1 H ATOM 5615 OH2 TIP3W3798 30.113 40.802 -20.596 1.00 0.00 WT1 O ATOM 5616 H1 TIP3W3798 30.830 41.268 -20.107 1.00 0.00 WT1 H ATOM 5617 H2 TIP3W3798 29.360 41.056 -20.064 1.00 0.00 WT1 H ATOM 5618 OH2 TIP3W3801 39.279 35.179 -21.279 1.00 0.00 WT1 O ATOM 5619 H1 TIP3W3801 39.132 36.132 -21.104 1.00 0.00 WT1 H ATOM 5620 H2 TIP3W3801 38.842 34.751 -20.563 1.00 0.00 WT1 H ATOM 5621 OH2 TIP3W3802 34.563 47.370 -10.973 1.00 0.00 WT1 O ATOM 5622 H1 TIP3W3802 33.612 47.187 -10.787 1.00 0.00 WT1 H ATOM 5623 H2 TIP3W3802 34.856 47.751 -10.123 1.00 0.00 WT1 H ATOM 5624 OH2 TIP3W3804 40.475 40.952 -10.271 1.00 0.00 WT1 O ATOM 5625 H1 TIP3W3804 41.089 41.576 -10.678 1.00 0.00 WT1 H ATOM 5626 H2 TIP3W3804 40.922 40.107 -10.159 1.00 0.00 WT1 H ATOM 5627 OH2 TIP3W3805 38.130 44.667 -18.418 1.00 0.00 WT1 O ATOM 5628 H1 TIP3W3805 38.779 44.926 -17.832 1.00 0.00 WT1 H ATOM 5629 H2 TIP3W3805 37.419 45.273 -18.152 1.00 0.00 WT1 H ATOM 5630 OH2 TIP3W3806 44.102 47.459 -6.339 1.00 0.00 WT1 O ATOM 5631 H1 TIP3W3806 43.415 47.341 -5.649 1.00 0.00 WT1 H ATOM 5632 H2 TIP3W3806 43.749 46.818 -6.962 1.00 0.00 WT1 H ATOM 5633 OH2 TIP3W3807 34.441 40.547 -9.701 1.00 0.00 WT1 O ATOM 5634 H1 TIP3W3807 35.204 40.990 -9.258 1.00 0.00 WT1 H ATOM 5635 H2 TIP3W3807 34.721 40.431 -10.587 1.00 0.00 WT1 H ATOM 5636 OH2 TIP3W3809 32.205 46.096 -11.402 1.00 0.00 WT1 O ATOM 5637 H1 TIP3W3809 32.890 45.613 -11.823 1.00 0.00 WT1 H ATOM 5638 H2 TIP3W3809 31.503 46.162 -12.123 1.00 0.00 WT1 H ATOM 5639 OH2 TIP3W3810 31.423 40.336 9.727 1.00 0.00 WT1 O ATOM 5640 H1 TIP3W3810 32.049 40.522 9.013 1.00 0.00 WT1 H ATOM 5641 H2 TIP3W3810 31.736 39.445 10.025 1.00 0.00 WT1 H ATOM 5642 OH2 TIP3W3811 27.410 40.936 13.137 1.00 0.00 WT1 O ATOM 5643 H1 TIP3W3811 27.331 40.005 13.031 1.00 0.00 WT1 H ATOM 5644 H2 TIP3W3811 27.079 41.256 12.286 1.00 0.00 WT1 H ATOM 5645 OH2 TIP3W3812 35.296 45.242 10.665 1.00 0.00 WT1 O ATOM 5646 H1 TIP3W3812 34.812 44.438 10.382 1.00 0.00 WT1 H ATOM 5647 H2 TIP3W3812 34.911 45.466 11.559 1.00 0.00 WT1 H ATOM 5648 OH2 TIP3W3813 23.624 46.037 9.536 1.00 0.00 WT1 O ATOM 5649 H1 TIP3W3813 23.070 46.803 9.463 1.00 0.00 WT1 H ATOM 5650 H2 TIP3W3813 24.199 46.244 10.327 1.00 0.00 WT1 H ATOM 5651 OH2 TIP3W3815 25.068 46.110 16.150 1.00 0.00 WT1 O ATOM 5652 H1 TIP3W3815 25.623 45.402 16.369 1.00 0.00 WT1 H ATOM 5653 H2 TIP3W3815 24.982 46.097 15.144 1.00 0.00 WT1 H ATOM 5654 OH2 TIP3W3821 37.320 25.242 -14.458 1.00 0.00 WT1 O ATOM 5655 H1 TIP3W3821 37.292 26.208 -14.372 1.00 0.00 WT1 H ATOM 5656 H2 TIP3W3821 36.657 24.944 -13.839 1.00 0.00 WT1 H ATOM 5657 OH2 TIP3W3823 36.892 49.141 -18.200 1.00 0.00 WT1 O ATOM 5658 H1 TIP3W3823 36.245 48.931 -18.866 1.00 0.00 WT1 H ATOM 5659 H2 TIP3W3823 36.629 50.048 -17.903 1.00 0.00 WT1 H ATOM 5660 OH2 TIP3W3826 39.544 47.710 -18.657 1.00 0.00 WT1 O ATOM 5661 H1 TIP3W3826 39.546 47.761 -17.685 1.00 0.00 WT1 H ATOM 5662 H2 TIP3W3826 38.950 48.484 -18.801 1.00 0.00 WT1 H ATOM 5663 OH2 TIP3W3827 32.185 40.617 -12.304 1.00 0.00 WT1 O ATOM 5664 H1 TIP3W3827 32.429 40.778 -13.249 1.00 0.00 WT1 H ATOM 5665 H2 TIP3W3827 32.209 41.538 -11.967 1.00 0.00 WT1 H ATOM 5666 OH2 TIP3W3828 37.984 42.783 -11.085 1.00 0.00 WT1 O ATOM 5667 H1 TIP3W3828 37.063 43.075 -11.206 1.00 0.00 WT1 H ATOM 5668 H2 TIP3W3828 38.016 42.508 -10.127 1.00 0.00 WT1 H ATOM 5669 OH2 TIP3W3830 25.618 39.182 21.139 1.00 0.00 WT1 O ATOM 5670 H1 TIP3W3830 26.280 38.548 21.442 1.00 0.00 WT1 H ATOM 5671 H2 TIP3W3830 24.873 38.600 21.099 1.00 0.00 WT1 H ATOM 5672 OH2 TIP3W3831 40.824 40.008 6.234 1.00 0.00 WT1 O ATOM 5673 H1 TIP3W3831 41.565 39.361 6.307 1.00 0.00 WT1 H ATOM 5674 H2 TIP3W3831 41.176 40.823 5.875 1.00 0.00 WT1 H ATOM 5675 OH2 TIP3W3832 16.619 44.191 12.760 1.00 0.00 WT1 O ATOM 5676 H1 TIP3W3832 15.949 43.608 12.319 1.00 0.00 WT1 H ATOM 5677 H2 TIP3W3832 16.036 44.812 13.218 1.00 0.00 WT1 H ATOM 5678 OH2 TIP3W3835 30.505 40.788 16.152 1.00 0.00 WT1 O ATOM 5679 H1 TIP3W3835 30.665 39.850 15.845 1.00 0.00 WT1 H ATOM 5680 H2 TIP3W3835 31.436 40.913 16.573 1.00 0.00 WT1 H ATOM 5681 OH2 TIP3W3838 44.859 41.289 19.814 1.00 0.00 WT1 O ATOM 5682 H1 TIP3W3838 44.128 41.646 20.342 1.00 0.00 WT1 H ATOM 5683 H2 TIP3W3838 44.610 41.502 18.910 1.00 0.00 WT1 H ATOM 5684 OH2 TIP3W3847 26.369 46.281 -12.521 1.00 0.00 WT1 O ATOM 5685 H1 TIP3W3847 26.118 45.306 -12.520 1.00 0.00 WT1 H ATOM 5686 H2 TIP3W3847 25.508 46.648 -12.759 1.00 0.00 WT1 H ATOM 5687 OH2 TIP3W3848 19.984 48.386 -11.130 1.00 0.00 WT1 O ATOM 5688 H1 TIP3W3848 19.302 48.656 -10.561 1.00 0.00 WT1 H ATOM 5689 H2 TIP3W3848 20.153 49.177 -11.717 1.00 0.00 WT1 H ATOM 5690 OH2 TIP3W3850 38.762 38.436 5.896 1.00 0.00 WT1 O ATOM 5691 H1 TIP3W3850 39.242 38.502 5.086 1.00 0.00 WT1 H ATOM 5692 H2 TIP3W3850 39.092 39.216 6.411 1.00 0.00 WT1 H ATOM 5693 OH2 TIP3W3853 41.547 43.398 -3.846 1.00 0.00 WT1 O ATOM 5694 H1 TIP3W3853 41.054 43.651 -3.068 1.00 0.00 WT1 H ATOM 5695 H2 TIP3W3853 41.834 42.476 -3.585 1.00 0.00 WT1 H ATOM 5696 OH2 TIP3W3854 19.603 44.722 10.033 1.00 0.00 WT1 O ATOM 5697 H1 TIP3W3854 19.627 44.692 10.963 1.00 0.00 WT1 H ATOM 5698 H2 TIP3W3854 19.358 45.666 9.810 1.00 0.00 WT1 H ATOM 5699 OH2 TIP3W3855 30.191 48.049 7.767 1.00 0.00 WT1 O ATOM 5700 H1 TIP3W3855 29.416 47.578 8.110 1.00 0.00 WT1 H ATOM 5701 H2 TIP3W3855 30.929 47.518 8.117 1.00 0.00 WT1 H ATOM 5702 OH2 TIP3W3859 33.492 44.684 22.595 1.00 0.00 WT1 O ATOM 5703 H1 TIP3W3859 32.527 44.629 22.636 1.00 0.00 WT1 H ATOM 5704 H2 TIP3W3859 33.699 44.789 21.643 1.00 0.00 WT1 H ATOM 5705 OH2 TIP3W3861 24.773 49.973 20.476 1.00 0.00 WT1 O ATOM 5706 H1 TIP3W3861 24.527 49.236 21.094 1.00 0.00 WT1 H ATOM 5707 H2 TIP3W3861 25.459 50.491 21.011 1.00 0.00 WT1 H ATOM 5708 OH2 TIP3W3867 34.671 49.535 -9.101 1.00 0.00 WT1 O ATOM 5709 H1 TIP3W3867 33.776 49.968 -9.120 1.00 0.00 WT1 H ATOM 5710 H2 TIP3W3867 34.700 48.979 -8.282 1.00 0.00 WT1 H ATOM 5711 OH2 TIP3W3870 19.943 48.676 6.421 1.00 0.00 WT1 O ATOM 5712 H1 TIP3W3870 19.659 48.024 5.748 1.00 0.00 WT1 H ATOM 5713 H2 TIP3W3870 20.502 49.194 5.894 1.00 0.00 WT1 H ATOM 5714 OH2 TIP3W3871 15.592 49.571 3.297 1.00 0.00 WT1 O ATOM 5715 H1 TIP3W3871 14.713 49.732 3.715 1.00 0.00 WT1 H ATOM 5716 H2 TIP3W3871 15.489 50.152 2.489 1.00 0.00 WT1 H ATOM 5717 OH2 TIP3W3874 28.111 46.985 8.906 1.00 0.00 WT1 O ATOM 5718 H1 TIP3W3874 27.268 47.487 8.947 1.00 0.00 WT1 H ATOM 5719 H2 TIP3W3874 27.897 46.059 8.693 1.00 0.00 WT1 H ATOM 5720 OH2 TIP3W3875 46.020 45.265 -9.066 1.00 0.00 WT1 O ATOM 5721 H1 TIP3W3875 46.871 45.057 -9.497 1.00 0.00 WT1 H ATOM 5722 H2 TIP3W3875 45.776 46.104 -9.485 1.00 0.00 WT1 H ATOM 5723 OH2 TIP3W3876 31.940 49.230 12.965 1.00 0.00 WT1 O ATOM 5724 H1 TIP3W3876 32.138 49.122 12.027 1.00 0.00 WT1 H ATOM 5725 H2 TIP3W3876 31.674 48.361 13.257 1.00 0.00 WT1 H ATOM 5726 OH2 TIP3W3878 32.649 45.634 19.422 1.00 0.00 WT1 O ATOM 5727 H1 TIP3W3878 32.468 46.582 19.407 1.00 0.00 WT1 H ATOM 5728 H2 TIP3W3878 33.478 45.545 18.969 1.00 0.00 WT1 H ATOM 5729 OH2 TIP3W3882 19.000 47.485 -20.556 1.00 0.00 WT1 O ATOM 5730 H1 TIP3W3882 18.462 48.226 -20.127 1.00 0.00 WT1 H ATOM 5731 H2 TIP3W3882 19.879 47.867 -20.629 1.00 0.00 WT1 H ATOM 5732 OH2 TIP3W3886 47.654 45.291 -17.732 1.00 0.00 WT1 O ATOM 5733 H1 TIP3W3886 48.221 45.792 -17.168 1.00 0.00 WT1 H ATOM 5734 H2 TIP3W3886 48.029 44.396 -17.785 1.00 0.00 WT1 H ATOM 5735 OH2 TIP3W3888 33.605 44.640 -14.262 1.00 0.00 WT1 O ATOM 5736 H1 TIP3W3888 34.366 45.184 -14.358 1.00 0.00 WT1 H ATOM 5737 H2 TIP3W3888 33.773 43.993 -14.950 1.00 0.00 WT1 H ATOM 5738 OH2 TIP3W3891 41.939 46.655 -0.387 1.00 0.00 WT1 O ATOM 5739 H1 TIP3W3891 42.679 46.449 -0.984 1.00 0.00 WT1 H ATOM 5740 H2 TIP3W3891 41.345 45.846 -0.297 1.00 0.00 WT1 H ATOM 5741 OH2 TIP3W3894 45.503 50.570 7.979 1.00 0.00 WT1 O ATOM 5742 H1 TIP3W3894 45.194 50.583 7.130 1.00 0.00 WT1 H ATOM 5743 H2 TIP3W3894 44.713 50.476 8.510 1.00 0.00 WT1 H ATOM 5744 OH2 TIP3W3896 50.506 50.465 17.315 1.00 0.00 WT1 O ATOM 5745 H1 TIP3W3896 49.670 50.274 16.825 1.00 0.00 WT1 H ATOM 5746 H2 TIP3W3896 50.841 49.669 17.516 1.00 0.00 WT1 H ATOM 5747 OH2 TIP3W3898 14.142 49.616 18.840 1.00 0.00 WT1 O ATOM 5748 H1 TIP3W3898 13.445 49.033 19.320 1.00 0.00 WT1 H ATOM 5749 H2 TIP3W3898 14.872 49.035 18.669 1.00 0.00 WT1 H ATOM 5750 OH2 TIP3W3899 31.519 47.288 5.334 1.00 0.00 WT1 O ATOM 5751 H1 TIP3W3899 31.334 46.998 6.253 1.00 0.00 WT1 H ATOM 5752 H2 TIP3W3899 31.351 46.523 4.710 1.00 0.00 WT1 H ATOM 5753 OH2 TIP3W3903 14.689 47.951 13.697 1.00 0.00 WT1 O ATOM 5754 H1 TIP3W3903 14.072 48.639 13.971 1.00 0.00 WT1 H ATOM 5755 H2 TIP3W3903 14.894 47.514 14.474 1.00 0.00 WT1 H ATOM 5756 OH2 TIP3W3917 29.732 48.859 16.841 1.00 0.00 WT1 O ATOM 5757 H1 TIP3W3917 29.153 49.612 16.583 1.00 0.00 WT1 H ATOM 5758 H2 TIP3W3917 29.015 48.388 17.255 1.00 0.00 WT1 H ATOM 5759 OH2 TIP3W3919 27.313 0.382 19.197 1.00 0.00 WT1 O ATOM 5760 H1 TIP3W3919 27.358 -0.184 18.373 1.00 0.00 WT1 H ATOM 5761 H2 TIP3W3919 27.738 1.146 18.882 1.00 0.00 WT1 H ATOM 5762 OH2 TIP3W3925 26.877 -0.670 -6.705 1.00 0.00 WT1 O ATOM 5763 H1 TIP3W3925 27.633 -0.535 -6.126 1.00 0.00 WT1 H ATOM 5764 H2 TIP3W3925 26.485 0.272 -6.709 1.00 0.00 WT1 H ATOM 5765 OH2 TIP3W3931 35.157 7.664 -14.845 1.00 0.00 WT1 O ATOM 5766 H1 TIP3W3931 34.846 8.069 -14.009 1.00 0.00 WT1 H ATOM 5767 H2 TIP3W3931 36.070 7.482 -14.525 1.00 0.00 WT1 H ATOM 5768 OH2 TIP3W3932 35.145 47.360 -14.704 1.00 0.00 WT1 O ATOM 5769 H1 TIP3W3932 35.946 46.979 -14.312 1.00 0.00 WT1 H ATOM 5770 H2 TIP3W3932 35.210 48.298 -14.522 1.00 0.00 WT1 H ATOM 5771 OH2 TIP3W3933 24.830 4.273 -10.369 1.00 0.00 WT1 O ATOM 5772 H1 TIP3W3933 24.060 3.729 -10.074 1.00 0.00 WT1 H ATOM 5773 H2 TIP3W3933 24.488 4.779 -11.196 1.00 0.00 WT1 H ATOM 5774 OH2 TIP3W3935 22.156 7.610 4.112 1.00 0.00 WT1 O ATOM 5775 H1 TIP3W3935 22.065 6.815 3.576 1.00 0.00 WT1 H ATOM 5776 H2 TIP3W3935 23.014 7.930 3.930 1.00 0.00 WT1 H ATOM 5777 OH2 TIP3W3938 32.389 8.259 17.435 1.00 0.00 WT1 O ATOM 5778 H1 TIP3W3938 31.652 8.793 17.132 1.00 0.00 WT1 H ATOM 5779 H2 TIP3W3938 32.885 8.172 16.592 1.00 0.00 WT1 H ATOM 5780 OH2 TIP3W3951 25.279 -0.305 -11.969 1.00 0.00 WT1 O ATOM 5781 H1 TIP3W3951 25.824 0.410 -11.552 1.00 0.00 WT1 H ATOM 5782 H2 TIP3W3951 24.758 0.203 -12.616 1.00 0.00 WT1 H ATOM 5783 OH2 TIP3W3955 21.660 48.792 -14.247 1.00 0.00 WT1 O ATOM 5784 H1 TIP3W3955 22.159 48.609 -13.473 1.00 0.00 WT1 H ATOM 5785 H2 TIP3W3955 22.142 49.586 -14.642 1.00 0.00 WT1 H ATOM 5786 OH2 TIP3W3956 25.356 47.843 -1.595 1.00 0.00 WT1 O ATOM 5787 H1 TIP3W3956 25.333 48.054 -2.514 1.00 0.00 WT1 H ATOM 5788 H2 TIP3W3956 26.328 47.983 -1.318 1.00 0.00 WT1 H ATOM 5789 OH2 TIP3W3973 48.923 8.312 -2.844 1.00 0.00 WT1 O ATOM 5790 H1 TIP3W3973 49.602 8.819 -3.326 1.00 0.00 WT1 H ATOM 5791 H2 TIP3W3973 48.111 8.819 -3.156 1.00 0.00 WT1 H ATOM 5792 OH2 TIP3W3974 32.948 3.668 -2.662 1.00 0.00 WT1 O ATOM 5793 H1 TIP3W3974 32.913 3.408 -3.583 1.00 0.00 WT1 H ATOM 5794 H2 TIP3W3974 32.164 4.218 -2.577 1.00 0.00 WT1 H ATOM 5795 OH2 TIP3W3975 35.967 5.983 -12.125 1.00 0.00 WT1 O ATOM 5796 H1 TIP3W3975 35.412 5.469 -12.749 1.00 0.00 WT1 H ATOM 5797 H2 TIP3W3975 35.586 6.880 -12.012 1.00 0.00 WT1 H ATOM 5798 OH2 TIP3W3976 21.827 10.428 -8.784 1.00 0.00 WT1 O ATOM 5799 H1 TIP3W3976 21.950 10.343 -9.755 1.00 0.00 WT1 H ATOM 5800 H2 TIP3W3976 21.599 11.351 -8.664 1.00 0.00 WT1 H ATOM 5801 OH2 TIP3W3977 13.210 5.880 -10.504 1.00 0.00 WT1 O ATOM 5802 H1 TIP3W3977 13.049 5.276 -9.716 1.00 0.00 WT1 H ATOM 5803 H2 TIP3W3977 13.865 6.573 -10.263 1.00 0.00 WT1 H ATOM 5804 OH2 TIP3W3982 30.395 0.807 15.128 1.00 0.00 WT1 O ATOM 5805 H1 TIP3W3982 31.222 0.865 14.622 1.00 0.00 WT1 H ATOM 5806 H2 TIP3W3982 30.118 -0.086 14.853 1.00 0.00 WT1 H ATOM 5807 OH2 TIP3W3983 35.212 1.844 19.607 1.00 0.00 WT1 O ATOM 5808 H1 TIP3W3983 35.006 1.785 20.524 1.00 0.00 WT1 H ATOM 5809 H2 TIP3W3983 34.648 2.598 19.228 1.00 0.00 WT1 H ATOM 5810 OH2 TIP3W3986 32.130 1.043 -20.860 1.00 0.00 WT1 O ATOM 5811 H1 TIP3W3986 32.835 1.739 -20.907 1.00 0.00 WT1 H ATOM 5812 H2 TIP3W3986 31.503 1.569 -20.295 1.00 0.00 WT1 H ATOM 5813 OH2 TIP3W3991 21.520 1.616 -5.022 1.00 0.00 WT1 O ATOM 5814 H1 TIP3W3991 21.085 2.193 -5.702 1.00 0.00 WT1 H ATOM 5815 H2 TIP3W3991 21.991 2.299 -4.539 1.00 0.00 WT1 H ATOM 5816 OH2 TIP3W3992 33.124 5.476 -14.420 1.00 0.00 WT1 O ATOM 5817 H1 TIP3W3992 32.895 6.407 -14.235 1.00 0.00 WT1 H ATOM 5818 H2 TIP3W3992 32.238 5.145 -14.607 1.00 0.00 WT1 H ATOM 5819 OH2 TIP3W3993 44.163 9.932 -11.298 1.00 0.00 WT1 O ATOM 5820 H1 TIP3W3993 44.639 9.808 -10.458 1.00 0.00 WT1 H ATOM 5821 H2 TIP3W3993 44.118 10.921 -11.443 1.00 0.00 WT1 H ATOM 5822 OH2 TIP3W3996 24.261 5.003 -17.488 1.00 0.00 WT1 O ATOM 5823 H1 TIP3W3996 23.906 5.972 -17.335 1.00 0.00 WT1 H ATOM 5824 H2 TIP3W3996 23.864 4.501 -16.766 1.00 0.00 WT1 H ATOM 5825 OH2 TIP3W3999 34.171 1.706 16.605 1.00 0.00 WT1 O ATOM 5826 H1 TIP3W3999 34.143 0.738 16.601 1.00 0.00 WT1 H ATOM 5827 H2 TIP3W3999 34.898 1.884 16.007 1.00 0.00 WT1 H ATOM 5828 OH2 TIP3W4002 40.838 4.969 16.996 1.00 0.00 WT1 O ATOM 5829 H1 TIP3W4002 40.844 4.533 16.142 1.00 0.00 WT1 H ATOM 5830 H2 TIP3W4002 41.490 5.702 16.805 1.00 0.00 WT1 H ATOM 5831 OH2 TIP3W4005 41.876 2.628 18.247 1.00 0.00 WT1 O ATOM 5832 H1 TIP3W4005 41.125 2.109 18.587 1.00 0.00 WT1 H ATOM 5833 H2 TIP3W4005 41.568 3.565 18.154 1.00 0.00 WT1 H ATOM 5834 OH2 TIP3W4008 36.732 11.675 13.994 1.00 0.00 WT1 O ATOM 5835 H1 TIP3W4008 36.298 10.882 14.385 1.00 0.00 WT1 H ATOM 5836 H2 TIP3W4008 37.726 11.530 14.101 1.00 0.00 WT1 H ATOM 5837 OH2 TIP3W4009 25.644 5.792 -4.924 1.00 0.00 WT1 O ATOM 5838 H1 TIP3W4009 25.343 5.013 -4.355 1.00 0.00 WT1 H ATOM 5839 H2 TIP3W4009 26.447 6.053 -4.550 1.00 0.00 WT1 H ATOM 5840 OH2 TIP3W4012 13.805 12.986 -19.815 1.00 0.00 WT1 O ATOM 5841 H1 TIP3W4012 14.664 12.773 -20.246 1.00 0.00 WT1 H ATOM 5842 H2 TIP3W4012 13.475 12.136 -19.695 1.00 0.00 WT1 H ATOM 5843 OH2 TIP3W4014 35.184 -0.364 -10.889 1.00 0.00 WT1 O ATOM 5844 H1 TIP3W4014 34.705 -1.213 -10.748 1.00 0.00 WT1 H ATOM 5845 H2 TIP3W4014 34.600 0.115 -11.458 1.00 0.00 WT1 H ATOM 5846 OH2 TIP3W4015 29.674 -0.165 -14.660 1.00 0.00 WT1 O ATOM 5847 H1 TIP3W4015 28.975 -0.466 -14.004 1.00 0.00 WT1 H ATOM 5848 H2 TIP3W4015 30.136 -0.952 -14.749 1.00 0.00 WT1 H ATOM 5849 OH2 TIP3W4017 27.375 2.873 -8.168 1.00 0.00 WT1 O ATOM 5850 H1 TIP3W4017 28.004 3.658 -8.231 1.00 0.00 WT1 H ATOM 5851 H2 TIP3W4017 27.584 2.451 -9.009 1.00 0.00 WT1 H ATOM 5852 OH2 TIP3W4019 25.886 9.638 13.455 1.00 0.00 WT1 O ATOM 5853 H1 TIP3W4019 26.166 10.445 13.017 1.00 0.00 WT1 H ATOM 5854 H2 TIP3W4019 25.167 9.907 14.022 1.00 0.00 WT1 H ATOM 5855 OH2 TIP3W4020 22.704 20.667 14.127 1.00 0.00 WT1 O ATOM 5856 H1 TIP3W4020 22.438 20.299 14.932 1.00 0.00 WT1 H ATOM 5857 H2 TIP3W4020 23.557 21.200 14.333 1.00 0.00 WT1 H ATOM 5858 OH2 TIP3W4022 39.012 6.755 -2.712 1.00 0.00 WT1 O ATOM 5859 H1 TIP3W4022 38.696 6.050 -2.199 1.00 0.00 WT1 H ATOM 5860 H2 TIP3W4022 38.338 6.788 -3.483 1.00 0.00 WT1 H ATOM 5861 OH2 TIP3W4030 47.467 7.185 -14.305 1.00 0.00 WT1 O ATOM 5862 H1 TIP3W4030 46.995 6.954 -15.139 1.00 0.00 WT1 H ATOM 5863 H2 TIP3W4030 47.109 8.062 -14.084 1.00 0.00 WT1 H ATOM 5864 OH2 TIP3W4035 30.628 4.595 -14.446 1.00 0.00 WT1 O ATOM 5865 H1 TIP3W4035 30.401 3.932 -13.856 1.00 0.00 WT1 H ATOM 5866 H2 TIP3W4035 29.848 4.736 -15.021 1.00 0.00 WT1 H ATOM 5867 OH2 TIP3W4036 17.915 3.923 -2.514 1.00 0.00 WT1 O ATOM 5868 H1 TIP3W4036 17.968 3.097 -2.982 1.00 0.00 WT1 H ATOM 5869 H2 TIP3W4036 16.998 3.937 -2.278 1.00 0.00 WT1 H ATOM 5870 OH2 TIP3W4037 24.253 7.111 -20.703 1.00 0.00 WT1 O ATOM 5871 H1 TIP3W4037 24.018 6.161 -20.525 1.00 0.00 WT1 H ATOM 5872 H2 TIP3W4037 23.447 7.603 -20.589 1.00 0.00 WT1 H ATOM 5873 OH2 TIP3W4039 23.794 4.389 0.197 1.00 0.00 WT1 O ATOM 5874 H1 TIP3W4039 23.496 4.744 1.034 1.00 0.00 WT1 H ATOM 5875 H2 TIP3W4039 24.044 5.202 -0.349 1.00 0.00 WT1 H ATOM 5876 OH2 TIP3W4040 48.024 3.139 -1.063 1.00 0.00 WT1 O ATOM 5877 H1 TIP3W4040 47.191 3.628 -1.309 1.00 0.00 WT1 H ATOM 5878 H2 TIP3W4040 48.077 2.351 -1.681 1.00 0.00 WT1 H ATOM 5879 OH2 TIP3W4042 48.097 2.388 7.213 1.00 0.00 WT1 O ATOM 5880 H1 TIP3W4042 49.012 2.428 7.482 1.00 0.00 WT1 H ATOM 5881 H2 TIP3W4042 47.855 1.526 7.525 1.00 0.00 WT1 H ATOM 5882 OH2 TIP3W4046 29.778 9.529 16.596 1.00 0.00 WT1 O ATOM 5883 H1 TIP3W4046 29.602 10.424 16.343 1.00 0.00 WT1 H ATOM 5884 H2 TIP3W4046 29.057 8.975 16.235 1.00 0.00 WT1 H ATOM 5885 OH2 TIP3W4053 41.535 8.043 -14.939 1.00 0.00 WT1 O ATOM 5886 H1 TIP3W4053 41.277 7.341 -15.555 1.00 0.00 WT1 H ATOM 5887 H2 TIP3W4053 40.709 8.393 -14.580 1.00 0.00 WT1 H ATOM 5888 OH2 TIP3W4055 32.075 19.551 -20.940 1.00 0.00 WT1 O ATOM 5889 H1 TIP3W4055 31.501 19.529 -21.755 1.00 0.00 WT1 H ATOM 5890 H2 TIP3W4055 31.742 20.402 -20.546 1.00 0.00 WT1 H ATOM 5891 OH2 TIP3W4057 38.922 20.870 -14.779 1.00 0.00 WT1 O ATOM 5892 H1 TIP3W4057 38.804 20.387 -15.625 1.00 0.00 WT1 H ATOM 5893 H2 TIP3W4057 38.810 21.805 -15.030 1.00 0.00 WT1 H ATOM 5894 OH2 TIP3W4061 49.989 11.513 11.652 1.00 0.00 WT1 O ATOM 5895 H1 TIP3W4061 50.178 12.002 12.423 1.00 0.00 WT1 H ATOM 5896 H2 TIP3W4061 50.189 12.149 10.922 1.00 0.00 WT1 H ATOM 5897 OH2 TIP3W4062 33.261 0.013 6.686 1.00 0.00 WT1 O ATOM 5898 H1 TIP3W4062 34.161 0.407 6.671 1.00 0.00 WT1 H ATOM 5899 H2 TIP3W4062 33.109 -0.250 5.746 1.00 0.00 WT1 H ATOM 5900 OH2 TIP3W4063 33.708 20.311 20.410 1.00 0.00 WT1 O ATOM 5901 H1 TIP3W4063 32.775 20.610 20.322 1.00 0.00 WT1 H ATOM 5902 H2 TIP3W4063 33.652 20.156 21.331 1.00 0.00 WT1 H ATOM 5903 OH2 TIP3W4064 42.637 23.605 -3.479 1.00 0.00 WT1 O ATOM 5904 H1 TIP3W4064 43.156 24.061 -2.844 1.00 0.00 WT1 H ATOM 5905 H2 TIP3W4064 42.464 22.730 -3.191 1.00 0.00 WT1 H ATOM 5906 OH2 TIP3W4072 43.741 6.267 -13.993 1.00 0.00 WT1 O ATOM 5907 H1 TIP3W4072 44.407 6.517 -14.634 1.00 0.00 WT1 H ATOM 5908 H2 TIP3W4072 43.003 6.905 -14.101 1.00 0.00 WT1 H ATOM 5909 OH2 TIP3W4074 11.644 16.543 -14.704 1.00 0.00 WT1 O ATOM 5910 H1 TIP3W4074 11.881 16.960 -15.594 1.00 0.00 WT1 H ATOM 5911 H2 TIP3W4074 10.843 16.014 -14.909 1.00 0.00 WT1 H ATOM 5912 OH2 TIP3W4077 18.222 9.610 -4.411 1.00 0.00 WT1 O ATOM 5913 H1 TIP3W4077 18.223 9.502 -5.371 1.00 0.00 WT1 H ATOM 5914 H2 TIP3W4077 17.922 10.505 -4.276 1.00 0.00 WT1 H ATOM 5915 OH2 TIP3W4086 38.839 29.364 20.733 1.00 0.00 WT1 O ATOM 5916 H1 TIP3W4086 39.620 28.832 20.773 1.00 0.00 WT1 H ATOM 5917 H2 TIP3W4086 38.217 28.903 21.309 1.00 0.00 WT1 H ATOM 5918 OH2 TIP3W4088 31.937 35.271 21.169 1.00 0.00 WT1 O ATOM 5919 H1 TIP3W4088 31.980 34.794 21.984 1.00 0.00 WT1 H ATOM 5920 H2 TIP3W4088 32.243 36.107 21.404 1.00 0.00 WT1 H ATOM 5921 OH2 TIP3W4091 31.127 25.163 21.228 1.00 0.00 WT1 O ATOM 5922 H1 TIP3W4091 31.981 24.951 20.701 1.00 0.00 WT1 H ATOM 5923 H2 TIP3W4091 30.861 24.306 21.665 1.00 0.00 WT1 H ATOM 5924 OH2 TIP3W4093 36.610 29.072 -16.718 1.00 0.00 WT1 O ATOM 5925 H1 TIP3W4093 36.315 28.729 -17.537 1.00 0.00 WT1 H ATOM 5926 H2 TIP3W4093 36.224 29.945 -16.611 1.00 0.00 WT1 H ATOM 5927 OH2 TIP3W4097 26.285 28.706 -18.428 1.00 0.00 WT1 O ATOM 5928 H1 TIP3W4097 26.049 28.440 -17.552 1.00 0.00 WT1 H ATOM 5929 H2 TIP3W4097 26.077 29.704 -18.517 1.00 0.00 WT1 H ATOM 5930 OH2 TIP3W4098 38.295 10.890 -12.827 1.00 0.00 WT1 O ATOM 5931 H1 TIP3W4098 37.899 10.631 -11.976 1.00 0.00 WT1 H ATOM 5932 H2 TIP3W4098 38.627 10.078 -13.264 1.00 0.00 WT1 H ATOM 5933 OH2 TIP3W4101 44.631 24.269 -5.386 1.00 0.00 WT1 O ATOM 5934 H1 TIP3W4101 44.856 23.354 -5.062 1.00 0.00 WT1 H ATOM 5935 H2 TIP3W4101 43.777 24.424 -4.968 1.00 0.00 WT1 H ATOM 5936 OH2 TIP3W4106 35.874 11.257 17.881 1.00 0.00 WT1 O ATOM 5937 H1 TIP3W4106 35.114 11.261 18.467 1.00 0.00 WT1 H ATOM 5938 H2 TIP3W4106 35.617 11.864 17.165 1.00 0.00 WT1 H ATOM 5939 OH2 TIP3W4107 39.772 34.885 20.356 1.00 0.00 WT1 O ATOM 5940 H1 TIP3W4107 40.164 35.723 20.685 1.00 0.00 WT1 H ATOM 5941 H2 TIP3W4107 39.407 34.444 21.121 1.00 0.00 WT1 H ATOM 5942 OH2 TIP3W4109 32.321 13.301 18.819 1.00 0.00 WT1 O ATOM 5943 H1 TIP3W4109 32.909 12.561 19.121 1.00 0.00 WT1 H ATOM 5944 H2 TIP3W4109 31.452 13.137 19.231 1.00 0.00 WT1 H ATOM 5945 OH2 TIP3W4110 44.749 27.596 15.589 1.00 0.00 WT1 O ATOM 5946 H1 TIP3W4110 45.103 26.678 15.443 1.00 0.00 WT1 H ATOM 5947 H2 TIP3W4110 44.435 27.432 16.494 1.00 0.00 WT1 H ATOM 5948 OH2 TIP3W4119 47.846 30.247 -6.636 1.00 0.00 WT1 O ATOM 5949 H1 TIP3W4119 48.481 30.923 -6.265 1.00 0.00 WT1 H ATOM 5950 H2 TIP3W4119 47.216 30.131 -5.879 1.00 0.00 WT1 H ATOM 5951 OH2 TIP3W4120 43.182 28.735 -9.143 1.00 0.00 WT1 O ATOM 5952 H1 TIP3W4120 43.643 27.892 -8.975 1.00 0.00 WT1 H ATOM 5953 H2 TIP3W4120 43.675 29.168 -9.901 1.00 0.00 WT1 H ATOM 5954 OH2 TIP3W4124 35.235 28.659 19.260 1.00 0.00 WT1 O ATOM 5955 H1 TIP3W4124 35.892 29.441 19.191 1.00 0.00 WT1 H ATOM 5956 H2 TIP3W4124 35.021 28.480 18.378 1.00 0.00 WT1 H ATOM 5957 OH2 TIP3W4131 40.831 19.841 19.711 1.00 0.00 WT1 O ATOM 5958 H1 TIP3W4131 40.809 20.569 19.106 1.00 0.00 WT1 H ATOM 5959 H2 TIP3W4131 39.942 19.600 19.793 1.00 0.00 WT1 H ATOM 5960 OH2 TIP3W4138 32.354 16.970 -19.272 1.00 0.00 WT1 O ATOM 5961 H1 TIP3W4138 32.237 17.700 -20.019 1.00 0.00 WT1 H ATOM 5962 H2 TIP3W4138 31.469 16.747 -18.979 1.00 0.00 WT1 H ATOM 5963 OH2 TIP3W4141 26.030 19.558 -13.741 1.00 0.00 WT1 O ATOM 5964 H1 TIP3W4141 26.457 19.061 -13.014 1.00 0.00 WT1 H ATOM 5965 H2 TIP3W4141 26.796 19.943 -14.172 1.00 0.00 WT1 H ATOM 5966 OH2 TIP3W4142 43.580 24.145 -19.237 1.00 0.00 WT1 O ATOM 5967 H1 TIP3W4142 43.048 23.425 -19.580 1.00 0.00 WT1 H ATOM 5968 H2 TIP3W4142 42.939 24.893 -19.409 1.00 0.00 WT1 H ATOM 5969 OH2 TIP3W4145 28.447 12.447 19.032 1.00 0.00 WT1 O ATOM 5970 H1 TIP3W4145 29.031 11.673 18.939 1.00 0.00 WT1 H ATOM 5971 H2 TIP3W4145 28.440 12.749 18.078 1.00 0.00 WT1 H ATOM 5972 OH2 TIP3W4148 35.163 30.213 15.088 1.00 0.00 WT1 O ATOM 5973 H1 TIP3W4148 34.677 31.081 15.030 1.00 0.00 WT1 H ATOM 5974 H2 TIP3W4148 36.017 30.520 15.471 1.00 0.00 WT1 H ATOM 5975 OH2 TIP3W4151 38.561 21.446 12.487 1.00 0.00 WT1 O ATOM 5976 H1 TIP3W4151 38.457 20.496 12.465 1.00 0.00 WT1 H ATOM 5977 H2 TIP3W4151 37.687 21.820 12.329 1.00 0.00 WT1 H ATOM 5978 OH2 TIP3W4152 26.742 14.016 20.456 1.00 0.00 WT1 O ATOM 5979 H1 TIP3W4152 27.521 13.702 19.969 1.00 0.00 WT1 H ATOM 5980 H2 TIP3W4152 26.173 14.466 19.790 1.00 0.00 WT1 H ATOM 5981 OH2 TIP3W4158 29.253 38.382 -18.514 1.00 0.00 WT1 O ATOM 5982 H1 TIP3W4158 29.150 37.446 -18.645 1.00 0.00 WT1 H ATOM 5983 H2 TIP3W4158 30.211 38.499 -18.626 1.00 0.00 WT1 H ATOM 5984 OH2 TIP3W4161 35.466 23.003 -20.677 1.00 0.00 WT1 O ATOM 5985 H1 TIP3W4161 35.156 22.751 -19.792 1.00 0.00 WT1 H ATOM 5986 H2 TIP3W4161 36.206 22.401 -20.717 1.00 0.00 WT1 H ATOM 5987 OH2 TIP3W4164 45.076 16.945 7.376 1.00 0.00 WT1 O ATOM 5988 H1 TIP3W4164 45.844 17.029 6.823 1.00 0.00 WT1 H ATOM 5989 H2 TIP3W4164 44.889 16.003 7.181 1.00 0.00 WT1 H ATOM 5990 OH2 TIP3W4166 39.843 22.788 14.633 1.00 0.00 WT1 O ATOM 5991 H1 TIP3W4166 39.221 23.394 14.168 1.00 0.00 WT1 H ATOM 5992 H2 TIP3W4166 39.598 21.942 14.207 1.00 0.00 WT1 H ATOM 5993 OH2 TIP3W4168 39.635 37.802 12.245 1.00 0.00 WT1 O ATOM 5994 H1 TIP3W4168 40.520 37.437 12.236 1.00 0.00 WT1 H ATOM 5995 H2 TIP3W4168 39.712 38.390 13.009 1.00 0.00 WT1 H ATOM 5996 OH2 TIP3W4170 33.138 30.636 17.645 1.00 0.00 WT1 O ATOM 5997 H1 TIP3W4170 33.245 31.259 16.897 1.00 0.00 WT1 H ATOM 5998 H2 TIP3W4170 33.270 31.191 18.376 1.00 0.00 WT1 H ATOM 5999 OH2 TIP3W4171 40.011 31.745 21.396 1.00 0.00 WT1 O ATOM 6000 H1 TIP3W4171 39.548 30.994 20.977 1.00 0.00 WT1 H ATOM 6001 H2 TIP3W4171 39.300 32.352 21.619 1.00 0.00 WT1 H ATOM 6002 OH2 TIP3W4179 31.154 22.068 -19.816 1.00 0.00 WT1 O ATOM 6003 H1 TIP3W4179 30.953 22.989 -19.657 1.00 0.00 WT1 H ATOM 6004 H2 TIP3W4179 30.847 21.588 -19.007 1.00 0.00 WT1 H ATOM 6005 OH2 TIP3W4181 29.850 29.568 -18.462 1.00 0.00 WT1 O ATOM 6006 H1 TIP3W4181 29.982 30.520 -18.271 1.00 0.00 WT1 H ATOM 6007 H2 TIP3W4181 30.721 29.228 -18.255 1.00 0.00 WT1 H ATOM 6008 OH2 TIP3W4182 36.896 40.360 -6.307 1.00 0.00 WT1 O ATOM 6009 H1 TIP3W4182 37.686 40.531 -6.847 1.00 0.00 WT1 H ATOM 6010 H2 TIP3W4182 37.111 39.452 -5.991 1.00 0.00 WT1 H ATOM 6011 OH2 TIP3W4183 39.088 41.345 -7.820 1.00 0.00 WT1 O ATOM 6012 H1 TIP3W4183 39.838 41.299 -7.155 1.00 0.00 WT1 H ATOM 6013 H2 TIP3W4183 39.501 41.370 -8.712 1.00 0.00 WT1 H ATOM 6014 OH2 TIP3W4184 27.660 23.996 -19.145 1.00 0.00 WT1 O ATOM 6015 H1 TIP3W4184 28.446 24.237 -19.719 1.00 0.00 WT1 H ATOM 6016 H2 TIP3W4184 26.995 24.728 -19.444 1.00 0.00 WT1 H ATOM 6017 OH2 TIP3W4188 24.346 32.552 17.843 1.00 0.00 WT1 O ATOM 6018 H1 TIP3W4188 24.513 33.483 17.962 1.00 0.00 WT1 H ATOM 6019 H2 TIP3W4188 25.024 32.307 17.188 1.00 0.00 WT1 H ATOM 6020 OH2 TIP3W4190 32.740 41.387 17.725 1.00 0.00 WT1 O ATOM 6021 H1 TIP3W4190 33.013 41.477 18.638 1.00 0.00 WT1 H ATOM 6022 H2 TIP3W4190 33.588 41.704 17.286 1.00 0.00 WT1 H ATOM 6023 OH2 TIP3W4198 39.271 36.787 -16.884 1.00 0.00 WT1 O ATOM 6024 H1 TIP3W4198 39.938 37.489 -17.120 1.00 0.00 WT1 H ATOM 6025 H2 TIP3W4198 38.433 37.165 -17.230 1.00 0.00 WT1 H ATOM 6026 OH2 TIP3W4200 46.070 41.420 -16.661 1.00 0.00 WT1 O ATOM 6027 H1 TIP3W4200 46.788 41.122 -17.187 1.00 0.00 WT1 H ATOM 6028 H2 TIP3W4200 45.522 41.844 -17.306 1.00 0.00 WT1 H ATOM 6029 OH2 TIP3W4201 41.213 22.122 -18.779 1.00 0.00 WT1 O ATOM 6030 H1 TIP3W4201 41.364 21.719 -17.938 1.00 0.00 WT1 H ATOM 6031 H2 TIP3W4201 41.153 23.088 -18.590 1.00 0.00 WT1 H ATOM 6032 OH2 TIP3W4207 41.000 39.949 -5.924 1.00 0.00 WT1 O ATOM 6033 H1 TIP3W4207 41.946 40.111 -6.141 1.00 0.00 WT1 H ATOM 6034 H2 TIP3W4207 40.773 39.110 -6.401 1.00 0.00 WT1 H ATOM 6035 OH2 TIP3W4208 40.350 37.215 8.343 1.00 0.00 WT1 O ATOM 6036 H1 TIP3W4208 40.128 36.821 7.495 1.00 0.00 WT1 H ATOM 6037 H2 TIP3W4208 41.053 36.651 8.630 1.00 0.00 WT1 H ATOM 6038 OH2 TIP3W4209 42.176 34.952 8.900 1.00 0.00 WT1 O ATOM 6039 H1 TIP3W4209 41.297 34.638 8.733 1.00 0.00 WT1 H ATOM 6040 H2 TIP3W4209 42.314 34.684 9.817 1.00 0.00 WT1 H ATOM 6041 OH2 TIP3W4210 48.895 40.478 15.027 1.00 0.00 WT1 O ATOM 6042 H1 TIP3W4210 48.666 40.008 15.896 1.00 0.00 WT1 H ATOM 6043 H2 TIP3W4210 49.335 39.754 14.511 1.00 0.00 WT1 H ATOM 6044 OH2 TIP3W4211 37.501 38.158 10.327 1.00 0.00 WT1 O ATOM 6045 H1 TIP3W4211 37.998 38.082 9.482 1.00 0.00 WT1 H ATOM 6046 H2 TIP3W4211 38.162 38.224 11.092 1.00 0.00 WT1 H ATOM 6047 OH2 TIP3W4213 40.926 42.782 19.298 1.00 0.00 WT1 O ATOM 6048 H1 TIP3W4213 40.662 43.567 19.829 1.00 0.00 WT1 H ATOM 6049 H2 TIP3W4213 40.649 42.041 19.923 1.00 0.00 WT1 H ATOM 6050 OH2 TIP3W4218 47.331 33.234 -12.996 1.00 0.00 WT1 O ATOM 6051 H1 TIP3W4218 48.198 33.041 -12.547 1.00 0.00 WT1 H ATOM 6052 H2 TIP3W4218 47.525 33.622 -13.848 1.00 0.00 WT1 H ATOM 6053 OH2 TIP3W4224 30.324 40.415 -16.635 1.00 0.00 WT1 O ATOM 6054 H1 TIP3W4224 29.382 40.753 -16.654 1.00 0.00 WT1 H ATOM 6055 H2 TIP3W4224 30.143 39.574 -17.068 1.00 0.00 WT1 H ATOM 6056 OH2 TIP3W4226 29.035 46.645 -11.996 1.00 0.00 WT1 O ATOM 6057 H1 TIP3W4226 28.228 46.835 -12.479 1.00 0.00 WT1 H ATOM 6058 H2 TIP3W4226 28.867 45.832 -11.558 1.00 0.00 WT1 H ATOM 6059 OH2 TIP3W4228 33.077 40.423 7.516 1.00 0.00 WT1 O ATOM 6060 H1 TIP3W4228 32.528 41.053 6.933 1.00 0.00 WT1 H ATOM 6061 H2 TIP3W4228 33.194 39.639 6.956 1.00 0.00 WT1 H ATOM 6062 OH2 TIP3W4229 40.035 44.350 -7.962 1.00 0.00 WT1 O ATOM 6063 H1 TIP3W4229 40.826 43.691 -7.948 1.00 0.00 WT1 H ATOM 6064 H2 TIP3W4229 39.639 44.105 -7.127 1.00 0.00 WT1 H ATOM 6065 OH2 TIP3W4230 51.798 25.832 9.492 1.00 0.00 WT1 O ATOM 6066 H1 TIP3W4230 52.549 25.484 8.948 1.00 0.00 WT1 H ATOM 6067 H2 TIP3W4230 51.520 26.589 8.934 1.00 0.00 WT1 H ATOM 6068 OH2 TIP3W4231 34.232 35.525 9.354 1.00 0.00 WT1 O ATOM 6069 H1 TIP3W4231 35.043 35.395 9.817 1.00 0.00 WT1 H ATOM 6070 H2 TIP3W4231 33.561 35.357 10.033 1.00 0.00 WT1 H ATOM 6071 OH2 TIP3W4232 25.744 42.221 8.197 1.00 0.00 WT1 O ATOM 6072 H1 TIP3W4232 25.454 41.355 7.994 1.00 0.00 WT1 H ATOM 6073 H2 TIP3W4232 25.654 42.207 9.187 1.00 0.00 WT1 H ATOM 6074 OH2 TIP3W4233 43.184 40.709 8.601 1.00 0.00 WT1 O ATOM 6075 H1 TIP3W4233 43.690 40.031 8.129 1.00 0.00 WT1 H ATOM 6076 H2 TIP3W4233 43.311 41.536 8.068 1.00 0.00 WT1 H ATOM 6077 OH2 TIP3W4234 20.619 39.005 13.297 1.00 0.00 WT1 O ATOM 6078 H1 TIP3W4234 20.475 38.539 14.157 1.00 0.00 WT1 H ATOM 6079 H2 TIP3W4234 21.148 39.822 13.457 1.00 0.00 WT1 H ATOM 6080 OH2 TIP3W4235 40.022 31.529 17.039 1.00 0.00 WT1 O ATOM 6081 H1 TIP3W4235 40.884 31.785 17.435 1.00 0.00 WT1 H ATOM 6082 H2 TIP3W4235 39.654 32.432 16.902 1.00 0.00 WT1 H ATOM 6083 OH2 TIP3W4236 23.156 39.207 18.016 1.00 0.00 WT1 O ATOM 6084 H1 TIP3W4236 22.335 39.277 18.576 1.00 0.00 WT1 H ATOM 6085 H2 TIP3W4236 23.748 39.909 18.304 1.00 0.00 WT1 H ATOM 6086 OH2 TIP3W4245 42.347 45.842 -7.998 1.00 0.00 WT1 O ATOM 6087 H1 TIP3W4245 41.418 45.458 -7.976 1.00 0.00 WT1 H ATOM 6088 H2 TIP3W4245 42.369 46.194 -8.918 1.00 0.00 WT1 H ATOM 6089 OH2 TIP3W4248 28.455 42.566 -12.615 1.00 0.00 WT1 O ATOM 6090 H1 TIP3W4248 27.849 43.246 -12.908 1.00 0.00 WT1 H ATOM 6091 H2 TIP3W4248 29.364 42.929 -12.815 1.00 0.00 WT1 H ATOM 6092 OH2 TIP3W4249 46.195 41.949 1.486 1.00 0.00 WT1 O ATOM 6093 H1 TIP3W4249 46.651 42.274 0.705 1.00 0.00 WT1 H ATOM 6094 H2 TIP3W4249 45.400 41.529 1.159 1.00 0.00 WT1 H ATOM 6095 OH2 TIP3W4250 43.288 49.385 10.017 1.00 0.00 WT1 O ATOM 6096 H1 TIP3W4250 43.013 49.895 10.747 1.00 0.00 WT1 H ATOM 6097 H2 TIP3W4250 42.444 49.085 9.634 1.00 0.00 WT1 H ATOM 6098 OH2 TIP3W4251 41.360 34.363 -1.753 1.00 0.00 WT1 O ATOM 6099 H1 TIP3W4251 41.266 33.556 -2.312 1.00 0.00 WT1 H ATOM 6100 H2 TIP3W4251 40.816 34.130 -0.948 1.00 0.00 WT1 H ATOM 6101 OH2 TIP3W4255 31.783 38.977 20.067 1.00 0.00 WT1 O ATOM 6102 H1 TIP3W4255 31.738 38.317 19.349 1.00 0.00 WT1 H ATOM 6103 H2 TIP3W4255 32.149 39.766 19.667 1.00 0.00 WT1 H ATOM 6104 OH2 TIP3W4262 33.914 46.699 -19.686 1.00 0.00 WT1 O ATOM 6105 H1 TIP3W4262 33.074 46.700 -19.190 1.00 0.00 WT1 H ATOM 6106 H2 TIP3W4262 33.953 47.665 -19.907 1.00 0.00 WT1 H ATOM 6107 OH2 TIP3W4264 31.667 48.345 -21.268 1.00 0.00 WT1 O ATOM 6108 H1 TIP3W4264 31.552 47.545 -21.772 1.00 0.00 WT1 H ATOM 6109 H2 TIP3W4264 32.427 48.711 -21.723 1.00 0.00 WT1 H ATOM 6110 OH2 TIP3W4266 35.926 37.669 -14.126 1.00 0.00 WT1 O ATOM 6111 H1 TIP3W4266 35.239 37.067 -13.872 1.00 0.00 WT1 H ATOM 6112 H2 TIP3W4266 36.258 37.867 -13.229 1.00 0.00 WT1 H ATOM 6113 OH2 TIP3W4270 32.093 45.850 8.095 1.00 0.00 WT1 O ATOM 6114 H1 TIP3W4270 32.073 45.534 9.020 1.00 0.00 WT1 H ATOM 6115 H2 TIP3W4270 32.971 45.649 7.788 1.00 0.00 WT1 H ATOM 6116 OH2 TIP3W4271 35.101 47.532 3.519 1.00 0.00 WT1 O ATOM 6117 H1 TIP3W4271 35.706 48.232 3.363 1.00 0.00 WT1 H ATOM 6118 H2 TIP3W4271 34.285 47.979 3.150 1.00 0.00 WT1 H ATOM 6119 OH2 TIP3W4272 36.119 40.592 7.130 1.00 0.00 WT1 O ATOM 6120 H1 TIP3W4272 35.620 39.878 7.615 1.00 0.00 WT1 H ATOM 6121 H2 TIP3W4272 36.832 40.143 6.623 1.00 0.00 WT1 H ATOM 6122 OH2 TIP3W4274 34.344 42.286 9.865 1.00 0.00 WT1 O ATOM 6123 H1 TIP3W4274 33.591 42.208 10.439 1.00 0.00 WT1 H ATOM 6124 H2 TIP3W4274 34.050 41.841 9.083 1.00 0.00 WT1 H ATOM 6125 OH2 TIP3W4275 31.043 50.540 20.774 1.00 0.00 WT1 O ATOM 6126 H1 TIP3W4275 30.280 49.976 20.745 1.00 0.00 WT1 H ATOM 6127 H2 TIP3W4275 31.014 50.944 19.900 1.00 0.00 WT1 H ATOM 6128 OH2 TIP3W4277 33.420 45.407 16.031 1.00 0.00 WT1 O ATOM 6129 H1 TIP3W4277 34.163 45.165 16.569 1.00 0.00 WT1 H ATOM 6130 H2 TIP3W4277 33.167 46.329 16.356 1.00 0.00 WT1 H ATOM 6131 OH2 TIP3W4278 25.596 19.812 19.276 1.00 0.00 WT1 O ATOM 6132 H1 TIP3W4278 24.709 20.068 19.547 1.00 0.00 WT1 H ATOM 6133 H2 TIP3W4278 25.523 19.317 18.481 1.00 0.00 WT1 H ATOM 6134 OH2 TIP3W4282 38.501 39.912 -17.604 1.00 0.00 WT1 O ATOM 6135 H1 TIP3W4282 37.889 40.189 -18.355 1.00 0.00 WT1 H ATOM 6136 H2 TIP3W4282 39.363 39.794 -17.953 1.00 0.00 WT1 H ATOM 6137 OH2 TIP3W4283 50.653 36.596 -20.086 1.00 0.00 WT1 O ATOM 6138 H1 TIP3W4283 50.412 37.489 -20.384 1.00 0.00 WT1 H ATOM 6139 H2 TIP3W4283 50.278 36.584 -19.175 1.00 0.00 WT1 H ATOM 6140 OH2 TIP3W4288 41.718 47.642 -4.681 1.00 0.00 WT1 O ATOM 6141 H1 TIP3W4288 41.295 48.530 -4.974 1.00 0.00 WT1 H ATOM 6142 H2 TIP3W4288 40.933 47.245 -4.167 1.00 0.00 WT1 H ATOM 6143 OH2 TIP3W4290 22.757 49.821 -9.789 1.00 0.00 WT1 O ATOM 6144 H1 TIP3W4290 22.191 50.540 -10.156 1.00 0.00 WT1 H ATOM 6145 H2 TIP3W4290 23.215 50.283 -9.027 1.00 0.00 WT1 H ATOM 6146 OH2 TIP3W4291 35.280 48.126 8.661 1.00 0.00 WT1 O ATOM 6147 H1 TIP3W4291 34.779 47.280 8.393 1.00 0.00 WT1 H ATOM 6148 H2 TIP3W4291 35.514 48.399 7.802 1.00 0.00 WT1 H ATOM 6149 OH2 TIP3W4292 48.828 48.201 4.761 1.00 0.00 WT1 O ATOM 6150 H1 TIP3W4292 49.362 47.841 5.447 1.00 0.00 WT1 H ATOM 6151 H2 TIP3W4292 48.019 48.391 5.159 1.00 0.00 WT1 H ATOM 6152 OH2 TIP3W4293 37.635 