REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 150000 ATOM 1 N MET X 355 -3.276 2.150 -36.597 1.00 0.00 A ATOM 2 HT1 MET X 355 -3.659 2.671 -37.457 1.00 0.00 A ATOM 3 HT2 MET X 355 -3.379 2.896 -35.876 1.00 0.00 A ATOM 4 HT3 MET X 355 -3.968 1.417 -36.235 1.00 0.00 A ATOM 5 CA MET X 355 -1.894 1.658 -36.649 1.00 0.00 A ATOM 6 HA MET X 355 -1.977 0.859 -37.347 1.00 0.00 A ATOM 7 CB MET X 355 -0.916 2.649 -37.368 1.00 0.00 A ATOM 8 HB1 MET X 355 0.001 2.074 -37.428 1.00 0.00 A ATOM 9 HB2 MET X 355 -1.348 2.872 -38.332 1.00 0.00 A ATOM 10 CG MET X 355 -0.556 3.969 -36.714 1.00 0.00 A ATOM 11 HG1 MET X 355 -0.006 4.650 -37.488 1.00 0.00 A ATOM 12 HG2 MET X 355 -1.511 4.456 -36.351 1.00 0.00 A ATOM 13 SD MET X 355 0.645 4.009 -35.293 1.00 0.00 A ATOM 14 CE MET X 355 1.120 5.791 -35.400 1.00 0.00 A ATOM 15 HE1 MET X 355 2.091 5.859 -34.947 1.00 0.00 A ATOM 16 HE2 MET X 355 1.263 6.109 -36.426 1.00 0.00 A ATOM 17 HE3 MET X 355 0.414 6.506 -34.881 1.00 0.00 A ATOM 18 C MET X 355 -1.479 1.299 -35.342 1.00 0.00 A ATOM 19 O MET X 355 -1.885 1.826 -34.305 1.00 0.00 A ATOM 20 N LYS X 356 -0.594 0.227 -35.282 1.00 0.00 A ATOM 21 HN LYS X 356 -0.227 -0.070 -36.165 1.00 0.00 A ATOM 22 CA LYS X 356 -0.212 -0.509 -34.099 1.00 0.00 A ATOM 23 HA LYS X 356 -1.099 -1.115 -33.886 1.00 0.00 A ATOM 24 CB LYS X 356 1.056 -1.406 -34.220 1.00 0.00 A ATOM 25 HB1 LYS X 356 1.046 -1.880 -35.229 1.00 0.00 A ATOM 26 HB2 LYS X 356 1.935 -0.764 -34.162 1.00 0.00 A ATOM 27 CG LYS X 356 1.192 -2.491 -33.240 1.00 0.00 A ATOM 28 HG1 LYS X 356 1.175 -1.944 -32.250 1.00 0.00 A ATOM 29 HG2 LYS X 356 0.206 -3.014 -33.128 1.00 0.00 A ATOM 30 CD LYS X 356 2.315 -3.535 -33.479 1.00 0.00 A ATOM 31 HD1 LYS X 356 2.360 -3.690 -34.516 1.00 0.00 A ATOM 32 HD2 LYS X 356 3.277 -3.085 -33.225 1.00 0.00 A ATOM 33 CE LYS X 356 2.248 -4.763 -32.673 1.00 0.00 A ATOM 34 HE1 LYS X 356 1.330 -5.424 -32.907 1.00 0.00 A ATOM 35 HE2 LYS X 356 3.187 -5.348 -32.929 1.00 0.00 A ATOM 36 NZ LYS X 356 2.336 -4.508 -31.269 1.00 0.00 A ATOM 37 HZ1 LYS X 356 2.399 -5.370 -30.764 1.00 0.00 A ATOM 38 HZ2 LYS X 356 3.179 -3.927 -31.078 1.00 0.00 A ATOM 39 HZ3 LYS X 356 1.553 -3.786 -31.035 1.00 0.00 A ATOM 40 C LYS X 356 -0.092 0.339 -32.843 1.00 0.00 A ATOM 41 O LYS X 356 -0.969 0.168 -31.918 1.00 0.00 A ATOM 42 N GLN X 357 0.847 1.313 -32.668 1.00 0.00 A ATOM 43 HN GLN X 357 1.505 1.483 -33.352 1.00 0.00 A ATOM 44 CA GLN X 357 1.019 1.955 -31.389 1.00 0.00 A ATOM 45 HA GLN X 357 1.237 1.148 -30.685 1.00 0.00 A ATOM 46 CB GLN X 357 2.336 2.759 -31.420 1.00 0.00 A ATOM 47 HB1 GLN X 357 3.224 2.264 -31.829 1.00 0.00 A ATOM 48 HB2 GLN X 357 2.198 3.656 -32.080 1.00 0.00 A ATOM 49 CG GLN X 357 2.692 3.348 -30.090 1.00 0.00 A ATOM 50 HG1 GLN X 357 3.601 3.914 -30.292 1.00 0.00 A ATOM 51 HG2 GLN X 357 1.994 4.166 -29.777 1.00 0.00 A ATOM 52 CD GLN X 357 2.985 2.366 -28.919 1.00 0.00 A ATOM 53 OE1 GLN X 357 4.059 1.767 -28.808 1.00 0.00 A ATOM 54 NE2 GLN X 357 2.004 2.207 -27.995 1.00 0.00 A ATOM 55 HE21 GLN X 357 2.114 1.622 -27.262 1.00 0.00 A ATOM 56 HE22 GLN X 357 1.142 2.789 -28.019 1.00 0.00 A ATOM 57 C GLN X 357 -0.131 2.744 -30.773 1.00 0.00 A ATOM 58 O GLN X 357 -0.373 2.682 -29.561 1.00 0.00 A ATOM 59 N LEU X 358 -0.874 3.558 -31.582 1.00 0.00 A ATOM 60 HN LEU X 358 -0.666 3.603 -32.540 1.00 0.00 A ATOM 61 CA LEU X 358 -2.049 4.278 -31.068 1.00 0.00 A ATOM 62 HA LEU X 358 -1.759 4.762 -30.179 1.00 0.00 A ATOM 63 CB LEU X 358 -2.561 5.313 -32.088 1.00 0.00 A ATOM 64 HB1 LEU X 358 -3.072 4.869 -32.928 1.00 0.00 A ATOM 65 HB2 LEU X 358 -3.321 5.959 -31.572 1.00 0.00 A ATOM 66 CG LEU X 358 -1.454 6.137 -32.730 1.00 0.00 A ATOM 67 HG LEU X 358 -0.817 5.405 -33.269 1.00 0.00 A ATOM 68 CD1 LEU X 358 -2.128 7.094 -33.691 1.00 0.00 A ATOM 69 HD11 LEU X 358 -1.307 7.854 -33.983 1.00 0.00 A ATOM 70 HD12 LEU X 358 -2.332 6.572 -34.644 1.00 0.00 A ATOM 71 HD13 LEU X 358 -3.046 7.562 -33.265 1.00 0.00 A ATOM 72 CD2 LEU X 358 -0.501 6.790 -31.746 1.00 0.00 A ATOM 73 HD21 LEU X 358 0.110 5.935 -31.283 1.00 0.00 A ATOM 74 HD22 LEU X 358 0.175 7.483 -32.306 1.00 0.00 A ATOM 75 HD23 LEU X 358 -1.107 7.349 -30.954 1.00 0.00 A ATOM 76 C LEU X 358 -3.152 3.312 -30.701 1.00 0.00 A ATOM 77 O LEU X 358 -3.833 3.599 -29.661 1.00 0.00 A ATOM 78 N GLU X 359 -3.330 2.213 -31.426 1.00 0.00 A ATOM 79 HN GLU X 359 -2.854 2.126 -32.295 1.00 0.00 A ATOM 80 CA GLU X 359 -4.276 1.118 -31.065 1.00 0.00 A ATOM 81 HA GLU X 359 -5.230 1.485 -30.856 1.00 0.00 A ATOM 82 CB GLU X 359 -4.299 0.149 -32.327 1.00 0.00 A ATOM 83 HB1 GLU X 359 -3.257 0.180 -32.650 1.00 0.00 A ATOM 84 HB2 GLU X 359 -4.554 -0.921 -32.115 1.00 0.00 A ATOM 85 CG GLU X 359 -5.293 0.735 -33.398 1.00 0.00 A ATOM 86 HG1 GLU X 359 -6.283 0.785 -32.895 1.00 0.00 A ATOM 87 HG2 GLU X 359 -5.052 1.776 -33.609 1.00 0.00 A ATOM 88 CD GLU X 359 -5.392 -0.115 -34.611 1.00 0.00 A ATOM 89 OE1 GLU X 359 -5.945 -1.226 -34.490 1.00 0.00 A ATOM 90 OE2 GLU X 359 -4.851 0.292 -35.697 1.00 0.00 A ATOM 91 C GLU X 359 -3.843 0.337 -29.780 1.00 0.00 A ATOM 92 O GLU X 359 -4.692 0.140 -28.893 1.00 0.00 A ATOM 93 N ASP X 360 -2.549 -0.027 -29.669 1.00 0.00 A ATOM 94 HN ASP X 360 -1.887 -0.020 -30.395 1.00 0.00 A ATOM 95 CA ASP X 360 -1.901 -0.570 -28.542 1.00 0.00 A ATOM 96 HA ASP X 360 -2.596 -1.429 -28.310 1.00 0.00 A ATOM 97 CB ASP X 360 -0.430 -0.952 -28.912 1.00 0.00 A ATOM 98 HB1 ASP X 360 0.103 -0.240 -29.538 1.00 0.00 A ATOM 99 HB2 ASP X 360 0.171 -0.848 -27.977 1.00 0.00 A ATOM 100 CG ASP X 360 -0.259 -2.404 -29.377 1.00 0.00 A ATOM 101 OD1 ASP X 360 0.726 -2.751 -30.079 1.00 0.00 A ATOM 102 OD2 ASP X 360 -1.048 -3.305 -29.024 1.00 0.00 A ATOM 103 C ASP X 360 -1.974 0.398 -27.328 1.00 0.00 A ATOM 104 O ASP X 360 -2.404 -0.142 -26.307 1.00 0.00 A ATOM 105 N LYS X 361 -1.503 1.663 -27.289 1.00 0.00 A ATOM 106 HN LYS X 361 -1.005 2.093 -28.133 1.00 0.00 A ATOM 107 CA LYS X 361 -1.678 2.553 -26.163 1.00 0.00 A ATOM 108 HA LYS X 361 -1.146 2.212 -25.265 1.00 0.00 A ATOM 109 CB LYS X 361 -0.973 3.963 -26.476 1.00 0.00 A ATOM 110 HB1 LYS X 361 0.021 3.842 -26.837 1.00 0.00 A ATOM 111 HB2 LYS X 361 -1.606 4.331 -27.293 1.00 0.00 A ATOM 112 CG LYS X 361 -1.186 5.045 -25.401 1.00 0.00 A ATOM 113 HG1 LYS X 361 -0.742 5.982 -25.858 1.00 0.00 A ATOM 114 HG2 LYS X 361 -2.262 5.304 -25.216 1.00 0.00 A ATOM 115 CD LYS X 361 -0.560 4.649 -24.010 1.00 0.00 A ATOM 116 HD1 LYS X 361 -0.686 5.480 -23.340 1.00 0.00 A ATOM 117 HD2 LYS X 361 -1.139 3.814 -23.590 1.00 0.00 A ATOM 118 CE LYS X 361 0.914 4.259 -24.074 1.00 0.00 A ATOM 119 HE1 LYS X 361 1.163 3.270 -24.620 1.00 0.00 A ATOM 120 HE2 LYS X 361 1.428 5.090 -24.602 1.00 0.00 A ATOM 121 NZ LYS X 361 1.562 4.097 -22.765 1.00 0.00 A ATOM 122 HZ1 LYS X 361 1.104 4.633 -22.005 1.00 0.00 A ATOM 123 HZ2 LYS X 361 1.500 3.052 -22.494 1.00 0.00 A ATOM 124 HZ3 LYS X 361 2.559 4.371 -22.885 1.00 0.00 A ATOM 125 C LYS X 361 -3.126 2.795 -25.731 1.00 0.00 A ATOM 126 O LYS X 361 -3.465 2.744 -24.570 1.00 0.00 A ATOM 127 N VAL X 362 -4.103 2.879 -26.671 1.00 0.00 A ATOM 128 HN VAL X 362 -3.862 3.059 -27.663 1.00 0.00 A ATOM 129 CA VAL X 362 -5.511 2.849 -26.327 1.00 0.00 A ATOM 130 HA VAL X 362 -5.702 3.729 -25.662 1.00 0.00 A ATOM 131 CB VAL X 362 -6.365 2.899 -27.535 1.00 0.00 A ATOM 132 HB VAL X 362 -5.961 2.189 -28.290 1.00 0.00 A ATOM 133 CG1 VAL X 362 -7.844 2.542 -27.251 1.00 0.00 A ATOM 134 HG11 VAL X 362 -8.296 3.289 -26.587 1.00 0.00 A ATOM 135 HG12 VAL X 362 -8.457 2.557 -28.166 1.00 0.00 A ATOM 136 HG13 VAL X 362 -8.023 1.579 -26.756 1.00 0.00 A ATOM 137 CG2 VAL X 362 -6.360 4.307 -27.982 1.00 0.00 A ATOM 138 HG21 VAL X 362 -5.341 4.731 -28.141 1.00 0.00 A ATOM 139 HG22 VAL X 362 -7.015 4.607 -28.774 1.00 0.00 A ATOM 140 HG23 VAL X 362 -6.762 4.857 -27.125 1.00 0.00 A ATOM 141 C VAL X 362 -5.840 1.617 -25.425 1.00 0.00 A ATOM 142 O VAL X 362 -6.485 1.786 -24.370 1.00 0.00 A ATOM 143 N GLU X 363 -5.452 0.474 -25.878 1.00 0.00 A ATOM 144 HN GLU X 363 -5.005 0.379 -26.791 1.00 0.00 A ATOM 145 CA GLU X 363 -5.688 -0.787 -25.213 1.00 0.00 A ATOM 146 HA GLU X 363 -6.789 -0.858 -24.974 1.00 0.00 A ATOM 147 CB GLU X 363 -5.366 -1.932 -26.333 1.00 0.00 A ATOM 148 HB1 GLU X 363 -6.265 -1.907 -26.980 1.00 0.00 A ATOM 149 HB2 GLU X 363 -4.472 -1.569 -26.920 1.00 0.00 A ATOM 150 CG GLU X 363 -5.139 -3.365 -25.852 1.00 0.00 A ATOM 151 HG1 GLU X 363 -4.224 -3.260 -25.225 1.00 0.00 A ATOM 152 HG2 GLU X 363 -5.835 -3.840 -25.148 1.00 0.00 A ATOM 153 CD GLU X 363 -4.915 -4.268 -27.040 1.00 0.00 A ATOM 154 OE1 GLU X 363 -4.040 -5.124 -26.894 1.00 0.00 A ATOM 155 OE2 GLU X 363 -5.556 -4.172 -28.113 1.00 0.00 A ATOM 156 C GLU X 363 -4.916 -0.957 -23.906 1.00 0.00 A ATOM 157 O GLU X 363 -5.548 -1.512 -23.024 1.00 0.00 A ATOM 158 N GLU X 364 -3.685 -0.454 -23.895 1.00 0.00 A ATOM 159 HN GLU X 364 -3.312 -0.208 -24.790 1.00 0.00 A ATOM 160 CA GLU X 364 -2.873 -0.392 -22.693 1.00 0.00 A ATOM 161 HA GLU X 364 -2.823 -1.484 -22.321 1.00 0.00 A ATOM 162 CB GLU X 364 -1.405 0.026 -23.003 1.00 0.00 A ATOM 163 HB1 GLU X 364 -1.082 -0.671 -23.844 1.00 0.00 A ATOM 164 HB2 GLU X 364 -1.525 1.089 -23.451 1.00 0.00 A ATOM 165 CG GLU X 364 -0.447 -0.217 -21.907 1.00 0.00 A ATOM 166 HG1 GLU X 364 -0.803 0.212 -20.894 1.00 0.00 A ATOM 167 HG2 GLU X 364 -0.294 -1.278 -21.680 1.00 0.00 A ATOM 168 CD GLU X 364 0.916 0.317 -22.163 1.00 0.00 A ATOM 169 OE1 GLU X 364 1.629 -0.381 -22.919 1.00 0.00 A ATOM 170 OE2 GLU X 364 1.255 1.416 -21.585 1.00 0.00 A ATOM 171 C GLU X 364 -3.421 0.511 -21.560 1.00 0.00 A ATOM 172 O GLU X 364 -3.195 0.201 -20.408 1.00 0.00 A ATOM 173 N LEU X 365 -4.143 1.598 -21.944 1.00 0.00 A ATOM 174 HN LEU X 365 -4.367 1.899 -22.888 1.00 0.00 A ATOM 175 CA LEU X 365 -4.657 2.519 -20.983 1.00 0.00 A ATOM 176 HA LEU X 365 -3.966 2.737 -20.148 1.00 0.00 A ATOM 177 CB LEU X 365 -5.118 3.882 -21.579 1.00 0.00 A ATOM 178 HB1 LEU X 365 -5.847 3.679 -22.464 1.00 0.00 A ATOM 179 HB2 LEU X 365 -5.585 4.428 -20.740 1.00 0.00 A ATOM 180 CG LEU X 365 -4.086 4.828 -22.175 1.00 0.00 A ATOM 181 HG LEU X 365 -3.556 4.302 -23.019 1.00 0.00 A ATOM 182 CD1 LEU X 365 -4.777 6.062 -22.732 1.00 0.00 A ATOM 183 HD11 LEU X 365 -5.285 6.533 -21.887 1.00 0.00 A ATOM 184 HD12 LEU X 365 -3.992 6.731 -23.182 1.00 0.00 A ATOM 185 HD13 LEU X 365 -5.596 5.849 -23.416 1.00 0.00 A ATOM 186 CD2 LEU X 365 -3.106 5.248 -21.061 1.00 0.00 A ATOM 187 HD21 LEU X 365 -2.406 4.451 -20.843 1.00 0.00 A ATOM 188 HD22 LEU X 365 -2.643 6.243 -21.333 1.00 0.00 A ATOM 189 HD23 LEU X 365 -3.610 5.482 -20.170 1.00 0.00 A ATOM 190 C LEU X 365 -5.845 1.864 -20.203 1.00 0.00 A ATOM 191 O LEU X 365 -5.922 1.891 -18.986 1.00 0.00 A ATOM 192 N LEU X 366 -6.684 1.140 -21.020 1.00 0.00 A ATOM 193 HN LEU X 366 -6.598 1.181 -21.978 1.00 0.00 A ATOM 194 CA LEU X 366 -7.711 0.265 -20.583 1.00 0.00 A ATOM 195 HA LEU X 366 -8.282 0.763 -19.766 1.00 0.00 A ATOM 196 CB LEU X 366 -8.568 -0.124 -21.801 1.00 0.00 A ATOM 197 HB1 LEU X 366 -8.627 0.713 -22.488 1.00 0.00 A ATOM 198 HB2 LEU X 366 -8.148 -0.980 -22.356 1.00 0.00 A ATOM 199 CG LEU X 366 -10.087 -0.395 -21.606 1.00 0.00 A ATOM 200 HG LEU X 366 -10.407 0.214 -20.719 1.00 0.00 A ATOM 201 CD1 LEU X 366 -10.817 0.111 -22.775 1.00 0.00 A ATOM 202 HD11 LEU X 366 -10.662 1.238 -22.782 1.00 0.00 A ATOM 203 HD12 LEU X 366 -10.360 -0.424 -23.641 1.00 0.00 A ATOM 204 HD13 LEU X 366 -11.850 -0.109 -22.667 1.00 0.00 A ATOM 205 CD2 LEU X 366 -10.316 -1.918 -21.396 1.00 0.00 A ATOM 206 HD21 LEU X 366 -9.669 -2.322 -20.605 1.00 0.00 A ATOM 207 HD22 LEU X 366 -11.385 -2.040 -21.021 1.00 0.00 A ATOM 208 HD23 LEU X 366 -10.094 -2.496 -22.334 1.00 0.00 A ATOM 209 C LEU X 366 -7.235 -0.958 -19.818 1.00 0.00 A ATOM 210 O LEU X 366 -7.886 -1.283 -18.838 1.00 0.00 A ATOM 211 N SER X 367 -5.999 -1.486 -20.074 1.00 0.00 A ATOM 212 HN SER X 367 -5.535 -1.185 -20.909 1.00 0.00 A ATOM 213 CA SER X 367 -5.342 -2.634 -19.254 1.00 0.00 A ATOM 214 HA SER X 367 -6.139 -3.414 -19.163 1.00 0.00 A ATOM 215 CB SER X 367 -4.146 -3.193 -20.072 1.00 0.00 A ATOM 216 HB1 SER X 367 -4.607 -3.411 -21.131 1.00 0.00 A ATOM 217 HB2 SER X 367 -3.366 -2.348 -20.113 1.00 0.00 A ATOM 218 OG SER X 367 -3.625 -4.399 -19.570 1.00 0.00 A ATOM 219 HG1 SER X 367 -3.245 -4.802 -20.351 1.00 0.00 A ATOM 220 C SER X 367 -4.897 -2.046 -17.946 1.00 0.00 A ATOM 221 O SER X 367 -5.203 -2.615 -16.898 1.00 0.00 A ATOM 222 N LYS X 368 -4.220 -0.894 -18.001 1.00 0.00 A ATOM 223 HN LYS X 368 -3.821 -0.501 -18.839 1.00 0.00 A ATOM 224 CA LYS X 368 -3.713 -0.217 -16.795 1.00 0.00 A ATOM 225 HA LYS X 368 -3.183 -0.936 -16.227 1.00 0.00 A ATOM 226 CB LYS X 368 -2.801 1.047 -17.199 1.00 0.00 A ATOM 227 HB1 LYS X 368 -3.232 1.524 -18.097 1.00 0.00 A ATOM 228 HB2 LYS X 368 -2.809 1.878 -16.467 1.00 0.00 A ATOM 229 CG LYS X 368 -1.365 0.589 -17.455 1.00 0.00 A ATOM 230 HG1 LYS X 368 -0.958 0.327 -16.459 1.00 0.00 A ATOM 231 HG2 LYS X 368 -1.343 -0.280 -18.138 1.00 0.00 A ATOM 232 CD LYS X 368 -0.481 1.640 -18.138 1.00 0.00 A ATOM 233 HD1 LYS X 368 -0.796 1.803 -19.191 1.00 0.00 A ATOM 234 HD2 LYS X 368 -0.508 2.542 -17.483 1.00 0.00 A ATOM 235 CE LYS X 368 0.956 1.152 -18.241 1.00 0.00 A ATOM 236 HE1 LYS X 368 1.324 0.999 -17.194 1.00 0.00 A ATOM 237 HE2 LYS X 368 1.022 0.245 -18.814 1.00 0.00 A ATOM 238 NZ LYS X 368 1.799 2.155 -18.991 1.00 0.00 A ATOM 239 HZ1 LYS X 368 2.756 1.825 -19.240 1.00 0.00 A ATOM 240 HZ2 LYS X 368 1.400 2.134 -19.997 1.00 0.00 A ATOM 241 HZ3 LYS X 368 1.821 3.060 -18.502 1.00 0.00 A ATOM 242 C LYS X 368 -4.819 0.157 -15.777 1.00 0.00 A ATOM 243 O LYS X 368 -4.776 -0.313 -14.667 1.00 0.00 A ATOM 244 N ASN X 369 -5.839 0.935 -16.254 1.00 0.00 A ATOM 245 HN ASN X 369 -5.740 1.454 -17.097 1.00 0.00 A ATOM 246 CA ASN X 369 -7.094 1.211 -15.531 1.00 0.00 A ATOM 247 HA ASN X 369 -6.777 1.840 -14.738 1.00 0.00 A ATOM 248 CB ASN X 369 -8.082 1.924 -16.410 1.00 0.00 A ATOM 249 HB1 ASN X 369 -8.260 1.433 -17.328 1.00 0.00 A ATOM 250 HB2 ASN X 369 -9.095 1.991 -15.828 1.00 0.00 A ATOM 251 CG ASN X 369 -7.744 3.386 -16.758 1.00 0.00 A ATOM 252 OD1 ASN X 369 -6.719 3.927 -16.314 1.00 0.00 A ATOM 253 ND2 ASN X 369 -8.798 4.012 -17.357 1.00 0.00 A ATOM 254 HD21 ASN X 369 -8.859 4.990 -17.411 1.00 0.00 A ATOM 255 HD22 ASN X 369 -9.339 3.454 -18.019 1.00 0.00 A ATOM 256 C ASN X 369 -7.764 0.030 -14.830 1.00 0.00 A ATOM 257 O ASN X 369 -8.148 0.138 -13.668 1.00 0.00 A ATOM 258 N TYR X 370 -7.774 -1.166 -15.559 1.00 0.00 A ATOM 259 HN TYR X 370 -7.431 -1.139 -16.566 1.00 0.00 A ATOM 260 CA TYR X 370 -8.234 -2.473 -15.074 1.00 0.00 A ATOM 261 HA TYR X 370 -9.176 -2.239 -14.687 1.00 0.00 A ATOM 262 CB TYR X 370 -8.463 -3.446 -16.289 1.00 0.00 A ATOM 263 HB1 TYR X 370 -9.385 -3.217 -16.801 1.00 0.00 A ATOM 264 HB2 TYR X 370 -7.656 -3.311 -17.065 1.00 0.00 A ATOM 265 CG TYR X 370 -8.517 -4.894 -15.876 1.00 0.00 A ATOM 266 CD1 TYR X 370 -9.549 -5.399 -15.146 1.00 0.00 A ATOM 267 HD1 TYR X 370 -10.481 -4.890 -14.932 1.00 0.00 A ATOM 268 CE1 TYR X 370 -9.423 -6.674 -14.598 1.00 0.00 A ATOM 269 HE1 TYR X 370 -10.182 -7.064 -13.904 1.00 0.00 A ATOM 270 CZ TYR X 370 -8.296 -7.494 -14.858 1.00 0.00 A ATOM 271 OH TYR X 370 -8.322 -8.821 -14.367 1.00 0.00 A ATOM 272 HH TYR X 370 -7.417 -9.226 -14.548 1.00 0.00 A ATOM 273 CD2 TYR X 370 -7.333 -5.618 -16.101 1.00 0.00 A ATOM 274 HD2 TYR X 370 -6.580 -5.201 -16.642 1.00 0.00 A ATOM 275 CE2 TYR X 370 -7.258 -6.904 -15.548 1.00 0.00 A ATOM 276 HE2 TYR X 370 -6.391 -7.547 -15.886 1.00 0.00 A ATOM 277 C TYR X 370 -7.298 -3.024 -13.935 1.00 0.00 A ATOM 278 O TYR X 370 -7.795 -3.380 -12.839 1.00 0.00 A ATOM 279 N HSE X 371 -6.008 -3.037 -14.087 1.00 0.00 A ATOM 280 HN HSE X 371 -5.609 -2.787 -14.989 1.00 0.00 A ATOM 281 CA HSE X 371 -5.057 -3.579 -13.149 1.00 0.00 A ATOM 282 HA HSE X 371 -5.410 -4.543 -12.917 1.00 0.00 A ATOM 283 CB HSE X 371 -3.639 -3.899 -13.819 1.00 0.00 A ATOM 284 HB1 HSE X 371 -3.209 -2.972 -14.233 1.00 0.00 A ATOM 285 HB2 HSE X 371 -2.975 -4.146 -13.026 1.00 0.00 A ATOM 286 ND1 HSE X 371 -3.898 -6.382 -14.428 1.00 0.00 A ATOM 287 CG HSE X 371 -3.625 -5.093 -14.779 1.00 0.00 A ATOM 288 CE1 HSE X 371 -3.784 -7.075 -15.552 1.00 0.00 A ATOM 289 HE1 HSE X 371 -4.062 -8.105 -15.723 1.00 0.00 A ATOM 290 NE2 HSE X 371 -3.406 -6.276 -16.623 1.00 0.00 A ATOM 291 HE2 HSE X 371 -3.142 -6.614 -17.576 1.00 0.00 A ATOM 292 CD2 HSE X 371 -3.305 -5.026 -16.097 1.00 0.00 A ATOM 293 HD2 HSE X 371 -2.925 -4.119 -16.622 1.00 0.00 A ATOM 294 C HSE X 371 -4.744 -2.735 -11.882 1.00 0.00 A ATOM 295 O HSE X 371 -4.644 -3.238 -10.703 1.00 0.00 A ATOM 296 N LEU X 372 -4.687 -1.359 -12.071 1.00 0.00 A ATOM 297 HN LEU X 372 -4.881 -0.846 -13.001 1.00 0.00 A ATOM 298 CA LEU X 372 -4.636 -0.423 -10.976 1.00 0.00 A ATOM 299 HA LEU X 372 -3.734 -0.596 -10.352 1.00 0.00 A ATOM 300 CB LEU X 372 -4.634 0.975 -11.555 1.00 0.00 A ATOM 301 HB1 LEU X 372 -5.568 1.077 -12.195 1.00 0.00 A ATOM 302 HB2 LEU X 372 -4.718 1.749 -10.715 1.00 0.00 A ATOM 303 CG LEU X 372 -3.363 1.202 -12.284 1.00 0.00 A ATOM 304 HG LEU X 372 -3.164 0.371 -13.010 1.00 0.00 A ATOM 305 CD1 LEU X 372 -3.381 2.544 -12.995 1.00 0.00 A ATOM 306 HD11 LEU X 372 -4.294 2.642 -13.569 1.00 0.00 A ATOM 307 HD12 LEU X 372 -3.264 3.342 -12.160 1.00 0.00 A ATOM 308 HD13 LEU X 372 -2.455 2.561 -13.599 1.00 0.00 A ATOM 309 CD2 LEU X 372 -2.024 1.062 -11.436 1.00 0.00 A ATOM 310 HD21 LEU X 372 -1.907 1.917 -10.642 1.00 0.00 A ATOM 311 HD22 LEU X 372 -1.944 0.146 -10.929 1.00 0.00 A ATOM 312 HD23 LEU X 372 -1.208 1.166 -12.154 1.00 0.00 A ATOM 313 C LEU X 372 -5.845 -0.558 -10.037 1.00 0.00 A ATOM 314 O LEU X 372 -5.607 -0.541 -8.853 1.00 0.00 A ATOM 315 N GLU X 373 -7.102 -0.713 -10.630 1.00 0.00 A ATOM 316 HN GLU X 373 -7.162 -0.873 -11.636 1.00 0.00 A ATOM 317 CA GLU X 373 -8.300 -0.848 -9.796 1.00 0.00 A ATOM 318 HA GLU X 373 -8.470 -0.003 -9.162 1.00 0.00 A ATOM 319 CB GLU X 373 -9.463 -1.010 -10.801 1.00 0.00 A ATOM 320 HB1 GLU X 373 -9.353 -0.150 -11.514 1.00 0.00 A ATOM 321 HB2 GLU X 373 -9.302 -1.914 -11.340 1.00 0.00 A ATOM 322 CG GLU X 373 -10.838 -0.776 -10.194 1.00 0.00 A ATOM 323 HG1 GLU X 373 -11.012 -1.576 -9.396 1.00 0.00 A ATOM 324 HG2 GLU X 373 -10.868 0.206 -9.693 1.00 0.00 A ATOM 325 CD GLU X 373 -12.010 -0.830 -11.161 1.00 0.00 A ATOM 326 OE1 GLU X 373 -12.382 0.238 -11.730 1.00 0.00 A ATOM 327 OE2 GLU X 373 -12.598 -1.981 -11.326 1.00 0.00 A ATOM 328 C GLU X 373 -8.248 -2.108 -8.950 1.00 0.00 A ATOM 329 O GLU X 373 -8.674 -2.039 -7.788 1.00 0.00 A ATOM 330 N ASN X 374 -7.671 -3.208 -9.496 1.00 0.00 A ATOM 331 HN ASN X 374 -7.373 -3.138 -10.406 1.00 0.00 A ATOM 332 CA ASN X 374 -7.446 -4.421 -8.730 1.00 0.00 A ATOM 333 HA ASN X 374 -8.366 -4.712 -8.259 1.00 0.00 A ATOM 334 CB ASN X 374 -7.097 -5.550 -9.802 1.00 0.00 A ATOM 335 HB1 ASN X 374 -6.413 -5.204 -10.595 1.00 0.00 A ATOM 336 HB2 ASN X 374 -6.473 -6.370 -9.373 1.00 0.00 A ATOM 337 CG ASN X 374 -8.376 -6.147 -10.312 1.00 0.00 A ATOM 338 OD1 ASN X 374 -8.725 -7.225 -9.928 1.00 0.00 A ATOM 339 ND2 ASN X 374 -9.098 -5.414 -11.176 1.00 0.00 A ATOM 340 HD21 ASN X 374 -9.984 -5.832 -11.482 1.00 0.00 A ATOM 341 HD22 ASN X 374 -8.718 -4.613 -11.597 1.00 0.00 A ATOM 342 C ASN X 374 -6.375 -4.300 -7.702 1.00 0.00 A ATOM 343 O ASN X 374 -6.630 -4.536 -6.499 1.00 0.00 A ATOM 344 N GLU X 375 -5.156 -3.966 -8.080 1.00 0.00 A ATOM 345 HN GLU X 375 -5.125 -3.649 -9.063 1.00 0.00 A ATOM 346 CA GLU X 375 -4.038 -3.688 -7.205 1.00 0.00 A ATOM 347 HA GLU X 375 -3.789 -4.677 -6.803 1.00 0.00 A ATOM 348 CB GLU X 375 -2.804 -3.183 -8.029 1.00 0.00 A ATOM 349 HB1 GLU X 375 -2.638 -3.832 -8.938 1.00 0.00 A ATOM 350 HB2 GLU X 375 -2.823 -2.150 -8.376 1.00 0.00 A ATOM 351 CG GLU X 375 -1.412 -3.381 -7.318 1.00 0.00 A ATOM 352 HG1 GLU X 375 -1.373 -2.533 -6.568 1.00 0.00 A ATOM 353 HG2 GLU X 375 -1.358 -4.362 -6.785 1.00 0.00 A ATOM 354 CD GLU X 375 -0.312 -3.216 -8.398 1.00 0.00 A ATOM 355 OE1 GLU X 375 0.694 -4.070 -8.455 1.00 0.00 A ATOM 356 OE2 GLU X 375 -0.458 -2.261 -9.226 1.00 0.00 A ATOM 357 C GLU X 375 -4.343 -2.819 -6.052 1.00 0.00 A ATOM 358 O GLU X 375 -4.022 -3.188 -4.926 1.00 0.00 A ATOM 359 N VAL X 376 -4.996 -1.628 -6.263 1.00 0.00 A ATOM 360 HN VAL X 376 -5.055 -1.268 -7.200 1.00 0.00 A ATOM 361 CA VAL X 376 -5.488 -0.796 -5.166 1.00 0.00 A ATOM 362 HA VAL X 376 -4.554 -0.526 -4.704 1.00 0.00 A ATOM 363 CB VAL X 376 -6.296 0.384 -5.663 1.00 0.00 A ATOM 364 HB VAL X 376 -6.865 -0.012 -6.553 1.00 0.00 A ATOM 365 CG1 VAL X 376 -7.389 0.858 -4.624 1.00 0.00 A ATOM 366 HG11 VAL X 376 -7.972 1.706 -4.918 1.00 0.00 A ATOM 367 HG12 VAL X 376 -8.042 0.086 -4.337 1.00 0.00 A ATOM 368 HG13 VAL X 376 -6.882 1.301 -3.694 1.00 0.00 A ATOM 369 CG2 VAL X 376 -5.446 1.606 -6.158 1.00 0.00 A ATOM 370 HG21 VAL X 376 -4.415 1.295 -6.516 1.00 0.00 A ATOM 371 HG22 VAL X 376 -5.965 2.033 -7.037 1.00 0.00 A ATOM 372 HG23 VAL X 376 -5.327 2.357 -5.386 1.00 0.00 A ATOM 373 C VAL X 376 -6.234 -1.592 -4.013 1.00 0.00 A ATOM 374 O VAL X 376 -5.917 -1.483 -2.832 1.00 0.00 A ATOM 375 N ALA X 377 -7.110 -2.533 -4.399 1.00 0.00 A ATOM 376 HN ALA X 377 -7.333 -2.642 -5.357 1.00 0.00 A ATOM 377 CA ALA X 377 -7.783 -3.493 -3.582 1.00 0.00 A ATOM 378 HA ALA X 377 -8.204 -2.955 -2.773 1.00 0.00 A ATOM 379 CB ALA X 377 -8.952 -4.153 -4.352 1.00 0.00 A ATOM 380 HB1 ALA X 377 -8.623 -4.966 -5.022 1.00 0.00 A ATOM 381 HB2 ALA X 377 -9.658 -4.674 -3.622 1.00 0.00 A ATOM 382 HB3 ALA X 377 -9.434 -3.409 -5.025 1.00 0.00 A ATOM 383 C ALA X 377 -6.937 -4.556 -2.911 1.00 0.00 