46.391 0.316 1.00 0.00 WT1 O ATOM 6153 H1 TIP3W4293 37.273 47.246 0.316 1.00 0.00 WT1 H ATOM 6154 H2 TIP3W4293 36.953 45.844 -0.158 1.00 0.00 WT1 H ATOM 6155 OH2 TIP3W4294 17.721 42.161 14.288 1.00 0.00 WT1 O ATOM 6156 H1 TIP3W4294 17.139 42.851 13.868 1.00 0.00 WT1 H ATOM 6157 H2 TIP3W4294 18.003 42.627 15.074 1.00 0.00 WT1 H ATOM 6158 OH2 TIP3W4295 45.713 47.497 6.289 1.00 0.00 WT1 O ATOM 6159 H1 TIP3W4295 44.991 47.391 6.963 1.00 0.00 WT1 H ATOM 6160 H2 TIP3W4295 45.402 48.268 5.812 1.00 0.00 WT1 H ATOM 6161 OH2 TIP3W4296 18.985 48.349 11.278 1.00 0.00 WT1 O ATOM 6162 H1 TIP3W4296 18.852 47.466 11.704 1.00 0.00 WT1 H ATOM 6163 H2 TIP3W4296 19.204 48.074 10.385 1.00 0.00 WT1 H ATOM 6164 OH2 TIP3W4297 41.222 40.697 -0.274 1.00 0.00 WT1 O ATOM 6165 H1 TIP3W4297 41.269 40.337 -1.118 1.00 0.00 WT1 H ATOM 6166 H2 TIP3W4297 40.255 40.705 -0.134 1.00 0.00 WT1 H ATOM 6167 OH2 TIP3W4298 41.254 34.295 18.110 1.00 0.00 WT1 O ATOM 6168 H1 TIP3W4298 40.853 34.793 18.852 1.00 0.00 WT1 H ATOM 6169 H2 TIP3W4298 42.138 34.092 18.456 1.00 0.00 WT1 H ATOM 6170 OH2 TIP3W4304 41.584 35.207 -15.079 1.00 0.00 WT1 O ATOM 6171 H1 TIP3W4304 40.660 35.579 -14.993 1.00 0.00 WT1 H ATOM 6172 H2 TIP3W4304 42.097 35.745 -14.487 1.00 0.00 WT1 H ATOM 6173 OH2 TIP3W4306 48.436 34.931 -19.172 1.00 0.00 WT1 O ATOM 6174 H1 TIP3W4306 47.598 35.387 -19.086 1.00 0.00 WT1 H ATOM 6175 H2 TIP3W4306 49.005 35.280 -18.434 1.00 0.00 WT1 H ATOM 6176 OH2 TIP3W4307 39.168 33.668 -16.165 1.00 0.00 WT1 O ATOM 6177 H1 TIP3W4307 38.387 34.032 -15.799 1.00 0.00 WT1 H ATOM 6178 H2 TIP3W4307 39.820 34.421 -16.405 1.00 0.00 WT1 H ATOM 6179 OH2 TIP3W4311 37.252 44.840 -8.532 1.00 0.00 WT1 O ATOM 6180 H1 TIP3W4311 36.875 45.537 -8.021 1.00 0.00 WT1 H ATOM 6181 H2 TIP3W4311 38.226 44.932 -8.296 1.00 0.00 WT1 H ATOM 6182 OH2 TIP3W4312 28.867 49.323 1.584 1.00 0.00 WT1 O ATOM 6183 H1 TIP3W4312 28.336 48.959 2.265 1.00 0.00 WT1 H ATOM 6184 H2 TIP3W4312 29.751 49.143 1.968 1.00 0.00 WT1 H ATOM 6185 OH2 TIP3W4314 24.785 48.992 13.915 1.00 0.00 WT1 O ATOM 6186 H1 TIP3W4314 24.262 49.756 13.580 1.00 0.00 WT1 H ATOM 6187 H2 TIP3W4314 24.104 48.330 14.108 1.00 0.00 WT1 H ATOM 6188 OH2 TIP3W4321 32.924 46.894 -16.938 1.00 0.00 WT1 O ATOM 6189 H1 TIP3W4321 33.436 46.786 -16.146 1.00 0.00 WT1 H ATOM 6190 H2 TIP3W4321 32.058 46.865 -16.621 1.00 0.00 WT1 H ATOM 6191 OH2 TIP3W4328 33.447 38.319 -16.134 1.00 0.00 WT1 O ATOM 6192 H1 TIP3W4328 34.073 38.381 -16.810 1.00 0.00 WT1 H ATOM 6193 H2 TIP3W4328 33.146 39.194 -16.069 1.00 0.00 WT1 H ATOM 6194 OH2 TIP3W4337 38.366 40.757 -0.095 1.00 0.00 WT1 O ATOM 6195 H1 TIP3W4337 38.237 40.750 -1.091 1.00 0.00 WT1 H ATOM 6196 H2 TIP3W4337 37.950 41.606 0.165 1.00 0.00 WT1 H ATOM 6197 OH2 TIP3W4339 28.859 47.837 13.840 1.00 0.00 WT1 O ATOM 6198 H1 TIP3W4339 29.037 48.330 14.667 1.00 0.00 WT1 H ATOM 6199 H2 TIP3W4339 29.099 46.881 14.001 1.00 0.00 WT1 H ATOM 6200 OH2 TIP3W4353 29.947 48.673 -10.049 1.00 0.00 WT1 O ATOM 6201 H1 TIP3W4353 29.671 47.953 -10.656 1.00 0.00 WT1 H ATOM 6202 H2 TIP3W4353 30.414 48.208 -9.299 1.00 0.00 WT1 H ATOM 6203 OH2 TIP3W4354 31.993 43.388 14.470 1.00 0.00 WT1 O ATOM 6204 H1 TIP3W4354 31.343 42.616 14.571 1.00 0.00 WT1 H ATOM 6205 H2 TIP3W4354 32.201 43.674 15.400 1.00 0.00 WT1 H ATOM 6206 OH2 TIP3W4356 27.694 4.967 -2.388 1.00 0.00 WT1 O ATOM 6207 H1 TIP3W4356 27.791 5.102 -1.465 1.00 0.00 WT1 H ATOM 6208 H2 TIP3W4356 26.821 4.514 -2.376 1.00 0.00 WT1 H ATOM 6209 OH2 TIP3W4358 40.159 49.342 10.974 1.00 0.00 WT1 O ATOM 6210 H1 TIP3W4358 39.710 49.445 11.822 1.00 0.00 WT1 H ATOM 6211 H2 TIP3W4358 39.853 48.484 10.623 1.00 0.00 WT1 H ATOM 6212 OH2 TIP3W4359 33.149 49.260 6.383 1.00 0.00 WT1 O ATOM 6213 H1 TIP3W4359 32.429 49.828 6.667 1.00 0.00 WT1 H ATOM 6214 H2 TIP3W4359 32.629 48.436 6.088 1.00 0.00 WT1 H ATOM 6215 OH2 TIP3W4361 39.087 48.258 21.111 1.00 0.00 WT1 O ATOM 6216 H1 TIP3W4361 39.357 47.441 21.525 1.00 0.00 WT1 H ATOM 6217 H2 TIP3W4361 38.170 48.062 20.828 1.00 0.00 WT1 H ATOM 6218 OH2 TIP3W4374 49.979 4.107 -10.526 1.00 0.00 WT1 O ATOM 6219 H1 TIP3W4374 50.165 3.201 -10.824 1.00 0.00 WT1 H ATOM 6220 H2 TIP3W4374 49.399 4.362 -11.220 1.00 0.00 WT1 H ATOM 6221 OH2 TIP3W4380 22.346 0.508 2.397 1.00 0.00 WT1 O ATOM 6222 H1 TIP3W4380 23.082 0.489 3.035 1.00 0.00 WT1 H ATOM 6223 H2 TIP3W4380 22.733 0.025 1.669 1.00 0.00 WT1 H ATOM 6224 OH2 TIP3W4382 18.367 1.616 19.559 1.00 0.00 WT1 O ATOM 6225 H1 TIP3W4382 18.951 1.452 18.751 1.00 0.00 WT1 H ATOM 6226 H2 TIP3W4382 18.536 0.848 20.156 1.00 0.00 WT1 H ATOM 6227 OH2 TIP3W4383 17.681 50.095 7.196 1.00 0.00 WT1 O ATOM 6228 H1 TIP3W4383 17.163 49.343 6.876 1.00 0.00 WT1 H ATOM 6229 H2 TIP3W4383 18.568 49.655 7.306 1.00 0.00 WT1 H ATOM 6230 OH2 TIP3W4394 27.710 6.962 -11.491 1.00 0.00 WT1 O ATOM 6231 H1 TIP3W4394 28.488 6.396 -11.505 1.00 0.00 WT1 H ATOM 6232 H2 TIP3W4394 27.318 6.791 -10.576 1.00 0.00 WT1 H ATOM 6233 OH2 TIP3W4401 22.970 6.632 17.925 1.00 0.00 WT1 O ATOM 6234 H1 TIP3W4401 23.581 5.902 18.014 1.00 0.00 WT1 H ATOM 6235 H2 TIP3W4401 23.492 7.296 18.476 1.00 0.00 WT1 H ATOM 6236 OH2 TIP3W4414 34.642 3.262 -17.746 1.00 0.00 WT1 O ATOM 6237 H1 TIP3W4414 35.203 2.510 -17.398 1.00 0.00 WT1 H ATOM 6238 H2 TIP3W4414 33.863 3.394 -17.163 1.00 0.00 WT1 H ATOM 6239 OH2 TIP3W4415 49.803 14.675 3.251 1.00 0.00 WT1 O ATOM 6240 H1 TIP3W4415 50.268 13.839 3.459 1.00 0.00 WT1 H ATOM 6241 H2 TIP3W4415 49.052 14.711 3.903 1.00 0.00 WT1 H ATOM 6242 OH2 TIP3W4419 29.813 1.323 -4.829 1.00 0.00 WT1 O ATOM 6243 H1 TIP3W4419 29.315 2.164 -4.875 1.00 0.00 WT1 H ATOM 6244 H2 TIP3W4419 30.211 1.352 -5.708 1.00 0.00 WT1 H ATOM 6245 OH2 TIP3W4422 42.483 1.700 10.820 1.00 0.00 WT1 O ATOM 6246 H1 TIP3W4422 43.258 1.724 11.391 1.00 0.00 WT1 H ATOM 6247 H2 TIP3W4422 42.234 2.644 10.724 1.00 0.00 WT1 H ATOM 6248 OH2 TIP3W4432 39.527 17.048 -11.193 1.00 0.00 WT1 O ATOM 6249 H1 TIP3W4432 38.787 17.577 -11.533 1.00 0.00 WT1 H ATOM 6250 H2 TIP3W4432 39.957 16.661 -12.023 1.00 0.00 WT1 H ATOM 6251 OH2 TIP3W4434 41.007 4.079 -14.637 1.00 0.00 WT1 O ATOM 6252 H1 TIP3W4434 40.401 3.374 -14.400 1.00 0.00 WT1 H ATOM 6253 H2 TIP3W4434 41.144 4.537 -13.804 1.00 0.00 WT1 H ATOM 6254 OH2 TIP3W4437 33.965 7.242 -20.270 1.00 0.00 WT1 O ATOM 6255 H1 TIP3W4437 34.072 7.197 -19.303 1.00 0.00 WT1 H ATOM 6256 H2 TIP3W4437 33.524 8.081 -20.475 1.00 0.00 WT1 H ATOM 6257 OH2 TIP3W4441 41.240 1.044 8.290 1.00 0.00 WT1 O ATOM 6258 H1 TIP3W4441 41.629 1.259 9.149 1.00 0.00 WT1 H ATOM 6259 H2 TIP3W4441 41.798 0.307 7.904 1.00 0.00 WT1 H ATOM 6260 OH2 TIP3W4443 39.476 11.067 14.600 1.00 0.00 WT1 O ATOM 6261 H1 TIP3W4443 40.122 11.797 14.370 1.00 0.00 WT1 H ATOM 6262 H2 TIP3W4443 39.235 11.188 15.494 1.00 0.00 WT1 H ATOM 6263 OH2 TIP3W4446 37.802 17.188 18.565 1.00 0.00 WT1 O ATOM 6264 H1 TIP3W4446 37.250 17.909 18.285 1.00 0.00 WT1 H ATOM 6265 H2 TIP3W4446 37.149 16.526 18.852 1.00 0.00 WT1 H ATOM 6266 OH2 TIP3W4453 48.416 5.142 -12.858 1.00 0.00 WT1 O ATOM 6267 H1 TIP3W4453 48.099 5.887 -13.355 1.00 0.00 WT1 H ATOM 6268 H2 TIP3W4453 48.962 4.633 -13.500 1.00 0.00 WT1 H ATOM 6269 OH2 TIP3W4455 31.755 3.371 -16.501 1.00 0.00 WT1 O ATOM 6270 H1 TIP3W4455 31.786 2.553 -15.957 1.00 0.00 WT1 H ATOM 6271 H2 TIP3W4455 31.356 4.030 -15.933 1.00 0.00 WT1 H ATOM 6272 OH2 TIP3W4460 45.143 17.269 10.171 1.00 0.00 WT1 O ATOM 6273 H1 TIP3W4460 44.379 17.845 10.451 1.00 0.00 WT1 H ATOM 6274 H2 TIP3W4460 44.957 16.991 9.236 1.00 0.00 WT1 H ATOM 6275 OH2 TIP3W4461 35.928 1.903 -1.268 1.00 0.00 WT1 O ATOM 6276 H1 TIP3W4461 35.452 2.676 -0.868 1.00 0.00 WT1 H ATOM 6277 H2 TIP3W4461 36.535 2.296 -1.916 1.00 0.00 WT1 H ATOM 6278 OH2 TIP3W4462 38.344 9.037 8.731 1.00 0.00 WT1 O ATOM 6279 H1 TIP3W4462 39.301 8.926 8.506 1.00 0.00 WT1 H ATOM 6280 H2 TIP3W4462 38.399 9.735 9.481 1.00 0.00 WT1 H ATOM 6281 OH2 TIP3W4463 44.630 3.554 18.490 1.00 0.00 WT1 O ATOM 6282 H1 TIP3W4463 43.720 3.098 18.479 1.00 0.00 WT1 H ATOM 6283 H2 TIP3W4463 45.234 2.801 18.620 1.00 0.00 WT1 H ATOM 6284 OH2 TIP3W4473 41.641 11.253 -20.376 1.00 0.00 WT1 O ATOM 6285 H1 TIP3W4473 41.183 11.175 -21.214 1.00 0.00 WT1 H ATOM 6286 H2 TIP3W4473 41.814 12.248 -20.330 1.00 0.00 WT1 H ATOM 6287 OH2 TIP3W4474 37.560 31.135 -14.659 1.00 0.00 WT1 O ATOM 6288 H1 TIP3W4474 37.650 30.193 -14.441 1.00 0.00 WT1 H ATOM 6289 H2 TIP3W4474 37.017 31.492 -13.982 1.00 0.00 WT1 H ATOM 6290 OH2 TIP3W4477 38.276 4.142 -17.069 1.00 0.00 WT1 O ATOM 6291 H1 TIP3W4477 39.070 3.979 -17.590 1.00 0.00 WT1 H ATOM 6292 H2 TIP3W4477 37.903 3.244 -16.755 1.00 0.00 WT1 H ATOM 6293 OH2 TIP3W4479 36.659 10.586 -10.342 1.00 0.00 WT1 O ATOM 6294 H1 TIP3W4479 35.962 10.187 -9.765 1.00 0.00 WT1 H ATOM 6295 H2 TIP3W4479 37.459 10.496 -9.790 1.00 0.00 WT1 H ATOM 6296 OH2 TIP3W4482 29.998 10.029 19.336 1.00 0.00 WT1 O ATOM 6297 H1 TIP3W4482 29.548 9.467 19.898 1.00 0.00 WT1 H ATOM 6298 H2 TIP3W4482 30.078 9.476 18.574 1.00 0.00 WT1 H ATOM 6299 OH2 TIP3W4483 42.867 19.124 13.822 1.00 0.00 WT1 O ATOM 6300 H1 TIP3W4483 42.242 19.337 13.102 1.00 0.00 WT1 H ATOM 6301 H2 TIP3W4483 43.194 19.965 14.092 1.00 0.00 WT1 H ATOM 6302 OH2 TIP3W4485 23.314 0.450 10.991 1.00 0.00 WT1 O ATOM 6303 H1 TIP3W4485 22.739 0.327 10.187 1.00 0.00 WT1 H ATOM 6304 H2 TIP3W4485 23.611 -0.437 11.216 1.00 0.00 WT1 H ATOM 6305 OH2 TIP3W4500 42.958 9.505 -18.585 1.00 0.00 WT1 O ATOM 6306 H1 TIP3W4500 42.523 10.079 -19.256 1.00 0.00 WT1 H ATOM 6307 H2 TIP3W4500 42.423 9.457 -17.786 1.00 0.00 WT1 H ATOM 6308 OH2 TIP3W4501 18.992 9.904 -7.406 1.00 0.00 WT1 O ATOM 6309 H1 TIP3W4501 19.546 10.511 -7.918 1.00 0.00 WT1 H ATOM 6310 H2 TIP3W4501 18.576 9.253 -8.031 1.00 0.00 WT1 H ATOM 6311 OH2 TIP3W4504 35.662 8.482 18.516 1.00 0.00 WT1 O ATOM 6312 H1 TIP3W4504 34.699 8.290 18.635 1.00 0.00 WT1 H ATOM 6313 H2 TIP3W4504 35.658 9.396 18.250 1.00 0.00 WT1 H ATOM 6314 OH2 TIP3W4506 34.574 15.208 17.367 1.00 0.00 WT1 O ATOM 6315 H1 TIP3W4506 34.813 15.024 18.276 1.00 0.00 WT1 H ATOM 6316 H2 TIP3W4506 34.692 14.400 16.938 1.00 0.00 WT1 H ATOM 6317 OH2 TIP3W4507 29.017 6.793 20.801 1.00 0.00 WT1 O ATOM 6318 H1 TIP3W4507 28.288 6.710 20.185 1.00 0.00 WT1 H ATOM 6319 H2 TIP3W4507 29.751 6.539 20.299 1.00 0.00 WT1 H ATOM 6320 OH2 TIP3W4509 32.990 4.987 13.659 1.00 0.00 WT1 O ATOM 6321 H1 TIP3W4509 33.598 5.626 13.973 1.00 0.00 WT1 H ATOM 6322 H2 TIP3W4509 32.835 4.417 14.446 1.00 0.00 WT1 H ATOM 6323 OH2 TIP3W4513 40.996 14.033 -16.275 1.00 0.00 WT1 O ATOM 6324 H1 TIP3W4513 40.217 13.547 -16.218 1.00 0.00 WT1 H ATOM 6325 H2 TIP3W4513 41.360 13.629 -17.133 1.00 0.00 WT1 H ATOM 6326 OH2 TIP3W4518 42.456 27.014 -14.470 1.00 0.00 WT1 O ATOM 6327 H1 TIP3W4518 43.132 26.848 -15.113 1.00 0.00 WT1 H ATOM 6328 H2 TIP3W4518 42.608 27.924 -14.101 1.00 0.00 WT1 H ATOM 6329 OH2 TIP3W4519 23.381 15.848 -20.413 1.00 0.00 WT1 O ATOM 6330 H1 TIP3W4519 23.201 15.630 -21.358 1.00 0.00 WT1 H ATOM 6331 H2 TIP3W4519 24.195 15.351 -20.285 1.00 0.00 WT1 H ATOM 6332 OH2 TIP3W4522 44.809 1.326 6.444 1.00 0.00 WT1 O ATOM 6333 H1 TIP3W4522 45.428 1.885 6.967 1.00 0.00 WT1 H ATOM 6334 H2 TIP3W4522 44.221 2.048 6.075 1.00 0.00 WT1 H ATOM 6335 OH2 TIP3W4525 43.737 30.210 3.768 1.00 0.00 WT1 O ATOM 6336 H1 TIP3W4525 44.564 30.706 3.708 1.00 0.00 WT1 H ATOM 6337 H2 TIP3W4525 44.048 29.443 4.276 1.00 0.00 WT1 H ATOM 6338 OH2 TIP3W4526 51.992 17.654 18.207 1.00 0.00 WT1 O ATOM 6339 H1 TIP3W4526 51.840 16.707 18.002 1.00 0.00 WT1 H ATOM 6340 H2 TIP3W4526 52.187 18.087 17.365 1.00 0.00 WT1 H ATOM 6341 OH2 TIP3W4527 50.498 4.377 10.523 1.00 0.00 WT1 O ATOM 6342 H1 TIP3W4527 49.495 4.329 10.677 1.00 0.00 WT1 H ATOM 6343 H2 TIP3W4527 50.632 4.299 9.539 1.00 0.00 WT1 H ATOM 6344 OH2 TIP3W4531 49.331 0.993 17.539 1.00 0.00 WT1 O ATOM 6345 H1 TIP3W4531 50.051 0.731 18.090 1.00 0.00 WT1 H ATOM 6346 H2 TIP3W4531 49.428 1.895 17.550 1.00 0.00 WT1 H ATOM 6347 OH2 TIP3W4543 26.094 17.342 14.651 1.00 0.00 WT1 O ATOM 6348 H1 TIP3W4543 26.899 16.859 14.814 1.00 0.00 WT1 H ATOM 6349 H2 TIP3W4543 25.845 16.975 13.806 1.00 0.00 WT1 H ATOM 6350 OH2 TIP3W4544 50.694 21.014 -1.487 1.00 0.00 WT1 O ATOM 6351 H1 TIP3W4544 50.833 21.940 -1.175 1.00 0.00 WT1 H ATOM 6352 H2 TIP3W4544 49.771 21.011 -1.835 1.00 0.00 WT1 H ATOM 6353 OH2 TIP3W4545 40.953 35.294 5.220 1.00 0.00 WT1 O ATOM 6354 H1 TIP3W4545 40.797 34.817 4.430 1.00 0.00 WT1 H ATOM 6355 H2 TIP3W4545 41.688 35.890 4.959 1.00 0.00 WT1 H ATOM 6356 OH2 TIP3W4546 50.257 22.050 11.174 1.00 0.00 WT1 O ATOM 6357 H1 TIP3W4546 49.358 22.439 11.149 1.00 0.00 WT1 H ATOM 6358 H2 TIP3W4546 50.107 21.172 11.585 1.00 0.00 WT1 H ATOM 6359 OH2 TIP3W4548 46.039 25.057 8.257 1.00 0.00 WT1 O ATOM 6360 H1 TIP3W4548 46.324 24.656 9.112 1.00 0.00 WT1 H ATOM 6361 H2 TIP3W4548 45.183 25.460 8.579 1.00 0.00 WT1 H ATOM 6362 OH2 TIP3W4549 43.179 14.180 12.527 1.00 0.00 WT1 O ATOM 6363 H1 TIP3W4549 43.301 14.864 13.232 1.00 0.00 WT1 H ATOM 6364 H2 TIP3W4549 43.962 13.665 12.606 1.00 0.00 WT1 H ATOM 6365 OH2 TIP3W4551 35.266 36.548 15.149 1.00 0.00 WT1 O ATOM 6366 H1 TIP3W4551 35.495 36.797 14.214 1.00 0.00 WT1 H ATOM 6367 H2 TIP3W4551 35.978 36.987 15.755 1.00 0.00 WT1 H ATOM 6368 OH2 TIP3W4553 27.046 23.991 -15.976 1.00 0.00 WT1 O ATOM 6369 H1 TIP3W4553 27.141 23.292 -16.712 1.00 0.00 WT1 H ATOM 6370 H2 TIP3W4553 26.126 24.255 -15.942 1.00 0.00 WT1 H ATOM 6371 OH2 TIP3W4558 41.926 20.790 -16.211 1.00 0.00 WT1 O ATOM 6372 H1 TIP3W4558 42.475 20.270 -16.712 1.00 0.00 WT1 H ATOM 6373 H2 TIP3W4558 41.235 20.177 -15.961 1.00 0.00 WT1 H ATOM 6374 OH2 TIP3W4559 20.629 22.729 -15.719 1.00 0.00 WT1 O ATOM 6375 H1 TIP3W4559 20.543 22.004 -15.019 1.00 0.00 WT1 H ATOM 6376 H2 TIP3W4559 20.624 23.520 -15.132 1.00 0.00 WT1 H ATOM 6377 OH2 TIP3W4561 38.863 16.707 -18.700 1.00 0.00 WT1 O ATOM 6378 H1 TIP3W4561 38.195 17.104 -19.293 1.00 0.00 WT1 H ATOM 6379 H2 TIP3W4561 38.369 16.034 -18.220 1.00 0.00 WT1 H ATOM 6380 OH2 TIP3W4563 42.517 30.738 -11.086 1.00 0.00 WT1 O ATOM 6381 H1 TIP3W4563 42.377 31.386 -10.324 1.00 0.00 WT1 H ATOM 6382 H2 TIP3W4563 41.704 30.262 -11.013 1.00 0.00 WT1 H ATOM 6383 OH2 TIP3W4566 38.149 28.016 16.167 1.00 0.00 WT1 O ATOM 6384 H1 TIP3W4566 38.778 27.908 16.791 1.00 0.00 WT1 H ATOM 6385 H2 TIP3W4566 37.891 28.941 16.328 1.00 0.00 WT1 H ATOM 6386 OH2 TIP3W4574 37.499 16.918 14.625 1.00 0.00 WT1 O ATOM 6387 H1 TIP3W4574 37.691 15.991 14.669 1.00 0.00 WT1 H ATOM 6388 H2 TIP3W4574 36.597 17.025 14.927 1.00 0.00 WT1 H ATOM 6389 OH2 TIP3W4581 43.796 16.766 -9.929 1.00 0.00 WT1 O ATOM 6390 H1 TIP3W4581 44.107 17.280 -9.186 1.00 0.00 WT1 H ATOM 6391 H2 TIP3W4581 44.038 15.833 -9.660 1.00 0.00 WT1 H ATOM 6392 OH2 TIP3W4582 29.130 17.491 -18.277 1.00 0.00 WT1 O ATOM 6393 H1 TIP3W4582 28.297 17.805 -18.676 1.00 0.00 WT1 H ATOM 6394 H2 TIP3W4582 29.120 16.535 -18.483 1.00 0.00 WT1 H ATOM 6395 OH2 TIP3W4584 49.503 35.893 1.359 1.00 0.00 WT1 O ATOM 6396 H1 TIP3W4584 49.652 35.914 2.292 1.00 0.00 WT1 H ATOM 6397 H2 TIP3W4584 48.726 35.252 1.319 1.00 0.00 WT1 H ATOM 6398 OH2 TIP3W4589 22.804 47.972 11.872 1.00 0.00 WT1 O ATOM 6399 H1 TIP3W4589 22.430 47.779 12.745 1.00 0.00 WT1 H ATOM 6400 H2 TIP3W4589 23.301 48.806 12.068 1.00 0.00 WT1 H ATOM 6401 OH2 TIP3W4593 25.011 32.427 21.352 1.00 0.00 WT1 O ATOM 6402 H1 TIP3W4593 25.132 31.726 20.647 1.00 0.00 WT1 H ATOM 6403 H2 TIP3W4593 25.587 33.042 21.044 1.00 0.00 WT1 H ATOM 6404 OH2 TIP3W4599 41.601 26.218 -19.946 1.00 0.00 WT1 O ATOM 6405 H1 TIP3W4599 40.747 26.675 -19.846 1.00 0.00 WT1 H ATOM 6406 H2 TIP3W4599 42.249 26.899 -20.194 1.00 0.00 WT1 H ATOM 6407 OH2 TIP3W4600 41.310 29.492 -18.087 1.00 0.00 WT1 O ATOM 6408 H1 TIP3W4600 42.137 29.645 -17.651 1.00 0.00 WT1 H ATOM 6409 H2 TIP3W4600 40.716 30.268 -17.871 1.00 0.00 WT1 H ATOM 6410 OH2 TIP3W4604 47.742 43.554 16.672 1.00 0.00 WT1 O ATOM 6411 H1 TIP3W4604 47.119 42.839 16.395 1.00 0.00 WT1 H ATOM 6412 H2 TIP3W4604 48.256 43.793 15.890 1.00 0.00 WT1 H ATOM 6413 OH2 TIP3W4611 39.861 27.416 18.184 1.00 0.00 WT1 O ATOM 6414 H1 TIP3W4611 40.341 27.144 18.984 1.00 0.00 WT1 H ATOM 6415 H2 TIP3W4611 39.014 26.978 18.341 1.00 0.00 WT1 H ATOM 6416 OH2 TIP3W4619 47.731 17.283 21.560 1.00 0.00 WT1 O ATOM 6417 H1 TIP3W4619 47.762 17.989 22.135 1.00 0.00 WT1 H ATOM 6418 H2 TIP3W4619 47.288 16.558 22.079 1.00 0.00 WT1 H ATOM 6419 OH2 TIP3W4622 45.934 37.618 -18.932 1.00 0.00 WT1 O ATOM 6420 H1 TIP3W4622 46.343 38.407 -19.299 1.00 0.00 WT1 H ATOM 6421 H2 TIP3W4622 46.271 37.598 -18.092 1.00 0.00 WT1 H ATOM 6422 OH2 TIP3W4624 43.970 21.319 -2.584 1.00 0.00 WT1 O ATOM 6423 H1 TIP3W4624 44.309 21.488 -3.494 1.00 0.00 WT1 H ATOM 6424 H2 TIP3W4624 44.434 21.982 -2.088 1.00 0.00 WT1 H ATOM 6425 OH2 TIP3W4628 43.837 24.615 -13.161 1.00 0.00 WT1 O ATOM 6426 H1 TIP3W4628 43.248 23.830 -13.175 1.00 0.00 WT1 H ATOM 6427 H2 TIP3W4628 43.362 25.254 -13.691 1.00 0.00 WT1 H ATOM 6428 OH2 TIP3W4631 21.736 27.783 18.859 1.00 0.00 WT1 O ATOM 6429 H1 TIP3W4631 21.137 27.098 18.971 1.00 0.00 WT1 H ATOM 6430 H2 TIP3W4631 21.450 28.451 19.469 1.00 0.00 WT1 H ATOM 6431 OH2 TIP3W4632 29.514 41.839 10.802 1.00 0.00 WT1 O ATOM 6432 H1 TIP3W4632 29.239 41.256 11.561 1.00 0.00 WT1 H ATOM 6433 H2 TIP3W4632 30.266 41.347 10.381 1.00 0.00 WT1 H ATOM 6434 OH2 TIP3W4633 36.077 37.848 5.363 1.00 0.00 WT1 O ATOM 6435 H1 TIP3W4633 37.036 38.134 5.244 1.00 0.00 WT1 H ATOM 6436 H2 TIP3W4633 35.956 37.582 6.260 1.00 0.00 WT1 H ATOM 6437 OH2 TIP3W4634 37.022 40.565 12.749 1.00 0.00 WT1 O ATOM 6438 H1 TIP3W4634 37.568 41.058 13.333 1.00 0.00 WT1 H ATOM 6439 H2 TIP3W4634 37.287 40.873 11.888 1.00 0.00 WT1 H ATOM 6440 OH2 TIP3W4635 23.710 47.042 19.401 1.00 0.00 WT1 O ATOM 6441 H1 TIP3W4635 24.478 46.417 19.543 1.00 0.00 WT1 H ATOM 6442 H2 TIP3W4635 23.686 47.698 20.147 1.00 0.00 WT1 H ATOM 6443 OH2 TIP3W4641 35.356 31.639 -16.641 1.00 0.00 WT1 O ATOM 6444 H1 TIP3W4641 35.999 31.745 -15.851 1.00 0.00 WT1 H ATOM 6445 H2 TIP3W4641 34.521 32.175 -16.480 1.00 0.00 WT1 H ATOM 6446 OH2 TIP3W4643 30.665 47.956 -18.896 1.00 0.00 WT1 O ATOM 6447 H1 TIP3W4643 30.804 48.236 -19.847 1.00 0.00 WT1 H ATOM 6448 H2 TIP3W4643 30.476 47.044 -18.988 1.00 0.00 WT1 H ATOM 6449 OH2 TIP3W4644 46.558 25.688 -10.281 1.00 0.00 WT1 O ATOM 6450 H1 TIP3W4644 46.438 25.616 -11.255 1.00 0.00 WT1 H ATOM 6451 H2 TIP3W4644 46.957 24.870 -10.008 1.00 0.00 WT1 H ATOM 6452 OH2 TIP3W4647 44.257 33.320 -4.708 1.00 0.00 WT1 O ATOM 6453 H1 TIP3W4647 44.683 33.336 -3.836 1.00 0.00 WT1 H ATOM 6454 H2 TIP3W4647 44.084 32.366 -4.817 1.00 0.00 WT1 H ATOM 6455 OH2 TIP3W4648 39.644 38.966 -12.992 1.00 0.00 WT1 O ATOM 6456 H1 TIP3W4648 39.407 38.987 -12.081 1.00 0.00 WT1 H ATOM 6457 H2 TIP3W4648 39.537 38.009 -13.266 1.00 0.00 WT1 H ATOM 6458 OH2 TIP3W4650 32.021 33.503 19.076 1.00 0.00 WT1 O ATOM 6459 H1 TIP3W4650 31.936 34.035 19.837 1.00 0.00 WT1 H ATOM 6460 H2 TIP3W4650 32.736 33.917 18.622 1.00 0.00 WT1 H ATOM 6461 OH2 TIP3W4651 39.434 40.937 3.496 1.00 0.00 WT1 O ATOM 6462 H1 TIP3W4651 38.813 41.481 3.949 1.00 0.00 WT1 H ATOM 6463 H2 TIP3W4651 38.842 40.420 2.898 1.00 0.00 WT1 H ATOM 6464 OH2 TIP3W4652 47.319 36.723 13.959 1.00 0.00 WT1 O ATOM 6465 H1 TIP3W4652 47.393 35.850 14.349 1.00 0.00 WT1 H ATOM 6466 H2 TIP3W4652 47.145 37.330 14.768 1.00 0.00 WT1 H ATOM 6467 OH2 TIP3W4653 37.405 34.550 8.710 1.00 0.00 WT1 O ATOM 6468 H1 TIP3W4653 37.433 35.059 7.933 1.00 0.00 WT1 H ATOM 6469 H2 TIP3W4653 38.334 34.286 8.736 1.00 0.00 WT1 H ATOM 6470 OH2 TIP3W4654 21.711 23.550 17.609 1.00 0.00 WT1 O ATOM 6471 H1 TIP3W4654 22.665 23.666 17.443 1.00 0.00 WT1 H ATOM 6472 H2 TIP3W4654 21.279 23.866 16.797 1.00 0.00 WT1 H ATOM 6473 OH2 TIP3W4661 51.043 39.415 -19.590 1.00 0.00 WT1 O ATOM 6474 H1 TIP3W4661 50.782 39.673 -18.642 1.00 0.00 WT1 H ATOM 6475 H2 TIP3W4661 51.816 38.891 -19.555 1.00 0.00 WT1 H ATOM 6476 OH2 TIP3W4665 42.657 39.410 -8.781 1.00 0.00 WT1 O ATOM 6477 H1 TIP3W4665 42.666 38.578 -8.238 1.00 0.00 WT1 H ATOM 6478 H2 TIP3W4665 42.775 39.126 -9.716 1.00 0.00 WT1 H ATOM 6479 OH2 TIP3W4666 46.644 35.256 -6.981 1.00 0.00 WT1 O ATOM 6480 H1 TIP3W4666 47.351 35.783 -6.492 1.00 0.00 WT1 H ATOM 6481 H2 TIP3W4666 46.949 35.182 -7.913 1.00 0.00 WT1 H ATOM 6482 OH2 TIP3W4668 37.260 37.594 -5.656 1.00 0.00 WT1 O ATOM 6483 H1 TIP3W4668 37.151 36.674 -5.397 1.00 0.00 WT1 H ATOM 6484 H2 TIP3W4668 37.077 37.462 -6.620 1.00 0.00 WT1 H ATOM 6485 OH2 TIP3W4670 45.995 37.883 -0.540 1.00 0.00 WT1 O ATOM 6486 H1 TIP3W4670 46.408 37.606 0.220 1.00 0.00 WT1 H ATOM 6487 H2 TIP3W4670 45.171 38.274 -0.170 1.00 0.00 WT1 H ATOM 6488 OH2 TIP3W4671 46.123 35.676 3.971 1.00 0.00 WT1 O ATOM 6489 H1 TIP3W4671 46.687 35.280 3.215 1.00 0.00 WT1 H ATOM 6490 H2 TIP3W4671 45.883 36.523 3.577 1.00 0.00 WT1 H ATOM 6491 OH2 TIP3W4672 39.879 33.304 8.851 1.00 0.00 WT1 O ATOM 6492 H1 TIP3W4672 39.934 32.548 9.473 1.00 0.00 WT1 H ATOM 6493 H2 TIP3W4672 39.933 32.877 7.966 1.00 0.00 WT1 H ATOM 6494 OH2 TIP3W4673 27.815 48.427 -0.734 1.00 0.00 WT1 O ATOM 6495 H1 TIP3W4673 28.326 48.402 0.056 1.00 0.00 WT1 H ATOM 6496 H2 TIP3W4673 28.448 48.329 -1.389 1.00 0.00 WT1 H ATOM 6497 OH2 TIP3W4674 38.352 39.308 19.423 1.00 0.00 WT1 O ATOM 6498 H1 TIP3W4674 38.130 39.411 20.396 1.00 0.00 WT1 H ATOM 6499 H2 TIP3W4674 37.801 39.990 18.943 1.00 0.00 WT1 H ATOM 6500 OH2 TIP3W4675 39.882 44.786 0.268 1.00 0.00 WT1 O ATOM 6501 H1 TIP3W4675 39.531 44.279 -0.485 1.00 0.00 WT1 H ATOM 6502 H2 TIP3W4675 39.171 45.446 0.354 1.00 0.00 WT1 H ATOM 6503 OH2 TIP3W4676 34.652 42.289 16.063 1.00 0.00 WT1 O ATOM 6504 H1 TIP3W4676 34.495 41.695 15.312 1.00 0.00 WT1 H ATOM 6505 H2 TIP3W4676 35.342 43.014 15.690 1.00 0.00 WT1 H ATOM 6506 OH2 TIP3W4677 35.756 37.807 12.570 1.00 0.00 WT1 O ATOM 6507 H1 TIP3W4677 36.473 38.254 12.134 1.00 0.00 WT1 H ATOM 6508 H2 TIP3W4677 35.532 37.084 11.960 1.00 0.00 WT1 H ATOM 6509 OH2 TIP3W4686 39.275 43.675 -5.589 1.00 0.00 WT1 O ATOM 6510 H1 TIP3W4686 38.912 44.343 -5.018 1.00 0.00 WT1 H ATOM 6511 H2 TIP3W4686 40.009 43.230 -5.056 1.00 0.00 WT1 H ATOM 6512 OH2 TIP3W4687 43.627 35.965 -8.842 1.00 0.00 WT1 O ATOM 6513 H1 TIP3W4687 43.341 36.330 -7.980 1.00 0.00 WT1 H ATOM 6514 H2 TIP3W4687 43.364 36.697 -9.393 1.00 0.00 WT1 H ATOM 6515 OH2 TIP3W4689 43.023 41.304 1.704 1.00 0.00 WT1 O ATOM 6516 H1 TIP3W4689 43.242 42.237 1.814 1.00 0.00 WT1 H ATOM 6517 H2 TIP3W4689 42.213 41.374 1.175 1.00 0.00 WT1 H ATOM 6518 OH2 TIP3W4690 30.085 47.983 -2.748 1.00 0.00 WT1 O ATOM 6519 H1 TIP3W4690 30.954 48.308 -3.179 1.00 0.00 WT1 H ATOM 6520 H2 TIP3W4690 29.420 48.616 -3.006 1.00 0.00 WT1 H ATOM 6521 OH2 TIP3W4691 45.277 38.124 2.763 1.00 0.00 WT1 O ATOM 6522 H1 TIP3W4691 46.067 38.714 2.866 1.00 0.00 WT1 H ATOM 6523 H2 TIP3W4691 44.555 38.698 2.787 1.00 0.00 WT1 H ATOM 6524 OH2 TIP3W4692 32.997 38.181 15.510 1.00 0.00 WT1 O ATOM 6525 H1 TIP3W4692 33.424 38.570 16.276 1.00 0.00 WT1 H ATOM 6526 H2 TIP3W4692 33.713 37.594 15.176 1.00 0.00 WT1 H ATOM 6527 OH2 TIP3W4693 39.718 43.475 7.879 1.00 0.00 WT1 O ATOM 6528 H1 TIP3W4693 40.111 44.206 8.487 1.00 0.00 WT1 H ATOM 6529 H2 TIP3W4693 40.100 42.712 8.277 1.00 0.00 WT1 H ATOM 6530 OH2 TIP3W4694 46.303 43.365 -1.325 1.00 0.00 WT1 O ATOM 6531 H1 TIP3W4694 46.536 43.686 -2.274 1.00 0.00 WT1 H ATOM 6532 H2 TIP3W4694 46.417 42.390 -1.415 1.00 0.00 WT1 H ATOM 6533 OH2 TIP3W4695 28.087 24.593 20.013 1.00 0.00 WT1 O ATOM 6534 H1 TIP3W4695 28.754 24.128 20.511 1.00 0.00 WT1 H ATOM 6535 H2 TIP3W4695 27.477 24.762 20.756 1.00 0.00 WT1 H ATOM 6536 OH2 TIP3W4696 41.421 41.505 11.645 1.00 0.00 WT1 O ATOM 6537 H1 TIP3W4696 40.978 41.917 12.444 1.00 0.00 WT1 H ATOM 6538 H2 TIP3W4696 41.381 40.522 11.755 1.00 0.00 WT1 H ATOM 6539 OH2 TIP3W4697 36.131 47.976 20.586 1.00 0.00 WT1 O ATOM 6540 H1 TIP3W4697 35.942 48.064 19.587 1.00 0.00 WT1 H ATOM 6541 H2 TIP3W4697 35.835 48.819 20.914 1.00 0.00 WT1 H ATOM 6542 OH2 TIP3W4700 42.587 49.398 17.334 1.00 0.00 WT1 O ATOM 6543 H1 TIP3W4700 42.495 49.949 16.469 1.00 0.00 WT1 H ATOM 6544 H2 TIP3W4700 42.264 49.950 18.084 1.00 0.00 WT1 H ATOM 6545 OH2 TIP3W4708 32.285 44.127 -2.870 1.00 0.00 WT1 O ATOM 6546 H1 TIP3W4708 31.955 43.995 -1.993 1.00 0.00 WT1 H ATOM 6547 H2 TIP3W4708 32.864 44.902 -2.793 1.00 0.00 WT1 H ATOM 6548 OH2 TIP3W4710 36.191 40.199 -15.394 1.00 0.00 WT1 O ATOM 6549 H1 TIP3W4710 35.929 39.339 -15.092 1.00 0.00 WT1 H ATOM 6550 H2 TIP3W4710 37.066 40.306 -14.978 1.00 0.00 WT1 H ATOM 6551 OH2 TIP3W4713 35.672 42.506 -5.273 1.00 0.00 WT1 O ATOM 6552 H1 TIP3W4713 36.226 42.846 -5.990 1.00 0.00 WT1 H ATOM 6553 H2 TIP3W4713 35.995 41.604 -5.194 1.00 0.00 WT1 H ATOM 6554 OH2 TIP3W4714 49.988 44.893 11.598 1.00 0.00 WT1 O ATOM 6555 H1 TIP3W4714 50.868 44.745 11.190 1.00 0.00 WT1 H ATOM 6556 H2 TIP3W4714 49.738 45.837 11.403 1.00 0.00 WT1 H ATOM 6557 OH2 TIP3W4715 48.028 38.247 20.274 1.00 0.00 WT1 O ATOM 6558 H1 TIP3W4715 47.062 38.358 20.468 1.00 0.00 WT1 H ATOM 6559 H2 TIP3W4715 48.205 37.477 20.869 1.00 0.00 WT1 H ATOM 6560 OH2 TIP3W4717 47.633 43.929 10.062 1.00 0.00 WT1 O ATOM 6561 H1 TIP3W4717 48.307 44.086 10.699 1.00 0.00 WT1 H ATOM 6562 H2 TIP3W4717 48.059 43.553 9.318 1.00 0.00 WT1 H ATOM 6563 OH2 TIP3W4725 43.430 29.534 -13.677 1.00 0.00 WT1 O ATOM 6564 H1 TIP3W4725 43.376 30.009 -12.781 1.00 0.00 WT1 H ATOM 6565 H2 TIP3W4725 42.844 30.107 -14.189 1.00 0.00 WT1 H ATOM 6566 OH2 TIP3W4731 36.085 49.281 5.927 1.00 0.00 WT1 O ATOM 6567 H1 TIP3W4731 36.217 48.501 5.288 1.00 0.00 WT1 H ATOM 6568 H2 TIP3W4731 35.101 49.266 6.002 1.00 0.00 WT1 H ATOM 6569 OH2 TIP3W4732 43.601 33.020 -14.951 1.00 0.00 WT1 O ATOM 6570 H1 TIP3W4732 42.862 33.545 -15.158 1.00 0.00 WT1 H ATOM 6571 H2 TIP3W4732 43.260 32.123 -15.108 1.00 0.00 WT1 H ATOM 6572 OH2 TIP3W4734 44.058 46.418 19.941 1.00 0.00 WT1 O ATOM 6573 H1 TIP3W4734 44.881 46.983 19.998 1.00 0.00 WT1 H ATOM 6574 H2 TIP3W4734 44.133 46.054 19.094 1.00 0.00 WT1 H ATOM 6575 OH2 TIP3W4735 45.789 41.942 10.080 1.00 0.00 WT1 O ATOM 6576 H1 TIP3W4735 46.413 41.181 10.119 1.00 0.00 WT1 H ATOM 6577 H2 TIP3W4735 46.418 42.644 10.278 1.00 0.00 WT1 H ATOM 6578 OH2 TIP3W4736 47.227 50.750 11.461 1.00 0.00 WT1 O ATOM 6579 H1 TIP3W4736 47.948 50.782 10.854 1.00 0.00 WT1 H ATOM 6580 H2 TIP3W4736 47.441 50.016 12.044 1.00 0.00 WT1 H ATOM 6581 OH2 TIP3W4738 33.346 48.968 10.614 1.00 0.00 WT1 O ATOM 6582 H1 TIP3W4738 33.758 48.430 9.881 1.00 0.00 WT1 H ATOM 6583 H2 TIP3W4738 33.977 49.613 10.782 1.00 0.00 WT1 H ATOM 6584 OH2 TIP3W4740 34.262 45.939 13.057 1.00 0.00 WT1 O ATOM 6585 H1 TIP3W4740 33.423 45.766 13.236 1.00 0.00 WT1 H ATOM 6586 H2 TIP3W4740 34.346 46.833 13.288 1.00 0.00 WT1 H ATOM 6587 OH2 TIP3W4750 36.582 40.494 -11.918 1.00 0.00 WT1 O ATOM 6588 H1 TIP3W4750 36.937 39.631 -11.833 1.00 0.00 WT1 H ATOM 6589 H2 TIP3W4750 37.388 41.075 -11.840 1.00 0.00 WT1 H ATOM 6590 OH2 TIP3W4753 37.178 46.127 5.708 1.00 0.00 WT1 O ATOM 6591 H1 TIP3W4753 37.379 45.842 4.765 1.00 0.00 WT1 H ATOM 6592 H2 TIP3W4753 37.099 45.299 6.190 1.00 0.00 WT1 H ATOM 6593 OH2 TIP3W4755 40.308 47.017 2.868 1.00 0.00 WT1 O ATOM 6594 H1 TIP3W4755 40.692 46.102 2.895 1.00 0.00 WT1 H ATOM 6595 H2 TIP3W4755 40.532 47.310 1.959 1.00 0.00 WT1 H ATOM 6596 OH2 TIP3W4773 21.023 48.012 0.731 1.00 0.00 WT1 O ATOM 6597 H1 TIP3W4773 21.020 48.946 0.507 1.00 0.00 WT1 H ATOM 6598 H2 TIP3W4773 21.663 48.016 1.478 1.00 0.00 WT1 H ATOM 6599 OH2 TIP3W4776 23.210 46.347 6.487 1.00 0.00 WT1 O ATOM 6600 H1 TIP3W4776 22.786 45.488 6.286 1.00 0.00 WT1 H ATOM 6601 H2 TIP3W4776 23.379 46.292 7.466 1.00 0.00 WT1 H ATOM 6602 OH2 TIP3W4778 42.555 39.175 19.593 1.00 0.00 WT1 O ATOM 6603 H1 TIP3W4778 42.709 38.504 20.284 1.00 0.00 WT1 H ATOM 6604 H2 TIP3W4778 41.946 39.730 20.072 1.00 0.00 WT1 H ATOM 6605 OH2 TIP3W4779 18.765 50.345 20.486 1.00 0.00 WT1 O ATOM 6606 H1 TIP3W4779 18.632 50.706 19.546 1.00 0.00 WT1 H ATOM 6607 H2 TIP3W4779 18.132 50.868 21.030 1.00 0.00 WT1 H ATOM 6608 OH2 TIP3W4790 40.455 50.618 -14.599 1.00 0.00 WT1 O ATOM 6609 H1 TIP3W4790 39.535 50.402 -14.544 1.00 0.00 WT1 H ATOM 6610 H2 TIP3W4790 40.627 50.665 -15.575 1.00 0.00 WT1 H ATOM 6611 OH2 TIP3W4791 32.690 41.996 -19.245 1.00 0.00 WT1 O ATOM 6612 H1 TIP3W4791 33.664 42.221 -19.118 1.00 0.00 WT1 H ATOM 6613 H2 TIP3W4791 32.296 42.751 -18.949 1.00 0.00 WT1 H ATOM 6614 OH2 TIP3W4798 23.995 -0.568 0.558 1.00 0.00 WT1 O ATOM 6615 H1 TIP3W4798 24.571 0.065 0.943 1.00 0.00 WT1 H ATOM 6616 H2 TIP3W4798 23.814 -0.131 -0.307 1.00 0.00 WT1 H ATOM 6617 OH2 TIP3W4800 41.125 -0.789 13.262 1.00 0.00 WT1 O ATOM 6618 H1 TIP3W4800 40.487 -0.185 12.881 1.00 0.00 WT1 H ATOM 6619 H2 TIP3W4800 41.564 -0.220 13.893 1.00 0.00 WT1 H ATOM 6620 OH2 TIP3W4808 45.473 4.007 -17.592 1.00 0.00 WT1 O ATOM 6621 H1 TIP3W4808 44.886 3.989 -16.794 1.00 0.00 WT1 H ATOM 6622 H2 TIP3W4808 45.725 3.007 -17.601 1.00 0.00 WT1 H ATOM 6623 OH2 TIP3W4809 20.208 1.863 -20.146 1.00 0.00 WT1 O ATOM 6624 H1 TIP3W4809 20.147 2.547 -19.435 1.00 0.00 WT1 H ATOM 6625 H2 TIP3W4809 19.375 1.366 -20.005 1.00 0.00 WT1 H ATOM 6626 OH2 TIP3W4813 25.684 46.855 -9.657 1.00 0.00 WT1 O ATOM 6627 H1 TIP3W4813 25.394 47.820 -9.759 1.00 0.00 WT1 H ATOM 6628 H2 TIP3W4813 26.350 46.694 -10.275 1.00 0.00 WT1 H ATOM 6629 OH2 TIP3W4815 31.252 0.927 5.031 1.00 0.00 WT1 O ATOM 6630 H1 TIP3W4815 31.547 0.927 5.900 1.00 0.00 WT1 H ATOM 6631 H2 TIP3W4815 30.763 1.746 5.003 1.00 0.00 WT1 H ATOM 6632 OH2 TIP3W4816 23.606 49.642 -5.829 1.00 0.00 WT1 O ATOM 6633 H1 TIP3W4816 23.356 50.270 -6.505 1.00 0.00 WT1 H ATOM 6634 H2 TIP3W4816 23.917 48.913 -6.314 1.00 0.00 WT1 H ATOM 6635 OH2 TIP3W4817 26.989 47.719 17.877 1.00 0.00 WT1 O ATOM 6636 H1 TIP3W4817 26.687 46.999 17.361 1.00 0.00 WT1 H ATOM 6637 H2 TIP3W4817 26.151 48.125 18.104 1.00 0.00 WT1 H ATOM 6638 OH2 TIP3W4820 39.211 2.209 1.184 1.00 0.00 WT1 O ATOM 6639 H1 TIP3W4820 38.897 1.304 1.084 1.00 0.00 WT1 H ATOM 6640 H2 TIP3W4820 38.512 2.587 1.783 1.00 0.00 WT1 H ATOM 6641 OH2 TIP3W4821 32.015 2.732 20.327 1.00 0.00 WT1 O ATOM 6642 H1 TIP3W4821 31.838 1.948 19.797 1.00 0.00 WT1 H ATOM 6643 H2 TIP3W4821 32.537 3.376 19.816 1.00 0.00 WT1 H ATOM 6644 OH2 TIP3W4822 38.376 -0.388 2.743 1.00 0.00 WT1 O ATOM 6645 H1 TIP3W4822 37.683 -0.794 2.308 1.00 0.00 WT1 H ATOM 6646 H2 TIP3W4822 37.979 -0.037 3.595 1.00 0.00 WT1 H ATOM 6647 OH2 TIP3W4834 38.648 1.519 -20.884 1.00 0.00 WT1 O ATOM 6648 H1 TIP3W4834 39.371 2.188 -20.985 1.00 0.00 WT1 H ATOM 6649 H2 TIP3W4834 37.950 2.001 -20.646 1.00 0.00 WT1 H ATOM 6650 OH2 TIP3W4835 31.991 1.037 -15.241 1.00 0.00 WT1 O ATOM 6651 H1 TIP3W4835 32.276 0.300 -15.804 1.00 0.00 WT1 H ATOM 6652 H2 TIP3W4835 30.990 0.982 -15.201 1.00 0.00 WT1 H ATOM 6653 OH2 TIP3W4836 43.988 -1.068 -18.305 1.00 0.00 WT1 O ATOM 6654 H1 TIP3W4836 43.226 -1.102 -18.910 1.00 0.00 WT1 H ATOM 6655 H2 TIP3W4836 43.734 -0.494 -17.562 1.00 0.00 WT1 H ATOM 6656 OH2 TIP3W4837 25.282 1.985 0.789 1.00 0.00 WT1 O ATOM 6657 H1 TIP3W4837 25.779 2.080 1.628 1.00 0.00 WT1 H ATOM 6658 H2 TIP3W4837 24.887 2.808 0.760 1.00 0.00 WT1 H ATOM 6659 OH2 TIP3W4844 39.136 -0.120 11.386 1.00 0.00 WT1 O ATOM 6660 H1 TIP3W4844 38.328 -0.313 11.867 1.00 0.00 WT1 H ATOM 6661 H2 TIP3W4844 38.963 -0.467 10.483 1.00 0.00 WT1 H ATOM 6662 OH2 TIP3W4849 20.818 8.148 -14.113 1.00 0.00 WT1 O ATOM 6663 H1 TIP3W4849 20.554 7.608 -14.860 1.00 0.00 WT1 H ATOM 6664 H2 TIP3W4849 21.614 8.591 -14.278 1.00 0.00 WT1 H ATOM 6665 OH2 TIP3W4851 45.038 20.078 -20.963 1.00 0.00 WT1 O ATOM 6666 H1 TIP3W4851 44.426 20.690 -21.428 1.00 0.00 WT1 H ATOM 6667 H2 TIP3W4851 45.796 20.686 -20.726 1.00 0.00 WT1 H ATOM 6668 OH2 TIP3W4853 36.295 3.369 -20.490 1.00 0.00 WT1 O ATOM 6669 H1 TIP3W4853 36.063 3.453 -19.523 1.00 0.00 WT1 H ATOM 6670 H2 TIP3W4853 35.387 3.358 -20.945 1.00 0.00 WT1 H ATOM 6671 OH2 TIP3W4856 26.547 2.038 3.238 1.00 0.00 WT1 O ATOM 6672 H1 TIP3W4856 27.450 1.892 2.874 1.00 0.00 WT1 H ATOM 6673 H2 TIP3W4856 26.651 2.412 4.116 1.00 0.00 WT1 H ATOM 6674 OH2 TIP3W4858 50.894 2.314 6.292 1.00 0.00 WT1 O ATOM 6675 H1 TIP3W4858 51.514 2.204 5.579 1.00 0.00 WT1 H ATOM 6676 H2 TIP3W4858 50.917 1.422 6.627 1.00 0.00 WT1 H ATOM 6677 OH2 TIP3W4861 45.359 3.427 8.165 1.00 0.00 WT1 O ATOM 6678 H1 TIP3W4861 45.930 3.280 8.955 1.00 0.00 WT1 H ATOM 6679 H2 TIP3W4861 45.486 4.366 8.019 1.00 0.00 WT1 H ATOM 6680 OH2 TIP3W4864 38.047 19.128 20.624 1.00 0.00 WT1 O ATOM 6681 H1 TIP3W4864 38.185 18.382 20.003 1.00 0.00 WT1 H ATOM 6682 H2 TIP3W4864 37.924 18.599 21.429 1.00 0.00 WT1 H ATOM 6683 OH2 TIP3W4866 33.322 0.467 11.862 1.00 0.00 WT1 O ATOM 6684 H1 TIP3W4866 34.212 0.736 12.092 1.00 0.00 WT1 H ATOM 6685 H2 TIP3W4866 32.846 1.256 12.027 1.00 0.00 WT1 H ATOM 6686 OH2 TIP3W4872 42.776 21.592 -21.434 1.00 0.00 WT1 O ATOM 6687 H1 TIP3W4872 42.259 22.419 -21.481 1.00 0.00 WT1 H ATOM 6688 H2 TIP3W4872 42.169 21.092 -20.918 1.00 0.00 WT1 H ATOM 6689 OH2 TIP3W4875 36.562 1.691 -16.064 1.00 0.00 WT1 O ATOM 6690 H1 TIP3W4875 36.662 1.434 -15.148 1.00 0.00 WT1 H ATOM 6691 H2 TIP3W4875 