A ATOM 384 O ALA X 377 -7.078 -4.948 -1.752 1.00 0.00 A ATOM 385 N ARG X 378 -5.897 -5.050 -3.651 1.00 0.00 A ATOM 386 HN ARG X 378 -5.866 -4.741 -4.656 1.00 0.00 A ATOM 387 CA ARG X 378 -4.805 -5.910 -3.060 1.00 0.00 A ATOM 388 HA ARG X 378 -5.343 -6.683 -2.625 1.00 0.00 A ATOM 389 CB ARG X 378 -3.834 -6.459 -4.229 1.00 0.00 A ATOM 390 HB1 ARG X 378 -4.525 -6.705 -5.100 1.00 0.00 A ATOM 391 HB2 ARG X 378 -3.289 -5.576 -4.551 1.00 0.00 A ATOM 392 CG ARG X 378 -2.882 -7.539 -3.812 1.00 0.00 A ATOM 393 HG1 ARG X 378 -2.302 -7.147 -2.908 1.00 0.00 A ATOM 394 HG2 ARG X 378 -3.374 -8.436 -3.416 1.00 0.00 A ATOM 395 CD ARG X 378 -1.765 -7.901 -4.763 1.00 0.00 A ATOM 396 HD1 ARG X 378 -2.273 -8.270 -5.719 1.00 0.00 A ATOM 397 HD2 ARG X 378 -1.204 -7.002 -4.992 1.00 0.00 A ATOM 398 NE ARG X 378 -0.981 -9.011 -4.061 1.00 0.00 A ATOM 399 HE ARG X 378 -1.293 -9.510 -3.227 1.00 0.00 A ATOM 400 CZ ARG X 378 0.337 -9.202 -4.259 1.00 0.00 A ATOM 401 NH1 ARG X 378 1.009 -8.418 -5.100 1.00 0.00 A ATOM 402 HH11 ARG X 378 1.984 -8.520 -4.960 1.00 0.00 A ATOM 403 HH12 ARG X 378 0.713 -7.574 -5.458 1.00 0.00 A ATOM 404 NH2 ARG X 378 1.029 -10.146 -3.566 1.00 0.00 A ATOM 405 HH21 ARG X 378 1.828 -10.530 -4.067 1.00 0.00 A ATOM 406 HH22 ARG X 378 0.479 -10.578 -2.872 1.00 0.00 A ATOM 407 C ARG X 378 -3.923 -5.238 -2.033 1.00 0.00 A ATOM 408 O ARG X 378 -3.647 -5.779 -0.924 1.00 0.00 A ATOM 409 N LEU X 379 -3.550 -4.013 -2.371 1.00 0.00 A ATOM 410 HN LEU X 379 -3.673 -3.722 -3.357 1.00 0.00 A ATOM 411 CA LEU X 379 -2.735 -3.095 -1.513 1.00 0.00 A ATOM 412 HA LEU X 379 -1.855 -3.576 -1.306 1.00 0.00 A ATOM 413 CB LEU X 379 -2.256 -1.820 -2.345 1.00 0.00 A ATOM 414 HB1 LEU X 379 -3.110 -1.331 -2.829 1.00 0.00 A ATOM 415 HB2 LEU X 379 -1.745 -1.062 -1.668 1.00 0.00 A ATOM 416 CG LEU X 379 -1.221 -2.126 -3.549 1.00 0.00 A ATOM 417 HG LEU X 379 -1.659 -2.947 -4.170 1.00 0.00 A ATOM 418 CD1 LEU X 379 -1.155 -0.839 -4.312 1.00 0.00 A ATOM 419 HD11 LEU X 379 -0.400 -0.939 -5.100 1.00 0.00 A ATOM 420 HD12 LEU X 379 -2.030 -0.665 -4.950 1.00 0.00 A ATOM 421 HD13 LEU X 379 -0.858 0.035 -3.718 1.00 0.00 A ATOM 422 CD2 LEU X 379 0.171 -2.429 -2.876 1.00 0.00 A ATOM 423 HD21 LEU X 379 0.300 -3.371 -2.346 1.00 0.00 A ATOM 424 HD22 LEU X 379 0.965 -2.242 -3.613 1.00 0.00 A ATOM 425 HD23 LEU X 379 0.294 -1.542 -2.144 1.00 0.00 A ATOM 426 C LEU X 379 -3.345 -2.807 -0.129 1.00 0.00 A ATOM 427 O LEU X 379 -2.650 -3.009 0.884 1.00 0.00 A ATOM 428 N LYS X 380 -4.638 -2.566 -0.001 1.00 0.00 A ATOM 429 HN LYS X 380 -5.141 -2.499 -0.872 1.00 0.00 A ATOM 430 CA LYS X 380 -5.420 -2.449 1.308 1.00 0.00 A ATOM 431 HA LYS X 380 -5.146 -1.600 1.856 1.00 0.00 A ATOM 432 CB LYS X 380 -6.927 -2.340 0.969 1.00 0.00 A ATOM 433 HB1 LYS X 380 -7.278 -3.155 0.290 1.00 0.00 A ATOM 434 HB2 LYS X 380 -7.534 -2.608 1.884 1.00 0.00 A ATOM 435 CG LYS X 380 -7.291 -0.958 0.403 1.00 0.00 A ATOM 436 HG1 LYS X 380 -7.165 -0.137 1.191 1.00 0.00 A ATOM 437 HG2 LYS X 380 -6.666 -0.677 -0.495 1.00 0.00 A ATOM 438 CD LYS X 380 -8.769 -0.888 -0.023 1.00 0.00 A ATOM 439 HD1 LYS X 380 -8.837 -1.579 -0.951 1.00 0.00 A ATOM 440 HD2 LYS X 380 -9.399 -1.360 0.766 1.00 0.00 A ATOM 441 CE LYS X 380 -9.166 0.521 -0.320 1.00 0.00 A ATOM 442 HE1 LYS X 380 -9.083 1.222 0.515 1.00 0.00 A ATOM 443 HE2 LYS X 380 -8.523 1.084 -1.052 1.00 0.00 A ATOM 444 NZ LYS X 380 -10.574 0.642 -0.785 1.00 0.00 A ATOM 445 HZ1 LYS X 380 -11.256 0.325 -0.109 1.00 0.00 A ATOM 446 HZ2 LYS X 380 -10.727 1.643 -1.031 1.00 0.00 A ATOM 447 HZ3 LYS X 380 -10.759 0.085 -1.595 1.00 0.00 A ATOM 448 C LYS X 380 -5.228 -3.724 2.133 1.00 0.00 A ATOM 449 O LYS X 380 -4.962 -3.631 3.337 1.00 0.00 A ATOM 450 N LYS X 381 -5.254 -4.960 1.559 1.00 0.00 A ATOM 451 HN LYS X 381 -5.400 -5.052 0.570 1.00 0.00 A ATOM 452 CA LYS X 381 -4.865 -6.204 2.256 1.00 0.00 A ATOM 453 HA LYS X 381 -5.394 -6.135 3.152 1.00 0.00 A ATOM 454 CB LYS X 381 -5.392 -7.481 1.529 1.00 0.00 A ATOM 455 HB1 LYS X 381 -6.428 -7.225 1.131 1.00 0.00 A ATOM 456 HB2 LYS X 381 -4.754 -7.636 0.666 1.00 0.00 A ATOM 457 CG LYS X 381 -5.477 -8.737 2.468 1.00 0.00 A ATOM 458 HG1 LYS X 381 -6.091 -9.469 1.995 1.00 0.00 A ATOM 459 HG2 LYS X 381 -4.428 -9.191 2.470 1.00 0.00 A ATOM 460 CD LYS X 381 -5.952 -8.492 3.935 1.00 0.00 A ATOM 461 HD1 LYS X 381 -5.139 -7.828 4.431 1.00 0.00 A ATOM 462 HD2 LYS X 381 -6.917 -7.932 3.989 1.00 0.00 A ATOM 463 CE LYS X 381 -6.074 -9.757 4.876 1.00 0.00 A ATOM 464 HE1 LYS X 381 -6.229 -9.395 5.983 1.00 0.00 A ATOM 465 HE2 LYS X 381 -6.808 -10.522 4.585 1.00 0.00 A ATOM 466 NZ LYS X 381 -4.791 -10.474 4.885 1.00 0.00 A ATOM 467 HZ1 LYS X 381 -4.033 -10.007 5.505 1.00 0.00 A ATOM 468 HZ2 LYS X 381 -4.911 -11.477 5.270 1.00 0.00 A ATOM 469 HZ3 LYS X 381 -4.493 -10.589 3.870 1.00 0.00 A ATOM 470 C LYS X 381 -3.447 -6.186 2.588 1.00 0.00 A ATOM 471 O LYS X 381 -3.054 -6.154 3.764 1.00 0.00 A ATOM 472 N LEU X 382 -2.533 -6.142 1.626 1.00 0.00 A ATOM 473 HN LEU X 382 -2.850 -6.118 0.681 1.00 0.00 A ATOM 474 CA LEU X 382 -1.055 -6.405 1.772 1.00 0.00 A ATOM 475 HA LEU X 382 -0.911 -7.395 2.193 1.00 0.00 A ATOM 476 CB LEU X 382 -0.495 -6.296 0.386 1.00 0.00 A ATOM 477 HB1 LEU X 382 -1.333 -6.906 -0.186 1.00 0.00 A ATOM 478 HB2 LEU X 382 -0.700 -5.270 0.006 1.00 0.00 A ATOM 479 CG LEU X 382 0.859 -6.920 0.193 1.00 0.00 A ATOM 480 HG LEU X 382 0.958 -7.817 0.699 1.00 0.00 A ATOM 481 CD1 LEU X 382 0.975 -7.104 -1.339 1.00 0.00 A ATOM 482 HD11 LEU X 382 2.008 -7.400 -1.632 1.00 0.00 A ATOM 483 HD12 LEU X 382 0.264 -7.953 -1.631 1.00 0.00 A ATOM 484 HD13 LEU X 382 0.685 -6.234 -1.926 1.00 0.00 A ATOM 485 CD2 LEU X 382 2.079 -6.105 0.636 1.00 0.00 A ATOM 486 HD21 LEU X 382 2.091 -5.104 0.203 1.00 0.00 A ATOM 487 HD22 LEU X 382 2.191 -6.081 1.718 1.00 0.00 A ATOM 488 HD23 LEU X 382 2.958 -6.485 0.283 1.00 0.00 A ATOM 489 C LEU X 382 -0.372 -5.500 2.702 1.00 0.00 A ATOM 490 O LEU X 382 0.353 -5.967 3.576 1.00 0.00 A ATOM 491 N VAL X 383 -0.653 -4.173 2.605 1.00 0.00 A ATOM 492 HN VAL X 383 -1.255 -3.871 1.801 1.00 0.00 A ATOM 493 CA VAL X 383 0.018 -3.251 3.411 1.00 0.00 A ATOM 494 HA VAL X 383 1.061 -3.454 3.574 1.00 0.00 A ATOM 495 CB VAL X 383 -0.192 -1.884 2.906 1.00 0.00 A ATOM 496 HB VAL X 383 -1.322 -1.589 2.814 1.00 0.00 A ATOM 497 CG1 VAL X 383 0.616 -0.839 3.790 1.00 0.00 A ATOM 498 HG11 VAL X 383 0.570 0.218 3.366 1.00 0.00 A ATOM 499 HG12 VAL X 383 0.039 -0.716 4.796 1.00 0.00 A ATOM 500 HG13 VAL X 383 1.726 -1.116 3.941 1.00 0.00 A ATOM 501 CG2 VAL X 383 0.504 -1.755 1.494 1.00 0.00 A ATOM 502 HG21 VAL X 383 0.197 -2.594 0.771 1.00 0.00 A ATOM 503 HG22 VAL X 383 0.382 -0.833 0.942 1.00 0.00 A ATOM 504 HG23 VAL X 383 1.604 -1.856 1.595 1.00 0.00 A ATOM 505 C VAL X 383 -0.621 -3.329 4.859 1.00 0.00 A ATOM 506 O VAL X 383 0.039 -3.511 5.846 1.00 0.00 A ATOM 507 N GLY X 384 -2.020 -3.479 4.945 1.00 0.00 A ATOM 508 HN GLY X 384 -2.523 -3.523 4.060 1.00 0.00 A ATOM 509 CA GLY X 384 -2.785 -3.676 6.158 1.00 0.00 A ATOM 510 HA1 GLY X 384 -3.786 -3.864 5.841 1.00 0.00 A ATOM 511 HA2 GLY X 384 -2.654 -2.788 6.793 1.00 0.00 A ATOM 512 C GLY X 384 -2.300 -4.757 7.035 1.00 0.00 A ATOM 513 O GLY X 384 -2.196 -4.506 8.217 1.00 0.00 A ATOM 514 N ASP X 385 -1.911 -5.921 6.495 1.00 0.00 A ATOM 515 HN ASP X 385 -2.108 -6.146 5.513 1.00 0.00 A ATOM 516 CA ASP X 385 -1.153 -6.965 7.208 1.00 0.00 A ATOM 517 HA ASP X 385 -1.724 -7.183 8.085 1.00 0.00 A ATOM 518 CB ASP X 385 -0.923 -8.209 6.331 1.00 0.00 A ATOM 519 HB1 ASP X 385 -0.250 -8.015 5.470 1.00 0.00 A ATOM 520 HB2 ASP X 385 -0.466 -8.900 7.031 1.00 0.00 A ATOM 521 CG ASP X 385 -2.160 -8.802 5.806 1.00 0.00 A ATOM 522 OD1 ASP X 385 -2.362 -9.088 4.604 1.00 0.00 A ATOM 523 OD2 ASP X 385 -3.151 -8.973 6.612 1.00 0.00 A ATOM 524 C ASP X 385 0.127 -6.511 7.901 1.00 0.00 A ATOM 525 O ASP X 385 0.299 -6.771 9.070 1.00 0.00 A ATOM 526 N LEU X 386 1.045 -6.012 7.121 1.00 0.00 A ATOM 527 HN LEU X 386 0.689 -5.760 6.178 1.00 0.00 A ATOM 528 CA LEU X 386 2.376 -5.475 7.480 1.00 0.00 A ATOM 529 HA LEU X 386 2.774 -6.308 8.056 1.00 0.00 A ATOM 530 CB LEU X 386 3.207 -5.220 6.215 1.00 0.00 A ATOM 531 HB1 LEU X 386 2.628 -4.467 5.648 1.00 0.00 A ATOM 532 HB2 LEU X 386 4.227 -4.911 6.537 1.00 0.00 A ATOM 533 CG LEU X 386 3.505 -6.475 5.342 1.00 0.00 A ATOM 534 HG LEU X 386 2.503 -6.970 5.150 1.00 0.00 A ATOM 535 CD1 LEU X 386 3.982 -6.157 3.942 1.00 0.00 A ATOM 536 HD11 LEU X 386 5.007 -5.860 3.946 1.00 0.00 A ATOM 537 HD12 LEU X 386 3.732 -7.069 3.268 1.00 0.00 A ATOM 538 HD13 LEU X 386 3.512 -5.100 3.641 1.00 0.00 A ATOM 539 CD2 LEU X 386 4.508 -7.308 6.082 1.00 0.00 A ATOM 540 HD21 LEU X 386 4.396 -8.402 5.843 1.00 0.00 A ATOM 541 HD22 LEU X 386 5.620 -7.110 5.914 1.00 0.00 A ATOM 542 HD23 LEU X 386 4.412 -7.362 7.186 1.00 0.00 A ATOM 543 C LEU X 386 2.313 -4.221 8.385 1.00 0.00 A ATOM 544 O LEU X 386 3.096 -4.063 9.305 1.00 0.00 A ATOM 545 N LEU X 387 1.312 -3.312 8.247 1.00 0.00 A ATOM 546 HN LEU X 387 0.816 -3.369 7.390 1.00 0.00 A ATOM 547 CA LEU X 387 0.937 -2.427 9.342 1.00 0.00 A ATOM 548 HA LEU X 387 1.843 -1.997 9.783 1.00 0.00 A ATOM 549 CB LEU X 387 -0.081 -1.243 8.979 1.00 0.00 A ATOM 550 HB1 LEU X 387 -1.014 -1.732 8.520 1.00 0.00 A ATOM 551 HB2 LEU X 387 -0.322 -0.656 9.896 1.00 0.00 A ATOM 552 CG LEU X 387 0.448 -0.407 7.842 1.00 0.00 A ATOM 553 HG LEU X 387 0.719 -1.005 6.916 1.00 0.00 A ATOM 554 CD1 LEU X 387 -0.728 0.479 7.425 1.00 0.00 A ATOM 555 HD11 LEU X 387 -1.516 -0.259 7.103 1.00 0.00 A ATOM 556 HD12 LEU X 387 -1.119 1.079 8.257 1.00 0.00 A ATOM 557 HD13 LEU X 387 -0.414 1.114 6.514 1.00 0.00 A ATOM 558 CD2 LEU X 387 1.590 0.492 8.227 1.00 0.00 A ATOM 559 HD21 LEU X 387 2.479 -0.076 8.687 1.00 0.00 A ATOM 560 HD22 LEU X 387 2.046 0.884 7.346 1.00 0.00 A ATOM 561 HD23 LEU X 387 1.272 1.344 8.881 1.00 0.00 A ATOM 562 C LEU X 387 0.331 -3.056 10.604 1.00 0.00 A ATOM 563 O LEU X 387 0.577 -2.622 11.709 1.00 0.00 A ATOM 564 N ASN X 388 -0.460 -4.126 10.497 1.00 0.00 A ATOM 565 HN ASN X 388 -0.793 -4.395 9.593 1.00 0.00 A ATOM 566 CA ASN X 388 -0.805 -4.942 11.643 1.00 0.00 A ATOM 567 HA ASN X 388 -1.196 -4.250 12.386 1.00 0.00 A ATOM 568 CB ASN X 388 -1.865 -6.029 11.269 1.00 0.00 A ATOM 569 HB1 ASN X 388 -1.663 -6.499 10.273 1.00 0.00 A ATOM 570 HB2 ASN X 388 -1.887 -6.756 12.099 1.00 0.00 A ATOM 571 CG ASN X 388 -3.340 -5.612 11.177 1.00 0.00 A ATOM 572 OD1 ASN X 388 -3.783 -4.653 11.823 1.00 0.00 A ATOM 573 ND2 ASN X 388 -4.131 -6.399 10.458 1.00 0.00 A ATOM 574 HD21 ASN X 388 -5.056 -6.162 10.381 1.00 0.00 A ATOM 575 HD22 ASN X 388 -3.673 -7.052 9.874 1.00 0.00 A ATOM 576 C ASN X 388 0.346 -5.567 12.381 1.00 0.00 A ATOM 577 O ASN X 388 0.355 -5.544 13.609 1.00 0.00 A ATOM 578 N VAL X 389 1.347 -6.096 11.603 1.00 0.00 A ATOM 579 HN VAL X 389 1.141 -6.451 10.648 1.00 0.00 A ATOM 580 CA VAL X 389 2.650 -6.569 12.140 1.00 0.00 A ATOM 581 HA VAL X 389 2.415 -7.425 12.803 1.00 0.00 A ATOM 582 CB VAL X 389 3.538 -7.227 11.082 1.00 0.00 A ATOM 583 HB VAL X 389 3.625 -6.570 10.203 1.00 0.00 A ATOM 584 CG1 VAL X 389 4.928 -7.582 11.618 1.00 0.00 A ATOM 585 HG11 VAL X 389 5.590 -8.010 10.878 1.00 0.00 A ATOM 586 HG12 VAL X 389 5.516 -6.745 12.008 1.00 0.00 A ATOM 587 HG13 VAL X 389 4.811 -8.276 12.453 1.00 0.00 A ATOM 588 CG2 VAL X 389 2.821 -8.488 10.504 1.00 0.00 A ATOM 589 HG21 VAL X 389 1.867 -8.310 9.918 1.00 0.00 A ATOM 590 HG22 VAL X 389 3.504 -8.988 9.847 1.00 0.00 A ATOM 591 HG23 VAL X 389 2.625 -9.157 11.353 1.00 0.00 A ATOM 592 C VAL X 389 3.409 -5.434 12.798 1.00 0.00 A ATOM 593 O VAL X 389 3.912 -5.501 13.903 1.00 0.00 A ATOM 594 N LYS X 390 3.493 -4.271 12.092 1.00 0.00 A ATOM 595 HN LYS X 390 3.234 -4.238 11.136 1.00 0.00 A ATOM 596 CA LYS X 390 4.128 -3.087 12.567 1.00 0.00 A ATOM 597 HA LYS X 390 5.166 -3.427 12.835 1.00 0.00 A ATOM 598 CB LYS X 390 4.153 -1.939 11.512 1.00 0.00 A ATOM 599 HB1 LYS X 390 4.602 -2.325 10.558 1.00 0.00 A ATOM 600 HB2 LYS X 390 3.046 -1.771 11.344 1.00 0.00 A ATOM 601 CG LYS X 390 4.767 -0.570 11.916 1.00 0.00 A ATOM 602 HG1 LYS X 390 3.995 0.105 12.409 1.00 0.00 A ATOM 603 HG2 LYS X 390 5.583 -0.875 12.606 1.00 0.00 A ATOM 604 CD LYS X 390 5.353 0.136 10.655 1.00 0.00 A ATOM 605 HD1 LYS X 390 5.926 -0.567 10.014 1.00 0.00 A ATOM 606 HD2 LYS X 390 4.455 0.458 10.034 1.00 0.00 A ATOM 607 CE LYS X 390 6.228 1.309 10.982 1.00 0.00 A ATOM 608 HE1 LYS X 390 5.575 2.263 11.194 1.00 0.00 A ATOM 609 HE2 LYS X 390 6.863 1.077 11.879 1.00 0.00 A ATOM 610 NZ LYS X 390 7.068 1.669 9.845 1.00 0.00 A ATOM 611 HZ1 LYS X 390 8.080 1.234 9.881 1.00 0.00 A ATOM 612 HZ2 LYS X 390 6.680 1.562 8.881 1.00 0.00 A ATOM 613 HZ3 LYS X 390 7.139 2.751 10.011 1.00 0.00 A ATOM 614 C LYS X 390 3.541 -2.559 13.897 1.00 0.00 A ATOM 615 O LYS X 390 4.220 -2.301 14.863 1.00 0.00 A ATOM 616 N MET X 391 2.186 -2.469 13.894 1.00 0.00 A ATOM 617 HN MET X 391 1.556 -2.786 13.094 1.00 0.00 A ATOM 618 CA MET X 391 1.439 -2.007 15.057 1.00 0.00 A ATOM 619 HA MET X 391 1.864 -1.057 15.350 1.00 0.00 A ATOM 620 CB MET X 391 -0.054 -1.796 14.688 1.00 0.00 A ATOM 621 HB1 MET X 391 0.018 -1.401 13.627 1.00 0.00 A ATOM 622 HB2 MET X 391 -0.682 -2.743 14.610 1.00 0.00 A ATOM 623 CG MET X 391 -0.995 -0.862 15.439 1.00 0.00 A ATOM 624 HG1 MET X 391 -1.105 -1.107 16.519 1.00 0.00 A ATOM 625 HG2 MET X 391 -0.484 0.093 15.493 1.00 0.00 A ATOM 626 SD MET X 391 -2.609 -0.656 14.625 1.00 0.00 A ATOM 627 CE MET X 391 -3.321 0.424 15.897 1.00 0.00 A ATOM 628 HE1 MET X 391 -3.434 -0.122 16.844 1.00 0.00 A ATOM 629 HE2 MET X 391 -2.567 1.228 16.075 1.00 0.00 A ATOM 630 HE3 MET X 391 -4.333 0.724 15.586 1.00 0.00 A ATOM 631 C MET X 391 1.559 -3.003 16.250 1.00 0.00 A ATOM 632 O MET X 391 1.490 -2.593 17.421 1.00 0.00 A ATOM 633 N ALA X 392 1.704 -4.266 15.978 1.00 0.00 A ATOM 634 HN ALA X 392 1.659 -4.566 15.026 1.00 0.00 A ATOM 635 CA ALA X 392 1.772 -5.248 16.936 1.00 0.00 A ATOM 636 HA ALA X 392 1.069 -5.044 17.774 1.00 0.00 A ATOM 637 CB ALA X 392 1.515 -6.682 16.405 1.00 0.00 A ATOM 638 HB1 ALA X 392 2.259 -6.926 15.613 1.00 0.00 A ATOM 639 HB2 ALA X 392 1.498 -7.449 17.241 1.00 0.00 A ATOM 640 HB3 ALA X 392 0.483 -6.775 15.985 1.00 0.00 A ATOM 641 C ALA X 392 3.067 -5.247 17.716 1.00 0.00 A ATOM 642 O ALA X 392 3.109 -5.431 18.955 1.00 0.00 A ATOM 643 N LEU X 393 4.211 -5.084 17.068 1.00 0.00 A ATOM 644 HN LEU X 393 4.106 -4.959 16.091 1.00 0.00 A ATOM 645 CA LEU X 393 5.512 -4.857 17.638 1.00 0.00 A ATOM 646 HA LEU X 393 5.776 -5.642 18.325 1.00 0.00 A ATOM 647 CB LEU X 393 6.574 -4.776 16.548 1.00 0.00 A ATOM 648 HB1 LEU X 393 6.135 -4.324 15.660 1.00 0.00 A ATOM 649 HB2 LEU X 393 7.489 -4.261 16.855 1.00 0.00 A ATOM 650 CG LEU X 393 7.025 -6.176 16.134 1.00 0.00 A ATOM 651 HG LEU X 393 6.078 -6.755 16.255 1.00 0.00 A ATOM 652 CD1 LEU X 393 7.619 -6.233 14.754 1.00 0.00 A ATOM 653 HD11 LEU X 393 7.871 -7.219 14.390 1.00 0.00 A ATOM 654 HD12 LEU X 393 6.793 -5.828 14.055 1.00 0.00 A ATOM 655 HD13 LEU X 393 8.574 -5.654 14.658 1.00 0.00 A ATOM 656 CD2 LEU X 393 8.072 -6.781 17.065 1.00 0.00 A ATOM 657 HD21 LEU X 393 8.345 -7.801 16.775 1.00 0.00 A ATOM 658 HD22 LEU X 393 8.986 -6.116 17.102 1.00 0.00 A ATOM 659 HD23 LEU X 393 7.630 -6.811 18.109 1.00 0.00 A ATOM 660 C LEU X 393 5.597 -3.575 18.433 1.00 0.00 A ATOM 661 O LEU X 393 6.047 -3.417 19.593 1.00 0.00 A ATOM 662 N ASP X 394 4.874 -2.589 17.895 1.00 0.00 A ATOM 663 HN ASP X 394 4.382 -2.752 16.993 1.00 0.00 A ATOM 664 CA ASP X 394 4.497 -1.394 18.591 1.00 0.00 A ATOM 665 HA ASP X 394 5.393 -0.844 18.870 1.00 0.00 A ATOM 666 CB ASP X 394 3.642 -0.442 17.782 1.00 0.00 A ATOM 667 HB1 ASP X 394 3.940 -0.448 16.748 1.00 0.00 A ATOM 668 HB2 ASP X 394 2.602 -0.680 17.907 1.00 0.00 A ATOM 669 CG ASP X 394 3.864 1.007 18.201 1.00 0.00 A ATOM 670 OD1 ASP X 394 4.904 1.550 17.865 1.00 0.00 A ATOM 671 OD2 ASP X 394 2.958 1.541 18.854 1.00 0.00 A ATOM 672 C ASP X 394 3.793 -1.528 20.017 1.00 0.00 A ATOM 673 O ASP X 394 4.180 -0.957 21.030 1.00 0.00 A ATOM 674 N ILE X 395 2.642 -2.286 20.033 1.00 0.00 A ATOM 675 HN ILE X 395 2.144 -2.399 19.122 1.00 0.00 A ATOM 676 CA ILE X 395 1.749 -2.544 21.181 1.00 0.00 A ATOM 677 HA ILE X 395 1.265 -1.558 21.497 1.00 0.00 A ATOM 678 CB ILE X 395 0.615 -3.465 20.857 1.00 0.00 A ATOM 679 HB ILE X 395 0.944 -4.323 20.191 1.00 0.00 A ATOM 680 CG2 ILE X 395 0.033 -4.112 22.090 1.00 0.00 A ATOM 681 HG21 ILE X 395 -0.210 -3.398 22.869 1.00 0.00 A ATOM 682 HG22 ILE X 395 -0.925 -4.593 21.848 1.00 0.00 A ATOM 683 HG23 ILE X 395 0.695 -4.932 22.488 1.00 0.00 A ATOM 684 CG1 ILE X 395 -0.442 -2.526 20.233 1.00 0.00 A ATOM 685 HG11 ILE X 395 -0.674 -1.762 21.041 1.00 0.00 A ATOM 686 HG12 ILE X 395 -0.088 -1.927 19.399 1.00 0.00 A ATOM 687 CD ILE X 395 -1.738 -3.131 19.730 1.00 0.00 A ATOM 688 HD1 ILE X 395 -1.434 -3.789 18.921 1.00 0.00 A ATOM 689 HD2 ILE X 395 -2.332 -3.679 20.536 1.00 0.00 A ATOM 690 HD3 ILE X 395 -2.414 -2.376 19.318 1.00 0.00 A ATOM 691 C ILE X 395 2.631 -3.097 22.330 1.00 0.00 A ATOM 692 O ILE X 395 2.407 -2.694 23.457 1.00 0.00 A ATOM 693 N GLU X 396 3.541 -4.013 22.107 1.00 0.00 A ATOM 694 HN GLU X 396 3.685 -4.341 21.182 1.00 0.00 A ATOM 695 CA GLU X 396 4.494 -4.567 23.022 1.00 0.00 A ATOM 696 HA GLU X 396 3.856 -5.086 23.756 1.00 0.00 A ATOM 697 CB GLU X 396 5.313 -5.728 22.353 1.00 0.00 A ATOM 698 HB1 GLU X 396 4.671 -6.590 22.105 1.00 0.00 A ATOM 699 HB2 GLU X 396 5.778 -5.327 21.430 1.00 0.00 A ATOM 700 CG GLU X 396 6.376 -6.387 23.291 1.00 0.00 A ATOM 701 HG1 GLU X 396 7.169 -5.672 23.498 1.00 0.00 A ATOM 702 HG2 GLU X 396 5.913 -6.632 24.240 1.00 0.00 A ATOM 703 CD GLU X 396 6.997 -7.589 22.616 1.00 0.00 A ATOM 704 OE1 GLU X 396 6.561 -8.737 22.811 1.00 0.00 A ATOM 705 OE2 GLU X 396 7.872 -7.392 21.715 1.00 0.00 A ATOM 706 C GLU X 396 5.347 -3.581 23.735 1.00 0.00 A ATOM 707 O GLU X 396 5.329 -3.454 24.910 1.00 0.00 A ATOM 708 N ILE X 397 6.165 -2.810 23.063 1.00 0.00 A ATOM 709 HN ILE X 397 6.207 -2.880 22.022 1.00 0.00 A ATOM 710 CA ILE X 397 6.895 -1.747 23.728 1.00 0.00 A ATOM 711 HA ILE X 397 7.402 -2.161 24.529 1.00 0.00 A ATOM 712 CB ILE X 397 8.007 -1.176 22.745 1.00 0.00 A ATOM 713 HB ILE X 397 7.525 -0.618 21.862 1.00 0.00 A ATOM 714 CG2 ILE X 397 8.843 -0.028 23.409 1.00 0.00 A ATOM 715 HG21 ILE X 397 9.379 -0.349 24.358 1.00 0.00 A ATOM 716 HG22 ILE X 397 9.584 0.366 22.681 1.00 0.00 A ATOM 717 HG23 ILE X 397 8.204 0.749 23.840 1.00 0.00 A ATOM 718 CG1 ILE X 397 8.891 -2.330 22.226 1.00 0.00 A ATOM 719 HG11 ILE X 397 9.354 -3.050 22.980 1.00 0.00 A ATOM 720 HG12 ILE X 397 8.262 -2.973 21.538 1.00 0.00 A ATOM 721 CD ILE X 397 10.071 -1.862 21.414 1.00 0.00 A ATOM 722 HD1 ILE X 397 10.658 -2.729 21.040 1.00 0.00 A ATOM 723 HD2 ILE X 397 9.673 -1.398 20.537 1.00 0.00 A ATOM 724 HD3 ILE X 397 10.804 -1.179 21.875 1.00 0.00 A ATOM 725 C ILE X 397 6.019 -0.601 24.230 1.00 0.00 A ATOM 726 O ILE X 397 6.306 0.135 25.130 1.00 0.00 A ATOM 727 N ALA X 398 4.847 -0.306 23.545 1.00 0.00 A ATOM 728 HN ALA X 398 4.793 -0.688 22.608 1.00 0.00 A ATOM 729 CA ALA X 398 3.806 0.687 23.988 1.00 0.00 A ATOM 730 HA ALA X 398 4.281 1.690 24.139 1.00 0.00 A ATOM 731 CB ALA X 398 2.716 0.809 22.980 1.00 0.00 A ATOM 732 HB1 ALA X 398 3.173 1.150 22.037 1.00 0.00 A ATOM 733 HB2 ALA X 398 2.210 -0.133 22.818 1.00 0.00 A ATOM 734 HB3 ALA X 398 1.962 1.586 23.262 1.00 0.00 A ATOM 735 C ALA X 398 3.168 0.435 25.316 1.00 0.00 A ATOM 736 O ALA X 398 3.168 1.239 26.244 1.00 0.00 A ATOM 737 N THR X 399 2.647 -0.769 25.481 1.00 0.00 A ATOM 738 HN THR X 399 2.638 -1.346 24.720 1.00 0.00 A ATOM 739 CA THR X 399 2.152 -1.289 26.695 1.00 0.00 A ATOM 740 HA THR X 399 1.283 -0.685 26.969 1.00 0.00 A ATOM 741 CB THR X 399 1.709 -2.747 26.539 1.00 0.00 A ATOM 742 HB THR X 399 2.609 -3.326 26.326 1.00 0.00 A ATOM 743 OG1 THR X 399 0.694 -3.004 25.549 1.00 0.00 A ATOM 744 HG1 THR X 399 1.201 -2.878 24.770 1.00 0.00 A ATOM 745 CG2 THR X 399 1.223 -3.284 27.933 1.00 0.00 A ATOM 746 HG21 THR X 399 2.080 -3.521 28.591 1.00 0.00 A ATOM 747 HG22 THR X 399 0.529 -2.562 28.422 1.00 0.00 A ATOM 748 HG23 THR X 399 0.771 -4.310 27.772 1.00 0.00 A ATOM 749 C THR X 399 3.119 -1.145 27.871 1.00 0.00 A ATOM 750 O THR X 399 2.877 -0.555 28.931 1.00 0.00 A ATOM 751 N TYR X 400 4.306 -1.646 27.745 1.00 0.00 A ATOM 752 HN TYR X 400 4.379 -2.059 26.891 1.00 0.00 A ATOM 753 CA TYR X 400 5.442 -1.515 28.686 1.00 0.00 A ATOM 754 HA TYR X 400 5.179 -1.952 29.593 1.00 0.00 A ATOM 755 CB TYR X 400 6.837 -2.107 28.253 1.00 0.00 A ATOM 756 HB1 TYR X 400 7.199 -1.668 27.263 1.00 0.00 A ATOM 757 HB2 TYR X 400 7.487 -1.908 29.136 1.00 0.00 A ATOM 758 CG TYR X 400 6.777 -3.617 28.289 1.00 0.00 A ATOM 759 CD1 TYR X 400 6.204 -4.361 29.360 1.00 0.00 A ATOM 760 HD1 TYR X 400 5.801 -3.825 30.267 1.00 0.00 A ATOM 761 CE1 TYR X 400 6.080 -5.726 29.315 1.00 0.00 A ATOM 762 HE1 TYR X 400 5.680 -6.175 30.174 1.00 0.00 A ATOM 763 CZ TYR X 400 6.524 -6.461 28.212 1.00 0.00 A ATOM 764 OH TYR X 400 6.432 -7.878 28.166 1.00 0.00 A ATOM 765 HH TYR X 400 7.024 -8.192 27.466 1.00 0.00 A ATOM 766 CD2 TYR X 400 7.249 -4.334 27.205 1.00 0.00 A ATOM 767 HD2 TYR X 400 7.575 -3.770 26.392 1.00 0.00 A ATOM 768 CE2 TYR X 400 7.032 -5.783 27.097 1.00 0.00 A ATOM 769 HE2 TYR X 400 7.454 -6.406 26.279 1.00 0.00 A ATOM 770 C TYR X 400 5.721 -0.025 29.116 1.00 0.00 A ATOM 771 O TYR X 400 5.784 0.213 30.331 1.00 0.00 A ATOM 772 N ARG X 401 6.023 0.872 28.133 1.00 0.00 A ATOM 773 HN ARG X 401 6.025 0.498 27.179 1.00 0.00 A ATOM 774 CA ARG X 401 6.289 