37.079 0.989 -16.519 1.00 0.00 WT1 H ATOM 6692 OH2 TIP3W4877 50.233 -0.155 -1.326 1.00 0.00 WT1 O ATOM 6693 H1 TIP3W4877 50.691 -0.136 -0.416 1.00 0.00 WT1 H ATOM 6694 H2 TIP3W4877 50.291 -1.073 -1.544 1.00 0.00 WT1 H ATOM 6695 OH2 TIP3W4880 39.474 3.013 4.436 1.00 0.00 WT1 O ATOM 6696 H1 TIP3W4880 39.738 3.206 3.521 1.00 0.00 WT1 H ATOM 6697 H2 TIP3W4880 39.566 2.054 4.494 1.00 0.00 WT1 H ATOM 6698 OH2 TIP3W4881 31.218 14.841 16.994 1.00 0.00 WT1 O ATOM 6699 H1 TIP3W4881 31.871 14.369 17.556 1.00 0.00 WT1 H ATOM 6700 H2 TIP3W4881 31.426 14.438 16.116 1.00 0.00 WT1 H ATOM 6701 OH2 TIP3W4882 40.961 8.084 19.994 1.00 0.00 WT1 O ATOM 6702 H1 TIP3W4882 41.484 8.774 19.617 1.00 0.00 WT1 H ATOM 6703 H2 TIP3W4882 40.147 8.147 19.433 1.00 0.00 WT1 H ATOM 6704 OH2 TIP3W4884 47.741 4.457 11.189 1.00 0.00 WT1 O ATOM 6705 H1 TIP3W4884 47.446 3.665 10.629 1.00 0.00 WT1 H ATOM 6706 H2 TIP3W4884 46.921 4.607 11.758 1.00 0.00 WT1 H ATOM 6707 OH2 TIP3W4887 27.890 1.964 15.056 1.00 0.00 WT1 O ATOM 6708 H1 TIP3W4887 28.752 1.565 15.162 1.00 0.00 WT1 H ATOM 6709 H2 TIP3W4887 27.386 1.261 14.545 1.00 0.00 WT1 H ATOM 6710 OH2 TIP3W4890 44.278 45.554 -20.332 1.00 0.00 WT1 O ATOM 6711 H1 TIP3W4890 43.331 45.580 -20.207 1.00 0.00 WT1 H ATOM 6712 H2 TIP3W4890 44.497 46.418 -20.674 1.00 0.00 WT1 H ATOM 6713 OH2 TIP3W4893 43.373 12.667 -11.275 1.00 0.00 WT1 O ATOM 6714 H1 TIP3W4893 42.666 13.031 -11.833 1.00 0.00 WT1 H ATOM 6715 H2 TIP3W4893 43.184 12.995 -10.378 1.00 0.00 WT1 H ATOM 6716 OH2 TIP3W4897 39.018 8.430 -14.054 1.00 0.00 WT1 O ATOM 6717 H1 TIP3W4897 38.726 7.537 -13.971 1.00 0.00 WT1 H ATOM 6718 H2 TIP3W4897 38.498 8.735 -14.793 1.00 0.00 WT1 H ATOM 6719 OH2 TIP3W4899 31.294 5.571 -5.214 1.00 0.00 WT1 O ATOM 6720 H1 TIP3W4899 32.012 4.907 -5.036 1.00 0.00 WT1 H ATOM 6721 H2 TIP3W4899 30.764 5.618 -4.390 1.00 0.00 WT1 H ATOM 6722 OH2 TIP3W4901 23.649 1.187 20.313 1.00 0.00 WT1 O ATOM 6723 H1 TIP3W4901 24.069 1.572 19.542 1.00 0.00 WT1 H ATOM 6724 H2 TIP3W4901 24.359 1.224 20.930 1.00 0.00 WT1 H ATOM 6725 OH2 TIP3W4903 35.235 6.499 11.375 1.00 0.00 WT1 O ATOM 6726 H1 TIP3W4903 36.144 6.545 10.895 1.00 0.00 WT1 H ATOM 6727 H2 TIP3W4903 35.202 5.537 11.595 1.00 0.00 WT1 H ATOM 6728 OH2 TIP3W4905 28.797 15.929 18.108 1.00 0.00 WT1 O ATOM 6729 H1 TIP3W4905 29.644 15.601 17.699 1.00 0.00 WT1 H ATOM 6730 H2 TIP3W4905 29.029 16.813 18.444 1.00 0.00 WT1 H ATOM 6731 OH2 TIP3W4908 35.616 9.059 15.237 1.00 0.00 WT1 O ATOM 6732 H1 TIP3W4908 36.009 8.446 15.862 1.00 0.00 WT1 H ATOM 6733 H2 TIP3W4908 36.058 8.763 14.406 1.00 0.00 WT1 H ATOM 6734 OH2 TIP3W4911 41.578 3.424 21.115 1.00 0.00 WT1 O ATOM 6735 H1 TIP3W4911 42.235 3.484 21.765 1.00 0.00 WT1 H ATOM 6736 H2 TIP3W4911 41.609 4.278 20.687 1.00 0.00 WT1 H ATOM 6737 OH2 TIP3W4914 45.186 7.890 -18.945 1.00 0.00 WT1 O ATOM 6738 H1 TIP3W4914 45.218 7.840 -19.889 1.00 0.00 WT1 H ATOM 6739 H2 TIP3W4914 44.321 8.150 -18.736 1.00 0.00 WT1 H ATOM 6740 OH2 TIP3W4915 37.462 0.538 -13.518 1.00 0.00 WT1 O ATOM 6741 H1 TIP3W4915 36.999 -0.196 -13.897 1.00 0.00 WT1 H ATOM 6742 H2 TIP3W4915 38.114 0.129 -12.885 1.00 0.00 WT1 H ATOM 6743 OH2 TIP3W4916 32.120 12.480 -17.611 1.00 0.00 WT1 O ATOM 6744 H1 TIP3W4916 31.172 12.246 -17.736 1.00 0.00 WT1 H ATOM 6745 H2 TIP3W4916 32.141 13.209 -16.989 1.00 0.00 WT1 H ATOM 6746 OH2 TIP3W4919 48.592 14.531 -3.988 1.00 0.00 WT1 O ATOM 6747 H1 TIP3W4919 48.629 15.409 -4.277 1.00 0.00 WT1 H ATOM 6748 H2 TIP3W4919 48.101 14.590 -3.167 1.00 0.00 WT1 H ATOM 6749 OH2 TIP3W4920 40.094 27.407 9.532 1.00 0.00 WT1 O ATOM 6750 H1 TIP3W4920 40.190 27.383 10.536 1.00 0.00 WT1 H ATOM 6751 H2 TIP3W4920 41.022 27.375 9.284 1.00 0.00 WT1 H ATOM 6752 OH2 TIP3W4924 38.397 1.762 -6.408 1.00 0.00 WT1 O ATOM 6753 H1 TIP3W4924 38.872 1.706 -7.240 1.00 0.00 WT1 H ATOM 6754 H2 TIP3W4924 37.441 1.756 -6.773 1.00 0.00 WT1 H ATOM 6755 OH2 TIP3W4925 39.731 12.044 19.582 1.00 0.00 WT1 O ATOM 6756 H1 TIP3W4925 40.516 12.313 20.046 1.00 0.00 WT1 H ATOM 6757 H2 TIP3W4925 39.406 11.414 20.231 1.00 0.00 WT1 H ATOM 6758 OH2 TIP3W4927 36.442 3.333 14.994 1.00 0.00 WT1 O ATOM 6759 H1 TIP3W4927 36.773 2.954 15.821 1.00 0.00 WT1 H ATOM 6760 H2 TIP3W4927 37.161 3.891 14.669 1.00 0.00 WT1 H ATOM 6761 OH2 TIP3W4933 30.299 18.568 21.454 1.00 0.00 WT1 O ATOM 6762 H1 TIP3W4933 29.430 18.085 21.198 1.00 0.00 WT1 H ATOM 6763 H2 TIP3W4933 30.897 17.880 21.781 1.00 0.00 WT1 H ATOM 6764 OH2 TIP3W4934 51.861 7.109 -20.005 1.00 0.00 WT1 O ATOM 6765 H1 TIP3W4934 51.761 7.477 -19.065 1.00 0.00 WT1 H ATOM 6766 H2 TIP3W4934 52.507 6.374 -19.857 1.00 0.00 WT1 H ATOM 6767 OH2 TIP3W4935 52.145 8.915 -2.033 1.00 0.00 WT1 O ATOM 6768 H1 TIP3W4935 51.532 9.308 -2.692 1.00 0.00 WT1 H ATOM 6769 H2 TIP3W4935 52.540 8.231 -2.663 1.00 0.00 WT1 H ATOM 6770 OH2 TIP3W4936 40.792 15.767 -13.361 1.00 0.00 WT1 O ATOM 6771 H1 TIP3W4936 40.316 15.002 -13.699 1.00 0.00 WT1 H ATOM 6772 H2 TIP3W4936 41.727 15.596 -13.647 1.00 0.00 WT1 H ATOM 6773 OH2 TIP3W4937 30.195 1.786 -18.592 1.00 0.00 WT1 O ATOM 6774 H1 TIP3W4937 29.529 1.199 -18.125 1.00 0.00 WT1 H ATOM 6775 H2 TIP3W4937 30.678 2.199 -17.879 1.00 0.00 WT1 H ATOM 6776 OH2 TIP3W4942 39.304 5.832 -8.774 1.00 0.00 WT1 O ATOM 6777 H1 TIP3W4942 39.157 4.898 -8.782 1.00 0.00 WT1 H ATOM 6778 H2 TIP3W4942 38.507 6.245 -8.421 1.00 0.00 WT1 H ATOM 6779 OH2 TIP3W4947 45.880 -1.349 10.381 1.00 0.00 WT1 O ATOM 6780 H1 TIP3W4947 44.892 -1.393 10.533 1.00 0.00 WT1 H ATOM 6781 H2 TIP3W4947 46.201 -1.371 11.243 1.00 0.00 WT1 H ATOM 6782 OH2 TIP3W4957 42.236 10.797 -13.783 1.00 0.00 WT1 O ATOM 6783 H1 TIP3W4957 41.854 11.056 -12.954 1.00 0.00 WT1 H ATOM 6784 H2 TIP3W4957 42.090 9.827 -13.856 1.00 0.00 WT1 H ATOM 6785 OH2 TIP3W4964 44.621 11.478 4.607 1.00 0.00 WT1 O ATOM 6786 H1 TIP3W4964 45.388 10.901 4.458 1.00 0.00 WT1 H ATOM 6787 H2 TIP3W4964 44.832 11.940 5.471 1.00 0.00 WT1 H ATOM 6788 OH2 TIP3W4965 43.599 21.361 -5.699 1.00 0.00 WT1 O ATOM 6789 H1 TIP3W4965 44.259 21.953 -6.174 1.00 0.00 WT1 H ATOM 6790 H2 TIP3W4965 43.099 20.974 -6.425 1.00 0.00 WT1 H ATOM 6791 OH2 TIP3W4966 42.753 10.535 12.194 1.00 0.00 WT1 O ATOM 6792 H1 TIP3W4966 43.631 10.969 12.417 1.00 0.00 WT1 H ATOM 6793 H2 TIP3W4966 42.696 9.922 12.950 1.00 0.00 WT1 H ATOM 6794 OH2 TIP3W4971 10.147 20.132 20.027 1.00 0.00 WT1 O ATOM 6795 H1 TIP3W4971 9.572 20.296 20.742 1.00 0.00 WT1 H ATOM 6796 H2 TIP3W4971 10.624 20.975 19.833 1.00 0.00 WT1 H ATOM 6797 OH2 TIP3W4980 36.678 7.340 -20.854 1.00 0.00 WT1 O ATOM 6798 H1 TIP3W4980 35.804 7.599 -20.656 1.00 0.00 WT1 H ATOM 6799 H2 TIP3W4980 36.616 6.663 -21.608 1.00 0.00 WT1 H ATOM 6800 OH2 TIP3W4985 47.826 16.984 0.543 1.00 0.00 WT1 O ATOM 6801 H1 TIP3W4985 48.028 17.899 0.326 1.00 0.00 WT1 H ATOM 6802 H2 TIP3W4985 48.293 16.518 -0.127 1.00 0.00 WT1 H ATOM 6803 OH2 TIP3W4987 32.013 27.138 19.169 1.00 0.00 WT1 O ATOM 6804 H1 TIP3W4987 31.072 26.889 19.042 1.00 0.00 WT1 H ATOM 6805 H2 TIP3W4987 32.323 27.083 18.245 1.00 0.00 WT1 H ATOM 6806 OH2 TIP3W4996 47.719 10.738 -19.308 1.00 0.00 WT1 O ATOM 6807 H1 TIP3W4996 46.989 10.481 -19.800 1.00 0.00 WT1 H ATOM 6808 H2 TIP3W4996 48.234 9.875 -19.094 1.00 0.00 WT1 H ATOM 6809 OH2 TIP3W4998 43.259 28.289 -20.870 1.00 0.00 WT1 O ATOM 6810 H1 TIP3W4998 43.787 27.860 -21.577 1.00 0.00 WT1 H ATOM 6811 H2 TIP3W4998 44.009 28.618 -20.182 1.00 0.00 WT1 H ATOM 6812 OH2 TIP3W5002 46.228 21.909 -12.013 1.00 0.00 WT1 O ATOM 6813 H1 TIP3W5002 45.672 21.582 -12.734 1.00 0.00 WT1 H ATOM 6814 H2 TIP3W5002 46.307 22.903 -12.260 1.00 0.00 WT1 H ATOM 6815 OH2 TIP3W5004 51.415 27.781 -13.090 1.00 0.00 WT1 O ATOM 6816 H1 TIP3W5004 50.724 28.022 -13.707 1.00 0.00 WT1 H ATOM 6817 H2 TIP3W5004 52.098 27.619 -13.769 1.00 0.00 WT1 H ATOM 6818 OH2 TIP3W5010 46.507 16.150 12.314 1.00 0.00 WT1 O ATOM 6819 H1 TIP3W5010 47.190 15.582 11.942 1.00 0.00 WT1 H ATOM 6820 H2 TIP3W5010 46.090 16.581 11.535 1.00 0.00 WT1 H ATOM 6821 OH2 TIP3W5012 34.611 26.668 20.899 1.00 0.00 WT1 O ATOM 6822 H1 TIP3W5012 33.737 26.507 20.487 1.00 0.00 WT1 H ATOM 6823 H2 TIP3W5012 34.943 27.403 20.372 1.00 0.00 WT1 H ATOM 6824 OH2 TIP3W5013 23.146 16.618 19.315 1.00 0.00 WT1 O ATOM 6825 H1 TIP3W5013 23.964 16.978 19.088 1.00 0.00 WT1 H ATOM 6826 H2 TIP3W5013 23.266 16.284 20.269 1.00 0.00 WT1 H ATOM 6827 OH2 TIP3W5021 39.680 29.875 -12.762 1.00 0.00 WT1 O ATOM 6828 H1 TIP3W5021 39.729 28.910 -12.884 1.00 0.00 WT1 H ATOM 6829 H2 TIP3W5021 38.791 29.988 -12.423 1.00 0.00 WT1 H ATOM 6830 OH2 TIP3W5023 38.027 27.981 -14.743 1.00 0.00 WT1 O ATOM 6831 H1 TIP3W5023 37.481 28.456 -15.392 1.00 0.00 WT1 H ATOM 6832 H2 TIP3W5023 38.825 27.859 -15.279 1.00 0.00 WT1 H ATOM 6833 OH2 TIP3W5024 37.902 27.495 13.573 1.00 0.00 WT1 O ATOM 6834 H1 TIP3W5024 37.998 27.602 14.503 1.00 0.00 WT1 H ATOM 6835 H2 TIP3W5024 38.212 26.606 13.354 1.00 0.00 WT1 H ATOM 6836 OH2 TIP3W5026 47.699 34.790 7.066 1.00 0.00 WT1 O ATOM 6837 H1 TIP3W5026 47.173 35.354 6.500 1.00 0.00 WT1 H ATOM 6838 H2 TIP3W5026 47.984 35.403 7.764 1.00 0.00 WT1 H ATOM 6839 OH2 TIP3W5028 33.657 32.449 15.555 1.00 0.00 WT1 O ATOM 6840 H1 TIP3W5028 33.390 33.228 15.984 1.00 0.00 WT1 H ATOM 6841 H2 TIP3W5028 34.139 32.838 14.804 1.00 0.00 WT1 H ATOM 6842 OH2 TIP3W5029 37.712 30.801 15.953 1.00 0.00 WT1 O ATOM 6843 H1 TIP3W5029 38.576 31.177 16.211 1.00 0.00 WT1 H ATOM 6844 H2 TIP3W5029 37.849 30.769 14.961 1.00 0.00 WT1 H ATOM 6845 OH2 TIP3W5030 41.953 30.112 19.537 1.00 0.00 WT1 O ATOM 6846 H1 TIP3W5030 42.235 29.288 19.967 1.00 0.00 WT1 H ATOM 6847 H2 TIP3W5030 41.639 30.561 20.361 1.00 0.00 WT1 H ATOM 6848 OH2 TIP3W5042 44.685 36.656 8.323 1.00 0.00 WT1 O ATOM 6849 H1 TIP3W5042 43.869 36.076 8.232 1.00 0.00 WT1 H ATOM 6850 H2 TIP3W5042 45.123 36.264 9.094 1.00 0.00 WT1 H ATOM 6851 OH2 TIP3W5045 49.705 32.236 -5.839 1.00 0.00 WT1 O ATOM 6852 H1 TIP3W5045 49.707 33.169 -5.490 1.00 0.00 WT1 H ATOM 6853 H2 TIP3W5045 50.201 32.347 -6.729 1.00 0.00 WT1 H ATOM 6854 OH2 TIP3W5047 43.537 21.292 15.519 1.00 0.00 WT1 O ATOM 6855 H1 TIP3W5047 43.030 20.459 15.841 1.00 0.00 WT1 H ATOM 6856 H2 TIP3W5047 43.241 22.008 16.146 1.00 0.00 WT1 H ATOM 6857 OH2 TIP3W5048 40.365 21.682 17.616 1.00 0.00 WT1 O ATOM 6858 H1 TIP3W5048 39.925 21.850 16.791 1.00 0.00 WT1 H ATOM 6859 H2 TIP3W5048 41.311 21.943 17.497 1.00 0.00 WT1 H ATOM 6860 OH2 TIP3W5050 47.372 32.482 8.953 1.00 0.00 WT1 O ATOM 6861 H1 TIP3W5050 46.398 32.491 8.993 1.00 0.00 WT1 H ATOM 6862 H2 TIP3W5050 47.597 33.140 8.308 1.00 0.00 WT1 H ATOM 6863 OH2 TIP3W5053 40.547 41.756 14.177 1.00 0.00 WT1 O ATOM 6864 H1 TIP3W5053 40.917 41.607 15.091 1.00 0.00 WT1 H ATOM 6865 H2 TIP3W5053 39.561 41.653 14.299 1.00 0.00 WT1 H ATOM 6866 OH2 TIP3W5055 29.705 43.671 8.199 1.00 0.00 WT1 O ATOM 6867 H1 TIP3W5055 30.470 43.743 8.791 1.00 0.00 WT1 H ATOM 6868 H2 TIP3W5055 29.060 43.272 8.805 1.00 0.00 WT1 H ATOM 6869 OH2 TIP3W5056 42.714 22.482 20.079 1.00 0.00 WT1 O ATOM 6870 H1 TIP3W5056 43.053 22.012 20.837 1.00 0.00 WT1 H ATOM 6871 H2 TIP3W5056 42.056 23.111 20.446 1.00 0.00 WT1 H ATOM 6872 OH2 TIP3W5060 46.158 22.977 -15.209 1.00 0.00 WT1 O ATOM 6873 H1 TIP3W5060 45.634 22.156 -15.266 1.00 0.00 WT1 H ATOM 6874 H2 TIP3W5060 45.508 23.666 -14.910 1.00 0.00 WT1 H ATOM 6875 OH2 TIP3W5061 40.106 20.806 -12.434 1.00 0.00 WT1 O ATOM 6876 H1 TIP3W5061 39.684 20.588 -13.303 1.00 0.00 WT1 H ATOM 6877 H2 TIP3W5061 40.844 21.397 -12.696 1.00 0.00 WT1 H ATOM 6878 OH2 TIP3W5062 51.395 41.335 -8.040 1.00 0.00 WT1 O ATOM 6879 H1 TIP3W5062 50.605 40.797 -7.729 1.00 0.00 WT1 H ATOM 6880 H2 TIP3W5062 51.018 42.187 -8.122 1.00 0.00 WT1 H ATOM 6881 OH2 TIP3W5063 47.978 29.557 -16.945 1.00 0.00 WT1 O ATOM 6882 H1 TIP3W5063 47.171 29.809 -16.450 1.00 0.00 WT1 H ATOM 6883 H2 TIP3W5063 48.620 30.224 -16.773 1.00 0.00 WT1 H ATOM 6884 OH2 TIP3W5064 39.246 36.333 -13.308 1.00 0.00 WT1 O ATOM 6885 H1 TIP3W5064 38.487 35.774 -13.468 1.00 0.00 WT1 H ATOM 6886 H2 TIP3W5064 39.738 35.863 -12.596 1.00 0.00 WT1 H ATOM 6887 OH2 TIP3W5066 48.417 23.310 2.854 1.00 0.00 WT1 O ATOM 6888 H1 TIP3W5066 48.073 23.719 3.693 1.00 0.00 WT1 H ATOM 6889 H2 TIP3W5066 48.766 22.485 3.191 1.00 0.00 WT1 H ATOM 6890 OH2 TIP3W5067 45.336 32.812 -2.221 1.00 0.00 WT1 O ATOM 6891 H1 TIP3W5067 45.085 32.797 -1.310 1.00 0.00 WT1 H ATOM 6892 H2 TIP3W5067 44.835 31.994 -2.520 1.00 0.00 WT1 H ATOM 6893 OH2 TIP3W5068 39.332 33.769 -8.696 1.00 0.00 WT1 O ATOM 6894 H1 TIP3W5068 38.590 33.138 -8.901 1.00 0.00 WT1 H ATOM 6895 H2 TIP3W5068 39.377 33.852 -7.698 1.00 0.00 WT1 H ATOM 6896 OH2 TIP3W5069 45.641 40.213 -3.934 1.00 0.00 WT1 O ATOM 6897 H1 TIP3W5069 44.825 40.263 -4.479 1.00 0.00 WT1 H ATOM 6898 H2 TIP3W5069 46.163 40.942 -4.311 1.00 0.00 WT1 H ATOM 6899 OH2 TIP3W5075 37.766 31.341 13.191 1.00 0.00 WT1 O ATOM 6900 H1 TIP3W5075 38.559 31.593 12.758 1.00 0.00 WT1 H ATOM 6901 H2 TIP3W5075 37.314 32.167 13.395 1.00 0.00 WT1 H ATOM 6902 OH2 TIP3W5085 50.212 20.357 -15.715 1.00 0.00 WT1 O ATOM 6903 H1 TIP3W5085 50.964 20.131 -15.128 1.00 0.00 WT1 H ATOM 6904 H2 TIP3W5085 50.213 19.642 -16.325 1.00 0.00 WT1 H ATOM 6905 OH2 TIP3W5086 40.555 38.222 3.502 1.00 0.00 WT1 O ATOM 6906 H1 TIP3W5086 40.107 37.837 2.713 1.00 0.00 WT1 H ATOM 6907 H2 TIP3W5086 40.223 39.144 3.544 1.00 0.00 WT1 H ATOM 6908 OH2 TIP3W5087 42.845 36.795 4.007 1.00 0.00 WT1 O ATOM 6909 H1 TIP3W5087 42.141 37.489 3.872 1.00 0.00 WT1 H ATOM 6910 H2 TIP3W5087 42.806 36.187 3.268 1.00 0.00 WT1 H ATOM 6911 OH2 TIP3W5089 35.533 37.766 8.209 1.00 0.00 WT1 O ATOM 6912 H1 TIP3W5089 35.966 37.838 9.055 1.00 0.00 WT1 H ATOM 6913 H2 TIP3W5089 34.752 37.171 8.395 1.00 0.00 WT1 H ATOM 6914 OH2 TIP3W5091 28.910 39.165 -11.851 1.00 0.00 WT1 O ATOM 6915 H1 TIP3W5091 29.502 39.415 -12.605 1.00 0.00 WT1 H ATOM 6916 H2 TIP3W5091 28.435 38.438 -12.246 1.00 0.00 WT1 H ATOM 6917 OH2 TIP3W5092 49.357 27.780 18.957 1.00 0.00 WT1 O ATOM 6918 H1 TIP3W5092 48.430 27.825 18.957 1.00 0.00 WT1 H ATOM 6919 H2 TIP3W5092 49.544 27.673 18.028 1.00 0.00 WT1 H ATOM 6920 OH2 TIP3W5095 42.152 46.823 12.311 1.00 0.00 WT1 O ATOM 6921 H1 TIP3W5095 41.610 46.154 12.787 1.00 0.00 WT1 H ATOM 6922 H2 TIP3W5095 41.432 47.194 11.704 1.00 0.00 WT1 H ATOM 6923 OH2 TIP3W5104 34.261 45.035 -6.096 1.00 0.00 WT1 O ATOM 6924 H1 TIP3W5104 34.603 44.173 -5.671 1.00 0.00 WT1 H ATOM 6925 H2 TIP3W5104 33.326 44.949 -5.944 1.00 0.00 WT1 H ATOM 6926 OH2 TIP3W5106 39.057 33.661 -5.922 1.00 0.00 WT1 O ATOM 6927 H1 TIP3W5106 38.112 33.941 -5.657 1.00 0.00 WT1 H ATOM 6928 H2 TIP3W5106 39.337 33.099 -5.208 1.00 0.00 WT1 H ATOM 6929 OH2 TIP3W5108 32.499 41.478 -15.117 1.00 0.00 WT1 O ATOM 6930 H1 TIP3W5108 32.957 42.090 -15.693 1.00 0.00 WT1 H ATOM 6931 H2 TIP3W5108 31.755 41.164 -15.652 1.00 0.00 WT1 H ATOM 6932 OH2 TIP3W5109 44.756 46.810 -11.715 1.00 0.00 WT1 O ATOM 6933 H1 TIP3W5109 45.146 46.540 -12.587 1.00 0.00 WT1 H ATOM 6934 H2 TIP3W5109 45.433 47.407 -11.370 1.00 0.00 WT1 H ATOM 6935 OH2 TIP3W5111 34.097 46.024 -2.294 1.00 0.00 WT1 O ATOM 6936 H1 TIP3W5111 34.438 45.620 -1.511 1.00 0.00 WT1 H ATOM 6937 H2 TIP3W5111 34.669 46.801 -2.474 1.00 0.00 WT1 H ATOM 6938 OH2 TIP3W5112 37.288 42.744 1.229 1.00 0.00 WT1 O ATOM 6939 H1 TIP3W5112 37.632 43.388 1.834 1.00 0.00 WT1 H ATOM 6940 H2 TIP3W5112 36.456 42.366 1.636 1.00 0.00 WT1 H ATOM 6941 OH2 TIP3W5114 51.481 28.163 7.848 1.00 0.00 WT1 O ATOM 6942 H1 TIP3W5114 52.310 28.646 7.912 1.00 0.00 WT1 H ATOM 6943 H2 TIP3W5114 50.752 28.631 8.373 1.00 0.00 WT1 H ATOM 6944 OH2 TIP3W5117 42.505 32.507 1.185 1.00 0.00 WT1 O ATOM 6945 H1 TIP3W5117 43.367 32.091 0.966 1.00 0.00 WT1 H ATOM 6946 H2 TIP3W5117 42.705 33.457 1.264 1.00 0.00 WT1 H ATOM 6947 OH2 TIP3W5118 43.393 29.725 22.062 1.00 0.00 WT1 O ATOM 6948 H1 TIP3W5118 43.049 28.975 22.586 1.00 0.00 WT1 H ATOM 6949 H2 TIP3W5118 44.345 29.547 21.913 1.00 0.00 WT1 H ATOM 6950 OH2 TIP3W5125 42.679 31.980 5.719 1.00 0.00 WT1 O ATOM 6951 H1 TIP3W5125 43.502 31.872 5.160 1.00 0.00 WT1 H ATOM 6952 H2 TIP3W5125 42.724 32.875 6.124 1.00 0.00 WT1 H ATOM 6953 OH2 TIP3W5126 34.034 50.769 -12.004 1.00 0.00 WT1 O ATOM 6954 H1 TIP3W5126 34.458 49.964 -11.571 1.00 0.00 WT1 H ATOM 6955 H2 TIP3W5126 33.087 50.562 -12.208 1.00 0.00 WT1 H ATOM 6956 OH2 TIP3W5128 44.013 48.707 -14.788 1.00 0.00 WT1 O ATOM 6957 H1 TIP3W5128 43.174 48.251 -14.988 1.00 0.00 WT1 H ATOM 6958 H2 TIP3W5128 44.670 48.214 -15.333 1.00 0.00 WT1 H ATOM 6959 OH2 TIP3W5130 48.374 46.873 -14.966 1.00 0.00 WT1 O ATOM 6960 H1 TIP3W5130 49.105 46.635 -14.375 1.00 0.00 WT1 H ATOM 6961 H2 TIP3W5130 48.729 47.745 -15.297 1.00 0.00 WT1 H ATOM 6962 OH2 TIP3W5131 39.511 47.208 -3.125 1.00 0.00 WT1 O ATOM 6963 H1 TIP3W5131 39.000 46.441 -3.045 1.00 0.00 WT1 H ATOM 6964 H2 TIP3W5131 38.893 47.911 -3.156 1.00 0.00 WT1 H ATOM 6965 OH2 TIP3W5132 35.690 48.153 -2.841 1.00 0.00 WT1 O ATOM 6966 H1 TIP3W5132 36.566 48.585 -2.735 1.00 0.00 WT1 H ATOM 6967 H2 TIP3W5132 35.387 48.350 -3.730 1.00 0.00 WT1 H ATOM 6968 OH2 TIP3W5134 47.882 27.445 -0.502 1.00 0.00 WT1 O ATOM 6969 H1 TIP3W5134 47.276 27.177 0.262 1.00 0.00 WT1 H ATOM 6970 H2 TIP3W5134 47.320 27.792 -1.202 1.00 0.00 WT1 H ATOM 6971 OH2 TIP3W5135 51.940 33.945 9.364 1.00 0.00 WT1 O ATOM 6972 H1 TIP3W5135 51.468 33.088 9.565 1.00 0.00 WT1 H ATOM 6973 H2 TIP3W5135 51.354 34.305 8.653 1.00 0.00 WT1 H ATOM 6974 OH2 TIP3W5137 41.551 45.504 8.990 1.00 0.00 WT1 O ATOM 6975 H1 TIP3W5137 42.307 46.007 8.675 1.00 0.00 WT1 H ATOM 6976 H2 TIP3W5137 41.908 44.977 9.648 1.00 0.00 WT1 H ATOM 6977 OH2 TIP3W5138 51.476 47.632 3.360 1.00 0.00 WT1 O ATOM 6978 H1 TIP3W5138 50.793 47.019 3.568 1.00 0.00 WT1 H ATOM 6979 H2 TIP3W5138 51.882 47.832 4.196 1.00 0.00 WT1 H ATOM 6980 OH2 TIP3W5140 41.196 40.821 21.397 1.00 0.00 WT1 O ATOM 6981 H1 TIP3W5140 40.311 40.630 21.779 1.00 0.00 WT1 H ATOM 6982 H2 TIP3W5140 41.561 41.459 22.004 1.00 0.00 WT1 H ATOM 6983 OH2 TIP3W5146 35.222 43.365 -18.772 1.00 0.00 WT1 O ATOM 6984 H1 TIP3W5146 35.348 43.495 -19.683 1.00 0.00 WT1 H ATOM 6985 H2 TIP3W5146 35.622 44.151 -18.422 1.00 0.00 WT1 H ATOM 6986 OH2 TIP3W5149 37.486 46.232 -14.063 1.00 0.00 WT1 O ATOM 6987 H1 TIP3W5149 37.607 45.329 -14.458 1.00 0.00 WT1 H ATOM 6988 H2 TIP3W5149 37.361 46.055 -13.102 1.00 0.00 WT1 H ATOM 6989 OH2 TIP3W5151 50.348 35.015 -1.152 1.00 0.00 WT1 O ATOM 6990 H1 TIP3W5151 49.572 35.017 -1.758 1.00 0.00 WT1 H ATOM 6991 H2 TIP3W5151 49.986 35.451 -0.410 1.00 0.00 WT1 H ATOM 6992 OH2 TIP3W5152 35.451 47.265 -7.656 1.00 0.00 WT1 O ATOM 6993 H1 TIP3W5152 35.026 46.496 -7.188 1.00 0.00 WT1 H ATOM 6994 H2 TIP3W5152 36.107 47.582 -7.026 1.00 0.00 WT1 H ATOM 6995 OH2 TIP3W5153 37.642 42.930 4.246 1.00 0.00 WT1 O ATOM 6996 H1 TIP3W5153 36.749 42.548 4.265 1.00 0.00 WT1 H ATOM 6997 H2 TIP3W5153 37.419 43.846 3.858 1.00 0.00 WT1 H ATOM 6998 OH2 TIP3W5154 44.647 44.135 1.834 1.00 0.00 WT1 O ATOM 6999 H1 TIP3W5154 44.943 44.983 1.508 1.00 0.00 WT1 H ATOM 7000 H2 TIP3W5154 45.448 43.591 1.845 1.00 0.00 WT1 H ATOM 7001 OH2 TIP3W5155 52.316 39.610 0.084 1.00 0.00 WT1 O ATOM 7002 H1 TIP3W5155 51.727 39.998 0.742 1.00 0.00 WT1 H ATOM 7003 H2 TIP3W5155 52.539 38.684 0.444 1.00 0.00 WT1 H ATOM 7004 OH2 TIP3W5157 44.729 40.316 12.710 1.00 0.00 WT1 O ATOM 7005 H1 TIP3W5157 44.075 41.010 12.814 1.00 0.00 WT1 H ATOM 7006 H2 TIP3W5157 44.980 40.463 11.773 1.00 0.00 WT1 H ATOM 7007 OH2 TIP3W5158 37.903 36.334 18.550 1.00 0.00 WT1 O ATOM 7008 H1 TIP3W5158 38.356 36.236 19.375 1.00 0.00 WT1 H ATOM 7009 H2 TIP3W5158 37.821 37.254 18.449 1.00 0.00 WT1 H ATOM 7010 OH2 TIP3W5161 43.809 42.772 15.328 1.00 0.00 WT1 O ATOM 7011 H1 TIP3W5161 44.219 43.076 14.590 1.00 0.00 WT1 H ATOM 7012 H2 TIP3W5161 44.565 42.360 15.719 1.00 0.00 WT1 H ATOM 7013 OH2 TIP3W5162 44.163 35.208 -16.775 1.00 0.00 WT1 O ATOM 7014 H1 TIP3W5162 44.966 34.683 -16.539 1.00 0.00 WT1 H ATOM 7015 H2 TIP3W5162 43.505 34.672 -16.292 1.00 0.00 WT1 H ATOM 7016 OH2 TIP3W5165 37.247 37.789 -11.422 1.00 0.00 WT1 O ATOM 7017 H1 TIP3W5165 37.213 36.813 -11.525 1.00 0.00 WT1 H ATOM 7018 H2 TIP3W5165 37.917 37.950 -10.737 1.00 0.00 WT1 H ATOM 7019 OH2 TIP3W5166 51.572 30.324 -11.824 1.00 0.00 WT1 O ATOM 7020 H1 TIP3W5166 51.961 30.132 -10.973 1.00 0.00 WT1 H ATOM 7021 H2 TIP3W5166 51.538 29.508 -12.210 1.00 0.00 WT1 H ATOM 7022 OH2 TIP3W5172 46.290 49.452 -4.578 1.00 0.00 WT1 O ATOM 7023 H1 TIP3W5172 45.577 49.792 -4.027 1.00 0.00 WT1 H ATOM 7024 H2 TIP3W5172 46.217 49.960 -5.375 1.00 0.00 WT1 H ATOM 7025 OH2 TIP3W5176 30.883 41.042 5.873 1.00 0.00 WT1 O ATOM 7026 H1 TIP3W5176 30.411 40.236 6.254 1.00 0.00 WT1 H ATOM 7027 H2 TIP3W5176 30.264 41.800 5.838 1.00 0.00 WT1 H ATOM 7028 OH2 TIP3W5177 38.652 48.135 7.344 1.00 0.00 WT1 O ATOM 7029 H1 TIP3W5177 37.856 48.727 7.248 1.00 0.00 WT1 H ATOM 7030 H2 TIP3W5177 38.449 47.390 6.764 1.00 0.00 WT1 H ATOM 7031 OH2 TIP3W5182 36.461 45.145 21.339 1.00 0.00 WT1 O ATOM 7032 H1 TIP3W5182 36.267 46.065 21.109 1.00 0.00 WT1 H ATOM 7033 H2 TIP3W5182 37.349 45.202 21.690 1.00 0.00 WT1 H ATOM 7034 OH2 TIP3W5186 44.545 49.769 -11.922 1.00 0.00 WT1 O ATOM 7035 H1 TIP3W5186 44.732 49.344 -12.814 1.00 0.00 WT1 H ATOM 7036 H2 TIP3W5186 43.555 49.722 -11.841 1.00 0.00 WT1 H ATOM 7037 OH2 TIP3W5190 23.339 44.681 -14.723 1.00 0.00 WT1 O ATOM 7038 H1 TIP3W5190 24.161 44.200 -14.950 1.00 0.00 WT1 H ATOM 7039 H2 TIP3W5190 23.658 45.228 -14.018 1.00 0.00 WT1 H ATOM 7040 OH2 TIP3W5191 27.016 50.314 -7.322 1.00 0.00 WT1 O ATOM 7041 H1 TIP3W5191 27.339 49.425 -7.636 1.00 0.00 WT1 H ATOM 7042 H2 TIP3W5191 27.858 50.719 -6.973 1.00 0.00 WT1 H ATOM 7043 OH2 TIP3W5216 47.711 49.487 -2.143 1.00 0.00 WT1 O ATOM 7044 H1 TIP3W5216 47.456 49.522 -3.075 1.00 0.00 WT1 H ATOM 7045 H2 TIP3W5216 47.224 50.271 -1.807 1.00 0.00 WT1 H ATOM 7046 OH2 TIP3W5218 38.029 42.075 14.923 1.00 0.00 WT1 O ATOM 7047 H1 TIP3W5218 37.473 42.901 14.694 1.00 0.00 WT1 H ATOM 7048 H2 TIP3W5218 38.480 42.246 15.783 1.00 0.00 WT1 H ATOM 7049 OH2 TIP3W5221 37.750 46.569 18.311 1.00 0.00 WT1 O ATOM 7050 H1 TIP3W5221 37.839 46.006 19.105 1.00 0.00 WT1 H ATOM 7051 H2 TIP3W5221 38.624 46.355 17.906 1.00 0.00 WT1 H ATOM 7052 OH2 TIP3W5234 31.380 1.555 -7.082 1.00 0.00 WT1 O ATOM 7053 H1 TIP3W5234 31.354 2.145 -7.874 1.00 0.00 WT1 H ATOM 7054 H2 TIP3W5234 31.612 0.641 -7.396 1.00 0.00 WT1 H ATOM 7055 OH2 TIP3W5237 35.328 50.835 1.985 1.00 0.00 WT1 O ATOM 7056 H1 TIP3W5237 35.471 50.808 1.040 1.00 0.00 WT1 H ATOM 7057 H2 TIP3W5237 34.541 50.282 2.065 1.00 0.00 WT1 H ATOM 7058 OH2 TIP3W5242 35.415 45.395 17.917 1.00 0.00 WT1 O ATOM 7059 H1 TIP3W5242 35.937 44.597 17.983 1.00 0.00 WT1 H ATOM 7060 H2 TIP3W5242 36.062 46.079 17.834 1.00 0.00 WT1 H ATOM 7061 OH2 TIP3W5251 33.558 13.656 -19.665 1.00 0.00 WT1 O ATOM 7062 H1 TIP3W5251 33.140 12.889 -19.260 1.00 0.00 WT1 H ATOM 7063 H2 TIP3W5251 33.403 14.403 -19.020 1.00 0.00 WT1 H ATOM 7064 OH2 TIP3W5253 25.881 46.902 -18.820 1.00 0.00 WT1 O ATOM 7065 H1 TIP3W5253 25.569 46.946 -17.888 1.00 0.00 WT1 H ATOM 7066 H2 TIP3W5253 26.704 47.417 -18.817 1.00 0.00 WT1 H ATOM 7067 OH2 TIP3W5257 29.351 50.579 9.922 1.00 0.00 WT1 O ATOM 7068 H1 TIP3W5257 28.384 50.844 9.789 1.00 0.00 WT1 H ATOM 7069 H2 TIP3W5257 29.573 50.833 10.786 1.00 0.00 WT1 H ATOM 7070 OH2 TIP3W5259 45.751 6.583 -16.399 1.00 0.00 WT1 O ATOM 7071 H1 TIP3W5259 45.664 7.221 -17.139 1.00 0.00 WT1 H ATOM 7072 H2 TIP3W5259 45.590 5.698 -16.801 1.00 0.00 WT1 H ATOM 7073 OH2 TIP3W5260 40.092 -0.196 -2.070 1.00 0.00 WT1 O ATOM 7074 H1 TIP3W5260 40.605 0.602 -1.778 1.00 0.00 WT1 H ATOM 7075 H2 TIP3W5260 39.286 0.128 -2.595 1.00 0.00 WT1 H ATOM 7076 OH2 TIP3W5263 44.631 47.727 12.448 1.00 0.00 WT1 O ATOM 7077 H1 TIP3W5263 43.697 48.043 12.283 1.00 0.00 WT1 H ATOM 7078 H2 TIP3W5263 44.921 47.540 11.534 1.00 0.00 WT1 H ATOM 7079 OH2 TIP3W5267 29.902 4.170 16.604 1.00 0.00 WT1 O ATOM 7080 H1 TIP3W5267 30.864 4.182 16.828 1.00 0.00 WT1 H ATOM 7081 H2 TIP3W5267 29.921 3.656 15.739 1.00 0.00 WT1 H ATOM 7082 OH2 TIP3W5271 50.837 6.653 -9.825 1.00 0.00 WT1 O ATOM 7083 H1 TIP3W5271 50.561 5.708 -9.996 1.00 0.00 WT1 H ATOM 7084 H2 TIP3W5271 50.040 7.173 -10.072 1.00 0.00 WT1 H ATOM 7085 OH2 TIP3W5272 40.822 5.932 -16.436 1.00 0.00 WT1 O ATOM 7086 H1 TIP3W5272 41.466 5.794 -17.206 1.00 0.00 WT1 H ATOM 7087 H2 TIP3W5272 40.974 5.216 -15.831 1.00 0.00 WT1 H ATOM 7088 OH2 TIP3W5298 48.666 7.836 3.205 1.00 0.00 WT1 O ATOM 7089 H1 TIP3W5298 48.122 7.449 2.511 1.00 0.00 WT1 H ATOM 7090 H2 TIP3W5298 49.550 7.820 2.782 1.00 0.00 WT1 H ATOM 7091 OH2 TIP3W5304 51.430 5.064 0.048 1.00 0.00 WT1 O ATOM 7092 H1 TIP3W5304 50.844 5.770 -0.201 1.00 0.00 WT1 H ATOM 7093 H2 TIP3W5304 51.893 4.960 -0.749 1.00 0.00 WT1 H ATOM 7094 OH2 TIP3W5306 51.844 1.823 15.197 1.00 0.00 WT1 O ATOM 7095 H1 TIP3W5306 52.516 2.471 14.824 1.00 0.00 WT1 H ATOM 7096 H2 TIP3W5306 52.281 0.969 14.883 1.00 0.00 WT1 H ATOM 7097 OH2 TIP3W5317 38.609 5.641 -19.836 1.00 0.00 WT1 O ATOM 7098 H1 TIP3W5317 38.084 5.091 -19.309 1.00 0.00 WT1 H ATOM 7099 H2 TIP3W5317 38.108 6.425 -20.078 1.00 0.00 WT1 H ATOM 7100 OH2 TIP3W5318 40.984 8.501 -3.558 1.00 0.00 WT1 O ATOM 7101 H1 TIP3W5318 40.448 7.666 -3.600 1.00 0.00 WT1 H ATOM 7102 H2 TIP3W5318 40.664 9.073 -4.312 1.00 0.00 WT1 H ATOM 7103 OH2 TIP3W5319 37.813 -0.265 -17.471 1.00 0.00 WT1 O ATOM 7104 H1 TIP3W5319 37.000 -0.715 -17.745 1.00 0.00 WT1 H ATOM 7105 H2 TIP3W5319 38.315 -0.449 -18.281 1.00 0.00 WT1 H ATOM 7106 OH2 TIP3W5320 21.585 8.580 -3.097 1.00 0.00 WT1 O ATOM 7107 H1 TIP3W5320 22.204 8.154 -3.700 1.00 0.00 WT1 H ATOM 7108 H2 TIP3W5320 20.802 8.042 -3.134 1.00 0.00 WT1 H ATOM 7109 OH2 TIP3W5325 47.571 4.192 14.052 1.00 0.00 WT1 O ATOM 7110 H1 TIP3W5325 47.738 5.019 14.516 1.00 0.00 WT1 H ATOM 7111 H2 TIP3W5325 48.491 3.881 13.909 1.00 0.00 WT1 H ATOM 7112 OH2 TIP3W5327 46.945 -0.663 15.338 1.00 0.00 WT1 O ATOM 7113 H1 TIP3W5327 47.706 -0.448 15.880 1.00 0.00 WT1 H ATOM 7114 H2 TIP3W5327 47.344 -1.251 14.621 1.00 0.00 WT1 H ATOM 7115 OH2 TIP3W5342 21.661 50.440 4.161 1.00 0.00 WT1 O ATOM 7116 H1 TIP3W5342 20.772 50.385 3.722 1.00 0.00 WT1 H ATOM 7117 H2 TIP3W5342 22.205 49.900 3.536 1.00 0.00 WT1 H ATOM 7118 OH2 TIP3W5344 43.114 0.986 20.089 1.00 0.00 WT1 O ATOM 7119 H1 TIP3W5344 42.814 0.092 19.677 1.00 0.00 WT1 H ATOM 7120 H2 TIP3W5344 42.891 1.661 19.415 1.00 0.00 WT1 H ATOM 7121 OH2 TIP3W5348 38.027 8.761 21.654 1.00 0.00 WT1 O ATOM 7122 H1 TIP3W5348 38.606 8.111 22.173 1.00 0.00 WT1 H ATOM 7123 H2 TIP3W5348 38.377 8.625 20.744 1.00 0.00 WT1 H ATOM 7124 OH2 TIP3W5349 38.577 -0.649 21.093 1.00 0.00 WT1 O ATOM 7125 H1 TIP3W5349 39.465 -0.871 21.136 1.00 0.00 WT1 H ATOM 7126 H2 TIP3W5349 38.574 0.247 20.719 1.00 0.00 WT1 H ATOM 7127 OH2 TIP3W5355 31.437 -1.021 -19.178 1.00 0.00 WT1 O ATOM 7128 H1 TIP3W5355 30.544 -1.198 -19.352 1.00 0.00 WT1 H ATOM 7129 H2 TIP3W5355 31.641 -0.188 -19.613 1.00 0.00 WT1 H ATOM 7130 OH2 TIP3W5356 25.458 1.358 -17.058 1.00 0.00 WT1 O ATOM 7131 H1 TIP3W5356 25.541 2.084 -16.513 1.00 0.00 WT1 H ATOM 7132 H2 TIP3W5356 26.345 1.315 -17.496 1.00 0.00 WT1 H ATOM 7133 OH2 TIP3W5357 51.154 25.733 -18.476 1.00 0.00 WT1 O ATOM 7134 H1 TIP3W5357 50.548 25.878 -19.235 1.00 0.00 WT1 H ATOM 7135 H2 TIP3W5357 50.552 25.913 -17.741 1.00 0.00 WT1 H ATOM 7136 OH2 TIP3W5358 35.684 18.953 -16.191 1.00 0.00 WT1 O ATOM 7137 H1 TIP3W5358 34.916 19.464 -16.058 1.00 0.00 WT1 H ATOM 7138 H2 TIP3W5358 35.328 18.266 -16.839 1.00 0.00 WT1 H ATOM 7139 OH2 TIP3W5360 38.606 7.034 -11.582 1.00 0.00 WT1 O ATOM 7140 H1 TIP3W5360 37.870 6.645 -12.140 1.00 0.00 WT1 H ATOM 7141 H2 TIP3W5360 38.576 6.479 -10.760 1.00 0.00 WT1 H ATOM 7142 OH2 TIP3W5366 29.057 1.444 2.065 1.00 0.00 WT1 O ATOM 7143 H1 TIP3W5366 29.781 2.058 1.802 1.00 0.00 WT1 H ATOM 7144 H2 TIP3W5366 29.530 0.647 2.419 1.00 0.00 WT1 H ATOM 7145 OH2 TIP3W5368 32.884 7.205 20.052 1.00 0.00 WT1 O ATOM 7146 H1 TIP3W5368 32.652 7.410 19.130 1.00 0.00 WT1 H ATOM 7147 H2 TIP3W5368 32.275 7.741 20.572 1.00 0.00 WT1 H ATOM 7148 OH2 TIP3W5370 38.912 18.867 16.054 1.00 0.00 WT1 O ATOM 7149 H1 TIP3W5370 38.350 18.301 15.496 1.00 0.00 WT1 H ATOM 7150 H2 TIP3W5370 39.529 18.176 16.475 1.00 0.00 WT1 H ATOM 7151 OH2 TIP3W5371 35.869 15.408 19.816 1.00 0.00 WT1 O ATOM 7152 H1 TIP3W5371 36.005 15.971 20.563 1.00 0.00 WT1 H ATOM 7153 H2 TIP3W5371 35.676 14.547 20.240 1.00 0.00 WT1 H ATOM 7154 OH2 TIP3W5375 47.144 13.432 -19.587 1.00 0.00 WT1 O ATOM 7155 H1 TIP3W5375 46.549 13.536 -18.800 1.00 0.00 WT1 H ATOM 7156 H2 TIP3W5375 47.430 12.530 -19.440 1.00 0.00 WT1 H ATOM 7157 OH2 TIP3W5377 48.245 7.455 -10.955 1.00 0.00 WT1 O ATOM 7158 H1 TIP3W5377 47.686 8.233 -11.203 1.00 0.00 WT1 H ATOM 7159 H2 TIP3W5377 48.544 7.087 -11.743 1.00 0.00 WT1 H ATOM 7160 OH2 TIP3W5378 33.547 10.909 -11.093 1.00 0.00 WT1 O ATOM 7161 H1 TIP3W5378 33.741 11.843 -11.116 1.00 0.00 WT1 H ATOM 7162 H2 TIP3W5378 34.413 10.518 -10.913 1.00 0.00 WT1 H ATOM 7163 OH2 TIP3W5380 43.353 19.050 -17.700 1.00 0.00 WT1 O ATOM 7164 H1 TIP3W5380 43.657 18.142 -17.637 1.00 0.00 WT1 H ATOM 7165 H2 TIP3W5380 44.073 19.438 -18.133 1.00 0.00 WT1 H ATOM 7166 OH2 TIP3W5381 37.014 29.143 -20.602 1.00 0.00 WT1 O ATOM 7167 H1 TIP3W5381 36.451 28.944 -21.382 1.00 0.00 WT1 H ATOM 7168 H2 TIP3W5381 36.604 30.033 -20.289 1.00 0.00 WT1 H ATOM 7169 OH2 TIP3W5382 44.424 5.951 -4.979 1.00 0.00 WT1 O ATOM 7170 H1 TIP3W5382 43.509 5.860 -4.579 1.00 0.00 WT1 H ATOM 7171 H2 TIP3W5382 44.863 5.070 -4.848 1.00 0.00 WT1 H ATOM 7172 OH2 TIP3W5383 48.322 17.311 -12.269 1.00 0.00 WT1 O ATOM 7173 H1 TIP3W5383 48.075 18.261 -12.383 1.00 0.00 WT1 H ATOM 7174 H2 TIP3W5383 47.861 16.848 -12.993 1.00 0.00 WT1 H ATOM 7175 OH2 TIP3W5384 39.885 6.899 -5.854 1.00 0.00 WT1 O ATOM 7176 H1 TIP3W5384 39.298 6.420 -6.424 1.00 0.00 WT1 H ATOM 7177 H2 TIP3W5384 39.646 7.808 -5.930 1.00 0.00 WT1 H ATOM 7178 OH2 TIP3W5389 45.939 20.651 19.252 1.00 0.00 WT1 O ATOM 7179 H1 TIP3W5389 46.554 20.507 20.015 1.00 0.00 WT1 H ATOM 7180 H2 TIP3W5389 46.342 21.338 18.685 1.00 0.00 WT1 H ATOM 7181 OH2 TIP3W5392 32.684 14.475 21.535 1.00 0.00 WT1 O ATOM 7182 H1 TIP3W5392 33.014 14.216 20.689 1.00 0.00 WT1 H ATOM 7183 H2 TIP3W5392 31.769 14.417 21.273 1.00 0.00 WT1 H ATOM 7184 OH2 TIP3W5396 37.495 9.445 -16.299 1.00 0.00 WT1 O ATOM 7185 H1 TIP3W5396 36.878 9.995 -15.758 1.00 0.00 WT1 H ATOM 7186 H2 TIP3W5396 36.848 9.159 -17.021 1.00 0.00 WT1 H ATOM 7187 OH2 TIP3W5399 50.781 27.310 -0.773 1.00 0.00 WT1 O ATOM 7188 H1 TIP3W5399 51.396 26.588 -0.484 1.00 0.00 WT1 H ATOM 7189 H2 TIP3W5399 50.050 27.087 -0.292 1.00 0.00 WT1 H ATOM 7190 OH2 TIP3W5404 31.000 11.717 -11.917 1.00 0.00 WT1 O ATOM 7191 H1 TIP3W5404 31.793 11.148 -11.666 1.00 0.00 WT1 H ATOM 7192 H2 TIP3W5404 30.756 12.101 -10.975 1.00 0.00 WT1 H ATOM 7193 OH2 TIP3W5406 35.699 1.717 12.820 1.00 0.00 WT1 O ATOM 7194 H1 TIP3W5406 35.999 2.073 13.712 1.00 0.00 WT1 H ATOM 7195 H2 TIP3W5406 35.896 2.445 12.172 1.00 0.00 WT1 H ATOM 7196 OH2 TIP3W5408 43.013 24.157 8.869 1.00 0.00 WT1 O ATOM 7197 H1 TIP3W5408 43.153 24.932 9.542 1.00 0.00 WT1 H ATOM 7198 H2 TIP3W5408 43.408 23.339 9.276 1.00 0.00 WT1 H ATOM 7199 OH2 TIP3W5410 38.402 7.663 15.386 1.00 0.00 WT1 O ATOM 7200 H1 TIP3W5410 37.939 7.787 14.589 1.00 0.00 WT1 H ATOM 7201 H2 TIP3W5410 39.216 8.162 15.275 1.00 0.00 WT1 H ATOM 7202 OH2 TIP3W5411 35.749 -1.294 19.902 1.00 0.00 WT1 O ATOM 7203 H1 TIP3W5411 35.803 -0.416 19.458 1.00 0.00 WT1 H ATOM 7204 H2 TIP3W5411 36.117 -1.118 20.808 1.00 0.00 WT1 H ATOM 7205 OH2 TIP3W5412 45.892 1.192 18.231 1.00 0.00 WT1 O ATOM 7206 H1 TIP3W5412 46.234 1.447 17.339 1.00 0.00 WT1 H ATOM 7207 H2 TIP3W5412 46.602 0.605 18.547 1.00 0.00 WT1 H ATOM 7208 OH2 TIP3W5418 31.288 23.318 -17.023 1.00 0.00 WT1 O ATOM 7209 H1 TIP3W5418 32.062 23.902 -16.811 1.00 0.00 WT1 H ATOM 7210 H2 TIP3W5418 30.908 23.761 -17.749 1.00 0.00 WT1 H ATOM 7211 OH2 TIP3W5419 48.860 23.442 -15.099 1.00 0.00 WT1 O ATOM 7212 H1 TIP3W5419 47.882 23.249 -15.190 1.00 0.00 WT1 H ATOM 7213 H2 TIP3W5419 48.963 24.292 -15.533 1.00 0.00 WT1 H ATOM 7214 OH2 TIP3W5421 5.102 26.821 -4.771 1.00 0.00 WT1 O ATOM 7215 H1 TIP3W5421 5.277 27.381 -5.602 1.00 0.00 WT1 H ATOM 7216 H2 TIP3W5421 4.632 26.104 -5.133 1.00 0.00 WT1 H ATOM 7217 OH2 TIP3W5426 44.610 15.107 -13.968 1.00 0.00 WT1 O ATOM 7218 H1 TIP3W5426 45.612 15.113 -14.130 1.00 0.00 WT1 H ATOM 7219 H2 TIP3W5426 44.254 14.250 -14.197 1.00 0.00 WT1 H ATOM 7220 OH2 TIP3W5427 46.497 19.862 4.725 1.00 0.00 WT1 O ATOM 7221 H1 TIP3W5427 46.517 18.889 4.843 1.00 0.00 WT1 H ATOM 7222 H2 TIP3W5427 45.947 20.132 5.439 1.00 0.00 WT1 H ATOM 7223 OH2 TIP3W5428 43.796 11.926 16.227 1.00 0.00 WT1 O ATOM 7224 H1 TIP3W5428 44.146 12.801 16.421 1.00 0.00 WT1 H ATOM 7225 H2 TIP3W5428 44.619 11.493 16.159 1.00 0.00 WT1 H ATOM 7226 OH2 TIP3W5429 38.772 14.543 12.657 1.00 0.00 WT1 O ATOM 7227 H1 TIP3W5429 39.458 15.169 12.740 1.00 0.00 WT1 H ATOM 7228 H2 TIP3W5429 38.790 14.175 13.530 1.00 0.00 WT1 H ATOM 7229 OH2 TIP3W5431 47.317 6.548 1.285 1.00 0.00 WT1 O ATOM 7230 H1 TIP3W5431 46.439 6.035 1.396 1.00 0.00 WT1 H ATOM 7231 H2 TIP3W5431 47.726 6.049 0.562 1.00 0.00 WT1 H ATOM 7232 OH2 TIP3W5434 44.982 17.347 -20.875 1.00 0.00 WT1 O ATOM 7233 H1 TIP3W5434 44.614 17.366 -21.738 1.00 0.00 WT1 H ATOM 7234 H2 TIP3W5434 44.979 18.245 -20.535 1.00 0.00 WT1 H ATOM 7235 OH2 TIP3W5440 38.795 17.924 -13.956 1.00 0.00 WT1 O ATOM 7236 H1 TIP3W5440 39.645 17.439 -13.754 1.00 0.00 WT1 H ATOM 7237 H2 TIP3W5440 39.123 18.745 -14.378 1.00 0.00 WT1 H ATOM 7238 OH2 TIP3W5443 36.919 9.312 -5.418 1.00 0.00 WT1 O ATOM 7239 H1 TIP3W5443 36.101 9.759 -5.619 1.00 0.00 WT1 H ATOM 7240 H2 TIP3W5443 36.547 8.634 -4.775 1.00 0.00 WT1 H ATOM 7241 OH2 TIP3W5446 43.872 13.591 -8.728 1.00 0.00 WT1 O ATOM 7242 H1 TIP3W5446 43.735 14.030 -7.869 1.00 0.00 WT1 H ATOM 7243 H2 TIP3W5446 44.781 13.882 -8.935 1.00 0.00 WT1 H ATOM 7244 OH2 TIP3W5451 45.962 19.991 15.488 1.00 0.00 WT1 O ATOM 7245 H1 TIP3W5451 45.617 19.199 15.973 1.00 0.00 WT1 H ATOM 7246 H2 TIP3W5451 45.133 20.585 15.529 1.00 0.00 WT1 H ATOM 7247 OH2 TIP3W5452 48.308 21.520 15.014 1.00 0.00 WT1 O ATOM 7248 H1 TIP3W5452 47.641 20.905 15.055 1.00 0.00 WT1 H ATOM 7249 H2 TIP3W5452 49.029 20.946 14.704 1.00 0.00 WT1 H ATOM 7250 OH2 TIP3W5454 39.122 9.997 11.705 1.00 0.00 WT1 O ATOM 7251 H1 TIP3W5454 39.862 10.477 11.357 1.00 0.00 WT1 H ATOM 7252 H2 TIP3W5454 39.261 10.105 12.661 1.00 0.00 WT1 H ATOM 7253 OH2 TIP3W5456 36.538 29.197 11.808 1.00 0.00 WT1 O ATOM 7254 H1 TIP3W5456 36.982 29.992 12.105 1.00 0.00 WT1 H ATOM 7255 H2 TIP3W5456 36.974 28.453 12.230 1.00 0.00 WT1 H ATOM 7256 OH2 TIP3W5460 50.115 18.049 -17.259 1.00 0.00 WT1 O ATOM 7257 H1 TIP3W5460 49.891 17.122 -17.432 1.00 0.00 WT1 H ATOM 7258 H2 TIP3W5460 49.375 18.501 -17.717 1.00 0.00 WT1 H ATOM 7259 OH2 TIP3W5461 47.248 16.030 -14.754 1.00 0.00 WT1 O ATOM 7260 H1 TIP3W5461 47.753 15.396 -15.241 1.00 0.00 WT1 H ATOM 7261 H2 TIP3W5461 47.242 16.714 -15.382 1.00 0.00 WT1 H ATOM 7262 OH2 TIP3W5465 47.154 27.814 5.119 1.00 0.00 WT1 O ATOM 7263 H1 TIP3W5465 47.494 26.986 4.879 1.00 0.00 WT1 H ATOM 7264 H2 TIP3W5465 47.204 28.287 4.242 1.00 0.00 WT1 H ATOM 7265 OH2 TIP3W5466 37.035 15.518 -13.811 1.00 0.00 WT1 O ATOM 7266 H1 TIP3W5466 37.754 14.872 -13.840 1.00 0.00 WT1 H ATOM 7267 H2 TIP3W5466 37.522 16.378 -13.928 1.00 0.00 WT1 H ATOM 7268 OH2 TIP3W5467 49.947 32.027 9.511 1.00 0.00 WT1 O ATOM 7269 H1 TIP3W5467 49.685 31.948 10.463 1.00 0.00 WT1 H ATOM 7270 H2 TIP3W5467 49.031 32.075 9.077 1.00 0.00 WT1 H ATOM 7271 OH2 TIP3W5487 44.649 11.067 -7.423 1.00 0.00 WT1 O ATOM 7272 H1 TIP3W5487 44.565 11.929 -7.855 1.00 0.00 WT1 H ATOM 7273 H2 TIP3W5487 43.747 10.732 -7.522 1.00 0.00 WT1 H ATOM 7274 OH2 TIP3W5488 48.447 37.282 -5.835 1.00 0.00 WT1 O ATOM 7275 H1 TIP3W5488 48.893 37.398 -6.689 1.00 0.00 WT1 H ATOM 7276 H2 TIP3W5488 48.611 38.161 -5.371 1.00 0.00 WT1 H ATOM 7277 OH2 TIP3W5491 51.184 21.583 7.879 1.00 0.00 WT1 O ATOM 7278 H1 TIP3W5491 51.440 21.995 7.067 1.00 0.00 WT1 H ATOM 7279 H2 TIP3W5491 50.314 21.231 7.677 1.00 0.00 WT1 H ATOM 7280 OH2 TIP3W5492 48.914 16.752 8.175 1.00 0.00 WT1 O ATOM 7281 H1 TIP3W5492 49.850 16.448 8.333 1.00 0.00 WT1 H ATOM 7282 H2 TIP3W5492 48.404 15.952 8.267 1.00 0.00 WT1 H ATOM 7283 OH2 TIP3W5493 40.487 22.906 22.233 1.00 0.00 WT1 O ATOM 7284 H1 TIP3W5493 39.686 22.832 21.695 1.00 0.00 WT1 H ATOM 7285 H2 TIP3W5493 40.581 21.959 22.443 1.00 0.00 WT1 H ATOM 7286 OH2 TIP3W5497 44.693 25.779 3.401 1.00 0.00 WT1 O ATOM 7287 H1 TIP3W5497 45.325 25.121 3.143 1.00 0.00 WT1 H ATOM 7288 H2 TIP3W5497 44.680 26.350 2.638 1.00 0.00 WT1 H ATOM 7289 OH2 TIP3W5501 43.106 32.383 21.345 1.00 0.00 WT1 O ATOM 7290 H1 TIP3W5501 42.224 32.446 21.638 1.00 0.00 WT1 H ATOM 7291 H2 TIP3W5501 43.337 31.450 21.594 1.00 0.00 WT1 H ATOM 7292 OH2 TIP3W5504 46.702 22.649 -3.581 1.00 0.00 WT1 O ATOM 7293 H1 TIP3W5504 46.650 23.606 -3.501 1.00 0.00 WT1 H ATOM 7294 H2 TIP3W5504 47.200 22.490 -4.425 1.00 0.00 WT1 H ATOM 7295 OH2 TIP3W5506 49.342 38.317 0.042 1.00 0.00 WT1 O ATOM 7296 H1 TIP3W5506 48.589 38.537 0.545 1.00 0.00 WT1 H ATOM 7297 H2 TIP3W5506 49.703 37.533 0.525 1.00 0.00 WT1 H ATOM 7298 OH2 TIP3W5507 45.840 40.936 -10.756 1.00 0.00 WT1 O ATOM 7299 H1 TIP3W5507 45.412 41.667 -10.182 1.00 0.00 WT1 H ATOM 7300 H2 TIP3W5507 45.071 40.548 -11.167 1.00 0.00 WT1 H ATOM 7301 OH2 TIP3W5508 36.796 35.105 11.478 1.00 0.00 WT1 O ATOM 7302 H1 TIP3W5508 37.519 34.899 12.077 1.00 0.00 WT1 H ATOM 7303 H2 TIP3W5508 37.079 34.753 10.631 1.00 0.00 WT1 H ATOM 7304 OH2 TIP3W5509 36.857 45.283 3.048 1.00 0.00 WT1 O ATOM 7305 H1 TIP3W5509 37.418 45.643 2.325 1.00 0.00 WT1 H ATOM 7306 H2 TIP3W5509 36.102 45.927 3.135 1.00 0.00 WT1 H ATOM 7307 OH2 TIP3W5510 44.548 43.079 -9.431 1.00 0.00 WT1 O ATOM 7308 H1 TIP3W5510 44.335 43.432 -10.366 1.00 0.00 WT1 H ATOM 7309 H2 TIP3W5510 45.102 43.816 -9.047 1.00 0.00 WT1 H ATOM 7310 OH2 TIP3W5511 38.679 11.221 17.070 1.00 0.00 WT1 O ATOM 7311 H1 TIP3W5511 37.735 11.017 16.954 1.00 0.00 WT1 H ATOM 7312 H2 TIP3W5511 38.753 11.123 18.020 1.00 0.00 WT1 H ATOM 7313 OH2 TIP3W5513 50.378 26.487 15.537 1.00 0.00 WT1 O ATOM 7314 H1 TIP3W5513 49.819 27.049 14.980 1.00 0.00 WT1 H ATOM 7315 H2 TIP3W5513 50.190 25.567 15.273 1.00 0.00 WT1 H ATOM 7316 OH2 TIP3W5520 46.778 28.507 19.458 1.00 0.00 WT1 O ATOM 7317 H1 TIP3W5520 46.178 28.722 18.756 1.00 0.00 WT1 H ATOM 7318 H2 TIP3W5520 46.163 28.263 20.194 1.00 0.00 WT1 H ATOM 7319 OH2 TIP3W5522 43.346 33.184 -19.793 1.00 0.00 WT1 O ATOM 7320 H1 TIP3W5522 44.039 32.498 -19.811 1.00 0.00 WT1 H ATOM 7321 H2 TIP3W5522 43.784 33.967 -19.420 1.00 0.00 WT1 H ATOM 7322 OH2 TIP3W5527 49.670 39.532 -16.687 1.00 0.00 WT1 O ATOM 7323 H1 TIP3W5527 49.113 39.757 -15.899 1.00 0.00 WT1 H ATOM 7324 H2 TIP3W5527 50.238 40.336 -16.715 1.00 0.00 WT1 H ATOM 7325 OH2 TIP3W5532 47.182 41.531 6.286 1.00 0.00 WT1 O ATOM 7326 H1 TIP3W5532 46.844 40.699 6.598 1.00 0.00 WT1 H ATOM 7327 H2 TIP3W5532 46.697 41.745 5.438 1.00 0.00 WT1 H ATOM 7328 OH2 TIP3W5535 47.673 33.844 2.120 1.00 0.00 WT1 O ATOM 7329 H1 TIP3W5535 47.958 33.214 1.461 1.00 0.00 WT1 H ATOM 7330 H2 TIP3W5535 47.673 33.336 2.946 1.00 0.00 WT1 H ATOM 7331 OH2 TIP3W5545 34.145 34.168 -15.433 1.00 0.00 WT1 O ATOM 7332 H1 TIP3W5545 33.701 34.975 -15.681 1.00 0.00 WT1 H ATOM 7333 H2 TIP3W5545 33.526 33.430 -15.727 1.00 0.00 WT1 H ATOM 7334 OH2 TIP3W5547 52.179 39.904 -13.499 1.00 0.00 WT1 O ATOM 7335 H1 TIP3W5547 51.507 40.087 -14.238 1.00 0.00 WT1 H ATOM 7336 H2 TIP3W5547 51.666 39.554 -12.769 1.00 0.00 WT1 H ATOM 7337 OH2 TIP3W5550 41.591 30.251 -7.554 1.00 0.00 WT1 O ATOM 7338 H1 TIP3W5550 41.830 31.012 -8.135 1.00 0.00 WT1 H ATOM 7339 H2 TIP3W5550 42.250 29.675 -7.918 1.00 0.00 WT1 H ATOM 7340 OH2 TIP3W5552 47.663 32.924 -3.630 1.00 0.00 WT1 O ATOM 7341 H1 TIP3W5552 46.828 32.793 -3.164 1.00 0.00 WT1 H ATOM 7342 H2 TIP3W5552 48.015 32.066 -3.714 1.00 0.00 WT1 H ATOM 7343 OH2 TIP3W5553 48.610 30.016 -3.573 1.00 0.00 WT1 O ATOM 7344 H1 TIP3W5553 49.102 29.464 -4.214 1.00 0.00 WT1 H ATOM 7345 H2 TIP3W5553 49.143 29.938 -2.750 1.00 0.00 WT1 H ATOM 7346 OH2 TIP3W5554 41.953 44.841 2.500 1.00 0.00 WT1 O ATOM 7347 H1 TIP3W5554 42.871 44.766 2.144 1.00 0.00 WT1 H ATOM 7348 H2 TIP3W5554 41.389 44.386 1.838 1.00 0.00 WT1 H ATOM 7349 OH2 TIP3W5555 43.554 33.292 14.743 1.00 0.00 WT1 O ATOM 7350 H1 TIP3W5555 43.486 32.352 14.761 1.00 0.00 WT1 H ATOM 7351 H2 TIP3W5555 44.493 33.449 14.476 1.00 0.00 WT1 H ATOM 7352 OH2 TIP3W5557 43.307 35.646 16.711 1.00 0.00 WT1 O ATOM 7353 H1 TIP3W5557 43.469 35.100 15.907 1.00 0.00 WT1 H ATOM 7354 H2 TIP3W5557 42.480 35.287 17.143 1.00 0.00 WT1 H ATOM 7355 OH2 TIP3W5558 33.259 48.915 1.805 1.00 0.00 WT1 O ATOM 7356 H1 TIP3W5558 32.394 49.067 2.282 1.00 0.00 WT1 H ATOM 7357 H2 TIP3W5558 33.276 47.981 1.553 1.00 0.00 WT1 H ATOM 7358 OH2 TIP3W5559 50.381 34.928 19.723 1.00 0.00 WT1 O ATOM 7359 H1 TIP3W5559 49.836 34.280 19.275 1.00 0.00 WT1 H ATOM 7360 H2 TIP3W5559 49.808 35.278 20.351 1.00 0.00 WT1 H ATOM 7361 OH2 TIP3W5560 37.614 41.438 10.088 1.00 0.00 WT1 O ATOM 7362 H1 TIP3W5560 37.103 41.317 9.241 1.00 0.00 WT1 H ATOM 7363 H2 TIP3W5560 38.530 41.053 9.913 1.00 0.00 WT1 H ATOM 7364 OH2 TIP3W5566 36.216 33.094 -12.924 1.00 0.00 WT1 O ATOM 7365 H1 TIP3W5566 35.954 33.849 -12.430 1.00 0.00 WT1 H ATOM 7366 H2 TIP3W5566 36.809 33.546 -13.553 1.00 0.00 WT1 H ATOM 7367 OH2 TIP3W5567 41.573 46.112 -19.575 1.00 0.00 WT1 O ATOM 7368 H1 TIP3W5567 40.839 45.551 -19.935 1.00 0.00 WT1 H ATOM 7369 H2 TIP3W5567 41.146 46.954 -19.284 1.00 0.00 WT1 H ATOM 7370 OH2 TIP3W5568 36.470 42.158 -8.585 1.00 0.00 WT1 O ATOM 7371 H1 TIP3W5568 36.556 43.066 -8.235 1.00 0.00 WT1 H ATOM 7372 H2 TIP3W5568 37.349 41.810 -8.254 1.00 0.00 WT1 H ATOM 7373 OH2 TIP3W5569 40.205 49.845 -5.580 1.00 0.00 WT1 O ATOM 7374 H1 TIP3W5569 40.262 50.340 -6.428 1.00 0.00 WT1 H ATOM 7375 H2 TIP3W5569 40.218 50.585 -4.965 1.00 0.00 WT1 H ATOM 7376 OH2 TIP3W5570 41.244 35.712 1.944 1.00 0.00 WT1 O ATOM 7377 H1 TIP3W5570 40.666 36.458 1.717 1.00 0.00 WT1 H ATOM 7378 H2 TIP3W5570 40.863 35.042 1.387 1.00 0.00 WT1 H ATOM 7379 OH2 TIP3W5571 44.248 33.502 -7.433 1.00 0.00 WT1 O ATOM 7380 H1 TIP3W5571 44.497 33.520 -6.538 1.00 0.00 WT1 H ATOM 7381 H2 TIP3W5571 44.117 34.447 -7.649 1.00 0.00 WT1 H ATOM 7382 OH2 TIP3W5572 43.440 38.684 -0.005 1.00 0.00 WT1 O ATOM 7383 H1 TIP3W5572 42.663 38.276 -0.411 1.00 0.00 WT1 H ATOM 7384 H2 TIP3W5572 43.034 39.451 0.439 1.00 0.00 WT1 H ATOM 7385 OH2 TIP3W5573 51.015 49.295 0.636 1.00 0.00 WT1 O ATOM 7386 H1 TIP3W5573 50.199 49.741 0.893 1.00 0.00 WT1 H ATOM 7387 H2 TIP3W5573 51.197 48.787 1.485 1.00 0.00 WT1 H ATOM 7388 OH2 TIP3W5574 37.009 43.706 6.933 1.00 0.00 WT1 O ATOM 7389 H1 TIP3W5574 36.859 42.797 6.550 1.00 0.00 WT1 H ATOM 7390 H2 TIP3W5574 37.946 43.618 7.316 1.00 0.00 WT1 H ATOM 7391 OH2 TIP3W5591 48.272 40.252 -9.845 1.00 0.00 WT1 O ATOM 7392 H1 TIP3W5591 48.277 40.347 -8.870 1.00 0.00 WT1 H ATOM 7393 H2 TIP3W5591 47.328 40.381 -10.109 1.00 0.00 WT1 H ATOM 7394 OH2 TIP3W5593 38.072 50.670 4.863 1.00 0.00 WT1 O ATOM 7395 H1 TIP3W5593 38.089 50.058 4.133 1.00 0.00 WT1 H ATOM 7396 H2 TIP3W5593 37.407 50.203 5.467 1.00 0.00 WT1 H ATOM 7397 OH2 TIP3W5604 41.930 46.660 18.028 1.00 0.00 WT1 O ATOM 7398 H1 TIP3W5604 42.146 47.551 17.815 1.00 0.00 WT1 H ATOM 7399 H2 TIP3W5604 41.830 46.722 18.961 1.00 0.00 WT1 H ATOM 7400 OH2 TIP3W5607 34.379 33.878 -19.715 1.00 0.00 WT1 O ATOM 7401 H1 TIP3W5607 34.793 33.862 -20.548 1.00 0.00 WT1 H ATOM 7402 H2 TIP3W5607 33.823 33.118 -19.662 1.00 0.00 WT1 H ATOM 7403 OH2 TIP3W5608 44.611 48.350 -20.873 1.00 0.00 WT1 O ATOM 7404 H1 TIP3W5608 44.614 48.940 -21.654 1.00 0.00 WT1 H ATOM 7405 H2 TIP3W5608 45.520 48.322 -20.540 1.00 0.00 WT1 H ATOM 7406 OH2 TIP3W5609 35.364 39.255 -17.800 1.00 0.00 WT1 O ATOM 7407 H1 TIP3W5609 35.449 39.836 -17.029 1.00 0.00 WT1 H ATOM 7408 H2 TIP3W5609 35.559 39.822 -18.560 1.00 0.00 WT1 H ATOM 7409 OH2 TIP3W5610 40.210 34.787 -11.024 1.00 0.00 WT1 O ATOM 7410 H1 TIP3W5610 39.751 34.457 -10.252 1.00 0.00 WT1 H ATOM 7411 H2 TIP3W5610 40.129 34.052 -11.677 1.00 0.00 WT1 H ATOM 7412 OH2 TIP3W5611 38.956 43.843 -2.458 1.00 0.00 WT1 O ATOM 7413 H1 TIP3W5611 38.559 42.959 -2.732 1.00 0.00 WT1 H ATOM 7414 H2 TIP3W5611 38.168 44.305 -2.227 1.00 0.00 WT1 H ATOM 7415 OH2 TIP3W5612 49.189 42.784 -17.955 1.00 0.00 WT1 O ATOM 7416 H1 TIP3W5612 48.755 41.955 -17.652 1.00 0.00 WT1 H ATOM 7417 H2 TIP3W5612 50.038 42.641 -17.516 1.00 0.00 WT1 H ATOM 7418 OH2 TIP3W5613 43.901 34.967 0.242 1.00 0.00 WT1 O ATOM 7419 H1 TIP3W5613 43.146 35.076 -0.428 1.00 0.00 WT1 H ATOM 7420 H2 TIP3W5613 43.762 35.748 0.853 1.00 0.00 WT1 H ATOM 7421 OH2 TIP3W5617 43.365 44.974 5.396 1.00 0.00 WT1 O ATOM 7422 H1 TIP3W5617 42.510 45.246 5.781 1.00 0.00 WT1 H ATOM 7423 H2 TIP3W5617 43.170 44.893 4.444 1.00 0.00 WT1 H ATOM 7424 OH2 TIP3W5619 43.458 43.289 18.079 1.00 0.00 WT1 O ATOM 7425 H1 TIP3W5619 43.186 43.178 17.171 1.00 0.00 WT1 H ATOM 7426 H2 TIP3W5619 42.620 43.119 18.524 1.00 0.00 WT1 H ATOM 7427 OH2 TIP3W5623 45.170 48.351 15.022 1.00 0.00 WT1 O ATOM 7428 H1 TIP3W5623 45.026 49.270 14.812 1.00 0.00 WT1 H ATOM 7429 H2 TIP3W5623 44.983 47.898 14.216 1.00 0.00 WT1 H ATOM 7430 OH2 TIP3W5628 29.011 42.698 14.609 1.00 0.00 WT1 O ATOM 7431 H1 TIP3W5628 28.591 42.023 14.058 1.00 0.00 WT1 H ATOM 7432 H2 TIP3W5628 29.512 42.183 15.213 1.00 0.00 WT1 H ATOM 7433 OH2 TIP3W5631 46.817 47.734 -19.233 1.00 0.00 WT1 O ATOM 7434 H1 TIP3W5631 46.957 46.866 -18.999 1.00 0.00 WT1 H ATOM 7435 H2 TIP3W5631 47.504 48.150 -18.708 1.00 0.00 WT1 H ATOM 7436 OH2 TIP3W5632 51.170 50.085 -14.931 1.00 0.00 WT1 O ATOM 7437 H1 TIP3W5632 51.926 50.562 -15.235 1.00 0.00 WT1 H ATOM 7438 H2 TIP3W5632 50.722 50.843 -14.536 1.00 0.00 WT1 H ATOM 7439 OH2 TIP3W5633 44.148 43.945 -11.962 1.00 0.00 WT1 O ATOM 7440 H1 TIP3W5633 44.067 44.918 -11.823 1.00 0.00 WT1 H ATOM 7441 H2 TIP3W5633 43.665 43.731 -12.840 1.00 0.00 WT1 H ATOM 7442 OH2 TIP3W5638 45.017 42.575 7.458 1.00 0.00 WT1 O ATOM 7443 H1 TIP3W5638 45.834 42.151 7.135 1.00 0.00 WT1 H ATOM 7444 H2 TIP3W5638 45.179 42.468 8.386 1.00 0.00 WT1 H ATOM 7445 OH2 TIP3W5639 38.102 46.711 13.175 1.00 0.00 WT1 O ATOM 7446 H1 TIP3W5639 38.406 47.631 13.092 1.00 0.00 WT1 H ATOM 7447 H2 TIP3W5639 38.097 46.380 12.237 1.00 0.00 WT1 H ATOM 7448 OH2 TIP3W5641 39.392 44.969 20.117 1.00 0.00 WT1 O ATOM 7449 H1 TIP3W5641 39.049 44.611 20.930 1.00 0.00 WT1 H ATOM 7450 H2 TIP3W5641 40.185 45.464 20.370 1.00 0.00 WT1 H ATOM 7451 OH2 TIP3W5643 37.892 43.695 17.904 1.00 0.00 WT1 O ATOM 7452 H1 TIP3W5643 38.180 44.211 17.143 1.00 0.00 WT1 H ATOM 7453 H2 TIP3W5643 38.442 44.018 18.653 1.00 0.00 WT1 H ATOM 7454 OH2 TIP3W5648 51.785 47.860 21.322 1.00 0.00 WT1 O ATOM 7455 H1 TIP3W5648 50.829 48.108 21.196 1.00 0.00 WT1 H ATOM 7456 H2 TIP3W5648 51.735 47.001 20.895 1.00 0.00 WT1 H ATOM 7457 OH2 TIP3W5650 49.521 3.898 -18.049 1.00 0.00 WT1 O ATOM 7458 H1 TIP3W5650 49.325 3.564 -17.159 1.00 0.00 WT1 H ATOM 7459 H2 TIP3W5650 50.106 3.170 -18.369 1.00 0.00 WT1 H ATOM 7460 OH2 TIP3W5661 46.894 44.930 6.863 1.00 0.00 WT1 O ATOM 7461 H1 TIP3W5661 46.538 45.794 6.624 1.00 0.00 WT1 H ATOM 7462 H2 TIP3W5661 46.083 44.417 7.016 1.00 0.00 WT1 H ATOM 7463 OH2 TIP3W5667 40.786 46.070 6.009 1.00 0.00 WT1 O ATOM 7464 H1 TIP3W5667 40.507 46.271 6.906 1.00 0.00 WT1 H ATOM 7465 H2 TIP3W5667 40.264 45.282 5.735 1.00 0.00 WT1 H ATOM 7466 OH2 TIP3W5669 42.821 0.616 -16.246 1.00 0.00 WT1 O ATOM 7467 H1 TIP3W5669 42.199 1.151 -16.726 1.00 0.00 WT1 H ATOM 7468 H2 TIP3W5669 42.309 0.338 -15.530 1.00 0.00 WT1 H ATOM 7469 OH2 TIP3W5675 47.468 46.584 -2.981 1.00 0.00 WT1 O ATOM 7470 H1 TIP3W5675 46.871 47.194 -2.495 1.00 0.00 WT1 H ATOM 7471 H2 TIP3W5675 47.551 46.937 -3.867 1.00 0.00 WT1 H ATOM 7472 OH2 TIP3W5676 41.348 2.807 -11.424 1.00 0.00 WT1 O ATOM 7473 H1 TIP3W5676 42.237 3.108 -11.734 1.00 0.00 WT1 H ATOM 7474 H2 TIP3W5676 40.876 3.620 -11.568 1.00 0.00 WT1 H ATOM 7475 OH2 TIP3W5678 48.595 1.003 -3.062 1.00 0.00 WT1 O ATOM 7476 H1 TIP3W5678 49.169 0.472 -2.378 1.00 0.00 WT1 H ATOM 7477 H2 TIP3W5678 49.195 1.724 -3.310 1.00 0.00 WT1 H ATOM 7478 OH2 TIP3W5679 46.626 9.044 -4.229 1.00 0.00 WT1 O ATOM 7479 H1 TIP3W5679 45.816 9.056 -3.744 1.00 0.00 WT1 H ATOM 7480 H2 TIP3W5679 46.664 9.928 -4.727 1.00 0.00 WT1 H ATOM 7481 OH2 TIP3W5681 39.779 46.870 10.449 1.00 0.00 WT1 O ATOM 7482 H1 TIP3W5681 39.019 46.237 10.300 1.00 0.00 WT1 H ATOM 7483 H2 TIP3W5681 40.432 46.518 9.804 1.00 0.00 WT1 H ATOM 7484 OH2 TIP3W5682 49.312 47.467 10.976 1.00 0.00 WT1 O ATOM 7485 H1 TIP3W5682 48.536 47.417 10.494 1.00 0.00 WT1 H ATOM 7486 H2 TIP3W5682 49.015 47.927 11.769 1.00 0.00 WT1 H ATOM 7487 OH2 TIP3W5684 40.861 47.459 15.052 1.00 0.00 WT1 O ATOM 7488 H1 TIP3W5684 41.738 47.461 14.583 1.00 0.00 WT1 H ATOM 7489 H2 TIP3W5684 40.995 46.688 15.641 1.00 0.00 WT1 H ATOM 7490 OH2 TIP3W5690 33.600 2.995 -9.402 1.00 0.00 WT1 O ATOM 7491 H1 TIP3W5690 34.152 2.667 -10.096 1.00 0.00 WT1 H ATOM 7492 H2 TIP3W5690 32.709 2.583 -9.635 1.00 0.00 WT1 H ATOM 7493 OH2 TIP3W5697 48.485 20.485 -5.610 1.00 0.00 WT1 O ATOM 7494 H1 TIP3W5697 49.292 19.827 -5.707 1.00 0.00 WT1 H ATOM 7495 H2 TIP3W5697 48.936 21.410 -5.612 1.00 0.00 WT1 H ATOM 7496 OH2 TIP3W5704 48.956 2.898 3.503 1.00 0.00 WT1 O ATOM 7497 H1 TIP3W5704 49.397 2.806 2.656 1.00 0.00 WT1 H ATOM 7498 H2 TIP3W5704 48.976 1.972 3.894 1.00 0.00 WT1 H ATOM 7499 OH2 TIP3W5710 39.742 0.550 -11.471 1.00 0.00 WT1 O ATOM 7500 H1 TIP3W5710 40.521 1.121 -11.336 1.00 0.00 WT1 H ATOM 7501 H2 TIP3W5710 39.817 -0.082 -10.697 1.00 0.00 WT1 H ATOM 7502 OH2 TIP3W5713 43.731 -0.243 -5.355 1.00 0.00 WT1 O ATOM 7503 H1 TIP3W5713 43.451 0.066 -6.278 1.00 0.00 WT1 H ATOM 7504 H2 TIP3W5713 43.410 0.498 -4.838 1.00 0.00 WT1 H ATOM 7505 OH2 TIP3W5714 46.021 0.661 -7.249 1.00 0.00 WT1 O ATOM 7506 H1 TIP3W5714 46.538 1.369 -7.698 1.00 0.00 WT1 H ATOM 7507 H2 TIP3W5714 45.632 1.169 -6.525 1.00 0.00 WT1 H ATOM 7508 OH2 TIP3W5717 25.714 49.735 -9.621 1.00 0.00 WT1 O ATOM 7509 H1 TIP3W5717 26.453 50.191 -10.081 1.00 0.00 WT1 H ATOM 7510 H2 TIP3W5717 25.863 49.975 -8.680 1.00 0.00 WT1 H ATOM 7511 OH2 TIP3W5718 47.368 45.566 3.511 1.00 0.00 WT1 O ATOM 7512 H1 TIP3W5718 46.872 45.002 2.928 1.00 0.00 WT1 H ATOM 7513 H2 TIP3W5718 46.934 45.405 4.375 1.00 0.00 WT1 H ATOM 7514 OH2 TIP3W5719 41.107 0.865 4.668 1.00 0.00 WT1 O ATOM 7515 H1 TIP3W5719 41.054 0.286 5.375 1.00 0.00 WT1 H ATOM 7516 H2 TIP3W5719 41.776 0.468 4.061 1.00 0.00 WT1 H ATOM 7517 OH2 TIP3W5720 41.649 4.812 -1.586 1.00 0.00 WT1 O ATOM 7518 H1 TIP3W5720 41.615 5.715 -2.030 1.00 0.00 WT1 H ATOM 7519 H2 TIP3W5720 42.229 5.004 -0.841 1.00 0.00 WT1 H ATOM 7520 OH2 TIP3W5722 48.909 1.417 12.049 1.00 0.00 WT1 O ATOM 7521 H1 TIP3W5722 49.866 1.391 11.841 1.00 0.00 WT1 H ATOM 7522 H2 TIP3W5722 48.856 1.435 13.035 1.00 0.00 WT1 H ATOM 7523 OH2 TIP3W5723 31.229 2.813 1.430 1.00 0.00 WT1 O ATOM 7524 H1 TIP3W5723 31.856 3.170 2.111 1.00 0.00 WT1 H ATOM 7525 H2 TIP3W5723 31.802 2.649 0.632 1.00 0.00 WT1 H ATOM 7526 OH2 TIP3W5727 51.249 4.173 20.011 1.00 0.00 WT1 O ATOM 7527 H1 TIP3W5727 51.159 3.484 20.674 1.00 0.00 WT1 H ATOM 7528 H2 TIP3W5727 51.323 3.702 19.143 1.00 0.00 WT1 H ATOM 7529 OH2 TIP3W5734 45.854 4.598 -11.879 1.00 0.00 WT1 O ATOM 7530 H1 TIP3W5734 45.794 5.114 -11.086 1.00 0.00 WT1 H ATOM 7531 H2 TIP3W5734 46.767 4.684 -12.088 1.00 0.00 WT1 H ATOM 7532 OH2 TIP3W5736 43.079 2.872 -6.553 1.00 0.00 WT1 O ATOM 7533 H1 TIP3W5736 43.950 3.089 -6.217 1.00 0.00 WT1 H ATOM 7534 H2 TIP3W5736 42.735 3.683 -6.956 1.00 0.00 WT1 H ATOM 7535 OH2 TIP3W5738 50.476 3.354 -3.129 1.00 0.00 WT1 O ATOM 7536 H1 TIP3W5738 50.637 3.698 -2.241 1.00 0.00 WT1 H ATOM 7537 H2 TIP3W5738 49.661 3.797 -3.352 1.00 0.00 WT1 H ATOM 7538 OH2 TIP3W5755 47.319 15.834 -21.486 1.00 0.00 WT1 O ATOM 7539 H1 TIP3W5755 46.524 16.350 -21.380 1.00 0.00 WT1 H ATOM 7540 H2 TIP3W5755 47.077 15.008 -21.018 1.00 0.00 WT1 H ATOM 7541 OH2 TIP3W5756 43.030 -0.515 -11.836 1.00 0.00 WT1 O ATOM 7542 H1 TIP3W5756 42.853 -0.175 -12.733 1.00 0.00 WT1 H ATOM 7543 H2 TIP3W5756 43.351 0.235 -11.347 1.00 0.00 WT1 H ATOM 7544 OH2 TIP3W5758 46.810 -0.893 -15.707 1.00 0.00 WT1 O ATOM 7545 H1 TIP3W5758 46.553 -1.053 -14.772 1.00 0.00 WT1 H ATOM 7546 H2 TIP3W5758 47.791 -1.093 -15.793 1.00 0.00 WT1 H ATOM 7547 OH2 TIP3W5760 42.774 0.081 2.445 1.00 0.00 WT1 O ATOM 7548 H1 TIP3W5760 43.006 -0.655 3.013 1.00 0.00 WT1 H ATOM 7549 H2 TIP3W5760 43.210 -0.195 1.594 1.00 0.00 WT1 H ATOM 7550 OH2 TIP3W5762 44.834 3.732 -2.897 1.00 0.00 WT1 O ATOM 7551 H1 TIP3W5762 44.737 3.899 -1.928 1.00 0.00 WT1 H ATOM 7552 H2 TIP3W5762 44.030 3.144 -3.104 1.00 0.00 WT1 H ATOM 7553 OH2 TIP3W5764 48.932 3.630 -7.898 1.00 0.00 WT1 O ATOM 7554 H1 TIP3W5764 49.089 3.923 -8.795 1.00 0.00 WT1 H ATOM 7555 H2 TIP3W5764 49.596 4.107 -7.387 1.00 0.00 WT1 H ATOM 7556 OH2 TIP3W5765 42.200 0.411 15.321 1.00 0.00 WT1 O ATOM 7557 H1 TIP3W5765 42.990 0.090 15.839 1.00 0.00 WT1 H ATOM 7558 H2 TIP3W5765 41.539 0.506 16.025 1.00 0.00 WT1 H ATOM 7559 OH2 TIP3W5767 40.769 2.223 -1.050 1.00 0.00 WT1 O ATOM 7560 H1 TIP3W5767 40.251 2.255 -0.252 1.00 0.00 WT1 H ATOM 7561 H2 TIP3W5767 41.064 3.168 -1.173 1.00 0.00 WT1 H ATOM 7562 OH2 TIP3W5777 44.235 8.433 -21.660 1.00 0.00 WT1 O ATOM 7563 H1 TIP3W5777 44.244 9.380 -21.626 1.00 0.00 WT1 H ATOM 7564 H2 TIP3W5777 43.285 8.154 -21.591 1.00 0.00 WT1 H ATOM 7565 OH2 TIP3W5779 49.316 15.503 -17.833 1.00 0.00 WT1 O ATOM 7566 H1 TIP3W5779 48.502 14.972 -17.790 1.00 0.00 WT1 H ATOM 7567 H2 TIP3W5779 49.634 15.266 -18.702 1.00 0.00 WT1 H ATOM 7568 OH2 TIP3W5780 47.288 6.225 -1.511 1.00 0.00 WT1 O ATOM 7569 H1 TIP3W5780 47.755 6.358 -2.300 1.00 0.00 WT1 H ATOM 7570 H2 TIP3W5780 46.730 6.997 -1.314 1.00 0.00 WT1 H ATOM 7571 OH2 TIP3W5781 51.033 12.306 3.952 1.00 0.00 WT1 O ATOM 7572 H1 TIP3W5781 51.400 12.485 4.807 1.00 0.00 WT1 H ATOM 7573 H2 TIP3W5781 51.468 11.435 3.685 1.00 0.00 WT1 H ATOM 7574 OH2 TIP3W5783 46.012 1.980 15.352 1.00 0.00 WT1 O ATOM 7575 H1 TIP3W5783 46.512 1.142 14.989 1.00 0.00 WT1 H ATOM 7576 H2 TIP3W5783 46.446 2.710 14.914 1.00 0.00 WT1 H ATOM 7577 OH2 TIP3W5785 32.721 3.961 16.771 1.00 0.00 WT1 O ATOM 7578 H1 TIP3W5785 32.948 4.551 17.490 1.00 0.00 WT1 H ATOM 7579 H2 TIP3W5785 33.199 3.201 16.944 1.00 0.00 WT1 H ATOM 7580 OH2 TIP3W5786 48.553 6.687 8.981 1.00 0.00 WT1 O ATOM 7581 H1 TIP3W5786 48.790 6.541 9.918 1.00 0.00 WT1 H ATOM 7582 H2 TIP3W5786 47.684 6.310 8.883 1.00 0.00 WT1 H ATOM 7583 OH2 TIP3W5787 39.188 2.231 20.553 1.00 0.00 WT1 O ATOM 7584 H1 TIP3W5787 38.842 2.651 21.342 1.00 0.00 WT1 H ATOM 7585 H2 TIP3W5787 40.111 2.448 20.598 1.00 0.00 WT1 H ATOM 7586 OH2 TIP3W5788 45.321 5.208 11.968 1.00 0.00 WT1 O ATOM 7587 H1 TIP3W5788 44.844 4.586 11.376 1.00 0.00 WT1 H ATOM 7588 H2 TIP3W5788 44.633 5.522 12.531 1.00 0.00 WT1 H ATOM 7589 OH2 TIP3W5791 42.194 8.387 10.851 1.00 0.00 WT1 O ATOM 7590 H1 TIP3W5791 41.793 8.806 10.076 1.00 0.00 WT1 H ATOM 7591 H2 TIP3W5791 42.303 9.144 11.425 1.00 0.00 WT1 H ATOM 7592 OH2 TIP3W5795 34.744 9.275 -8.526 1.00 0.00 WT1 O ATOM 7593 H1 TIP3W5795 33.927 8.763 -8.617 1.00 0.00 WT1 H ATOM 7594 H2 TIP3W5795 34.846 9.323 -7.561 1.00 0.00 WT1 H ATOM 7595 OH2 TIP3W5797 45.821 21.092 -17.442 1.00 0.00 WT1 O ATOM 7596 H1 TIP3W5797 45.522 21.985 -17.666 1.00 0.00 WT1 H ATOM 7597 H2 TIP3W5797 46.744 21.058 -17.780 1.00 0.00 WT1 H ATOM 7598 OH2 TIP3W5799 44.958 11.739 0.332 1.00 0.00 WT1 O ATOM 7599 H1 TIP3W5799 45.148 12.681 0.291 1.00 0.00 WT1 H ATOM 7600 H2 TIP3W5799 45.820 11.283 0.462 1.00 0.00 WT1 H ATOM 7601 OH2 TIP3W5802 50.394 1.366 -5.421 1.00 0.00 WT1 O ATOM 7602 H1 TIP3W5802 49.561 1.827 -5.631 1.00 0.00 WT1 H ATOM 7603 H2 TIP3W5802 50.996 2.131 -5.230 1.00 0.00 WT1 H ATOM 7604 OH2 TIP3W5803 35.677 1.066 6.910 1.00 0.00 WT1 O ATOM 7605 H1 TIP3W5803 36.202 1.851 7.251 1.00 0.00 WT1 H ATOM 7606 H2 TIP3W5803 35.688 0.488 7.665 1.00 0.00 WT1 H ATOM 7607 OH2 TIP3W5804 26.584 1.570 6.211 1.00 0.00 WT1 O ATOM 7608 H1 TIP3W5804 26.209 1.637 7.106 1.00 0.00 WT1 H ATOM 7609 H2 TIP3W5804 26.659 0.604 6.030 1.00 0.00 WT1 H ATOM 7610 OH2 TIP3W5806 43.327 4.504 10.040 1.00 0.00 WT1 O ATOM 7611 H1 TIP3W5806 43.753 3.899 9.445 1.00 0.00 WT1 H ATOM 7612 H2 TIP3W5806 42.999 5.212 9.398 1.00 0.00 WT1 H ATOM 7613 OH2 TIP3W5807 41.915 9.776 14.800 1.00 0.00 WT1 O ATOM 7614 H1 TIP3W5807 42.415 10.574 15.083 1.00 0.00 WT1 H ATOM 7615 H2 TIP3W5807 41.065 10.193 14.464 1.00 0.00 WT1 H ATOM 7616 OH2 TIP3W5808 45.192 15.340 16.128 1.00 0.00 WT1 O ATOM 7617 H1 TIP3W5808 44.824 15.640 15.338 1.00 0.00 WT1 H ATOM 7618 H2 TIP3W5808 46.150 15.296 15.945 1.00 0.00 WT1 H ATOM 7619 OH2 TIP3W5812 42.176 13.366 21.845 1.00 0.00 WT1 O ATOM 7620 H1 TIP3W5812 41.586 14.204 21.964 1.00 0.00 WT1 H ATOM 7621 H2 TIP3W5812 43.005 13.871 21.608 1.00 0.00 WT1 H ATOM 7622 OH2 TIP3W5818 39.261 27.816 -20.010 1.00 0.00 WT1 O ATOM 7623 H1 TIP3W5818 39.802 28.467 -20.397 1.00 0.00 WT1 H ATOM 7624 H2 TIP3W5818 38.374 28.138 -20.296 1.00 0.00 WT1 H ATOM 7625 OH2 TIP3W5820 39.870 9.423 -10.749 1.00 0.00 WT1 O ATOM 7626 H1 TIP3W5820 40.256 8.876 -10.038 1.00 0.00 WT1 H ATOM 7627 H2 TIP3W5820 39.422 8.705 -11.320 1.00 0.00 WT1 H ATOM 7628 OH2 TIP3W5823 46.588 19.829 -7.796 1.00 0.00 WT1 O ATOM 7629 H1 TIP3W5823 47.048 20.062 -7.040 1.00 0.00 WT1 H ATOM 7630 H2 TIP3W5823 46.225 20.667 -8.091 1.00 0.00 WT1 H ATOM 7631 OH2 TIP3W5824 36.689 0.048 4.736 1.00 0.00 WT1 O ATOM 7632 H1 TIP3W5824 36.337 -0.872 4.662 1.00 0.00 WT1 H ATOM 7633 H2 TIP3W5824 36.536 0.369 5.616 1.00 0.00 WT1 H ATOM 7634 OH2 TIP3W5829 39.531 25.306 21.826 1.00 0.00 WT1 O ATOM 7635 H1 TIP3W5829 38.891 25.190 22.550 1.00 0.00 WT1 H ATOM 7636 H2 TIP3W5829 40.081 24.511 21.930 1.00 0.00 WT1 H ATOM 7637 OH2 TIP3W5832 47.295 24.027 5.461 1.00 0.00 WT1 O ATOM 7638 H1 TIP3W5832 47.653 23.699 6.335 1.00 0.00 WT1 H ATOM 7639 H2 TIP3W5832 46.320 24.010 5.666 1.00 0.00 WT1 H ATOM 7640 OH2 TIP3W5836 50.495 10.747 -10.851 1.00 0.00 WT1 O ATOM 7641 H1 TIP3W5836 50.145 11.576 -10.879 1.00 0.00 WT1 H ATOM 7642 H2 TIP3W5836 49.906 10.272 -10.190 1.00 0.00 WT1 H ATOM 7643 OH2 TIP3W5837 49.533 5.670 -20.129 1.00 0.00 WT1 O ATOM 7644 H1 TIP3W5837 50.372 6.181 -20.233 1.00 0.00 WT1 H ATOM 7645 H2 TIP3W5837 49.654 5.147 -19.321 1.00 0.00 WT1 H ATOM 7646 OH2 TIP3W5839 37.338 15.277 -16.828 1.00 0.00 WT1 O ATOM 7647 H1 TIP3W5839 36.798 15.570 -16.102 1.00 0.00 WT1 H ATOM 7648 H2 TIP3W5839 37.846 14.598 -16.345 1.00 0.00 WT1 H ATOM 7649 OH2 TIP3W5840 40.232 27.160 -17.093 1.00 0.00 WT1 O ATOM 7650 H1 TIP3W5840 39.484 27.100 -17.708 1.00 0.00 WT1 H ATOM 7651 H2 TIP3W5840 40.836 27.886 -17.448 1.00 0.00 WT1 H ATOM 7652 OH2 TIP3W5841 44.093 1.781 -10.087 1.00 0.00 WT1 O ATOM 7653 H1 TIP3W5841 44.905 2.209 -10.236 1.00 0.00 WT1 H ATOM 7654 H2 TIP3W5841 44.187 1.569 -9.170 1.00 0.00 WT1 H ATOM 7655 OH2 TIP3W5844 44.008 9.125 -2.773 1.00 0.00 WT1 O ATOM 7656 H1 TIP3W5844 43.606 9.689 -3.413 1.00 0.00 WT1 H ATOM 7657 H2 TIP3W5844 43.263 8.568 -2.462 1.00 0.00 WT1 H ATOM 7658 OH2 TIP3W5846 44.546 17.792 -4.599 1.00 0.00 WT1 O ATOM 7659 H1 TIP3W5846 45.289 18.403 -4.335 1.00 0.00 WT1 H ATOM 7660 H2 TIP3W5846 43.816 18.153 -4.122 1.00 0.00 WT1 H ATOM 7661 OH2 TIP3W5847 46.154 32.028 3.792 1.00 0.00 WT1 O ATOM 7662 H1 TIP3W5847 45.612 32.692 4.263 1.00 0.00 WT1 H ATOM 7663 H2 TIP3W5847 47.062 32.139 4.026 1.00 0.00 WT1 H ATOM 7664 OH2 TIP3W5861 41.753 22.741 -13.983 1.00 0.00 WT1 O ATOM 7665 H1 TIP3W5861 41.276 23.553 -14.198 1.00 0.00 WT1 H ATOM 7666 H2 TIP3W5861 41.573 22.199 -14.763 1.00 0.00 WT1 H ATOM 7667 OH2 TIP3W5862 41.543 18.579 -14.612 1.00 0.00 WT1 O ATOM 7668 H1 TIP3W5862 41.406 17.960 -15.287 1.00 0.00 WT1 H ATOM 7669 H2 TIP3W5862 42.276 18.229 -14.064 1.00 0.00 WT1 H ATOM 7670 OH2 TIP3W5870 26.159 29.781 17.515 1.00 0.00 WT1 O ATOM 7671 H1 TIP3W5870 25.991 28.814 17.554 1.00 0.00 WT1 H ATOM 7672 H2 TIP3W5870 27.129 29.792 17.707 1.00 0.00 WT1 H ATOM 7673 OH2 TIP3W5873 44.512 7.414 10.239 1.00 0.00 WT1 O ATOM 7674 H1 TIP3W5873 43.685 7.848 10.461 1.00 0.00 WT1 H ATOM 7675 H2 TIP3W5873 44.482 6.705 10.891 1.00 0.00 WT1 H ATOM 7676 OH2 TIP3W5881 39.754 8.463 -17.659 1.00 0.00 WT1 O ATOM 7677 H1 TIP3W5881 39.208 8.755 -16.961 1.00 0.00 WT1 H ATOM 7678 H2 TIP3W5881 39.954 7.564 -17.246 1.00 0.00 WT1 H ATOM 7679 OH2 TIP3W5884 43.586 3.492 -12.884 1.00 0.00 WT1 O ATOM 7680 H1 TIP3W5884 43.663 4.236 -13.470 1.00 0.00 WT1 H ATOM 7681 H2 TIP3W5884 44.283 3.678 -12.257 1.00 0.00 WT1 H ATOM 7682 OH2 TIP3W5887 48.413 28.874 -13.438 1.00 0.00 WT1 O ATOM 7683 H1 TIP3W5887 48.049 28.928 -12.547 1.00 0.00 WT1 H ATOM 7684 H2 TIP3W5887 48.959 29.629 -13.514 1.00 0.00 WT1 H ATOM 7685 OH2 TIP3W5889 40.594 11.738 -11.846 1.00 0.00 WT1 O ATOM 7686 H1 TIP3W5889 40.581 10.858 -11.355 1.00 0.00 WT1 H ATOM 7687 H2 TIP3W5889 39.844 11.620 -12.497 1.00 0.00 WT1 H ATOM 7688 OH2 TIP3W5890 40.997 13.314 14.047 1.00 0.00 WT1 O ATOM 7689 H1 TIP3W5890 41.637 13.321 13.365 1.00 0.00 WT1 H ATOM 7690 H2 TIP3W5890 41.387 13.869 14.733 1.00 0.00 WT1 H ATOM 7691 OH2 TIP3W5891 46.623 23.394 11.133 1.00 0.00 WT1 O ATOM 7692 H1 TIP3W5891 45.779 23.102 11.277 1.00 0.00 WT1 H ATOM 7693 H2 TIP3W5891 47.024 22.665 10.605 1.00 0.00 WT1 H ATOM 7694 OH2 TIP3W5897 44.120 10.257 20.660 1.00 0.00 WT1 O ATOM 7695 H1 TIP3W5897 44.356 10.695 19.825 1.00 0.00 WT1 H ATOM 7696 H2 TIP3W5897 43.175 10.548 20.859 1.00 0.00 WT1 H ATOM 7697 OH2 TIP3W5903 47.238 26.647 -14.766 1.00 0.00 WT1 O ATOM 7698 H1 TIP3W5903 47.724 26.412 -15.612 1.00 0.00 WT1 H ATOM 7699 H2 TIP3W5903 47.729 27.457 -14.394 1.00 0.00 WT1 H ATOM 7700 OH2 TIP3W5904 48.480 34.844 -15.183 1.00 0.00 WT1 O ATOM 7701 H1 TIP3W5904 49.382 34.674 -15.461 1.00 0.00 WT1 H ATOM 7702 H2 TIP3W5904 48.584 35.353 -14.392 1.00 0.00 WT1 H ATOM 7703 OH2 TIP3W5908 47.564 37.547 5.588 1.00 0.00 WT1 O ATOM 7704 H1 TIP3W5908 48.492 37.174 5.402 1.00 0.00 WT1 H ATOM 7705 H2 TIP3W5908 47.019 36.964 5.002 1.00 0.00 WT1 H ATOM 7706 OH2 TIP3W5909 46.402 14.478 -9.063 1.00 0.00 WT1 O ATOM 7707 H1 TIP3W5909 46.690 15.355 -9.414 1.00 0.00 WT1 H ATOM 7708 H2 TIP3W5909 46.638 14.576 -8.110 1.00 0.00 WT1 H ATOM 7709 OH2 TIP3W5912 51.121 29.385 12.763 1.00 0.00 WT1 O ATOM 7710 H1 TIP3W5912 50.500 28.867 12.299 1.00 0.00 WT1 H ATOM 7711 H2 TIP3W5912 51.643 28.673 13.293 1.00 0.00 WT1 H ATOM 7712 OH2 TIP3W5914 42.781 9.442 18.089 1.00 0.00 WT1 O ATOM 7713 H1 TIP3W5914 43.700 9.069 17.971 1.00 0.00 WT1 H ATOM 7714 H2 TIP3W5914 42.778 10.167 17.470 1.00 0.00 WT1 H ATOM 7715 OH2 TIP3W5916 51.206 15.048 18.480 1.00 0.00 WT1 O ATOM 7716 H1 TIP3W5916 50.402 15.029 19.065 1.00 0.00 WT1 H ATOM 7717 H2 TIP3W5916 51.931 14.733 19.009 1.00 0.00 WT1 H ATOM 7718 OH2 TIP3W5920 38.820 12.276 -16.236 1.00 0.00 WT1 O ATOM 7719 H1 TIP3W5920 39.072 12.354 -17.151 1.00 0.00 WT1 H ATOM 7720 H2 TIP3W5920 38.425 11.352 -16.189 1.00 0.00 WT1 H ATOM 7721 OH2 TIP3W5925 34.426 36.700 -19.030 1.00 0.00 WT1 O ATOM 7722 H1 TIP3W5925 35.049 36.533 -18.326 1.00 0.00 WT1 H ATOM 7723 H2 TIP3W5925 34.124 35.791 -19.220 1.00 0.00 WT1 H ATOM 7724 OH2 TIP3W5926 45.996 13.391 -11.633 1.00 0.00 WT1 O ATOM 7725 H1 TIP3W5926 46.157 13.706 -10.703 1.00 0.00 WT1 H ATOM 7726 H2 TIP3W5926 45.084 13.050 -11.556 1.00 0.00 WT1 H ATOM 7727 OH2 TIP3W5927 44.014 39.766 -12.563 1.00 0.00 WT1 O ATOM 7728 H1 TIP3W5927 43.509 40.130 -13.292 1.00 0.00 WT1 H ATOM 7729 H2 TIP3W5927 44.900 39.708 -12.972 1.00 0.00 WT1 H ATOM 7730 OH2 TIP3W5931 50.305 28.622 21.593 1.00 0.00 WT1 O ATOM 7731 H1 TIP3W5931 49.881 28.244 20.778 1.00 0.00 WT1 H ATOM 7732 H2 TIP3W5931 51.248 28.542 21.302 1.00 0.00 WT1 H ATOM 7733 OH2 TIP3W5933 35.338 35.600 19.188 1.00 0.00 WT1 O ATOM 7734 H1 TIP3W5933 35.152 36.483 19.547 1.00 0.00 WT1 H ATOM 7735 H2 TIP3W5933 36.309 35.624 19.049 1.00 0.00 WT1 H ATOM 7736 OH2 TIP3W5937 50.432 31.288 21.654 1.00 0.00 WT1 O ATOM 7737 H1 TIP3W5937 49.426 31.314 21.663 1.00 0.00 WT1 H ATOM 7738 H2 TIP3W5937 50.547 30.393 21.338 1.00 0.00 WT1 H ATOM 7739 OH2 TIP3W5941 40.237 36.136 -5.636 1.00 0.00 WT1 O ATOM 7740 H1 TIP3W5941 39.821 36.360 -4.778 1.00 0.00 WT1 H ATOM 7741 H2 TIP3W5941 39.973 35.257 -5.892 1.00 0.00 WT1 H ATOM 7742 OH2 TIP3W5946 50.185 37.133 -8.158 1.00 0.00 WT1 O ATOM 7743 H1 TIP3W5946 49.989 36.358 -8.798 1.00 0.00 WT1 H ATOM 7744 H2 TIP3W5946 50.906 37.659 -8.605 1.00 0.00 WT1 H ATOM 7745 OH2 TIP3W5948 49.067 23.211 -5.736 1.00 0.00 WT1 O ATOM 7746 H1 TIP3W5948 48.831 24.171 -5.732 1.00 0.00 WT1 H ATOM 7747 H2 TIP3W5948 49.892 23.331 -5.305 1.00 0.00 WT1 H ATOM 7748 OH2 TIP3W5950 45.634 45.776 -14.157 1.00 0.00 WT1 O ATOM 7749 H1 TIP3W5950 46.531 45.935 -14.333 1.00 0.00 WT1 H ATOM 7750 H2 TIP3W5950 45.260 45.848 -15.077 1.00 0.00 WT1 H ATOM 7751 OH2 TIP3W5952 47.457 23.996 15.557 1.00 0.00 WT1 O ATOM 7752 H1 TIP3W5952 47.874 23.115 15.338 1.00 0.00 WT1 H ATOM 7753 H2 TIP3W5952 47.499 24.456 14.711 1.00 0.00 WT1 H ATOM 7754 OH2 TIP3W5953 49.890 21.183 3.775 1.00 0.00 WT1 O ATOM 7755 H1 TIP3W5953 50.073 20.357 4.259 1.00 0.00 WT1 H ATOM 7756 H2 TIP3W5953 50.009 20.911 2.828 1.00 0.00 WT1 H ATOM 7757 OH2 TIP3W5954 41.682 16.760 19.730 1.00 0.00 WT1 O ATOM 7758 H1 TIP3W5954 42.640 16.451 19.617 1.00 0.00 WT1 H ATOM 7759 H2 TIP3W5954 41.413 16.455 20.589 1.00 0.00 WT1 H ATOM 7760 OH2 TIP3W5962 44.898 44.445 21.867 1.00 0.00 WT1 O ATOM 7761 H1 TIP3W5962 45.807 44.099 21.906 1.00 0.00 WT1 H ATOM 7762 H2 TIP3W5962 44.904 45.044 21.092 1.00 0.00 WT1 H ATOM 7763 OH2 TIP3W5965 48.473 26.504 -17.039 1.00 0.00 WT1 O ATOM 7764 H1 TIP3W5965 47.807 26.145 -17.718 1.00 0.00 WT1 H ATOM 7765 H2 TIP3W5965 48.377 27.497 -17.030 1.00 0.00 WT1 H ATOM 7766 OH2 TIP3W5966 51.668 34.138 -19.339 1.00 0.00 WT1 O ATOM 7767 H1 TIP3W5966 51.063 34.830 -19.676 1.00 0.00 WT1 H ATOM 7768 H2 TIP3W5966 52.056 34.606 -18.518 1.00 0.00 WT1 