2.286 28.326 1.00 0.00 A ATOM 775 HA ARG X 401 7.334 2.331 28.703 1.00 0.00 A ATOM 776 CB ARG X 401 6.467 3.038 26.934 1.00 0.00 A ATOM 777 HB1 ARG X 401 5.612 2.658 26.202 1.00 0.00 A ATOM 778 HB2 ARG X 401 6.380 4.105 27.121 1.00 0.00 A ATOM 779 CG ARG X 401 7.890 2.930 26.286 1.00 0.00 A ATOM 780 HG1 ARG X 401 8.594 3.199 27.128 1.00 0.00 A ATOM 781 HG2 ARG X 401 8.058 1.805 26.074 1.00 0.00 A ATOM 782 CD ARG X 401 8.119 3.546 24.918 1.00 0.00 A ATOM 783 HD1 ARG X 401 7.639 2.859 24.121 1.00 0.00 A ATOM 784 HD2 ARG X 401 7.697 4.555 24.949 1.00 0.00 A ATOM 785 NE ARG X 401 9.609 3.689 24.976 1.00 0.00 A ATOM 786 HE ARG X 401 10.013 3.775 25.858 1.00 0.00 A ATOM 787 CZ ARG X 401 10.249 4.159 23.918 1.00 0.00 A ATOM 788 NH1 ARG X 401 9.684 4.278 22.703 1.00 0.00 A ATOM 789 HH11 ARG X 401 10.215 4.617 21.955 1.00 0.00 A ATOM 790 HH12 ARG X 401 8.854 3.834 22.409 1.00 0.00 A ATOM 791 NH2 ARG X 401 11.435 4.725 24.103 1.00 0.00 A ATOM 792 HH21 ARG X 401 11.836 5.124 23.314 1.00 0.00 A ATOM 793 HH22 ARG X 401 11.905 4.736 25.017 1.00 0.00 A ATOM 794 C ARG X 401 5.370 2.967 29.243 1.00 0.00 A ATOM 795 O ARG X 401 5.729 3.829 30.056 1.00 0.00 A ATOM 796 N LYS X 402 4.077 2.686 29.016 1.00 0.00 A ATOM 797 HN LYS X 402 3.744 2.027 28.349 1.00 0.00 A ATOM 798 CA LYS X 402 3.009 3.302 29.715 1.00 0.00 A ATOM 799 HA LYS X 402 3.145 4.431 29.695 1.00 0.00 A ATOM 800 CB LYS X 402 1.705 2.978 28.936 1.00 0.00 A ATOM 801 HB1 LYS X 402 1.807 3.346 27.864 1.00 0.00 A ATOM 802 HB2 LYS X 402 1.486 1.888 28.947 1.00 0.00 A ATOM 803 CG LYS X 402 0.433 3.576 29.600 1.00 0.00 A ATOM 804 HG1 LYS X 402 -0.404 3.137 29.024 1.00 0.00 A ATOM 805 HG2 LYS X 402 0.266 3.234 30.694 1.00 0.00 A ATOM 806 CD LYS X 402 0.428 5.124 29.679 1.00 0.00 A ATOM 807 HD1 LYS X 402 1.203 5.590 30.329 1.00 0.00 A ATOM 808 HD2 LYS X 402 0.687 5.465 28.611 1.00 0.00 A ATOM 809 CE LYS X 402 -0.974 5.781 30.096 1.00 0.00 A ATOM 810 HE1 LYS X 402 -1.717 5.603 29.318 1.00 0.00 A ATOM 811 HE2 LYS X 402 -1.345 5.393 31.040 1.00 0.00 A ATOM 812 NZ LYS X 402 -0.819 7.246 30.174 1.00 0.00 A ATOM 813 HZ1 LYS X 402 -0.714 7.731 29.218 1.00 0.00 A ATOM 814 HZ2 LYS X 402 -1.627 7.635 30.669 1.00 0.00 A ATOM 815 HZ3 LYS X 402 0.051 7.588 30.681 1.00 0.00 A ATOM 816 C LYS X 402 2.833 2.868 31.170 1.00 0.00 A ATOM 817 O LYS X 402 2.816 3.653 32.158 1.00 0.00 A ATOM 818 N LEU X 403 2.735 1.548 31.351 1.00 0.00 A ATOM 819 HN LEU X 403 2.639 0.977 30.540 1.00 0.00 A ATOM 820 CA LEU X 403 2.665 0.842 32.637 1.00 0.00 A ATOM 821 HA LEU X 403 1.880 1.376 33.123 1.00 0.00 A ATOM 822 CB LEU X 403 2.112 -0.525 32.503 1.00 0.00 A ATOM 823 HB1 LEU X 403 2.746 -0.933 31.732 1.00 0.00 A ATOM 824 HB2 LEU X 403 2.068 -1.133 33.351 1.00 0.00 A ATOM 825 CG LEU X 403 0.715 -0.571 31.881 1.00 0.00 A ATOM 826 HG LEU X 403 0.860 -0.027 30.898 1.00 0.00 A ATOM 827 CD1 LEU X 403 0.236 -2.038 31.521 1.00 0.00 A ATOM 828 HD11 LEU X 403 1.082 -2.680 31.254 1.00 0.00 A ATOM 829 HD12 LEU X 403 -0.045 -2.486 32.489 1.00 0.00 A ATOM 830 HD13 LEU X 403 -0.646 -1.941 30.872 1.00 0.00 A ATOM 831 CD2 LEU X 403 -0.325 0.164 32.734 1.00 0.00 A ATOM 832 HD21 LEU X 403 -0.434 1.158 32.387 1.00 0.00 A ATOM 833 HD22 LEU X 403 -1.284 -0.393 32.571 1.00 0.00 A ATOM 834 HD23 LEU X 403 -0.095 0.265 33.803 1.00 0.00 A ATOM 835 C LEU X 403 3.878 0.934 33.565 1.00 0.00 A ATOM 836 O LEU X 403 3.794 1.198 34.766 1.00 0.00 A ATOM 837 N LEU X 404 5.043 0.671 33.003 1.00 0.00 A ATOM 838 HN LEU X 404 5.102 0.459 32.071 1.00 0.00 A ATOM 839 CA LEU X 404 6.296 0.574 33.690 1.00 0.00 A ATOM 840 HA LEU X 404 6.204 0.289 34.785 1.00 0.00 A ATOM 841 CB LEU X 404 7.246 -0.401 32.863 1.00 0.00 A ATOM 842 HB1 LEU X 404 6.619 -1.319 32.764 1.00 0.00 A ATOM 843 HB2 LEU X 404 7.527 0.064 31.843 1.00 0.00 A ATOM 844 CG LEU X 404 8.511 -0.839 33.581 1.00 0.00 A ATOM 845 HG LEU X 404 8.795 -0.124 34.337 1.00 0.00 A ATOM 846 CD1 LEU X 404 8.280 -2.200 34.211 1.00 0.00 A ATOM 847 HD11 LEU X 404 9.167 -2.666 34.811 1.00 0.00 A ATOM 848 HD12 LEU X 404 7.448 -2.122 34.989 1.00 0.00 A ATOM 849 HD13 LEU X 404 7.927 -2.921 33.380 1.00 0.00 A ATOM 850 CD2 LEU X 404 9.618 -0.945 32.544 1.00 0.00 A ATOM 851 HD21 LEU X 404 10.519 -0.985 33.146 1.00 0.00 A ATOM 852 HD22 LEU X 404 9.628 -1.864 31.903 1.00 0.00 A ATOM 853 HD23 LEU X 404 9.573 -0.047 31.929 1.00 0.00 A ATOM 854 C LEU X 404 6.986 1.955 33.799 1.00 0.00 A ATOM 855 O LEU X 404 7.380 2.411 34.901 1.00 0.00 A ATOM 856 N GLU X 405 7.277 2.616 32.676 1.00 0.00 A ATOM 857 HN GLU X 405 7.071 2.307 31.749 1.00 0.00 A ATOM 858 CA GLU X 405 8.086 3.821 32.744 1.00 0.00 A ATOM 859 HA GLU X 405 8.821 3.652 33.457 1.00 0.00 A ATOM 860 CB GLU X 405 8.950 4.077 31.475 1.00 0.00 A ATOM 861 HB1 GLU X 405 8.277 4.507 30.669 1.00 0.00 A ATOM 862 HB2 GLU X 405 9.701 4.827 31.808 1.00 0.00 A ATOM 863 CG GLU X 405 9.576 2.679 31.091 1.00 0.00 A ATOM 864 HG1 GLU X 405 10.188 2.128 31.857 1.00 0.00 A ATOM 865 HG2 GLU X 405 8.846 2.006 30.705 1.00 0.00 A ATOM 866 CD GLU X 405 10.570 2.869 29.967 1.00 0.00 A ATOM 867 OE1 GLU X 405 11.062 3.963 29.628 1.00 0.00 A ATOM 868 OE2 GLU X 405 10.964 1.810 29.477 1.00 0.00 A ATOM 869 C GLU X 405 7.312 5.056 33.164 1.00 0.00 A ATOM 870 O GLU X 405 7.679 5.844 33.986 1.00 0.00 A ATOM 871 N GLY X 406 6.187 5.284 32.542 1.00 0.00 A ATOM 872 HN GLY X 406 5.998 4.661 31.788 1.00 0.00 A ATOM 873 CA GLY X 406 5.331 6.502 32.812 1.00 0.00 A ATOM 874 HA1 GLY X 406 5.754 7.096 33.570 1.00 0.00 A ATOM 875 HA2 GLY X 406 4.347 6.040 33.144 1.00 0.00 A ATOM 876 C GLY X 406 5.058 7.316 31.564 1.00 0.00 A ATOM 877 O GLY X 406 4.531 8.415 31.586 1.00 0.00 A ATOM 878 N GLU X 407 5.392 6.687 30.376 1.00 0.00 A ATOM 879 HN GLU X 407 5.743 5.747 30.253 1.00 0.00 A ATOM 880 CA GLU X 407 5.249 7.369 29.044 1.00 0.00 A ATOM 881 HA GLU X 407 5.453 8.481 29.097 1.00 0.00 A ATOM 882 CB GLU X 407 6.008 6.599 28.001 1.00 0.00 A ATOM 883 HB1 GLU X 407 5.635 5.565 28.060 1.00 0.00 A ATOM 884 HB2 GLU X 407 5.850 6.954 26.960 1.00 0.00 A ATOM 885 CG GLU X 407 7.592 6.802 28.209 1.00 0.00 A ATOM 886 HG1 GLU X 407 7.805 6.586 29.248 1.00 0.00 A ATOM 887 HG2 GLU X 407 8.148 6.127 27.491 1.00 0.00 A ATOM 888 CD GLU X 407 8.021 8.257 28.074 1.00 0.00 A ATOM 889 OE1 GLU X 407 9.143 8.506 28.538 1.00 0.00 A ATOM 890 OE2 GLU X 407 7.334 9.108 27.427 1.00 0.00 A ATOM 891 C GLU X 407 3.784 7.323 28.618 1.00 0.00 A ATOM 892 O GLU X 407 2.955 6.912 29.385 1.00 0.00 A ATOM 893 N GLU X 408 3.421 7.595 27.354 1.00 0.00 A ATOM 894 HN GLU X 408 3.998 8.106 26.734 1.00 0.00 A ATOM 895 CA GLU X 408 2.168 7.008 26.849 1.00 0.00 A ATOM 896 HA GLU X 408 1.479 6.697 27.544 1.00 0.00 A ATOM 897 CB GLU X 408 1.506 7.999 25.919 1.00 0.00 A ATOM 898 HB1 GLU X 408 2.275 8.357 25.192 1.00 0.00 A ATOM 899 HB2 GLU X 408 0.621 7.571 25.404 1.00 0.00 A ATOM 900 CG GLU X 408 0.918 9.270 26.549 1.00 0.00 A ATOM 901 HG1 GLU X 408 1.761 9.950 26.873 1.00 0.00 A ATOM 902 HG2 GLU X 408 0.214 9.889 25.980 1.00 0.00 A ATOM 903 CD GLU X 408 -0.040 8.977 27.700 1.00 0.00 A ATOM 904 OE1 GLU X 408 0.119 9.566 28.797 1.00 0.00 A ATOM 905 OE2 GLU X 408 -0.854 8.018 27.565 1.00 0.00 A ATOM 906 C GLU X 408 2.476 5.789 26.006 1.00 0.00 A ATOM 907 O GLU X 408 3.514 5.176 26.061 1.00 0.00 A ATOM 908 C SER X 409 2.176 4.904 22.909 1.00 0.00 A ATOM 909 OT1 SER X 409 1.847 5.954 22.325 1.00 0.00 A ATOM 910 OT2 SER X 409 2.923 4.127 22.222 1.00 0.00 A ATOM 911 N SER X 409 1.472 5.431 25.186 1.00 0.00 A ATOM 912 HN SER X 409 0.621 5.895 25.084 1.00 0.00 A ATOM 913 CA SER X 409 1.559 4.356 24.220 1.00 0.00 A ATOM 914 HA SER X 409 2.038 3.472 24.619 1.00 0.00 A ATOM 915 CB SER X 409 0.136 3.880 23.843 1.00 0.00 A ATOM 916 HB1 SER X 409 -0.428 4.669 23.356 1.00 0.00 A ATOM 917 HB2 SER X 409 0.383 3.098 23.071 1.00 0.00 A ATOM 918 OG SER X 409 -0.562 3.410 25.014 1.00 0.00 A ATOM 919 HG1 SER X 409 -0.631 4.245 25.554 1.00 0.00 A ATOM 920 OH2 TIP3 26 5.012 -10.213 -22.000 1.00 0.00 WT1 ATOM 921 H1 TIP3 26 5.067 -11.183 -21.739 1.00 0.00 WT1 ATOM 922 H2 TIP3 26 5.386 -9.773 -21.210 1.00 0.00 WT1 ATOM 923 OH2 TIP3 29 -17.390 -1.582 -21.985 1.00 0.00 WT1 ATOM 924 H1 TIP3 29 -16.609 -1.901 -21.456 1.00 0.00 WT1 ATOM 925 H2 TIP3 29 -17.136 -2.028 -22.816 1.00 0.00 WT1 ATOM 926 OH2 TIP3 30 -11.732 8.347 -21.609 1.00 0.00 WT1 ATOM 927 H1 TIP3 30 -11.329 8.843 -20.847 1.00 0.00 WT1 ATOM 928 H2 TIP3 30 -12.644 8.533 -21.480 1.00 0.00 WT1 ATOM 929 OH2 TIP3 47 7.268 8.400 -29.413 1.00 0.00 WT1 ATOM 930 H1 TIP3 47 8.173 8.592 -29.138 1.00 0.00 WT1 ATOM 931 H2 TIP3 47 7.375 8.200 -30.341 1.00 0.00 WT1 ATOM 932 OH2 TIP3 52 -12.982 0.896 -32.163 1.00 0.00 WT1 ATOM 933 H1 TIP3 52 -12.529 1.495 -32.785 1.00 0.00 WT1 ATOM 934 H2 TIP3 52 -13.450 1.582 -31.495 1.00 0.00 WT1 ATOM 935 OH2 TIP3 53 -9.075 -11.394 -24.076 1.00 0.00 WT1 ATOM 936 H1 TIP3 53 -8.737 -10.584 -23.769 1.00 0.00 WT1 ATOM 937 H2 TIP3 53 -8.968 -11.154 -25.032 1.00 0.00 WT1 ATOM 938 OH2 TIP3 56 -6.547 -9.239 -28.098 1.00 0.00 WT1 ATOM 939 H1 TIP3 56 -6.232 -10.161 -27.888 1.00 0.00 WT1 ATOM 940 H2 TIP3 56 -5.924 -8.642 -27.743 1.00 0.00 WT1 ATOM 941 OH2 TIP3 71 -12.656 -3.883 -6.737 1.00 0.00 WT1 ATOM 942 H1 TIP3 71 -12.332 -4.755 -6.540 1.00 0.00 WT1 ATOM 943 H2 TIP3 71 -12.641 -3.913 -7.727 1.00 0.00 WT1 ATOM 944 OH2 TIP3 75 -7.631 -9.969 -8.607 1.00 0.00 WT1 ATOM 945 H1 TIP3 75 -7.441 -10.404 -9.431 1.00 0.00 WT1 ATOM 946 H2 TIP3 75 -7.973 -9.151 -8.967 1.00 0.00 WT1 ATOM 947 OH2 TIP3 81 -6.890 7.993 4.018 1.00 0.00 WT1 ATOM 948 H1 TIP3 81 -7.710 7.417 3.988 1.00 0.00 WT1 ATOM 949 H2 TIP3 81 -6.806 8.285 4.954 1.00 0.00 WT1 ATOM 950 OH2 TIP3 86 -0.793 12.744 -15.869 1.00 0.00 WT1 ATOM 951 H1 TIP3 86 0.143 12.990 -15.807 1.00 0.00 WT1 ATOM 952 H2 TIP3 86 -1.144 13.600 -16.093 1.00 0.00 WT1 ATOM 953 OH2 TIP3 88 -14.245 -5.319 -32.153 1.00 0.00 WT1 ATOM 954 H1 TIP3 88 -14.405 -6.281 -32.247 1.00 0.00 WT1 ATOM 955 H2 TIP3 88 -14.800 -5.144 -31.375 1.00 0.00 WT1 ATOM 956 OH2 TIP3 98 -12.839 -10.674 -9.463 1.00 0.00 WT1 ATOM 957 H1 TIP3 98 -11.845 -10.683 -9.188 1.00 0.00 WT1 ATOM 958 H2 TIP3 98 -13.288 -10.585 -8.637 1.00 0.00 WT1 ATOM 959 OH2 TIP3 99 -8.581 -3.176 10.000 1.00 0.00 WT1 ATOM 960 H1 TIP3 99 -7.820 -3.246 10.566 1.00 0.00 WT1 ATOM 961 H2 TIP3 99 -9.085 -3.924 10.253 1.00 0.00 WT1 ATOM 962 OH2 TIP3 105 -9.415 9.783 6.258 1.00 0.00 WT1 ATOM 963 H1 TIP3 105 -10.170 9.950 6.891 1.00 0.00 WT1 ATOM 964 H2 TIP3 105 -8.640 9.779 6.841 1.00 0.00 WT1 ATOM 965 OH2 TIP3 108 -16.394 5.103 -23.128 1.00 0.00 WT1 ATOM 966 H1 TIP3 108 -16.976 4.317 -23.273 1.00 0.00 WT1 ATOM 967 H2 TIP3 108 -16.589 5.304 -22.148 1.00 0.00 WT1 ATOM 968 OH2 TIP3 112 -9.309 13.102 -14.662 1.00 0.00 WT1 ATOM 969 H1 TIP3 112 -8.699 13.809 -14.357 1.00 0.00 WT1 ATOM 970 H2 TIP3 112 -9.307 13.237 -15.666 1.00 0.00 WT1 ATOM 971 OH2 TIP3 113 -5.583 7.773 -36.133 1.00 0.00 WT1 ATOM 972 H1 TIP3 113 -5.824 7.307 -35.308 1.00 0.00 WT1 ATOM 973 H2 TIP3 113 -6.144 8.563 -35.980 1.00 0.00 WT1 ATOM 974 OH2 TIP3 122 -1.740 -6.941 17.082 1.00 0.00 WT1 ATOM 975 H1 TIP3 122 -1.265 -7.085 17.921 1.00 0.00 WT1 ATOM 976 H2 TIP3 122 -2.388 -6.274 17.363 1.00 0.00 WT1 ATOM 977 OH2 TIP3 124 -3.093 -9.267 9.578 1.00 0.00 WT1 ATOM 978 H1 TIP3 124 -3.076 -9.346 8.549 1.00 0.00 WT1 ATOM 979 H2 TIP3 124 -4.055 -9.439 9.738 1.00 0.00 WT1 ATOM 980 OH2 TIP3 126 8.333 -13.188 18.548 1.00 0.00 WT1 ATOM 981 H1 TIP3 126 7.634 -13.036 19.220 1.00 0.00 WT1 ATOM 982 H2 TIP3 126 8.403 -12.325 18.163 1.00 0.00 WT1 ATOM 983 OH2 TIP3 129 -16.687 -0.293 -34.767 1.00 0.00 WT1 ATOM 984 H1 TIP3 129 -17.517 -0.836 -34.676 1.00 0.00 WT1 ATOM 985 H2 TIP3 129 -16.086 -0.602 -35.494 1.00 0.00 WT1 ATOM 986 OH2 TIP3 134 -12.629 -11.634 12.892 1.00 0.00 WT1 ATOM 987 H1 TIP3 134 -13.073 -11.269 13.722 1.00 0.00 WT1 ATOM 988 H2 TIP3 134 -13.092 -12.448 12.730 1.00 0.00 WT1 ATOM 989 OH2 TIP3 137 -11.925 2.132 -2.979 1.00 0.00 WT1 ATOM 990 H1 TIP3 137 -12.619 2.676 -2.547 1.00 0.00 WT1 ATOM 991 H2 TIP3 137 -12.411 1.841 -3.774 1.00 0.00 WT1 ATOM 992 OH2 TIP3 141 -9.816 -5.612 11.290 1.00 0.00 WT1 ATOM 993 H1 TIP3 141 -8.995 -5.731 11.812 1.00 0.00 WT1 ATOM 994 H2 TIP3 141 -10.052 -6.544 11.143 1.00 0.00 WT1 ATOM 995 OH2 TIP3 145 -4.690 -9.002 -25.138 1.00 0.00 WT1 ATOM 996 H1 TIP3 145 -4.388 -8.661 -26.004 1.00 0.00 WT1 ATOM 997 H2 TIP3 145 -4.809 -8.101 -24.706 1.00 0.00 WT1 ATOM 998 OH2 TIP3 146 -0.148 10.840 -20.292 1.00 0.00 WT1 ATOM 999 H1 TIP3 146 -0.605 10.046 -20.040 1.00 0.00 WT1 ATOM 1000 H2 TIP3 146 -0.340 11.431 -19.547 1.00 0.00 WT1 ATOM 1001 OH2 TIP3 147 -16.448 -1.398 15.899 1.00 0.00 WT1 ATOM 1002 H1 TIP3 147 -16.117 -2.191 16.429 1.00 0.00 WT1 ATOM 1003 H2 TIP3 147 -16.388 -0.613 16.550 1.00 0.00 WT1 ATOM 1004 OH2 TIP3 153 -5.904 -10.899 -17.273 1.00 0.00 WT1 ATOM 1005 H1 TIP3 153 -5.593 -11.772 -17.524 1.00 0.00 WT1 ATOM 1006 H2 TIP3 153 -6.717 -10.682 -17.764 1.00 0.00 WT1 ATOM 1007 OH2 TIP3 155 -20.442 6.231 -18.472 1.00 0.00 WT1 ATOM 1008 H1 TIP3 155 -20.152 6.304 -19.427 1.00 0.00 WT1 ATOM 1009 H2 TIP3 155 -20.394 7.195 -18.147 1.00 0.00 WT1 ATOM 1010 OH2 TIP3 156 -5.051 8.911 -12.884 1.00 0.00 WT1 ATOM 1011 H1 TIP3 156 -5.075 8.985 -11.905 1.00 0.00 WT1 ATOM 1012 H2 TIP3 156 -5.654 8.165 -12.993 1.00 0.00 WT1 ATOM 1013 OH2 TIP3 169 -9.034 -4.925 15.366 1.00 0.00 WT1 ATOM 1014 H1 TIP3 169 -9.454 -5.366 16.117 1.00 0.00 WT1 ATOM 1015 H2 TIP3 169 -8.107 -5.265 15.249 1.00 0.00 WT1 ATOM 1016 OH2 TIP3 177 -8.464 4.691 0.056 1.00 0.00 WT1 ATOM 1017 H1 TIP3 177 -8.011 4.084 0.717 1.00 0.00 WT1 ATOM 1018 H2 TIP3 177 -8.098 5.607 0.337 1.00 0.00 WT1 ATOM 1019 OH2 TIP3 180 -10.975 3.353 0.068 1.00 0.00 WT1 ATOM 1020 H1 TIP3 180 -11.226 3.354 0.999 1.00 0.00 WT1 ATOM 1021 H2 TIP3 180 -10.147 3.926 -0.057 1.00 0.00 WT1 ATOM 1022 OH2 TIP3 200 -5.446 -10.167 10.112 1.00 0.00 WT1 ATOM 1023 H1 TIP3 200 -6.298 -9.981 9.713 1.00 0.00 WT1 ATOM 1024 H2 TIP3 200 -5.471 -11.113 10.162 1.00 0.00 WT1 ATOM 1025 OH2 TIP3 202 -11.565 5.451 -12.106 1.00 0.00 WT1 ATOM 1026 H1 TIP3 202 -11.582 4.455 -12.230 1.00 0.00 WT1 ATOM 1027 H2 TIP3 202 -11.405 5.471 -11.111 1.00 0.00 WT1 ATOM 1028 OH2 TIP3 210 -5.146 4.950 1.861 1.00 0.00 WT1 ATOM 1029 H1 TIP3 210 -4.870 4.767 0.923 1.00 0.00 WT1 ATOM 1030 H2 TIP3 210 -5.962 4.368 1.969 1.00 0.00 WT1 ATOM 1031 OH2 TIP3 212 -8.334 10.636 -14.302 1.00 0.00 WT1 ATOM 1032 H1 TIP3 212 -7.581 10.712 -13.665 1.00 0.00 WT1 ATOM 1033 H2 TIP3 212 -8.680 11.482 -14.481 1.00 0.00 WT1 ATOM 1034 OH2 TIP3 218 -0.031 11.917 -11.082 1.00 0.00 WT1 ATOM 1035 H1 TIP3 218 -0.974 11.713 -10.743 1.00 0.00 WT1 ATOM 1036 H2 TIP3 218 -0.226 11.703 -12.029 1.00 0.00 WT1 ATOM 1037 OH2 TIP3 225 -15.396 -5.989 2.532 1.00 0.00 WT1 ATOM 1038 H1 TIP3 225 -15.431 -5.021 2.573 1.00 0.00 WT1 ATOM 1039 H2 TIP3 225 -16.300 -6.192 2.759 1.00 0.00 WT1 ATOM 1040 OH2 TIP3 232 1.517 3.713 7.104 1.00 0.00 WT1 ATOM 1041 H1 TIP3 232 1.574 4.041 8.036 1.00 0.00 WT1 ATOM 1042 H2 TIP3 232 0.603 3.432 7.095 1.00 0.00 WT1 ATOM 1043 OH2 TIP3 253 -13.294 5.242 -35.491 1.00 0.00 WT1 ATOM 1044 H1 TIP3 253 -14.054 4.657 -35.439 1.00 0.00 WT1 ATOM 1045 H2 TIP3 253 -13.323 5.523 -34.577 1.00 0.00 WT1 ATOM 1046 OH2 TIP3 295 -10.423 9.494 -25.528 1.00 0.00 WT1 ATOM 1047 H1 TIP3 295 -10.130 9.943 -24.692 1.00 0.00 WT1 ATOM 1048 H2 TIP3 295 -11.333 9.336 -25.282 1.00 0.00 WT1 ATOM 1049 OH2 TIP3 379 -5.691 -8.515 15.744 1.00 0.00 WT1 ATOM 1050 H1 TIP3 379 -5.045 -8.316 15.098 1.00 0.00 WT1 ATOM 1051 H2 TIP3 379 -6.436 -8.798 15.218 1.00 0.00 WT1 ATOM 1052 OH2 TIP3 411 -12.388 -7.089 -29.126 1.00 0.00 WT1 ATOM 1053 H1 TIP3 411 -12.513 -6.116 -28.914 1.00 0.00 WT1 ATOM 1054 H2 TIP3 411 -12.031 -7.120 -29.966 1.00 0.00 WT1 ATOM 1055 OH2 TIP3 432 -15.936 4.446 -32.127 1.00 0.00 WT1 ATOM 1056 H1 TIP3 432 -16.188 4.542 -33.061 1.00 0.00 WT1 ATOM 1057 H2 TIP3 432 -15.605 3.540 -32.117 1.00 0.00 WT1 ATOM 1058 OH2 TIP3 437 -5.156 9.293 16.126 1.00 0.00 WT1 ATOM 1059 H1 TIP3 437 -4.303 8.875 16.250 1.00 0.00 WT1 ATOM 1060 H2 TIP3 437 -5.803 8.839 16.727 1.00 0.00 WT1 ATOM 1061 OH2 TIP3 457 -15.284 -5.348 -17.323 1.00 0.00 WT1 ATOM 1062 H1 TIP3 457 -15.098 -5.263 -16.401 1.00 0.00 WT1 ATOM 1063 H2 TIP3 457 -15.155 -4.454 -17.656 1.00 0.00 WT1 ATOM 1064 OH2 TIP3 463 -14.503 -5.263 12.403 1.00 0.00 WT1 ATOM 1065 H1 TIP3 463 -13.651 -4.929 12.114 1.00 0.00 WT1 ATOM 1066 H2 TIP3 463 -14.907 -4.479 12.774 1.00 0.00 WT1 ATOM 1067 OH2 TIP3 479 -12.542 -4.666 6.628 1.00 0.00 WT1 ATOM 1068 H1 TIP3 479 -11.612 -4.931 6.584 1.00 0.00 WT1 ATOM 1069 H2 TIP3 479 -12.655 -3.976 5.871 1.00 0.00 WT1 ATOM 1070 OH2 TIP3 493 -9.050 -14.967 -5.245 1.00 0.00 WT1 ATOM 1071 H1 TIP3 493 -9.647 -15.733 -5.280 1.00 0.00 WT1 ATOM 1072 H2 TIP3 493 -9.659 -14.234 -5.393 1.00 0.00 WT1 ATOM 1073 OH2 TIP3 494 -14.281 -6.691 -24.128 1.00 0.00 WT1 ATOM 1074 H1 TIP3 494 -13.555 -6.266 -24.625 1.00 0.00 WT1 ATOM 1075 H2 TIP3 494 -14.621 -7.238 -24.783 1.00 0.00 WT1 ATOM 1076 OH2 TIP3 495 -19.146 -3.345 -30.088 1.00 0.00 WT1 ATOM 1077 H1 TIP3 495 -18.838 -2.430 -30.177 1.00 0.00 WT1 ATOM 1078 H2 TIP3 495 -19.548 -3.144 -29.220 1.00 0.00 WT1 ATOM 1079 OH2 TIP3 498 4.515 -2.310 -20.260 1.00 0.00 WT1 ATOM 1080 H1 TIP3 498 5.124 -2.697 -20.920 1.00 0.00 WT1 ATOM 1081 H2 TIP3 498 4.135 -3.123 -19.813 1.00 0.00 WT1 ATOM 1082 OH2 TIP3 511 -15.007 -3.480 -4.966 1.00 0.00 WT1 ATOM 1083 H1 TIP3 511 -15.508 -3.125 -5.736 1.00 0.00 WT1 ATOM 1084 H2 TIP3 511 -14.081 -3.344 -5.322 1.00 0.00 WT1 ATOM 1085 OH2 TIP3 512 -11.983 -8.556 -34.565 1.00 0.00 WT1 ATOM 1086 H1 TIP3 512 -11.137 -8.806 -34.171 1.00 0.00 WT1 ATOM 1087 H2 TIP3 512 -12.344 -7.905 -33.937 1.00 0.00 WT1 ATOM 1088 OH2 TIP3 514 2.409 -13.672 -2.495 1.00 0.00 WT1 ATOM 1089 H1 TIP3 514 3.053 -13.931 -3.180 1.00 0.00 WT1 ATOM 1090 H2 TIP3 514 2.615 -12.753 -2.212 1.00 0.00 WT1 ATOM 1091 OH2 TIP3 517 8.597 1.577 -25.474 1.00 0.00 WT1 ATOM 1092 H1 TIP3 517 8.649 0.822 -24.841 1.00 0.00 WT1 ATOM 1093 H2 TIP3 517 8.986 2.267 -24.910 1.00 0.00 WT1 ATOM 1094 OH2 TIP3 518 -1.360 -10.808 -1.842 1.00 0.00 WT1 ATOM 1095 H1 TIP3 518 -0.998 -11.103 -0.957 1.00 0.00 WT1 ATOM 1096 H2 TIP3 518 -1.513 -11.629 -2.348 1.00 0.00 WT1 ATOM 1097 OH2 TIP3 522 -14.056 -5.445 8.612 1.00 0.00 WT1 ATOM 1098 H1 TIP3 522 -14.772 -4.776 8.790 1.00 0.00 WT1 ATOM 1099 H2 TIP3 522 -13.533 -5.011 7.872 1.00 0.00 WT1 ATOM 1100 OH2 TIP3 523 3.828 2.106 14.241 1.00 0.00 WT1 ATOM 1101 H1 TIP3 523 3.015 2.374 14.720 1.00 0.00 WT1 ATOM 1102 H2 TIP3 523 3.758 2.661 13.464 1.00 0.00 WT1 ATOM 1103 OH2 TIP3 527 0.809 0.894 20.297 1.00 0.00 WT1 ATOM 1104 H1 TIP3 527 0.311 0.597 19.525 1.00 0.00 WT1 ATOM 1105 H2 TIP3 527 1.768 0.855 19.988 1.00 0.00 WT1 ATOM 1106 OH2 TIP3 528 3.915 4.630 -26.081 1.00 0.00 WT1 ATOM 1107 H1 TIP3 528 3.805 3.792 -25.668 1.00 0.00 WT1 ATOM 1108 H2 TIP3 528 4.691 4.532 -26.579 1.00 0.00 WT1 ATOM 1109 OH2 TIP3 529 -10.302 10.864 -34.731 1.00 0.00 WT1 ATOM 1110 H1 TIP3 529 -9.446 10.810 -35.183 1.00 0.00 WT1 ATOM 1111 H2 TIP3 529 -10.056 11.305 -33.892 1.00 0.00 WT1 ATOM 1112 OH2 TIP3 533 -9.880 -5.567 -22.540 1.00 0.00 WT1 ATOM 1113 H1 TIP3 533 -9.627 -6.441 -22.273 1.00 0.00 WT1 ATOM 1114 H2 TIP3 533 -9.874 -5.149 -21.652 1.00 0.00 WT1 ATOM 1115 OH2 TIP3 534 -11.341 -0.223 -14.200 1.00 0.00 WT1 ATOM 1116 H1 TIP3 534 -11.721 -0.092 -13.364 1.00 0.00 WT1 ATOM 1117 H2 TIP3 534 -10.388 -0.228 -13.969 1.00 0.00 WT1 ATOM 1118 OH2 TIP3 539 -7.300 -5.739 7.857 1.00 0.00 WT1 ATOM 1119 H1 TIP3 539 -6.658 -6.469 7.750 1.00 0.00 WT1 ATOM 1120 H2 TIP3 539 -6.929 -5.130 7.197 1.00 0.00 WT1 ATOM 1121 OH2 TIP3 540 -15.328 -1.734 8.827 1.00 0.00 WT1 ATOM 1122 H1 TIP3 540 -16.194 -2.070 9.048 1.00 0.00 WT1 ATOM 1123 H2 TIP3 540 -15.025 -1.854 9.771 1.00 0.00 WT1 ATOM 1124 OH2 TIP3 544 -10.460 -6.750 3.864 1.00 0.00 WT1 ATOM 1125 H1 TIP3 544 -10.334 -7.285 3.081 1.00 0.00 WT1 ATOM 1126 H2 TIP3 544 -11.168 -7.181 4.393 1.00 0.00 WT1 ATOM 1127 OH2 TIP3 551 -15.370 7.985 -23.662 1.00 0.00 WT1 ATOM 1128 H1 TIP3 551 -15.640 7.116 -23.848 1.00 0.00 WT1 ATOM 1129 H2 TIP3 551 -15.123 7.849 -22.694 1.00 0.00 WT1 ATOM 1130 OH2 TIP3 553 -11.267 -7.021 8.191 1.00 0.00 WT1 ATOM 1131 H1 TIP3 553 -12.069 -6.523 8.363 1.00 0.00 WT1 ATOM 1132 H2 TIP3 553 -10.592 -6.378 8.036 1.00 0.00 WT1 ATOM 1133 OH2 TIP3 556 -9.640 1.910 -7.533 1.00 0.00 WT1 ATOM 1134 H1 TIP3 556 -9.576 1.132 -6.884 1.00 0.00 WT1 ATOM 1135 H2 TIP3 556 -10.653 1.838 -7.537 1.00 0.00 WT1 ATOM 1136 OH2 TIP3 571 2.157 -9.773 5.962 1.00 0.00 WT1 ATOM 1137 H1 TIP3 571 1.188 -9.983 5.981 1.00 0.00 WT1 ATOM 1138 H2 TIP3 571 2.474 -10.633 6.249 1.00 0.00 WT1 ATOM 1139 OH2 TIP3 573 -3.254 15.471 -12.094 1.00 0.00 WT1 ATOM 1140 H1 TIP3 573 -2.303 15.550 -12.253 1.00 0.00 WT1 ATOM 1141 H2 TIP3 573 -3.257 15.106 -11.189 1.00 0.00 WT1 ATOM 1142 OH2 TIP3 579 -19.890 -1.893 -27.978 1.00 0.00 WT1 ATOM 1143 H1 TIP3 579 -19.196 -1.516 -27.445 1.00 0.00 WT1 ATOM 1144 H2 TIP3 579 -20.284 -1.111 -28.358 1.00 0.00 WT1 ATOM 1145 OH2 TIP3 580 -5.996 -14.232 -22.689 1.00 0.00 WT1 ATOM 1146 H1 TIP3 580 -6.927 -14.260 -22.460 1.00 0.00 WT1 ATOM 1147 H2 TIP3 580 -5.938 -13.268 -22.825 1.00 0.00 WT1 ATOM 1148 OH2 TIP3 587 -5.015 11.054 14.027 1.00 0.00 WT1 ATOM 1149 H1 TIP3 587 -4.109 10.762 13.772 1.00 0.00 WT1 ATOM 1150 H2 TIP3 587 -5.221 10.313 14.679 1.00 0.00 WT1 ATOM 1151 OH2 TIP3 589 15.311 2.660 -1.145 1.00 0.00 WT1 ATOM 1152 H1 TIP3 589 14.945 2.204 -0.335 1.00 0.00 WT1 ATOM 1153 H2 TIP3 589 16.055 3.171 -0.838 1.00 0.00 WT1 ATOM 1154 OH2 TIP3 590 14.110 -0.228 -5.317 1.00 0.00 WT1 ATOM 1155 H1 TIP3 590 14.976 0.058 -5.328 1.00 0.00 WT1 ATOM 1156 H2 TIP3 590 13.999 -0.463 -4.378 1.00 0.00 WT1 ATOM 1157 OH2 TIP3 595 -16.871 -5.539 -30.456 1.00 0.00 WT1 ATOM 1158 H1 TIP3 595 -17.362 -4.888 -30.005 1.00 0.00 WT1 ATOM 1159 H2 TIP3 595 -17.308 -5.528 -31.240 1.00 0.00 WT1 ATOM 1160 OH2 TIP3 598 -15.111 3.507 -16.968 1.00 0.00 WT1 ATOM 1161 H1 TIP3 598 -15.283 3.698 -17.866 1.00 0.00 WT1 ATOM 1162 H2 TIP3 598 -14.740 2.567 -16.986 1.00 0.00 WT1 ATOM 1163 OH2 TIP3 599 -11.922 8.950 -18.414 1.00 0.00 WT1 ATOM 1164 H1 TIP3 599 -11.275 9.677 -18.698 1.00 0.00 WT1 ATOM 1165 H2 TIP3 599 -11.782 8.814 -17.444 1.00 0.00 WT1 ATOM 1166 OH2 TIP3 602 -1.842 12.786 -2.963 1.00 0.00 WT1 ATOM 1167 H1 TIP3 602 -2.775 12.463 -3.004 1.00 0.00 WT1 ATOM 1168 H2 TIP3 602 -1.613 12.769 -1.989 1.00 0.00 WT1 ATOM 1169 OH2 TIP3 603 -5.592 -0.038 13.374 1.00 0.00 WT1 ATOM 1170 H1 TIP3 603 -5.500 0.947 13.311 1.00 0.00 WT1 ATOM 1171 H2 TIP3 603 -4.675 -0.238 13.002 1.00 0.00 WT1 ATOM 1172 OH2 TIP3 604 5.529 15.561 8.407 1.00 0.00 WT1 ATOM 1173 H1 TIP3 604 5.741 15.419 7.490 1.00 0.00 WT1 ATOM 1174 H2 TIP3 604 6.164 15.065 8.890 1.00 0.00 WT1 ATOM 1175 OH2 TIP3 609 -14.793 -6.038 18.019 1.00 0.00 WT1 ATOM 1176 H1 TIP3 609 -13.871 -5.968 17.684 1.00 0.00 WT1 ATOM 1177 H2 TIP3 609 -15.245 -5.480 17.352 1.00 0.00 WT1 ATOM 1178 OH2 TIP3 612 -2.117 0.415 -40.499 1.00 0.00 WT1 ATOM 1179 H1 TIP3 612 -2.311 -0.614 -40.666 1.00 0.00 WT1 ATOM 1180 H2 TIP3 612 -2.707 0.527 -39.705 1.00 0.00 WT1 ATOM 1181 OH2 TIP3 613 1.593 -7.847 -34.901 1.00 0.00 WT1 ATOM 1182 H1 TIP3 613 2.254 -7.216 -35.386 1.00 0.00 WT1 ATOM 1183 H2 TIP3 613 2.149 -8.237 -34.202 1.00 0.00 WT1 ATOM 1184 OH2 TIP3 615 -1.669 13.873 -5.835 1.00 0.00 WT1 ATOM 1185 H1 TIP3 615 -1.627 13.725 -4.892 1.00 0.00 WT1 ATOM 1186 H2 TIP3 615 -2.501 13.383 -6.078 1.00 0.00 WT1 ATOM 1187 OH2 TIP3 618 -5.424 -11.622 -24.802 1.00 0.00 WT1 ATOM 1188 H1 TIP3 618 -5.067 -10.645 -24.785 1.00 0.00 WT1 ATOM 1189 H2 TIP3 618 -5.853 -11.612 -23.899 1.00 0.00 WT1 ATOM 1190 OH2 TIP3 626 -10.995 -4.351 -1.556 1.00 0.00 WT1 ATOM 1191 H1 TIP3 626 -11.465 -4.142 -2.365 1.00 0.00 WT1 ATOM 1192 H2 TIP3 626 -11.182 -3.606 -0.970 1.00 0.00 WT1 ATOM 1193 OH2 TIP3 632 -15.920 3.508 -35.108 1.00 0.00 WT1 ATOM 1194 H1 TIP3 632 -15.447 3.254 -35.918 1.00 0.00 WT1 ATOM 1195 H2 TIP3 632 -16.273 2.600 -34.781 1.00 0.00 WT1 ATOM 1196 OH2 TIP3 643 -0.082 14.722 -11.000 1.00 0.00 WT1 ATOM 1197 H1 TIP3 643 -0.399 14.842 -10.090 1.00 0.00 WT1 ATOM 1198 H2 TIP3 643 -0.063 13.765 -10.986 1.00 0.00 WT1 ATOM 1199 OH2 TIP3 651 -4.837 0.770 -1.845 1.00 0.00 WT1 ATOM 1200 H1 TIP3 651 -5.038 -0.143 -2.199 1.00 0.00 WT1 ATOM 1201 H2 TIP3 651 -4.448 1.153 -2.611 1.00 0.00 WT1 ATOM 1202 OH2 TIP3 662 -3.020 7.770 -37.376 1.00 0.00 WT1 ATOM 1203 H1 TIP3 662 -3.909 7.656 -36.902 1.00 0.00 WT1 ATOM 1204 H2 TIP3 662 -2.570 8.484 -36.881 1.00 0.00 WT1 ATOM 1205 OH2 TIP3 668 -1.324 4.271 0.168 1.00 0.00 WT1 ATOM 1206 H1 TIP3 668 -0.771 4.466 0.958 1.00 0.00 WT1 ATOM 1207 H2 TIP3 668 -1.271 3.263 0.263 1.00 0.00 WT1 ATOM 1208 OH2 TIP3 670 1.689 7.274 3.709 1.00 0.00 WT1 ATOM 1209 H1 TIP3 670 2.228 6.943 4.462 1.00 0.00 WT1 ATOM 1210 H2 TIP3 670 1.188 8.018 4.099 1.00 0.00 WT1 ATOM 1211 OH2 TIP3 679 -17.609 1.064 -21.203 1.00 0.00 WT1 ATOM 1212 H1 TIP3 679 -18.278 0.927 -20.515 1.00 0.00 WT1 ATOM 1213 H2 TIP3 679 -17.483 0.140 -21.604 1.00 0.00 WT1 ATOM 1214 OH2 TIP3 682 -11.321 2.150 -34.122 1.00 0.00 WT1 ATOM 1215 H1 TIP3 682 -11.175 3.040 -33.820 1.00 0.00 WT1 ATOM 1216 H2 TIP3 682 -10.757 2.231 -34.922 1.00 0.00 WT1 ATOM 1217 OH2 TIP3 699 -11.123 13.380 -25.830 1.00 0.00 WT1 ATOM 1218 H1 TIP3 699 -10.129 13.213 -25.836 1.00 0.00 WT1 ATOM 1219 H2 TIP3 699 -11.139 14.165 -25.238 1.00 0.00 WT1 ATOM 1220 OH2 TIP3 703 -10.890 6.712 -29.069 1.00 0.00 WT1 ATOM 1221 H1 TIP3 703 -10.420 7.502 -28.839 1.00 0.00 WT1 ATOM 1222 H2 TIP3 703 -10.870 6.184 -28.303 1.00 0.00 WT1 ATOM 1223 OH2 TIP3 713 0.401 9.363 -9.361 1.00 0.00 WT1 ATOM 1224 H1 TIP3 713 -0.027 10.055 -8.854 1.00 0.00 WT1 ATOM 1225 H2 TIP3 713 -0.406 8.941 -9.644 1.00 0.00 WT1 ATOM 1226 OH2 TIP3 741 2.729 12.944 -18.080 1.00 0.00 WT1 ATOM 1227 H1 TIP3 741 3.364 13.659 -18.187 1.00 0.00 WT1 ATOM 1228 H2 TIP3 741 3.392 12.183 -18.145 1.00 0.00 WT1 ATOM 1229 OH2 TIP3 835 8.516 -12.630 1.640 1.00 0.00 WT1 ATOM 1230 H1 TIP3 835 8.422 -11.697 1.378 1.00 0.00 WT1 ATOM 1231 H2 TIP3 835 8.175 -13.157 0.862 1.00 0.00 WT1 ATOM 1232 OH2 TIP3 855 -5.830 -3.235 8.701 1.00 0.00 WT1 ATOM 1233 H1 TIP3 855 -6.533 -3.906 8.580 1.00 0.00 WT1 ATOM 1234 H2 TIP3 855 -5.725 -3.179 9.696 1.00 0.00 WT1 ATOM 1235 OH2 TIP3 891 -3.399 -4.401 -29.663 1.00 0.00 WT1 ATOM 1236 H1 TIP3 891 -4.132 -4.188 -29.023 1.00 0.00 WT1 ATOM 1237 H2 TIP3 891 -2.610 -3.837 -29.385 1.00 0.00 WT1 ATOM 1238 OH2 TIP3 894 -10.190 -12.445 -16.895 1.00 0.00 WT1 ATOM 1239 H1 TIP3 894 -10.172 -11.513 -16.733 1.00 0.00 WT1 ATOM 1240 H2 TIP3 894 -11.153 -12.596 -16.508 1.00 0.00 WT1 ATOM 1241 OH2 TIP3 895 10.070 -12.377 -5.383 1.00 0.00 WT1 ATOM 1242 H1 TIP3 895 10.135 -11.555 -5.887 1.00 0.00 WT1 ATOM 1243 H2 TIP3 895 10.882 -12.799 -5.555 1.00 0.00 WT1 ATOM 1244 OH2 TIP3 896 -11.423 -10.087 5.664 1.00 0.00 WT1 ATOM 1245 H1 TIP3 896 -11.863 -10.664 6.308 1.00 0.00 WT1 ATOM 1246 H2 TIP3 896 -11.957 -9.249 5.848 1.00 0.00 WT1 ATOM 1247 OH2 TIP3 897 -15.012 10.177 -20.778 1.00 0.00 WT1 ATOM 1248 H1 TIP3 897 -15.414 10.577 -21.603 1.00 0.00 WT1 ATOM 1249 H2 TIP3 897 -14.838 9.276 -20.982 1.00 0.00 WT1 ATOM 1250 OH2 TIP3 899 0.969 -8.877 -8.986 1.00 0.00 WT1 ATOM 1251 H1 TIP3 899 1.390 -9.274 -9.757 1.00 0.00 WT1 ATOM 1252 H2 TIP3 899 1.531 -9.314 -8.310 1.00 0.00 WT1 ATOM 1253 OH2 TIP3 903 0.758 -15.478 16.743 1.00 0.00 WT1 ATOM 1254 H1 TIP3 903 -0.221 -15.521 16.589 1.00 0.00 WT1 ATOM 1255 H2 TIP3 903 0.697 -15.841 17.697 1.00 0.00 WT1 ATOM 1256 OH2 TIP3 911 -10.203 -11.248 -19.796 1.00 0.00 WT1 ATOM 1257 H1 TIP3 911 -10.759 -11.054 -19.013 1.00 0.00 WT1 ATOM 1258 H2 TIP3 911 -10.784 -10.867 -20.463 1.00 0.00 WT1 ATOM 1259 OH2 TIP3 916 3.051 -9.800 -7.039 1.00 0.00 WT1 ATOM 1260 H1 TIP3 916 3.380 -9.060 -6.448 1.00 0.00 WT1 ATOM 1261 H2 TIP3 916 3.758 -9.736 -7.679 1.00 0.00 WT1 ATOM 1262 OH2 TIP3 917 -13.404 -7.808 1.765 1.00 0.00 WT1 ATOM 1263 H1 TIP3 917 -14.104 -7.653 2.459 1.00 0.00 WT1 ATOM 1264 H2 TIP3 917 -13.165 -6.892 1.456 1.00 0.00 WT1 ATOM 1265 OH2 TIP3 921 -3.742 -14.642 7.703 1.00 0.00 WT1 ATOM 1266 H1 TIP3 921 -3.138 -14.037 8.184 1.00 0.00 WT1 ATOM 1267 H2 TIP3 921 -3.204 -15.123 7.108 1.00 0.00 WT1 ATOM 1268 OH2 TIP3 929 -12.937 -12.557 -16.057 1.00 0.00 WT1 ATOM 1269 H1 TIP3 929 -13.607 -13.296 -16.133 1.00 0.00 WT1 ATOM 1270 H2 TIP3 929 -13.164 -11.939 -15.323 1.00 0.00 WT1 ATOM 1271 OH2 TIP3 932 -12.237 -4.993 -35.737 1.00 0.00 WT1 ATOM 1272 H1 TIP3 932 -12.920 -4.409 -35.334 1.00 0.00 WT1 ATOM 1273 H2 TIP3 932 -11.400 -4.753 -35.196 1.00 0.00 WT1 ATOM 1274 OH2 TIP3 937 -11.915 -4.227 12.311 1.00 0.00 WT1 ATOM 1275 H1 TIP3 937 -11.298 -4.889 11.928 1.00 0.00 WT1 ATOM 1276 H2 TIP3 937 -11.402 -3.740 12.945 1.00 0.00 WT1 ATOM 1277 OH2 TIP3 942 3.596 -1.404 -24.691 1.00 0.00 WT1 ATOM 1278 H1 TIP3 942 3.634 -2.365 -24.532 1.00 0.00 WT1 ATOM 1279 H2 TIP3 942 2.811 -1.144 -24.179 1.00 0.00 WT1 ATOM 1280 OH2 TIP3 950 -6.625 -8.315 -30.598 1.00 0.00 WT1 ATOM 1281 H1 TIP3 950 -6.994 -7.462 -30.330 1.00 0.00 WT1 ATOM 1282 H2 TIP3 950 -6.361 -8.720 -29.724 1.00 0.00 WT1 ATOM 1283 OH2 TIP3 951 -15.255 -0.337 -38.650 1.00 0.00 WT1 ATOM 1284 H1 TIP3 951 -14.766 -0.241 -39.483 1.00 0.00 WT1 ATOM 1285 H2 TIP3 951 -14.773 -1.070 -38.199 1.00 0.00 WT1 ATOM 1286 OH2 TIP3 952 -8.554 -10.453 -26.472 1.00 0.00 WT1 ATOM 1287 H1 TIP3 952 -9.282 -10.478 -27.116 1.00 0.00 WT1 ATOM 1288 H2 TIP3 952 -7.873 -9.972 -26.992 1.00 0.00 WT1 ATOM 1289 OH2 TIP3 957 -9.300 -2.867 17.787 1.00 0.00 WT1 ATOM 1290 H1 TIP3 957 -10.218 -2.913 17.494 1.00 0.00 WT1 ATOM 1291 H2 TIP3 957 -9.412 -3.494 18.523 1.00 0.00 WT1 ATOM 1292 OH2 TIP3 961 -8.045 -10.803 -5.841 1.00 0.00 WT1 ATOM 1293 H1 TIP3 961 -8.348 -11.729 -5.856 1.00 0.00 WT1 ATOM 1294 H2 TIP3 961 -7.823 -10.640 -6.775 1.00 0.00 WT1 ATOM 1295 OH2 TIP3 962 -14.267 -7.236 -12.491 1.00 0.00 WT1 ATOM 1296 H1 TIP3 962 -14.194 -8.207 -12.778 1.00 0.00 WT1 ATOM 1297 H2 TIP3 962 -14.307 -7.221 -11.530 1.00 0.00 WT1 ATOM 1298 OH2 TIP3 963 7.000 -14.309 15.554 1.00 0.00 WT1 ATOM 1299 H1 TIP3 963 6.868 -14.801 16.323 1.00 0.00 WT1 ATOM 1300 H2 TIP3 963 6.226 -14.445 15.013 1.00 0.00 WT1 ATOM 1301 OH2 TIP3 965 -14.867 -1.692 -0.910 1.00 0.00 WT1 ATOM 1302 H1 TIP3 965 -14.676 -0.773 -1.129 1.00 0.00 WT1 ATOM 1303 H2 TIP3 965 -15.313 -1.633 -0.048 1.00 0.00 WT1 ATOM 1304 OH2 TIP3 970 -2.174 4.629 -42.183 1.00 0.00 WT1 ATOM 1305 H1 TIP3 970 -2.974 4.753 -42.681 1.00 0.00 WT1 ATOM 1306 H2 TIP3 970 -2.467 5.100 -41.377 1.00 0.00 WT1 ATOM 1307 OH2 TIP3 972 -9.376 6.244 -31.221 1.00 0.00 WT1 ATOM 1308 H1 TIP3 972 -9.844 5.512 -31.648 1.00 0.00 WT1 ATOM 1309 H2 TIP3 972 -9.968 6.214 -30.413 1.00 0.00 WT1 ATOM 1310 OH2 TIP3 974 -12.731 -7.655 -26.308 1.00 0.00 WT1 ATOM 1311 H1 TIP3 974 -12.616 -7.348 -27.223 1.00 0.00 WT1 ATOM 1312 H2 TIP3 974 -12.290 -8.476 -26.495 1.00 0.00 WT1 ATOM 1313 OH2 TIP3 977 -6.652 -12.372 -13.152 1.00 0.00 WT1 ATOM 1314 H1 TIP3 977 -5.887 -12.614 -13.601 1.00 0.00 WT1 ATOM 1315 H2 TIP3 977 -7.292 -13.122 -13.382 1.00 0.00 WT1 ATOM 1316 OH2 TIP3 978 -11.905 -2.963 -3.955 1.00 0.00 WT1 ATOM 1317 H1 TIP3 978 -12.440 -2.114 -4.105 1.00 0.00 WT1 ATOM 1318 H2 TIP3 978 -11.920 -3.352 -4.879 1.00 0.00 WT1 ATOM 1319 OH2 TIP3 980 -1.304 -9.069 15.476 1.00 0.00 WT1 ATOM 1320 H1 TIP3 980 -1.285 -8.299 16.043 1.00 0.00 WT1 ATOM 1321 H2 TIP3 980 -0.389 -9.306 15.331 1.00 0.00 WT1 ATOM 1322 OH2 TIP3 982 -7.261 4.502 13.828 1.00 0.00 WT1 ATOM 1323 H1 TIP3 982 -8.027 4.131 13.438 1.00 0.00 WT1 ATOM 1324 H2 TIP3 982 -6.706 3.759 13.983 1.00 0.00 WT1 ATOM 1325 OH2 TIP3 988 -11.532 -7.422 -36.962 1.00 0.00 WT1 ATOM 1326 H1 TIP3 988 -11.639 -7.806 -36.057 1.00 0.00 WT1 ATOM 1327 H2 TIP3 988 -12.197 -6.682 -36.847 1.00 0.00 WT1 ATOM 1328 OH2 TIP3 990 -3.907 3.716 -38.869 1.00 0.00 WT1 ATOM 1329 H1 TIP3 990 -4.777 3.569 -39.344 1.00 0.00 WT1 ATOM 1330 H2 TIP3 990 -3.698 4.572 -39.177 1.00 0.00 WT1 ATOM 1331 OH2 TIP3 991 -14.617 8.062 -15.366 1.00 0.00 WT1 ATOM 1332 H1 TIP3 991 -14.851 7.259 -15.844 1.00 0.00 WT1 ATOM 1333 H2 TIP3 991 -14.676 8.715 -16.148 1.00 0.00 WT1 ATOM 1334 OH2 TIP3 994 -3.215 -14.487 -11.560 1.00 0.00 WT1 ATOM 1335 H1 TIP3 994 -3.709 -15.281 -11.450 1.00 0.00 WT1 ATOM 1336 H2 TIP3 994 -3.718 -14.128 -12.340 1.00 0.00 WT1 ATOM 1337 OH2 TIP3 995 -15.541 4.952 -29.305 1.00 0.00 WT1 ATOM 1338 H1 TIP3 995 -16.085 5.057 -30.062 1.00 0.00 WT1 ATOM 1339 H2 TIP3 995 -16.017 5.687 -28.818 1.00 0.00 WT1 ATOM 1340 OH2 TIP3 996 -14.536 0.322 -13.063 1.00 0.00 WT1 ATOM 1341 H1 TIP3 996 -13.754 0.275 -12.391 1.00 0.00 WT1 ATOM 1342 H2 TIP3 996 -14.502 -0.573 -13.369 1.00 0.00 WT1 ATOM 1343 OH2 TIP3 999 -8.360 5.854 3.716 1.00 0.00 WT1 ATOM 1344 H1 TIP3 999 -8.246 4.944 3.455 1.00 0.00 WT1 ATOM 1345 H2 TIP3 999 -8.728 5.698 4.636 1.00 0.00 WT1 ATOM 1346 OH2 TIP3 1002 -14.512 -7.564 10.830 1.00 0.00 WT1 ATOM 1347 H1 TIP3 1002 -14.371 -7.016 10.020 1.00 0.00 WT1 ATOM 1348 H2 TIP3 1002 -14.868 -6.825 11.396 1.00 0.00 WT1 ATOM 1349 OH2 TIP3 1004 9.688 -0.377 -10.164 1.00 0.00 WT1 ATOM 1350 H1 TIP3 1004 8.774 -0.053 -10.249 1.00 0.00 WT1 ATOM 1351 H2 TIP3 1004 10.077 0.345 -9.698 1.00 0.00 WT1 ATOM 1352 OH2 TIP3 1006 -15.342 -0.918 20.671 1.00 0.00 WT1 ATOM 1353 H1 TIP3 1006 -14.574 -0.523 21.154 1.00 0.00 WT1 ATOM 1354 H2 TIP3 1006 -15.869 -1.383 21.313 1.00 0.00 WT1 ATOM 1355 OH2 TIP3 1008 -6.328 -4.981 5.473 1.00 0.00 WT1 ATOM 1356 H1 TIP3 1008 -7.086 -5.190 4.865 1.00 0.00 WT1 ATOM 1357 H2 TIP3 1008 -5.808 -4.506 4.730 1.00 0.00 WT1 ATOM 1358 OH2 TIP3 1012 -1.363 15.526 -15.649 1.00 0.00 WT1 ATOM 1359 H1 TIP3 1012 -0.752 15.443 -14.843 1.00 0.00 WT1 ATOM 1360 H2 TIP3 1012 -0.787 15.904 -16.289 1.00 0.00 WT1 ATOM 1361 OH2 TIP3 1014 -12.088 0.704 -36.335 1.00 0.00 WT1 ATOM 1362 H1 TIP3 1014 -11.365 1.262 -36.678 1.00 0.00 WT1 ATOM 1363 H2 TIP3 1014 -12.326 1.178 -35.572 1.00 0.00 WT1 ATOM 1364 OH2 TIP3 1017 -14.571 2.575 -27.414 1.00 0.00 WT1 ATOM 1365 H1 TIP3 1017 -15.089 2.042 -28.042 1.00 0.00 WT1 ATOM 1366 H2 TIP3 1017 -14.702 3.429 -27.648 1.00 0.00 WT1 ATOM 1367 OH2 TIP3 1022 -8.483 -5.366 0.269 1.00 0.00 WT1 ATOM 1368 H1 TIP3 1022 -9.152 -5.906 -0.222 1.00 0.00 WT1 ATOM 1369 H2 TIP3 1022 -7.888 -5.101 -0.479 1.00 0.00 WT1 ATOM 1370 OH2 TIP3 1023 -19.359 1.028 -28.825 1.00 0.00 WT1 ATOM 1371 H1 TIP3 1023 -19.770 1.068 -27.942 1.00 0.00 WT1 ATOM 1372 H2 TIP3 1023 -19.096 1.906 -28.981 1.00 0.00 WT1 ATOM 1373 OH2 TIP3 1040 -2.067 17.060 -20.256 1.00 0.00 WT1 ATOM 1374 H1 TIP3 1040 -2.705 16.768 -19.603 1.00 0.00 WT1 ATOM 1375 H2 TIP3 1040 -2.442 16.799 -21.134 1.00 0.00 WT1 ATOM 1376 OH2 TIP3 1045 -7.687 6.927 1.472 1.00 0.00 WT1 ATOM 1377 H1 TIP3 1045 -8.190 6.542 2.215 1.00 0.00 WT1 ATOM 1378 H2 TIP3 1045 -6.854 6.774 1.914 1.00 0.00 WT1 ATOM 1379 OH2 TIP3 1046 -14.220 5.977 2.164 1.00 0.00 WT1 ATOM 1380 H1 TIP3 1046 -14.477 6.417 2.910 1.00 0.00 WT1 ATOM 1381 H2 TIP3 1046 -13.238 5.864 2.265 1.00 0.00 WT1 ATOM 1382 OH2 TIP3 1047 3.414 3.266 11.759 1.00 0.00 WT1 ATOM 1383 H1 TIP3 1047 2.702 3.126 11.162 1.00 0.00 WT1 ATOM 1384 H2 TIP3 1047 3.980 3.527 10.989 1.00 0.00 WT1 ATOM 1385 OH2 TIP3 1050 9.202 3.305 18.109 1.00 0.00 WT1 ATOM 1386 H1 TIP3 1050 9.015 4.029 18.801 1.00 0.00 WT1 ATOM 1387 H2 TIP3 1050 9.927 2.883 18.628 1.00 0.00 WT1 ATOM 1388 OH2 TIP3 1056 12.468 1.807 -23.123 1.00 0.00 WT1 ATOM 1389 H1 TIP3 1056 12.397 0.877 -23.238 1.00 0.00 WT1 ATOM 1390 H2 TIP3 1056 12.366 2.106 -24.000 1.00 0.00 WT1 ATOM 1391 OH2 TIP3 1058 1.359 2.707 -40.066 1.00 0.00 WT1 ATOM 1392 H1 TIP3 1058 1.311 1.770 -39.838 1.00 0.00 WT1 ATOM 1393 H2 TIP3 1058 0.965 2.695 -40.954 1.00 0.00 WT1 ATOM 1394 OH2 TIP3 1059 1.070 8.469 -24.070 1.00 0.00 WT1 ATOM 1395 H1 TIP3 1059 0.532 8.990 -24.797 1.00 0.00 WT1 ATOM 1396 H2 TIP3 1059 1.654 7.843 -24.526 1.00 0.00 WT1 ATOM 1397 OH2 TIP3 1061 -7.342 2.581 -9.613 1.00 0.00 WT1 ATOM 1398 H1 TIP3 1061 -8.330 2.664 -9.828 1.00 0.00 WT1 ATOM 1399 H2 TIP3 1061 -7.362 2.624 -8.599 1.00 0.00 WT1 ATOM 1400 OH2 TIP3 1062 -6.752 10.633 -1.761 1.00 0.00 WT1 ATOM 1401 H1 TIP3 1062 -6.805 9.839 -2.351 1.00 0.00 WT1 ATOM 1402 H2 TIP3 1062 -7.614 10.627 -1.342 1.00 0.00 WT1 ATOM 1403 OH2 TIP3 1063 -8.197 9.631 -10.171 1.00 0.00 WT1 ATOM 1404 H1 TIP3 1063 -8.235 9.088 -10.928 1.00 0.00 WT1 ATOM 1405 H2 TIP3 1063 -8.574 9.076 -9.406 1.00 0.00 WT1 ATOM 1406 OH2 TIP3 1069 -0.377 -14.252 7.047 1.00 0.00 WT1 ATOM 1407 H1 TIP3 1069 -0.157 -14.317 6.028 1.00 0.00 WT1 ATOM 1408 H2 TIP3 1069 -0.262 -15.217 7.094 1.00 0.00 WT1 ATOM 1409 OH2 TIP3 1071 -5.581 -11.945 15.425 1.00 0.00 WT1 ATOM 1410 H1 TIP3 1071 -6.093 -11.364 14.845 1.00 0.00 WT1 ATOM 1411 H2 TIP3 1071 -4.947 -12.373 14.860 1.00 0.00 WT1 ATOM 1412 OH2 TIP3 1074 -3.619 0.830 0.733 1.00 0.00 WT1 ATOM 1413 H1 TIP3 1074 -2.685 0.969 0.842 1.00 0.00 WT1 ATOM 1414 H2 TIP3 1074 -3.763 0.812 -0.224 1.00 0.00 WT1 ATOM 1415 OH2 TIP3 1080 -9.707 5.259 -14.234 1.00 0.00 WT1 ATOM 1416 H1 TIP3 1080 -10.434 5.804 -14.022 1.00 0.00 WT1 ATOM 1417 H2 TIP3 1080 -10.022 4.829 -15.036 1.00 0.00 WT1 ATOM 1418 OH2 TIP3 1085 1.449 9.249 -5.713 1.00 0.00 WT1 ATOM 1419 H1 TIP3 1085 0.932 10.035 -5.805 1.00 0.00 WT1 ATOM 1420 H2 TIP3 1085 1.399 8.760 -6.544 1.00 0.00 WT1 ATOM 1421 OH2 TIP3 1090 -14.259 0.939 -0.875 1.00 0.00 WT1 ATOM 1422 H1 TIP3 1090 -14.071 1.864 -1.027 1.00 0.00 WT1 ATOM 1423 H2 TIP3 1090 -13.994 0.935 0.056 1.00 0.00 WT1 ATOM 1424 OH2 TIP3 1091 -1.204 11.245 -13.697 1.00 0.00 WT1 ATOM 1425 H1 TIP3 1091 -0.989 11.668 -14.595 1.00 0.00 WT1 ATOM 1426 H2 TIP3 1091 -2.177 11.481 -13.621 1.00 0.00 WT1 ATOM 1427 OH2 TIP3 1096 0.993 11.266 -31.120 1.00 0.00 WT1 ATOM 1428 H1 TIP3 1096 1.743 11.854 -31.219 1.00 0.00 WT1 ATOM 1429 H2 TIP3 1096 1.423 10.432 -31.239 1.00 0.00 WT1 ATOM 1430 OH2 TIP3 1099 -5.955 11.671 -7.261 1.00 0.00 WT1 ATOM 1431 H1 TIP3 1099 -6.648 11.005 -7.052 1.00 0.00 WT1 ATOM 1432 H2 TIP3 1099 -6.338 11.932 -8.040 1.00 0.00 WT1 ATOM 1433 OH2 TIP3 1100 -20.599 3.108 -21.660 1.00 0.00 WT1 ATOM 1434 H1 TIP3 1100 -21.158 3.811 -21.378 1.00 0.00 WT1 ATOM 1435 H2 TIP3 1100 -20.283 2.882 -20.787 1.00 0.00 WT1 ATOM 1436 OH2 TIP3 1101 -8.786 3.243 -22.733 1.00 0.00 WT1 ATOM 1437 H1 TIP3 1101 -9.672 3.187 -23.228 1.00 0.00 WT1 ATOM 1438 H2 TIP3 1101 -8.114 3.018 -23.445 1.00 0.00 WT1 ATOM 1439 OH2 TIP3 1102 -12.633 0.063 1.494 1.00 0.00 WT1 ATOM 1440 H1 TIP3 1102 -13.441 0.448 1.943 1.00 0.00 WT1 ATOM 1441 H2 TIP3 1102 -12.040 -0.209 2.273 1.00 0.00 WT1 ATOM 1442 OH2 TIP3 1103 -9.819 0.831 -38.022 1.00 0.00 WT1 ATOM 1443 H1 TIP3 1103 -8.878 1.041 -37.911 1.00 0.00 WT1 ATOM 1444 H2 TIP3 1103 -10.118 1.004 -38.915 1.00 0.00 WT1 ATOM 1445 OH2 TIP3 1107 -15.716 2.935 -19.663 1.00 0.00 WT1 ATOM 1446 H1 TIP3 1107 -15.035 2.426 -20.039 1.00 0.00 WT1 ATOM 1447 H2 TIP3 1107 -16.458 2.426 -19.929 1.00 0.00 WT1 ATOM 1448 OH2 TIP3 1115 0.326 -0.551 -37.683 1.00 0.00 WT1 ATOM 1449 H1 TIP3 1115 0.171 -0.321 -38.624 1.00 0.00 WT1 ATOM 1450 H2 TIP3 1115 0.929 -1.315 -37.784 1.00 0.00 WT1 ATOM 1451 OH2 TIP3 1117 0.346 5.430 -40.264 1.00 0.00 WT1 ATOM 1452 H1 TIP3 1117 -0.574 5.446 -40.051 1.00 0.00 WT1 ATOM 1453 H2 TIP3 1117 0.512 4.512 -40.458 1.00 0.00 WT1 ATOM 1454 OH2 TIP3 1118 -10.688 6.560 -23.127 1.00 0.00 WT1 ATOM 1455 H1 TIP3 1118 -11.033 7.409 -22.708 1.00 0.00 WT1 ATOM 1456 H2 TIP3 1118 -11.167 5.945 -22.553 1.00 0.00 WT1 ATOM 1457 OH2 TIP3 1120 5.412 6.894 -24.307 1.00 0.00 WT1 ATOM 1458 H1 TIP3 1120 4.547 6.527 -24.553 1.00 0.00 WT1 ATOM 1459 H2 TIP3 1120 5.465 6.933 -23.308 1.00 0.00 WT1 ATOM 1460 OH2 TIP3 1127 -5.149 8.439 6.606 1.00 0.00 WT1 ATOM 1461 H1 TIP3 1127 -5.540 8.355 7.478 1.00 0.00 WT1 ATOM 1462 H2 TIP3 1127 -4.893 9.388 6.744 1.00 0.00 WT1 ATOM 1463 OH2 TIP3 1131 8.837 9.441 7.639 1.00 0.00 WT1 ATOM 1464 H1 TIP3 1131 9.239 10.255 7.982 1.00 0.00 WT1 ATOM 1465 H2 TIP3 1131 8.074 9.446 8.225 1.00 0.00 WT1 ATOM 1466 OH2 TIP3 1145 4.269 3.625 -19.856 1.00 0.00 WT1 ATOM 1467 H1 TIP3 1145 4.260 4.503 -19.479 1.00 0.00 WT1 ATOM 1468 H2 TIP3 1145 4.894 3.220 -19.242 1.00 0.00 WT1 ATOM 1469 OH2 TIP3 1147 -6.950 7.999 -16.763 1.00 0.00 WT1 ATOM 1470 H1 TIP3 1147 -7.278 8.868 -16.995 1.00 0.00 WT1 ATOM 1471 H2 TIP3 1147 -6.206 7.875 -17.339 1.00 0.00 WT1 ATOM 1472 OH2 TIP3 1148 -9.942 3.061 -4.440 1.00 0.00 WT1 ATOM 1473 H1 TIP3 1148 -9.282 2.881 -3.736 1.00 0.00 WT1 ATOM 1474 H2 TIP3 1148 -10.713 2.706 -3.972 1.00 0.00 WT1 ATOM 1475 OH2 TIP3 1151 5.689 1.757 -3.278 1.00 0.00 WT1 ATOM 1476 H1 TIP3 1151 5.635 2.161 -2.450 1.00 0.00 WT1 ATOM 1477 H2 TIP3 1151 6.396 1.116 -3.056 1.00 0.00 WT1 ATOM 1478 OH2 TIP3 1197 4.877 12.624 -37.513 1.00 0.00 WT1 ATOM 1479 H1 TIP3 1197 3.996 12.356 -37.704 1.00 0.00 WT1 ATOM 1480 H2 TIP3 1197 4.787 13.559 -37.320 1.00 0.00 WT1 ATOM 1481 OH2 TIP3 1202 3.844 6.282 -19.130 1.00 0.00 WT1 ATOM 1482 H1 TIP3 1202 4.606 6.454 -18.539 1.00 0.00 WT1 ATOM 1483 H2 TIP3 1202 3.089 6.524 -18.552 1.00 0.00 WT1 ATOM 1484 OH2 TIP3 1253 -7.099 -15.209 -1.965 1.00 0.00 WT1 ATOM 1485 H1 TIP3 1253 -7.971 -15.407 -2.316 1.00 0.00 WT1 ATOM 1486 H2 TIP3 1253 -7.059 -14.256 -2.160 1.00 0.00 WT1 ATOM 1487 OH2 TIP3 1297 -15.011 -6.168 -4.314 1.00 0.00 WT1 ATOM 1488 H1 TIP3 1297 -14.983 -5.263 -4.774 1.00 0.00 WT1 ATOM 1489 H2 TIP3 1297 -15.210 -5.801 -3.445 1.00 0.00 WT1 ATOM 1490 OH2 TIP3 1308 0.148 14.194 -22.529 1.00 0.00 WT1 ATOM 1491 H1 TIP3 1308 0.736 14.493 -23.227 1.00 0.00 WT1 ATOM 1492 H2 TIP3 1308 -0.723 14.110 -22.973 1.00 0.00 WT1 ATOM 1493 OH2 TIP3 1309 2.127 -13.334 -21.709 1.00 0.00 WT1 ATOM 1494 H1 TIP3 1309 1.365 -13.929 -21.891 1.00 0.00 WT1 ATOM 1495 H2 TIP3 1309 1.614 -12.547 -21.963 1.00 0.00 WT1 ATOM 1496 OH2 TIP3 1311 -1.137 -7.814 -22.722 1.00 0.00 WT1 ATOM 1497 H1 TIP3 1311 -1.207 -7.986 -23.708 1.00 0.00 WT1 ATOM 1498 H2 TIP3 1311 -1.661 -8.531 -22.371 1.00 0.00 WT1 ATOM 1499 OH2 TIP3 1330 -5.586 -11.824 -27.459 1.00 0.00 WT1 ATOM 1500 H1 TIP3 1330 -6.469 -12.199 -27.810 1.00 0.00 WT1 ATOM 1501 H2 TIP3 1330 -5.682 -11.730 -26.470 1.00 0.00 WT1 ATOM 1502 OH2 TIP3 1333 0.096 -11.171 -22.267 1.00 0.00 WT1 ATOM 1503 H1 TIP3 1333 0.855 -10.510 -22.441 1.00 0.00 WT1 ATOM 1504 H2 TIP3 1333 -0.455 -11.157 -23.082 1.00 0.00 WT1 ATOM 1505 OH2 TIP3 1334 -2.612 -12.697 -9.470 1.00 0.00 WT1 ATOM 1506 H1 TIP3 1334 -3.500 -12.232 -9.387 1.00 0.00 WT1 ATOM 1507 H2 TIP3 1334 -2.838 -13.420 -10.019 1.00 0.00 WT1 ATOM 1508 OH2 TIP3 1337 -2.915 -15.963 -7.880 1.00 0.00 WT1 ATOM 1509 H1 TIP3 1337 -2.003 -15.913 -8.021 1.00 0.00 WT1 ATOM 1510 H2 TIP3 1337 -2.930 -15.405 -7.083 1.00 0.00 WT1 ATOM 1511 OH2 TIP3 1340 -12.178 1.787 5.266 1.00 0.00 WT1 ATOM 1512 H1 TIP3 1340 -12.766 1.967 5.959 1.00 0.00 WT1 ATOM 1513 H2 TIP3 1340 -12.109 0.834 5.322 1.00 0.00 WT1 ATOM 1514 OH2 TIP3 1342 3.649 -14.248 -5.033 1.00 0.00 WT1 ATOM 1515 H1 TIP3 1342 4.607 -13.957 -4.771 1.00 0.00 WT1 ATOM 1516 H2 TIP3 1342 3.912 -14.841 -5.698 1.00 0.00 WT1 ATOM 1517 OH2 TIP3 1343 -14.458 0.942 15.249 1.00 0.00 WT1 ATOM 1518 H1 TIP3 1343 -14.473 1.873 15.413 1.00 0.00 WT1 ATOM 1519 H2 TIP3 1343 -14.803 0.680 16.147 1.00 0.00 WT1 ATOM 1520 OH2 TIP3 1344 -3.169 14.233 -29.353 