H ATOM 7769 OH2 TIP3W5967 44.856 41.467 4.424 1.00 0.00 WT1 O ATOM 7770 H1 TIP3W5967 44.249 40.845 3.982 1.00 0.00 WT1 H ATOM 7771 H2 TIP3W5967 44.347 41.811 5.191 1.00 0.00 WT1 H ATOM 7772 OH2 TIP3W5969 42.466 47.187 -10.396 1.00 0.00 WT1 O ATOM 7773 H1 TIP3W5969 41.750 46.851 -10.957 1.00 0.00 WT1 H ATOM 7774 H2 TIP3W5969 43.291 47.065 -10.900 1.00 0.00 WT1 H ATOM 7775 OH2 TIP3W5971 43.402 26.183 10.724 1.00 0.00 WT1 O ATOM 7776 H1 TIP3W5971 43.041 26.544 11.513 1.00 0.00 WT1 H ATOM 7777 H2 TIP3W5971 44.384 26.486 10.767 1.00 0.00 WT1 H ATOM 7778 OH2 TIP3W5973 40.006 32.841 12.484 1.00 0.00 WT1 O ATOM 7779 H1 TIP3W5973 40.180 32.038 11.925 1.00 0.00 WT1 H ATOM 7780 H2 TIP3W5973 40.816 33.289 12.383 1.00 0.00 WT1 H ATOM 7781 OH2 TIP3W5975 47.720 20.472 21.407 1.00 0.00 WT1 O ATOM 7782 H1 TIP3W5975 47.920 21.422 21.666 1.00 0.00 WT1 H ATOM 7783 H2 TIP3W5975 47.301 20.205 22.219 1.00 0.00 WT1 H ATOM 7784 OH2 TIP3W5976 41.841 38.740 10.325 1.00 0.00 WT1 O ATOM 7785 H1 TIP3W5976 40.978 38.691 9.877 1.00 0.00 WT1 H ATOM 7786 H2 TIP3W5976 42.377 39.187 9.634 1.00 0.00 WT1 H ATOM 7787 OH2 TIP3W5977 42.775 30.358 13.956 1.00 0.00 WT1 O ATOM 7788 H1 TIP3W5977 42.101 30.158 13.242 1.00 0.00 WT1 H ATOM 7789 H2 TIP3W5977 42.354 29.871 14.709 1.00 0.00 WT1 H ATOM 7790 OH2 TIP3W5978 49.001 32.048 12.304 1.00 0.00 WT1 O ATOM 7791 H1 TIP3W5978 49.736 32.326 12.922 1.00 0.00 WT1 H ATOM 7792 H2 TIP3W5978 48.142 32.291 12.782 1.00 0.00 WT1 H ATOM 7793 OH2 TIP3W5984 43.339 37.163 21.273 1.00 0.00 WT1 O ATOM 7794 H1 TIP3W5984 43.902 36.554 21.762 1.00 0.00 WT1 H ATOM 7795 H2 TIP3W5984 42.498 37.097 21.822 1.00 0.00 WT1 H ATOM 7796 OH2 TIP3W5986 48.258 38.788 -14.014 1.00 0.00 WT1 O ATOM 7797 H1 TIP3W5986 47.542 39.390 -14.186 1.00 0.00 WT1 H ATOM 7798 H2 TIP3W5986 47.825 38.005 -13.665 1.00 0.00 WT1 H ATOM 7799 OH2 TIP3W5987 39.861 43.629 -12.721 1.00 0.00 WT1 O ATOM 7800 H1 TIP3W5987 39.198 43.480 -12.070 1.00 0.00 WT1 H ATOM 7801 H2 TIP3W5987 39.301 43.612 -13.549 1.00 0.00 WT1 H ATOM 7802 OH2 TIP3W5988 45.341 30.009 -11.587 1.00 0.00 WT1 O ATOM 7803 H1 TIP3W5988 44.791 30.771 -11.916 1.00 0.00 WT1 H ATOM 7804 H2 TIP3W5988 45.894 30.421 -10.881 1.00 0.00 WT1 H ATOM 7805 OH2 TIP3W5990 38.838 47.813 -15.890 1.00 0.00 WT1 O ATOM 7806 H1 TIP3W5990 38.416 47.350 -15.145 1.00 0.00 WT1 H ATOM 7807 H2 TIP3W5990 38.098 48.165 -16.412 1.00 0.00 WT1 H ATOM 7808 OH2 TIP3W5992 37.371 35.111 -1.723 1.00 0.00 WT1 O ATOM 7809 H1 TIP3W5992 36.477 35.020 -2.032 1.00 0.00 WT1 H ATOM 7810 H2 TIP3W5992 37.569 34.193 -1.462 1.00 0.00 WT1 H ATOM 7811 OH2 TIP3W5994 49.997 29.874 -1.224 1.00 0.00 WT1 O ATOM 7812 H1 TIP3W5994 50.232 28.956 -0.978 1.00 0.00 WT1 H ATOM 7813 H2 TIP3W5994 50.866 30.234 -1.510 1.00 0.00 WT1 H ATOM 7814 OH2 TIP3W5996 40.341 27.910 12.289 1.00 0.00 WT1 O ATOM 7815 H1 TIP3W5996 41.019 27.522 12.826 1.00 0.00 WT1 H ATOM 7816 H2 TIP3W5996 39.529 27.870 12.755 1.00 0.00 WT1 H ATOM 7817 OH2 TIP3W5997 49.819 36.202 4.561 1.00 0.00 WT1 O ATOM 7818 H1 TIP3W5997 50.286 35.464 4.933 1.00 0.00 WT1 H ATOM 7819 H2 TIP3W5997 50.398 36.940 4.599 1.00 0.00 WT1 H ATOM 7820 OH2 TIP3W6000 45.351 38.990 21.188 1.00 0.00 WT1 O ATOM 7821 H1 TIP3W6000 45.257 39.600 20.434 1.00 0.00 WT1 H ATOM 7822 H2 TIP3W6000 44.599 38.425 21.091 1.00 0.00 WT1 H ATOM 7823 OH2 TIP3W6008 44.403 33.365 9.192 1.00 0.00 WT1 O ATOM 7824 H1 TIP3W6008 44.532 33.927 9.938 1.00 0.00 WT1 H ATOM 7825 H2 TIP3W6008 43.533 33.696 8.843 1.00 0.00 WT1 H ATOM 7826 OH2 TIP3W6011 43.393 50.168 -6.034 1.00 0.00 WT1 O ATOM 7827 H1 TIP3W6011 43.529 49.198 -5.936 1.00 0.00 WT1 H ATOM 7828 H2 TIP3W6011 43.369 50.293 -7.004 1.00 0.00 WT1 H ATOM 7829 OH2 TIP3W6012 43.280 38.506 6.262 1.00 0.00 WT1 O ATOM 7830 H1 TIP3W6012 44.177 38.368 6.590 1.00 0.00 WT1 H ATOM 7831 H2 TIP3W6012 43.387 38.105 5.360 1.00 0.00 WT1 H ATOM 7832 OH2 TIP3W6014 38.182 41.387 -2.747 1.00 0.00 WT1 O ATOM 7833 H1 TIP3W6014 38.810 40.856 -3.304 1.00 0.00 WT1 H ATOM 7834 H2 TIP3W6014 37.324 40.987 -2.844 1.00 0.00 WT1 H ATOM 7835 OH2 TIP3W6015 41.994 48.809 1.455 1.00 0.00 WT1 O ATOM 7836 H1 TIP3W6015 41.458 49.546 1.199 1.00 0.00 WT1 H ATOM 7837 H2 TIP3W6015 41.940 48.263 0.655 1.00 0.00 WT1 H ATOM 7838 OH2 TIP3W6016 49.161 32.849 18.592 1.00 0.00 WT1 O ATOM 7839 H1 TIP3W6016 48.769 32.549 19.466 1.00 0.00 WT1 H ATOM 7840 H2 TIP3W6016 49.270 32.027 18.046 1.00 0.00 WT1 H ATOM 7841 OH2 TIP3W6017 51.038 35.970 12.271 1.00 0.00 WT1 O ATOM 7842 H1 TIP3W6017 51.192 35.003 12.083 1.00 0.00 WT1 H ATOM 7843 H2 TIP3W6017 51.936 36.298 12.349 1.00 0.00 WT1 H ATOM 7844 OH2 TIP3W6021 25.385 41.575 11.053 1.00 0.00 WT1 O ATOM 7845 H1 TIP3W6021 24.737 42.168 11.447 1.00 0.00 WT1 H ATOM 7846 H2 TIP3W6021 24.959 40.681 11.214 1.00 0.00 WT1 H ATOM 7847 OH2 TIP3W6034 44.435 46.092 -1.799 1.00 0.00 WT1 O ATOM 7848 H1 TIP3W6034 45.071 46.553 -1.205 1.00 0.00 WT1 H ATOM 7849 H2 TIP3W6034 44.910 45.288 -2.026 1.00 0.00 WT1 H ATOM 7850 OH2 TIP3W6038 46.187 41.463 15.870 1.00 0.00 WT1 O ATOM 7851 H1 TIP3W6038 46.469 41.801 14.998 1.00 0.00 WT1 H ATOM 7852 H2 TIP3W6038 46.701 40.662 16.008 1.00 0.00 WT1 H ATOM 7853 OH2 TIP3W6041 40.336 44.576 13.110 1.00 0.00 WT1 O ATOM 7854 H1 TIP3W6041 39.681 44.319 12.393 1.00 0.00 WT1 H ATOM 7855 H2 TIP3W6041 40.610 43.811 13.687 1.00 0.00 WT1 H ATOM 7856 OH2 TIP3W6046 47.144 37.211 -16.423 1.00 0.00 WT1 O ATOM 7857 H1 TIP3W6046 46.411 37.396 -15.734 1.00 0.00 WT1 H ATOM 7858 H2 TIP3W6046 47.630 36.443 -16.046 1.00 0.00 WT1 H ATOM 7859 OH2 TIP3W6048 39.546 31.115 -16.849 1.00 0.00 WT1 O ATOM 7860 H1 TIP3W6048 38.684 30.748 -16.630 1.00 0.00 WT1 H ATOM 7861 H2 TIP3W6048 39.385 32.080 -16.656 1.00 0.00 WT1 H ATOM 7862 OH2 TIP3W6057 44.932 36.315 18.863 1.00 0.00 WT1 O ATOM 7863 H1 TIP3W6057 44.250 36.501 19.495 1.00 0.00 WT1 H ATOM 7864 H2 TIP3W6057 44.427 35.854 18.076 1.00 0.00 WT1 H ATOM 7865 OH2 TIP3W6060 48.440 36.383 17.274 1.00 0.00 WT1 O ATOM 7866 H1 TIP3W6060 48.626 37.365 17.047 1.00 0.00 WT1 H ATOM 7867 H2 TIP3W6060 48.459 36.433 18.258 1.00 0.00 WT1 H ATOM 7868 OH2 TIP3W6068 50.845 47.078 -19.422 1.00 0.00 WT1 O ATOM 7869 H1 TIP3W6068 49.942 47.192 -19.715 1.00 0.00 WT1 H ATOM 7870 H2 TIP3W6068 50.792 46.859 -18.461 1.00 0.00 WT1 H ATOM 7871 OH2 TIP3W6071 48.250 49.589 -15.092 1.00 0.00 WT1 O ATOM 7872 H1 TIP3W6071 47.747 49.842 -14.323 1.00 0.00 WT1 H ATOM 7873 H2 TIP3W6071 49.114 49.998 -15.036 1.00 0.00 WT1 H ATOM 7874 OH2 TIP3W6081 48.564 49.296 13.566 1.00 0.00 WT1 O ATOM 7875 H1 TIP3W6081 48.500 49.673 14.465 1.00 0.00 WT1 H ATOM 7876 H2 TIP3W6081 49.507 49.244 13.497 1.00 0.00 WT1 H ATOM 7877 OH2 TIP3W6082 40.275 43.168 4.898 1.00 0.00 WT1 O ATOM 7878 H1 TIP3W6082 39.332 43.097 5.112 1.00 0.00 WT1 H ATOM 7879 H2 TIP3W6082 40.312 42.819 3.997 1.00 0.00 WT1 H ATOM 7880 OH2 TIP3W6090 48.051 28.083 -19.356 1.00 0.00 WT1 O ATOM 7881 H1 TIP3W6090 48.375 28.630 -18.628 1.00 0.00 WT1 H ATOM 7882 H2 TIP3W6090 48.233 28.687 -20.083 1.00 0.00 WT1 H ATOM 7883 OH2 TIP3W6091 48.033 0.902 -20.673 1.00 0.00 WT1 O ATOM 7884 H1 TIP3W6091 48.929 0.997 -20.447 1.00 0.00 WT1 H ATOM 7885 H2 TIP3W6091 47.640 1.545 -20.160 1.00 0.00 WT1 H ATOM 7886 OH2 TIP3W6096 51.755 41.153 -17.219 1.00 0.00 WT1 O ATOM 7887 H1 TIP3W6096 52.123 41.785 -16.597 1.00 0.00 WT1 H ATOM 7888 H2 TIP3W6096 52.339 41.175 -17.976 1.00 0.00 WT1 H ATOM 7889 OH2 TIP3W6104 45.076 48.374 17.682 1.00 0.00 WT1 O ATOM 7890 H1 TIP3W6104 45.180 48.282 16.670 1.00 0.00 WT1 H ATOM 7891 H2 TIP3W6104 44.213 48.795 17.785 1.00 0.00 WT1 H ATOM 7892 OH2 TIP3W6110 42.905 0.354 -20.549 1.00 0.00 WT1 O ATOM 7893 H1 TIP3W6110 42.810 -0.125 -21.381 1.00 0.00 WT1 H ATOM 7894 H2 TIP3W6110 43.736 0.785 -20.754 1.00 0.00 WT1 H ATOM 7895 OH2 TIP3W6117 42.494 36.649 -19.088 1.00 0.00 WT1 O ATOM 7896 H1 TIP3W6117 42.250 36.138 -18.378 1.00 0.00 WT1 H ATOM 7897 H2 TIP3W6117 43.477 36.790 -18.976 1.00 0.00 WT1 H ATOM 7898 OH2 TIP3W6118 44.149 47.634 3.117 1.00 0.00 WT1 O ATOM 7899 H1 TIP3W6118 43.540 47.944 2.462 1.00 0.00 WT1 H ATOM 7900 H2 TIP3W6118 43.581 47.199 3.754 1.00 0.00 WT1 H ATOM 7901 OH2 TIP3W6122 50.495 -0.413 6.908 1.00 0.00 WT1 O ATOM 7902 H1 TIP3W6122 49.578 -0.769 6.680 1.00 0.00 WT1 H ATOM 7903 H2 TIP3W6122 51.117 -1.016 6.568 1.00 0.00 WT1 H ATOM 7904 OH2 TIP3W6123 51.871 45.329 19.852 1.00 0.00 WT1 O ATOM 7905 H1 TIP3W6123 52.024 44.344 19.966 1.00 0.00 WT1 H ATOM 7906 H2 TIP3W6123 50.884 45.345 19.889 1.00 0.00 WT1 H ATOM 7907 OH2 TIP3W6124 52.456 38.417 11.437 1.00 0.00 WT1 O ATOM 7908 H1 TIP3W6124 52.579 38.999 10.666 1.00 0.00 WT1 H ATOM 7909 H2 TIP3W6124 52.002 38.825 12.080 1.00 0.00 WT1 H ATOM 7910 OH2 TIP3W6136 41.259 7.721 -9.224 1.00 0.00 WT1 O ATOM 7911 H1 TIP3W6136 41.761 7.704 -10.057 1.00 0.00 WT1 H ATOM 7912 H2 TIP3W6136 40.748 6.877 -9.304 1.00 0.00 WT1 H ATOM 7913 OH2 TIP3W6138 37.083 0.829 -9.157 1.00 0.00 WT1 O ATOM 7914 H1 TIP3W6138 37.103 0.037 -8.585 1.00 0.00 WT1 H ATOM 7915 H2 TIP3W6138 36.415 0.583 -9.803 1.00 0.00 WT1 H ATOM 7916 OH2 TIP3W6157 47.553 16.812 3.287 1.00 0.00 WT1 O ATOM 7917 H1 TIP3W6157 47.866 16.818 2.294 1.00 0.00 WT1 H ATOM 7918 H2 TIP3W6157 46.619 16.401 3.306 1.00 0.00 WT1 H ATOM 7919 OH2 TIP3W6158 28.175 0.397 -17.130 1.00 0.00 WT1 O ATOM 7920 H1 TIP3W6158 27.836 -0.458 -17.350 1.00 0.00 WT1 H ATOM 7921 H2 TIP3W6158 28.793 0.227 -16.325 1.00 0.00 WT1 H ATOM 7922 OH2 TIP3W6161 49.794 44.350 14.576 1.00 0.00 WT1 O ATOM 7923 H1 TIP3W6161 49.528 44.732 13.719 1.00 0.00 WT1 H ATOM 7924 H2 TIP3W6161 50.649 43.993 14.416 1.00 0.00 WT1 H ATOM 7925 OH2 TIP3W6177 47.160 3.729 -19.947 1.00 0.00 WT1 O ATOM 7926 H1 TIP3W6177 46.556 4.285 -19.331 1.00 0.00 WT1 H ATOM 7927 H2 TIP3W6177 48.029 3.946 -19.515 1.00 0.00 WT1 H ATOM 7928 OH2 TIP3W6178 41.821 7.377 0.337 1.00 0.00 WT1 O ATOM 7929 H1 TIP3W6178 42.653 7.887 0.183 1.00 0.00 WT1 H ATOM 7930 H2 TIP3W6178 41.196 8.050 0.073 1.00 0.00 WT1 H ATOM 7931 OH2 TIP3W6183 33.599 1.720 -12.493 1.00 0.00 WT1 O ATOM 7932 H1 TIP3W6183 34.260 2.360 -12.864 1.00 0.00 WT1 H ATOM 7933 H2 TIP3W6183 33.071 1.465 -13.273 1.00 0.00 WT1 H ATOM 7934 OH2 TIP3W6184 45.732 -0.636 4.276 1.00 0.00 WT1 O ATOM 7935 H1 TIP3W6184 45.470 -0.380 5.154 1.00 0.00 WT1 H ATOM 7936 H2 TIP3W6184 45.879 0.292 3.919 1.00 0.00 WT1 H ATOM 7937 OH2 TIP3W6187 38.318 0.207 8.070 1.00 0.00 WT1 O ATOM 7938 H1 TIP3W6187 39.298 0.326 7.935 1.00 0.00 WT1 H ATOM 7939 H2 TIP3W6187 38.069 1.133 8.190 1.00 0.00 WT1 H ATOM 7940 OH2 TIP3W6188 41.237 3.374 13.957 1.00 0.00 WT1 O ATOM 7941 H1 TIP3W6188 41.853 2.895 14.557 1.00 0.00 WT1 H ATOM 7942 H2 TIP3W6188 41.821 3.996 13.550 1.00 0.00 WT1 H ATOM 7943 OH2 TIP3W6193 49.200 3.558 17.577 1.00 0.00 WT1 O ATOM 7944 H1 TIP3W6193 49.210 4.307 16.914 1.00 0.00 WT1 H ATOM 7945 H2 TIP3W6193 48.825 4.022 18.297 1.00 0.00 WT1 H ATOM 7946 OH2 TIP3W6195 34.983 9.571 -18.293 1.00 0.00 WT1 O ATOM 7947 H1 TIP3W6195 34.755 8.674 -17.887 1.00 0.00 WT1 H ATOM 7948 H2 TIP3W6195 34.260 9.743 -18.967 1.00 0.00 WT1 H ATOM 7949 OH2 TIP3W6198 43.372 12.963 -15.068 1.00 0.00 WT1 O ATOM 7950 H1 TIP3W6198 43.210 12.167 -14.614 1.00 0.00 WT1 H ATOM 7951 H2 TIP3W6198 42.651 13.092 -15.708 1.00 0.00 WT1 H ATOM 7952 OH2 TIP3W6200 42.482 0.159 -7.898 1.00 0.00 WT1 O ATOM 7953 H1 TIP3W6200 42.273 1.071 -7.841 1.00 0.00 WT1 H ATOM 7954 H2 TIP3W6200 41.525 -0.194 -7.960 1.00 0.00 WT1 H ATOM 7955 OH2 TIP3W6208 46.274 -0.671 21.361 1.00 0.00 WT1 O ATOM 7956 H1 TIP3W6208 46.967 -0.860 20.684 1.00 0.00 WT1 H ATOM 7957 H2 TIP3W6208 45.619 -1.291 21.136 1.00 0.00 WT1 H ATOM 7958 OH2 TIP3W6218 46.552 6.017 -9.367 1.00 0.00 WT1 O ATOM 7959 H1 TIP3W6218 47.081 6.687 -9.936 1.00 0.00 WT1 H ATOM 7960 H2 TIP3W6218 46.702 6.246 -8.400 1.00 0.00 WT1 H ATOM 7961 OH2 TIP3W6219 42.752 4.552 -18.005 1.00 0.00 WT1 O ATOM 7962 H1 TIP3W6219 42.820 3.765 -17.414 1.00 0.00 WT1 H ATOM 7963 H2 TIP3W6219 43.694 4.548 -18.300 1.00 0.00 WT1 H ATOM 7964 OH2 TIP3W6224 48.444 7.427 14.316 1.00 0.00 WT1 O ATOM 7965 H1 TIP3W6224 48.681 8.374 14.532 1.00 0.00 WT1 H ATOM 7966 H2 TIP3W6224 48.851 6.970 15.042 1.00 0.00 WT1 H ATOM 7967 OH2 TIP3W6225 49.005 15.793 -7.453 1.00 0.00 WT1 O ATOM 7968 H1 TIP3W6225 49.434 15.031 -7.944 1.00 0.00 WT1 H ATOM 7969 H2 TIP3W6225 48.794 16.330 -8.156 1.00 0.00 WT1 H ATOM 7970 OH2 TIP3W6227 44.148 16.579 13.738 1.00 0.00 WT1 O ATOM 7971 H1 TIP3W6227 43.728 17.504 13.789 1.00 0.00 WT1 H ATOM 7972 H2 TIP3W6227 44.835 16.692 13.111 1.00 0.00 WT1 H ATOM 7973 OH2 TIP3W6228 36.238 5.473 19.476 1.00 0.00 WT1 O ATOM 7974 H1 TIP3W6228 36.922 5.384 20.177 1.00 0.00 WT1 H ATOM 7975 H2 TIP3W6228 36.733 5.858 18.736 1.00 0.00 WT1 H ATOM 7976 OH2 TIP3W6229 47.962 4.589 5.367 1.00 0.00 WT1 O ATOM 7977 H1 TIP3W6229 48.451 4.119 4.667 1.00 0.00 WT1 H ATOM 7978 H2 TIP3W6229 47.797 3.902 6.078 1.00 0.00 WT1 H ATOM 7979 OH2 TIP3W6230 45.744 25.996 13.761 1.00 0.00 WT1 O ATOM 7980 H1 TIP3W6230 46.664 25.822 13.577 1.00 0.00 WT1 H ATOM 7981 H2 TIP3W6230 45.349 26.216 12.916 1.00 0.00 WT1 H ATOM 7982 OH2 TIP3W6231 37.704 13.878 18.129 1.00 0.00 WT1 O ATOM 7983 H1 TIP3W6231 38.451 13.737 18.729 1.00 0.00 WT1 H ATOM 7984 H2 TIP3W6231 37.166 13.089 18.268 1.00 0.00 WT1 H ATOM 7985 OH2 TIP3W6240 7.390 -0.481 -10.006 1.00 0.00 WT1 O ATOM 7986 H1 TIP3W6240 8.000 -0.930 -10.622 1.00 0.00 WT1 H ATOM 7987 H2 TIP3W6240 6.506 -0.874 -10.153 1.00 0.00 WT1 H ATOM 7988 OH2 TIP3W6242 47.590 7.984 -7.173 1.00 0.00 WT1 O ATOM 7989 H1 TIP3W6242 47.310 8.402 -6.379 1.00 0.00 WT1 H ATOM 7990 H2 TIP3W6242 48.358 8.492 -7.397 1.00 0.00 WT1 H ATOM 7991 OH2 TIP3W6243 43.424 8.512 -5.707 1.00 0.00 WT1 O ATOM 7992 H1 TIP3W6243 42.643 7.872 -5.508 1.00 0.00 WT1 H ATOM 7993 H2 TIP3W6243 44.102 7.963 -5.304 1.00 0.00 WT1 H ATOM 7994 OH2 TIP3W6245 51.911 20.000 -8.834 1.00 0.00 WT1 O ATOM 7995 H1 TIP3W6245 52.177 20.913 -8.788 1.00 0.00 WT1 H ATOM 7996 H2 TIP3W6245 51.653 19.841 -9.749 1.00 0.00 WT1 H ATOM 7997 OH2 TIP3W6246 44.274 21.045 -14.351 1.00 0.00 WT1 O ATOM 7998 H1 TIP3W6246 43.450 20.887 -14.816 1.00 0.00 WT1 H ATOM 7999 H2 TIP3W6246 44.589 20.168 -14.019 1.00 0.00 WT1 H ATOM 8000 OH2 TIP3W6249 49.776 18.487 4.579 1.00 0.00 WT1 O ATOM 8001 H1 TIP3W6249 49.711 17.859 3.830 1.00 0.00 WT1 H ATOM 8002 H2 TIP3W6249 48.890 18.525 4.879 1.00 0.00 WT1 H ATOM 8003 OH2 TIP3W6250 51.833 9.499 13.848 1.00 0.00 WT1 O ATOM 8004 H1 TIP3W6250 51.611 9.676 12.896 1.00 0.00 WT1 H ATOM 8005 H2 TIP3W6250 52.552 8.895 13.837 1.00 0.00 WT1 H ATOM 8006 OH2 TIP3W6252 45.257 8.070 17.937 1.00 0.00 WT1 O ATOM 8007 H1 TIP3W6252 45.092 7.550 17.075 1.00 0.00 WT1 H ATOM 8008 H2 TIP3W6252 45.264 7.372 18.654 1.00 0.00 WT1 H ATOM 8009 OH2 TIP3W6256 43.020 7.380 -11.270 1.00 0.00 WT1 O ATOM 8010 H1 TIP3W6256 43.595 8.135 -11.216 1.00 0.00 WT1 H ATOM 8011 H2 TIP3W6256 43.559 6.624 -11.371 1.00 0.00 WT1 H ATOM 8012 OH2 TIP3W6258 38.827 13.266 -10.471 1.00 0.00 WT1 O ATOM 8013 H1 TIP3W6258 38.327 12.780 -9.847 1.00 0.00 WT1 H ATOM 8014 H2 TIP3W6258 39.698 12.792 -10.569 1.00 0.00 WT1 H ATOM 8015 OH2 TIP3W6262 44.989 30.803 8.276 1.00 0.00 WT1 O ATOM 8016 H1 TIP3W6262 44.882 30.474 9.208 1.00 0.00 WT1 H ATOM 8017 H2 TIP3W6262 44.634 31.748 8.422 1.00 0.00 WT1 H ATOM 8018 OH2 TIP3W6263 43.702 21.193 -10.359 1.00 0.00 WT1 O ATOM 8019 H1 TIP3W6263 44.449 21.114 -11.024 1.00 0.00 WT1 H ATOM 8020 H2 TIP3W6263 43.201 20.394 -10.629 1.00 0.00 WT1 H ATOM 8021 OH2 TIP3W6265 51.493 1.512 10.970 1.00 0.00 WT1 O ATOM 8022 H1 TIP3W6265 51.934 0.979 10.319 1.00 0.00 WT1 H ATOM 8023 H2 TIP3W6265 51.481 2.372 10.477 1.00 0.00 WT1 H ATOM 8024 OH2 TIP3W6267 49.048 6.747 11.585 1.00 0.00 WT1 O ATOM 8025 H1 TIP3W6267 48.519 5.927 11.531 1.00 0.00 WT1 H ATOM 8026 H2 TIP3W6267 48.859 7.158 12.420 1.00 0.00 WT1 H ATOM 8027 OH2 TIP3W6269 44.737 17.767 -7.316 1.00 0.00 WT1 O ATOM 8028 H1 TIP3W6269 45.357 18.514 -7.352 1.00 0.00 WT1 H ATOM 8029 H2 TIP3W6269 44.714 17.580 -6.358 1.00 0.00 WT1 H ATOM 8030 OH2 TIP3W6270 47.914 13.828 5.815 1.00 0.00 WT1 O ATOM 8031 H1 TIP3W6270 47.257 13.644 5.109 1.00 0.00 WT1 H ATOM 8032 H2 TIP3W6270 48.179 12.929 6.195 1.00 0.00 WT1 H ATOM 8033 OH2 TIP3W6285 47.732 23.032 -9.576 1.00 0.00 WT1 O ATOM 8034 H1 TIP3W6285 48.652 23.018 -9.439 1.00 0.00 WT1 H ATOM 8035 H2 TIP3W6285 47.589 22.260 -10.166 1.00 0.00 WT1 H ATOM 8036 OH2 TIP3W6286 50.395 7.649 -0.431 1.00 0.00 WT1 O ATOM 8037 H1 TIP3W6286 49.578 7.871 -0.849 1.00 0.00 WT1 H ATOM 8038 H2 TIP3W6286 51.170 7.967 -0.991 1.00 0.00 WT1 H ATOM 8039 OH2 TIP3W6289 48.896 20.380 7.003 1.00 0.00 WT1 O ATOM 8040 H1 TIP3W6289 48.541 20.783 6.172 1.00 0.00 WT1 H ATOM 8041 H2 TIP3W6289 48.276 19.657 7.196 1.00 0.00 WT1 H ATOM 8042 OH2 TIP3W6290 47.456 17.421 5.956 1.00 0.00 WT1 O ATOM 8043 H1 TIP3W6290 47.774 16.830 5.318 1.00 0.00 WT1 H ATOM 8044 H2 TIP3W6290 48.187 17.389 6.636 1.00 0.00 WT1 H ATOM 8045 OH2 TIP3W6291 42.543 5.888 20.917 1.00 0.00 WT1 O ATOM 8046 H1 TIP3W6291 42.032 6.680 20.863 1.00 0.00 WT1 H ATOM 8047 H2 TIP3W6291 43.384 6.035 20.464 1.00 0.00 WT1 H ATOM 8048 OH2 TIP3W6297 48.018 19.829 -13.858 1.00 0.00 WT1 O ATOM 8049 H1 TIP3W6297 48.068 20.574 -13.308 1.00 0.00 WT1 H ATOM 8050 H2 TIP3W6297 48.796 20.011 -14.442 1.00 0.00 WT1 H ATOM 8051 OH2 TIP3W6302 39.565 36.185 -2.933 1.00 0.00 WT1 O ATOM 8052 H1 TIP3W6302 39.947 35.284 -2.919 1.00 0.00 WT1 H ATOM 8053 H2 TIP3W6302 38.656 36.057 -2.657 1.00 0.00 WT1 H ATOM 8054 OH2 TIP3W6303 50.017 11.747 -17.844 1.00 0.00 WT1 O ATOM 8055 H1 TIP3W6303 50.779 12.318 -18.249 1.00 0.00 WT1 H ATOM 8056 H2 TIP3W6303 49.441 11.562 -18.583 1.00 0.00 WT1 H ATOM 8057 OH2 TIP3W6304 52.500 13.897 1.340 1.00 0.00 WT1 O ATOM 8058 H1 TIP3W6304 51.908 13.179 0.981 1.00 0.00 WT1 H ATOM 8059 H2 TIP3W6304 51.965 14.459 1.888 1.00 0.00 WT1 H ATOM 8060 OH2 TIP3W6306 50.954 38.184 7.770 1.00 0.00 WT1 O ATOM 8061 H1 TIP3W6306 50.475 38.931 8.062 1.00 0.00 WT1 H ATOM 8062 H2 TIP3W6306 51.816 38.394 8.049 1.00 0.00 WT1 H ATOM 8063 OH2 TIP3W6308 50.067 13.597 9.607 1.00 0.00 WT1 O ATOM 8064 H1 TIP3W6308 49.236 13.758 9.185 1.00 0.00 WT1 H ATOM 8065 H2 TIP3W6308 50.626 14.288 9.198 1.00 0.00 WT1 H ATOM 8066 OH2 TIP3W6311 38.427 3.354 -9.475 1.00 0.00 WT1 O ATOM 8067 H1 TIP3W6311 37.848 2.619 -9.459 1.00 0.00 WT1 H ATOM 8068 H2 TIP3W6311 39.276 2.971 -9.206 1.00 0.00 WT1 H ATOM 8069 OH2 TIP3W6313 46.083 27.094 10.905 1.00 0.00 WT1 O ATOM 8070 H1 TIP3W6313 46.593 27.394 10.148 1.00 0.00 WT1 H ATOM 8071 H2 TIP3W6313 45.904 27.953 11.386 1.00 0.00 WT1 H ATOM 8072 OH2 TIP3W6314 37.138 30.557 18.918 1.00 0.00 WT1 O ATOM 8073 H1 TIP3W6314 37.452 30.722 17.994 1.00 0.00 WT1 H ATOM 8074 H2 TIP3W6314 37.996 30.420 19.387 1.00 0.00 WT1 H ATOM 8075 OH2 TIP3W6315 38.208 6.137 17.471 1.00 0.00 WT1 O ATOM 8076 H1 TIP3W6315 38.356 6.783 16.711 1.00 0.00 WT1 H ATOM 8077 H2 TIP3W6315 38.602 5.298 17.182 1.00 0.00 WT1 H ATOM 8078 OH2 TIP3W6319 44.750 10.986 -20.991 1.00 0.00 WT1 O ATOM 8079 H1 TIP3W6319 44.087 10.785 -20.342 1.00 0.00 WT1 H ATOM 8080 H2 TIP3W6319 44.588 11.946 -21.119 1.00 0.00 WT1 H ATOM 8081 OH2 TIP3W6321 41.069 12.428 -8.553 1.00 0.00 WT1 O ATOM 8082 H1 TIP3W6321 41.564 11.648 -8.494 1.00 0.00 WT1 H ATOM 8083 H2 TIP3W6321 41.213 12.847 -7.700 1.00 0.00 WT1 H ATOM 8084 OH2 TIP3W6323 44.208 29.689 -16.762 1.00 0.00 WT1 O ATOM 8085 H1 TIP3W6323 44.290 28.756 -17.050 1.00 0.00 WT1 H ATOM 8086 H2 TIP3W6323 44.611 29.798 -15.897 1.00 0.00 WT1 H ATOM 8087 OH2 TIP3W6324 43.886 39.670 -19.321 1.00 0.00 WT1 O ATOM 8088 H1 TIP3W6324 44.614 39.198 -18.904 1.00 0.00 WT1 H ATOM 8089 H2 TIP3W6324 44.153 39.732 -20.231 1.00 0.00 WT1 H ATOM 8090 OH2 TIP3W6326 48.656 30.882 -9.855 1.00 0.00 WT1 O ATOM 8091 H1 TIP3W6326 47.718 31.168 -9.806 1.00 0.00 WT1 H ATOM 8092 H2 TIP3W6326 48.587 29.915 -9.919 1.00 0.00 WT1 H ATOM 8093 OH2 TIP3W6327 46.087 14.667 0.826 1.00 0.00 WT1 O ATOM 8094 H1 TIP3W6327 45.685 15.582 0.639 1.00 0.00 WT1 H ATOM 8095 H2 TIP3W6327 47.073 14.828 0.742 1.00 0.00 WT1 H ATOM 8096 OH2 TIP3W6328 51.688 18.814 -13.612 1.00 0.00 WT1 O ATOM 8097 H1 TIP3W6328 51.190 19.037 -12.781 1.00 0.00 WT1 H ATOM 8098 H2 TIP3W6328 51.810 17.861 -13.543 1.00 0.00 WT1 H ATOM 8099 OH2 TIP3W6329 51.012 12.983 -4.121 1.00 0.00 WT1 O ATOM 8100 H1 TIP3W6329 51.762 13.222 -3.572 1.00 0.00 WT1 H ATOM 8101 H2 TIP3W6329 50.347 13.703 -3.889 1.00 0.00 WT1 H ATOM 8102 OH2 TIP3W6330 45.720 21.424 7.478 1.00 0.00 WT1 O ATOM 8103 H1 TIP3W6330 46.495 21.764 7.810 1.00 0.00 WT1 H ATOM 8104 H2 TIP3W6330 45.589 20.723 8.117 1.00 0.00 WT1 H ATOM 8105 OH2 TIP3W6331 46.314 13.486 3.287 1.00 0.00 WT1 O ATOM 8106 H1 TIP3W6331 47.110 13.107 2.931 1.00 0.00 WT1 H ATOM 8107 H2 TIP3W6331 45.761 13.772 2.544 1.00 0.00 WT1 H ATOM 8108 OH2 TIP3W6333 38.386 14.388 15.421 1.00 0.00 WT1 O ATOM 8109 H1 TIP3W6333 38.027 14.152 16.243 1.00 0.00 WT1 H ATOM 8110 H2 TIP3W6333 39.327 14.117 15.429 1.00 0.00 WT1 H ATOM 8111 OH2 TIP3W6334 47.464 -0.166 8.401 1.00 0.00 WT1 O ATOM 8112 H1 TIP3W6334 47.375 -0.731 7.625 1.00 0.00 WT1 H ATOM 8113 H2 TIP3W6334 46.806 -0.492 9.052 1.00 0.00 WT1 H ATOM 8114 OH2 TIP3W6339 52.073 19.863 19.783 1.00 0.00 WT1 O ATOM 8115 H1 TIP3W6339 51.901 19.454 20.666 1.00 0.00 WT1 H ATOM 8116 H2 TIP3W6339 52.061 19.050 19.192 1.00 0.00 WT1 H ATOM 8117 OH2 TIP3W6341 42.225 38.129 -14.187 1.00 0.00 WT1 O ATOM 8118 H1 TIP3W6341 41.572 38.525 -13.621 1.00 0.00 WT1 H ATOM 8119 H2 TIP3W6341 42.180 38.767 -14.907 1.00 0.00 WT1 H ATOM 8120 OH2 TIP3W6345 43.710 12.975 -18.135 1.00 0.00 WT1 O ATOM 8121 H1 TIP3W6345 44.108 13.877 -17.970 1.00 0.00 WT1 H ATOM 8122 H2 TIP3W6345 44.388 12.471 -17.691 1.00 0.00 WT1 H ATOM 8123 OH2 TIP3W6351 44.969 27.248 1.094 1.00 0.00 WT1 O ATOM 8124 H1 TIP3W6351 44.402 27.448 0.324 1.00 0.00 WT1 H ATOM 8125 H2 TIP3W6351 45.234 28.141 1.297 1.00 0.00 WT1 H ATOM 8126 OH2 TIP3W6356 37.740 24.529 13.275 1.00 0.00 WT1 O ATOM 8127 H1 TIP3W6356 37.059 23.902 13.456 1.00 0.00 WT1 H ATOM 8128 H2 TIP3W6356 37.758 24.604 12.337 1.00 0.00 WT1 H ATOM 8129 OH2 TIP3W6357 48.630 13.546 -15.944 1.00 0.00 WT1 O ATOM 8130 H1 TIP3W6357 49.115 13.096 -16.671 1.00 0.00 WT1 H ATOM 8131 H2 TIP3W6357 49.190 13.511 -15.186 1.00 0.00 WT1 H ATOM 8132 OH2 TIP3W6364 50.774 18.891 -6.166 1.00 0.00 WT1 O ATOM 8133 H1 TIP3W6364 51.693 18.669 -5.902 1.00 0.00 WT1 H ATOM 8134 H2 TIP3W6364 50.942 19.220 -7.084 1.00 0.00 WT1 H ATOM 8135 OH2 TIP3W6366 44.710 26.877 -3.042 1.00 0.00 WT1 O ATOM 8136 H1 TIP3W6366 44.179 26.965 -3.826 1.00 0.00 WT1 H ATOM 8137 H2 TIP3W6366 44.273 27.221 -2.317 1.00 0.00 WT1 H ATOM 8138 OH2 TIP3W6367 51.567 38.637 3.767 1.00 0.00 WT1 O ATOM 8139 H1 TIP3W6367 52.134 39.428 3.898 1.00 0.00 WT1 H ATOM 8140 H2 TIP3W6367 52.194 38.095 3.308 1.00 0.00 WT1 H ATOM 8141 OH2 TIP3W6372 49.092 23.558 7.533 1.00 0.00 WT1 O ATOM 8142 H1 TIP3W6372 49.052 24.506 7.897 1.00 0.00 WT1 H ATOM 8143 H2 TIP3W6372 49.941 23.496 7.085 1.00 0.00 WT1 H ATOM 8144 OH2 TIP3W6373 41.791 27.939 7.077 1.00 0.00 WT1 O ATOM 8145 H1 TIP3W6373 41.212 28.390 6.429 1.00 0.00 WT1 H ATOM 8146 H2 TIP3W6373 42.644 27.828 6.559 1.00 0.00 WT1 H ATOM 8147 OH2 TIP3W6375 46.919 29.145 15.951 1.00 0.00 WT1 O ATOM 8148 H1 TIP3W6375 46.742 30.051 16.086 1.00 0.00 WT1 H ATOM 8149 H2 TIP3W6375 46.129 28.778 15.488 1.00 0.00 WT1 H ATOM 8150 OH2 TIP3W6381 39.698 12.771 -18.922 1.00 0.00 WT1 O ATOM 8151 H1 TIP3W6381 40.132 11.987 -19.208 1.00 0.00 WT1 H ATOM 8152 H2 TIP3W6381 39.993 13.453 -19.542 1.00 0.00 WT1 H ATOM 8153 OH2 TIP3W6385 49.581 34.881 -4.388 1.00 0.00 WT1 O ATOM 8154 H1 TIP3W6385 49.206 35.774 -4.659 1.00 0.00 WT1 H ATOM 8155 H2 TIP3W6385 48.822 34.458 -3.938 1.00 0.00 WT1 H ATOM 8156 OH2 TIP3W6388 50.672 22.849 -10.413 1.00 0.00 WT1 O ATOM 8157 H1 TIP3W6388 51.594 22.786 -10.769 1.00 0.00 WT1 H ATOM 8158 H2 TIP3W6388 50.213 23.258 -11.169 1.00 0.00 WT1 H ATOM 8159 OH2 TIP3W6390 47.928 19.942 -10.355 1.00 0.00 WT1 O ATOM 8160 H1 TIP3W6390 47.033 19.931 -10.657 1.00 0.00 WT1 H ATOM 8161 H2 TIP3W6390 47.892 19.924 -9.340 1.00 0.00 WT1 H ATOM 8162 OH2 TIP3W6391 47.155 29.087 7.447 1.00 0.00 WT1 O ATOM 8163 H1 TIP3W6391 47.122 28.606 6.593 1.00 0.00 WT1 H ATOM 8164 H2 TIP3W6391 46.265 29.541 7.453 1.00 0.00 WT1 H ATOM 8165 OH2 TIP3W6393 49.950 29.769 2.850 1.00 0.00 WT1 O ATOM 8166 H1 TIP3W6393 50.536 30.325 2.313 1.00 0.00 WT1 H ATOM 8167 H2 TIP3W6393 50.205 30.036 3.718 1.00 0.00 WT1 H ATOM 8168 OH2 TIP3W6395 49.170 28.647 9.206 1.00 0.00 WT1 O ATOM 8169 H1 TIP3W6395 48.529 29.115 8.651 1.00 0.00 WT1 H ATOM 8170 H2 TIP3W6395 49.118 29.193 10.010 1.00 0.00 WT1 H ATOM 8171 OH2 TIP3W6396 47.857 29.721 11.485 1.00 0.00 WT1 O ATOM 8172 H1 TIP3W6396 46.911 29.954 11.556 1.00 0.00 WT1 H ATOM 8173 H2 TIP3W6396 48.287 30.504 11.758 1.00 0.00 WT1 H ATOM 8174 OH2 TIP3W6398 46.214 35.308 16.042 1.00 0.00 WT1 O ATOM 8175 H1 TIP3W6398 45.564 36.041 16.246 1.00 0.00 WT1 H ATOM 8176 H2 TIP3W6398 47.012 35.575 16.493 1.00 0.00 WT1 H ATOM 8177 OH2 TIP3W6399 48.971 44.158 22.472 1.00 0.00 WT1 O ATOM 8178 H1 TIP3W6399 48.328 43.494 22.107 1.00 0.00 WT1 H ATOM 8179 H2 TIP3W6399 49.144 44.730 21.747 1.00 0.00 WT1 H ATOM 8180 OH2 TIP3W6403 51.516 28.543 -17.286 1.00 0.00 WT1 O ATOM 8181 H1 TIP3W6403 51.095 29.015 -18.023 1.00 0.00 WT1 H ATOM 8182 H2 TIP3W6403 51.954 27.789 -17.717 1.00 0.00 WT1 H ATOM 8183 OH2 TIP3W6404 38.937 38.047 -20.765 1.00 0.00 WT1 O ATOM 8184 H1 TIP3W6404 39.844 38.246 -20.393 1.00 0.00 WT1 H ATOM 8185 H2 TIP3W6404 38.966 38.428 -21.666 1.00 0.00 WT1 H ATOM 8186 OH2 TIP3W6407 46.527 33.281 -16.505 1.00 0.00 WT1 O ATOM 8187 H1 TIP3W6407 47.311 33.788 -16.057 1.00 0.00 WT1 H ATOM 8188 H2 TIP3W6407 46.444 32.459 -16.052 1.00 0.00 WT1 H ATOM 8189 OH2 TIP3W6408 45.482 34.669 -10.530 1.00 0.00 WT1 O ATOM 8190 H1 TIP3W6408 44.937 33.861 -10.724 1.00 0.00 WT1 H ATOM 8191 H2 TIP3W6408 44.850 35.210 -10.031 1.00 0.00 WT1 H ATOM 8192 OH2 TIP3W6409 44.745 37.154 -14.629 1.00 0.00 WT1 O ATOM 8193 H1 TIP3W6409 43.888 37.414 -14.203 1.00 0.00 WT1 H ATOM 8194 H2 TIP3W6409 44.505 36.601 -15.376 1.00 0.00 WT1 H ATOM 8195 OH2 TIP3W6413 50.765 39.280 -2.277 1.00 0.00 WT1 O ATOM 8196 H1 TIP3W6413 50.173 38.985 -1.615 1.00 0.00 WT1 H ATOM 8197 H2 TIP3W6413 51.602 39.476 -1.802 1.00 0.00 WT1 H ATOM 8198 OH2 TIP3W6414 40.296 40.924 8.694 1.00 0.00 WT1 O ATOM 8199 H1 TIP3W6414 41.235 40.955 8.958 1.00 0.00 WT1 H ATOM 8200 H2 TIP3W6414 40.334 40.409 7.866 1.00 0.00 WT1 H ATOM 8201 OH2 TIP3W6415 51.610 34.205 5.631 1.00 0.00 WT1 O ATOM 8202 H1 TIP3W6415 51.718 33.987 4.664 1.00 0.00 WT1 H ATOM 8203 H2 TIP3W6415 52.255 33.680 6.062 1.00 0.00 WT1 H ATOM 8204 OH2 TIP3W6416 52.176 39.707 15.665 1.00 0.00 WT1 O ATOM 8205 H1 TIP3W6416 51.831 40.391 16.248 1.00 0.00 WT1 H ATOM 8206 H2 TIP3W6416 51.613 38.941 15.999 1.00 0.00 WT1 H ATOM 8207 OH2 TIP3W6425 39.016 32.161 -20.248 1.00 0.00 WT1 O ATOM 8208 H1 TIP3W6425 39.311 31.668 -19.444 1.00 0.00 WT1 H ATOM 8209 H2 TIP3W6425 38.107 32.395 -20.000 1.00 0.00 WT1 H ATOM 8210 OH2 TIP3W6428 45.349 28.203 -19.123 1.00 0.00 WT1 O ATOM 8211 H1 TIP3W6428 45.219 27.374 -18.636 1.00 0.00 WT1 H ATOM 8212 H2 TIP3W6428 46.304 28.241 -19.066 1.00 0.00 WT1 H ATOM 8213 OH2 TIP3W6430 50.857 44.194 -7.356 1.00 0.00 WT1 O ATOM 8214 H1 TIP3W6430 50.853 44.984 -7.944 1.00 0.00 WT1 H ATOM 8215 H2 TIP3W6430 50.376 44.580 -6.555 1.00 0.00 WT1 H ATOM 8216 OH2 TIP3W6432 51.176 48.791 14.275 1.00 0.00 WT1 O ATOM 8217 H1 TIP3W6432 51.709 48.148 13.827 1.00 0.00 WT1 H ATOM 8218 H2 TIP3W6432 51.735 49.025 14.986 1.00 0.00 WT1 H ATOM 8219 OH2 TIP3W6436 38.836 38.751 -3.767 1.00 0.00 WT1 O ATOM 8220 H1 TIP3W6436 39.435 38.092 -3.381 1.00 0.00 WT1 H ATOM 8221 H2 TIP3W6436 38.308 38.373 -4.504 1.00 0.00 WT1 H ATOM 8222 OH2 TIP3W6439 40.420 30.918 10.629 1.00 0.00 WT1 O ATOM 8223 H1 TIP3W6439 40.678 30.707 9.718 1.00 0.00 WT1 H ATOM 8224 H2 TIP3W6439 40.361 30.044 11.079 1.00 0.00 WT1 H ATOM 8225 OH2 TIP3W6440 47.501 35.505 20.437 1.00 0.00 WT1 O ATOM 8226 H1 TIP3W6440 47.491 35.003 21.321 1.00 0.00 WT1 H ATOM 8227 H2 TIP3W6440 46.607 35.759 20.325 1.00 0.00 WT1 H ATOM 8228 OH2 TIP3W6444 45.893 43.414 -21.369 1.00 0.00 WT1 O ATOM 8229 H1 TIP3W6444 45.714 42.599 -20.930 1.00 0.00 WT1 H ATOM 8230 H2 TIP3W6444 45.384 44.010 -20.882 1.00 0.00 WT1 H ATOM 8231 OH2 TIP3W6445 36.500 41.356 18.545 1.00 0.00 WT1 O ATOM 8232 H1 TIP3W6445 36.895 42.251 18.517 1.00 0.00 WT1 H ATOM 8233 H2 TIP3W6445 35.636 41.428 18.093 1.00 0.00 WT1 H ATOM 8234 OH2 TIP3W6448 36.874 41.091 -19.635 1.00 0.00 WT1 O ATOM 8235 H1 TIP3W6448 37.589 40.933 -20.271 1.00 0.00 WT1 H ATOM 8236 H2 TIP3W6448 36.313 41.739 -20.197 1.00 0.00 WT1 H ATOM 8237 OH2 TIP3W6449 50.658 43.803 -2.759 1.00 0.00 WT1 O ATOM 8238 H1 TIP3W6449 50.619 43.248 -1.963 1.00 0.00 WT1 H ATOM 8239 H2 TIP3W6449 51.592 44.082 -2.823 1.00 0.00 WT1 H ATOM 8240 OH2 TIP3W6451 39.764 50.264 -20.520 1.00 0.00 WT1 O ATOM 8241 H1 TIP3W6451 40.291 50.760 -19.875 1.00 0.00 WT1 H ATOM 8242 H2 TIP3W6451 40.313 49.483 -20.615 1.00 0.00 WT1 H ATOM 8243 OH2 TIP3W6452 46.232 40.669 -13.974 1.00 0.00 WT1 O ATOM 8244 H1 TIP3W6452 46.138 40.970 -14.935 1.00 0.00 WT1 H ATOM 8245 H2 TIP3W6452 46.367 41.524 -13.493 1.00 0.00 WT1 H ATOM 8246 OH2 TIP3W6457 50.024 44.464 1.174 1.00 0.00 WT1 O ATOM 8247 H1 TIP3W6457 49.190 44.876 0.861 1.00 0.00 WT1 H ATOM 8248 H2 TIP3W6457 50.013 43.654 0.728 1.00 0.00 WT1 H ATOM 8249 OH2 TIP3W6458 47.900 46.351 13.935 1.00 0.00 WT1 O ATOM 8250 H1 TIP3W6458 47.281 46.388 14.674 1.00 0.00 WT1 H ATOM 8251 H2 TIP3W6458 47.962 47.323 13.683 1.00 0.00 WT1 H ATOM 8252 OH2 TIP3W6459 47.867 39.283 17.299 1.00 0.00 WT1 O ATOM 8253 H1 TIP3W6459 47.957 39.186 18.250 1.00 0.00 WT1 H ATOM 8254 H2 TIP3W6459 47.144 38.706 17.061 1.00 0.00 WT1 H ATOM 8255 OH2 TIP3W6460 41.596 46.299 21.321 1.00 0.00 WT1 O ATOM 8256 H1 TIP3W6460 41.682 46.596 22.244 1.00 0.00 WT1 H ATOM 8257 H2 TIP3W6460 42.497 46.408 21.024 1.00 0.00 WT1 H ATOM 8258 OH2 TIP3W6469 50.762 33.550 -16.031 1.00 0.00 WT1 O ATOM 8259 H1 TIP3W6469 51.412 33.391 -16.770 1.00 0.00 WT1 H ATOM 8260 H2 TIP3W6469 51.295 33.320 -15.261 1.00 0.00 WT1 H ATOM 8261 OH2 TIP3W6474 41.783 49.536 -12.446 1.00 0.00 WT1 O ATOM 8262 H1 TIP3W6474 41.879 48.552 -12.627 1.00 0.00 WT1 H ATOM 8263 H2 TIP3W6474 41.191 49.869 -13.180 1.00 0.00 WT1 H ATOM 8264 OH2 TIP3W6477 38.815 45.107 15.629 1.00 0.00 WT1 O ATOM 8265 H1 TIP3W6477 39.672 44.815 15.872 1.00 0.00 WT1 H ATOM 8266 H2 TIP3W6477 38.965 45.451 14.751 1.00 0.00 WT1 H ATOM 8267 OH2 TIP3W6479 6.626 49.858 10.886 1.00 0.00 WT1 O ATOM 8268 H1 TIP3W6479 7.321 50.477 10.645 1.00 0.00 WT1 H ATOM 8269 H2 TIP3W6479 6.893 48.971 10.511 1.00 0.00 WT1 H ATOM 8270 OH2 TIP3W6483 42.607 33.959 12.003 1.00 0.00 WT1 O ATOM 8271 H1 TIP3W6483 42.471 34.909 12.331 1.00 0.00 WT1 H ATOM 8272 H2 TIP3W6483 43.126 33.549 12.712 1.00 0.00 WT1 H ATOM 8273 OH2 TIP3W6491 43.517 40.670 -6.329 1.00 0.00 WT1 O ATOM 8274 H1 TIP3W6491 43.414 41.571 -6.572 1.00 0.00 WT1 H ATOM 8275 H2 TIP3W6491 44.007 40.275 -7.077 1.00 0.00 WT1 H ATOM 8276 OH2 TIP3W6493 37.676 50.683 -14.391 1.00 0.00 WT1 O ATOM 8277 H1 TIP3W6493 37.576 50.804 -13.431 1.00 0.00 WT1 H ATOM 8278 H2 TIP3W6493 36.783 50.562 -14.741 1.00 0.00 WT1 H ATOM 8279 OH2 TIP3W6497 50.543 48.884 -2.267 1.00 0.00 WT1 O ATOM 8280 H1 TIP3W6497 49.602 48.955 -2.237 1.00 0.00 WT1 H ATOM 8281 H2 TIP3W6497 50.840 49.302 -1.426 1.00 0.00 WT1 H ATOM 8282 OH2 TIP3W6502 42.339 36.794 12.192 1.00 0.00 WT1 O ATOM 8283 H1 TIP3W6502 43.254 36.967 12.583 1.00 0.00 WT1 H ATOM 8284 H2 TIP3W6502 42.295 37.376 11.423 1.00 0.00 WT1 H ATOM 8285 OH2 TIP3W6505 40.535 38.570 17.529 1.00 0.00 WT1 O ATOM 8286 H1 TIP3W6505 41.321 38.462 18.172 1.00 0.00 WT1 H ATOM 8287 H2 TIP3W6505 39.872 38.860 18.175 1.00 0.00 WT1 H ATOM 8288 OH2 TIP3W6515 48.891 50.023 -8.689 1.00 0.00 WT1 O ATOM 8289 H1 TIP3W6515 48.081 50.415 -8.918 1.00 0.00 WT1 H ATOM 8290 H2 TIP3W6515 49.535 50.436 -9.333 1.00 0.00 WT1 H ATOM 8291 OH2 TIP3W6518 46.718 32.971 13.906 1.00 0.00 WT1 O ATOM 8292 H1 TIP3W6518 47.574 33.527 13.856 1.00 0.00 WT1 H ATOM 8293 H2 TIP3W6518 46.587 32.886 14.883 1.00 0.00 WT1 H ATOM 8294 OH2 TIP3W6519 46.850 36.598 -12.652 1.00 0.00 WT1 O ATOM 8295 H1 TIP3W6519 46.386 35.789 -12.314 1.00 0.00 WT1 H ATOM 8296 H2 TIP3W6519 46.144 37.013 -13.232 1.00 0.00 WT1 H ATOM 8297 OH2 TIP3W6521 50.472 50.432 3.527 1.00 0.00 WT1 O ATOM 8298 H1 TIP3W6521 50.172 50.507 4.411 1.00 0.00 WT1 H ATOM 8299 H2 TIP3W6521 50.512 49.507 3.400 1.00 0.00 WT1 H ATOM 8300 OH2 TIP3W6523 51.768 42.492 20.254 1.00 0.00 WT1 O ATOM 8301 H1 TIP3W6523 50.815 42.277 20.145 1.00 0.00 WT1 H ATOM 8302 H2 TIP3W6523 52.144 41.705 20.701 1.00 0.00 WT1 H ATOM 8303 OH2 TIP3W6525 49.196 48.784 21.493 1.00 0.00 WT1 O ATOM 8304 H1 TIP3W6525 48.361 48.892 21.948 1.00 0.00 WT1 H ATOM 8305 H2 TIP3W6525 49.279 49.648 20.995 1.00 0.00 WT1 H ATOM 8306 OH2 TIP3W6539 38.257 49.688 18.429 1.00 0.00 WT1 O ATOM 8307 H1 