1.00 0.00 WT1 ATOM 1521 H1 TIP3 1344 -3.239 14.994 -28.684 1.00 0.00 WT1 ATOM 1522 H2 TIP3 1344 -2.347 14.565 -29.779 1.00 0.00 WT1 ATOM 1523 OH2 TIP3 1348 -10.738 -13.375 9.931 1.00 0.00 WT1 ATOM 1524 H1 TIP3 1348 -10.363 -14.025 10.550 1.00 0.00 WT1 ATOM 1525 H2 TIP3 1348 -10.471 -12.582 10.430 1.00 0.00 WT1 ATOM 1526 OH2 TIP3 1349 -1.174 -5.079 -24.185 1.00 0.00 WT1 ATOM 1527 H1 TIP3 1349 -0.913 -4.813 -25.074 1.00 0.00 WT1 ATOM 1528 H2 TIP3 1349 -0.459 -4.654 -23.619 1.00 0.00 WT1 ATOM 1529 OH2 TIP3 1355 -9.048 -2.639 -29.950 1.00 0.00 WT1 ATOM 1530 H1 TIP3 1355 -9.036 -2.472 -30.906 1.00 0.00 WT1 ATOM 1531 H2 TIP3 1355 -8.159 -2.350 -29.674 1.00 0.00 WT1 ATOM 1532 OH2 TIP3 1356 -11.676 -7.355 -18.546 1.00 0.00 WT1 ATOM 1533 H1 TIP3 1356 -11.545 -7.633 -19.445 1.00 0.00 WT1 ATOM 1534 H2 TIP3 1356 -12.560 -6.938 -18.597 1.00 0.00 WT1 ATOM 1535 OH2 TIP3 1357 -15.052 -3.398 3.971 1.00 0.00 WT1 ATOM 1536 H1 TIP3 1357 -15.467 -3.098 4.753 1.00 0.00 WT1 ATOM 1537 H2 TIP3 1357 -14.116 -3.417 4.096 1.00 0.00 WT1 ATOM 1538 OH2 TIP3 1359 2.774 3.373 4.656 1.00 0.00 WT1 ATOM 1539 H1 TIP3 1359 3.454 2.724 4.915 1.00 0.00 WT1 ATOM 1540 H2 TIP3 1359 2.344 3.284 5.503 1.00 0.00 WT1 ATOM 1541 OH2 TIP3 1361 4.324 -0.523 2.949 1.00 0.00 WT1 ATOM 1542 H1 TIP3 1361 4.661 -1.097 2.261 1.00 0.00 WT1 ATOM 1543 H2 TIP3 1361 4.004 0.217 2.404 1.00 0.00 WT1 ATOM 1544 OH2 TIP3 1363 6.398 1.156 7.045 1.00 0.00 WT1 ATOM 1545 H1 TIP3 1363 5.680 1.429 6.468 1.00 0.00 WT1 ATOM 1546 H2 TIP3 1363 7.024 0.842 6.383 1.00 0.00 WT1 ATOM 1547 OH2 TIP3 1365 -3.510 -11.713 7.240 1.00 0.00 WT1 ATOM 1548 H1 TIP3 1365 -2.806 -11.852 7.853 1.00 0.00 WT1 ATOM 1549 H2 TIP3 1365 -3.416 -10.745 7.087 1.00 0.00 WT1 ATOM 1550 OH2 TIP3 1367 -7.601 -1.896 -39.354 1.00 0.00 WT1 ATOM 1551 H1 TIP3 1367 -7.280 -1.823 -38.428 1.00 0.00 WT1 ATOM 1552 H2 TIP3 1367 -8.145 -2.708 -39.238 1.00 0.00 WT1 ATOM 1553 OH2 TIP3 1369 16.264 -6.275 26.781 1.00 0.00 WT1 ATOM 1554 H1 TIP3 1369 16.470 -6.026 25.876 1.00 0.00 WT1 ATOM 1555 H2 TIP3 1369 16.155 -5.383 27.124 1.00 0.00 WT1 ATOM 1556 OH2 TIP3 1371 -5.831 16.448 -28.348 1.00 0.00 WT1 ATOM 1557 H1 TIP3 1371 -6.190 16.252 -29.276 1.00 0.00 WT1 ATOM 1558 H2 TIP3 1371 -4.842 16.317 -28.375 1.00 0.00 WT1 ATOM 1559 OH2 TIP3 1376 -8.435 -14.497 -16.891 1.00 0.00 WT1 ATOM 1560 H1 TIP3 1376 -8.224 -14.003 -17.714 1.00 0.00 WT1 ATOM 1561 H2 TIP3 1376 -9.153 -13.908 -16.570 1.00 0.00 WT1 ATOM 1562 OH2 TIP3 1380 -12.769 -3.758 -9.295 1.00 0.00 WT1 ATOM 1563 H1 TIP3 1380 -12.448 -3.101 -10.074 1.00 0.00 WT1 ATOM 1564 H2 TIP3 1380 -13.579 -4.134 -9.720 1.00 0.00 WT1 ATOM 1565 OH2 TIP3 1381 -6.927 -10.128 -1.507 1.00 0.00 WT1 ATOM 1566 H1 TIP3 1381 -6.998 -10.780 -0.852 1.00 0.00 WT1 ATOM 1567 H2 TIP3 1381 -6.076 -9.667 -1.297 1.00 0.00 WT1 ATOM 1568 OH2 TIP3 1384 2.817 -11.460 18.292 1.00 0.00 WT1 ATOM 1569 H1 TIP3 1384 3.307 -12.194 17.817 1.00 0.00 WT1 ATOM 1570 H2 TIP3 1384 3.521 -10.845 18.407 1.00 0.00 WT1 ATOM 1571 OH2 TIP3 1388 -7.428 -5.640 -29.824 1.00 0.00 WT1 ATOM 1572 H1 TIP3 1388 -7.973 -4.833 -29.812 1.00 0.00 WT1 ATOM 1573 H2 TIP3 1388 -6.664 -5.381 -29.309 1.00 0.00 WT1 ATOM 1574 OH2 TIP3 1389 -16.456 -2.506 -24.470 1.00 0.00 WT1 ATOM 1575 H1 TIP3 1389 -15.681 -2.175 -24.820 1.00 0.00 WT1 ATOM 1576 H2 TIP3 1389 -16.377 -3.416 -24.737 1.00 0.00 WT1 ATOM 1577 OH2 TIP3 1390 13.121 -0.857 1.804 1.00 0.00 WT1 ATOM 1578 H1 TIP3 1390 13.155 -1.869 1.776 1.00 0.00 WT1 ATOM 1579 H2 TIP3 1390 12.974 -0.806 2.712 1.00 0.00 WT1 ATOM 1580 OH2 TIP3 1392 -4.854 -4.545 -32.041 1.00 0.00 WT1 ATOM 1581 H1 TIP3 1392 -4.684 -5.485 -32.231 1.00 0.00 WT1 ATOM 1582 H2 TIP3 1392 -4.318 -4.350 -31.242 1.00 0.00 WT1 ATOM 1583 OH2 TIP3 1394 3.952 -8.127 -5.018 1.00 0.00 WT1 ATOM 1584 H1 TIP3 1394 4.430 -8.494 -4.209 1.00 0.00 WT1 ATOM 1585 H2 TIP3 1394 4.265 -7.185 -5.012 1.00 0.00 WT1 ATOM 1586 OH2 TIP3 1396 -21.950 4.276 -19.584 1.00 0.00 WT1 ATOM 1587 H1 TIP3 1396 -21.549 5.064 -19.130 1.00 0.00 WT1 ATOM 1588 H2 TIP3 1396 -22.802 4.596 -19.724 1.00 0.00 WT1 ATOM 1589 OH2 TIP3 1398 7.723 3.370 -19.910 1.00 0.00 WT1 ATOM 1590 H1 TIP3 1398 7.570 3.479 -20.860 1.00 0.00 WT1 ATOM 1591 H2 TIP3 1398 8.005 2.442 -19.784 1.00 0.00 WT1 ATOM 1592 OH2 TIP3 1400 -10.525 6.378 8.130 1.00 0.00 WT1 ATOM 1593 H1 TIP3 1400 -11.330 5.839 8.309 1.00 0.00 WT1 ATOM 1594 H2 TIP3 1400 -10.347 6.711 9.027 1.00 0.00 WT1 ATOM 1595 OH2 TIP3 1402 -5.396 1.415 7.384 1.00 0.00 WT1 ATOM 1596 H1 TIP3 1402 -5.206 0.514 7.724 1.00 0.00 WT1 ATOM 1597 H2 TIP3 1402 -6.205 1.261 6.765 1.00 0.00 WT1 ATOM 1598 OH2 TIP3 1404 -2.884 5.480 -13.534 1.00 0.00 WT1 ATOM 1599 H1 TIP3 1404 -2.327 5.430 -12.693 1.00 0.00 WT1 ATOM 1600 H2 TIP3 1404 -3.762 5.194 -13.276 1.00 0.00 WT1 ATOM 1601 OH2 TIP3 1406 6.473 -16.364 3.991 1.00 0.00 WT1 ATOM 1602 H1 TIP3 1406 7.329 -16.577 4.460 1.00 0.00 WT1 ATOM 1603 H2 TIP3 1406 6.409 -15.426 4.315 1.00 0.00 WT1 ATOM 1604 OH2 TIP3 1407 -12.523 11.591 -21.342 1.00 0.00 WT1 ATOM 1605 H1 TIP3 1407 -13.111 11.962 -22.124 1.00 0.00 WT1 ATOM 1606 H2 TIP3 1407 -13.202 11.459 -20.671 1.00 0.00 WT1 ATOM 1607 OH2 TIP3 1413 -2.586 -12.340 -31.907 1.00 0.00 WT1 ATOM 1608 H1 TIP3 1413 -2.546 -13.021 -32.644 1.00 0.00 WT1 ATOM 1609 H2 TIP3 1413 -3.454 -11.894 -32.138 1.00 0.00 WT1 ATOM 1610 OH2 TIP3 1415 -7.687 -9.941 -19.013 1.00 0.00 WT1 ATOM 1611 H1 TIP3 1415 -8.491 -10.323 -19.377 1.00 0.00 WT1 ATOM 1612 H2 TIP3 1415 -8.094 -9.165 -18.544 1.00 0.00 WT1 ATOM 1613 OH2 TIP3 1416 -16.231 -3.141 -14.450 1.00 0.00 WT1 ATOM 1614 H1 TIP3 1416 -16.040 -2.681 -13.632 1.00 0.00 WT1 ATOM 1615 H2 TIP3 1416 -16.123 -4.082 -14.254 1.00 0.00 WT1 ATOM 1616 OH2 TIP3 1424 0.997 -16.954 13.152 1.00 0.00 WT1 ATOM 1617 H1 TIP3 1424 0.084 -17.162 12.970 1.00 0.00 WT1 ATOM 1618 H2 TIP3 1424 1.151 -17.618 13.791 1.00 0.00 WT1 ATOM 1619 OH2 TIP3 1426 -11.095 -0.880 6.026 1.00 0.00 WT1 ATOM 1620 H1 TIP3 1426 -10.786 -0.273 6.736 1.00 0.00 WT1 ATOM 1621 H2 TIP3 1426 -10.548 -1.625 6.175 1.00 0.00 WT1 ATOM 1622 OH2 TIP3 1430 -0.570 15.268 -29.730 1.00 0.00 WT1 ATOM 1623 H1 TIP3 1430 0.070 15.448 -30.442 1.00 0.00 WT1 ATOM 1624 H2 TIP3 1430 -0.063 15.702 -28.996 1.00 0.00 WT1 ATOM 1625 OH2 TIP3 1431 1.431 7.840 -39.625 1.00 0.00 WT1 ATOM 1626 H1 TIP3 1431 2.197 7.380 -39.385 1.00 0.00 WT1 ATOM 1627 H2 TIP3 1431 0.869 7.042 -39.870 1.00 0.00 WT1 ATOM 1628 OH2 TIP3 1435 -11.992 -3.670 -31.491 1.00 0.00 WT1 ATOM 1629 H1 TIP3 1435 -12.664 -4.255 -31.969 1.00 0.00 WT1 ATOM 1630 H2 TIP3 1435 -11.280 -4.050 -32.032 1.00 0.00 WT1 ATOM 1631 OH2 TIP3 1436 -16.876 1.298 -8.714 1.00 0.00 WT1 ATOM 1632 H1 TIP3 1436 -17.169 1.642 -9.550 1.00 0.00 WT1 ATOM 1633 H2 TIP3 1436 -16.760 2.196 -8.239 1.00 0.00 WT1 ATOM 1634 OH2 TIP3 1437 1.005 -13.079 -17.796 1.00 0.00 WT1 ATOM 1635 H1 TIP3 1437 0.323 -12.877 -18.582 1.00 0.00 WT1 ATOM 1636 H2 TIP3 1437 0.373 -13.455 -17.106 1.00 0.00 WT1 ATOM 1637 OH2 TIP3 1439 -11.782 3.215 2.633 1.00 0.00 WT1 ATOM 1638 H1 TIP3 1439 -12.622 2.965 3.048 1.00 0.00 WT1 ATOM 1639 H2 TIP3 1439 -11.840 4.205 2.821 1.00 0.00 WT1 ATOM 1640 OH2 TIP3 1442 -8.256 7.693 -21.861 1.00 0.00 WT1 ATOM 1641 H1 TIP3 1442 -8.948 7.156 -22.360 1.00 0.00 WT1 ATOM 1642 H2 TIP3 1442 -7.904 7.024 -21.221 1.00 0.00 WT1 ATOM 1643 OH2 TIP3 1444 0.593 -5.785 -21.554 1.00 0.00 WT1 ATOM 1644 H1 TIP3 1444 1.386 -6.068 -22.070 1.00 0.00 WT1 ATOM 1645 H2 TIP3 1444 -0.067 -6.397 -21.787 1.00 0.00 WT1 ATOM 1646 OH2 TIP3 1446 -14.780 1.831 9.061 1.00 0.00 WT1 ATOM 1647 H1 TIP3 1446 -15.164 2.429 9.729 1.00 0.00 WT1 ATOM 1648 H2 TIP3 1446 -15.199 0.949 9.253 1.00 0.00 WT1 ATOM 1649 OH2 TIP3 1448 3.124 14.814 5.190 1.00 0.00 WT1 ATOM 1650 H1 TIP3 1448 2.686 14.760 6.105 1.00 0.00 WT1 ATOM 1651 H2 TIP3 1448 3.021 13.930 4.842 1.00 0.00 WT1 ATOM 1652 OH2 TIP3 1449 -1.032 1.587 0.559 1.00 0.00 WT1 ATOM 1653 H1 TIP3 1449 -0.233 1.638 1.190 1.00 0.00 WT1 ATOM 1654 H2 TIP3 1449 -0.506 1.501 -0.265 1.00 0.00 WT1 ATOM 1655 OH2 TIP3 1450 -2.737 10.114 -35.785 1.00 0.00 WT1 ATOM 1656 H1 TIP3 1450 -2.608 10.138 -34.842 1.00 0.00 WT1 ATOM 1657 H2 TIP3 1450 -3.475 10.750 -35.912 1.00 0.00 WT1 ATOM 1658 OH2 TIP3 1453 -2.169 -6.170 -37.624 1.00 0.00 WT1 ATOM 1659 H1 TIP3 1453 -2.865 -5.741 -37.152 1.00 0.00 WT1 ATOM 1660 H2 TIP3 1453 -2.576 -6.972 -37.913 1.00 0.00 WT1 ATOM 1661 OH2 TIP3 1454 -8.068 0.515 -40.914 1.00 0.00 WT1 ATOM 1662 H1 TIP3 1454 -9.017 0.773 -41.100 1.00 0.00 WT1 ATOM 1663 H2 TIP3 1454 -8.125 -0.366 -40.446 1.00 0.00 WT1 ATOM 1664 OH2 TIP3 1455 -7.801 5.919 -9.167 1.00 0.00 WT1 ATOM 1665 H1 TIP3 1455 -8.004 5.467 -8.335 1.00 0.00 WT1 ATOM 1666 H2 TIP3 1455 -7.736 5.105 -9.659 1.00 0.00 WT1 ATOM 1667 OH2 TIP3 1456 -8.569 -14.164 -13.751 1.00 0.00 WT1 ATOM 1668 H1 TIP3 1456 -8.205 -14.624 -14.580 1.00 0.00 WT1 ATOM 1669 H2 TIP3 1456 -9.138 -13.438 -14.155 1.00 0.00 WT1 ATOM 1670 OH2 TIP3 1457 -0.017 -14.127 -22.976 1.00 0.00 WT1 ATOM 1671 H1 TIP3 1457 -0.378 -13.763 -23.787 1.00 0.00 WT1 ATOM 1672 H2 TIP3 1457 -0.794 -14.662 -22.730 1.00 0.00 WT1 ATOM 1673 OH2 TIP3 1460 -2.231 1.655 -6.248 1.00 0.00 WT1 ATOM 1674 H1 TIP3 1460 -1.722 0.925 -6.674 1.00 0.00 WT1 ATOM 1675 H2 TIP3 1460 -2.349 2.255 -7.033 1.00 0.00 WT1 ATOM 1676 OH2 TIP3 1461 -9.514 -9.914 -2.539 1.00 0.00 WT1 ATOM 1677 H1 TIP3 1461 -10.080 -10.047 -1.755 1.00 0.00 WT1 ATOM 1678 H2 TIP3 1461 -8.649 -9.966 -2.172 1.00 0.00 WT1 ATOM 1679 OH2 TIP3 1462 -6.261 -3.441 11.457 1.00 0.00 WT1 ATOM 1680 H1 TIP3 1462 -5.667 -2.818 11.952 1.00 0.00 WT1 ATOM 1681 H2 TIP3 1462 -6.148 -4.030 12.167 1.00 0.00 WT1 ATOM 1682 OH2 TIP3 1463 -4.905 6.664 -8.656 1.00 0.00 WT1 ATOM 1683 H1 TIP3 1463 -4.884 5.764 -9.001 1.00 0.00 WT1 ATOM 1684 H2 TIP3 1463 -5.823 6.676 -8.378 1.00 0.00 WT1 ATOM 1685 OH2 TIP3 1464 -15.228 3.530 1.602 1.00 0.00 WT1 ATOM 1686 H1 TIP3 1464 -15.404 3.787 0.650 1.00 0.00 WT1 ATOM 1687 H2 TIP3 1464 -14.823 4.451 1.802 1.00 0.00 WT1 ATOM 1688 OH2 TIP3 1465 -3.817 13.178 9.417 1.00 0.00 WT1 ATOM 1689 H1 TIP3 1465 -2.900 12.913 9.153 1.00 0.00 WT1 ATOM 1690 H2 TIP3 1465 -3.711 13.174 10.356 1.00 0.00 WT1 ATOM 1691 OH2 TIP3 1467 6.064 12.229 9.868 1.00 0.00 WT1 ATOM 1692 H1 TIP3 1467 6.690 12.992 9.729 1.00 0.00 WT1 ATOM 1693 H2 TIP3 1467 6.627 11.437 9.707 1.00 0.00 WT1 ATOM 1694 OH2 TIP3 1468 10.711 7.427 11.995 1.00 0.00 WT1 ATOM 1695 H1 TIP3 1468 11.423 7.662 11.444 1.00 0.00 WT1 ATOM 1696 H2 TIP3 1468 10.756 8.133 12.632 1.00 0.00 WT1 ATOM 1697 OH2 TIP3 1470 -9.751 -11.475 7.137 1.00 0.00 WT1 ATOM 1698 H1 TIP3 1470 -10.205 -11.119 6.354 1.00 0.00 WT1 ATOM 1699 H2 TIP3 1470 -10.614 -11.674 7.622 1.00 0.00 WT1 ATOM 1700 OH2 TIP3 1472 6.079 0.999 15.292 1.00 0.00 WT1 ATOM 1701 H1 TIP3 1472 5.206 1.321 14.905 1.00 0.00 WT1 ATOM 1702 H2 TIP3 1472 5.993 1.149 16.238 1.00 0.00 WT1 ATOM 1703 OH2 TIP3 1474 -9.029 11.170 -32.326 1.00 0.00 WT1 ATOM 1704 H1 TIP3 1474 -8.622 10.273 -32.439 1.00 0.00 WT1 ATOM 1705 H2 TIP3 1474 -9.634 10.989 -31.599 1.00 0.00 WT1 ATOM 1706 OH2 TIP3 1476 -15.914 -2.279 -7.274 1.00 0.00 WT1 ATOM 1707 H1 TIP3 1476 -15.546 -3.133 -7.598 1.00 0.00 WT1 ATOM 1708 H2 TIP3 1476 -16.327 -1.864 -8.040 1.00 0.00 WT1 ATOM 1709 OH2 TIP3 1479 -5.097 4.195 -9.719 1.00 0.00 WT1 ATOM 1710 H1 TIP3 1479 -5.911 3.622 -9.673 1.00 0.00 WT1 ATOM 1711 H2 TIP3 1479 -5.276 4.520 -10.697 1.00 0.00 WT1 ATOM 1712 OH2 TIP3 1487 -11.456 -1.967 10.298 1.00 0.00 WT1 ATOM 1713 H1 TIP3 1487 -11.628 -2.682 10.908 1.00 0.00 WT1 ATOM 1714 H2 TIP3 1487 -10.600 -2.195 9.873 1.00 0.00 WT1 ATOM 1715 OH2 TIP3 1491 -4.366 -12.629 13.237 1.00 0.00 WT1 ATOM 1716 H1 TIP3 1491 -3.551 -12.239 12.975 1.00 0.00 WT1 ATOM 1717 H2 TIP3 1491 -4.433 -13.423 12.697 1.00 0.00 WT1 ATOM 1718 OH2 TIP3 1493 -11.566 3.312 -29.662 1.00 0.00 WT1 ATOM 1719 H1 TIP3 1493 -11.267 3.903 -28.928 1.00 0.00 WT1 ATOM 1720 H2 TIP3 1493 -10.990 2.548 -29.599 1.00 0.00 WT1 ATOM 1721 OH2 TIP3 1495 13.371 -0.657 -11.474 1.00 0.00 WT1 ATOM 1722 H1 TIP3 1495 13.538 -0.303 -10.588 1.00 0.00 WT1 ATOM 1723 H2 TIP3 1495 12.661 -1.268 -11.186 1.00 0.00 WT1 ATOM 1724 OH2 TIP3 1500 -2.778 9.564 -18.469 1.00 0.00 WT1 ATOM 1725 H1 TIP3 1500 -2.055 9.162 -17.906 1.00 0.00 WT1 ATOM 1726 H2 TIP3 1500 -2.412 10.493 -18.396 1.00 0.00 WT1 ATOM 1727 OH2 TIP3 1501 -12.553 -4.064 -22.847 1.00 0.00 WT1 ATOM 1728 H1 TIP3 1501 -11.799 -4.334 -22.343 1.00 0.00 WT1 ATOM 1729 H2 TIP3 1501 -12.297 -4.406 -23.693 1.00 0.00 WT1 ATOM 1730 OH2 TIP3 1502 -12.509 4.837 -7.013 1.00 0.00 WT1 ATOM 1731 H1 TIP3 1502 -12.635 3.836 -7.209 1.00 0.00 WT1 ATOM 1732 H2 TIP3 1502 -12.671 4.858 -6.041 1.00 0.00 WT1 ATOM 1733 OH2 TIP3 1505 2.153 -2.075 -10.227 1.00 0.00 WT1 ATOM 1734 H1 TIP3 1505 2.105 -2.867 -10.778 1.00 0.00 WT1 ATOM 1735 H2 TIP3 1505 1.391 -2.276 -9.612 1.00 0.00 WT1 ATOM 1736 OH2 TIP3 1506 4.856 0.015 -7.862 1.00 0.00 WT1 ATOM 1737 H1 TIP3 1506 4.965 0.813 -7.263 1.00 0.00 WT1 ATOM 1738 H2 TIP3 1506 4.960 -0.649 -7.108 1.00 0.00 WT1 ATOM 1739 OH2 TIP3 1509 -9.253 -1.924 7.801 1.00 0.00 WT1 ATOM 1740 H1 TIP3 1509 -9.046 -2.216 8.702 1.00 0.00 WT1 ATOM 1741 H2 TIP3 1509 -8.388 -2.026 7.367 1.00 0.00 WT1 ATOM 1742 OH2 TIP3 1512 -7.755 15.105 -30.722 1.00 0.00 WT1 ATOM 1743 H1 TIP3 1512 -8.284 15.420 -31.440 1.00 0.00 WT1 ATOM 1744 H2 TIP3 1512 -8.483 14.468 -30.386 1.00 0.00 WT1 ATOM 1745 OH2 TIP3 1513 11.245 4.186 -2.618 1.00 0.00 WT1 ATOM 1746 H1 TIP3 1513 12.033 4.437 -2.017 1.00 0.00 WT1 ATOM 1747 H2 TIP3 1513 10.673 4.937 -2.369 1.00 0.00 WT1 ATOM 1748 OH2 TIP3 1518 -11.858 8.086 -15.618 1.00 0.00 WT1 ATOM 1749 H1 TIP3 1518 -12.761 7.967 -15.244 1.00 0.00 WT1 ATOM 1750 H2 TIP3 1518 -11.512 8.832 -15.099 1.00 0.00 WT1 ATOM 1751 OH2 TIP3 1519 -7.215 8.965 -23.991 1.00 0.00 WT1 ATOM 1752 H1 TIP3 1519 -7.862 8.628 -23.409 1.00 0.00 WT1 ATOM 1753 H2 TIP3 1519 -6.641 9.497 -23.440 1.00 0.00 WT1 ATOM 1754 OH2 TIP3 1520 -13.867 1.812 -4.847 1.00 0.00 WT1 ATOM 1755 H1 TIP3 1520 -13.644 2.692 -5.052 1.00 0.00 WT1 ATOM 1756 H2 TIP3 1520 -14.487 1.570 -5.573 1.00 0.00 WT1 ATOM 1757 OH2 TIP3 1523 -4.970 7.754 -19.006 1.00 0.00 WT1 ATOM 1758 H1 TIP3 1523 -4.173 8.184 -18.667 1.00 0.00 WT1 ATOM 1759 H2 TIP3 1523 -4.524 7.016 -19.477 1.00 0.00 WT1 ATOM 1760 OH2 TIP3 1530 1.639 5.894 9.974 1.00 0.00 WT1 ATOM 1761 H1 TIP3 1530 1.398 6.782 9.802 1.00 0.00 WT1 ATOM 1762 H2 TIP3 1530 2.581 5.937 9.960 1.00 0.00 WT1 ATOM 1763 OH2 TIP3 1531 3.089 12.184 -24.995 1.00 0.00 WT1 ATOM 1764 H1 TIP3 1531 3.077 11.519 -24.355 1.00 0.00 WT1 ATOM 1765 H2 TIP3 1531 2.645 11.562 -25.620 1.00 0.00 WT1 ATOM 1766 OH2 TIP3 1533 -13.586 -0.629 -3.757 1.00 0.00 WT1 ATOM 1767 H1 TIP3 1533 -13.978 0.061 -4.276 1.00 0.00 WT1 ATOM 1768 H2 TIP3 1533 -13.787 -0.330 -2.845 1.00 0.00 WT1 ATOM 1769 OH2 TIP3 1534 2.162 8.739 -31.327 1.00 0.00 WT1 ATOM 1770 H1 TIP3 1534 3.052 8.615 -31.810 1.00 0.00 WT1 ATOM 1771 H2 TIP3 1534 2.378 8.138 -30.569 1.00 0.00 WT1 ATOM 1772 OH2 TIP3 1537 -1.383 10.950 -5.369 1.00 0.00 WT1 ATOM 1773 H1 TIP3 1537 -1.544 11.681 -4.725 1.00 0.00 WT1 ATOM 1774 H2 TIP3 1537 -0.937 11.448 -6.050 1.00 0.00 WT1 ATOM 1775 OH2 TIP3 1538 -10.674 0.294 -40.661 1.00 0.00 WT1 ATOM 1776 H1 TIP3 1538 -11.297 0.168 -41.432 1.00 0.00 WT1 ATOM 1777 H2 TIP3 1538 -11.134 -0.246 -40.016 1.00 0.00 WT1 ATOM 1778 OH2 TIP3 1540 11.307 9.831 -10.358 1.00 0.00 WT1 ATOM 1779 H1 TIP3 1540 10.506 10.079 -10.879 1.00 0.00 WT1 ATOM 1780 H2 TIP3 1540 11.767 10.648 -10.215 1.00 0.00 WT1 ATOM 1781 OH2 TIP3 1544 6.489 0.619 -28.764 1.00 0.00 WT1 ATOM 1782 H1 TIP3 1544 5.769 1.275 -28.805 1.00 0.00 WT1 ATOM 1783 H2 TIP3 1544 6.210 0.185 -27.971 1.00 0.00 WT1 ATOM 1784 OH2 TIP3 1545 -6.881 6.867 -6.345 1.00 0.00 WT1 ATOM 1785 H1 TIP3 1545 -6.882 5.877 -6.247 1.00 0.00 WT1 ATOM 1786 H2 TIP3 1545 -5.971 7.068 -6.145 1.00 0.00 WT1 ATOM 1787 OH2 TIP3 1547 7.504 4.171 -2.813 1.00 0.00 WT1 ATOM 1788 H1 TIP3 1547 8.207 4.861 -2.825 1.00 0.00 WT1 ATOM 1789 H2 TIP3 1547 6.866 4.437 -2.126 1.00 0.00 WT1 ATOM 1790 OH2 TIP3 1548 -11.821 4.069 -15.899 1.00 0.00 WT1 ATOM 1791 H1 TIP3 1548 -12.099 3.174 -16.229 1.00 0.00 WT1 ATOM 1792 H2 TIP3 1548 -12.458 4.182 -15.142 1.00 0.00 WT1 ATOM 1793 OH2 TIP3 1559 -3.664 14.330 -14.709 1.00 0.00 WT1 ATOM 1794 H1 TIP3 1559 -3.693 14.708 -13.836 1.00 0.00 WT1 ATOM 1795 H2 TIP3 1559 -2.955 14.976 -15.018 1.00 0.00 WT1 ATOM 1796 OH2 TIP3 1560 -8.183 15.037 -17.991 1.00 0.00 WT1 ATOM 1797 H1 TIP3 1560 -8.814 15.605 -18.381 1.00 0.00 WT1 ATOM 1798 H2 TIP3 1560 -7.389 15.452 -18.312 1.00 0.00 WT1 ATOM 1799 OH2 TIP3 1582 -0.134 13.403 -25.496 1.00 0.00 WT1 ATOM 1800 H1 TIP3 1582 0.481 13.983 -25.036 1.00 0.00 WT1 ATOM 1801 H2 TIP3 1582 0.210 13.275 -26.355 1.00 0.00 WT1 ATOM 1802 OH2 TIP3 1583 7.135 -7.254 -26.858 1.00 0.00 WT1 ATOM 1803 H1 TIP3 1583 6.353 -6.642 -26.917 1.00 0.00 WT1 ATOM 1804 H2 TIP3 1583 6.694 -8.130 -26.956 1.00 0.00 WT1 ATOM 1805 OH2 TIP3 1587 -5.918 12.014 -13.406 1.00 0.00 WT1 ATOM 1806 H1 TIP3 1587 -6.088 12.841 -13.818 1.00 0.00 WT1 ATOM 1807 H2 TIP3 1587 -5.260 11.657 -14.052 1.00 0.00 WT1 ATOM 1808 OH2 TIP3 1591 3.305 13.250 -3.440 1.00 0.00 WT1 ATOM 1809 H1 TIP3 1591 4.288 13.337 -3.440 1.00 0.00 WT1 ATOM 1810 H2 TIP3 1591 3.311 12.296 -3.175 1.00 0.00 WT1 ATOM 1811 OH2 TIP3 1593 1.994 7.772 0.972 1.00 0.00 WT1 ATOM 1812 H1 TIP3 1593 1.033 7.591 0.855 1.00 0.00 WT1 ATOM 1813 H2 TIP3 1593 1.887 7.810 1.963 1.00 0.00 WT1 ATOM 1814 OH2 TIP3 1595 -4.916 7.709 10.214 1.00 0.00 WT1 ATOM 1815 H1 TIP3 1595 -4.964 8.620 10.741 1.00 0.00 WT1 ATOM 1816 H2 TIP3 1595 -4.054 7.361 10.509 1.00 0.00 WT1 ATOM 1817 OH2 TIP3 1601 -4.253 15.283 -21.778 1.00 0.00 WT1 ATOM 1818 H1 TIP3 1601 -3.609 14.456 -21.637 1.00 0.00 WT1 ATOM 1819 H2 TIP3 1601 -3.788 15.862 -22.317 1.00 0.00 WT1 ATOM 1820 OH2 TIP3 1603 -16.439 5.309 -20.430 1.00 0.00 WT1 ATOM 1821 H1 TIP3 1603 -15.884 5.641 -19.734 1.00 0.00 WT1 ATOM 1822 H2 TIP3 1603 -16.425 4.322 -20.115 1.00 0.00 WT1 ATOM 1823 OH2 TIP3 1609 1.375 13.562 -1.582 1.00 0.00 WT1 ATOM 1824 H1 TIP3 1609 1.859 13.402 -2.393 1.00 0.00 WT1 ATOM 1825 H2 TIP3 1609 0.691 14.218 -1.891 1.00 0.00 WT1 ATOM 1826 OH2 TIP3 1611 -10.500 -3.840 1.798 1.00 0.00 WT1 ATOM 1827 H1 TIP3 1611 -11.191 -3.277 1.368 1.00 0.00 WT1 ATOM 1828 H2 TIP3 1611 -9.915 -4.005 1.020 1.00 0.00 WT1 ATOM 1829 OH2 TIP3 1670 -16.521 -5.236 -25.210 1.00 0.00 WT1 ATOM 1830 H1 TIP3 1670 -17.500 -5.471 -25.238 1.00 0.00 WT1 ATOM 1831 H2 TIP3 1670 -16.171 -5.349 -26.102 1.00 0.00 WT1 ATOM 1832 OH2 TIP3 1714 -9.492 2.800 4.300 1.00 0.00 WT1 ATOM 1833 H1 TIP3 1714 -10.231 2.945 3.707 1.00 0.00 WT1 ATOM 1834 H2 TIP3 1714 -9.989 2.564 5.074 1.00 0.00 WT1 ATOM 1835 OH2 TIP3 1715 4.167 -13.620 -19.857 1.00 0.00 WT1 ATOM 1836 H1 TIP3 1715 3.735 -13.528 -20.673 1.00 0.00 WT1 ATOM 1837 H2 TIP3 1715 3.369 -13.603 -19.295 1.00 0.00 WT1 ATOM 1838 OH2 TIP3 1718 -14.685 -1.525 -18.148 1.00 0.00 WT1 ATOM 1839 H1 TIP3 1718 -14.941 -1.725 -19.075 1.00 0.00 WT1 ATOM 1840 H2 TIP3 1718 -15.480 -1.794 -17.663 1.00 0.00 WT1 ATOM 1841 OH2 TIP3 1722 -9.699 -8.290 1.542 1.00 0.00 WT1 ATOM 1842 H1 TIP3 1722 -10.503 -8.068 0.995 1.00 0.00 WT1 ATOM 1843 H2 TIP3 1722 -9.033 -8.321 0.861 1.00 0.00 WT1 ATOM 1844 OH2 TIP3 1727 0.721 -3.545 -19.724 1.00 0.00 WT1 ATOM 1845 H1 TIP3 1727 0.633 -4.359 -20.312 1.00 0.00 WT1 ATOM 1846 H2 TIP3 1727 1.678 -3.445 -19.578 1.00 0.00 WT1 ATOM 1847 OH2 TIP3 1735 6.916 -3.877 -8.458 1.00 0.00 WT1 ATOM 1848 H1 TIP3 1735 7.232 -4.432 -7.781 1.00 0.00 WT1 ATOM 1849 H2 TIP3 1735 7.525 -4.216 -9.188 1.00 0.00 WT1 ATOM 1850 OH2 TIP3 1736 5.517 -9.287 -3.155 1.00 0.00 WT1 ATOM 1851 H1 TIP3 1736 5.402 -10.183 -2.790 1.00 0.00 WT1 ATOM 1852 H2 TIP3 1736 6.486 -9.165 -3.027 1.00 0.00 WT1 ATOM 1853 OH2 TIP3 1746 -8.456 8.475 -32.602 1.00 0.00 WT1 ATOM 1854 H1 TIP3 1746 -8.387 7.718 -32.021 1.00 0.00 WT1 ATOM 1855 H2 TIP3 1746 -9.076 8.183 -33.270 1.00 0.00 WT1 ATOM 1856 OH2 TIP3 1752 -12.878 -4.397 -28.910 1.00 0.00 WT1 ATOM 1857 H1 TIP3 1752 -12.794 -3.880 -29.701 1.00 0.00 WT1 ATOM 1858 H2 TIP3 1752 -12.540 -3.704 -28.345 1.00 0.00 WT1 ATOM 1859 OH2 TIP3 1755 -10.546 -4.981 -19.660 1.00 0.00 WT1 ATOM 1860 H1 TIP3 1755 -10.616 -5.858 -19.224 1.00 0.00 WT1 ATOM 1861 H2 TIP3 1755 -10.995 -4.361 -19.055 1.00 0.00 WT1 ATOM 1862 OH2 TIP3 1757 -8.093 -5.111 -24.433 1.00 0.00 WT1 ATOM 1863 H1 TIP3 1757 -8.908 -5.141 -23.878 1.00 0.00 WT1 ATOM 1864 H2 TIP3 1757 -8.151 -5.949 -24.861 1.00 0.00 WT1 ATOM 1865 OH2 TIP3 1766 1.189 0.417 -25.493 1.00 0.00 WT1 ATOM 1866 H1 TIP3 1766 0.923 0.266 -24.603 1.00 0.00 WT1 ATOM 1867 H2 TIP3 1766 2.100 0.843 -25.347 1.00 0.00 WT1 ATOM 1868 OH2 TIP3 1776 -3.084 -10.420 -14.804 1.00 0.00 WT1 ATOM 1869 H1 TIP3 1776 -3.218 -10.179 -15.697 1.00 0.00 WT1 ATOM 1870 H2 TIP3 1776 -2.144 -10.730 -14.761 1.00 0.00 WT1 ATOM 1871 OH2 TIP3 1790 -7.795 -9.206 -23.283 1.00 0.00 WT1 ATOM 1872 H1 TIP3 1790 -7.903 -8.547 -24.013 1.00 0.00 WT1 ATOM 1873 H2 TIP3 1790 -7.834 -8.578 -22.597 1.00 0.00 WT1 ATOM 1874 OH2 TIP3 1800 6.119 -13.547 -4.537 1.00 0.00 WT1 ATOM 1875 H1 TIP3 1800 6.347 -13.462 -5.477 1.00 0.00 WT1 ATOM 1876 H2 TIP3 1800 6.771 -12.990 -4.075 1.00 0.00 WT1 ATOM 1877 OH2 TIP3 1802 -3.474 -18.981 10.277 1.00 0.00 WT1 ATOM 1878 H1 TIP3 1802 -4.036 -19.374 9.586 1.00 0.00 WT1 ATOM 1879 H2 TIP3 1802 -2.567 -19.109 9.853 1.00 0.00 WT1 ATOM 1880 OH2 TIP3 1804 -11.717 5.864 3.418 1.00 0.00 WT1 ATOM 1881 H1 TIP3 1804 -12.173 5.679 4.268 1.00 0.00 WT1 ATOM 1882 H2 TIP3 1804 -11.026 6.463 3.751 1.00 0.00 WT1 ATOM 1883 OH2 TIP3 1808 -1.054 -8.768 -30.269 1.00 0.00 WT1 ATOM 1884 H1 TIP3 1808 -0.922 -8.320 -31.170 1.00 0.00 WT1 ATOM 1885 H2 TIP3 1808 -1.911 -8.321 -30.018 1.00 0.00 WT1 ATOM 1886 OH2 TIP3 1812 6.796 -7.433 -22.081 1.00 0.00 WT1 ATOM 1887 H1 TIP3 1812 7.246 -7.019 -21.315 1.00 0.00 WT1 ATOM 1888 H2 TIP3 1812 7.532 -7.365 -22.690 1.00 0.00 WT1 ATOM 1889 OH2 TIP3 1814 -11.159 4.412 -32.121 1.00 0.00 WT1 ATOM 1890 H1 TIP3 1814 -11.477 4.069 -31.281 1.00 0.00 WT1 ATOM 1891 H2 TIP3 1814 -11.805 5.107 -32.173 1.00 0.00 WT1 ATOM 1892 OH2 TIP3 1815 4.168 -6.610 -21.881 1.00 0.00 WT1 ATOM 1893 H1 TIP3 1815 4.925 -7.057 -22.297 1.00 0.00 WT1 ATOM 1894 H2 TIP3 1815 3.497 -6.594 -22.606 1.00 0.00 WT1 ATOM 1895 OH2 TIP3 1816 -18.446 2.987 -25.696 1.00 0.00 WT1 ATOM 1896 H1 TIP3 1816 -18.271 2.879 -24.737 1.00 0.00 WT1 ATOM 1897 H2 TIP3 1816 -19.378 2.772 -25.807 1.00 0.00 WT1 ATOM 1898 OH2 TIP3 1817 -0.949 -2.685 -11.631 1.00 0.00 WT1 ATOM 1899 H1 TIP3 1817 -0.877 -2.141 -10.826 1.00 0.00 WT1 ATOM 1900 H2 TIP3 1817 -1.295 -3.573 -11.222 1.00 0.00 WT1 ATOM 1901 OH2 TIP3 1819 -15.989 -3.103 12.692 1.00 0.00 WT1 ATOM 1902 H1 TIP3 1819 -15.179 -2.607 12.525 1.00 0.00 WT1 ATOM 1903 H2 TIP3 1819 -16.610 -2.364 12.598 1.00 0.00 WT1 ATOM 1904 OH2 TIP3 1827 7.632 -6.379 4.877 1.00 0.00 WT1 ATOM 1905 H1 TIP3 1827 8.447 -6.830 4.496 1.00 0.00 WT1 ATOM 1906 H2 TIP3 1827 7.629 -6.651 5.786 1.00 0.00 WT1 ATOM 1907 OH2 TIP3 1828 -1.836 -12.943 9.196 1.00 0.00 WT1 ATOM 1908 H1 TIP3 1828 -1.172 -13.282 8.608 1.00 0.00 WT1 ATOM 1909 H2 TIP3 1828 -1.431 -13.040 10.059 1.00 0.00 WT1 ATOM 1910 OH2 TIP3 1832 -15.568 -4.343 -9.456 1.00 0.00 WT1 ATOM 1911 H1 TIP3 1832 -15.490 -4.035 -10.377 1.00 0.00 WT1 ATOM 1912 H2 TIP3 1832 -15.471 -5.266 -9.621 1.00 0.00 WT1 ATOM 1913 OH2 TIP3 1833 2.244 -9.385 -17.692 1.00 0.00 WT1 ATOM 1914 H1 TIP3 1833 1.408 -9.742 -18.090 1.00 0.00 WT1 ATOM 1915 H2 TIP3 1833 2.563 -8.815 -18.454 1.00 0.00 WT1 ATOM 1916 OH2 TIP3 1835 -13.027 7.917 -24.948 1.00 0.00 WT1 ATOM 1917 H1 TIP3 1835 -12.761 7.059 -24.578 1.00 0.00 WT1 ATOM 1918 H2 TIP3 1835 -13.920 8.050 -24.626 1.00 0.00 WT1 ATOM 1919 OH2 TIP3 1836 4.965 -8.260 -30.153 1.00 0.00 WT1 ATOM 1920 H1 TIP3 1836 5.364 -7.443 -30.422 1.00 0.00 WT1 ATOM 1921 H2 TIP3 1836 4.541 -7.874 -29.373 1.00 0.00 WT1 ATOM 1922 OH2 TIP3 1837 -5.484 8.043 -31.818 1.00 0.00 WT1 ATOM 1923 H1 TIP3 1837 -5.783 7.765 -30.935 1.00 0.00 WT1 ATOM 1924 H2 TIP3 1837 -6.174 8.696 -32.120 1.00 0.00 WT1 ATOM 1925 OH2 TIP3 1838 2.880 -7.943 -12.025 1.00 0.00 WT1 ATOM 1926 H1 TIP3 1838 2.553 -7.427 -11.219 1.00 0.00 WT1 ATOM 1927 H2 TIP3 1838 2.146 -8.612 -12.174 1.00 0.00 WT1 ATOM 1928 OH2 TIP3 1839 -1.694 -6.380 -12.571 1.00 0.00 WT1 ATOM 1929 H1 TIP3 1839 -0.935 -6.110 -13.079 1.00 0.00 WT1 ATOM 1930 H2 TIP3 1839 -2.408 -6.289 -13.217 1.00 0.00 WT1 ATOM 1931 OH2 TIP3 1840 1.850 -13.213 -25.974 1.00 0.00 WT1 ATOM 1932 H1 TIP3 1840 0.920 -13.091 -26.339 1.00 0.00 WT1 ATOM 1933 H2 TIP3 1840 2.373 -13.168 -26.740 1.00 0.00 WT1 ATOM 1934 OH2 TIP3 1842 -14.293 -10.108 -7.233 1.00 0.00 WT1 ATOM 1935 H1 TIP3 1842 -15.236 -9.802 -7.031 1.00 0.00 WT1 ATOM 1936 H2 TIP3 1842 -13.791 -9.780 -6.454 1.00 0.00 WT1 ATOM 1937 OH2 TIP3 1843 12.544 -1.133 -9.009 1.00 0.00 WT1 ATOM 1938 H1 TIP3 1843 12.446 -0.566 -8.197 1.00 0.00 WT1 ATOM 1939 H2 TIP3 1843 11.689 -1.602 -9.090 1.00 0.00 WT1 ATOM 1940 OH2 TIP3 1844 -2.896 -12.773 -20.790 1.00 0.00 WT1 ATOM 1941 H1 TIP3 1844 -2.834 -13.015 -21.769 1.00 0.00 WT1 ATOM 1942 H2 TIP3 1844 -3.489 -13.500 -20.527 1.00 0.00 WT1 ATOM 1943 OH2 TIP3 1845 -6.709 -1.722 5.724 1.00 0.00 WT1 ATOM 1944 H1 TIP3 1845 -6.901 -0.753 5.766 1.00 0.00 WT1 ATOM 1945 H2 TIP3 1845 -5.823 -1.742 6.087 1.00 0.00 WT1 ATOM 1946 OH2 TIP3 1847 0.377 12.856 -34.312 1.00 0.00 WT1 ATOM 1947 H1 TIP3 1847 0.115 12.105 -33.705 1.00 0.00 WT1 ATOM 1948 H2 TIP3 1847 -0.507 12.988 -34.747 1.00 0.00 WT1 ATOM 1949 OH2 TIP3 1848 1.816 6.851 -3.977 1.00 0.00 WT1 ATOM 1950 H1 TIP3 1848 2.637 7.077 -4.474 1.00 0.00 WT1 ATOM 1951 H2 TIP3 1848 1.387 7.685 -4.189 1.00 0.00 WT1 ATOM 1952 OH2 TIP3 1850 -3.101 12.962 -20.859 1.00 0.00 WT1 ATOM 1953 H1 TIP3 1850 -3.814 12.522 -20.385 1.00 0.00 WT1 ATOM 1954 H2 TIP3 1850 -2.409 12.537 -20.349 1.00 0.00 WT1 ATOM 1955 OH2 TIP3 1851 9.854 6.358 -29.744 1.00 0.00 WT1 ATOM 1956 H1 TIP3 1851 10.058 7.189 -29.270 1.00 0.00 WT1 ATOM 1957 H2 TIP3 1851 9.222 5.855 -29.141 1.00 0.00 WT1 ATOM 1958 OH2 TIP3 1852 -13.692 5.647 -23.465 1.00 0.00 WT1 ATOM 1959 H1 TIP3 1852 -13.220 5.141 -22.815 1.00 0.00 WT1 ATOM 1960 H2 TIP3 1852 -14.469 5.128 -23.642 1.00 0.00 WT1 ATOM 1961 OH2 TIP3 1858 -17.804 1.704 -11.327 1.00 0.00 WT1 ATOM 1962 H1 TIP3 1858 -17.564 1.612 -12.258 1.00 0.00 WT1 ATOM 1963 H2 TIP3 1858 -18.720 1.906 -11.431 1.00 0.00 WT1 ATOM 1964 OH2 TIP3 1859 -10.457 -12.009 -12.427 1.00 0.00 WT1 ATOM 1965 H1 TIP3 1859 -10.586 -11.602 -13.331 1.00 0.00 WT1 ATOM 1966 H2 TIP3 1859 -10.674 -11.266 -11.819 1.00 0.00 WT1 ATOM 1967 OH2 TIP3 1860 -8.097 -7.278 -21.307 1.00 0.00 WT1 ATOM 1968 H1 TIP3 1860 -7.475 -6.542 -21.298 1.00 0.00 WT1 ATOM 1969 H2 TIP3 1860 -8.184 -7.510 -20.373 1.00 0.00 WT1 ATOM 1970 OH2 TIP3 1863 -10.102 -11.117 -8.200 1.00 0.00 WT1 ATOM 1971 H1 TIP3 1863 -10.006 -11.928 -7.703 1.00 0.00 WT1 ATOM 1972 H2 TIP3 1863 -9.182 -10.944 -8.429 1.00 0.00 WT1 ATOM 1973 OH2 TIP3 1864 -11.677 5.806 -18.149 1.00 0.00 WT1 ATOM 1974 H1 TIP3 1864 -10.837 6.285 -18.044 1.00 0.00 WT1 ATOM 1975 H2 TIP3 1864 -11.554 5.252 -17.306 1.00 0.00 WT1 ATOM 1976 OH2 TIP3 1869 -12.831 8.175 15.555 1.00 0.00 WT1 ATOM 1977 H1 TIP3 1869 -12.606 7.915 16.493 1.00 0.00 WT1 ATOM 1978 H2 TIP3 1869 -12.297 8.979 15.599 1.00 0.00 WT1 ATOM 1979 OH2 TIP3 1870 -7.861 -10.734 -33.382 1.00 0.00 WT1 ATOM 1980 H1 TIP3 1870 -7.843 -11.290 -34.210 1.00 0.00 WT1 ATOM 1981 H2 TIP3 1870 -8.549 -11.075 -32.856 1.00 0.00 WT1 ATOM 1982 OH2 TIP3 1875 -10.747 3.487 -36.301 1.00 0.00 WT1 ATOM 1983 H1 TIP3 1875 -11.544 4.052 -36.292 1.00 0.00 WT1 ATOM 1984 H2 TIP3 1875 -10.355 3.709 -37.209 1.00 0.00 WT1 ATOM 1985 OH2 TIP3 1876 -14.486 8.927 -18.018 1.00 0.00 WT1 ATOM 1986 H1 TIP3 1876 -14.737 9.665 -18.636 1.00 0.00 WT1 ATOM 1987 H2 TIP3 1876 -13.496 8.872 -18.313 1.00 0.00 WT1 ATOM 1988 OH2 TIP3 1877 -2.306 12.879 -23.396 1.00 0.00 WT1 ATOM 1989 H1 TIP3 1877 -1.519 12.292 -23.619 1.00 0.00 WT1 ATOM 1990 H2 TIP3 1877 -2.502 12.685 -22.482 1.00 0.00 WT1 ATOM 1991 OH2 TIP3 1879 -3.631 13.869 -9.154 1.00 0.00 WT1 ATOM 1992 H1 TIP3 1879 -4.335 13.898 -8.508 1.00 0.00 WT1 ATOM 1993 H2 TIP3 1879 -3.990 13.188 -9.741 1.00 0.00 WT1 ATOM 1994 OH2 TIP3 1880 -11.193 2.602 -12.150 1.00 0.00 WT1 ATOM 1995 H1 TIP3 1880 -11.981 2.829 -12.696 1.00 0.00 WT1 ATOM 1996 H2 TIP3 1880 -11.528 1.715 -11.907 1.00 0.00 WT1 ATOM 1997 OH2 TIP3 1882 -10.165 -7.094 -1.047 1.00 0.00 WT1 ATOM 1998 H1 TIP3 1882 -9.989 -7.168 -1.984 1.00 0.00 WT1 ATOM 1999 H2 TIP3 1882 -11.022 -6.677 -0.945 1.00 0.00 WT1 ATOM 2000 OH2 TIP3 1883 -7.422 -8.099 -5.364 1.00 0.00 WT1 ATOM 2001 H1 TIP3 1883 -7.481 -9.043 -5.217 1.00 0.00 WT1 ATOM 2002 H2 TIP3 1883 -6.632 -8.087 -5.871 1.00 0.00 WT1 ATOM 2003 OH2 TIP3 1884 4.005 7.304 -5.576 1.00 0.00 WT1 ATOM 2004 H1 TIP3 1884 4.583 7.953 -6.075 1.00 0.00 WT1 ATOM 2005 H2 TIP3 1884 3.821 6.597 -6.265 1.00 0.00 WT1 ATOM 2006 OH2 TIP3 1886 -7.614 2.762 9.388 1.00 0.00 WT1 ATOM 2007 H1 TIP3 1886 -6.902 3.382 9.698 1.00 0.00 WT1 ATOM 2008 H2 TIP3 1886 -7.273 1.906 9.789 1.00 0.00 WT1 ATOM 2009 OH2 TIP3 1888 5.234 -12.838 -12.555 1.00 0.00 WT1 ATOM 2010 H1 TIP3 1888 4.930 -11.921 -12.442 1.00 0.00 WT1 ATOM 2011 H2 TIP3 1888 4.693 -13.167 -13.353 1.00 0.00 WT1 ATOM 2012 OH2 TIP3 1890 -9.952 -2.748 13.889 1.00 0.00 WT1 ATOM 2013 H1 TIP3 1890 -9.904 -2.094 14.603 1.00 0.00 WT1 ATOM 2014 H2 TIP3 1890 -9.670 -3.561 14.468 1.00 0.00 WT1 ATOM 2015 OH2 TIP3 1891 -11.295 10.449 -14.075 1.00 0.00 WT1 ATOM 2016 H1 TIP3 1891 -10.446 10.226 -14.412 1.00 0.00 WT1 ATOM 2017 H2 TIP3 1891 -11.124 11.426 -13.907 1.00 0.00 WT1 ATOM 2018 OH2 TIP3 1894 -4.588 -7.464 -27.789 1.00 0.00 WT1 ATOM 2019 H1 TIP3 1894 -4.423 -6.554 -27.515 1.00 0.00 WT1 ATOM 2020 H2 TIP3 1894 -3.997 -7.512 -28.530 1.00 0.00 WT1 ATOM 2021 OH2 TIP3 1895 -8.167 -4.240 -27.021 1.00 0.00 WT1 ATOM 2022 H1 TIP3 1895 -7.281 -4.276 -27.371 1.00 0.00 WT1 ATOM 2023 H2 TIP3 1895 -7.995 -4.536 -26.062 1.00 0.00 WT1 ATOM 2024 OH2 TIP3 1897 -16.561 -0.010 -27.734 1.00 0.00 WT1 ATOM 2025 H1 TIP3 1897 -16.129 -0.512 -28.462 1.00 0.00 WT1 ATOM 2026 H2 TIP3 1897 -17.023 0.700 -28.244 1.00 0.00 WT1 ATOM 2027 OH2 TIP3 1898 -8.129 10.301 -16.993 1.00 0.00 WT1 ATOM 2028 H1 TIP3 1898 -8.701 11.077 -17.195 1.00 0.00 WT1 ATOM 2029 H2 TIP3 1898 -8.180 10.310 -16.057 1.00 0.00 WT1 ATOM 2030 OH2 TIP3 1900 -14.115 -8.051 -21.760 1.00 0.00 WT1 ATOM 2031 H1 TIP3 1900 -14.495 -7.365 -21.175 1.00 0.00 WT1 ATOM 2032 H2 TIP3 1900 -14.080 -7.536 -22.603 1.00 0.00 WT1 ATOM 2033 OH2 TIP3 1902 -14.751 4.054 -10.390 1.00 0.00 WT1 ATOM 2034 H1 TIP3 1902 -14.664 3.610 -11.289 1.00 0.00 WT1 ATOM 2035 H2 TIP3 1902 -14.528 4.975 -10.503 1.00 0.00 WT1 ATOM 2036 OH2 TIP3 1904 -2.599 -18.249 6.561 1.00 0.00 WT1 ATOM 2037 H1 TIP3 1904 -3.307 -18.762 6.907 1.00 0.00 WT1 ATOM 2038 H2 TIP3 1904 -2.973 -17.985 5.712 1.00 0.00 WT1 ATOM 2039 OH2 TIP3 1906 -5.788 -13.273 -10.394 1.00 0.00 WT1 ATOM 2040 H1 TIP3 1906 -6.742 -13.450 -10.672 1.00 0.00 WT1 ATOM 2041 H2 TIP3 1906 -5.531 -14.160 -10.002 1.00 0.00 WT1 ATOM 2042 OH2 TIP3 1909 7.957 1.892 -12.012 1.00 0.00 WT1 ATOM 2043 H1 TIP3 1909 7.425 1.618 -11.168 1.00 0.00 WT1 ATOM 2044 H2 TIP3 1909 7.441 2.645 -12.292 1.00 0.00 WT1 ATOM 2045 OH2 TIP3 1911 -12.555 11.420 -24.309 1.00 0.00 WT1 ATOM 2046 H1 TIP3 1911 -11.738 11.179 -23.900 1.00 0.00 WT1 ATOM 2047 H2 TIP3 1911 -12.274 12.175 -24.856 1.00 0.00 WT1 ATOM 2048 OH2 TIP3 1912 -10.373 0.931 -29.079 1.00 0.00 WT1 ATOM 2049 H1 TIP3 1912 -9.729 0.947 -29.745 1.00 0.00 WT1 ATOM 2050 H2 TIP3 1912 -11.030 0.304 -29.475 1.00 0.00 WT1 ATOM 2051 OH2 TIP3 1913 5.678 13.914 -33.620 1.00 0.00 WT1 ATOM 2052 H1 TIP3 1913 5.923 13.069 -33.155 1.00 0.00 WT1 ATOM 2053 H2 TIP3 1913 4.874 13.599 -34.066 1.00 0.00 WT1 ATOM 2054 OH2 TIP3 1915 -5.163 11.678 -35.412 1.00 0.00 WT1 ATOM 2055 H1 TIP3 1915 -5.829 11.953 -34.756 1.00 0.00 WT1 ATOM 2056 H2 TIP3 1915 -5.508 12.064 -36.221 1.00 0.00 WT1 ATOM 2057 OH2 TIP3 1921 -1.044 4.485 -6.069 1.00 0.00 WT1 ATOM 2058 H1 TIP3 1921 -0.802 5.350 -6.424 1.00 0.00 WT1 ATOM 2059 H2 TIP3 1921 -1.653 4.122 -6.721 1.00 0.00 WT1 ATOM 2060 OH2 TIP3 1923 -1.803 6.427 -28.447 1.00 0.00 WT1 ATOM 2061 H1 TIP3 1923 -2.635 6.016 -28.714 1.00 0.00 WT1 ATOM 2062 H2 TIP3 1923 -2.139 6.983 -27.692 1.00 0.00 WT1 ATOM 2063 OH2 TIP3 1924 11.202 15.561 -12.565 1.00 0.00 WT1 ATOM 2064 H1 TIP3 1924 11.893 15.783 -11.912 1.00 0.00 WT1 ATOM 2065 H2 TIP3 1924 10.901 14.652 -12.300 1.00 0.00 WT1 ATOM 2066 OH2 TIP3 1925 -17.182 0.483 -16.502 1.00 0.00 WT1 ATOM 2067 H1 TIP3 1925 -17.833 0.615 -17.210 1.00 0.00 WT1 ATOM 2068 H2 TIP3 1925 -16.343 0.640 -16.993 1.00 0.00 WT1 ATOM 2069 OH2 TIP3 1926 9.247 6.241 -1.948 1.00 0.00 WT1 ATOM 2070 H1 TIP3 1926 9.136 7.172 -1.821 1.00 0.00 WT1 ATOM 2071 H2 TIP3 1926 9.085 5.953 -1.027 1.00 0.00 WT1 ATOM 2072 OH2 TIP3 1927 11.344 2.999 -5.550 1.00 0.00 WT1 ATOM 2073 H1 TIP3 1927 11.315 3.759 -4.962 1.00 0.00 WT1 ATOM 2074 H2 TIP3 1927 11.338 3.451 -6.395 1.00 0.00 WT1 ATOM 2075 OH2 TIP3 1929 -0.148 -12.150 11.361 1.00 0.00 WT1 ATOM 2076 H1 TIP3 1929 0.157 -12.982 11.689 1.00 0.00 WT1 ATOM 2077 H2 TIP3 1929 0.643 -11.919 10.780 1.00 0.00 WT1 ATOM 2078 OH2 TIP3 1932 -5.103 -12.948 9.797 1.00 0.00 WT1 ATOM 2079 H1 TIP3 1932 -4.366 -13.509 9.867 1.00 0.00 WT1 ATOM 2080 H2 TIP3 1932 -5.557 -13.387 9.063 1.00 0.00 WT1 ATOM 2081 OH2 TIP3 1934 1.193 10.022 -34.748 1.00 0.00 WT1 ATOM 2082 H1 TIP3 1934 0.589 9.828 -34.010 1.00 0.00 WT1 ATOM 2083 H2 TIP3 1934 1.163 10.993 -34.816 1.00 0.00 WT1 ATOM 2084 OH2 TIP3 1937 1.411 6.596 -12.497 1.00 0.00 WT1 ATOM 2085 H1 TIP3 1937 1.454 7.428 -13.024 1.00 0.00 WT1 ATOM 2086 H2 TIP3 1937 2.337 6.504 -12.201 1.00 0.00 WT1 ATOM 2087 OH2 TIP3 1943 3.175 1.293 1.143 1.00 0.00 WT1 ATOM 2088 H1 TIP3 1943 3.558 2.178 0.799 1.00 0.00 WT1 ATOM 2089 H2 TIP3 1943 2.335 1.573 1.524 1.00 0.00 WT1 ATOM 2090 OH2 TIP3 1948 -5.684 -9.826 -14.562 1.00 0.00 WT1 ATOM 2091 H1 TIP3 1948 -5.792 -10.417 -15.340 1.00 0.00 WT1 ATOM 2092 H2 TIP3 1948 -4.754 -9.831 -14.511 1.00 0.00 WT1 ATOM 2093 OH2 TIP3 1949 -14.807 -5.563 -27.424 1.00 0.00 WT1 ATOM 2094 H1 TIP3 1949 -14.837 -6.350 -27.985 1.00 0.00 WT1 ATOM 2095 H2 TIP3 1949 -14.132 -5.018 -27.911 1.00 0.00 WT1 ATOM 2096 OH2 TIP3 1950 -7.397 10.697 -28.074 1.00 0.00 WT1 ATOM 2097 H1 TIP3 1950 -7.338 10.785 -27.093 1.00 0.00 WT1 ATOM 2098 H2 TIP3 1950 -7.299 11.655 -28.230 1.00 0.00 WT1 ATOM 2099 OH2 TIP3 1952 -1.798 -5.171 -33.715 1.00 0.00 WT1 ATOM 2100 H1 TIP3 1952 -2.046 -4.213 -33.608 1.00 0.00 WT1 ATOM 2101 H2 TIP3 1952 -1.457 -5.070 -34.619 1.00 0.00 WT1 ATOM 2102 OH2 TIP3 1953 -2.851 6.495 -39.875 1.00 0.00 WT1 ATOM 2103 H1 TIP3 1953 -2.423 7.360 -40.123 1.00 0.00 WT1 ATOM 2104 H2 TIP3 1953 -2.995 6.807 -38.965 1.00 0.00 WT1 ATOM 2105 OH2 TIP3 1954 0.832 16.615 -27.515 1.00 0.00 WT1 ATOM 2106 H1 TIP3 1954 1.100 17.467 -27.967 1.00 0.00 WT1 ATOM 2107 H2 TIP3 1954 1.722 16.216 -27.222 1.00 0.00 WT1 ATOM 2108 OH2 TIP3 1955 -6.911 5.109 -31.239 1.00 0.00 WT1 ATOM 2109 H1 TIP3 1955 -7.789 5.482 -31.117 1.00 0.00 WT1 ATOM 2110 H2 TIP3 1955 -6.432 5.339 -30.466 1.00 0.00 WT1 ATOM 2111 OH2 TIP3 1958 1.913 4.427 17.726 1.00 0.00 WT1 ATOM 2112 H1 TIP3 1958 1.731 4.129 18.610 1.00 0.00 WT1 ATOM 2113 H2 TIP3 1958 2.896 4.205 17.796 1.00 0.00 WT1 ATOM 2114 OH2 TIP3 1962 3.208 6.997 -29.566 1.00 0.00 WT1 ATOM 2115 H1 TIP3 1962 3.772 6.231 -29.711 1.00 0.00 WT1 ATOM 2116 H2 TIP3 1962 3.677 7.294 -28.712 1.00 0.00 WT1 ATOM 2117 OH2 TIP3 1965 -14.653 -7.383 -9.652 1.00 0.00 WT1 ATOM 2118 H1 TIP3 1965 -14.581 -8.310 -9.497 1.00 0.00 WT1 ATOM 2119 H2 TIP3 1965 -13.894 -7.054 -9.230 1.00 0.00 WT1 ATOM 2120 OH2 TIP3 1967 -12.101 -3.768 -13.115 1.00 0.00 WT1 ATOM 2121 H1 TIP3 1967 -12.190 -3.173 -12.369 1.00 0.00 WT1 ATOM 2122 H2 TIP3 1967 -11.824 -4.565 -12.695 1.00 0.00 WT1 ATOM 2123 OH2 TIP3 1970 3.600 5.546 -1.941 1.00 0.00 WT1 ATOM 2124 H1 TIP3 1970 2.883 5.911 -2.546 1.00 0.00 WT1 ATOM 2125 H2 TIP3 1970 4.452 5.691 -2.392 1.00 0.00 WT1 ATOM 2126 OH2 TIP3 1973 14.492 4.705 19.291 1.00 0.00 WT1 ATOM 2127 H1 TIP3 1973 15.209 4.752 19.908 1.00 0.00 WT1 ATOM 2128 H2 TIP3 1973 14.768 4.588 18.403 1.00 0.00 WT1 ATOM 2129 OH2 TIP3 1974 0.049 11.995 -7.384 1.00 0.00 WT1 ATOM 2130 H1 TIP3 1974 -0.080 12.736 -8.043 1.00 0.00 WT1 ATOM 2131 H2 TIP3 1974 0.895 12.310 -6.933 1.00 0.00 WT1 ATOM 2132 OH2 TIP3 1977 13.518 -0.707 -28.549 1.00 0.00 WT1 ATOM 2133 H1 TIP3 1977 12.931 -0.215 -29.182 1.00 0.00 WT1 ATOM 2134 H2 TIP3 1977 14.334 -0.545 -28.930 1.00 0.00 WT1 ATOM 2135 OH2 TIP3 1979 10.600 9.519 -16.084 1.00 0.00 WT1 ATOM 2136 H1 TIP3 1979 10.917 8.883 -16.781 1.00 0.00 WT1 ATOM 2137 H2 TIP3 1979 11.375 9.510 -15.480 1.00 0.00 WT1 ATOM 2138 OH2 TIP3 1980 -8.008 3.356 -2.530 1.00 0.00 WT1 ATOM 2139 H1 TIP3 1980 -7.297 3.255 -1.900 1.00 0.00 WT1 ATOM 2140 H2 TIP3 1980 -8.227 4.330 -2.324 1.00 0.00 WT1 ATOM 2141 OH2 TIP3 1982 7.176 15.537 -10.037 1.00 0.00 WT1 ATOM 2142 H1 TIP3 1982 6.887 15.566 -9.075 1.00 0.00 WT1 ATOM 2143 H2 TIP3 1982 7.180 16.475 -10.242 1.00 0.00 WT1 ATOM 2144 OH2 TIP3 1988 -12.561 7.728 -0.359 1.00 0.00 WT1 ATOM 2145 H1 TIP3 1988 -12.416 8.048 0.572 1.00 0.00 WT1 ATOM 2146 H2 TIP3 1988 -11.638 7.580 -0.689 1.00 0.00 WT1 ATOM 2147 OH2 TIP3 1991 2.338 -0.690 -6.019 1.00 0.00 WT1 ATOM 2148 H1 TIP3 1991 2.633 -1.627 -6.189 1.00 0.00 WT1 ATOM 2149 H2 TIP3 1991 2.512 -0.161 -6.831 1.00 0.00 WT1 ATOM 2150 OH2 TIP3 1993 4.308 15.021 -19.069 1.00 0.00 WT1 ATOM 2151 H1 TIP3 1993 4.976 15.200 -19.680 1.00 0.00 WT1 ATOM 2152 H2 TIP3 1993 3.625 15.018 -19.776 1.00 0.00 WT1 ATOM 2153 OH2 TIP3 1994 -1.484 6.522 8.688 1.00 0.00 WT1 ATOM 2154 H1 TIP3 1994 -0.644 6.391 8.191 1.00 0.00 WT1 ATOM 2155 H2 TIP3 1994 -1.898 7.121 8.042 1.00 0.00 WT1 ATOM 2156 OH2 TIP3 1995 3.161 6.947 17.875 1.00 0.00 WT1 ATOM 2157 H1 TIP3 1995 2.491 6.226 17.905 1.00 0.00 WT1 ATOM 2158 H2 TIP3 1995 3.594 6.633 18.723 1.00 0.00 WT1 ATOM 2159 OH2 TIP3 1997 9.084 2.300 1.965 1.00 0.00 WT1 ATOM 2160 H1 TIP3 1997 9.777 3.019 1.992 1.00 0.00 WT1 ATOM 2161 H2 TIP3 1997 9.231 1.972 2.838 1.00 0.00 WT1 ATOM 2162 OH2 TIP3 1999 -7.788 9.666 -6.675 1.00 0.00 WT1 ATOM 2163 H1 TIP3 1999 -7.664 8.708 -6.580 1.00 0.00 WT1 ATOM 2164 H2 TIP3 1999 -8.736 9.723 -6.697 1.00 0.00 WT1 ATOM 2165 OH2 TIP3 2003 -18.274 3.162 -22.896 1.00 0.00 WT1 ATOM 2166 H1 TIP3 2003 -19.227 3.239 -22.623 1.00 0.00 WT1 ATOM 2167 H2 TIP3 2003 -18.029 2.456 -22.294 1.00 0.00 WT1 ATOM 2168 OH2 TIP3 2014 -5.699 15.101 -19.392 1.00 0.00 WT1 ATOM 2169 H1 TIP3 2014 -5.416 14.168 -19.260 1.00 0.00 WT1 ATOM 2170 H2 TIP3 2014 -5.442 15.156 -20.339 1.00 0.00 WT1 ATOM 2171 OH2 TIP3 2020 -5.421 10.979 -22.989 1.00 0.00 WT1 ATOM 2172 H1 TIP3 2020 -4.789 11.448 -23.533 1.00 0.00 WT1 ATOM 2173 H2 TIP3 2020 -4.843 10.683 -22.297 1.00 0.00 WT1 ATOM 2174 OH2 TIP3 2021 -18.259 -0.708 -30.717 1.00 0.00 WT1 ATOM 2175 H1 TIP3 2021 -18.532 -0.237 -29.896 1.00 0.00 WT1 ATOM 2176 H2 TIP3 2021 -18.656 -0.359 -31.450 1.00 0.00 WT1 ATOM 2177 OH2 TIP3 2028 -6.048 6.262 -14.861 1.00 0.00 WT1 ATOM 2178 H1 TIP3 2028 -6.486 5.391 -15.095 1.00 0.00 WT1 ATOM 2179 H2 TIP3 2028 -6.368 6.758 -15.656 1.00 0.00 WT1 ATOM 2180 OH2 TIP3 2042 7.232 15.702 -14.858 1.00 0.00 WT1 ATOM 2181 H1 TIP3 2042 7.068 15.416 -15.720 1.00 0.00 WT1 ATOM 2182 H2 TIP3 2042 6.769 15.041 -14.300 1.00 0.00 WT1 ATOM 2183 OH2 TIP3 2044 -7.820 11.468 -21.761 1.00 0.00 WT1 ATOM 2184 H1 TIP3 2044 -7.023 11.428 -22.317 1.00 0.00 WT1 ATOM 2185 H2 TIP3 2044 -7.500 11.156 -20.901 1.00 0.00 WT1 ATOM 2186 OH2 TIP3 2049 -16.377 3.964 -7.912 1.00 0.00 WT1 ATOM 2187 H1 TIP3 2049 -15.907 4.131 -8.751 1.00 0.00 WT1 ATOM 2188 H2 TIP3 2049 -16.395 4.746 -7.395 1.00 0.00 WT1 ATOM 2189 OH2 TIP3 2061 -2.613 16.555 -23.472 1.00 0.00 WT1 ATOM 2190 H1 TIP3 2061 -1.665 16.761 -23.474 1.00 0.00 WT1 ATOM 2191 H2 TIP3 2061 -2.723 16.052 -24.259 1.00 0.00 WT1 ATOM 2192 OH2 TIP3 2105 9.170 7.118 -32.306 1.00 0.00 WT1 ATOM 2193 H1 TIP3 2105 9.632 6.795 -31.519 1.00 0.00 WT1 ATOM 2194 H2 TIP3 2105 9.382 6.436 -32.970 1.00 0.00 WT1 ATOM 2195 OH2 TIP3 2133 0.505 -15.693 -5.066 1.00 0.00 WT1 ATOM 2196 H1 TIP3 2133 1.360 -15.290 -4.901 1.00 0.00 WT1 ATOM 2197 H2 TIP3 2133 0.247 -15.140 -5.829 1.00 0.00 WT1 ATOM 2198 OH2 TIP3 2147 -9.264 -9.447 -29.300 1.00 0.00 WT1 ATOM 2199 H1 TIP3 2147 -9.009 -8.621 -28.821 1.00 0.00 WT1 ATOM 2200 H2 TIP3 2147 -8.336 -9.569 -29.645 1.00 0.00 WT1 ATOM 2201 OH2 TIP3 2155 7.589 -9.281 -6.482 1.00 0.00 WT1 ATOM 2202 H1 TIP3 2155 7.625 -8.414 -6.016 1.00 0.00 WT1 ATOM 2203 H2 TIP3 2155 6.624 -9.497 -6.334 1.00 0.00 WT1 ATOM 2204 OH2 TIP3 2184 -8.822 -2.893 4.423 1.00 0.00 WT1 ATOM 2205 H1 TIP3 2184 -8.010 -2.616 4.866 1.00 0.00 WT1 ATOM 2206 H2 TIP3 2184 -8.690 -3.732 3.944 1.00 0.00 WT1 ATOM 2207 OH2 TIP3 2197 -7.792 -9.724 8.672 1.00 0.00 WT1 ATOM 2208 H1 TIP3 2197 -8.263 -9.172 7.926 1.00 0.00 WT1 ATOM 2209 H2 TIP3 2197 -7.967 -10.634 8.475 1.00 0.00 WT1 ATOM 2210 OH2 TIP3 2200 -12.515 -9.427 -11.977 1.00 0.00 WT1 ATOM 2211 H1 TIP3 2200 -11.526 -9.185 -11.783 1.00 0.00 WT1 ATOM 2212 H2 TIP3 2200 -12.759 -9.809 -11.062 1.00 0.00 WT1 ATOM 2213 OH2 TIP3 2208 11.021 2.065 -29.871 1.00 0.00 WT1 ATOM 2214 H1 TIP3 2208 10.225 1.874 -29.278 1.00 0.00 WT1 ATOM 2215 H2 TIP3 2208 10.549 2.573 -30.611 1.00 0.00 WT1 ATOM 2216 OH2 TIP3 2211 7.502 -3.322 -15.408 1.00 0.00 WT1 ATOM 2217 H1 TIP3 2211 7.636 -3.943 -14.687 1.00 0.00 WT1 ATOM 2218 H2 TIP3 2211 7.354 -2.481 -14.846 1.00 0.00 WT1 ATOM 2219 OH2 TIP3 2217 -8.204 -13.302 -7.915 1.00 0.00 WT1 ATOM 2220 H1 TIP3 2217 -8.646 -13.798 -8.588 1.00 0.00 WT1 ATOM 2221 H2 TIP3 2217 -7.629 -13.978 -7.511 1.00 0.00 WT1 ATOM 2222 OH2 TIP3 2219 -10.763 -10.396 -14.593 1.00 0.00 WT1 ATOM 2223 H1 TIP3 2219 -11.431 -10.090 -13.908 1.00 0.00 WT1 ATOM 2224 H2 TIP3 2219 -10.062 -9.730 -14.513 1.00 0.00 WT1 ATOM 2225 OH2 TIP3 2225 8.098 -11.971 31.949 1.00 0.00 WT1 ATOM 2226 H1 TIP3 2225 7.549 -12.735 31.722 1.00 0.00 WT1 ATOM 2227 H2 TIP3 2225 8.995 -12.332 32.118 1.00 0.00 WT1 ATOM 2228 OH2 TIP3 2232 -12.166 -3.370 -18.154 1.00 0.00 WT1 ATOM 2229 H1 TIP3 2232 -12.965 -2.915 -18.236 1.00 0.00 WT1 ATOM 2230 H2 TIP3 2232 -11.927 -3.077 -17.200 1.00 0.00 WT1 ATOM 2231 OH2 TIP3 2234 -4.484 -15.016 -20.649 1.00 0.00 WT1 ATOM 2232 H1 TIP3 2234 -4.642 -15.936 -20.597 1.00 0.00 WT1 ATOM 2233 H2 TIP3 2234 -5.060 -14.827 -21.425 1.00 0.00 WT1 ATOM 2234 OH2 TIP3 2235 -10.101 -14.078 -26.077 1.00 0.00 WT1 ATOM 2235 H1 TIP3 2235 -10.271 -15.023 -26.098 1.00 0.00 WT1 ATOM 2236 H2 TIP3 2235 -10.625 -13.778 -25.330 1.00 0.00 WT1 ATOM 2237 OH2 TIP3 2237 -2.258 -11.769 4.030 1.00 0.00 WT1 ATOM 2238 H1 TIP3 2237 -2.788 -11.876 3.190 1.00 0.00 WT1 ATOM 2239 H2 TIP3 2237 -2.095 -10.806 4.008 1.00 0.00 WT1 ATOM 2240 OH2 TIP3 2238 -13.574 -8.400 -4.850 1.00 0.00 WT1 ATOM 2241 H1 TIP3 2238 -14.293 -8.000 -4.331 1.00 0.00 WT1 ATOM 2242 H2 TIP3 2238 -13.241 -7.571 -5.145 1.00 0.00 WT1 ATOM 2243 OH2 TIP3 2241 -3.525 -9.886 -17.383 1.00 0.00 WT1 ATOM 2244 H1 TIP3 2241 -3.700 -9.439 -18.222 1.00 0.00 WT1 ATOM 2245 H2 TIP3 2241 -4.430 -10.202 -17.217 1.00 0.00 WT1 ATOM 2246 OH2 TIP3 2242 -2.661 -14.556 