TIP3W6539 38.487 48.813 18.771 1.00 0.00 WT1 H ATOM 8308 H2 TIP3W6539 37.303 49.677 18.249 1.00 0.00 WT1 H ATOM 8309 OH2 TIP3W6542 51.497 47.955 17.859 1.00 0.00 WT1 O ATOM 8310 H1 TIP3W6542 52.324 47.736 18.286 1.00 0.00 WT1 H ATOM 8311 H2 TIP3W6542 51.081 47.161 17.437 1.00 0.00 WT1 H ATOM 8312 OH2 TIP3W6545 49.209 46.194 20.363 1.00 0.00 WT1 O ATOM 8313 H1 TIP3W6545 48.961 47.008 20.830 1.00 0.00 WT1 H ATOM 8314 H2 TIP3W6545 48.711 46.153 19.530 1.00 0.00 WT1 H ATOM 8315 OH2 TIP3W6547 47.799 31.070 20.628 1.00 0.00 WT1 O ATOM 8316 H1 TIP3W6547 47.151 31.237 21.316 1.00 0.00 WT1 H ATOM 8317 H2 TIP3W6547 47.406 30.311 20.166 1.00 0.00 WT1 H ATOM 8318 OH2 TIP3W6551 41.348 5.814 -20.112 1.00 0.00 WT1 O ATOM 8319 H1 TIP3W6551 40.366 5.856 -19.937 1.00 0.00 WT1 H ATOM 8320 H2 TIP3W6551 41.742 5.271 -19.349 1.00 0.00 WT1 H ATOM 8321 OH2 TIP3W6552 32.681 49.963 -18.067 1.00 0.00 WT1 O ATOM 8322 H1 TIP3W6552 33.236 49.875 -18.797 1.00 0.00 WT1 H ATOM 8323 H2 TIP3W6552 32.428 49.027 -17.871 1.00 0.00 WT1 H ATOM 8324 OH2 TIP3W6554 47.675 46.633 18.192 1.00 0.00 WT1 O ATOM 8325 H1 TIP3W6554 46.821 46.141 18.258 1.00 0.00 WT1 H ATOM 8326 H2 TIP3W6554 47.517 47.543 18.509 1.00 0.00 WT1 H ATOM 8327 OH2 TIP3W6555 49.479 3.287 -14.785 1.00 0.00 WT1 O ATOM 8328 H1 TIP3W6555 50.384 3.162 -14.825 1.00 0.00 WT1 H ATOM 8329 H2 TIP3W6555 49.117 2.381 -14.805 1.00 0.00 WT1 H ATOM 8330 OH2 TIP3W6560 50.190 42.081 -0.373 1.00 0.00 WT1 O ATOM 8331 H1 TIP3W6560 50.214 41.416 -1.091 1.00 0.00 WT1 H ATOM 8332 H2 TIP3W6560 50.481 41.671 0.495 1.00 0.00 WT1 H ATOM 8333 OH2 TIP3W6561 44.543 2.192 12.533 1.00 0.00 WT1 O ATOM 8334 H1 TIP3W6561 44.519 2.538 13.415 1.00 0.00 WT1 H ATOM 8335 H2 TIP3W6561 45.344 2.521 12.210 1.00 0.00 WT1 H ATOM 8336 OH2 TIP3W6575 40.995 5.505 -12.036 1.00 0.00 WT1 O ATOM 8337 H1 TIP3W6575 40.174 5.989 -12.011 1.00 0.00 WT1 H ATOM 8338 H2 TIP3W6575 41.650 6.156 -11.828 1.00 0.00 WT1 H ATOM 8339 OH2 TIP3W6577 42.977 1.508 -3.171 1.00 0.00 WT1 O ATOM 8340 H1 TIP3W6577 42.371 2.065 -3.728 1.00 0.00 WT1 H ATOM 8341 H2 TIP3W6577 42.534 1.527 -2.296 1.00 0.00 WT1 H ATOM 8342 OH2 TIP3W6578 42.367 2.684 1.851 1.00 0.00 WT1 O ATOM 8343 H1 TIP3W6578 41.484 2.349 1.535 1.00 0.00 WT1 H ATOM 8344 H2 TIP3W6578 42.799 1.931 2.365 1.00 0.00 WT1 H ATOM 8345 OH2 TIP3W6597 41.244 0.192 -13.961 1.00 0.00 WT1 O ATOM 8346 H1 TIP3W6597 40.481 -0.179 -14.414 1.00 0.00 WT1 H ATOM 8347 H2 TIP3W6597 40.888 0.611 -13.155 1.00 0.00 WT1 H ATOM 8348 OH2 TIP3W6602 46.939 18.959 -4.017 1.00 0.00 WT1 O ATOM 8349 H1 TIP3W6602 47.443 18.191 -4.231 1.00 0.00 WT1 H ATOM 8350 H2 TIP3W6602 47.269 19.594 -4.614 1.00 0.00 WT1 H ATOM 8351 OH2 TIP3W6603 42.995 10.967 -4.757 1.00 0.00 WT1 O ATOM 8352 H1 TIP3W6603 42.203 11.365 -5.154 1.00 0.00 WT1 H ATOM 8353 H2 TIP3W6603 43.066 10.133 -5.212 1.00 0.00 WT1 H ATOM 8354 OH2 TIP3W6604 49.029 1.812 14.764 1.00 0.00 WT1 O ATOM 8355 H1 TIP3W6604 48.769 1.575 15.663 1.00 0.00 WT1 H ATOM 8356 H2 TIP3W6604 49.971 1.981 14.808 1.00 0.00 WT1 H ATOM 8357 OH2 TIP3W6615 46.071 1.348 -17.487 1.00 0.00 WT1 O ATOM 8358 H1 TIP3W6615 46.342 1.052 -18.337 1.00 0.00 WT1 H ATOM 8359 H2 TIP3W6615 46.318 0.634 -16.876 1.00 0.00 WT1 H ATOM 8360 OH2 TIP3W6616 49.886 7.903 -15.851 1.00 0.00 WT1 O ATOM 8361 H1 TIP3W6616 49.771 8.845 -15.772 1.00 0.00 WT1 H ATOM 8362 H2 TIP3W6616 49.293 7.566 -15.178 1.00 0.00 WT1 H ATOM 8363 OH2 TIP3W6618 50.183 9.172 -7.022 1.00 0.00 WT1 O ATOM 8364 H1 TIP3W6618 50.307 10.083 -6.846 1.00 0.00 WT1 H ATOM 8365 H2 TIP3W6618 50.963 8.905 -7.529 1.00 0.00 WT1 H ATOM 8366 OH2 TIP3W6628 5.459 12.595 20.622 1.00 0.00 WT1 O ATOM 8367 H1 TIP3W6628 5.446 12.476 21.564 1.00 0.00 WT1 H ATOM 8368 H2 TIP3W6628 4.826 13.236 20.417 1.00 0.00 WT1 H ATOM 8369 OH2 TIP3W6639 51.381 0.094 -17.098 1.00 0.00 WT1 O ATOM 8370 H1 TIP3W6639 50.569 -0.414 -16.933 1.00 0.00 WT1 H ATOM 8371 H2 TIP3W6639 51.561 0.571 -16.261 1.00 0.00 WT1 H ATOM 8372 OH2 TIP3W6644 48.718 14.916 11.628 1.00 0.00 WT1 O ATOM 8373 H1 TIP3W6644 49.013 14.421 12.372 1.00 0.00 WT1 H ATOM 8374 H2 TIP3W6644 49.156 14.403 10.910 1.00 0.00 WT1 H ATOM 8375 OH2 TIP3W6645 49.969 11.717 -0.144 1.00 0.00 WT1 O ATOM 8376 H1 TIP3W6645 50.659 11.282 -0.666 1.00 0.00 WT1 H ATOM 8377 H2 TIP3W6645 49.289 12.004 -0.791 1.00 0.00 WT1 H ATOM 8378 OH2 TIP3W6647 48.727 5.543 19.694 1.00 0.00 WT1 O ATOM 8379 H1 TIP3W6647 49.667 5.313 19.532 1.00 0.00 WT1 H ATOM 8380 H2 TIP3W6647 48.664 6.438 19.383 1.00 0.00 WT1 H ATOM 8381 OH2 TIP3W6657 47.511 5.814 22.035 1.00 0.00 WT1 O ATOM 8382 H1 TIP3W6657 47.776 5.067 22.636 1.00 0.00 WT1 H ATOM 8383 H2 TIP3W6657 47.909 5.588 21.225 1.00 0.00 WT1 H ATOM 8384 OH2 TIP3W6660 45.350 22.509 -7.942 1.00 0.00 WT1 O ATOM 8385 H1 TIP3W6660 46.136 22.795 -8.445 1.00 0.00 WT1 H ATOM 8386 H2 TIP3W6660 44.786 22.199 -8.670 1.00 0.00 WT1 H ATOM 8387 OH2 TIP3W6661 40.898 16.807 -16.489 1.00 0.00 WT1 O ATOM 8388 H1 TIP3W6661 40.449 16.973 -17.315 1.00 0.00 WT1 H ATOM 8389 H2 TIP3W6661 40.825 15.849 -16.429 1.00 0.00 WT1 H ATOM 8390 OH2 TIP3W6664 46.376 14.785 -2.368 1.00 0.00 WT1 O ATOM 8391 H1 TIP3W6664 45.656 14.309 -2.747 1.00 0.00 WT1 H ATOM 8392 H2 TIP3W6664 45.899 15.557 -2.073 1.00 0.00 WT1 H ATOM 8393 OH2 TIP3W6667 39.305 0.755 16.751 1.00 0.00 WT1 O ATOM 8394 H1 TIP3W6667 38.651 0.390 16.122 1.00 0.00 WT1 H ATOM 8395 H2 TIP3W6667 38.772 1.502 17.155 1.00 0.00 WT1 H ATOM 8396 OH2 TIP3W6669 40.145 5.496 10.351 1.00 0.00 WT1 O ATOM 8397 H1 TIP3W6669 40.946 5.168 9.822 1.00 0.00 WT1 H ATOM 8398 H2 TIP3W6669 39.944 4.680 10.935 1.00 0.00 WT1 H ATOM 8399 OH2 TIP3W6671 5.207 11.383 -0.854 1.00 0.00 WT1 O ATOM 8400 H1 TIP3W6671 5.544 12.147 -0.305 1.00 0.00 WT1 H ATOM 8401 H2 TIP3W6671 5.420 10.653 -0.352 1.00 0.00 WT1 H ATOM 8402 OH2 TIP3W6672 36.995 8.010 13.085 1.00 0.00 WT1 O ATOM 8403 H1 TIP3W6672 36.357 7.495 12.529 1.00 0.00 WT1 H ATOM 8404 H2 TIP3W6672 37.591 8.369 12.411 1.00 0.00 WT1 H ATOM 8405 OH2 TIP3W6673 49.019 10.126 15.140 1.00 0.00 WT1 O ATOM 8406 H1 TIP3W6673 49.886 10.126 14.675 1.00 0.00 WT1 H ATOM 8407 H2 TIP3W6673 49.132 10.676 15.944 1.00 0.00 WT1 H ATOM 8408 OH2 TIP3W6679 49.051 10.524 -15.739 1.00 0.00 WT1 O ATOM 8409 H1 TIP3W6679 49.339 11.051 -16.513 1.00 0.00 WT1 H ATOM 8410 H2 TIP3W6679 48.445 11.170 -15.385 1.00 0.00 WT1 H ATOM 8411 OH2 TIP3W6681 40.936 19.520 -20.009 1.00 0.00 WT1 O ATOM 8412 H1 TIP3W6681 40.701 20.444 -19.683 1.00 0.00 WT1 H ATOM 8413 H2 TIP3W6681 41.401 19.135 -19.208 1.00 0.00 WT1 H ATOM 8414 OH2 TIP3W6683 47.103 8.980 10.037 1.00 0.00 WT1 O ATOM 8415 H1 TIP3W6683 47.549 8.453 9.347 1.00 0.00 WT1 H ATOM 8416 H2 TIP3W6683 46.252 8.534 10.046 1.00 0.00 WT1 H ATOM 8417 OH2 TIP3W6684 32.222 9.543 -17.722 1.00 0.00 WT1 O ATOM 8418 H1 TIP3W6684 31.280 9.260 -17.719 1.00 0.00 WT1 H ATOM 8419 H2 TIP3W6684 32.096 10.511 -17.859 1.00 0.00 WT1 H ATOM 8420 OH2 TIP3W6693 38.423 8.417 18.987 1.00 0.00 WT1 O ATOM 8421 H1 TIP3W6693 38.539 7.507 18.732 1.00 0.00 WT1 H ATOM 8422 H2 TIP3W6693 37.431 8.509 18.866 1.00 0.00 WT1 H ATOM 8423 OH2 TIP3W6700 51.102 -0.538 -13.475 1.00 0.00 WT1 O ATOM 8424 H1 TIP3W6700 51.866 -1.093 -13.664 1.00 0.00 WT1 H ATOM 8425 H2 TIP3W6700 51.453 0.364 -13.475 1.00 0.00 WT1 H ATOM 8426 OH2 TIP3W6703 38.718 11.093 -8.126 1.00 0.00 WT1 O ATOM 8427 H1 TIP3W6703 38.327 11.881 -7.836 1.00 0.00 WT1 H ATOM 8428 H2 TIP3W6703 39.617 11.450 -8.424 1.00 0.00 WT1 H ATOM 8429 OH2 TIP3W6707 39.657 3.298 7.978 1.00 0.00 WT1 O ATOM 8430 H1 TIP3W6707 40.238 3.898 7.489 1.00 0.00 WT1 H ATOM 8431 H2 TIP3W6707 40.136 2.503 7.900 1.00 0.00 WT1 H ATOM 8432 OH2 TIP3W6714 50.468 4.557 13.184 1.00 0.00 WT1 O ATOM 8433 H1 TIP3W6714 51.206 3.997 13.401 1.00 0.00 WT1 H ATOM 8434 H2 TIP3W6714 50.574 4.783 12.252 1.00 0.00 WT1 H ATOM 8435 OH2 TIP3W6721 44.038 17.656 -13.888 1.00 0.00 WT1 O ATOM 8436 H1 TIP3W6721 44.866 17.935 -14.376 1.00 0.00 WT1 H ATOM 8437 H2 TIP3W6721 44.108 16.695 -13.909 1.00 0.00 WT1 H ATOM 8438 OH2 TIP3W6722 46.121 29.749 -2.493 1.00 0.00 WT1 O ATOM 8439 H1 TIP3W6722 46.888 30.179 -2.917 1.00 0.00 WT1 H ATOM 8440 H2 TIP3W6722 45.807 29.222 -3.137 1.00 0.00 WT1 H ATOM 8441 OH2 TIP3W6725 44.209 3.537 -0.126 1.00 0.00 WT1 O ATOM 8442 H1 TIP3W6725 43.605 2.998 0.339 1.00 0.00 WT1 H ATOM 8443 H2 TIP3W6725 44.576 4.065 0.574 1.00 0.00 WT1 H ATOM 8444 OH2 TIP3W6727 45.464 2.405 -5.116 1.00 0.00 WT1 O ATOM 8445 H1 TIP3W6727 45.441 3.139 -4.569 1.00 0.00 WT1 H ATOM 8446 H2 TIP3W6727 46.013 1.719 -4.632 1.00 0.00 WT1 H ATOM 8447 OH2 TIP3W6728 52.423 6.880 10.601 1.00 0.00 WT1 O ATOM 8448 H1 TIP3W6728 51.887 6.051 10.531 1.00 0.00 WT1 H ATOM 8449 H2 TIP3W6728 51.747 7.612 10.483 1.00 0.00 WT1 H ATOM 8450 OH2 TIP3W6729 47.840 19.825 0.263 1.00 0.00 WT1 O ATOM 8451 H1 TIP3W6729 46.987 20.232 0.640 1.00 0.00 WT1 H ATOM 8452 H2 TIP3W6729 47.848 20.134 -0.637 1.00 0.00 WT1 H ATOM 8453 OH2 TIP3W6730 47.330 12.291 -1.612 1.00 0.00 WT1 O ATOM 8454 H1 TIP3W6730 46.455 12.089 -1.753 1.00 0.00 WT1 H ATOM 8455 H2 TIP3W6730 47.380 13.271 -1.789 1.00 0.00 WT1 H ATOM 8456 OH2 TIP3W6736 46.503 18.185 18.485 1.00 0.00 WT1 O ATOM 8457 H1 TIP3W6736 46.450 19.054 18.970 1.00 0.00 WT1 H ATOM 8458 H2 TIP3W6736 47.156 18.319 17.804 1.00 0.00 WT1 H ATOM 8459 OH2 TIP3W6742 49.731 13.966 -13.099 1.00 0.00 WT1 O ATOM 8460 H1 TIP3W6742 50.736 14.085 -13.105 1.00 0.00 WT1 H ATOM 8461 H2 TIP3W6742 49.482 14.361 -12.265 1.00 0.00 WT1 H ATOM 8462 OH2 TIP3W6743 47.779 11.948 -13.371 1.00 0.00 WT1 O ATOM 8463 H1 TIP3W6743 47.051 12.400 -13.010 1.00 0.00 WT1 H ATOM 8464 H2 TIP3W6743 48.421 12.562 -13.055 1.00 0.00 WT1 H ATOM 8465 OH2 TIP3W6751 7.358 25.015 10.346 1.00 0.00 WT1 O ATOM 8466 H1 TIP3W6751 7.691 24.306 10.939 1.00 0.00 WT1 H ATOM 8467 H2 TIP3W6751 6.410 24.999 10.545 1.00 0.00 WT1 H ATOM 8468 OH2 TIP3W6762 48.273 24.176 -19.138 1.00 0.00 WT1 O ATOM 8469 H1 TIP3W6762 49.071 23.768 -18.806 1.00 0.00 WT1 H ATOM 8470 H2 TIP3W6762 48.657 24.820 -19.804 1.00 0.00 WT1 H ATOM 8471 OH2 TIP3W6763 47.173 21.728 -20.406 1.00 0.00 WT1 O ATOM 8472 H1 TIP3W6763 47.362 21.706 -21.332 1.00 0.00 WT1 H ATOM 8473 H2 TIP3W6763 47.507 22.648 -20.203 1.00 0.00 WT1 H ATOM 8474 OH2 TIP3W6768 50.623 32.483 -8.321 1.00 0.00 WT1 O ATOM 8475 H1 TIP3W6768 51.415 32.785 -8.838 1.00 0.00 WT1 H ATOM 8476 H2 TIP3W6768 50.064 31.875 -8.868 1.00 0.00 WT1 H ATOM 8477 OH2 TIP3W6769 51.400 12.728 -7.295 1.00 0.00 WT1 O ATOM 8478 H1 TIP3W6769 50.785 12.598 -8.076 1.00 0.00 WT1 H ATOM 8479 H2 TIP3W6769 50.779 12.850 -6.581 1.00 0.00 WT1 H ATOM 8480 OH2 TIP3W6773 8.831 27.788 21.373 1.00 0.00 WT1 O ATOM 8481 H1 TIP3W6773 7.965 27.327 21.661 1.00 0.00 WT1 H ATOM 8482 H2 TIP3W6773 8.422 28.622 21.144 1.00 0.00 WT1 H ATOM 8483 OH2 TIP3W6777 45.878 2.032 21.051 1.00 0.00 WT1 O ATOM 8484 H1 TIP3W6777 45.688 1.188 20.630 1.00 0.00 WT1 H ATOM 8485 H2 TIP3W6777 44.989 2.429 21.154 1.00 0.00 WT1 H ATOM 8486 OH2 TIP3W6788 47.342 25.303 -5.659 1.00 0.00 WT1 O ATOM 8487 H1 TIP3W6788 47.148 25.526 -4.766 1.00 0.00 WT1 H ATOM 8488 H2 TIP3W6788 46.517 24.765 -5.849 1.00 0.00 WT1 H ATOM 8489 OH2 TIP3W6789 45.442 28.995 13.336 1.00 0.00 WT1 O ATOM 8490 H1 TIP3W6789 45.145 28.296 13.975 1.00 0.00 WT1 H ATOM 8491 H2 TIP3W6789 44.683 29.601 13.313 1.00 0.00 WT1 H ATOM 8492 OH2 TIP3W6791 48.181 28.101 -10.583 1.00 0.00 WT1 O ATOM 8493 H1 TIP3W6791 48.642 28.023 -9.699 1.00 0.00 WT1 H ATOM 8494 H2 TIP3W6791 47.486 27.355 -10.452 1.00 0.00 WT1 H ATOM 8495 OH2 TIP3W6793 51.822 33.335 3.012 1.00 0.00 WT1 O ATOM 8496 H1 TIP3W6793 51.969 32.596 2.424 1.00 0.00 WT1 H ATOM 8497 H2 TIP3W6793 51.915 34.150 2.494 1.00 0.00 WT1 H ATOM 8498 OH2 TIP3W6794 46.971 18.714 8.778 1.00 0.00 WT1 O ATOM 8499 H1 TIP3W6794 47.663 18.052 8.561 1.00 0.00 WT1 H ATOM 8500 H2 TIP3W6794 46.418 18.239 9.414 1.00 0.00 WT1 H ATOM 8501 OH2 TIP3W6795 48.900 25.419 21.120 1.00 0.00 WT1 O ATOM 8502 H1 TIP3W6795 49.256 25.771 21.951 1.00 0.00 WT1 H ATOM 8503 H2 TIP3W6795 49.345 25.979 20.381 1.00 0.00 WT1 H ATOM 8504 OH2 TIP3W6802 35.469 19.294 18.290 1.00 0.00 WT1 O ATOM 8505 H1 TIP3W6802 34.761 18.841 17.792 1.00 0.00 WT1 H ATOM 8506 H2 TIP3W6802 35.105 19.535 19.102 1.00 0.00 WT1 H ATOM 8507 OH2 TIP3W6803 46.022 30.074 -14.586 1.00 0.00 WT1 O ATOM 8508 H1 TIP3W6803 46.776 29.701 -14.089 1.00 0.00 WT1 H ATOM 8509 H2 TIP3W6803 45.298 30.122 -13.916 1.00 0.00 WT1 H ATOM 8510 OH2 TIP3W6808 44.137 27.736 5.343 1.00 0.00 WT1 O ATOM 8511 H1 TIP3W6808 45.078 27.974 5.500 1.00 0.00 WT1 H ATOM 8512 H2 TIP3W6808 44.210 27.036 4.657 1.00 0.00 WT1 H ATOM 8513 OH2 TIP3W6811 42.651 49.147 -2.392 1.00 0.00 WT1 O ATOM 8514 H1 TIP3W6811 43.311 48.522 -2.015 1.00 0.00 WT1 H ATOM 8515 H2 TIP3W6811 42.432 48.752 -3.264 1.00 0.00 WT1 H ATOM 8516 OH2 TIP3W6815 38.169 49.298 0.250 1.00 0.00 WT1 O ATOM 8517 H1 TIP3W6815 39.031 49.586 -0.075 1.00 0.00 WT1 H ATOM 8518 H2 TIP3W6815 37.696 50.156 0.459 1.00 0.00 WT1 H ATOM 8519 OH2 TIP3W6816 44.905 37.430 12.890 1.00 0.00 WT1 O ATOM 8520 H1 TIP3W6816 44.976 38.389 12.587 1.00 0.00 WT1 H ATOM 8521 H2 TIP3W6816 45.683 37.286 13.401 1.00 0.00 WT1 H ATOM 8522 OH2 TIP3W6817 44.397 16.378 18.477 1.00 0.00 WT1 O ATOM 8523 H1 TIP3W6817 45.088 17.089 18.591 1.00 0.00 WT1 H ATOM 8524 H2 TIP3W6817 44.729 15.933 17.694 1.00 0.00 WT1 H ATOM 8525 OH2 TIP3W6819 47.867 18.456 13.603 1.00 0.00 WT1 O ATOM 8526 H1 TIP3W6819 46.907 18.609 13.793 1.00 0.00 WT1 H ATOM 8527 H2 TIP3W6819 47.995 18.155 12.674 1.00 0.00 WT1 H ATOM 8528 OH2 TIP3W6820 43.343 19.299 20.486 1.00 0.00 WT1 O ATOM 8529 H1 TIP3W6820 44.042 19.695 19.940 1.00 0.00 WT1 H ATOM 8530 H2 TIP3W6820 42.557 19.342 19.905 1.00 0.00 WT1 H ATOM 8531 OH2 TIP3W6823 50.173 14.050 21.336 1.00 0.00 WT1 O ATOM 8532 H1 TIP3W6823 50.226 13.197 20.870 1.00 0.00 WT1 H ATOM 8533 H2 TIP3W6823 49.391 14.524 20.919 1.00 0.00 WT1 H ATOM 8534 OH2 TIP3W6828 50.803 37.105 -14.340 1.00 0.00 WT1 O ATOM 8535 H1 TIP3W6828 50.676 36.357 -13.732 1.00 0.00 WT1 H ATOM 8536 H2 TIP3W6828 50.028 37.640 -14.150 1.00 0.00 WT1 H ATOM 8537 OH2 TIP3W6829 48.551 33.068 4.985 1.00 0.00 WT1 O ATOM 8538 H1 TIP3W6829 48.252 33.474 5.778 1.00 0.00 WT1 H ATOM 8539 H2 TIP3W6829 49.566 33.109 4.993 1.00 0.00 WT1 H ATOM 8540 OH2 TIP3W6830 37.938 48.527 3.141 1.00 0.00 WT1 O ATOM 8541 H1 TIP3W6830 38.804 48.034 3.285 1.00 0.00 WT1 H ATOM 8542 H2 TIP3W6830 37.936 48.560 2.120 1.00 0.00 WT1 H ATOM 8543 OH2 TIP3W6832 45.242 32.561 0.852 1.00 0.00 WT1 O ATOM 8544 H1 TIP3W6832 45.912 32.839 1.492 1.00 0.00 WT1 H ATOM 8545 H2 TIP3W6832 44.691 33.395 0.709 1.00 0.00 WT1 H ATOM 8546 OH2 TIP3W6833 52.513 44.403 5.441 1.00 0.00 WT1 O ATOM 8547 H1 TIP3W6833 52.120 43.995 6.218 1.00 0.00 WT1 H ATOM 8548 H2 TIP3W6833 51.860 44.273 4.752 1.00 0.00 WT1 H ATOM 8549 OH2 TIP3W6834 30.057 32.737 -18.033 1.00 0.00 WT1 O ATOM 8550 H1 TIP3W6834 29.825 33.306 -18.846 1.00 0.00 WT1 H ATOM 8551 H2 TIP3W6834 29.277 32.756 -17.396 1.00 0.00 WT1 H ATOM 8552 OH2 TIP3W6835 44.929 33.903 6.097 1.00 0.00 WT1 O ATOM 8553 H1 TIP3W6835 45.546 34.445 5.571 1.00 0.00 WT1 H ATOM 8554 H2 TIP3W6835 45.050 34.182 6.984 1.00 0.00 WT1 H ATOM 8555 OH2 TIP3W6837 42.658 18.760 10.433 1.00 0.00 WT1 O ATOM 8556 H1 TIP3W6837 42.412 19.610 9.997 1.00 0.00 WT1 H ATOM 8557 H2 TIP3W6837 41.789 18.424 10.748 1.00 0.00 WT1 H ATOM 8558 OH2 TIP3W6846 46.422 32.278 -21.368 1.00 0.00 WT1 O ATOM 8559 H1 TIP3W6846 46.156 31.911 -20.488 1.00 0.00 WT1 H ATOM 8560 H2 TIP3W6846 47.290 31.834 -21.574 1.00 0.00 WT1 H ATOM 8561 OH2 TIP3W6848 42.515 40.784 -15.053 1.00 0.00 WT1 O ATOM 8562 H1 TIP3W6848 42.431 41.616 -14.584 1.00 0.00 WT1 H ATOM 8563 H2 TIP3W6848 42.705 41.030 -15.994 1.00 0.00 WT1 H ATOM 8564 OH2 TIP3W6851 44.838 36.140 -5.203 1.00 0.00 WT1 O ATOM 8565 H1 TIP3W6851 44.499 35.250 -4.899 1.00 0.00 WT1 H ATOM 8566 H2 TIP3W6851 45.607 35.863 -5.701 1.00 0.00 WT1 H ATOM 8567 OH2 TIP3W6852 42.332 43.321 -14.271 1.00 0.00 WT1 O ATOM 8568 H1 TIP3W6852 41.538 43.575 -13.753 1.00 0.00 WT1 H ATOM 8569 H2 TIP3W6852 41.984 43.588 -15.140 1.00 0.00 WT1 H ATOM 8570 OH2 TIP3W6854 41.238 32.597 -3.786 1.00 0.00 WT1 O ATOM 8571 H1 TIP3W6854 41.160 31.694 -4.177 1.00 0.00 WT1 H ATOM 8572 H2 TIP3W6854 41.972 32.999 -4.279 1.00 0.00 WT1 H ATOM 8573 OH2 TIP3W6859 45.747 31.581 11.722 1.00 0.00 WT1 O ATOM 8574 H1 TIP3W6859 46.051 31.918 12.591 1.00 0.00 WT1 H ATOM 8575 H2 TIP3W6859 45.632 32.403 11.228 1.00 0.00 WT1 H ATOM 8576 OH2 TIP3W6870 49.313 31.532 -14.921 1.00 0.00 WT1 O ATOM 8577 H1 TIP3W6870 49.731 32.306 -15.387 1.00 0.00 WT1 H ATOM 8578 H2 TIP3W6870 49.693 31.562 -14.096 1.00 0.00 WT1 H ATOM 8579 OH2 TIP3W6872 51.169 23.577 -3.947 1.00 0.00 WT1 O ATOM 8580 H1 TIP3W6872 51.696 23.309 -3.174 1.00 0.00 WT1 H ATOM 8581 H2 TIP3W6872 51.673 24.304 -4.331 1.00 0.00 WT1 H ATOM 8582 OH2 TIP3W6873 50.074 44.996 3.781 1.00 0.00 WT1 O ATOM 8583 H1 TIP3W6873 49.121 45.374 3.694 1.00 0.00 WT1 H ATOM 8584 H2 TIP3W6873 50.155 44.545 2.882 1.00 0.00 WT1 H ATOM 8585 OH2 TIP3W6875 50.489 40.787 1.880 1.00 0.00 WT1 O ATOM 8586 H1 TIP3W6875 51.168 41.044 2.540 1.00 0.00 WT1 H ATOM 8587 H2 TIP3W6875 49.831 40.373 2.464 1.00 0.00 WT1 H ATOM 8588 OH2 TIP3W6876 51.345 41.449 10.937 1.00 0.00 WT1 O ATOM 8589 H1 TIP3W6876 50.700 42.028 11.193 1.00 0.00 WT1 H ATOM 8590 H2 TIP3W6876 51.778 41.214 11.777 1.00 0.00 WT1 H ATOM 8591 OH2 TIP3W6882 45.757 35.466 10.963 1.00 0.00 WT1 O ATOM 8592 H1 TIP3W6882 45.388 35.671 11.843 1.00 0.00 WT1 H ATOM 8593 H2 TIP3W6882 46.619 35.836 11.030 1.00 0.00 WT1 H ATOM 8594 OH2 TIP3W6887 49.062 41.953 -11.975 1.00 0.00 WT1 O ATOM 8595 H1 TIP3W6887 48.905 41.432 -11.130 1.00 0.00 WT1 H ATOM 8596 H2 TIP3W6887 48.152 42.157 -12.257 1.00 0.00 WT1 H ATOM 8597 OH2 TIP3W6889 40.351 46.596 -12.103 1.00 0.00 WT1 O ATOM 8598 H1 TIP3W6889 39.446 46.575 -11.789 1.00 0.00 WT1 H ATOM 8599 H2 TIP3W6889 40.389 45.775 -12.634 1.00 0.00 WT1 H ATOM 8600 OH2 TIP3W6894 47.395 48.094 8.919 1.00 0.00 WT1 O ATOM 8601 H1 TIP3W6894 48.022 48.863 8.723 1.00 0.00 WT1 H ATOM 8602 H2 TIP3W6894 46.614 48.446 8.550 1.00 0.00 WT1 H ATOM 8603 OH2 TIP3W6897 47.464 39.538 2.160 1.00 0.00 WT1 O ATOM 8604 H1 TIP3W6897 47.125 40.383 1.808 1.00 0.00 WT1 H ATOM 8605 H2 TIP3W6897 48.013 39.750 2.874 1.00 0.00 WT1 H ATOM 8606 OH2 TIP3W6901 45.880 31.772 16.278 1.00 0.00 WT1 O ATOM 8607 H1 TIP3W6901 45.723 32.516 16.898 1.00 0.00 WT1 H ATOM 8608 H2 TIP3W6901 45.394 31.082 16.753 1.00 0.00 WT1 H ATOM 8609 OH2 TIP3W6902 33.897 41.037 20.463 1.00 0.00 WT1 O ATOM 8610 H1 TIP3W6902 33.223 41.500 21.020 1.00 0.00 WT1 H ATOM 8611 H2 TIP3W6902 34.717 41.240 20.971 1.00 0.00 WT1 H ATOM 8612 OH2 TIP3W6905 52.111 32.808 18.280 1.00 0.00 WT1 O ATOM 8613 H1 TIP3W6905 51.504 33.564 18.395 1.00 0.00 WT1 H ATOM 8614 H2 TIP3W6905 51.594 32.029 18.451 1.00 0.00 WT1 H ATOM 8615 OH2 TIP3W6917 41.619 30.508 8.231 1.00 0.00 WT1 O ATOM 8616 H1 TIP3W6917 41.716 29.602 7.859 1.00 0.00 WT1 H ATOM 8617 H2 TIP3W6917 42.184 31.031 7.652 1.00 0.00 WT1 H ATOM 8618 OH2 TIP3W6918 45.551 46.243 10.113 1.00 0.00 WT1 O ATOM 8619 H1 TIP3W6918 46.315 46.570 9.572 1.00 0.00 WT1 H ATOM 8620 H2 TIP3W6918 45.955 45.394 10.351 1.00 0.00 WT1 H ATOM 8621 OH2 TIP3W6920 51.014 47.324 8.806 1.00 0.00 WT1 O ATOM 8622 H1 TIP3W6920 50.492 47.613 9.563 1.00 0.00 WT1 H ATOM 8623 H2 TIP3W6920 50.396 46.742 8.312 1.00 0.00 WT1 H ATOM 8624 OH2 TIP3W6926 49.614 40.333 21.124 1.00 0.00 WT1 O ATOM 8625 H1 TIP3W6926 49.015 39.654 20.853 1.00 0.00 WT1 H ATOM 8626 H2 TIP3W6926 49.313 41.083 20.539 1.00 0.00 WT1 H ATOM 8627 OH2 TIP3W6928 44.981 46.568 -16.715 1.00 0.00 WT1 O ATOM 8628 H1 TIP3W6928 45.799 46.102 -16.992 1.00 0.00 WT1 H ATOM 8629 H2 TIP3W6928 44.752 47.232 -17.414 1.00 0.00 WT1 H ATOM 8630 OH2 TIP3W6930 43.561 49.117 -17.806 1.00 0.00 WT1 O ATOM 8631 H1 TIP3W6930 43.942 49.444 -18.633 1.00 0.00 WT1 H ATOM 8632 H2 TIP3W6930 43.817 49.787 -17.167 1.00 0.00 WT1 H ATOM 8633 OH2 TIP3W6934 51.477 31.225 1.005 1.00 0.00 WT1 O ATOM 8634 H1 TIP3W6934 52.441 31.089 0.985 1.00 0.00 WT1 H ATOM 8635 H2 TIP3W6934 51.244 31.661 0.118 1.00 0.00 WT1 H ATOM 8636 OH2 TIP3W6939 41.735 48.728 4.829 1.00 0.00 WT1 O ATOM 8637 H1 TIP3W6939 41.063 48.244 4.282 1.00 0.00 WT1 H ATOM 8638 H2 TIP3W6939 41.847 48.093 5.554 1.00 0.00 WT1 H ATOM 8639 OH2 TIP3W6952 46.767 2.938 -9.306 1.00 0.00 WT1 O ATOM 8640 H1 TIP3W6952 46.449 3.876 -9.339 1.00 0.00 WT1 H ATOM 8641 H2 TIP3W6952 47.519 3.014 -8.677 1.00 0.00 WT1 H ATOM 8642 OH2 TIP3W6953 48.954 8.279 -18.610 1.00 0.00 WT1 O ATOM 8643 H1 TIP3W6953 49.433 8.268 -17.741 1.00 0.00 WT1 H ATOM 8644 H2 TIP3W6953 49.098 7.318 -18.937 1.00 0.00 WT1 H ATOM 8645 OH2 TIP3W6954 46.343 47.659 -0.368 1.00 0.00 WT1 O ATOM 8646 H1 TIP3W6954 46.457 47.795 0.596 1.00 0.00 WT1 H ATOM 8647 H2 TIP3W6954 46.835 48.375 -0.863 1.00 0.00 WT1 H ATOM 8648 OH2 TIP3W6955 50.402 1.231 -10.767 1.00 0.00 WT1 O ATOM 8649 H1 TIP3W6955 51.227 1.313 -11.329 1.00 0.00 WT1 H ATOM 8650 H2 TIP3W6955 50.734 0.637 -10.040 1.00 0.00 WT1 H ATOM 8651 OH2 TIP3W6961 36.270 48.754 11.123 1.00 0.00 WT1 O ATOM 8652 H1 TIP3W6961 35.859 47.871 11.210 1.00 0.00 WT1 H ATOM 8653 H2 TIP3W6961 36.249 48.777 10.187 1.00 0.00 WT1 H ATOM 8654 OH2 TIP3W6975 40.998 2.841 -4.536 1.00 0.00 WT1 O ATOM 8655 H1 TIP3W6975 41.203 2.700 -5.448 1.00 0.00 WT1 H ATOM 8656 H2 TIP3W6975 40.234 2.303 -4.350 1.00 0.00 WT1 H ATOM 8657 OH2 TIP3W6979 42.840 26.796 13.451 1.00 0.00 WT1 O ATOM 8658 H1 TIP3W6979 43.528 26.989 14.095 1.00 0.00 WT1 H ATOM 8659 H2 TIP3W6979 42.489 25.927 13.681 1.00 0.00 WT1 H ATOM 8660 OH2 TIP3W6982 50.075 45.648 17.096 1.00 0.00 WT1 O ATOM 8661 H1 TIP3W6982 49.924 45.245 16.151 1.00 0.00 WT1 H ATOM 8662 H2 TIP3W6982 49.209 45.900 17.485 1.00 0.00 WT1 H ATOM 8663 OH2 TIP3W6986 44.412 44.508 12.838 1.00 0.00 WT1 O ATOM 8664 H1 TIP3W6986 43.917 44.162 12.072 1.00 0.00 WT1 H ATOM 8665 H2 TIP3W6986 44.227 45.426 12.802 1.00 0.00 WT1 H ATOM 8666 OH2 TIP3W7001 49.224 0.260 2.910 1.00 0.00 WT1 O ATOM 8667 H1 TIP3W7001 48.433 -0.177 2.522 1.00 0.00 WT1 H ATOM 8668 H2 TIP3W7001 49.893 -0.452 2.919 1.00 0.00 WT1 H ATOM 8669 OH2 TIP3W7011 48.885 49.181 -17.905 1.00 0.00 WT1 O ATOM 8670 H1 TIP3W7011 49.735 49.603 -18.121 1.00 0.00 WT1 H ATOM 8671 H2 TIP3W7011 48.680 49.541 -17.020 1.00 0.00 WT1 H ATOM 8672 OH2 TIP3W7017 40.377 -0.229 -19.447 1.00 0.00 WT1 O ATOM 8673 H1 TIP3W7017 39.829 -0.070 -20.268 1.00 0.00 WT1 H ATOM 8674 H2 TIP3W7017 41.226 0.069 -19.731 1.00 0.00 WT1 H ATOM 8675 OH2 TIP3W7019 46.424 9.254 -12.662 1.00 0.00 WT1 O ATOM 8676 H1 TIP3W7019 46.657 10.154 -12.976 1.00 0.00 WT1 H ATOM 8677 H2 TIP3W7019 45.508 9.262 -12.305 1.00 0.00 WT1 H ATOM 8678 OH2 TIP3W7021 43.839 9.129 -0.124 1.00 0.00 WT1 O ATOM 8679 H1 TIP3W7021 43.721 9.943 0.327 1.00 0.00 WT1 H ATOM 8680 H2 TIP3W7021 44.126 9.474 -1.071 1.00 0.00 WT1 H ATOM 8681 OH2 TIP3W7023 51.048 0.087 -8.350 1.00 0.00 WT1 O ATOM 8682 H1 TIP3W7023 51.141 0.496 -7.502 1.00 0.00 WT1 H ATOM 8683 H2 TIP3W7023 50.631 -0.704 -8.102 1.00 0.00 WT1 H ATOM 8684 OH2 TIP3W7027 5.027 -0.048 13.804 1.00 0.00 WT1 O ATOM 8685 H1 TIP3W7027 5.857 -0.568 13.896 1.00 0.00 WT1 H ATOM 8686 H2 TIP3W7027 4.857 0.194 14.690 1.00 0.00 WT1 H ATOM 8687 OH2 TIP3W7029 49.271 1.918 21.507 1.00 0.00 WT1 O ATOM 8688 H1 TIP3W7029 48.306 2.021 21.754 1.00 0.00 WT1 H ATOM 8689 H2 TIP3W7029 49.524 1.166 22.070 1.00 0.00 WT1 H ATOM 8690 OH2 TIP3W7041 42.143 9.952 -7.876 1.00 0.00 WT1 O ATOM 8691 H1 TIP3W7041 41.782 9.235 -8.442 1.00 0.00 WT1 H ATOM 8692 H2 TIP3W7041 42.600 9.458 -7.209 1.00 0.00 WT1 H ATOM 8693 OH2 TIP3W7045 46.878 48.405 2.189 1.00 0.00 WT1 O ATOM 8694 H1 TIP3W7045 45.917 48.151 2.403 1.00 0.00 WT1 H ATOM 8695 H2 TIP3W7045 47.422 48.201 2.987 1.00 0.00 WT1 H ATOM 8696 OH2 TIP3W7050 50.734 7.794 22.231 1.00 0.00 WT1 O ATOM 8697 H1 TIP3W7050 49.882 7.314 22.556 1.00 0.00 WT1 H ATOM 8698 H2 TIP3W7050 50.475 8.705 22.432 1.00 0.00 WT1 H ATOM 8699 OH2 TIP3W7052 39.089 13.742 -13.739 1.00 0.00 WT1 O ATOM 8700 H1 TIP3W7052 39.508 13.363 -13.006 1.00 0.00 WT1 H ATOM 8701 H2 TIP3W7052 38.767 12.953 -14.220 1.00 0.00 WT1 H ATOM 8702 OH2 TIP3W7066 49.993 45.572 -4.992 1.00 0.00 WT1 O ATOM 8703 H1 TIP3W7066 50.538 45.126 -4.369 1.00 0.00 WT1 H ATOM 8704 H2 TIP3W7066 49.186 45.617 -4.503 1.00 0.00 WT1 H ATOM 8705 OH2 TIP3W7067 43.519 3.274 15.530 1.00 0.00 WT1 O ATOM 8706 H1 TIP3W7067 44.430 2.911 15.635 1.00 0.00 WT1 H ATOM 8707 H2 TIP3W7067 43.243 3.201 16.455 1.00 0.00 WT1 H ATOM 8708 OH2 TIP3W7068 37.790 6.778 10.320 1.00 0.00 WT1 O ATOM 8709 H1 TIP3W7068 37.883 7.621 9.799 1.00 0.00 WT1 H ATOM 8710 H2 TIP3W7068 38.717 6.446 10.363 1.00 0.00 WT1 H ATOM 8711 OH2 TIP3W7078 37.963 19.944 -17.305 1.00 0.00 WT1 O ATOM 8712 H1 TIP3W7078 38.012 19.408 -18.092 1.00 0.00 WT1 H ATOM 8713 H2 TIP3W7078 37.198 19.604 -16.838 1.00 0.00 WT1 H ATOM 8714 OH2 TIP3W7083 51.737 -0.451 0.973 1.00 0.00 WT1 O ATOM 8715 H1 TIP3W7083 52.154 0.413 1.208 1.00 0.00 WT1 H ATOM 8716 H2 TIP3W7083 52.300 -1.031 1.442 1.00 0.00 WT1 H ATOM 8717 OH2 TIP3W7085 51.835 5.344 4.542 1.00 0.00 WT1 O ATOM 8718 H1 TIP3W7085 51.220 4.770 4.062 1.00 0.00 WT1 H ATOM 8719 H2 TIP3W7085 51.330 6.219 4.688 1.00 0.00 WT1 H ATOM 8720 OH2 TIP3W7099 46.676 24.458 19.543 1.00 0.00 WT1 O ATOM 8721 H1 TIP3W7099 47.406 24.814 20.068 1.00 0.00 WT1 H ATOM 8722 H2 TIP3W7099 47.046 23.728 18.991 1.00 0.00 WT1 H ATOM 8723 OH2 TIP3W7105 46.305 2.161 3.493 1.00 0.00 WT1 O ATOM 8724 H1 TIP3W7105 45.897 2.768 4.125 1.00 0.00 WT1 H ATOM 8725 H2 TIP3W7105 47.206 2.473 3.288 1.00 0.00 WT1 H ATOM 8726 OH2 TIP3W7109 36.053 13.317 21.752 1.00 0.00 WT1 O ATOM 8727 H1 TIP3W7109 35.625 12.679 22.362 1.00 0.00 WT1 H ATOM 8728 H2 TIP3W7109 36.822 12.817 21.499 1.00 0.00 WT1 H ATOM 8729 OH2 TIP3W7121 42.125 5.144 -7.839 1.00 0.00 WT1 O ATOM 8730 H1 TIP3W7121 41.285 5.672 -7.895 1.00 0.00 WT1 H ATOM 8731 H2 TIP3W7121 42.833 5.707 -7.721 1.00 0.00 WT1 H ATOM 8732 OH2 TIP3W7122 47.607 0.570 -10.969 1.00 0.00 WT1 O ATOM 8733 H1 TIP3W7122 47.172 1.344 -10.467 1.00 0.00 WT1 H ATOM 8734 H2 TIP3W7122 48.584 0.763 -10.717 1.00 0.00 WT1 H ATOM 8735 OH2 TIP3W7123 43.905 14.962 -6.090 1.00 0.00 WT1 O ATOM 8736 H1 TIP3W7123 44.838 14.850 -6.107 1.00 0.00 WT1 H ATOM 8737 H2 TIP3W7123 43.772 15.442 -5.252 1.00 0.00 WT1 H ATOM 8738 OH2 TIP3W7125 45.637 29.789 0.275 1.00 0.00 WT1 O ATOM 8739 H1 TIP3W7125 45.564 30.741 0.521 1.00 0.00 WT1 H ATOM 8740 H2 TIP3W7125 45.849 29.855 -0.680 1.00 0.00 WT1 H ATOM 8741 OH2 TIP3W7126 48.621 11.420 2.445 1.00 0.00 WT1 O ATOM 8742 H1 TIP3W7126 48.942 11.379 1.562 1.00 0.00 WT1 H ATOM 8743 H2 TIP3W7126 49.398 11.678 2.990 1.00 0.00 WT1 H ATOM 8744 OH2 TIP3W7127 50.708 23.861 14.096 1.00 0.00 WT1 O ATOM 8745 H1 TIP3W7127 49.857 24.000 13.622 1.00 0.00 WT1 H ATOM 8746 H2 TIP3W7127 51.333 24.133 13.379 1.00 0.00 WT1 H ATOM 8747 OH2 TIP3W7130 42.275 7.482 16.232 1.00 0.00 WT1 O ATOM 8748 H1 TIP3W7130 42.037 8.091 15.499 1.00 0.00 WT1 H ATOM 8749 H2 TIP3W7130 42.340 8.003 16.974 1.00 0.00 WT1 H ATOM 8750 OH2 TIP3W7132 46.259 0.757 0.993 1.00 0.00 WT1 O ATOM 8751 H1 TIP3W7132 46.917 1.351 0.641 1.00 0.00 WT1 H ATOM 8752 H2 TIP3W7132 46.210 1.009 1.912 1.00 0.00 WT1 H ATOM 8753 OH2 TIP3W7133 7.885 16.147 13.626 1.00 0.00 WT1 O ATOM 8754 H1 TIP3W7133 8.838 16.169 13.438 1.00 0.00 WT1 H ATOM 8755 H2 TIP3W7133 7.605 15.313 13.231 1.00 0.00 WT1 H ATOM 8756 OH2 TIP3W7145 48.618 20.254 -18.767 1.00 0.00 WT1 O ATOM 8757 H1 TIP3W7145 48.083 20.413 -19.512 1.00 0.00 WT1 H ATOM 8758 H2 TIP3W7145 48.796 21.150 -18.484 1.00 0.00 WT1 H ATOM 8759 OH2 TIP3W7147 40.476 24.926 -15.117 1.00 0.00 WT1 O ATOM 8760 H1 TIP3W7147 39.638 25.100 -14.688 1.00 0.00 WT1 H ATOM 8761 H2 TIP3W7147 41.059 25.688 -14.792 1.00 0.00 WT1 H ATOM 8762 OH2 TIP3W7151 51.748 7.838 6.416 1.00 0.00 WT1 O ATOM 8763 H1 TIP3W7151 51.571 8.707 6.790 1.00 0.00 WT1 H ATOM 8764 H2 TIP3W7151 50.831 7.438 6.368 1.00 0.00 WT1 H ATOM 8765 OH2 TIP3W7154 49.855 5.645 15.897 1.00 0.00 WT1 O ATOM 8766 H1 TIP3W7154 50.506 6.100 16.515 1.00 0.00 WT1 H ATOM 8767 H2 TIP3W7154 50.374 5.335 15.178 1.00 0.00 WT1 H ATOM 8768 OH2 TIP3W7166 48.848 12.059 -8.704 1.00 0.00 WT1 O ATOM 8769 H1 TIP3W7166 48.044 12.249 -9.207 1.00 0.00 WT1 H ATOM 8770 H2 TIP3W7166 48.441 12.158 -7.804 1.00 0.00 WT1 H ATOM 8771 OH2 TIP3W7168 47.577 14.186 8.575 1.00 0.00 WT1 O ATOM 8772 H1 TIP3W7168 47.694 14.139 7.576 1.00 0.00 WT1 H ATOM 8773 H2 TIP3W7168 47.032 13.417 8.836 1.00 0.00 WT1 H ATOM 8774 OH2 TIP3W7170 41.738 21.367 12.579 1.00 0.00 WT1 O ATOM 8775 H1 TIP3W7170 41.943 21.940 13.318 1.00 0.00 WT1 H ATOM 8776 H2 TIP3W7170 40.830 21.488 12.421 1.00 0.00 WT1 H ATOM 8777 OH2 TIP3W7171 47.219 10.988 12.203 1.00 0.00 WT1 O ATOM 8778 H1 TIP3W7171 47.359 10.505 11.336 1.00 0.00 WT1 H ATOM 8779 H2 TIP3W7171 48.107 11.117 12.420 1.00 0.00 WT1 H ATOM 8780 OH2 TIP3W7173 50.535 20.582 17.447 1.00 0.00 WT1 O ATOM 8781 H1 TIP3W7173 50.844 20.447 18.363 1.00 0.00 WT1 H ATOM 8782 H2 TIP3W7173 50.092 19.718 17.298 1.00 0.00 WT1 H ATOM 8783 OH2 TIP3W7174 43.530 5.583 14.010 1.00 0.00 WT1 O ATOM 8784 H1 TIP3W7174 42.987 6.153 14.594 1.00 0.00 WT1 H ATOM 8785 H2 TIP3W7174 43.632 4.813 14.550 1.00 0.00 WT1 H ATOM 8786 OH2 TIP3W7176 46.985 2.155 10.275 1.00 0.00 WT1 O ATOM 8787 H1 TIP3W7176 47.627 1.739 10.827 1.00 0.00 WT1 H ATOM 8788 H2 TIP3W7176 47.101 1.632 9.482 1.00 0.00 WT1 H ATOM 8789 OH2 TIP3W7182 44.485 13.626 -21.379 1.00 0.00 WT1 O ATOM 8790 H1 TIP3W7182 43.560 13.794 -21.172 1.00 0.00 WT1 H ATOM 8791 H2 TIP3W7182 44.914 14.033 -20.646 1.00 0.00 WT1 H ATOM 8792 OH2 TIP3W7185 43.942 16.214 -16.824 1.00 0.00 WT1 O ATOM 8793 H1 TIP3W7185 44.325 15.942 -16.006 1.00 0.00 WT1 H ATOM 8794 H2 TIP3W7185 42.981 16.439 -16.596 1.00 0.00 WT1 H ATOM 8795 OH2 TIP3W7193 48.493 15.720 19.469 1.00 0.00 WT1 O ATOM 8796 H1 TIP3W7193 48.274 16.405 18.805 1.00 0.00 WT1 H ATOM 8797 H2 TIP3W7193 48.248 16.204 20.263 1.00 0.00 WT1 H ATOM 8798 OH2 TIP3W7196 12.136 19.389 18.079 1.00 0.00 WT1 O ATOM 8799 H1 TIP3W7196 11.531 19.635 18.745 1.00 0.00 WT1 H ATOM 8800 H2 TIP3W7196 11.967 18.482 17.933 1.00 0.00 WT1 H ATOM 8801 OH2 TIP3W7198 45.268 24.573 17.288 1.00 0.00 WT1 O ATOM 8802 H1 TIP3W7198 45.882 24.277 16.489 1.00 0.00 WT1 H ATOM 8803 H2 TIP3W7198 45.876 24.658 18.072 1.00 0.00 WT1 H ATOM 8804 OH2 TIP3W7203 44.806 26.688 -16.191 1.00 0.00 WT1 O ATOM 8805 H1 TIP3W7203 45.166 26.096 -16.912 1.00 0.00 WT1 H ATOM 8806 H2 TIP3W7203 45.614 26.884 -15.646 1.00 0.00 WT1 H ATOM 8807 OH2 TIP3W7209 50.653 20.098 -11.293 1.00 0.00 WT1 O ATOM 8808 H1 TIP3W7209 49.737 19.818 -11.045 1.00 0.00 WT1 H ATOM 8809 H2 TIP3W7209 50.545 21.078 -11.012 1.00 0.00 WT1 H ATOM 8810 OH2 TIP3W7210 45.325 18.561 -11.507 1.00 0.00 WT1 O ATOM 8811 H1 TIP3W7210 44.776 18.237 -10.790 1.00 0.00 WT1 H ATOM 8812 H2 TIP3W7210 44.781 18.247 -12.295 1.00 0.00 WT1 H ATOM 8813 OH2 TIP3W7211 51.124 17.696 -2.329 1.00 0.00 WT1 O ATOM 8814 H1 TIP3W7211 51.234 18.448 -1.748 1.00 0.00 WT1 H ATOM 8815 H2 TIP3W7211 52.004 17.237 -2.211 1.00 0.00 WT1 H ATOM 8816 OH2 TIP3W7215 35.555 22.291 19.768 1.00 0.00 WT1 O ATOM 8817 H1 TIP3W7215 36.206 22.122 19.052 1.00 0.00 WT1 H ATOM 8818 H2 TIP3W7215 34.988 21.490 19.759 1.00 0.00 WT1 H ATOM 8819 OH2 TIP3W7216 47.684 21.447 9.560 1.00 0.00 WT1 O ATOM 8820 H1 TIP3W7216 47.464 20.480 9.554 1.00 0.00 WT1 H ATOM 8821 H2 TIP3W7216 48.508 21.409 9.069 1.00 0.00 WT1 H ATOM 8822 OH2 TIP3W7222 10.565 8.372 -21.430 1.00 0.00 WT1 O ATOM 8823 H1 TIP3W7222 11.264 7.691 -21.123 1.00 0.00 WT1 H ATOM 8824 H2 TIP3W7222 9.769 7.834 -21.598 1.00 0.00 WT1 H ATOM 8825 OH2 TIP3W7228 49.480 15.697 -1.314 1.00 0.00 WT1 O ATOM 8826 H1 TIP3W7228 49.983 14.887 -1.430 1.00 0.00 WT1 H ATOM 8827 H2 TIP3W7228 50.103 16.408 -1.633 1.00 0.00 WT1 H ATOM 8828 OH2 TIP3W7231 42.922 23.357 17.411 1.00 0.00 WT1 O ATOM 8829 H1 TIP3W7231 43.864 23.578 17.320 1.00 0.00 WT1 H ATOM 8830 H2 TIP3W7231 42.845 23.237 18.385 1.00 0.00 WT1 H ATOM 8831 OH2 TIP3W7238 50.729 13.323 13.398 1.00 0.00 WT1 O ATOM 8832 H1 TIP3W7238 51.594 13.013 13.551 1.00 0.00 WT1 H ATOM 8833 H2 TIP3W7238 50.590 13.947 14.143 1.00 0.00 WT1 H ATOM 8834 OH2 TIP3W7246 51.420 41.997 -20.766 1.00 0.00 WT1 O ATOM 8835 H1 TIP3W7246 52.275 42.284 -20.276 1.00 0.00 WT1 H ATOM 8836 H2 TIP3W7246 51.229 41.131 -20.378 1.00 0.00 WT1 H ATOM 8837 OH2 TIP3W7248 51.677 29.342 -9.198 1.00 0.00 WT1 O ATOM 8838 H1 TIP3W7248 50.852 29.061 -8.725 1.00 0.00 WT1 H ATOM 8839 H2 TIP3W7248 52.278 28.714 -8.890 1.00 0.00 WT1 H ATOM 8840 OH2 TIP3W7251 51.274 32.387 -1.426 1.00 0.00 WT1 O ATOM 8841 H1 TIP3W7251 50.388 32.731 -1.261 1.00 0.00 WT1 H ATOM 8842 H2 TIP3W7251 51.742 33.003 -2.054 1.00 0.00 WT1 H ATOM 8843 OH2 TIP3W7253 49.076 23.776 -12.306 1.00 0.00 WT1 O ATOM 8844 H1 TIP3W7253 49.327 23.631 -13.279 1.00 0.00 WT1 H ATOM 8845 H2 TIP3W7253 48.261 24.297 -12.390 1.00 0.00 WT1 H ATOM 8846 OH2 TIP3W7257 37.067 24.417 17.981 1.00 0.00 WT1 O ATOM 8847 H1 TIP3W7257 37.276 25.153 18.483 1.00 0.00 WT1 H ATOM 8848 H2 TIP3W7257 37.362 23.652 18.465 1.00 0.00 WT1 H ATOM 8849 OH2 TIP3W7259 51.284 18.588 9.785 1.00 0.00 WT1 O ATOM 8850 H1 TIP3W7259 51.202 19.267 9.078 1.00 0.00 WT1 H ATOM 8851 H2 TIP3W7259 52.167 18.856 10.181 1.00 0.00 WT1 H ATOM 8852 OH2 TIP3W7260 50.346 19.378 13.409 1.00 0.00 WT1 O ATOM 8853 H1 TIP3W7260 50.890 18.933 12.752 1.00 0.00 WT1 H ATOM 8854 H2 TIP3W7260 49.502 18.865 13.324 1.00 0.00 WT1 H ATOM 8855 OH2 TIP3W7262 44.705 23.698 21.965 1.00 0.00 WT1 O ATOM 8856 H1 TIP3W7262 44.345 22.809 22.067 1.00 0.00 WT1 H ATOM 8857 H2 TIP3W7262 45.378 23.554 21.344 1.00 0.00 WT1 H ATOM 8858 OH2 TIP3W7271 42.850 49.485 -8.817 1.00 0.00 WT1 O ATOM 8859 H1 TIP3W7271 43.312 50.121 -9.357 1.00 0.00 WT1 H ATOM 8860 H2 TIP3W7271 42.615 48.788 -9.455 1.00 0.00 WT1 H ATOM 8861 OH2 TIP3W7272 49.814 32.375 -11.775 1.00 0.00 WT1 O ATOM 8862 H1 TIP3W7272 50.532 31.776 -11.445 1.00 0.00 WT1 H ATOM 8863 H2 TIP3W7272 49.066 32.066 -11.278 1.00 0.00 WT1 H ATOM 8864 OH2 TIP3W7274 43.773 46.916 7.969 1.00 0.00 WT1 O ATOM 8865 H1 TIP3W7274 43.191 47.666 8.182 1.00 0.00 WT1 H ATOM 8866 H2 TIP3W7274 44.329 46.721 8.754 1.00 0.00 WT1 H ATOM 8867 OH2 TIP3W7279 50.115 33.741 16.062 1.00 0.00 WT1 O ATOM 8868 H1 TIP3W7279 49.595 33.506 16.895 1.00 0.00 WT1 H ATOM 8869 H2 TIP3W7279 50.705 33.006 16.014 1.00 0.00 WT1 H ATOM 8870 OH2 TIP3W7280 50.543 15.029 15.510 1.00 0.00 WT1 O ATOM 8871 H1 TIP3W7280 51.386 15.477 15.405 1.00 0.00 WT1 H ATOM 8872 H2 TIP3W7280 50.562 14.808 16.443 1.00 0.00 WT1 H ATOM 8873 OH2 TIP3W7295 5.161 21.216 4.485 1.00 0.00 WT1 O ATOM 8874 H1 TIP3W7295 5.397 20.406 4.041 1.00 0.00 WT1 H ATOM 8875 H2 TIP3W7295 4.551 20.938 5.192 1.00 0.00 WT1 H ATOM 8876 OH2 TIP3W7296 35.016 41.886 4.810 1.00 0.00 WT1 O ATOM 8877 H1 TIP3W7296 34.077 42.237 4.682 1.00 0.00 WT1 H ATOM 8878 H2 TIP3W7296 35.051 41.494 5.683 1.00 0.00 WT1 H ATOM 8879 OH2 TIP3W7298 49.975 30.751 6.958 1.00 0.00 WT1 O ATOM 8880 H1 TIP3W7298 49.005 30.663 6.932 1.00 0.00 WT1 H ATOM 8881 H2 TIP3W7298 50.113 31.411 7.619 1.00 0.00 WT1 H ATOM 8882 OH2 TIP3W7300 49.720 30.703 17.261 1.00 0.00 WT1 O ATOM 8883 H1 TIP3W7300 50.088 30.704 16.403 1.00 0.00 WT1 H ATOM 8884 H2 TIP3W7300 50.127 29.863 17.639 1.00 0.00 WT1 H ATOM 8885 OH2 TIP3W7303 50.590 42.061 16.747 1.00 0.00 WT1 O ATOM 8886 H1 TIP3W7303 50.140 41.284 17.145 1.00 0.00 WT1 H ATOM 8887 H2 TIP3W7303 50.040 42.244 15.967 1.00 0.00 WT1 H ATOM 8888 OH2 TIP3W7305 48.073 22.645 18.063 1.00 0.00 WT1 O ATOM 8889 H1 TIP3W7305 48.620 21.871 18.389 1.00 0.00 WT1 H ATOM 8890 H2 TIP3W7305 48.410 22.784 17.156 1.00 0.00 WT1 H ATOM 8891 OH2 TIP3W7312 47.085 25.361 -2.947 1.00 0.00 WT1 O ATOM 8892 H1 TIP3W7312 46.201 25.673 -2.842 1.00 0.00 WT1 H ATOM 8893 H2 TIP3W7312 47.491 25.613 -2.077 1.00 0.00 WT1 H ATOM 8894 OH2 TIP3W7314 46.068 31.502 -9.133 1.00 0.00 WT1 O ATOM 8895 H1 TIP3W7314 46.264 31.104 -8.308 1.00 0.00 WT1 H ATOM 8896 H2 TIP3W7314 45.585 32.282 -8.903 1.00 0.00 WT1 H ATOM 8897 OH2 TIP3W7316 45.993 38.931 7.408 1.00 0.00 WT1 O ATOM 8898 H1 TIP3W7316 45.714 38.224 8.051 1.00 0.00 WT1 H ATOM 8899 H2 TIP3W7316 46.548 38.425 6.813 1.00 0.00 WT1 H ATOM 8900 OH2 TIP3W7317 51.261 39.745 18.478 1.00 0.00 WT1 O ATOM 8901 H1 TIP3W7317 50.828 39.928 19.358 1.00 0.00 WT1 H ATOM 8902 H2 TIP3W7317 51.598 38.859 18.593 1.00 0.00 WT1 H ATOM 8903 OH2 TIP3W7321 46.394 48.242 19.952 1.00 0.00 WT1 O ATOM 8904 H1 TIP3W7321 45.877 48.637 19.257 1.00 0.00 WT1 H ATOM 8905 H2 TIP3W7321 46.553 48.921 20.675 1.00 0.00 WT1 H ATOM 8906 OH2 TIP3W7326 51.191 30.964 15.053 1.00 0.00 WT1 O ATOM 8907 H1 TIP3W7326 52.044 30.515 15.276 1.00 0.00 WT1 H ATOM 8908 H2 TIP3W7326 50.936 30.521 14.227 1.00 0.00 WT1 H ATOM 8909 OH2 TIP3W7331 47.531 35.516 -2.281 1.00 0.00 WT1 O ATOM 8910 H1 TIP3W7331 47.139 36.153 -1.722 1.00 0.00 WT1 H ATOM 8911 H2 TIP3W7331 46.758 35.086 -2.720 1.00 0.00 WT1 H ATOM 8912 OH2 TIP3W7333 48.881 39.822 -4.542 1.00 0.00 WT1 O ATOM 8913 H1 TIP3W7333 48.262 40.183 -3.926 1.00 0.00 WT1 H ATOM 8914 H2 TIP3W7333 49.670 39.658 -3.999 1.00 0.00 WT1 H ATOM 8915 OH2 TIP3W7335 43.105 37.785 -10.939 1.00 0.00 WT1 O ATOM 8916 H1 TIP3W7335 43.511 38.410 -11.531 1.00 0.00 WT1 H ATOM 8917 H2 TIP3W7335 42.903 37.039 -11.530 1.00 0.00 WT1 H ATOM 8918 OH2 TIP3W7351 41.758 47.744 -16.130 1.00 0.00 WT1 O ATOM 8919 H1 TIP3W7351 42.202 48.247 -16.865 1.00 0.00 WT1 H ATOM 8920 H2 TIP3W7351 40.888 47.972 -16.273 1.00 0.00 WT1 H ATOM 8921 OH2 TIP3W7352 42.003 32.512 -9.044 1.00 0.00 WT1 O ATOM 8922 H1 TIP3W7352 42.646 32.741 -8.299 1.00 0.00 WT1 H ATOM 8923 H2 TIP3W7352 41.271 33.088 -8.849 1.00 0.00 WT1 H ATOM 8924 OH2 TIP3W7353 51.547 46.177 -16.855 1.00 0.00 WT1 O ATOM 8925 H1 TIP3W7353 52.141 45.438 -16.671 1.00 0.00 WT1 H ATOM 8926 H2 TIP3W7353 51.436 46.587 -16.016 1.00 0.00 WT1 H ATOM 8927 OH2 TIP3W7355 48.129 43.763 -3.416 1.00 0.00 WT1 O ATOM 8928 H1 TIP3W7355 48.027 44.605 -3.020 1.00 0.00 WT1 H ATOM 8929 H2 TIP3W7355 49.101 43.679 -3.394 1.00 0.00 WT1 H ATOM 8930 OH2 TIP3W7361 49.728 40.398 8.743 1.00 0.00 WT1 O ATOM 8931 H1 TIP3W7361 48.933 40.092 9.227 1.00 0.00 WT1 H ATOM 8932 H2 TIP3W7361 50.170 40.835 9.436 1.00 0.00 WT1 H ATOM 8933 OH2 TIP3W7374 39.095 33.176 -13.101 1.00 0.00 WT1 O ATOM 8934 H1 TIP3W7374 39.135 32.801 -13.993 1.00 0.00 WT1 H ATOM 8935 H2 TIP3W7374 38.300 32.787 -12.704 1.00 0.00 WT1 H ATOM 8936 OH2 TIP3W7379 50.877 47.720 -11.851 1.00 0.00 WT1 O ATOM 8937 H1 TIP3W7379 50.005 48.070 -11.576 1.00 0.00 WT1 H ATOM 8938 H2 TIP3W7379 51.330 47.357 -11.076 1.00 0.00 WT1 H ATOM 8939 OH2 TIP3W7395 42.957 35.386 -12.508 1.00 0.00 WT1 O ATOM 8940 H1 TIP3W7395 43.509 34.663 -12.802 1.00 0.00 WT1 H ATOM 8941 H2 TIP3W7395 42.265 35.032 -11.988 1.00 0.00 WT1 H ATOM 8942 OH2 TIP3W7396 47.126 47.012 -5.669 1.00 0.00 WT1 O ATOM 8943 H1 TIP3W7396 46.373 47.574 -5.429 1.00 0.00 WT1 H ATOM 8944 H2 TIP3W7396 46.644 46.215 -5.854 1.00 0.00 WT1 H ATOM 8945 OH2 TIP3W7398 43.705 -0.895 0.105 1.00 0.00 WT1 O ATOM 8946 H1 TIP3W7398 44.646 -0.545 0.018 1.00 0.00 WT1 H ATOM 8947 H2 TIP3W7398 43.460 -1.082 -0.818 1.00 0.00 WT1 H ATOM 8948 OH2 TIP3W7399 51.290 43.772 -11.219 1.00 0.00 WT1 O ATOM 8949 H1 TIP3W7399 52.110 43.874 -11.726 1.00 0.00 WT1 H ATOM 8950 H2 TIP3W7399 50.874 42.992 -11.749 1.00 0.00 WT1 H ATOM 8951 OH2 TIP3W7400 48.800 48.885 -6.362 1.00 0.00 WT1 O ATOM 8952 H1 TIP3W7400 48.235 48.098 -6.230 1.00 0.00 WT1 H ATOM 8953 H2 TIP3W7400 48.694 49.158 -7.311 1.00 0.00 WT1 H ATOM 8954 OH2 TIP3W7405 41.261 48.557 8.270 1.00 0.00 WT1 O ATOM 8955 H1 TIP3W7405 40.340 48.183 8.123 1.00 0.00 WT1 H ATOM 8956 H2 TIP3W7405 41.087 49.465 8.165 1.00 0.00 WT1 H ATOM 8957 OH2 TIP3W7437 40.947 2.532 -8.621 1.00 0.00 WT1 O ATOM 8958 H1 TIP3W7437 41.392 3.320 -8.248 1.00 0.00 WT1 H ATOM 8959 H2 TIP3W7437 41.433 2.482 -9.511 1.00 0.00 WT1 H ATOM 8960 OH2 TIP3W7444 47.672 39.955 10.623 1.00 0.00 WT1 O ATOM 8961 H1 TIP3W7444 48.200 40.407 11.271 1.00 0.00 WT1 H ATOM 8962 H2 TIP3W7444 47.362 39.216 11.127 1.00 0.00 WT1 H ATOM 8963 OH2 TIP3W7479 10.450 2.239 -18.090 1.00 0.00 WT1 O ATOM 8964 H1 TIP3W7479 11.042 2.407 -18.845 1.00 0.00 WT1 H ATOM 8965 H2 TIP3W7479 11.117 1.978 -17.416 1.00 0.00 WT1 H ATOM 8966 OH2 TIP3W7481 46.505 -1.089 -2.746 1.00 0.00 WT1 O ATOM 8967 H1 TIP3W7481 46.141 -1.115 -3.659 1.00 0.00 WT1 H ATOM 8968 H2 TIP3W7481 47.299 -0.504 -2.841 1.00 0.00 WT1 H ATOM 8969 OH2 TIP3W7501 37.786 3.410 -12.933 1.00 0.00 WT1 O ATOM 8970 H1 TIP3W7501 38.206 3.230 -12.119 1.00 0.00 WT1 H ATOM 8971 H2 TIP3W7501 37.539 2.496 -13.123 1.00 0.00 WT1 H ATOM 8972 OH2 TIP3W7503 49.822 15.604 -10.697 1.00 0.00 WT1 O ATOM 8973 H1 TIP3W7503 50.744 15.898 -10.867 1.00 0.00 WT1 H ATOM 8974 H2 TIP3W7503 49.290 16.252 -11.172 1.00 0.00 WT1 H ATOM 8975 OH2 TIP3W7504 52.105 1.239 -2.770 1.00 0.00 WT1 O ATOM 8976 H1 TIP3W7504 51.502 0.583 -2.332 1.00 0.00 WT1 H ATOM 8977 H2 TIP3W7504 51.613 2.048 -2.892 1.00 0.00 WT1 H ATOM 8978 OH2 TIP3W7510 9.460 10.255 -9.800 1.00 0.00 WT1 O ATOM 8979 H1 TIP3W7510 9.622 11.211 -9.774 1.00 0.00 WT1 H ATOM 8980 H2 TIP3W7510 9.924 9.975 -9.016 1.00 0.00 WT1 H ATOM 8981 OH2 TIP3W7527 51.289 7.675 2.019 1.00 0.00 WT1 O ATOM 8982 H1 TIP3W7527 50.883 7.918 1.104 1.00 0.00 WT1 H ATOM 8983 H2 TIP3W7527 51.937 6.983 1.732 1.00 0.00 WT1 H ATOM 8984 OH2 TIP3W7529 50.990 11.686 20.225 1.00 0.00 WT1 O ATOM 8985 H1 TIP3W7529 50.829 11.365 21.086 1.00 0.00 WT1 H ATOM 8986 H2 TIP3W7529 51.969 11.919 20.245 1.00 0.00 WT1 H ATOM 8987 OH2 TIP3W7532 5.317 6.977 16.043 1.00 0.00 WT1 O ATOM 8988 H1 TIP3W7532 5.908 6.364 15.575 1.00 0.00 WT1 H ATOM 8989 H2 TIP3W7532 5.463 6.715 16.971 1.00 0.00 WT1 H ATOM 8990 OH2 TIP3W7557 9.328 6.569 21.814 1.00 0.00 WT1 O ATOM 8991 H1 TIP3W7557 9.898 5.814 21.747 1.00 0.00 WT1 H ATOM 8992 H2 TIP3W7557 8.551 6.218 22.154 1.00 0.00 WT1 H ATOM 8993 OH2 TIP3W7563 9.506 17.874 -6.479 1.00 0.00 WT1 O ATOM 8994 H1 TIP3W7563 9.537 18.783 -6.852 1.00 0.00 WT1 H ATOM 8995 H2 TIP3W7563 9.562 17.290 -7.225 1.00 0.00 WT1 H ATOM 8996 OH2 TIP3W7568 7.991 5.914 2.032 1.00 0.00 WT1 O ATOM 8997 H1 TIP3W7568 7.890 6.037 2.970 1.00 0.00 WT1 H ATOM 8998 H2 TIP3W7568 7.941 6.831 1.706 1.00 0.00 WT1 H ATOM 8999 OH2 TIP3W7572 45.913 10.047 15.187 1.00 0.00 WT1 O ATOM 9000 H1 TIP3W7572 46.847 9.979 15.022 1.00 0.00 WT1 H ATOM 9001 H2 TIP3W7572 45.632 9.159 15.495 1.00 0.00 WT1 H ATOM 9002 OH2 TIP3W7590 51.121 24.001 2.068 1.00 0.00 WT1 O ATOM 9003 H1 TIP3W7590 50.226 23.766 1.996 1.00 0.00 WT1 H ATOM 9004 H2 TIP3W7590 51.156 24.785 2.729 1.00 0.00 WT1 H ATOM 9005 OH2 TIP3W7592 8.919 23.226 12.132 1.00 0.00 WT1 O ATOM 9006 H1 TIP3W7592 8.599 23.759 12.916 1.00 0.00 WT1 H ATOM 9007 H2 TIP3W7592 8.623 22.333 12.404 1.00 0.00 WT1 H ATOM 9008 OH2 TIP3W7597 44.315 14.827 20.714 1.00 0.00 WT1 O ATOM 9009 H1 TIP3W7597 45.199 14.981 20.981 1.00 0.00 WT1 H ATOM 9010 H2 TIP3W7597 44.366 15.320 19.879 1.00 0.00 WT1 H ATOM 9011 OH2 TIP3W7603 8.956 35.275 -16.255 1.00 0.00 WT1 O ATOM 9012 H1 TIP3W7603 8.116 35.828 -16.382 1.00 0.00 WT1 H ATOM 9013 H2 TIP3W7603 9.406 35.461 -17.054 1.00 0.00 WT1 H ATOM 9014 OH2 TIP3W7605 10.997 23.423 -11.446 1.00 0.00 WT1 O ATOM 9015 H1 TIP3W7605 11.898 23.453 -11.065 1.00 0.00 WT1 H ATOM 9016 H2 TIP3W7605 11.154 23.202 -12.375 1.00 0.00 WT1 H ATOM 9017 OH2 TIP3W7612 44.284 12.623 -2.771 1.00 0.00 WT1 O ATOM 9018 H1 TIP3W7612 43.626 12.143 -3.322 1.00 0.00 WT1 H ATOM 9019 H2 TIP3W7612 43.712 12.999 -2.180 1.00 0.00 WT1 H ATOM 9020 OH2 TIP3W7617 47.969 15.912 15.386 1.00 0.00 WT1 O ATOM 9021 H1 TIP3W7617 47.619 16.140 14.503 1.00 0.00 WT1 H ATOM 9022 H2 TIP3W7617 48.646 15.310 15.217 1.00 0.00 WT1 H ATOM 9023 OH2 TIP3W7627 51.335 22.976 5.550 1.00 0.00 WT1 O ATOM 9024 H1 TIP3W7627 51.951 23.443 5.024 1.00 0.00 WT1 H ATOM 9025 H2 TIP3W7627 50.816 22.459 4.951 1.00 0.00 WT1 H ATOM 9026 OH2 TIP3W7630 6.489 12.034 -14.617 1.00 0.00 WT1 O ATOM 9027 H1 TIP3W7630 7.029 12.631 -14.057 1.00 0.00 WT1 H ATOM 9028 H2 TIP3W7630 5.950 11.591 -13.951 1.00 0.00 WT1 H ATOM 9029 OH2 TIP3W7631 6.236 20.009 -4.767 1.00 0.00 WT1 O ATOM 9030 H1 TIP3W7631 6.982 20.387 -5.249 1.00 0.00 WT1 H ATOM 9031 H2 TIP3W7631 6.708 19.482 -4.132 1.00 0.00 WT1 H ATOM 9032 OH2 TIP3W7634 7.624 10.521 11.474 1.00 0.00 WT1 O ATOM 9033 H1 TIP3W7634 7.491 10.907 10.579 1.00 0.00 WT1 H ATOM 9034 H2 TIP3W7634 8.376 9.970 11.215 1.00 0.00 WT1 H ATOM 9035 OH2 TIP3W7635 48.887 17.910 11.119 1.00 0.00 WT1 O ATOM 9036 H1 TIP3W7635 48.918 17.029 11.353 1.00 0.00 WT1 H ATOM 9037 H2 TIP3W7635 49.533 18.006 10.406 1.00 0.00 WT1 H ATOM 9038 OH2 TIP3W7638 12.943 28.259 22.568 1.00 0.00 WT1 O ATOM 9039 H1 TIP3W7638 12.410 27.514 22.443 1.00 0.00 WT1 H ATOM 9040 H2 TIP3W7638 12.831 28.774 21.760 1.00 0.00 WT1 H ATOM 9041 OH2 TIP3W7643 39.963 24.427 -17.840 1.00 0.00 WT1 O ATOM 9042 H1 TIP3W7643 40.266 24.753 -16.981 1.00 0.00 WT1 H ATOM 9043 H2 TIP3W7643 40.446 25.031 -18.436 1.00 0.00 WT1 H ATOM 9044 OH2 TIP3W7644 51.335 15.107 -15.731 1.00 0.00 WT1 O ATOM 9045 H1 TIP3W7644 51.988 15.804 -15.598 1.00 0.00 WT1 H ATOM 9046 H2 TIP3W7644 50.639 15.462 -16.313 1.00 0.00 WT1 H ATOM 9047 OH2 TIP3W7647 5.617 23.897 -11.661 1.00 0.00 WT1 O ATOM 9048 H1 TIP3W7647 6.562 24.033 -11.717 1.00 0.00 WT1 H ATOM 9049 H2 TIP3W7647 5.432 23.125 -12.322 1.00 0.00 WT1 H ATOM 9050 OH2 TIP3W7648 50.921 29.632 -5.549 1.00 0.00 WT1 O ATOM 9051 H1 TIP3W7648 50.635 30.587 -5.706 1.00 0.00 WT1 H ATOM 9052 H2 TIP3W7648 51.756 29.645 -6.027 1.00 0.00 WT1 H ATOM 9053 OH2 TIP3W7650 8.408 26.086 -17.353 1.00 0.00 WT1 O ATOM 9054 H1 TIP3W7650 8.179 25.397 -16.729 1.00 0.00 WT1 H ATOM 9055 H2 TIP3W7650 9.394 26.144 -17.201 1.00 0.00 WT1 H ATOM 9056 OH2 TIP3W7651 49.455 26.560 11.146 1.00 0.00 WT1 O ATOM 9057 H1 TIP3W7651 48.993 27.160 10.511 1.00 0.00 WT1 H ATOM 9058 H2 TIP3W7651 50.195 26.319 10.651 1.00 0.00 WT1 H ATOM 9059 OH2 TIP3W7661 7.350 14.396 15.983 1.00 0.00 WT1 O ATOM 9060 H1 TIP3W7661 6.862 15.207 15.682 1.00 0.00 WT1 H ATOM 9061 H2 TIP3W7661 6.584 13.782 16.366 1.00 0.00 WT1 H ATOM 9062 OH2 TIP3W7670 51.540 12.901 -19.709 1.00 0.00 WT1 O ATOM 9063 H1 TIP3W7670 51.729 13.282 -20.579 1.00 0.00 WT1 H ATOM 9064 H2 TIP3W7670 52.285 12.259 -19.495 1.00 0.00 WT1 H ATOM 9065 OH2 TIP3W7675 47.112 29.457 2.751 1.00 0.00 WT1 O ATOM 9066 H1 TIP3W7675 46.625 29.683 1.916 1.00 0.00 WT1 H ATOM 9067 H2 TIP3W7675 48.075 29.561 2.470 1.00 0.00 WT1 H ATOM 9068 OH2 TIP3W7676 11.343 10.055 10.173 1.00 0.00 WT1 O ATOM 9069 H1 TIP3W7676 12.239 9.901 10.498 1.00 0.00 WT1 H ATOM 9070 H2 TIP3W7676 10.855 9.330 10.532 1.00 0.00 WT1 H ATOM 9071 OH2 TIP3W7681 52.146 22.797 16.104 1.00 0.00 WT1 O ATOM 9072 H1 TIP3W7681 51.551 22.193 16.643 1.00 0.00 WT1 H ATOM 9073 H2 TIP3W7681 51.574 23.068 15.364 1.00 0.00 WT1 H ATOM 9074 OH2 TIP3W7682 51.975 24.435 11.765 1.00 0.00 WT1 O ATOM 9075 H1 TIP3W7682 51.528 23.632 11.546 1.00 0.00 WT1 H ATOM 9076 H2 TIP3W7682 51.965 24.983 10.943 1.00 0.00 WT1 H ATOM 9077 OH2 TIP3W7689 38.715 40.887 -14.823 1.00 0.00 WT1 O ATOM 9078 H1 TIP3W7689 38.665 40.382 -15.677 1.00 0.00 WT1 H ATOM 9079 H2 TIP3W7689 39.336 40.354 -14.260 1.00 0.00 WT1 H ATOM 9080 OH2 TIP3W7690 38.086 23.022 -16.191 1.00 0.00 WT1 O ATOM 9081 H1 TIP3W7690 38.431 23.227 -17.109 1.00 0.00 WT1 H ATOM 9082 H2 TIP3W7690 38.053 23.877 -15.739 1.00 0.00 WT1 H ATOM 9083 OH2 TIP3W7692 46.179 44.510 -6.480 1.00 0.00 WT1 O ATOM 9084 H1 TIP3W7692 46.451 44.860 -7.340 1.00 0.00 WT1 H ATOM 9085 H2 TIP3W7692 45.172 44.498 -6.487 1.00 0.00 WT1 H ATOM 9086 OH2 TIP3W7693 51.446 33.417 12.507 1.00 0.00 WT1 O ATOM 9087 H1 TIP3W7693 51.955 33.451 13.353 1.00 0.00 WT1 H ATOM 9088 H2 TIP3W7693 51.689 32.568 12.120 1.00 0.00 WT1 H ATOM 9089 OH2 TIP3W7695 51.794 22.649 -8.073 1.00 0.00 WT1 O ATOM 9090 H1 TIP3W7695 51.617 23.416 -7.493 1.00 0.00 WT1 H ATOM 9091 H2 TIP3W7695 51.248 22.755 -8.863 1.00 0.00 WT1 H ATOM 9092 OH2 TIP3W7698 46.603 14.840 -6.349 1.00 0.00 WT1 O ATOM 9093 H1 TIP3W7698 47.342 15.514 -6.464 1.00 0.00 WT1 H ATOM 9094 H2 TIP3W7698 47.030 14.257 -5.718 1.00 0.00 WT1 H ATOM 9095 OH2 TIP3W7700 48.567 28.165 13.796 1.00 0.00 WT1 O ATOM 9096 H1 TIP3W7700 48.235 28.759 14.516 1.00 0.00 WT1 H ATOM 9097 H2 TIP3W7700 48.212 28.559 12.954 1.00 0.00 WT1 H ATOM 9098 OH2 TIP3W7702 38.144 21.842 21.348 1.00 0.00 WT1 O ATOM 9099 H1 TIP3W7702 38.149 20.912 21.010 1.00 0.00 WT1 H ATOM 9100 H2 TIP3W7702 37.257 22.205 21.291 1.00 0.00 WT1 H ATOM 9101 OH2 TIP3W7705 51.994 25.233 -15.140 1.00 0.00 WT1 O ATOM 9102 H1 TIP3W7705 52.410 24.343 -15.098 1.00 0.00 WT1 H ATOM 9103 H2 TIP3W7705 51.412 25.111 -15.887 1.00 0.00 WT1 H ATOM 9104 OH2 TIP3W7707 4.998 1.351 -14.680 1.00 0.00 WT1 O ATOM 9105 H1 TIP3W7707 5.798 1.760 -15.091 1.00 0.00 WT1 H ATOM 9106 H2 TIP3W7707 4.363 1.999 -14.864 1.00 0.00 WT1 H ATOM 9107 OH2 TIP3W7711 45.309 31.563 -18.891 1.00 0.00 WT1 O ATOM 9108 H1 TIP3W7711 45.121 30.752 -18.481 1.00 0.00 WT1 H ATOM 9109 H2 TIP3W7711 45.409 32.160 -18.159 1.00 0.00 WT1 H ATOM 9110 OH2 TIP3W7713 52.625 27.775 -2.842 1.00 0.00 WT1 O ATOM 9111 H1 TIP3W7713 52.484 27.229 -3.607 1.00 0.00 WT1 H ATOM 9112 H2 TIP3W7713 51.976 27.500 -2.187 1.00 0.00 WT1 H ATOM 9113 OH2 TIP3W7715 7.217 37.025 0.213 1.00 0.00 WT1 O ATOM 9114 H1 TIP3W7715 6.859 36.856 1.104 1.00 0.00 WT1 H ATOM 9115 H2 TIP3W7715 7.713 37.919 0.306 1.00 0.00 WT1 H ATOM 9116 OH2 TIP3W7716 11.712 27.230 -11.433 1.00 0.00 WT1 O ATOM 9117 H1 TIP3W7716 10.919 27.723 -11.260 1.00 0.00 WT1 H ATOM 9118 H2 TIP3W7716 11.947 27.482 -12.308 1.00 0.00 WT1 H ATOM 9119 OH2 TIP3W7736 46.648 40.295 -1.543 1.00 0.00 WT1 O ATOM 9120 H1 TIP3W7736 46.563 39.469 -1.113 1.00 0.00 WT1 H ATOM 9121 H2 TIP3W7736 46.323 40.180 -2.429 1.00 0.00 WT1 H ATOM 9122 OH2 TIP3W7739 8.907 21.955 0.485 1.00 0.00 WT1 O ATOM 9123 H1 TIP3W7739 8.225 22.090 -0.190 1.00 0.00 WT1 H ATOM 9124 H2 TIP3W7739 8.722 22.712 1.063 1.00 0.00 WT1 H ATOM 9125 OH2 TIP3W7748 5.697 31.322 -19.942 1.00 0.00 WT1 O ATOM 9126 H1 TIP3W7748 6.549 31.327 -20.268 1.00 0.00 WT1 H ATOM 9127 H2 TIP3W7748 5.826 31.298 -18.994 1.00 0.00 WT1 H ATOM 9128 OH2 TIP3W7750 47.806 39.937 -18.731 1.00 0.00 WT1 O ATOM 9129 H1 TIP3W7750 48.370 39.990 -19.577 1.00 0.00 WT1 H ATOM 9130 H2 TIP3W7750 48.396 39.674 -18.078 1.00 0.00 WT1 H ATOM 9131 OH2 TIP3W7753 49.589 41.531 -14.819 1.00 0.00 WT1 O ATOM 9132 H1 TIP3W7753 49.251 41.011 -14.048 1.00 0.00 WT1 H ATOM 9133 H2 TIP3W7753 49.425 42.482 -14.446 1.00 0.00 WT1 H ATOM 9134 OH2 TIP3W7754 40.976 38.825 -18.259 1.00 0.00 WT1 O ATOM 9135 H1 TIP3W7754 41.486 38.006 -18.352 1.00 0.00 WT1 H ATOM 9136 H2 TIP3W7754 41.716 39.447 -18.295 1.00 0.00 WT1 H ATOM 9137 OH2 TIP3W7755 48.143 35.687 -10.150 1.00 0.00 WT1 O ATOM 9138 H1 TIP3W7755 47.838 36.478 -10.595 1.00 0.00 WT1 H ATOM 9139 H2 TIP3W7755 47.359 35.158 -10.193 1.00 0.00 WT1 H ATOM 9140 OH2 TIP3W7756 45.399 38.291 16.951 1.00 0.00 WT1 O ATOM 9141 H1 TIP3W7756 45.221 37.820 17.787 1.00 0.00 WT1 H ATOM 9142 H2 TIP3W7756 44.526 38.422 16.532 1.00 0.00 WT1 H ATOM 9143 OH2 TIP3W7762 42.938 43.573 10.665 1.00 0.00 WT1 O ATOM 9144 H1 TIP3W7762 42.280 42.920 11.031 1.00 0.00 WT1 H ATOM 9145 H2 TIP3W7762 43.433 43.045 10.049 1.00 0.00 WT1 H ATOM 9146 OH2 TIP3W7773 42.808 41.459 -17.640 1.00 0.00 WT1 O ATOM 9147 H1 TIP3W7773 43.410 42.180 -17.548 1.00 0.00 WT1 H ATOM 9148 H2 TIP3W7773 43.028 41.033 -18.495 1.00 0.00 WT1 H ATOM 9149 OH2 TIP3W7791 51.014 29.385 -19.822 1.00 0.00 WT1 O ATOM 9150 H1 TIP3W7791 51.613 30.034 -20.112 1.00 0.00 WT1 H ATOM 9151 H2 TIP3W7791 50.636 29.094 -20.664 1.00 0.00 WT1 H ATOM 9152 OH2 TIP3W7793 50.211 38.827 -11.027 1.00 0.00 WT1 O ATOM 9153 H1 TIP3W7793 49.446 39.310 -10.726 1.00 0.00 WT1 H ATOM 9154 H2 TIP3W7793 50.931 39.098 -10.419 1.00 0.00 WT1 H ATOM 9155 OH2 TIP3W7798 47.076 42.225 -5.347 1.00 0.00 WT1 O ATOM 9156 H1 TIP3W7798 47.689 42.670 -4.737 1.00 0.00 WT1 H ATOM 9157 H2 TIP3W7798 46.589 42.936 -5.727 1.00 0.00 WT1 H ATOM 9158 OH2 TIP3W7800 52.473 47.514 6.397 1.00 0.00 WT1 O ATOM 9159 H1 TIP3W7800 52.247 46.608 6.191 1.00 0.00 WT1 H ATOM 9160 H2 TIP3W7800 52.053 47.669 7.276 1.00 0.00 WT1 H ATOM 9161 OH2 TIP3W7802 50.372 38.538 13.746 1.00 0.00 WT1 O ATOM 9162 H1 TIP3W7802 50.454 37.915 12.995 1.00 0.00 WT1 H ATOM 9163 H2 TIP3W7802 50.854 38.074 14.471 1.00 0.00 WT1 H ATOM 9164 OH2 TIP3W7804 51.692 42.927 7.688 1.00 0.00 WT1 O ATOM 9165 H1 TIP3W7804 51.310 42.122 7.375 1.00 0.00 WT1 H ATOM 9166 H2 TIP3W7804 50.953 43.450 7.983 1.00 0.00 WT1 H ATOM 9167 OH2 TIP3W7811 49.009 32.283 -20.029 1.00 0.00 WT1 O ATOM 9168 H1 TIP3W7811 48.623 33.129 -19.734 1.00 0.00 WT1 H ATOM 9169 H2 TIP3W7811 49.952 32.471 -20.154 1.00 0.00 WT1 H ATOM 9170 OH2 TIP3W7818 48.593 47.527 -9.559 1.00 0.00 WT1 O ATOM 9171 H1 TIP3W7818 49.184 48.255 -9.535 1.00 0.00 WT1 H ATOM 9172 H2 TIP3W7818 47.724 47.993 -9.513 1.00 0.00 WT1 H ATOM 9173 OH2 TIP3W7825 11.974 45.945 5.833 1.00 0.00 WT1 O ATOM 9174 H1 TIP3W7825 12.214 45.978 4.958 1.00 0.00 WT1 H ATOM 9175 H2 TIP3W7825 11.227 45.326 5.836 1.00 0.00 WT1 H ATOM 9176 OH2 TIP3W7833 5.723 43.629 -20.990 1.00 0.00 WT1 O ATOM 9177 H1 TIP3W7833 6.294 44.341 -20.568 1.00 0.00 WT1 H ATOM 9178 H2 TIP3W7833 6.328 43.125 -21.451 1.00 0.00 WT1 H ATOM 9179 OH2 TIP3W7846 5.458 49.416 13.485 1.00 0.00 WT1 O ATOM 9180 H1 TIP3W7846 5.905 49.688 12.674 1.00 0.00 WT1 H ATOM 9181 H2 TIP3W7846 6.160 49.100 14.080 1.00 0.00 WT1 H ATOM 9182 OH2 TIP3W7848 51.033 37.151 15.981 1.00 0.00 WT1 O ATOM 9183 H1 TIP3W7848 50.409 36.494 16.369 1.00 0.00 WT1 H ATOM 9184 H2 TIP3W7848 51.893 36.717 16.165 1.00 0.00 WT1 H ATOM 9185 OH2 TIP3W7853 52.232 31.571 -21.076 1.00 0.00 WT1 O ATOM 9186 H1 TIP3W7853 52.441 31.946 -20.223 1.00 0.00 WT1 H ATOM 9187 H2 TIP3W7853 52.240 32.359 -21.640 1.00 0.00 WT1 H ATOM 9188 OH2 TIP3W7859 44.114 43.820 -18.146 1.00 0.00 WT1 O ATOM 9189 H1 TIP3W7859 43.701 44.474 -17.613 1.00 0.00 WT1 H ATOM 9190 H2 TIP3W7859 44.349 44.349 -18.931 1.00 0.00 WT1 H ATOM 9191 OH2 TIP3W7873 46.913 42.243 21.512 1.00 0.00 WT1 O ATOM 9192 H1 TIP3W7873 46.244 41.758 20.958 1.00 0.00 WT1 H ATOM 9193 H2 TIP3W7873 46.769 41.825 22.425 1.00 0.00 WT1 H ATOM 9194 OH2 TIP3W7896 50.481 -0.348 19.700 1.00 0.00 WT1 O ATOM 9195 H1 TIP3W7896 51.050 -1.070 19.896 1.00 0.00 WT1 H ATOM 9196 H2 TIP3W7896 50.485 0.197 20.510 1.00 0.00 WT1 H ATOM 9197 OH2 TIP3W7904 43.450 -0.882 7.434 1.00 0.00 WT1 O ATOM 9198 H1 TIP3W7904 42.949 -1.371 6.733 1.00 0.00 WT1 H ATOM 9199 H2 TIP3W7904 44.128 -0.333 6.976 1.00 0.00 WT1 H ATOM 9200 OH2 TIP3W7922 48.959 5.700 -4.559 1.00 0.00 WT1 O ATOM 9201 H1 TIP3W7922 48.826 6.663 -4.367 1.00 0.00 WT1 H ATOM 9202 H2 TIP3W7922 49.128 5.673 -5.562 1.00 0.00 WT1 H ATOM 9203 OH2 TIP3W7923 50.116 2.872 0.953 1.00 0.00 WT1 O ATOM 9204 H1 TIP3W7923 50.659 3.705 0.730 1.00 0.00 WT1 H ATOM 9205 H2 TIP3W7923 49.352 2.884 0.296 1.00 0.00 WT1 H ATOM 9206 OH2 TIP3W7945 13.545 4.157 1.535 1.00 0.00 WT1 O ATOM 9207 H1 TIP3W7945 13.768 4.705 2.305 1.00 0.00 WT1 H ATOM 9208 H2 TIP3W7945 12.795 4.701 1.178 1.00 0.00 WT1 H ATOM 9209 OH2 TIP3W7947 51.210 5.110 -6.981 1.00 0.00 WT1 O ATOM 9210 H1 TIP3W7947 51.668 5.866 -7.374 1.00 0.00 WT1 H ATOM 9211 H2 TIP3W7947 51.960 4.427 -6.807 1.00 0.00 WT1 H ATOM 9212 OH2 TIP3W7951 7.755 2.437 17.155 1.00 0.00 WT1 O ATOM 9213 H1 TIP3W7951 8.111 1.888 16.415 1.00 0.00 WT1 H ATOM 9214 H2 TIP3W7951 7.496 1.788 17.832 1.00 0.00 WT1 H ATOM 9215 OH2 TIP3W7967 52.328 17.328 -9.396 1.00 0.00 WT1 O ATOM 9216 H1 TIP3W7967 51.973 18.222 -9.450 1.00 0.00 WT1 H ATOM 9217 H2 TIP3W7967 52.300 17.096 -8.436 1.00 0.00 WT1 H ATOM 9218 OH2 TIP3W7973 51.612 16.001 9.072 1.00 0.00 WT1 O ATOM 9219 H1 TIP3W7973 51.512 16.943 9.295 1.00 0.00 WT1 H ATOM 9220 H2 TIP3W7973 52.557 15.859 9.232 1.00 0.00 WT1 H ATOM 9221 OH2 TIP3W7983 51.956 14.108 -1.927 1.00 0.00 WT1 O ATOM 9222 H1 TIP3W7983 52.611 14.849 -1.696 1.00 0.00 WT1 H ATOM 9223 H2 TIP3W7983 52.243 13.354 -1.489 1.00 0.00 WT1 H ATOM 9224 OH2 TIP3W7985 4.759 5.936 -12.654 1.00 0.00 WT1 O ATOM 9225 H1 TIP3W7985 4.512 5.049 -12.699 1.00 0.00 WT1 H ATOM 9226 H2 TIP3W7985 5.106 6.133 -13.538 1.00 0.00 WT1 H ATOM 9227 OH2 TIP3W7987 49.153 17.199 -4.538 1.00 0.00 WT1 O ATOM 9228 H1 TIP3W7987 49.857 17.429 -3.909 1.00 0.00 WT1 H ATOM 9229 H2 TIP3W7987 49.598 17.189 -5.375 1.00 0.00 WT1 H ATOM 9230 OH2 TIP3W7988 44.570 23.565 6.213 1.00 0.00 WT1 O ATOM 9231 H1 TIP3W7988 44.946 22.686 6.570 1.00 0.00 WT1 H ATOM 9232 H2 TIP3W7988 44.619 24.193 6.958 1.00 0.00 WT1 H ATOM 9233 OH2 TIP3W7989 50.279 19.775 1.442 1.00 0.00 WT1 O ATOM 9234 H1 TIP3W7989 49.526 19.683 0.853 1.00 0.00 WT1 H ATOM 9235 H2 TIP3W7989 51.018 19.652 0.884 1.00 0.00 WT1 H ATOM 9236 OH2 TIP3W7996 50.488 8.946 11.096 1.00 0.00 WT1 O ATOM 9237 H1 TIP3W7996 49.944 9.722 11.332 1.00 0.00 WT1 H ATOM 9238 H2 TIP3W7996 49.949 8.168 11.313 1.00 0.00 WT1 H ATOM 9239 OH2 TIP3W8010 50.107 4.397 7.936 1.00 0.00 WT1 O ATOM 9240 H1 TIP3W8010 50.441 4.076 7.086 1.00 0.00 WT1 H ATOM 9241 H2 TIP3W8010 49.687 5.237 7.786 1.00 0.00 WT1 H ATOM 9242 OH2 TIP3W8013 51.565 6.979 17.497 1.00 0.00 WT1 O ATOM 9243 H1 TIP3W8013 51.116 7.656 17.997 1.00 0.00 WT1 H ATOM 9244 H2 TIP3W8013 52.519 7.230 17.565 1.00 0.00 WT1 H ATOM 9245 OH2 TIP3W8014 7.814 20.360 12.216 1.00 0.00 WT1 O ATOM 9246 H1 TIP3W8014 8.337 20.140 11.443 1.00 0.00 WT1 H ATOM 9247 H2 TIP3W8014 7.154 20.941 11.841 1.00 0.00 WT1 H ATOM 9248 OH2 TIP3W8023 5.223 10.890 -20.857 1.00 0.00 WT1 O ATOM 9249 H1 TIP3W8023 4.933 10.270 -21.526 1.00 0.00 WT1 H ATOM 9250 H2 TIP3W8023 5.600 10.354 -20.166 1.00 0.00 WT1 H ATOM 9251 OH2 TIP3W8024 8.419 24.559 -11.645 1.00 0.00 WT1 O ATOM 9252 H1 TIP3W8024 9.313 24.215 -11.444 1.00 0.00 WT1 H ATOM 9253 H2 TIP3W8024 8.627 25.338 -12.211 1.00 0.00 WT1 H ATOM 9254 OH2 TIP3W8029 12.199 15.567 -7.434 1.00 0.00 WT1 O ATOM 9255 H1 TIP3W8029 12.245 15.751 -8.436 1.00 0.00 WT1 H ATOM 9256 H2 TIP3W8029 12.912 16.132 -7.060 1.00 0.00 WT1 H ATOM 9257 OH2 TIP3W8030 47.447 17.225 -9.590 1.00 0.00 WT1 O ATOM 9258 H1 TIP3W8030 47.471 17.404 -10.605 1.00 0.00 WT1 H ATOM 9259 H2 TIP3W8030 47.510 18.065 -9.206 1.00 0.00 WT1 H ATOM 9260 OH2 TIP3W8041 50.127 16.017 -20.591 1.00 0.00 WT1 O ATOM 9261 H1 TIP3W8041 50.295 15.211 -21.083 1.00 0.00 WT1 H ATOM 9262 H2 TIP3W8041 49.204 16.203 -20.626 1.00 0.00 WT1 H ATOM 9263 OH2 TIP3W8046 7.540 21.452 -10.058 1.00 0.00 WT1 O ATOM 9264 H1 TIP3W8046 7.911 20.520 -10.124 1.00 0.00 WT1 H ATOM 9265 H2 TIP3W8046 7.171 21.562 -10.941 1.00 0.00 WT1 H ATOM 9266 OH2 TIP3W8050 49.939 35.248 -12.461 1.00 0.00 WT1 O ATOM 9267 H1 TIP3W8050 49.350 35.480 -11.763 1.00 0.00 WT1 H ATOM 9268 H2 TIP3W8050 50.316 34.381 -12.230 1.00 0.00 WT1 H ATOM 9269 OH2 TIP3W8055 10.472 16.281 13.293 1.00 0.00 WT1 O ATOM 9270 H1 TIP3W8055 10.954 16.236 14.119 1.00 0.00 WT1 H ATOM 9271 H2 TIP3W8055 10.876 17.063 12.857 1.00 0.00 WT1 H ATOM 9272 OH2 TIP3W8058 49.925 11.561 17.323 1.00 0.00 WT1 O ATOM 9273 H1 TIP3W8058 50.058 11.462 18.315 1.00 0.00 WT1 H ATOM 9274 H2 TIP3W8058 49.252 12.234 17.294 1.00 0.00 WT1 H ATOM 9275 OH2 TIP3W8064 8.930 20.905 -14.664 1.00 0.00 WT1 O ATOM 9276 H1 TIP3W8064 8.064 21.161 -14.204 1.00 0.00 WT1 H ATOM 9277 H2 TIP3W8064 9.488 20.919 -13.887 1.00 0.00 WT1 H ATOM 9278 OH2 TIP3W8067 5.832 28.258 -6.994 1.00 0.00 WT1 O ATOM 9279 H1 TIP3W8067 5.834 28.987 -7.636 1.00 0.00 WT1 H ATOM 9280 H2 TIP3W8067 6.740 27.973 -6.774 1.00 0.00 WT1 H ATOM 9281 OH2 TIP3W8068 5.434 21.532 -8.280 1.00 0.00 WT1 O ATOM 9282 H1 TIP3W8068 6.147 21.471 -8.934 1.00 0.00 WT1 H ATOM 9283 H2 TIP3W8068 4.995 22.369 -8.484 1.00 0.00 WT1 H ATOM 9284 OH2 TIP3W8070 37.775 6.072 -14.674 1.00 0.00 WT1 O ATOM 9285 H1 TIP3W8070 37.650 5.699 -15.602 1.00 0.00 WT1 H ATOM 9286 H2 TIP3W8070 38.050 5.303 -14.118 1.00 0.00 WT1 H ATOM 9287 OH2 TIP3W8076 11.676 22.836 7.097 1.00 0.00 WT1 O ATOM 9288 H1 TIP3W8076 10.830 22.828 7.621 1.00 0.00 WT1 H ATOM 9289 H2 TIP3W8076 11.387 22.568 6.190 1.00 0.00 WT1 H ATOM 9290 OH2 TIP3W8087 47.990 8.514 -21.166 1.00 0.00 WT1 O ATOM 9291 H1 TIP3W8087 47.487 7.801 -21.475 1.00 0.00 WT1 H ATOM 9292 H2 TIP3W8087 48.274 8.146 -20.277 1.00 0.00 WT1 H ATOM 9293 OH2 TIP3W8091 48.385 25.629 -8.084 1.00 0.00 WT1 O ATOM 9294 H1 TIP3W8091 47.862 25.511 -7.234 1.00 0.00 WT1 H ATOM 9295 H2 TIP3W8091 47.733 25.688 -8.827 1.00 0.00 WT1 H ATOM 9296 OH2 TIP3W8094 13.045 23.192 17.134 1.00 0.00 WT1 O ATOM 9297 H1 TIP3W8094 13.779 22.592 16.921 1.00 0.00 WT1 H ATOM 9298 H2 TIP3W8094 12.582 23.186 16.310 1.00 0.00 WT1 H ATOM 9299 OH2 TIP3W8097 16.131 20.473 21.640 1.00 0.00 WT1 O ATOM 9300 H1 TIP3W8097 15.877 21.390 21.574 1.00 0.00 WT1 H ATOM 9301 H2 TIP3W8097 15.735 20.087 20.844 1.00 0.00 WT1 H ATOM 9302 OH2 TIP3W8101 49.214 17.977 16.827 1.00 0.00 WT1 O ATOM 9303 H1 TIP3W8101 50.130 17.901 16.522 1.00 0.00 WT1 H ATOM 9304 H2 TIP3W8101 48.786 17.233 16.301 1.00 0.00 WT1 H ATOM 9305 OH2 TIP3W8106 50.147 22.368 -17.751 1.00 0.00 WT1 O ATOM 9306 H1 TIP3W8106 50.217 21.929 -16.854 1.00 0.00 WT1 H ATOM 9307 H2 TIP3W8106 50.926 22.931 -17.811 1.00 0.00 WT1 H ATOM 9308 OH2 TIP3W8107 46.003 25.234 -18.087 1.00 0.00 WT1 O ATOM 9309 H1 TIP3W8107 45.160 24.881 -18.492 1.00 0.00 WT1 H ATOM 9310 H2 TIP3W8107 46.640 24.635 -18.584 1.00 0.00 WT1 H ATOM 9311 OH2 TIP3W8109 44.970 15.229 -19.185 1.00 0.00 WT1 O ATOM 9312 H1 TIP3W8109 45.016 16.011 -19.644 1.00 0.00 WT1 H ATOM 9313 H2 TIP3W8109 44.737 15.541 -18.293 1.00 0.00 WT1 H ATOM 9314 OH2 TIP3W8113 46.471 24.722 -12.706 1.00 0.00 WT1 O ATOM 9315 H1 TIP3W8113 45.450 24.882 -12.690 1.00 0.00 WT1 H ATOM 9316 H2 TIP3W8113 46.820 25.278 -13.433 1.00 0.00 WT1 H ATOM 9317 OH2 TIP3W8115 49.114 34.591 13.960 1.00 0.00 WT1 O ATOM 9318 H1 TIP3W8115 49.888 34.623 13.381 1.00 0.00 WT1 H ATOM 9319 H2 TIP3W8115 49.536 34.609 14.874 1.00 0.00 WT1 H ATOM 9320 OH2 TIP3W8133 5.348 28.375 2.546 1.00 0.00 WT1 O ATOM 9321 H1 TIP3W8133 5.488 27.431 2.333 1.00 0.00 WT1 H ATOM 9322 H2 TIP3W8133 4.957 28.304 3.437 1.00 0.00 WT1 H ATOM 9323 OH2 TIP3W8136 5.724 30.000 -9.492 1.00 0.00 WT1 O ATOM 9324 H1 TIP3W8136 6.385 29.535 -10.043 1.00 0.00 WT1 H ATOM 9325 H2 TIP3W8136 6.052 30.924 -9.453 1.00 0.00 WT1 H ATOM 9326 OH2 TIP3W8140 8.184 30.622 18.472 1.00 0.00 WT1 O ATOM 9327 H1 TIP3W8140 7.990 29.663 18.427 1.00 0.00 WT1 H ATOM 9328 H2 TIP3W8140 7.430 30.989 17.900 1.00 0.00 WT1 H ATOM 9329 OH2 TIP3W8156 51.886 30.372 4.971 1.00 0.00 WT1 O ATOM 9330 H1 TIP3W8156 51.339 30.436 5.815 1.00 0.00 WT1 H ATOM 9331 H2 TIP3W8156 52.380 31.264 5.018 1.00 0.00 WT1 H ATOM 9332 OH2 TIP3W8173 5.587 43.571 -9.000 1.00 0.00 WT1 O ATOM 9333 H1 TIP3W8173 6.358 43.367 -9.501 1.00 0.00 WT1 H ATOM 9334 H2 TIP3W8173 6.039 43.945 -8.124 1.00 0.00 WT1 H ATOM 9335 OH2 TIP3W8174 7.073 25.466 -9.490 1.00 0.00 WT1 O ATOM 9336 H1 TIP3W8174 7.711 24.934 -10.049 1.00 0.00 WT1 H ATOM 9337 H2 TIP3W8174 7.061 26.295 -9.935 1.00 0.00 WT1 H ATOM 9338 OH2 TIP3W8176 8.424 32.559 6.483 1.00 0.00 WT1 O ATOM 9339 H1 TIP3W8176 8.692 33.509 6.305 1.00 0.00 WT1 H ATOM 9340 H2 TIP3W8176 8.657 32.476 7.412 1.00 0.00 WT1 H ATOM 9341 OH2 TIP3W8181 47.651 45.325 0.251 1.00 0.00 WT1 O ATOM 9342 H1 TIP3W8181 47.690 46.108 -0.335 1.00 0.00 WT1 H ATOM 9343 H2 TIP3W8181 47.100 44.727 -0.268 1.00 0.00 WT1 H ATOM 9344 OH2 TIP3W8185 41.890 24.674 14.921 1.00 0.00 WT1 O ATOM 9345 H1 TIP3W8185 41.118 24.206 14.562 1.00 0.00 WT1 H ATOM 9346 H2 TIP3W8185 42.005 24.184 15.784 1.00 0.00 WT1 H ATOM 9347 OH2 TIP3W8193 6.106 33.946 -14.836 1.00 0.00 WT1 O ATOM 9348 H1 TIP3W8193 5.172 33.948 -15.172 1.00 0.00 WT1 H ATOM 9349 H2 TIP3W8193 6.492 34.740 -15.441 1.00 0.00 WT1 H ATOM 9350 OH2 TIP3W8201 48.320 24.695 12.758 1.00 0.00 WT1 O ATOM 9351 H1 TIP3W8201 47.632 24.425 12.105 1.00 0.00 WT1 H ATOM 9352 H2 TIP3W8201 48.860 25.355 12.316 1.00 0.00 WT1 H ATOM 9353 OH2 TIP3W8206 15.223 24.903 17.568 1.00 0.00 WT1 O ATOM 9354 H1 TIP3W8206 14.532 24.275 17.377 1.00 0.00 WT1 H ATOM 9355 H2 TIP3W8206 15.814 24.280 18.078 1.00 0.00 WT1 H ATOM 9356 OH2 TIP3W8212 48.386 45.204 -10.990 1.00 0.00 WT1 O ATOM 9357 H1 TIP3W8212 49.162 44.680 -10.989 1.00 0.00 WT1 H ATOM 9358 H2 TIP3W8212 48.695 46.056 -10.651 1.00 0.00 WT1 H ATOM 9359 OH2 TIP3W8215 48.718 40.688 -7.181 1.00 0.00 WT1 O ATOM 9360 H1 TIP3W8215 48.257 41.473 -6.779 1.00 0.00 WT1 H ATOM 9361 H2 TIP3W8215 48.895 40.143 -6.405 1.00 0.00 WT1 H ATOM 9362 OH2 TIP3W8218 4.800 46.461 -4.161 1.00 0.00 WT1 O ATOM 9363 H1 TIP3W8218 4.698 46.883 -5.005 1.00 0.00 WT1 H ATOM 9364 H2 TIP3W8218 5.729 46.554 -4.096 1.00 0.00 WT1 H ATOM 9365 OH2 TIP3W8222 8.787 37.954 12.622 1.00 0.00 WT1 O ATOM 9366 H1 TIP3W8222 8.914 37.276 11.947 1.00 0.00 WT1 H ATOM 9367 H2 TIP3W8222 8.420 37.383 13.353 1.00 0.00 WT1 H ATOM 9368 OH2 TIP3W8240 52.274 45.869 -1.112 1.00 0.00 WT1 O ATOM 9369 H1 TIP3W8240 52.069 46.775 -1.135 1.00 0.00 WT1 H ATOM 9370 H2 TIP3W8240 52.477 45.731 -0.165 1.00 0.00 WT1 H ATOM 9371 OH2 TIP3W8241 11.127 46.359 12.444 1.00 0.00 WT1 O ATOM 9372 H1 TIP3W8241 11.596 46.804 11.775 1.00 0.00 WT1 H ATOM 9373 H2 TIP3W8241 10.429 45.947 12.003 1.00 0.00 WT1 H ATOM 9374 OH2 TIP3W8247 52.606 41.204 13.316 1.00 0.00 WT1 O ATOM 9375 H1 TIP3W8247 52.375 42.085 13.703 1.00 0.00 WT1 H ATOM 9376 H2 TIP3W8247 52.431 40.622 14.079 1.00 0.00 WT1 H ATOM 9377 OH2 TIP3W8258 51.307 46.471 -14.229 1.00 0.00 WT1 O ATOM 9378 H1 TIP3W8258 51.219 47.240 -13.566 1.00 0.00 WT1 H ATOM 9379 H2 TIP3W8258 51.699 45.744 -13.682 1.00 0.00 WT1 H ATOM 9380 OH2 TIP3W8262 48.796 43.099 7.786 1.00 0.00 WT1 O ATOM 9381 H1 TIP3W8262 48.520 42.234 7.299 1.00 0.00 WT1 H ATOM 9382 H2 TIP3W8262 48.300 43.731 7.280 1.00 0.00 WT1 H ATOM 9383 OH2 TIP3W8263 7.549 35.314 6.328 1.00 0.00 WT1 O ATOM 9384 H1 TIP3W8263 6.917 34.922 6.928 1.00 0.00 WT1 H ATOM 9385 H2 TIP3W8263 7.019 35.573 5.533 1.00 0.00 WT1 H ATOM 9386 OH2 TIP3W8265 6.370 33.392 15.403 1.00 0.00 WT1 O ATOM 9387 H1 TIP3W8265 6.171 34.191 15.869 1.00 0.00 WT1 H ATOM 9388 H2 TIP3W8265 7.329 33.455 15.485 1.00 0.00 WT1 H ATOM 9389 OH2 TIP3W8266 8.689 41.729 19.199 1.00 0.00 WT1 O ATOM 9390 H1 TIP3W8266 8.181 42.132 19.958 1.00 0.00 WT1 H ATOM 9391 H2 TIP3W8266 8.055 41.031 18.920 1.00 0.00 WT1 H ATOM 9392 OH2 TIP3W8284 48.412 36.701 11.441 1.00 0.00 WT1 O ATOM 9393 H1 TIP3W8284 48.153 36.650 12.402 1.00 0.00 WT1 H ATOM 9394 H2 TIP3W8284 49.350 36.497 11.536 1.00 0.00 WT1 H ATOM 9395 OH2 TIP3W8289 19.875 47.215 8.861 1.00 0.00 WT1 O ATOM 9396 H1 TIP3W8289 20.729 47.653 9.110 1.00 0.00 WT1 H ATOM 9397 H2 TIP3W8289 19.818 47.459 7.939 1.00 0.00 WT1 H ATOM 9398 OH2 TIP3W8290 8.830 0.699 21.456 1.00 0.00 WT1 O ATOM 9399 H1 TIP3W8290 8.308 0.796 22.268 1.00 0.00 WT1 H ATOM 9400 H2 TIP3W8290 9.718 0.924 21.745 1.00 0.00 WT1 H ATOM 9401 OH2 TIP3W8309 5.073 3.228 20.215 1.00 0.00 WT1 O ATOM 9402 H1 TIP3W8309 5.238 3.612 21.059 1.00 0.00 WT1 H ATOM 9403 H2 TIP3W8309 5.789 2.587 20.111 1.00 0.00 WT1 H ATOM 9404 OH2 TIP3W8326 42.310 3.082 5.892 1.00 0.00 WT1 O ATOM 9405 H1 TIP3W8326 41.915 2.203 5.629 1.00 0.00 WT1 H ATOM 9406 H2 TIP3W8326 41.491 3.572 6.106 1.00 0.00 WT1 H ATOM 9407 OH2 TIP3W8352 8.435 44.980 11.727 1.00 0.00 WT1 O ATOM 9408 H1 TIP3W8352 8.509 44.037 11.879 1.00 0.00 WT1 H ATOM 9409 H2 TIP3W8352 8.036 45.294 12.544 1.00 0.00 WT1 H ATOM 9410 OH2 TIP3W8364 12.871 9.494 -4.913 1.00 0.00 WT1 O ATOM 9411 H1 TIP3W8364 12.226 9.758 -5.592 1.00 0.00 WT1 H ATOM 9412 H2 TIP3W8364 12.619 8.578 -4.671 1.00 0.00 WT1 H ATOM 9413 OH2 TIP3W8370 20.322 2.638 2.447 1.00 0.00 WT1 O ATOM 9414 H1 TIP3W8370 20.931 2.356 1.727 1.00 0.00 WT1 H ATOM 9415 H2 TIP3W8370 20.865 2.578 3.219 1.00 0.00 WT1 H ATOM 9416 OH2 TIP3W8388 50.583 10.371 -4.143 1.00 0.00 WT1 O ATOM 9417 H1 TIP3W8388 50.661 11.338 -4.255 1.00 0.00 WT1 H ATOM 9418 H2 TIP3W8388 51.352 10.080 -4.660 1.00 0.00 WT1 H ATOM 9419 OH2 TIP3W8394 13.300 6.201 14.958 1.00 0.00 WT1 O ATOM 9420 H1 TIP3W8394 13.887 6.871 15.276 1.00 0.00 WT1 H ATOM 9421 H2 TIP3W8394 12.470 6.291 15.529 1.00 0.00 WT1 H ATOM 9422 OH2 TIP3W8403 9.061 17.579 -18.980 1.00 0.00 WT1 O ATOM 9423 H1 TIP3W8403 9.064 17.548 -18.034 1.00 0.00 WT1 H ATOM 9424 H2 TIP3W8403 9.610 16.876 -19.182 1.00 0.00 WT1 H ATOM 9425 OH2 TIP3W8408 4.901 3.223 3.534 1.00 0.00 WT1 O ATOM 9426 H1 TIP3W8408 5.057 3.063 2.587 1.00 0.00 WT1 H ATOM 9427 H2 TIP3W8408 5.566 2.673 3.991 1.00 0.00 WT1 H ATOM 9428 OH2 TIP3W8411 7.716 -1.313 -7.301 1.00 0.00 WT1 O ATOM 9429 H1 TIP3W8411 7.658 -1.186 -8.248 1.00 0.00 WT1 H ATOM 9430 H2 TIP3W8411 8.688 -1.240 -7.070 1.00 0.00 WT1 H ATOM 9431 OH2 TIP3W8412 12.479 0.707 15.804 1.00 0.00 WT1 O ATOM 9432 H1 TIP3W8412 12.571 1.656 15.996 1.00 0.00 WT1 H ATOM 9433 H2 TIP3W8412 12.215 0.738 14.837 1.00 0.00 WT1 H ATOM 9434 OH2 TIP3W8415 9.585 12.339 21.727 1.00 0.00 WT1 O ATOM 9435 H1 TIP3W8415 10.127 11.609 22.230 1.00 0.00 WT1 H ATOM 9436 H2 TIP3W8415 8.974 11.843 21.207 1.00 0.00 WT1 H ATOM 9437 OH2 TIP3W8425 6.588 2.492 -20.594 1.00 0.00 WT1 O ATOM 9438 H1 TIP3W8425 7.011 1.962 -21.234 1.00 0.00 WT1 H ATOM 9439 H2 TIP3W8425 5.866 1.976 -20.379 1.00 0.00 WT1 H ATOM 9440 OH2 TIP3W8436 45.789 7.372 15.267 1.00 0.00 WT1 O ATOM 9441 H1 TIP3W8436 45.303 7.020 14.559 1.00 0.00 WT1 H ATOM 9442 H2 TIP3W8436 46.698 7.439 14.913 1.00 0.00 WT1 H ATOM 9443 OH2 TIP3W8441 10.556 19.786 -8.230 1.00 0.00 WT1 O ATOM 9444 H1 TIP3W8441 11.437 20.103 -8.000 1.00 0.00 WT1 H ATOM 9445 H2 TIP3W8441 10.112 20.645 -8.339 1.00 0.00 WT1 H ATOM 9446 OH2 TIP3W8448 4.726 17.972 4.615 1.00 0.00 WT1 O ATOM 9447 H1 TIP3W8448 5.682 18.282 4.468 1.00 0.00 WT1 H ATOM 9448 H2 TIP3W8448 4.838 17.109 4.805 1.00 0.00 WT1 H ATOM 9449 OH2 TIP3W8457 13.746 14.302 10.599 1.00 0.00 WT1 O ATOM 9450 H1 TIP3W8457 13.122 13.872 11.187 1.00 0.00 WT1 H ATOM 9451 H2 TIP3W8457 14.597 14.285 11.105 1.00 0.00 WT1 H ATOM 9452 OH2 TIP3W8462 42.374 18.914 -11.137 1.00 0.00 WT1 O ATOM 9453 H1 TIP3W8462 42.521 18.052 -10.702 1.00 0.00 WT1 H ATOM 9454 H2 TIP3W8462 41.629 18.767 -11.821 1.00 0.00 WT1 H ATOM 9455 OH2 TIP3W8466 9.658 14.029 -15.806 1.00 0.00 WT1 O ATOM 9456 H1 TIP3W8466 9.252 14.781 -15.329 1.00 0.00 WT1 H ATOM 9457 H2 TIP3W8466 9.274 13.249 -15.372 1.00 0.00 WT1 H ATOM 9458 OH2 TIP3W8468 5.622 12.147 -7.965 1.00 0.00 WT1 O ATOM 9459 H1 TIP3W8468 5.904 11.920 -8.831 1.00 0.00 WT1 H ATOM 9460 H2 TIP3W8468 5.215 13.013 -8.160 1.00 0.00 WT1 H ATOM 9461 OH2 TIP3W8486 50.780 19.660 -20.391 1.00 0.00 WT1 O ATOM 9462 H1 TIP3W8486 50.333 19.774 -19.514 1.00 0.00 WT1 H ATOM 9463 H2 TIP3W8486 50.122 19.446 -21.043 1.00 0.00 WT1 H ATOM 9464 OH2 TIP3W8492 5.903 21.785 11.085 1.00 0.00 WT1 O ATOM 9465 H1 TIP3W8492 5.168 21.959 11.658 1.00 0.00 WT1 H ATOM 9466 H2 TIP3W8492 5.509 21.586 10.240 1.00 0.00 WT1 H ATOM 9467 OH2 TIP3W8507 50.925 25.720 -10.557 1.00 0.00 WT1 O ATOM 9468 H1 TIP3W8507 50.877 25.933 -11.472 1.00 0.00 WT1 H ATOM 9469 H2 TIP3W8507 50.146 25.147 -10.433 1.00 0.00 WT1 H ATOM 9470 OH2 TIP3W8509 43.995 3.018 -15.631 1.00 0.00 WT1 O ATOM 9471 H1 TIP3W8509 43.690 2.942 -14.713 1.00 0.00 WT1 H ATOM 9472 H2 TIP3W8509 44.082 2.138 -15.927 1.00 0.00 WT1 H ATOM 9473 OH2 TIP3W8520 6.583 21.869 18.897 1.00 0.00 WT1 O ATOM 9474 H1 TIP3W8520 6.203 21.798 18.013 1.00 0.00 WT1 H ATOM 9475 H2 TIP3W8520 6.677 22.838 19.062 1.00 0.00 WT1 H ATOM 9476 OH2 TIP3W8528 10.323 14.655 -18.468 1.00 0.00 WT1 O ATOM 9477 H1 TIP3W8528 10.326 14.605 -17.502 1.00 0.00 WT1 H ATOM 9478 H2 TIP3W8528 9.559 14.086 -18.748 1.00 0.00 WT1 H ATOM 9479 OH2 TIP3W8534 6.494 20.680 -12.294 1.00 0.00 WT1 O ATOM 9480 H1 TIP3W8534 6.223 19.867 -11.796 1.00 0.00 WT1 H ATOM 9481 H2 TIP3W8534 5.699 20.803 -12.830 1.00 0.00 WT1 H ATOM 9482 OH2 TIP3W8536 7.517 12.549 -4.022 1.00 0.00 WT1 O ATOM 9483 H1 TIP3W8536 8.257 12.652 -3.421 1.00 0.00 WT1 H ATOM 9484 H2 TIP3W8536 6.895 13.255 -3.873 1.00 0.00 WT1 H ATOM 9485 OH2 TIP3W8538 49.413 26.727 3.260 1.00 0.00 WT1 O ATOM 9486 H1 TIP3W8538 49.614 26.762 4.210 1.00 0.00 WT1 H ATOM 9487 H2 TIP3W8538 49.885 27.540 2.967 1.00 0.00 WT1 H ATOM 9488 OH2 TIP3W8543 49.592 25.867 -20.921 1.00 0.00 WT1 O ATOM 9489 H1 TIP3W8543 50.199 26.012 -21.733 1.00 0.00 WT1 H ATOM 9490 H2 TIP3W8543 48.739 26.209 -21.205 1.00 0.00 WT1 H ATOM 9491 OH2 TIP3W8548 17.949 14.668 -16.525 1.00 0.00 WT1 O ATOM 9492 H1 TIP3W8548 18.409 13.964 -16.922 1.00 0.00 WT1 H ATOM 9493 H2 TIP3W8548 17.065 14.294 -16.451 1.00 0.00 WT1 H ATOM 9494 OH2 TIP3W8549 8.908 26.978 -3.475 1.00 0.00 WT1 O ATOM 9495 H1 TIP3W8549 8.979 26.887 -4.439 1.00 0.00 WT1 H ATOM 9496 H2 TIP3W8549 9.700 26.398 -3.152 1.00 0.00 WT1 H ATOM 9497 OH2 TIP3W8551 10.494 32.710 -17.740 1.00 0.00 WT1 O ATOM 9498 H1 TIP3W8551 10.053 33.389 -18.322 1.00 0.00 WT1 H ATOM 9499 H2 TIP3W8551 9.816 32.395 -17.174 1.00 0.00 WT1 H ATOM 9500 OH2 TIP3W8555 10.494 20.195 2.578 1.00 0.00 WT1 O ATOM 9501 H1 TIP3W8555 9.941 19.749 2.004 1.00 0.00 WT1 H ATOM 9502 H2 TIP3W8555 10.268 19.956 3.514 1.00 0.00 WT1 H ATOM 9503 OH2 TIP3W8556 6.291 15.205 -3.131 1.00 0.00 WT1 O ATOM 9504 H1 TIP3W8556 6.231 15.751 -2.265 1.00 0.00 WT1 H ATOM 9505 H2 TIP3W8556 6.966 15.687 -3.638 1.00 0.00 WT1 H ATOM 9506 OH2 TIP3W8558 6.323 24.359 -6.919 1.00 0.00 WT1 O ATOM 9507 H1 TIP3W8558 5.388 24.093 -6.788 1.00 0.00 WT1 H ATOM 9508 H2 TIP3W8558 6.428 24.614 -7.871 1.00 0.00 WT1 H ATOM 9509 OH2 TIP3W8564 43.399 26.182 21.488 1.00 0.00 WT1 O ATOM 9510 H1 TIP3W8564 43.765 25.341 21.661 1.00 0.00 WT1 H ATOM 9511 H2 TIP3W8564 43.148 26.403 22.390 1.00 0.00 WT1 H ATOM 9512 OH2 TIP3W8566 5.639 22.311 16.143 1.00 0.00 WT1 O ATOM 9513 H1 TIP3W8566 5.479 21.748 15.372 1.00 0.00 WT1 H ATOM 9514 H2 TIP3W8566 5.033 23.066 15.968 1.00 0.00 WT1 H ATOM 9515 OH2 TIP3W8574 8.417 26.852 -6.555 1.00 0.00 WT1 O ATOM 9516 H1 TIP3W8574 9.287 26.593 -7.012 1.00 0.00 WT1 H ATOM 9517 H2 TIP3W8574 7.864 26.100 -6.776 1.00 0.00 WT1 H ATOM 9518 OH2 TIP3W8575 48.959 36.560 8.784 1.00 0.00 WT1 O ATOM 9519 H1 TIP3W8575 49.722 37.191 8.662 1.00 0.00 WT1 H ATOM 9520 H2 TIP3W8575 48.616 36.802 9.663 1.00 0.00 WT1 H ATOM 9521 OH2 TIP3W8577 48.563 26.017 8.297 1.00 0.00 WT1 O ATOM 9522 H1 TIP3W8577 48.326 26.815 8.725 1.00 0.00 WT1 H ATOM 9523 H2 TIP3W8577 47.732 25.764 7.940 1.00 0.00 WT1 H ATOM 9524 OH2 TIP3W8578 10.706 37.451 3.227 1.00 0.00 WT1 O ATOM 9525 H1 TIP3W8578 11.024 37.090 2.390 1.00 0.00 WT1 H ATOM 9526 H2 TIP3W8578 10.803 36.720 3.869 1.00 0.00 WT1 H ATOM 9527 OH2 TIP3W8579 10.518 29.318 4.969 1.00 0.00 WT1 O ATOM 9528 H1 TIP3W8579 10.563 30.212 4.572 1.00 0.00 WT1 H ATOM 9529 H2 TIP3W8579 9.522 29.093 5.181 1.00 0.00 WT1 H ATOM 9530 OH2 TIP3W8582 51.444 25.273 18.851 1.00 0.00 WT1 O ATOM 9531 H1 TIP3W8582 50.679 24.811 18.521 1.00 0.00 WT1 H ATOM 9532 H2 TIP3W8582 52.182 24.853 18.415 1.00 0.00 WT1 H ATOM 9533 OH2 TIP3W8589 13.122 45.620 -17.841 1.00 0.00 WT1 O ATOM 9534 H1 TIP3W8589 12.520 46.228 -17.336 1.00 0.00 WT1 H ATOM 9535 H2 TIP3W8589 13.965 45.664 -17.379 1.00 0.00 WT1 H ATOM 9536 OH2 TIP3W8599 48.747 42.291 19.159 1.00 0.00 WT1 O ATOM 9537 H1 TIP3W8599 48.680 42.948 18.481 1.00 0.00 WT1 H ATOM 9538 H2 TIP3W8599 47.938 42.459 19.706 1.00 0.00 WT1 H ATOM 9539 OH2 TIP3W8600 9.678 26.492 10.143 1.00 0.00 WT1 O ATOM 9540 H1 TIP3W8600 8.787 26.171 10.394 1.00 0.00 WT1 H ATOM 9541 H2 TIP3W8600 9.694 26.285 9.243 1.00 0.00 WT1 H ATOM 9542 OH2 TIP3W8613 12.427 31.950 -19.526 1.00 0.00 WT1 O ATOM 9543 H1 TIP3W8613 11.895 32.164 -18.802 1.00 0.00 WT1 H ATOM 9544 H2 TIP3W8613 13.167 32.575 -19.321 1.00 0.00 WT1 H ATOM 9545 OH2 TIP3W8617 12.446 36.097 -14.329 1.00 0.00 WT1 O ATOM 9546 H1 TIP3W8617 12.163 36.612 -13.513 1.00 0.00 WT1 H ATOM 9547 H2 TIP3W8617 12.963 35.377 -13.902 1.00 0.00 WT1 H ATOM 9548 OH2 TIP3W8621 43.908 26.861 18.526 1.00 0.00 WT1 O ATOM 9549 H1 TIP3W8621 44.007 26.748 19.493 1.00 0.00 WT1 H ATOM 9550 H2 TIP3W8621 44.254 26.028 18.226 1.00 0.00 WT1 H ATOM 9551 OH2 TIP3W8622 6.571 39.963 4.606 1.00 0.00 WT1 O ATOM 9552 H1 TIP3W8622 7.015 40.222 5.388 1.00 0.00 WT1 H ATOM 9553 H2 TIP3W8622 5.648 40.058 4.830 1.00 0.00 WT1 H ATOM 9554 OH2 TIP3W8624 18.065 39.689 17.200 1.00 0.00 WT1 O ATOM 9555 H1 TIP3W8624 18.773 39.806 16.598 1.00 0.00 WT1 H ATOM 9556 H2 TIP3W8624 17.382 39.178 16.698 1.00 0.00 WT1 H ATOM 9557 OH2 TIP3W8642 9.116 33.620 15.195 1.00 0.00 WT1 O ATOM 9558 H1 TIP3W8642 9.442 32.731 14.771 1.00 0.00 WT1 H ATOM 9559 H2 TIP3W8642 9.441 34.263 14.580 1.00 0.00 WT1 H ATOM 9560 OH2 TIP3W8645 4.669 28.371 5.164 1.00 0.00 WT1 O ATOM 9561 H1 TIP3W8645 4.343 27.753 5.853 1.00 0.00 WT1 H ATOM 9562 H2 TIP3W8645 4.366 29.279 5.334 1.00 0.00 WT1 H ATOM 9563 OH2 TIP3W8653 5.738 37.597 -19.639 1.00 0.00 WT1 O ATOM 9564 H1 TIP3W8653 5.803 38.170 -18.783 1.00 0.00 WT1 H ATOM 9565 H2 TIP3W8653 5.848 36.756 -19.286 1.00 0.00 WT1 H ATOM 9566 OH2 TIP3W8658 6.480 36.962 14.480 1.00 0.00 WT1 O ATOM 9567 H1 TIP3W8658 5.893 36.458 13.868 1.00 0.00 WT1 H ATOM 9568 H2 TIP3W8658 6.021 37.801 14.611 1.00 0.00 WT1 H ATOM 9569 OH2 TIP3W8664 52.334 44.068 17.072 1.00 0.00 WT1 O ATOM 9570 H1 TIP3W8664 51.780 44.797 17.370 1.00 0.00 WT1 H ATOM 9571 H2 TIP3W8664 51.682 43.333 16.933 1.00 0.00 WT1 H ATOM 9572 OH2 TIP3W8668 10.840 39.842 5.171 1.00 0.00 WT1 O ATOM 9573 H1 TIP3W8668 11.243 39.238 4.543 1.00 0.00 WT1 H ATOM 9574 H2 TIP3W8668 10.184 40.208 4.564 1.00 0.00 WT1 H ATOM 9575 OH2 TIP3W8675 9.613 40.827 -18.221 1.00 0.00 WT1 O ATOM 9576 H1 TIP3W8675 8.743 40.889 -17.848 1.00 0.00 WT1 H ATOM 9577 H2 TIP3W8675 9.442 40.431 -19.083 1.00 0.00 WT1 H ATOM 9578 OH2 TIP3W8678 51.122 47.739 -6.252 1.00 0.00 WT1 O ATOM 9579 H1 TIP3W8678 50.730 46.982 -5.742 1.00 0.00 WT1 H ATOM 9580 H2 TIP3W8678 50.397 48.393 -6.383 1.00 0.00 WT1 H ATOM 9581 OH2 TIP3W8679 6.523 36.505 -16.151 1.00 0.00 WT1 O ATOM 9582 H1 TIP3W8679 6.465 37.091 -15.393 1.00 0.00 WT1 H ATOM 9583 H2 TIP3W8679 6.383 37.128 -16.869 1.00 0.00 WT1 H ATOM 9584 OH2 TIP3W8683 4.807 34.451 -0.136 1.00 0.00 WT1 O ATOM 9585 H1 TIP3W8683 4.546 34.498 -1.016 1.00 0.00 WT1 H ATOM 9586 H2 TIP3W8683 5.507 35.084 -0.149 1.00 0.00 WT1 H ATOM 9587 OH2 TIP3W8687 5.940 30.967 16.776 1.00 0.00 WT1 O ATOM 9588 H1 TIP3W8687 6.173 31.636 16.127 1.00 0.00 WT1 H ATOM 9589 H2 TIP3W8687 5.357 31.427 17.398 1.00 0.00 WT1 H ATOM 9590 OH2 TIP3W8689 47.872 50.051 16.307 1.00 0.00 WT1 O ATOM 9591 H1 TIP3W8689 47.483 50.883 16.434 1.00 0.00 WT1 H ATOM 9592 H2 TIP3W8689 47.144 49.406 16.431 1.00 0.00 WT1 H ATOM 9593 OH2 TIP3W8690 4.938 43.508 20.755 1.00 0.00 WT1 O ATOM 9594 H1 TIP3W8690 5.663 43.477 21.428 1.00 0.00 WT1 H ATOM 9595 H2 TIP3W8690 4.839 44.459 20.524 1.00 0.00 WT1 H ATOM 9596 OH2 TIP3W8691 6.613 46.104 -20.020 1.00 0.00 WT1 O ATOM 9597 H1 TIP3W8691 7.553 46.096 -19.978 1.00 0.00 WT1 H ATOM 9598 H2 TIP3W8691 6.406 46.479 -20.887 1.00 0.00 WT1 H ATOM 9599 OH2 TIP3W8699 7.667 49.439 -14.191 1.00 0.00 WT1 O ATOM 9600 H1 TIP3W8699 7.732 50.367 -13.884 1.00 0.00 WT1 H ATOM 9601 H2 TIP3W8699 6.847 49.126 -13.810 1.00 0.00 WT1 H ATOM 9602 OH2 TIP3W8705 44.816 49.895 5.226 1.00 0.00 WT1 O ATOM 9603 H1 TIP3W8705 43.950 50.211 5.378 1.00 0.00 WT1 H ATOM 9604 H2 TIP3W8705 44.653 49.296 4.444 1.00 0.00 WT1 H ATOM 9605 OH2 TIP3W8721 5.293 41.146 -3.565 1.00 0.00 WT1 O ATOM 9606 H1 TIP3W8721 5.466 42.034 -3.182 1.00 0.00 WT1 H ATOM 9607 H2 TIP3W8721 5.254 40.501 -2.818 1.00 0.00 WT1 H ATOM 9608 OH2 TIP3W8722 6.663 47.211 -9.165 1.00 0.00 WT1 O ATOM 9609 H1 TIP3W8722 7.336 46.662 -9.523 1.00 0.00 WT1 H ATOM 9610 H2 TIP3W8722 6.622 47.954 -9.776 1.00 0.00 WT1 H ATOM 9611 OH2 TIP3W8732 8.794 47.652 6.113 1.00 0.00 WT1 O ATOM 9612 H1 TIP3W8732 8.212 48.240 5.519 1.00 0.00 WT1 H ATOM 9613 H2 TIP3W8732 9.680 47.815 5.689 1.00 0.00 WT1 H ATOM 9614 OH2 TIP3W8746 47.174 50.014 -11.268 1.00 0.00 WT1 O ATOM 9615 H1 TIP3W8746 46.238 49.954 -11.452 1.00 0.00 WT1 H ATOM 9616 H2 TIP3W8746 47.416 50.823 -11.774 1.00 0.00 WT1 H ATOM 9617 OH2 TIP3W8748 6.350 41.626 9.660 1.00 0.00 WT1 O ATOM 9618 H1 TIP3W8748 6.572 40.889 10.211 1.00 0.00 WT1 H ATOM 9619 H2 TIP3W8748 7.093 41.824 9.171 1.00 0.00 WT1 H ATOM 9620 OH2 TIP3W8760 17.767 19.061 -15.249 1.00 0.00 WT1 O ATOM 9621 H1 TIP3W8760 17.854 18.283 -14.835 1.00 0.00 WT1 H ATOM 9622 H2 TIP3W8760 17.509 18.740 -16.193 1.00 0.00 WT1 H ATOM 9623 OH2 TIP3W8780 7.748 6.669 -21.478 1.00 0.00 WT1 O ATOM 9624 H1 TIP3W8780 6.857 6.417 -21.217 1.00 0.00 WT1 H ATOM 9625 H2 TIP3W8780 8.199 6.345 -20.701 1.00 0.00 WT1 H ATOM 9626 OH2 TIP3W8794 10.812 7.129 19.083 1.00 0.00 WT1 O ATOM 9627 H1 TIP3W8794 9.890 6.729 19.058 1.00 0.00 WT1 H ATOM 9628 H2 TIP3W8794 10.638 8.063 19.223 1.00 0.00 WT1 H ATOM 9629 OH2 TIP3W8801 13.326 14.260 -12.309 1.00 0.00 WT1 O ATOM 9630 H1 TIP3W8801 13.468 13.339 -12.093 1.00 0.00 WT1 H ATOM 9631 H2 TIP3W8801 12.847 14.124 -13.142 1.00 0.00 WT1 H ATOM 9632 OH2 TIP3W8809 5.781 43.824 -2.523 1.00 0.00 WT1 O ATOM 9633 H1 TIP3W8809 6.386 44.558 -2.461 1.00 0.00 WT1 H ATOM 9634 H2 TIP3W8809 5.012 44.289 -2.429 1.00 0.00 WT1 H ATOM 9635 OH2 TIP3W8813 8.904 10.713 15.195 1.00 0.00 WT1 O ATOM 9636 H1 TIP3W8813 8.518 10.669 16.134 1.00 0.00 WT1 H ATOM 9637 H2 TIP3W8813 8.072 10.660 14.675 1.00 0.00 WT1 H ATOM 9638 OH2 TIP3W8822 5.872 5.106 -9.555 1.00 0.00 WT1 O ATOM 9639 H1 TIP3W8822 5.270 5.820 -9.745 1.00 0.00 WT1 H ATOM 9640 H2 TIP3W8822 5.507 4.397 -10.241 1.00 0.00 WT1 H ATOM 9641 OH2 TIP3W8829 5.624 7.955 -14.621 1.00 0.00 WT1 O ATOM 9642 H1 TIP3W8829 5.643 7.276 -15.350 1.00 0.00 WT1 H ATOM 9643 H2 TIP3W8829 6.366 8.523 -14.814 1.00 0.00 WT1 H ATOM 9644 OH2 TIP3W8833 6.573 0.910 8.739 1.00 0.00 WT1 O ATOM 9645 H1 TIP3W8833 6.304 0.321 9.439 1.00 0.00 WT1 H ATOM 9646 H2 TIP3W8833 5.719 1.452 8.635 1.00 0.00 WT1 H ATOM 9647 OH2 TIP3W8836 8.844 3.645 19.747 1.00 0.00 WT1 O ATOM 9648 H1 TIP3W8836 9.834 3.390 19.884 1.00 0.00 WT1 H ATOM 9649 H2 TIP3W8836 8.671 3.415 18.776 1.00 0.00 WT1 H ATOM 9650 OH2 TIP3W8843 11.882 -1.010 -18.316 1.00 0.00 WT1 O ATOM 9651 H1 TIP3W8843 11.946 -1.091 -19.291 1.00 0.00 WT1 H ATOM 9652 H2 TIP3W8843 10.938 -1.196 -18.264 1.00 0.00 WT1 H ATOM 9653 OH2 TIP3W8845 5.443 5.650 -16.716 1.00 0.00 WT1 O ATOM 9654 H1 TIP3W8845 5.511 5.672 -17.657 1.00 0.00 WT1 H ATOM 9655 H2 TIP3W8845 4.668 5.119 -16.492 1.00 0.00 WT1 H ATOM 9656 OH2 TIP3W8848 14.894 1.781 5.324 1.00 0.00 WT1 O ATOM 9657 H1 TIP3W8848 15.490 2.562 5.120 1.00 0.00 WT1 H ATOM 9658 H2 TIP3W8848 14.294 1.828 4.562 1.00 0.00 WT1 H ATOM 9659 OH2 TIP3W8852 17.556 8.025 3.603 1.00 0.00 WT1 O ATOM 9660 H1 TIP3W8852 18.307 8.458 4.035 1.00 0.00 WT1 H ATOM 9661 H2 TIP3W8852 17.896 7.544 2.865 1.00 0.00 WT1 H ATOM 9662 OH2 TIP3W8865 15.825 20.912 -16.967 1.00 0.00 WT1 O ATOM 9663 H1 TIP3W8865 15.185 20.481 -17.609 1.00 0.00 WT1 H ATOM 9664 H2 TIP3W8865 15.515 20.489 -16.100 1.00 0.00 WT1 H ATOM 9665 OH2 TIP3W8869 9.589 4.325 -10.337 1.00 0.00 WT1 O ATOM 9666 H1 TIP3W8869 8.814 3.903 -10.827 1.00 0.00 WT1 H ATOM 9667 H2 TIP3W8869 9.874 3.556 -9.775 1.00 0.00 WT1 H ATOM 9668 OH2 TIP3W8870 5.218 10.983 4.131 1.00 0.00 WT1 O ATOM 9669 H1 TIP3W8870 5.164 11.871 3.821 1.00 0.00 WT1 H ATOM 9670 H2 TIP3W8870 4.328 10.632 3.987 1.00 0.00 WT1 H ATOM 9671 OH2 TIP3W8886 33.369 15.368 -16.349 1.00 0.00 WT1 O ATOM 9672 H1 TIP3W8886 32.997 15.825 -15.555 1.00 0.00 WT1 H ATOM 9673 H2 TIP3W8886 33.657 16.098 -16.924 1.00 0.00 WT1 H ATOM 9674 OH2 TIP3W8887 13.200 19.611 -5.724 1.00 0.00 WT1 O ATOM 9675 H1 TIP3W8887 13.008 20.142 -6.494 1.00 0.00 WT1 H ATOM 9676 H2 TIP3W8887 14.110 19.910 -5.550 1.00 0.00 WT1 H ATOM 9677 OH2 TIP3W8893 4.977 27.991 21.987 1.00 0.00 WT1 O ATOM 9678 H1 TIP3W8893 5.139 28.315 21.061 1.00 0.00 WT1 H ATOM 9679 H2 TIP3W8893 4.563 27.134 21.799 1.00 0.00 WT1 H ATOM 9680 OH2 TIP3W8894 5.860 17.874 18.060 1.00 0.00 WT1 O ATOM 9681 H1 TIP3W8894 5.614 18.286 17.265 1.00 0.00 WT1 H ATOM 9682 H2 TIP3W8894 6.652 18.323 18.297 1.00 0.00 WT1 H ATOM 9683 OH2 TIP3W8895 10.310 9.853 0.530 1.00 0.00 WT1 O ATOM 9684 H1 TIP3W8895 10.176 10.627 1.145 1.00 0.00 WT1 H ATOM 9685 H2 TIP3W8895 10.173 10.204 -0.342 1.00 0.00 WT1 H ATOM 9686 OH2 TIP3W8896 13.285 11.407 20.622 1.00 0.00 WT1 O ATOM 9687 H1 TIP3W8896 14.077 11.286 20.134 1.00 0.00 WT1 H ATOM 9688 H2 TIP3W8896 13.201 10.525 21.098 1.00 0.00 WT1 H ATOM 9689 OH2 TIP3W8898 13.679 12.477 16.063 1.00 0.00 WT1 O ATOM 9690 H1 TIP3W8898 14.357 12.082 16.584 1.00 0.00 WT1 H ATOM 9691 H2 TIP3W8898 12.924 12.614 16.715 1.00 0.00 WT1 H ATOM 9692 OH2 TIP3W8903 20.638 -0.279 -16.009 1.00 0.00 WT1 O ATOM 9693 H1 TIP3W8903 21.402 -0.891 -15.916 1.00 0.00 WT1 H ATOM 9694 H2 TIP3W8903 19.906 -0.795 -15.645 1.00 0.00 WT1 H ATOM 9695 OH2 TIP3W8905 12.144 12.978 -14.267 1.00 0.00 WT1 O ATOM 9696 H1 TIP3W8905 11.415 13.287 -14.801 1.00 0.00 WT1 H ATOM 9697 H2 TIP3W8905 12.504 12.284 -14.868 1.00 0.00 WT1 H ATOM 9698 OH2 TIP3W8908 13.655 30.530 -15.890 1.00 0.00 WT1 O ATOM 9699 H1 TIP3W8908 13.798 30.136 -14.961 1.00 0.00 WT1 H ATOM 9700 H2 TIP3W8908 13.209 31.398 -15.754 1.00 0.00 WT1 H ATOM 9701 OH2 TIP3W8926 14.529 24.555 -16.627 1.00 0.00 WT1 O ATOM 9702 H1 TIP3W8926 15.001 23.852 -17.015 1.00 0.00 WT1 H ATOM 9703 H2 TIP3W8926 14.659 24.328 -15.663 1.00 0.00 WT1 H ATOM 9704 OH2 TIP3W8927 8.959 26.384 -13.472 1.00 0.00 WT1 O ATOM 9705 H1 TIP3W8927 9.579 27.105 -13.787 1.00 0.00 WT1 H ATOM 9706 H2 TIP3W8927 8.082 26.625 -13.834 1.00 0.00 WT1 H ATOM 9707 OH2 TIP3W8928 9.952 12.011 5.436 1.00 0.00 WT1 O ATOM 9708 H1 TIP3W8928 10.139 12.955 5.591 1.00 0.00 WT1 H ATOM 9709 H2 TIP3W8928 10.469 11.479 6.085 1.00 0.00 WT1 H ATOM 9710 OH2 TIP3W8931 9.977 10.382 -2.252 1.00 0.00 WT1 O ATOM 9711 H1 TIP3W8931 9.957 11.313 -2.297 1.00 0.00 WT1 H ATOM 9712 H2 TIP3W8931 10.199 10.199 -3.176 1.00 0.00 WT1 H ATOM 9713 OH2 TIP3W8935 4.985 10.144 -10.842 1.00 0.00 WT1 O ATOM 9714 H1 TIP3W8935 5.907 10.116 -11.220 1.00 0.00 WT1 H ATOM 9715 H2 TIP3W8935 4.575 10.720 -11.455 1.00 0.00 WT1 H ATOM 9716 OH2 TIP3W8937 5.444 26.156 18.313 1.00 0.00 WT1 O ATOM 9717 H1 TIP3W8937 5.872 25.474 18.911 1.00 0.00 WT1 H ATOM 9718 H2 TIP3W8937 4.567 25.793 18.044 1.00 0.00 WT1 H ATOM 9719 OH2 TIP3W8939 6.290 14.862 10.243 1.00 0.00 WT1 O ATOM 9720 H1 TIP3W8939 6.754 14.319 10.909 1.00 0.00 WT1 H ATOM 9721 H2 TIP3W8939 5.805 15.568 10.770 1.00 0.00 WT1 H ATOM 9722 OH2 TIP3W8940 10.100 7.802 11.588 1.00 0.00 WT1 O ATOM 9723 H1 TIP3W8940 9.297 7.202 11.766 1.00 0.00 WT1 H ATOM 9724 H2 TIP3W8940 10.896 7.369 11.923 1.00 0.00 WT1 H ATOM 9725 OH2 TIP3W8949 13.092 15.757 -19.432 1.00 0.00 WT1 O ATOM 9726 H1 TIP3W8949 12.314 15.356 -18.997 1.00 0.00 WT1 H ATOM 9727 H2 TIP3W8949 13.450 14.992 -19.824 1.00 0.00 WT1 H ATOM 9728 OH2 TIP3W8950 52.210 36.320 -11.023 1.00 0.00 WT1 O ATOM 9729 H1 TIP3W8950 51.791 36.563 -11.861 1.00 0.00 WT1 H ATOM 9730 H2 TIP3W8950 52.210 37.171 -10.535 1.00 0.00 WT1 H ATOM 9731 OH2 TIP3W8952 11.903 8.066 1.822 1.00 0.00 WT1 O ATOM 9732 H1 TIP3W8952 12.406 8.743 2.319 1.00 0.00 WT1 H ATOM 9733 H2 TIP3W8952 11.278 8.619 1.274 1.00 0.00 WT1 H ATOM 9734 OH2 TIP3W8954 10.700 28.236 -14.623 1.00 0.00 WT1 O ATOM 9735 H1 TIP3W8954 11.099 28.320 -15.503 1.00 0.00 WT1 H ATOM 9736 H2 TIP3W8954 10.223 29.042 -14.552 1.00 0.00 WT1 H ATOM 9737 OH2 TIP3W8956 6.423 5.086 0.099 1.00 0.00 WT1 O ATOM 9738 H1 TIP3W8956 6.480 4.146 0.366 1.00 0.00 WT1 H ATOM 9739 H2 TIP3W8956 6.756 5.519 0.913 1.00 0.00 WT1 H ATOM 9740 OH2 TIP3W8960 7.055 9.816 17.369 1.00 0.00 WT1 O ATOM 9741 H1 TIP3W8960 6.612 9.207 16.829 1.00 0.00 WT1 H ATOM 9742 H2 TIP3W8960 6.442 9.986 18.066 1.00 0.00 WT1 H ATOM 9743 OH2 TIP3W8961 16.199 6.740 13.305 1.00 0.00 WT1 O ATOM 9744 H1 TIP3W8961 17.000 7.171 13.010 1.00 0.00 WT1 H ATOM 9745 H2 TIP3W8961 15.541 7.138 12.670 1.00 0.00 WT1 H ATOM 9746 OH2 TIP3W8972 8.110 29.724 -3.999 1.00 0.00 WT1 O ATOM 9747 H1 TIP3W8972 7.886 29.946 -4.962 1.00 0.00 WT1 H ATOM 9748 H2 TIP3W8972 8.136 28.754 -3.971 1.00 0.00 WT1 H ATOM 9749 OH2 TIP3W8973 7.971 23.884 -16.124 1.00 0.00 WT1 O ATOM 9750 H1 TIP3W8973 8.482 23.441 -16.798 1.00 0.00 WT1 H ATOM 9751 H2 TIP3W8973 8.358 23.623 -15.325 1.00 0.00 WT1 H ATOM 9752 OH2 TIP3W8976 13.242 25.957 -13.785 1.00 0.00 WT1 O ATOM 9753 H1 TIP3W8976 12.519 25.589 -13.183 1.00 0.00 WT1 H ATOM 9754 H2 TIP3W8976 14.072 25.465 -13.580 1.00 0.00 WT1 H ATOM 9755 OH2 TIP3W8977 6.893 14.693 -9.748 1.00 0.00 WT1 O ATOM 9756 H1 TIP3W8977 7.801 15.078 -9.735 1.00 0.00 WT1 H ATOM 9757 H2 TIP3W8977 6.622 14.882 -8.907 1.00 0.00 WT1 H ATOM 9758 OH2 TIP3W8978 47.990 20.699 -2.179 1.00 0.00 WT1 O ATOM 9759 H1 TIP3W8978 47.451 21.434 -2.465 1.00 0.00 WT1 H ATOM 9760 H2 TIP3W8978 47.597 19.990 -2.798 1.00 0.00 WT1 H ATOM 9761 OH2 TIP3W8988 6.556 19.453 -16.799 1.00 0.00 WT1 O ATOM 9762 H1 TIP3W8988 5.921 18.667 -16.909 1.00 0.00 WT1 H ATOM 9763 H2 TIP3W8988 7.389 19.043 -16.599 1.00 0.00 WT1 H ATOM 9764 OH2 TIP3W8994 15.444 32.035 5.854 1.00 0.00 WT1 O ATOM 9765 H1 TIP3W8994 14.647 32.459 6.252 1.00 0.00 WT1 H ATOM 9766 H2 TIP3W8994 15.030 31.302 5.369 1.00 0.00 WT1 H ATOM 9767 OH2 TIP3W9001 20.223 22.912 13.392 1.00 0.00 WT1 O ATOM 9768 H1 TIP3W9001 20.617 22.084 13.278 1.00 0.00 WT1 H ATOM 9769 H2 TIP3W9001 19.303 22.771 13.529 1.00 0.00 WT1 H ATOM 9770 OH2 TIP3W9017 5.359 18.447 9.369 1.00 0.00 WT1 O ATOM 9771 H1 TIP3W9017 5.172 18.220 10.283 1.00 0.00 WT1 H ATOM 9772 H2 TIP3W9017 4.730 17.888 8.847 1.00 0.00 WT1 H ATOM 9773 OH2 TIP3W9023 51.625 18.084 15.535 1.00 0.00 WT1 O ATOM 9774 H1 TIP3W9023 52.429 17.699 15.147 1.00 0.00 WT1 H ATOM 9775 H2 TIP3W9023 51.198 18.470 14.736 1.00 0.00 WT1 H ATOM 9776 OH2 TIP3W9035 6.857 34.417 -10.667 1.00 0.00 WT1 O ATOM 9777 H1 TIP3W9035 7.432 33.806 -11.172 1.00 0.00 WT1 H ATOM 9778 H2 TIP3W9035 6.044 33.892 -10.575 1.00 0.00 WT1 H ATOM 9779 OH2 TIP3W9037 13.657 33.739 7.595 1.00 0.00 WT1 O ATOM 9780 H1 TIP3W9037 13.659 33.080 8.287 1.00 0.00 WT1 H ATOM 9781 H2 TIP3W9037 13.444 34.583 8.088 1.00 0.00 WT1 H ATOM 9782 OH2 TIP3W9039 45.861 9.375 -9.083 1.00 0.00 WT1 O ATOM 9783 H1 TIP3W9039 45.511 10.031 -8.410 1.00 0.00 WT1 H ATOM 9784 H2 TIP3W9039 46.504 8.906 -8.565 1.00 0.00 WT1 H ATOM 9785 OH2 TIP3W9044 20.182 44.178 7.180 1.00 0.00 WT1 O ATOM 9786 H1 TIP3W9044 19.466 43.616 7.033 1.00 0.00 WT1 H ATOM 9787 H2 TIP3W9044 20.098 44.394 8.102 1.00 0.00 WT1 H ATOM 9788 OH2 TIP3W9047 9.026 26.959 -20.836 1.00 0.00 WT1 O ATOM 9789 H1 TIP3W9047 8.309 27.308 -20.304 1.00 0.00 WT1 H ATOM 9790 H2 TIP3W9047 8.877 25.981 -20.785 1.00 0.00 WT1 H ATOM 9791 OH2 TIP3W9055 7.315 28.367 -18.767 1.00 0.00 WT1 O ATOM 9792 H1 TIP3W9055 7.140 27.558 -18.298 1.00 0.00 WT1 H ATOM 9793 H2 TIP3W9055 8.089 28.760 -18.381 1.00 0.00 WT1 H ATOM 9794 OH2 TIP3W9056 13.764 36.133 3.298 1.00 0.00 WT1 O ATOM 9795 H1 TIP3W9056 13.658 35.168 3.195 1.00 0.00 WT1 H ATOM 9796 H2 TIP3W9056 14.293 36.177 4.137 1.00 0.00 WT1 H ATOM 9797 OH2 TIP3W9058 9.809 39.193 -4.498 1.00 0.00 WT1 O ATOM 9798 H1 TIP3W9058 9.973 40.187 -4.794 1.00 0.00 WT1 H ATOM 9799 H2 TIP3W9058 10.648 39.028 -4.098 1.00 0.00 WT1 H ATOM 9800 OH2 TIP3W9059 49.044 40.171 4.174 1.00 0.00 WT1 O ATOM 9801 H1 TIP3W9059 48.417 40.270 4.904 1.00 0.00 WT1 H ATOM 9802 H2 TIP3W9059 49.629 39.480 4.468 1.00 0.00 WT1 H ATOM 9803 OH2 TIP3W9073 5.230 49.014 -12.872 1.00 0.00 WT1 O ATOM 9804 H1 TIP3W9073 4.540 48.345 -13.034 1.00 0.00 WT1 H ATOM 9805 H2 TIP3W9073 4.922 49.810 -13.298 1.00 0.00 WT1 H ATOM 9806 OH2 TIP3W9079 10.349 42.780 -15.304 1.00 0.00 WT1 O ATOM 9807 H1 TIP3W9079 11.011 42.720 -16.056 1.00 0.00 WT1 H ATOM 9808 H2 TIP3W9079 10.326 41.850 -14.961 1.00 0.00 WT1 H ATOM 9809 OH2 TIP3W9082 12.466 16.134 -10.274 1.00 0.00 WT1 O ATOM 9810 H1 TIP3W9082 12.665 16.915 -10.873 1.00 0.00 WT1 H ATOM 9811 H2 TIP3W9082 12.644 15.390 -10.920 1.00 0.00 WT1 H ATOM 9812 OH2 TIP3W9084 13.058 27.738 12.827 1.00 0.00 WT1 O ATOM 9813 H1 TIP3W9084 12.765 28.200 12.081 1.00 0.00 WT1 H ATOM 9814 H2 TIP3W9084 12.307 27.162 13.003 1.00 0.00 WT1 H ATOM 9815 OH2 TIP3W9085 7.609 42.342 3.185 1.00 0.00 WT1 O ATOM 9816 H1 TIP3W9085 7.974 42.719 3.992 1.00 0.00 WT1 H ATOM 9817 H2 TIP3W9085 7.039 41.623 3.548 1.00 0.00 WT1 H ATOM 9818 OH2 TIP3W9093 14.302 34.399 -18.497 1.00 0.00 WT1 O ATOM 9819 H1 TIP3W9093 14.297 34.663 -19.456 1.00 0.00 WT1 H ATOM 9820 H2 TIP3W9093 15.240 34.568 -18.314 1.00 0.00 WT1 H ATOM 9821 OH2 TIP3W9096 7.225 12.767 -18.401 1.00 0.00 WT1 O ATOM 9822 H1 TIP3W9096 6.465 12.984 -17.878 1.00 0.00 WT1 H ATOM 9823 H2 TIP3W9096 7.029 11.903 -18.783 1.00 0.00 WT1 H ATOM 9824 OH2 TIP3W9097 7.507 44.693 -11.936 1.00 0.00 WT1 O ATOM 9825 H1 TIP3W9097 6.622 44.920 -12.321 1.00 0.00 WT1 H ATOM 9826 H2 TIP3W9097 7.575 43.761 -12.021 1.00 0.00 WT1 H ATOM 9827 OH2 TIP3W9102 6.666 39.852 12.732 1.00 0.00 WT1 O ATOM 9828 H1 TIP3W9102 7.390 39.188 12.645 1.00 0.00 WT1 H ATOM 9829 H2 TIP3W9102 7.162 40.648 12.848 1.00 0.00 WT1 H ATOM 9830 OH2 TIP3W9105 10.779 42.555 11.140 1.00 0.00 WT1 O ATOM 9831 H1 TIP3W9105 11.476 41.863 10.956 1.00 0.00 WT1 H ATOM 9832 H2 TIP3W9105 10.307 42.223 11.883 1.00 0.00 WT1 H ATOM 9833 OH2 TIP3W9106 12.696 48.334 20.667 1.00 0.00 WT1 O ATOM 9834 H1 TIP3W9106 12.589 48.633 21.547 1.00 0.00 WT1 H ATOM 9835 H2 TIP3W9106 12.945 47.413 20.812 1.00 0.00 WT1 H ATOM 9836 OH2 TIP3W9116 4.655 45.537 -10.603 1.00 0.00 WT1 O ATOM 9837 H1 TIP3W9116 4.790 44.725 -10.047 1.00 0.00 WT1 H ATOM 9838 H2 TIP3W9116 5.252 46.197 -10.222 1.00 0.00 WT1 H ATOM 9839 OH2 TIP3W9127 19.064 36.952 6.759 1.00 0.00 WT1 O ATOM 9840 H1 TIP3W9127 18.749 37.681 6.190 1.00 0.00 WT1 H ATOM 9841 H2 TIP3W9127 18.396 37.018 7.468 1.00 0.00 WT1 H ATOM 9842 OH2 TIP3W9128 12.102 41.075 20.837 1.00 0.00 WT1 O ATOM 9843 H1 TIP3W9128 11.560 40.437 21.374 1.00 0.00 WT1 H ATOM 9844 H2 TIP3W9128 12.957 40.584 20.771 1.00 0.00 WT1 H ATOM 9845 OH2 TIP3W9136 12.513 46.131 -10.343 1.00 0.00 WT1 O ATOM 9846 H1 TIP3W9136 12.398 46.007 -9.419 1.00 0.00 WT1 H ATOM 9847 H2 TIP3W9136 13.311 46.693 -10.404 1.00 0.00 WT1 H ATOM 9848 OH2 TIP3W9142 11.008 49.441 10.871 1.00 0.00 WT1 O ATOM 9849 H1 TIP3W9142 10.637 48.936 10.091 1.00 0.00 WT1 H ATOM 9850 H2 TIP3W9142 11.997 49.234 10.715 1.00 0.00 WT1 H ATOM 9851 OH2 TIP3W9144 5.979 39.001 -1.915 1.00 0.00 WT1 O ATOM 9852 H1 TIP3W9144 6.957 39.240 -2.005 1.00 0.00 WT1 H ATOM 9853 H2 TIP3W9144 5.893 38.228 -1.313 1.00 0.00 WT1 H ATOM 9854 OH2 TIP3W9145 23.804 44.966 -5.390 1.00 0.00 WT1 O ATOM 9855 H1 TIP3W9145 23.793 44.932 -4.432 1.00 0.00 WT1 H ATOM 9856 H2 TIP3W9145 24.787 44.947 -5.649 1.00 0.00 WT1 H ATOM 9857 OH2 TIP3W9161 10.475 45.591 -16.497 1.00 0.00 WT1 O ATOM 9858 H1 TIP3W9161 10.687 45.264 -15.660 1.00 0.00 WT1 H ATOM 9859 H2 TIP3W9161 10.655 44.802 -17.002 1.00 0.00 WT1 H ATOM 9860 OH2 TIP3W9162 6.654 43.034 -6.559 1.00 0.00 WT1 O ATOM 9861 H1 TIP3W9162 6.846 43.168 -5.657 1.00 0.00 WT1 H ATOM 9862 H2 TIP3W9162 6.839 42.060 -6.658 1.00 0.00 WT1 H ATOM 9863 OH2 TIP3W9165 11.697 -1.244 5.130 1.00 0.00 WT1 O ATOM 9864 H1 TIP3W9165 11.312 -0.499 4.639 1.00 0.00 WT1 H ATOM 9865 H2 TIP3W9165 11.256 -1.180 6.049 1.00 0.00 WT1 H ATOM 9866 OH2 TIP3W9181 14.004 46.744 -14.462 1.00 0.00 WT1 O ATOM 9867 H1 TIP3W9181 14.874 46.446 -14.779 1.00 0.00 WT1 H ATOM 9868 H2 TIP3W9181 13.782 46.085 -13.684 1.00 0.00 WT1 H ATOM 9869 OH2 TIP3W9183 5.317 47.612 -6.686 1.00 0.00 WT1 O ATOM 9870 H1 TIP3W9183 4.725 48.303 -7.074 1.00 0.00 WT1 H ATOM 9871 H2 TIP3W9183 5.769 47.321 -7.487 1.00 0.00 WT1 H ATOM 9872 OH2 TIP3W9184 6.971 48.811 -3.110 1.00 0.00 WT1 O ATOM 9873 H1 TIP3W9184 6.658 49.291 -3.902 1.00 0.00 WT1 H ATOM 9874 H2 TIP3W9184 7.950 48.698 -3.386 1.00 0.00 WT1 H ATOM 9875 OH2 TIP3W9188 6.915 41.937 15.218 1.00 0.00 WT1 O ATOM 9876 H1 TIP3W9188 6.933 42.698 15.838 1.00 0.00 WT1 H ATOM 9877 H2 TIP3W9188 5.959 41.802 14.994 1.00 0.00 WT1 H ATOM 9878 OH2 TIP3W9189 10.304 44.276 9.098 1.00 0.00 WT1 O ATOM 9879 H1 TIP3W9189 9.563 44.556 9.657 1.00 0.00 WT1 H ATOM 9880 H2 TIP3W9189 10.747 43.687 9.714 1.00 0.00 WT1 H ATOM 9881 OH2 TIP3W9196 12.905 44.669 17.572 1.00 0.00 WT1 O ATOM 9882 H1 TIP3W9196 12.150 44.066 17.291 1.00 0.00 WT1 H ATOM 9883 H2 TIP3W9196 12.506 45.552 17.662 1.00 0.00 WT1 H ATOM 9884 OH2 TIP3W9198 8.571 48.815 -18.066 1.00 0.00 WT1 O ATOM 9885 H1 TIP3W9198 8.763 49.686 -17.716 1.00 0.00 WT1 H ATOM 9886 H2 TIP3W9198 8.835 48.182 -17.446 1.00 0.00 WT1 H ATOM 9887 OH2 TIP3W9208 49.626 46.055 6.414 1.00 0.00 WT1 O ATOM 9888 H1 TIP3W9208 48.700 46.155 6.608 1.00 0.00 WT1 H ATOM 9889 H2 TIP3W9208 49.667 45.503 5.583 1.00 0.00 WT1 H ATOM 9890 OH2 TIP3W9212 9.166 0.253 15.705 1.00 0.00 WT1 O ATOM 9891 H1 TIP3W9212 9.821 0.342 15.044 1.00 0.00 WT1 H ATOM 9892 H2 TIP3W9212 9.660 -0.248 16.408 1.00 0.00 WT1 H ATOM 9893 OH2 TIP3W9226 12.888 -0.598 -15.443 1.00 0.00 WT1 O ATOM 9894 H1 TIP3W9226 12.238 -0.900 -16.101 1.00 0.00 WT1 H ATOM 9895 H2 TIP3W9226 12.873 0.371 -15.459 1.00 0.00 WT1 H ATOM 9896 OH2 TIP3W9234 14.641 4.532 18.521 1.00 0.00 WT1 O ATOM 9897 H1 TIP3W9234 14.497 4.193 17.623 1.00 0.00 WT1 H ATOM 9898 H2 TIP3W9234 14.797 5.516 18.351 1.00 0.00 WT1 H ATOM 9899 OH2 TIP3W9241 11.597 8.742 -7.979 1.00 0.00 WT1 O ATOM 9900 H1 TIP3W9241 10.941 8.043 -7.717 1.00 0.00 WT1 H ATOM 9901 H2 TIP3W9241 12.429 8.239 -7.942 1.00 0.00 WT1 H ATOM 9902 OH2 TIP3W9250 7.657 9.057 -1.980 1.00 0.00 WT1 O ATOM 9903 H1 TIP3W9250 7.102 9.525 -2.606 1.00 0.00 WT1 H ATOM 9904 H2 TIP3W9250 8.574 9.209 -2.338 1.00 0.00 WT1 H ATOM 9905 SOD SOD I 1 43.777 33.523 18.586 1.00 0.00 ION ATOM 9906 SOD SOD I 2 7.181 19.223 7.621 1.00 0.00 ION ATOM 9907 SOD SOD I 3 24.983 49.815 -19.041 1.00 0.00 ION ATOM 9908 SOD SOD I 4 45.949 18.904 -15.291 1.00 0.00 ION ATOM 9909 SOD SOD I 5 45.994 11.657 -5.072 1.00 0.00 ION ATOM 9910 SOD SOD I 6 17.690 27.600 -18.984 1.00 0.00 ION ATOM 9911 SOD SOD I 7 48.847 31.698 0.574 1.00 0.00 ION ATOM 9912 CLA CLA I 8 11.792 42.587 4.926 1.00 0.00 ION ATOM 9913 CLA CLA I 9 51.059 25.407 -7.596 1.00 0.00 ION ATOM 9914 CLA CLA I 10 48.906 41.822 12.495 1.00 0.00 ION ATOM 9915 CLA CLA I 11 40.239 41.581 16.923 1.00 0.00 ION ATOM 9916 CLA CLA I 12 45.961 12.085 -16.553 1.00 0.00 ION ATOM 9917 CLA CLA I 13 22.961 3.219 -13.373 1.00 0.00 ION ATOM 9918 CLA CLA I 14 8.599 24.245 -20.319 1.00 0.00 ION ATOM 9919 CLA CLA I 15 41.851 5.574 -4.424 1.00 0.00 ION ATOM 9920 CLA CLA I 16 29.899 3.840 -9.257 1.00 0.00 ION ATOM 9921 CLA CLA I 17 27.827 9.609 20.990 1.00 0.00 ION ATOM 9922 CLA CLA I 18 50.192 26.617 6.022 1.00 0.00 ION ATOM 9923 CLA CLA I 19 17.976 46.679 16.484 1.00 0.00 ION ATOM 9924 CLA CLA I 20 16.724 7.574 -7.885 1.00 0.00 ION ATOM 9925 CLA CLA I 21 40.838 29.548 -21.521 1.00 0.00 ION ATOM 9926 CLA CLA I 22 5.908 35.625 16.794 1.00 0.00 ION END If you find results from this site helpful for your research, please cite one of our papers:
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