4.945 1.00 0.00 WT1 ATOM 2247 H1 TIP3 2242 -2.568 -13.641 4.636 1.00 0.00 WT1 ATOM 2248 H2 TIP3 2242 -1.750 -14.914 4.635 1.00 0.00 WT1 ATOM 2249 OH2 TIP3 2247 -4.880 -6.997 7.238 1.00 0.00 WT1 ATOM 2250 H1 TIP3 2247 -4.500 -6.421 6.576 1.00 0.00 WT1 ATOM 2251 H2 TIP3 2247 -4.224 -7.729 7.151 1.00 0.00 WT1 ATOM 2252 OH2 TIP3 2248 -0.063 -15.094 4.364 1.00 0.00 WT1 ATOM 2253 H1 TIP3 2248 0.521 -15.893 4.334 1.00 0.00 WT1 ATOM 2254 H2 TIP3 2248 -0.097 -14.789 3.443 1.00 0.00 WT1 ATOM 2255 OH2 TIP3 2249 4.153 -12.193 2.540 1.00 0.00 WT1 ATOM 2256 H1 TIP3 2249 3.260 -12.208 2.931 1.00 0.00 WT1 ATOM 2257 H2 TIP3 2249 3.974 -11.429 1.887 1.00 0.00 WT1 ATOM 2258 OH2 TIP3 2251 -14.364 -1.532 -36.176 1.00 0.00 WT1 ATOM 2259 H1 TIP3 2251 -14.117 -2.171 -35.475 1.00 0.00 WT1 ATOM 2260 H2 TIP3 2251 -13.666 -0.862 -36.020 1.00 0.00 WT1 ATOM 2261 OH2 TIP3 2253 -14.582 -1.060 -32.733 1.00 0.00 WT1 ATOM 2262 H1 TIP3 2253 -14.071 -0.215 -32.577 1.00 0.00 WT1 ATOM 2263 H2 TIP3 2253 -15.266 -0.669 -33.396 1.00 0.00 WT1 ATOM 2264 OH2 TIP3 2254 13.571 0.984 -19.360 1.00 0.00 WT1 ATOM 2265 H1 TIP3 2254 14.132 0.317 -19.826 1.00 0.00 WT1 ATOM 2266 H2 TIP3 2254 13.873 0.812 -18.455 1.00 0.00 WT1 ATOM 2267 OH2 TIP3 2256 -20.459 0.762 -26.545 1.00 0.00 WT1 ATOM 2268 H1 TIP3 2256 -21.228 0.134 -26.602 1.00 0.00 WT1 ATOM 2269 H2 TIP3 2256 -19.770 0.181 -26.139 1.00 0.00 WT1 ATOM 2270 OH2 TIP3 2258 5.624 -1.879 -16.865 1.00 0.00 WT1 ATOM 2271 H1 TIP3 2258 5.142 -2.732 -16.812 1.00 0.00 WT1 ATOM 2272 H2 TIP3 2258 6.507 -2.232 -16.700 1.00 0.00 WT1 ATOM 2273 OH2 TIP3 2259 12.651 8.510 -14.474 1.00 0.00 WT1 ATOM 2274 H1 TIP3 2259 12.004 7.836 -14.122 1.00 0.00 WT1 ATOM 2275 H2 TIP3 2259 13.456 8.142 -14.026 1.00 0.00 WT1 ATOM 2276 OH2 TIP3 2261 -10.823 -13.113 -5.864 1.00 0.00 WT1 ATOM 2277 H1 TIP3 2261 -11.600 -13.245 -6.499 1.00 0.00 WT1 ATOM 2278 H2 TIP3 2261 -11.230 -12.446 -5.259 1.00 0.00 WT1 ATOM 2279 OH2 TIP3 2264 -4.214 -13.125 -0.424 1.00 0.00 WT1 ATOM 2280 H1 TIP3 2264 -4.992 -13.759 -0.187 1.00 0.00 WT1 ATOM 2281 H2 TIP3 2264 -4.084 -13.474 -1.345 1.00 0.00 WT1 ATOM 2282 OH2 TIP3 2265 -7.016 -12.953 11.882 1.00 0.00 WT1 ATOM 2283 H1 TIP3 2265 -6.562 -12.993 10.998 1.00 0.00 WT1 ATOM 2284 H2 TIP3 2265 -6.400 -12.461 12.331 1.00 0.00 WT1 ATOM 2285 OH2 TIP3 2269 -10.343 -3.797 -33.828 1.00 0.00 WT1 ATOM 2286 H1 TIP3 2269 -9.481 -4.068 -33.508 1.00 0.00 WT1 ATOM 2287 H2 TIP3 2269 -10.152 -2.900 -33.944 1.00 0.00 WT1 ATOM 2288 OH2 TIP3 2271 8.463 -4.474 -31.224 1.00 0.00 WT1 ATOM 2289 H1 TIP3 2271 8.817 -5.172 -30.680 1.00 0.00 WT1 ATOM 2290 H2 TIP3 2271 9.024 -3.779 -30.849 1.00 0.00 WT1 ATOM 2291 OH2 TIP3 2273 9.086 2.931 -16.894 1.00 0.00 WT1 ATOM 2292 H1 TIP3 2273 8.495 2.146 -16.873 1.00 0.00 WT1 ATOM 2293 H2 TIP3 2273 9.435 2.779 -15.962 1.00 0.00 WT1 ATOM 2294 OH2 TIP3 2274 -9.282 6.880 -17.246 1.00 0.00 WT1 ATOM 2295 H1 TIP3 2274 -8.324 7.204 -17.211 1.00 0.00 WT1 ATOM 2296 H2 TIP3 2274 -9.531 7.289 -16.438 1.00 0.00 WT1 ATOM 2297 OH2 TIP3 2275 -1.626 -8.682 -25.192 1.00 0.00 WT1 ATOM 2298 H1 TIP3 2275 -0.838 -8.685 -25.756 1.00 0.00 WT1 ATOM 2299 H2 TIP3 2275 -2.233 -8.452 -25.920 1.00 0.00 WT1 ATOM 2300 OH2 TIP3 2276 6.145 6.403 -31.674 1.00 0.00 WT1 ATOM 2301 H1 TIP3 2276 6.996 6.292 -32.184 1.00 0.00 WT1 ATOM 2302 H2 TIP3 2276 6.035 5.516 -31.283 1.00 0.00 WT1 ATOM 2303 OH2 TIP3 2277 -15.840 4.449 -14.562 1.00 0.00 WT1 ATOM 2304 H1 TIP3 2277 -16.728 4.003 -14.378 1.00 0.00 WT1 ATOM 2305 H2 TIP3 2277 -15.832 4.278 -15.524 1.00 0.00 WT1 ATOM 2306 OH2 TIP3 2278 2.596 -7.353 -15.956 1.00 0.00 WT1 ATOM 2307 H1 TIP3 2278 2.537 -8.106 -16.610 1.00 0.00 WT1 ATOM 2308 H2 TIP3 2278 1.905 -6.759 -16.336 1.00 0.00 WT1 ATOM 2309 OH2 TIP3 2281 -8.528 -7.209 -18.490 1.00 0.00 WT1 ATOM 2310 H1 TIP3 2281 -9.478 -7.127 -18.486 1.00 0.00 WT1 ATOM 2311 H2 TIP3 2281 -8.194 -6.825 -17.626 1.00 0.00 WT1 ATOM 2312 OH2 TIP3 2283 -5.364 -13.586 -18.475 1.00 0.00 WT1 ATOM 2313 H1 TIP3 2283 -6.254 -13.564 -18.819 1.00 0.00 WT1 ATOM 2314 H2 TIP3 2283 -5.007 -14.369 -18.969 1.00 0.00 WT1 ATOM 2315 OH2 TIP3 2285 2.554 4.454 -14.454 1.00 0.00 WT1 ATOM 2316 H1 TIP3 2285 3.320 5.045 -14.595 1.00 0.00 WT1 ATOM 2317 H2 TIP3 2285 2.742 4.127 -13.519 1.00 0.00 WT1 ATOM 2318 OH2 TIP3 2286 -5.940 -14.716 -16.083 1.00 0.00 WT1 ATOM 2319 H1 TIP3 2286 -6.874 -14.935 -15.854 1.00 0.00 WT1 ATOM 2320 H2 TIP3 2286 -6.105 -14.507 -17.025 1.00 0.00 WT1 ATOM 2321 OH2 TIP3 2294 -8.792 5.145 -38.459 1.00 0.00 WT1 ATOM 2322 H1 TIP3 2294 -8.489 5.353 -39.326 1.00 0.00 WT1 ATOM 2323 H2 TIP3 2294 -8.046 5.563 -37.955 1.00 0.00 WT1 ATOM 2324 OH2 TIP3 2296 10.403 8.686 -28.564 1.00 0.00 WT1 ATOM 2325 H1 TIP3 2296 10.717 8.199 -27.751 1.00 0.00 WT1 ATOM 2326 H2 TIP3 2296 10.977 9.522 -28.560 1.00 0.00 WT1 ATOM 2327 OH2 TIP3 2298 1.207 -13.233 -10.079 1.00 0.00 WT1 ATOM 2328 H1 TIP3 2298 0.826 -12.381 -9.898 1.00 0.00 WT1 ATOM 2329 H2 TIP3 2298 2.140 -12.893 -10.087 1.00 0.00 WT1 ATOM 2330 OH2 TIP3 2299 0.345 15.596 -13.410 1.00 0.00 WT1 ATOM 2331 H1 TIP3 2299 1.196 15.091 -13.600 1.00 0.00 WT1 ATOM 2332 H2 TIP3 2299 0.186 15.581 -12.478 1.00 0.00 WT1 ATOM 2333 OH2 TIP3 2301 -3.941 -17.321 1.193 1.00 0.00 WT1 ATOM 2334 H1 TIP3 2301 -4.103 -17.155 2.146 1.00 0.00 WT1 ATOM 2335 H2 TIP3 2301 -3.287 -17.969 1.241 1.00 0.00 WT1 ATOM 2336 OH2 TIP3 2302 -6.381 -1.870 -29.620 1.00 0.00 WT1 ATOM 2337 H1 TIP3 2302 -5.922 -2.472 -29.021 1.00 0.00 WT1 ATOM 2338 H2 TIP3 2302 -5.852 -1.059 -29.352 1.00 0.00 WT1 ATOM 2339 OH2 TIP3 2303 -6.106 -5.158 14.820 1.00 0.00 WT1 ATOM 2340 H1 TIP3 2303 -5.227 -5.315 15.252 1.00 0.00 WT1 ATOM 2341 H2 TIP3 2303 -6.184 -4.231 14.584 1.00 0.00 WT1 ATOM 2342 OH2 TIP3 2305 0.189 -13.896 1.765 1.00 0.00 WT1 ATOM 2343 H1 TIP3 2305 0.813 -14.355 1.134 1.00 0.00 WT1 ATOM 2344 H2 TIP3 2305 -0.605 -14.467 1.585 1.00 0.00 WT1 ATOM 2345 OH2 TIP3 2307 6.840 -10.251 -10.432 1.00 0.00 WT1 ATOM 2346 H1 TIP3 2307 7.635 -9.695 -10.513 1.00 0.00 WT1 ATOM 2347 H2 TIP3 2307 6.306 -10.058 -11.240 1.00 0.00 WT1 ATOM 2348 OH2 TIP3 2308 8.048 -12.810 22.792 1.00 0.00 WT1 ATOM 2349 H1 TIP3 2308 7.761 -13.382 22.135 1.00 0.00 WT1 ATOM 2350 H2 TIP3 2308 7.777 -12.039 22.389 1.00 0.00 WT1 ATOM 2351 OH2 TIP3 2310 -4.669 -16.068 24.738 1.00 0.00 WT1 ATOM 2352 H1 TIP3 2310 -3.677 -15.805 24.806 1.00 0.00 WT1 ATOM 2353 H2 TIP3 2310 -4.995 -16.018 25.606 1.00 0.00 WT1 ATOM 2354 OH2 TIP3 2311 -13.663 -3.308 -34.306 1.00 0.00 WT1 ATOM 2355 H1 TIP3 2311 -13.919 -4.065 -33.759 1.00 0.00 WT1 ATOM 2356 H2 TIP3 2311 -13.578 -2.602 -33.643 1.00 0.00 WT1 ATOM 2357 OH2 TIP3 2321 -1.987 12.116 -18.465 1.00 0.00 WT1 ATOM 2358 H1 TIP3 2321 -2.680 12.344 -17.790 1.00 0.00 WT1 ATOM 2359 H2 TIP3 2321 -1.226 12.703 -18.211 1.00 0.00 WT1 ATOM 2360 OH2 TIP3 2322 2.651 7.009 -25.987 1.00 0.00 WT1 ATOM 2361 H1 TIP3 2322 2.091 6.931 -26.766 1.00 0.00 WT1 ATOM 2362 H2 TIP3 2322 3.110 6.134 -26.092 1.00 0.00 WT1 ATOM 2363 OH2 TIP3 2324 -7.038 13.441 -28.392 1.00 0.00 WT1 ATOM 2364 H1 TIP3 2324 -7.937 13.796 -28.576 1.00 0.00 WT1 ATOM 2365 H2 TIP3 2324 -6.531 14.103 -28.850 1.00 0.00 WT1 ATOM 2366 OH2 TIP3 2327 1.286 8.951 -1.983 1.00 0.00 WT1 ATOM 2367 H1 TIP3 2327 1.799 8.260 -1.631 1.00 0.00 WT1 ATOM 2368 H2 TIP3 2327 0.431 8.514 -2.108 1.00 0.00 WT1 ATOM 2369 OH2 TIP3 2328 -9.846 10.337 3.641 1.00 0.00 WT1 ATOM 2370 H1 TIP3 2328 -10.230 11.217 3.794 1.00 0.00 WT1 ATOM 2371 H2 TIP3 2328 -9.544 10.151 4.573 1.00 0.00 WT1 ATOM 2372 OH2 TIP3 2330 -14.632 -1.019 6.160 1.00 0.00 WT1 ATOM 2373 H1 TIP3 2330 -14.682 -1.532 7.024 1.00 0.00 WT1 ATOM 2374 H2 TIP3 2330 -13.651 -0.824 6.128 1.00 0.00 WT1 ATOM 2375 OH2 TIP3 2331 4.643 6.612 -36.838 1.00 0.00 WT1 ATOM 2376 H1 TIP3 2331 4.379 6.030 -37.559 1.00 0.00 WT1 ATOM 2377 H2 TIP3 2331 3.953 7.294 -36.968 1.00 0.00 WT1 ATOM 2378 OH2 TIP3 2332 8.053 9.739 -35.631 1.00 0.00 WT1 ATOM 2379 H1 TIP3 2332 8.690 10.370 -36.029 1.00 0.00 WT1 ATOM 2380 H2 TIP3 2332 7.163 10.122 -35.651 1.00 0.00 WT1 ATOM 2381 OH2 TIP3 2333 -4.338 -5.295 -36.055 1.00 0.00 WT1 ATOM 2382 H1 TIP3 2333 -4.417 -4.672 -35.354 1.00 0.00 WT1 ATOM 2383 H2 TIP3 2333 -5.248 -5.356 -36.428 1.00 0.00 WT1 ATOM 2384 OH2 TIP3 2335 -8.414 -7.386 -36.089 1.00 0.00 WT1 ATOM 2385 H1 TIP3 2335 -8.811 -7.211 -36.982 1.00 0.00 WT1 ATOM 2386 H2 TIP3 2335 -7.540 -7.531 -36.409 1.00 0.00 WT1 ATOM 2387 OH2 TIP3 2336 11.935 2.587 -25.590 1.00 0.00 WT1 ATOM 2388 H1 TIP3 2336 11.348 1.946 -25.895 1.00 0.00 WT1 ATOM 2389 H2 TIP3 2336 12.405 2.907 -26.332 1.00 0.00 WT1 ATOM 2390 OH2 TIP3 2337 4.243 13.282 -22.122 1.00 0.00 WT1 ATOM 2391 H1 TIP3 2337 3.851 14.154 -21.941 1.00 0.00 WT1 ATOM 2392 H2 TIP3 2337 3.458 12.761 -21.970 1.00 0.00 WT1 ATOM 2393 OH2 TIP3 2340 -10.831 8.820 1.821 1.00 0.00 WT1 ATOM 2394 H1 TIP3 2340 -11.061 8.216 2.545 1.00 0.00 WT1 ATOM 2395 H2 TIP3 2340 -10.451 9.551 2.414 1.00 0.00 WT1 ATOM 2396 OH2 TIP3 2344 1.325 -11.931 3.559 1.00 0.00 WT1 ATOM 2397 H1 TIP3 2344 0.567 -11.845 4.154 1.00 0.00 WT1 ATOM 2398 H2 TIP3 2344 1.131 -12.670 2.957 1.00 0.00 WT1 ATOM 2399 OH2 TIP3 2345 -4.125 -13.470 -14.005 1.00 0.00 WT1 ATOM 2400 H1 TIP3 2345 -4.398 -14.257 -14.485 1.00 0.00 WT1 ATOM 2401 H2 TIP3 2345 -3.626 -12.996 -14.719 1.00 0.00 WT1 ATOM 2402 OH2 TIP3 2346 -0.464 -11.653 -8.242 1.00 0.00 WT1 ATOM 2403 H1 TIP3 2346 -1.162 -12.050 -8.780 1.00 0.00 WT1 ATOM 2404 H2 TIP3 2346 -0.513 -10.796 -8.617 1.00 0.00 WT1 ATOM 2405 OH2 TIP3 2349 2.734 12.737 -6.602 1.00 0.00 WT1 ATOM 2406 H1 TIP3 2349 2.958 13.428 -5.853 1.00 0.00 WT1 ATOM 2407 H2 TIP3 2349 3.227 13.162 -7.372 1.00 0.00 WT1 ATOM 2408 OH2 TIP3 2350 7.953 12.237 7.394 1.00 0.00 WT1 ATOM 2409 H1 TIP3 2350 7.596 13.094 7.560 1.00 0.00 WT1 ATOM 2410 H2 TIP3 2350 7.533 12.048 6.559 1.00 0.00 WT1 ATOM 2411 OH2 TIP3 2351 5.399 2.332 -33.893 1.00 0.00 WT1 ATOM 2412 H1 TIP3 2351 6.296 2.246 -34.284 1.00 0.00 WT1 ATOM 2413 H2 TIP3 2351 5.286 3.214 -34.198 1.00 0.00 WT1 ATOM 2414 OH2 TIP3 2352 4.976 -1.800 -35.829 1.00 0.00 WT1 ATOM 2415 H1 TIP3 2352 4.767 -0.963 -36.279 1.00 0.00 WT1 ATOM 2416 H2 TIP3 2352 5.858 -1.532 -35.455 1.00 0.00 WT1 ATOM 2417 OH2 TIP3 2353 -4.434 10.484 -0.351 1.00 0.00 WT1 ATOM 2418 H1 TIP3 2353 -5.219 10.573 -0.934 1.00 0.00 WT1 ATOM 2419 H2 TIP3 2353 -4.105 11.360 -0.293 1.00 0.00 WT1 ATOM 2420 OH2 TIP3 2354 -6.813 10.080 -19.447 1.00 0.00 WT1 ATOM 2421 H1 TIP3 2354 -6.582 9.194 -19.687 1.00 0.00 WT1 ATOM 2422 H2 TIP3 2354 -7.110 9.905 -18.522 1.00 0.00 WT1 ATOM 2423 OH2 TIP3 2355 -4.654 -7.291 -32.187 1.00 0.00 WT1 ATOM 2424 H1 TIP3 2355 -5.501 -7.718 -32.027 1.00 0.00 WT1 ATOM 2425 H2 TIP3 2355 -4.416 -7.483 -33.166 1.00 0.00 WT1 ATOM 2426 OH2 TIP3 2361 -12.489 1.932 -19.744 1.00 0.00 WT1 ATOM 2427 H1 TIP3 2361 -13.115 1.634 -19.053 1.00 0.00 WT1 ATOM 2428 H2 TIP3 2361 -12.966 1.586 -20.530 1.00 0.00 WT1 ATOM 2429 OH2 TIP3 2362 9.657 2.261 -14.350 1.00 0.00 WT1 ATOM 2430 H1 TIP3 2362 9.196 2.037 -13.527 1.00 0.00 WT1 ATOM 2431 H2 TIP3 2362 10.051 1.407 -14.464 1.00 0.00 WT1 ATOM 2432 OH2 TIP3 2363 4.101 -3.064 -0.774 1.00 0.00 WT1 ATOM 2433 H1 TIP3 2363 4.243 -2.922 0.163 1.00 0.00 WT1 ATOM 2434 H2 TIP3 2363 3.566 -2.202 -0.935 1.00 0.00 WT1 ATOM 2435 OH2 TIP3 2364 -0.037 18.750 -19.667 1.00 0.00 WT1 ATOM 2436 H1 TIP3 2364 -0.374 19.593 -20.016 1.00 0.00 WT1 ATOM 2437 H2 TIP3 2364 -0.745 18.071 -19.822 1.00 0.00 WT1 ATOM 2438 OH2 TIP3 2365 12.631 -3.469 -11.242 1.00 0.00 WT1 ATOM 2439 H1 TIP3 2365 11.998 -3.812 -10.595 1.00 0.00 WT1 ATOM 2440 H2 TIP3 2365 13.401 -3.312 -10.614 1.00 0.00 WT1 ATOM 2441 OH2 TIP3 2366 3.285 5.919 5.695 1.00 0.00 WT1 ATOM 2442 H1 TIP3 2366 3.942 5.735 6.361 1.00 0.00 WT1 ATOM 2443 H2 TIP3 2366 2.857 5.037 5.555 1.00 0.00 WT1 ATOM 2444 OH2 TIP3 2367 10.201 15.882 -15.015 1.00 0.00 WT1 ATOM 2445 H1 TIP3 2367 10.329 15.936 -13.997 1.00 0.00 WT1 ATOM 2446 H2 TIP3 2367 9.383 16.334 -15.286 1.00 0.00 WT1 ATOM 2447 OH2 TIP3 2368 5.466 -6.182 -16.958 1.00 0.00 WT1 ATOM 2448 H1 TIP3 2368 6.258 -6.647 -17.190 1.00 0.00 WT1 ATOM 2449 H2 TIP3 2368 5.223 -6.654 -16.150 1.00 0.00 WT1 ATOM 2450 OH2 TIP3 2369 5.967 -4.247 9.304 1.00 0.00 WT1 ATOM 2451 H1 TIP3 2369 4.983 -4.375 9.415 1.00 0.00 WT1 ATOM 2452 H2 TIP3 2369 6.117 -3.595 8.553 1.00 0.00 WT1 ATOM 2453 OH2 TIP3 2370 -14.256 -1.431 11.319 1.00 0.00 WT1 ATOM 2454 H1 TIP3 2370 -13.264 -1.381 11.170 1.00 0.00 WT1 ATOM 2455 H2 TIP3 2370 -14.389 -0.635 11.765 1.00 0.00 WT1 ATOM 2456 OH2 TIP3 2371 7.378 -11.330 16.690 1.00 0.00 WT1 ATOM 2457 H1 TIP3 2371 6.704 -10.667 16.411 1.00 0.00 WT1 ATOM 2458 H2 TIP3 2371 7.092 -12.226 16.362 1.00 0.00 WT1 ATOM 2459 OH2 TIP3 2374 1.028 3.567 20.053 1.00 0.00 WT1 ATOM 2460 H1 TIP3 2374 1.591 3.621 20.849 1.00 0.00 WT1 ATOM 2461 H2 TIP3 2374 1.017 2.613 20.036 1.00 0.00 WT1 ATOM 2462 OH2 TIP3 2375 6.196 -4.158 -21.604 1.00 0.00 WT1 ATOM 2463 H1 TIP3 2375 6.080 -4.970 -21.187 1.00 0.00 WT1 ATOM 2464 H2 TIP3 2375 7.126 -4.076 -21.522 1.00 0.00 WT1 ATOM 2465 OH2 TIP3 2376 7.544 -9.009 -29.520 1.00 0.00 WT1 ATOM 2466 H1 TIP3 2376 6.698 -8.828 -29.921 1.00 0.00 WT1 ATOM 2467 H2 TIP3 2376 7.239 -9.231 -28.589 1.00 0.00 WT1 ATOM 2468 OH2 TIP3 2380 5.374 1.280 -39.088 1.00 0.00 WT1 ATOM 2469 H1 TIP3 2380 4.855 0.536 -39.362 1.00 0.00 WT1 ATOM 2470 H2 TIP3 2380 5.518 1.695 -39.942 1.00 0.00 WT1 ATOM 2471 OH2 TIP3 2383 -3.894 5.311 -0.518 1.00 0.00 WT1 ATOM 2472 H1 TIP3 2383 -3.911 6.276 -0.283 1.00 0.00 WT1 ATOM 2473 H2 TIP3 2383 -2.960 5.155 -0.453 1.00 0.00 WT1 ATOM 2474 OH2 TIP3 2385 -15.149 10.960 -23.515 1.00 0.00 WT1 ATOM 2475 H1 TIP3 2385 -14.265 11.288 -23.910 1.00 0.00 WT1 ATOM 2476 H2 TIP3 2385 -15.065 9.974 -23.666 1.00 0.00 WT1 ATOM 2477 OH2 TIP3 2386 17.722 -3.804 -0.238 1.00 0.00 WT1 ATOM 2478 H1 TIP3 2386 17.601 -3.166 0.515 1.00 0.00 WT1 ATOM 2479 H2 TIP3 2386 17.401 -3.343 -1.066 1.00 0.00 WT1 ATOM 2480 OH2 TIP3 2388 6.787 3.788 -13.748 1.00 0.00 WT1 ATOM 2481 H1 TIP3 2388 6.204 3.120 -14.203 1.00 0.00 WT1 ATOM 2482 H2 TIP3 2388 6.325 4.573 -14.051 1.00 0.00 WT1 ATOM 2483 OH2 TIP3 2392 -2.796 9.161 1.354 1.00 0.00 WT1 ATOM 2484 H1 TIP3 2392 -3.266 9.633 0.621 1.00 0.00 WT1 ATOM 2485 H2 TIP3 2392 -3.549 9.182 1.965 1.00 0.00 WT1 ATOM 2486 OH2 TIP3 2393 -7.653 -3.854 29.009 1.00 0.00 WT1 ATOM 2487 H1 TIP3 2393 -7.775 -3.558 29.887 1.00 0.00 WT1 ATOM 2488 H2 TIP3 2393 -7.394 -2.942 28.638 1.00 0.00 WT1 ATOM 2489 OH2 TIP3 2399 -13.363 8.888 -12.495 1.00 0.00 WT1 ATOM 2490 H1 TIP3 2399 -13.039 9.776 -12.772 1.00 0.00 WT1 ATOM 2491 H2 TIP3 2399 -14.248 8.813 -12.859 1.00 0.00 WT1 ATOM 2492 OH2 TIP3 2400 4.883 9.440 -29.928 1.00 0.00 WT1 ATOM 2493 H1 TIP3 2400 5.682 9.015 -29.664 1.00 0.00 WT1 ATOM 2494 H2 TIP3 2400 4.275 8.687 -29.735 1.00 0.00 WT1 ATOM 2495 OH2 TIP3 2405 -17.020 6.986 -28.063 1.00 0.00 WT1 ATOM 2496 H1 TIP3 2405 -17.646 7.196 -27.324 1.00 0.00 WT1 ATOM 2497 H2 TIP3 2405 -16.080 7.277 -27.814 1.00 0.00 WT1 ATOM 2498 OH2 TIP3 2407 9.905 10.665 -23.810 1.00 0.00 WT1 ATOM 2499 H1 TIP3 2407 9.084 10.224 -23.556 1.00 0.00 WT1 ATOM 2500 H2 TIP3 2407 10.411 9.912 -24.293 1.00 0.00 WT1 ATOM 2501 OH2 TIP3 2409 -19.140 0.582 8.462 1.00 0.00 WT1 ATOM 2502 H1 TIP3 2409 -19.899 0.581 9.108 1.00 0.00 WT1 ATOM 2503 H2 TIP3 2409 -18.330 0.430 9.097 1.00 0.00 WT1 ATOM 2504 OH2 TIP3 2413 3.430 11.754 8.510 1.00 0.00 WT1 ATOM 2505 H1 TIP3 2413 4.012 12.159 9.161 1.00 0.00 WT1 ATOM 2506 H2 TIP3 2413 2.912 12.520 8.322 1.00 0.00 WT1 ATOM 2507 OH2 TIP3 2415 -2.262 11.799 17.197 1.00 0.00 WT1 ATOM 2508 H1 TIP3 2415 -3.004 11.281 17.201 1.00 0.00 WT1 ATOM 2509 H2 TIP3 2415 -1.922 11.762 18.084 1.00 0.00 WT1 ATOM 2510 OH2 TIP3 2419 -12.030 12.585 -28.635 1.00 0.00 WT1 ATOM 2511 H1 TIP3 2419 -12.964 12.764 -28.414 1.00 0.00 WT1 ATOM 2512 H2 TIP3 2419 -11.631 12.732 -27.733 1.00 0.00 WT1 ATOM 2513 OH2 TIP3 2421 -2.992 9.718 -31.132 1.00 0.00 WT1 ATOM 2514 H1 TIP3 2421 -3.671 9.071 -31.428 1.00 0.00 WT1 ATOM 2515 H2 TIP3 2421 -3.545 10.246 -30.526 1.00 0.00 WT1 ATOM 2516 OH2 TIP3 2422 -14.291 3.109 -12.827 1.00 0.00 WT1 ATOM 2517 H1 TIP3 2422 -14.912 3.794 -13.287 1.00 0.00 WT1 ATOM 2518 H2 TIP3 2422 -14.664 2.206 -13.077 1.00 0.00 WT1 ATOM 2519 OH2 TIP3 2435 -13.147 8.200 8.917 1.00 0.00 WT1 ATOM 2520 H1 TIP3 2435 -12.907 8.235 9.884 1.00 0.00 WT1 ATOM 2521 H2 TIP3 2435 -13.186 7.195 8.794 1.00 0.00 WT1 ATOM 2522 OH2 TIP3 2436 7.968 -3.964 -33.834 1.00 0.00 WT1 ATOM 2523 H1 TIP3 2436 8.677 -4.427 -34.322 1.00 0.00 WT1 ATOM 2524 H2 TIP3 2436 8.090 -4.156 -32.926 1.00 0.00 WT1 ATOM 2525 OH2 TIP3 2439 0.097 11.357 -23.867 1.00 0.00 WT1 ATOM 2526 H1 TIP3 2439 0.056 11.619 -24.749 1.00 0.00 WT1 ATOM 2527 H2 TIP3 2439 0.870 11.876 -23.624 1.00 0.00 WT1 ATOM 2528 OH2 TIP3 2442 -3.483 10.101 -21.387 1.00 0.00 WT1 ATOM 2529 H1 TIP3 2442 -2.758 9.607 -21.923 1.00 0.00 WT1 ATOM 2530 H2 TIP3 2442 -3.279 9.809 -20.464 1.00 0.00 WT1 ATOM 2531 OH2 TIP3 2443 -14.537 6.267 -18.744 1.00 0.00 WT1 ATOM 2532 H1 TIP3 2443 -14.639 7.145 -18.214 1.00 0.00 WT1 ATOM 2533 H2 TIP3 2443 -13.658 5.915 -18.566 1.00 0.00 WT1 ATOM 2534 OH2 TIP3 2445 3.868 -0.190 -18.558 1.00 0.00 WT1 ATOM 2535 H1 TIP3 2445 4.562 -0.494 -17.951 1.00 0.00 WT1 ATOM 2536 H2 TIP3 2445 3.885 -0.914 -19.259 1.00 0.00 WT1 ATOM 2537 OH2 TIP3 2451 -10.420 0.315 8.581 1.00 0.00 WT1 ATOM 2538 H1 TIP3 2451 -10.976 0.228 9.375 1.00 0.00 WT1 ATOM 2539 H2 TIP3 2451 -9.991 -0.574 8.510 1.00 0.00 WT1 ATOM 2540 OH2 TIP3 2453 -13.656 4.621 -4.461 1.00 0.00 WT1 ATOM 2541 H1 TIP3 2453 -12.992 5.052 -3.815 1.00 0.00 WT1 ATOM 2542 H2 TIP3 2453 -14.486 4.649 -4.032 1.00 0.00 WT1 ATOM 2543 OH2 TIP3 2456 9.031 5.576 15.626 1.00 0.00 WT1 ATOM 2544 H1 TIP3 2456 9.391 5.122 14.782 1.00 0.00 WT1 ATOM 2545 H2 TIP3 2456 9.798 5.644 16.101 1.00 0.00 WT1 ATOM 2546 OH2 TIP3 2460 1.315 10.805 -39.455 1.00 0.00 WT1 ATOM 2547 H1 TIP3 2460 1.192 10.277 -38.616 1.00 0.00 WT1 ATOM 2548 H2 TIP3 2460 1.835 10.165 -39.986 1.00 0.00 WT1 ATOM 2549 OH2 TIP3 2463 -6.567 12.192 -33.087 1.00 0.00 WT1 ATOM 2550 H1 TIP3 2463 -7.480 11.985 -32.772 1.00 0.00 WT1 ATOM 2551 H2 TIP3 2463 -6.033 12.538 -32.366 1.00 0.00 WT1 ATOM 2552 OH2 TIP3 2464 -2.637 14.802 -25.732 1.00 0.00 WT1 ATOM 2553 H1 TIP3 2464 -1.786 14.405 -25.403 1.00 0.00 WT1 ATOM 2554 H2 TIP3 2464 -3.272 14.078 -25.667 1.00 0.00 WT1 ATOM 2555 OH2 TIP3 2465 -6.660 15.056 -23.087 1.00 0.00 WT1 ATOM 2556 H1 TIP3 2465 -6.431 14.848 -24.022 1.00 0.00 WT1 ATOM 2557 H2 TIP3 2465 -5.841 15.092 -22.551 1.00 0.00 WT1 ATOM 2558 OH2 TIP3 2473 7.777 10.482 -10.961 1.00 0.00 WT1 ATOM 2559 H1 TIP3 2473 7.584 11.108 -11.676 1.00 0.00 WT1 ATOM 2560 H2 TIP3 2473 8.414 9.886 -11.383 1.00 0.00 WT1 ATOM 2561 OH2 TIP3 2476 -1.561 8.042 -5.130 1.00 0.00 WT1 ATOM 2562 H1 TIP3 2476 -1.059 7.695 -5.834 1.00 0.00 WT1 ATOM 2563 H2 TIP3 2476 -1.585 8.996 -5.394 1.00 0.00 WT1 ATOM 2564 OH2 TIP3 2479 -14.162 6.939 -27.064 1.00 0.00 WT1 ATOM 2565 H1 TIP3 2479 -13.397 6.336 -27.103 1.00 0.00 WT1 ATOM 2566 H2 TIP3 2479 -13.769 7.544 -26.382 1.00 0.00 WT1 ATOM 2567 OH2 TIP3 2508 -9.664 8.915 -28.205 1.00 0.00 WT1 ATOM 2568 H1 TIP3 2508 -9.899 9.178 -27.230 1.00 0.00 WT1 ATOM 2569 H2 TIP3 2508 -8.874 9.533 -28.315 1.00 0.00 WT1 ATOM 2570 OH2 TIP3 2513 13.612 2.030 -13.420 1.00 0.00 WT1 ATOM 2571 H1 TIP3 2513 14.561 1.971 -13.638 1.00 0.00 WT1 ATOM 2572 H2 TIP3 2513 13.466 1.244 -12.824 1.00 0.00 WT1 ATOM 2573 OH2 TIP3 2601 15.005 -3.411 11.981 1.00 0.00 WT1 ATOM 2574 H1 TIP3 2601 14.848 -3.957 12.761 1.00 0.00 WT1 ATOM 2575 H2 TIP3 2601 14.110 -3.035 11.919 1.00 0.00 WT1 ATOM 2576 OH2 TIP3 2617 -5.843 -15.563 0.514 1.00 0.00 WT1 ATOM 2577 H1 TIP3 2617 -5.181 -16.302 0.605 1.00 0.00 WT1 ATOM 2578 H2 TIP3 2617 -6.291 -15.734 -0.326 1.00 0.00 WT1 ATOM 2579 OH2 TIP3 2621 -7.376 -12.676 -2.416 1.00 0.00 WT1 ATOM 2580 H1 TIP3 2621 -6.490 -12.495 -2.852 1.00 0.00 WT1 ATOM 2581 H2 TIP3 2621 -7.930 -11.947 -2.749 1.00 0.00 WT1 ATOM 2582 OH2 TIP3 2633 -14.205 1.949 -24.864 1.00 0.00 WT1 ATOM 2583 H1 TIP3 2633 -14.598 2.406 -25.632 1.00 0.00 WT1 ATOM 2584 H2 TIP3 2633 -14.467 1.088 -25.140 1.00 0.00 WT1 ATOM 2585 OH2 TIP3 2644 -8.415 -12.869 2.549 1.00 0.00 WT1 ATOM 2586 H1 TIP3 2644 -8.381 -12.709 1.592 1.00 0.00 WT1 ATOM 2587 H2 TIP3 2644 -9.150 -12.261 2.793 1.00 0.00 WT1 ATOM 2588 OH2 TIP3 2646 -14.180 -7.822 13.774 1.00 0.00 WT1 ATOM 2589 H1 TIP3 2646 -14.157 -6.884 13.826 1.00 0.00 WT1 ATOM 2590 H2 TIP3 2646 -13.977 -7.945 12.848 1.00 0.00 WT1 ATOM 2591 OH2 TIP3 2656 -13.998 -6.223 -19.645 1.00 0.00 WT1 ATOM 2592 H1 TIP3 2656 -14.575 -5.990 -18.868 1.00 0.00 WT1 ATOM 2593 H2 TIP3 2656 -14.266 -5.551 -20.250 1.00 0.00 WT1 ATOM 2594 OH2 TIP3 2657 6.177 -9.523 2.798 1.00 0.00 WT1 ATOM 2595 H1 TIP3 2657 6.168 -8.611 2.511 1.00 0.00 WT1 ATOM 2596 H2 TIP3 2657 5.263 -9.745 3.074 1.00 0.00 WT1 ATOM 2597 OH2 TIP3 2659 0.562 -5.885 -6.477 1.00 0.00 WT1 ATOM 2598 H1 TIP3 2659 -0.246 -6.037 -7.032 1.00 0.00 WT1 ATOM 2599 H2 TIP3 2659 0.971 -5.117 -6.956 1.00 0.00 WT1 ATOM 2600 OH2 TIP3 2662 5.193 -2.810 1.599 1.00 0.00 WT1 ATOM 2601 H1 TIP3 2662 5.325 -3.354 2.449 1.00 0.00 WT1 ATOM 2602 H2 TIP3 2662 5.936 -3.230 1.047 1.00 0.00 WT1 ATOM 2603 OH2 TIP3 2664 3.739 -12.427 -10.285 1.00 0.00 WT1 ATOM 2604 H1 TIP3 2664 4.302 -12.344 -9.493 1.00 0.00 WT1 ATOM 2605 H2 TIP3 2664 4.407 -12.774 -10.933 1.00 0.00 WT1 ATOM 2606 OH2 TIP3 2665 -0.985 14.333 -8.543 1.00 0.00 WT1 ATOM 2607 H1 TIP3 2665 -1.915 14.063 -8.706 1.00 0.00 WT1 ATOM 2608 H2 TIP3 2665 -0.999 14.240 -7.601 1.00 0.00 WT1 ATOM 2609 OH2 TIP3 2666 4.412 -15.755 8.729 1.00 0.00 WT1 ATOM 2610 H1 TIP3 2666 5.258 -15.458 9.146 1.00 0.00 WT1 ATOM 2611 H2 TIP3 2666 3.892 -16.038 9.540 1.00 0.00 WT1 ATOM 2612 OH2 TIP3 2677 -18.761 -2.015 -19.704 1.00 0.00 WT1 ATOM 2613 H1 TIP3 2677 -18.416 -1.980 -20.607 1.00 0.00 WT1 ATOM 2614 H2 TIP3 2677 -18.301 -2.698 -19.254 1.00 0.00 WT1 ATOM 2615 OH2 TIP3 2678 5.603 -9.275 -19.466 1.00 0.00 WT1 ATOM 2616 H1 TIP3 2678 6.390 -8.985 -19.026 1.00 0.00 WT1 ATOM 2617 H2 TIP3 2678 5.357 -9.764 -18.640 1.00 0.00 WT1 ATOM 2618 OH2 TIP3 2680 -1.216 -7.209 -8.043 1.00 0.00 WT1 ATOM 2619 H1 TIP3 2680 -1.739 -6.920 -8.829 1.00 0.00 WT1 ATOM 2620 H2 TIP3 2680 -0.726 -7.916 -8.387 1.00 0.00 WT1 ATOM 2621 OH2 TIP3 2681 -5.160 -13.259 5.728 1.00 0.00 WT1 ATOM 2622 H1 TIP3 2681 -5.138 -14.092 5.224 1.00 0.00 WT1 ATOM 2623 H2 TIP3 2681 -4.845 -13.516 6.586 1.00 0.00 WT1 ATOM 2624 OH2 TIP3 2697 2.732 -1.194 -30.285 1.00 0.00 WT1 ATOM 2625 H1 TIP3 2697 1.854 -1.676 -30.246 1.00 0.00 WT1 ATOM 2626 H2 TIP3 2697 2.791 -0.924 -29.351 1.00 0.00 WT1 ATOM 2627 OH2 TIP3 2699 2.955 15.006 -10.980 1.00 0.00 WT1 ATOM 2628 H1 TIP3 2699 3.088 15.376 -11.840 1.00 0.00 WT1 ATOM 2629 H2 TIP3 2699 2.088 14.718 -11.184 1.00 0.00 WT1 ATOM 2630 OH2 TIP3 2700 7.568 10.656 -2.133 1.00 0.00 WT1 ATOM 2631 H1 TIP3 2700 8.304 10.139 -1.648 1.00 0.00 WT1 ATOM 2632 H2 TIP3 2700 7.526 10.172 -2.986 1.00 0.00 WT1 ATOM 2633 OH2 TIP3 2702 2.040 -14.653 -0.007 1.00 0.00 WT1 ATOM 2634 H1 TIP3 2702 2.981 -14.518 0.179 1.00 0.00 WT1 ATOM 2635 H2 TIP3 2702 2.078 -14.285 -0.938 1.00 0.00 WT1 ATOM 2636 OH2 TIP3 2703 10.045 2.188 -9.049 1.00 0.00 WT1 ATOM 2637 H1 TIP3 2703 9.708 3.072 -8.672 1.00 0.00 WT1 ATOM 2638 H2 TIP3 2703 10.145 2.491 -9.956 1.00 0.00 WT1 ATOM 2639 OH2 TIP3 2706 -0.149 -17.076 6.651 1.00 0.00 WT1 ATOM 2640 H1 TIP3 2706 0.488 -17.641 7.062 1.00 0.00 WT1 ATOM 2641 H2 TIP3 2706 -1.008 -17.507 6.823 1.00 0.00 WT1 ATOM 2642 OH2 TIP3 2709 4.175 0.721 -36.768 1.00 0.00 WT1 ATOM 2643 H1 TIP3 2709 3.597 0.349 -37.455 1.00 0.00 WT1 ATOM 2644 H2 TIP3 2709 4.647 1.371 -37.295 1.00 0.00 WT1 ATOM 2645 OH2 TIP3 2713 -4.202 -3.137 -34.389 1.00 0.00 WT1 ATOM 2646 H1 TIP3 2713 -4.383 -3.527 -33.501 1.00 0.00 WT1 ATOM 2647 H2 TIP3 2713 -4.864 -2.480 -34.570 1.00 0.00 WT1 ATOM 2648 OH2 TIP3 2714 -13.535 -1.128 -28.261 1.00 0.00 WT1 ATOM 2649 H1 TIP3 2714 -14.288 -0.986 -28.832 1.00 0.00 WT1 ATOM 2650 H2 TIP3 2714 -12.778 -1.073 -28.908 1.00 0.00 WT1 ATOM 2651 OH2 TIP3 2717 6.374 -4.788 -28.530 1.00 0.00 WT1 ATOM 2652 H1 TIP3 2717 5.535 -5.128 -28.853 1.00 0.00 WT1 ATOM 2653 H2 TIP3 2717 6.240 -3.842 -28.550 1.00 0.00 WT1 ATOM 2654 OH2 TIP3 2718 7.719 -2.894 0.110 1.00 0.00 WT1 ATOM 2655 H1 TIP3 2718 7.390 -1.976 0.156 1.00 0.00 WT1 ATOM 2656 H2 TIP3 2718 8.226 -2.715 -0.647 1.00 0.00 WT1 ATOM 2657 OH2 TIP3 2719 11.826 -0.762 -23.829 1.00 0.00 WT1 ATOM 2658 H1 TIP3 2719 12.120 -1.703 -23.686 1.00 0.00 WT1 ATOM 2659 H2 TIP3 2719 11.265 -0.782 -24.581 1.00 0.00 WT1 ATOM 2660 OH2 TIP3 2720 7.922 -9.161 -2.021 1.00 0.00 WT1 ATOM 2661 H1 TIP3 2720 8.092 -8.188 -1.775 1.00 0.00 WT1 ATOM 2662 H2 TIP3 2720 8.834 -9.405 -2.146 1.00 0.00 WT1 ATOM 2663 OH2 TIP3 2721 -1.420 -10.210 -10.856 1.00 0.00 WT1 ATOM 2664 H1 TIP3 2721 -1.249 -11.110 -11.175 1.00 0.00 WT1 ATOM 2665 H2 TIP3 2721 -2.344 -9.928 -11.079 1.00 0.00 WT1 ATOM 2666 OH2 TIP3 2724 -4.581 -11.959 -3.072 1.00 0.00 WT1 ATOM 2667 H1 TIP3 2724 -4.428 -11.341 -2.298 1.00 0.00 WT1 ATOM 2668 H2 TIP3 2724 -3.650 -12.286 -3.322 1.00 0.00 WT1 ATOM 2669 OH2 TIP3 2726 -9.392 -14.450 11.729 1.00 0.00 WT1 ATOM 2670 H1 TIP3 2726 -8.461 -14.316 11.857 1.00 0.00 WT1 ATOM 2671 H2 TIP3 2726 -9.654 -14.732 12.611 1.00 0.00 WT1 ATOM 2672 OH2 TIP3 2728 -3.796 -16.288 10.948 1.00 0.00 WT1 ATOM 2673 H1 TIP3 2728 -2.888 -16.156 10.649 1.00 0.00 WT1 ATOM 2674 H2 TIP3 2728 -3.853 -17.249 10.976 1.00 0.00 WT1 ATOM 2675 OH2 TIP3 2730 6.047 -12.674 19.752 1.00 0.00 WT1 ATOM 2676 H1 TIP3 2730 5.605 -13.104 20.535 1.00 0.00 WT1 ATOM 2677 H2 TIP3 2730 6.172 -11.724 20.155 1.00 0.00 WT1 ATOM 2678 OH2 TIP3 2734 -1.349 -11.328 -29.530 1.00 0.00 WT1 ATOM 2679 H1 TIP3 2734 -1.734 -11.755 -30.333 1.00 0.00 WT1 ATOM 2680 H2 TIP3 2734 -1.214 -10.386 -29.878 1.00 0.00 WT1 ATOM 2681 OH2 TIP3 2735 11.785 -0.468 -31.060 1.00 0.00 WT1 ATOM 2682 H1 TIP3 2735 11.498 0.456 -30.853 1.00 0.00 WT1 ATOM 2683 H2 TIP3 2735 11.718 -0.491 -32.026 1.00 0.00 WT1 ATOM 2684 OH2 TIP3 2737 -3.971 -6.413 -24.587 1.00 0.00 WT1 ATOM 2685 H1 TIP3 2737 -4.214 -6.107 -25.451 1.00 0.00 WT1 ATOM 2686 H2 TIP3 2737 -3.078 -6.015 -24.497 1.00 0.00 WT1 ATOM 2687 OH2 TIP3 2738 -14.055 -5.770 -14.667 1.00 0.00 WT1 ATOM 2688 H1 TIP3 2738 -13.474 -5.082 -14.281 1.00 0.00 WT1 ATOM 2689 H2 TIP3 2738 -14.372 -6.310 -13.845 1.00 0.00 WT1 ATOM 2690 OH2 TIP3 2739 9.737 3.159 -23.814 1.00 0.00 WT1 ATOM 2691 H1 TIP3 2739 9.893 2.407 -23.150 1.00 0.00 WT1 ATOM 2692 H2 TIP3 2739 10.615 3.112 -24.164 1.00 0.00 WT1 ATOM 2693 OH2 TIP3 2740 3.327 -4.114 -24.521 1.00 0.00 WT1 ATOM 2694 H1 TIP3 2740 2.347 -4.078 -24.387 1.00 0.00 WT1 ATOM 2695 H2 TIP3 2740 3.355 -4.518 -25.366 1.00 0.00 WT1 ATOM 2696 OH2 TIP3 2743 -12.018 -2.573 -15.595 1.00 0.00 WT1 ATOM 2697 H1 TIP3 2743 -11.675 -1.741 -15.266 1.00 0.00 WT1 ATOM 2698 H2 TIP3 2743 -12.161 -2.965 -14.701 1.00 0.00 WT1 ATOM 2699 OH2 TIP3 2747 -0.541 -9.182 11.044 1.00 0.00 WT1 ATOM 2700 H1 TIP3 2747 -1.444 -9.189 10.782 1.00 0.00 WT1 ATOM 2701 H2 TIP3 2747 -0.260 -10.057 10.722 1.00 0.00 WT1 ATOM 2702 OH2 TIP3 2748 -3.754 -16.953 3.940 1.00 0.00 WT1 ATOM 2703 H1 TIP3 2748 -3.318 -16.143 4.315 1.00 0.00 WT1 ATOM 2704 H2 TIP3 2748 -4.759 -16.879 4.269 1.00 0.00 WT1 ATOM 2705 OH2 TIP3 2749 5.450 -11.367 12.549 1.00 0.00 WT1 ATOM 2706 H1 TIP3 2749 4.839 -11.072 11.777 1.00 0.00 WT1 ATOM 2707 H2 TIP3 2749 4.769 -11.730 13.137 1.00 0.00 WT1 ATOM 2708 OH2 TIP3 2750 10.613 -9.632 12.011 1.00 0.00 WT1 ATOM 2709 H1 TIP3 2750 9.859 -9.888 12.585 1.00 0.00 WT1 ATOM 2710 H2 TIP3 2750 10.083 -8.959 11.637 1.00 0.00 WT1 ATOM 2711 OH2 TIP3 2752 -6.269 -16.619 5.019 1.00 0.00 WT1 ATOM 2712 H1 TIP3 2752 -5.940 -16.607 5.950 1.00 0.00 WT1 ATOM 2713 H2 TIP3 2752 -7.002 -15.996 5.103 1.00 0.00 WT1 ATOM 2714 OH2 TIP3 2753 -6.909 5.511 -40.610 1.00 0.00 WT1 ATOM 2715 H1 TIP3 2753 -6.471 6.097 -41.247 1.00 0.00 WT1 ATOM 2716 H2 TIP3 2753 -6.428 5.680 -39.839 1.00 0.00 WT1 ATOM 2717 OH2 TIP3 2754 -1.075 -8.179 -35.349 1.00 0.00 WT1 ATOM 2718 H1 TIP3 2754 -0.061 -8.249 -35.215 1.00 0.00 WT1 ATOM 2719 H2 TIP3 2754 -0.994 -7.705 -36.173 1.00 0.00 WT1 ATOM 2720 OH2 TIP3 2755 -13.337 6.633 -30.350 1.00 0.00 WT1 ATOM 2721 H1 TIP3 2755 -13.965 6.274 -29.683 1.00 0.00 WT1 ATOM 2722 H2 TIP3 2755 -12.551 6.804 -29.828 1.00 0.00 WT1 ATOM 2723 OH2 TIP3 2756 -0.012 -9.351 -27.775 1.00 0.00 WT1 ATOM 2724 H1 TIP3 2756 -0.521 -8.986 -28.604 1.00 0.00 WT1 ATOM 2725 H2 TIP3 2756 -0.229 -10.332 -27.795 1.00 0.00 WT1 ATOM 2726 OH2 TIP3 2758 -10.230 -0.628 -17.860 1.00 0.00 WT1 ATOM 2727 H1 TIP3 2758 -10.691 -1.334 -18.262 1.00 0.00 WT1 ATOM 2728 H2 TIP3 2758 -9.360 -0.764 -18.250 1.00 0.00 WT1 ATOM 2729 OH2 TIP3 2760 -2.572 -12.873 -17.435 1.00 0.00 WT1 ATOM 2730 H1 TIP3 2760 -3.310 -13.205 -17.964 1.00 0.00 WT1 ATOM 2731 H2 TIP3 2760 -2.864 -11.931 -17.360 1.00 0.00 WT1 ATOM 2732 OH2 TIP3 2764 -8.316 -14.289 -10.973 1.00 0.00 WT1 ATOM 2733 H1 TIP3 2764 -8.613 -14.309 -11.896 1.00 0.00 WT1 ATOM 2734 H2 TIP3 2764 -8.629 -13.416 -10.849 1.00 0.00 WT1 ATOM 2735 OH2 TIP3 2768 -4.568 11.886 -3.083 1.00 0.00 WT1 ATOM 2736 H1 TIP3 2768 -4.704 11.177 -3.749 1.00 0.00 WT1 ATOM 2737 H2 TIP3 2768 -5.384 11.731 -2.639 1.00 0.00 WT1 ATOM 2738 OH2 TIP3 2769 -12.553 4.480 8.618 1.00 0.00 WT1 ATOM 2739 H1 TIP3 2769 -12.642 3.816 9.337 1.00 0.00 WT1 ATOM 2740 H2 TIP3 2769 -13.246 4.239 7.976 1.00 0.00 WT1 ATOM 2741 OH2 TIP3 2771 9.064 1.576 -28.186 1.00 0.00 WT1 ATOM 2742 H1 TIP3 2771 9.130 1.452 -27.188 1.00 0.00 WT1 ATOM 2743 H2 TIP3 2771 8.065 1.531 -28.272 1.00 0.00 WT1 ATOM 2744 OH2 TIP3 2772 -5.776 3.347 -0.738 1.00 0.00 WT1 ATOM 2745 H1 TIP3 2772 -5.147 4.053 -1.002 1.00 0.00 WT1 ATOM 2746 H2 TIP3 2772 -5.293 2.544 -0.860 1.00 0.00 WT1 ATOM 2747 OH2 TIP3 2774 4.211 11.330 -28.066 1.00 0.00 WT1 ATOM 2748 H1 TIP3 2774 4.631 10.798 -28.816 1.00 0.00 WT1 ATOM 2749 H2 TIP3 2774 4.339 10.690 -27.315 1.00 0.00 WT1 ATOM 2750 OH2 TIP3 2777 3.245 13.556 -34.860 1.00 0.00 WT1 ATOM 2751 H1 TIP3 2777 2.272 13.374 -34.668 1.00 0.00 WT1 ATOM 2752 H2 TIP3 2777 3.188 14.243 -35.581 1.00 0.00 WT1 ATOM 2753 OH2 TIP3 2778 -16.922 -2.459 -16.981 1.00 0.00 WT1 ATOM 2754 H1 TIP3 2778 -16.830 -2.938 -16.133 1.00 0.00 WT1 ATOM 2755 H2 TIP3 2778 -17.360 -1.665 -16.653 1.00 0.00 WT1 ATOM 2756 OH2 TIP3 2779 -10.708 -9.686 -17.312 1.00 0.00 WT1 ATOM 2757 H1 TIP3 2779 -10.971 -8.775 -17.570 1.00 0.00 WT1 ATOM 2758 H2 TIP3 2779 -11.058 -9.749 -16.404 1.00 0.00 WT1 ATOM 2759 OH2 TIP3 2780 -15.532 -0.963 -30.179 1.00 0.00 WT1 ATOM 2760 H1 TIP3 2780 -16.459 -1.071 -30.430 1.00 0.00 WT1 ATOM 2761 H2 TIP3 2780 -15.032 -1.197 -30.992 1.00 0.00 WT1 ATOM 2762 OH2 TIP3 2782 8.292 -4.643 -10.612 1.00 0.00 WT1 ATOM 2763 H1 TIP3 2782 8.766 -5.308 -11.126 1.00 0.00 WT1 ATOM 2764 H2 TIP3 2782 8.426 -3.840 -11.168 1.00 0.00 WT1 ATOM 2765 OH2 TIP3 2783 10.817 -3.273 -9.267 1.00 0.00 WT1 ATOM 2766 H1 TIP3 2783 9.906 -3.075 -9.365 1.00 0.00 WT1 ATOM 2767 H2 TIP3 2783 10.851 -3.746 -8.390 1.00 0.00 WT1 ATOM 2768 OH2 TIP3 2784 -13.886 6.691 -10.951 1.00 0.00 WT1 ATOM 2769 H1 TIP3 2784 -13.408 6.456 -11.703 1.00 0.00 WT1 ATOM 2770 H2 TIP3 2784 -13.658 7.642 -10.967 1.00 0.00 WT1 ATOM 2771 OH2 TIP3 2785 2.605 13.194 0.875 1.00 0.00 WT1 ATOM 2772 H1 TIP3 2785 2.236 13.724 0.156 1.00 0.00 WT1 ATOM 2773 H2 TIP3 2785 2.584 12.293 0.587 1.00 0.00 WT1 ATOM 2774 OH2 TIP3 2789 3.895 -14.343 12.324 1.00 0.00 WT1 ATOM 2775 H1 TIP3 2789 4.241 -14.090 13.137 1.00 0.00 WT1 ATOM 2776 H2 TIP3 2789 3.760 -13.472 11.913 1.00 0.00 WT1 ATOM 2777 OH2 TIP3 2790 5.908 8.319 -13.195 1.00 0.00 WT1 ATOM 2778 H1 TIP3 2790 6.477 8.712 -13.847 1.00 0.00 WT1 ATOM 2779 H2 TIP3 2790 6.280 8.634 -12.388 1.00 0.00 WT1 ATOM 2780 OH2 TIP3 2794 -2.820 -9.603 -21.810 1.00 0.00 WT1 ATOM 2781 H1 TIP3 2794 -2.983 -10.492 -21.546 1.00 0.00 WT1 ATOM 2782 H2 TIP3 2794 -3.739 -9.395 -22.019 1.00 0.00 WT1 ATOM 2783 OH2 TIP3 2796 5.541 17.665 -27.996 1.00 0.00 WT1 ATOM 2784 H1 TIP3 2796 6.388 17.523 -28.464 1.00 0.00 WT1 ATOM 2785 H2 TIP3 2796 5.135 18.353 -28.582 1.00 0.00 WT1 ATOM 2786 OH2 TIP3 2799 9.096 11.625 -16.697 1.00 0.00 WT1 ATOM 2787 H1 TIP3 2799 9.488 10.694 -16.644 1.00 0.00 WT1 ATOM 2788 H2 TIP3 2799 9.443 12.144 -15.948 1.00 0.00 WT1 ATOM 2789 OH2 TIP3 2801 -6.532 -11.466 -22.321 1.00 0.00 WT1 ATOM 2790 H1 TIP3 2801 -7.054 -10.761 -22.664 1.00 0.00 WT1 ATOM 2791 H2 TIP3 2801 -6.848 -11.507 -21.418 1.00 0.00 WT1 ATOM 2792 OH2 TIP3 2806 -14.175 1.023 -17.416 1.00 0.00 WT1 ATOM 2793 H1 TIP3 2806 -14.220 0.065 -17.655 1.00 0.00 WT1 ATOM 2794 H2 TIP3 2806 -13.537 0.966 -16.675 1.00 0.00 WT1 ATOM 2795 OH2 TIP3 2808 0.284 9.023 5.322 1.00 0.00 WT1 ATOM 2796 H1 TIP3 2808 0.067 9.941 5.463 1.00 0.00 WT1 ATOM 2797 H2 TIP3 2808 -0.471 8.640 4.851 1.00 0.00 WT1 ATOM 2798 OH2 TIP3 2815 -1.071 -7.372 -32.570 1.00 0.00 WT1 ATOM 2799 H1 TIP3 2815 -0.991 -7.705 -33.474 1.00 0.00 WT1 ATOM 2800 H2 TIP3 2815 -1.328 -6.459 -32.792 1.00 0.00 WT1 ATOM 2801 OH2 TIP3 2819 -4.849 10.449 -29.294 1.00 0.00 WT1 ATOM 2802 H1 TIP3 2819 -4.349 10.628 -28.488 1.00 0.00 WT1 ATOM 2803 H2 TIP3 2819 -5.789 10.452 -28.963 1.00 0.00 WT1 ATOM 2804 OH2 TIP3 2821 -5.735 6.164 -33.681 1.00 0.00 WT1 ATOM 2805 H1 TIP3 2821 -6.395 5.786 -33.116 1.00 0.00 WT1 ATOM 2806 H2 TIP3 2821 -5.185 6.725 -33.074 1.00 0.00 WT1 ATOM 2807 OH2 TIP3 2829 2.706 12.760 3.632 1.00 0.00 WT1 ATOM 2808 H1 TIP3 2829 2.529 12.792 2.679 1.00 0.00 WT1 ATOM 2809 H2 TIP3 2829 3.515 12.281 3.709 1.00 0.00 WT1 ATOM 2810 OH2 TIP3 2831 -14.777 1.181 2.746 1.00 0.00 WT1 ATOM 2811 H1 TIP3 2831 -15.085 1.936 2.273 1.00 0.00 WT1 ATOM 2812 H2 TIP3 2831 -15.191 1.441 3.637 1.00 0.00 WT1 ATOM 2813 OH2 TIP3 2833 -11.078 7.400 5.605 1.00 0.00 WT1 ATOM 2814 H1 TIP3 2833 -11.212 7.040 6.517 1.00 0.00 WT1 ATOM 2815 H2 TIP3 2833 -10.498 8.186 5.789 1.00 0.00 WT1 ATOM 2816 OH2 TIP3 2834 -2.299 7.839 6.588 1.00 0.00 WT1 ATOM 2817 H1 TIP3 2834 -2.007 7.631 5.689 1.00 0.00 WT1 ATOM 2818 H2 TIP3 2834 -3.209 7.984 6.391 1.00 0.00 WT1 ATOM 2819 OH2 TIP3 2835 5.235 13.603 17.421 1.00 0.00 WT1 ATOM 2820 H1 TIP3 2835 4.521 13.409 18.034 1.00 0.00 WT1 ATOM 2821 H2 TIP3 2835 5.175 12.796 16.902 1.00 0.00 WT1 ATOM 2822 OH2 TIP3 2836 17.404 3.981 15.055 1.00 0.00 WT1 ATOM 2823 H1 TIP3 2836 17.942 3.437 14.423 1.00 0.00 WT1 ATOM 2824 H2 TIP3 2836 17.331 3.422 15.831 1.00 0.00 WT1 ATOM 2825 OH2 TIP3 2837 -4.333 2.159 18.925 1.00 0.00 WT1 ATOM 2826 H1 TIP3 2837 -3.358 2.132 18.737 1.00 0.00 WT1 ATOM 2827 H2 TIP3 2837 -4.402 2.204 19.901 1.00 0.00 WT1 ATOM 2828 OH2 TIP3 2839 13.917 0.102 -16.613 1.00 0.00 WT1 ATOM 2829 H1 TIP3 2839 13.538 -0.286 -15.810 1.00 0.00 WT1 ATOM 2830 H2 TIP3 2839 14.140 -0.694 -17.230 1.00 0.00 WT1 ATOM 2831 OH2 TIP3 2840 -9.363 6.841 -25.617 1.00 0.00 WT1 ATOM 2832 H1 TIP3 2840 -9.556 7.844 -25.694 1.00 0.00 WT1 ATOM 2833 H2 TIP3 2840 -9.783 6.683 -24.731 1.00 0.00 WT1 ATOM 2834 OH2 TIP3 2841 -1.160 9.437 -22.538 1.00 0.00 WT1 ATOM 2835 H1 TIP3 2841 -0.686 10.261 -22.622 1.00 0.00 WT1 ATOM 2836 H2 TIP3 2841 -0.402 8.808 -22.564 1.00 0.00 WT1 ATOM 2837 OH2 TIP3 2843 5.822 11.441 -32.723 1.00 0.00 WT1 ATOM 2838 H1 TIP3 2843 5.758 11.287 -33.705 1.00 0.00 WT1 ATOM 2839 H2 TIP3 2843 6.383 10.755 -32.368 1.00 0.00 WT1 ATOM 2840 OH2 TIP3 2844 -12.242 1.551 -7.470 1.00 0.00 WT1 ATOM 2841 H1 TIP3 2844 -13.138 1.567 -7.918 1.00 0.00 WT1 ATOM 2842 H2 TIP3 2844 -12.199 0.588 -7.268 1.00 0.00 WT1 ATOM 2843 OH2 TIP3 2847 9.359 6.101 0.870 1.00 0.00 WT1 ATOM 2844 H1 TIP3 2847 9.804 6.811 1.203 1.00 0.00 WT1 ATOM 2845 H2 TIP3 2847 9.979 5.438 1.216 1.00 0.00 WT1 ATOM 2846 OH2 TIP3 2851 -0.688 7.552 0.594 1.00 0.00 WT1 ATOM 2847 H1 TIP3 2851 -0.781 7.114 -0.270 1.00 0.00 WT1 ATOM 2848 H2 TIP3 2851 -1.549 7.898 0.721 1.00 0.00 WT1 ATOM 2849 OH2 TIP3 2852 -2.416 10.904 -10.556 1.00 0.00 WT1 ATOM 2850 H1 TIP3 2852 -3.272 11.284 -10.809 1.00 0.00 WT1 ATOM 2851 H2 TIP3 2852 -2.558 10.635 -9.623 1.00 0.00 WT1 ATOM 2852 OH2 TIP3 2853 2.823 11.159 -10.609 1.00 0.00 WT1 ATOM 2853 H1 TIP3 2853 2.813 10.705 -9.757 1.00 0.00 WT1 ATOM 2854 H2 TIP3 2853 1.862 11.402 -10.588 1.00 0.00 WT1 ATOM 2855 OH2 TIP3 2859 0.566 -0.161 -40.417 1.00 0.00 WT1 ATOM 2856 H1 TIP3 2859 0.384 -0.815 -41.120 1.00 0.00 WT1 ATOM 2857 H2 TIP3 2859 -0.395 0.075 -40.408 1.00 0.00 WT1 ATOM 2858 OH2 TIP3 2860 10.203 13.444 -11.218 1.00 0.00 WT1 ATOM 2859 H1 TIP3 2860 9.285 13.794 -11.305 1.00 0.00 WT1 ATOM 2860 H2 TIP3 2860 10.432 13.780 -10.333 1.00 0.00 WT1 ATOM 2861 OH2 TIP3 2863 -1.072 8.524 -16.266 1.00 0.00 WT1 ATOM 2862 H1 TIP3 2863 -0.511 8.579 -15.453 1.00 0.00 WT1 ATOM 2863 H2 TIP3 2863 -1.844 7.944 -16.016 1.00 0.00 WT1 ATOM 2864 OH2 TIP3 2865 2.943 14.492 -13.669 1.00 0.00 WT1 ATOM 2865 H1 TIP3 2865 3.828 14.166 -13.731 1.00 0.00 WT1 ATOM 2866 H2 TIP3 2865 2.633 14.507 -14.607 1.00 0.00 WT1 ATOM 2867 OH2 TIP3 2867 5.249 14.026 -16.568 1.00 0.00 WT1 ATOM 2868 H1 TIP3 2867 5.474 13.468 -17.227 1.00 0.00 WT1 ATOM 2869 H2 TIP3 2867 4.788 14.674 -17.109 1.00 0.00 WT1 ATOM 2870 OH2 TIP3 2868 -3.864 3.723 7.572 1.00 0.00 WT1 ATOM 2871 H1 TIP3 2868 -4.408 4.368 7.057 1.00 0.00 WT1 ATOM 2872 H2 TIP3 2868 -4.506 2.972 7.570 1.00 0.00 WT1 ATOM 2873 OH2 TIP3 2873 8.633 14.756 11.990 1.00 0.00 WT1 ATOM 2874 H1 TIP3 2873 8.349 15.492 12.613 1.00 0.00 WT1 ATOM 2875 H2 TIP3 2873 8.188 13.946 12.371 1.00 0.00 WT1 ATOM 2876 OH2 TIP3 2874 -16.975 1.662 -13.977 1.00 0.00 WT1 ATOM 2877 H1 TIP3 2874 -17.162 1.443 -14.888 1.00 0.00 WT1 ATOM 2878 H2 TIP3 2874 -16.282 1.064 -13.805 1.00 0.00 WT1 ATOM 2879 OH2 TIP3 2876 5.668 7.061 4.244 1.00 0.00 WT1 ATOM 2880 H1 TIP3 2876 5.928 6.099 4.193 1.00 0.00 WT1 ATOM 2881 H2 TIP3 2876 4.748 6.868 4.428 1.00 0.00 WT1 ATOM 2882 OH2 TIP3 2878 -5.998 6.017 -38.145 1.00 0.00 WT1 ATOM 2883 H1 TIP3 2878 -5.896 5.225 -37.585 1.00 0.00 WT1 ATOM 2884 H2 TIP3 2878 -5.792 6.746 -37.598 1.00 0.00 WT1 ATOM 2885 OH2 TIP3 2884 -4.948 12.758 -30.963 1.00 0.00 WT1 ATOM 2886 H1 TIP3 2884 -5.016 12.011 -30.329 1.00 0.00 WT1 ATOM 2887 H2 TIP3 2884 -4.405 13.294 -30.431 1.00 0.00 WT1 ATOM 2888 OH2 TIP3 2889 -11.630 1.364 -16.471 1.00 0.00 WT1 ATOM 2889 H1 TIP3 2889 -11.048 0.897 -17.114 1.00 0.00 WT1 ATOM 2890 H2 TIP3 2889 -11.509 0.886 -15.618 1.00 0.00 WT1 ATOM 2891 OH2 TIP3 2904 0.995 16.646 -18.398 1.00 0.00 WT1 ATOM 2892 H1 TIP3 2904 0.403 17.365 -18.730 1.00 0.00 WT1 ATOM 2893 H2 TIP3 2904 1.781 17.240 -18.441 1.00 0.00 WT1 ATOM 2894 OH2 TIP3 2907 4.179 11.060 -13.009 1.00 0.00 WT1 ATOM 2895 H1 TIP3 2907 4.706 10.371 -12.610 1.00 0.00 WT1 ATOM 2896 H2 TIP3 2907 3.498 11.394 -12.354 1.00 0.00 WT1 ATOM 2897 OH2 TIP3 2910 -6.638 14.049 -15.522 1.00 0.00 WT1 ATOM 2898 H1 TIP3 2910 -6.877 14.388 -16.472 1.00 0.00 WT1 ATOM 2899 H2 TIP3 2910 -5.632 14.289 -15.546 1.00 0.00 WT1 ATOM 2900 OH2 TIP3 2917 14.660 4.595 22.808 1.00 0.00 WT1 ATOM 2901 H1 TIP3 2917 14.734 4.014 23.582 1.00 0.00 WT1 ATOM 2902 H2 TIP3 2917 15.402 5.187 22.911 1.00 0.00 WT1 ATOM 2903 OH2 TIP3 2922 -10.761 -0.483 -33.130 1.00 0.00 WT1 ATOM 2904 H1 TIP3 2922 -10.963 0.263 -33.738 1.00 0.00 WT1 ATOM 2905 H2 TIP3 2922 -11.308 -0.230 -32.329 1.00 0.00 WT1 ATOM 2906 OH2 TIP3 2923 2.305 9.324 -17.679 1.00 0.00 WT1 ATOM 2907 H1 TIP3 2923 2.414 10.066 -17.075 1.00 0.00 WT1 ATOM 2908 H2 TIP3 2923 3.123 9.320 -18.156 1.00 0.00 WT1 ATOM 2909 OH2 TIP3 2925 -8.798 13.982 -21.606 1.00 0.00 WT1 ATOM 2910 H1 TIP3 2925 -8.078 14.527 -21.961 1.00 0.00 WT1 ATOM 2911 H2 TIP3 2925 -8.347 13.126 -21.471 1.00 0.00 WT1 ATOM 2912 OH2 TIP3 2926 -8.632 5.363 -20.632 1.00 0.00 WT1 ATOM 2913 H1 TIP3 2926 -8.856 4.843 -19.833 1.00 0.00 WT1 ATOM 2914 H2 TIP3 2926 -8.815 4.770 -21.390 1.00 0.00 WT1 ATOM 2915 OH2 TIP3 2927 6.442 12.176 -20.887 1.00 0.00 WT1 ATOM 2916 H1 TIP3 2927 5.682 12.733 -21.189 1.00 0.00 WT1 ATOM 2917 H2 TIP3 2927 7.219 12.597 -21.278 1.00 0.00 WT1 ATOM 2918 OH2 TIP3 2936 -8.909 9.606 -0.021 1.00 0.00 WT1 ATOM 2919 H1 TIP3 2936 -8.420 9.351 0.788 1.00 0.00 WT1 ATOM 2920 H2 TIP3 2936 -9.620 10.097 0.349 1.00 0.00 WT1 ATOM 2921 OH2 TIP3 2944 11.257 -5.553 -28.480 1.00 0.00 WT1 ATOM 2922 H1 TIP3 2944 10.353 -5.928 -28.530 1.00 0.00 WT1 ATOM 2923 H2 TIP3 2944 11.452 -5.336 -29.374 1.00 0.00 WT1 ATOM 2924 OH2 TIP3 2979 3.475 15.995 -26.645 1.00 0.00 WT1 ATOM 2925 H1 TIP3 2979 4.004 16.715 -27.149 1.00 0.00 WT1 ATOM 2926 H2 TIP3 2979 3.859 15.238 -27.075 1.00 0.00 WT1 ATOM 2927 OH2 TIP3 2985 2.921 -10.255 14.982 1.00 0.00 WT1 ATOM 2928 H1 TIP3 2985 2.521 -9.752 14.247 1.00 0.00 WT1 ATOM 2929 H2 TIP3 2985 2.118 -10.427 15.479 1.00 0.00 WT1 ATOM 2930 OH2 TIP3 3033 11.502 -10.555 -9.373 1.00 0.00 WT1 ATOM 2931 H1 TIP3 3033 11.135 -10.073 -8.578 1.00 0.00 WT1 ATOM 2932 H2 TIP3 3033 10.952 -11.301 -9.411 1.00 0.00 WT1 ATOM 2933 OH2 TIP3 3037 -0.512 -11.183 -14.340 1.00 0.00 WT1 ATOM 2934 H1 TIP3 3037 -0.456 -11.792 -13.625 1.00 0.00 WT1 ATOM 2935 H2 TIP3 3037 -0.276 -10.395 -13.785 1.00 0.00 WT1 ATOM 2936 OH2 TIP3 3042 11.533 -11.370 23.481 1.00 0.00 WT1 ATOM 2937 H1 TIP3 3042 10.651 -10.926 23.420 1.00 0.00 WT1 ATOM 2938 H2 TIP3 3042 11.449 -11.698 24.387 1.00 0.00 WT1 ATOM 2939 OH2 TIP3 3057 -5.346 -7.575 -12.231 1.00 0.00 WT1 ATOM 2940 H1 TIP3 3057 -4.782 -6.950 -12.778 1.00 0.00 WT1 ATOM 2941 H2 TIP3 3057 -5.777 -8.040 -12.975 1.00 0.00 WT1 ATOM 2942 OH2 TIP3 3059 -7.469 -6.082 12.525 1.00 0.00 WT1 ATOM 2943 H1 TIP3 3059 -7.038 -5.847 13.386 1.00 0.00 WT1 ATOM 2944 H2 TIP3 3059 -7.033 -6.905 12.343 1.00 0.00 WT1 ATOM 2945 OH2 TIP3 3071 0.679 -2.959 -16.127 1.00 0.00 WT1 ATOM 2946 H1 TIP3 3071 0.411 -2.615 -15.236 1.00 0.00 WT1 ATOM 2947 H2 TIP3 3071 -0.236 -2.847 -16.576 1.00 0.00 WT1 ATOM 2948 OH2 TIP3 3082 1.609 -17.129 3.672 1.00 0.00 WT1 ATOM 2949 H1 TIP3 3082 2.288 -16.799 3.026 1.00 0.00 WT1 ATOM 2950 H2 TIP3 3082 1.090 -17.505 2.958 1.00 0.00 WT1 ATOM 2951 OH2 TIP3 3102 13.883 -7.755 1.682 1.00 0.00 WT1 ATOM 2952 H1 TIP3 3102 13.974 -7.495 0.693 1.00 0.00 WT1 ATOM 2953 H2 TIP3 3102 14.686 -7.339 2.110 1.00 0.00 WT1 ATOM 2954 OH2 TIP3 3103 -6.601 -14.018 19.831 1.00 0.00 WT1 ATOM 2955 H1 TIP3 3103 -6.143 -13.954 18.980 1.00 0.00 WT1 ATOM 2956 H2 TIP3 3103 -6.248 -14.908 20.029 1.00 0.00 WT1 ATOM 2957 OH2 TIP3 3107 12.176 1.184 5.784 1.00 0.00 WT1 ATOM 2958 H1 TIP3 3107 12.871 0.581 5.436 1.00 0.00 WT1 ATOM 2959 H2 TIP3 3107 12.630 1.579 6.589 1.00 0.00 WT1 ATOM 2960 OH2 TIP3 3109 -4.876 0.574 -39.321 1.00 0.00 WT1 ATOM 2961 H1 TIP3 3109 -5.190 -0.125 -39.907 1.00 0.00 WT1 ATOM 2962 H2 TIP3 3109 -5.288 1.403 -39.639 1.00 0.00 WT1 ATOM 2963 OH2 TIP3 3111 6.136 -4.722 -24.368 1.00 0.00 WT1 ATOM 2964 H1 TIP3 3111 5.910 -4.644 -23.427 1.00 0.00 WT1 ATOM 2965 H2 TIP3 3111 5.211 -4.749 -24.648 1.00 0.00 WT1 ATOM 2966 OH2 TIP3 3112 10.126 3.812 -11.511 1.00 0.00 WT1 ATOM 2967 H1 TIP3 3112 9.511 3.238 -11.974 1.00 0.00 WT1 ATOM 2968 H2 TIP3 3112 10.830 3.828 -12.162 1.00 0.00 WT1 ATOM 2969 OH2 TIP3 3113 -5.228 -16.382 -11.287 1.00 0.00 WT1 ATOM 2970 H1 TIP3 3113 -5.185 -16.590 -10.350 1.00 0.00 WT1 ATOM 2971 H2 TIP3 3113 -6.182 -16.451 -11.463 1.00 0.00 WT1 ATOM 2972 OH2 TIP3 3115 -0.576 -12.484 -27.154 1.00 0.00 WT1 ATOM 2973 H1 TIP3 3115 -1.322 -12.283 -26.612 1.00 0.00 WT1 ATOM 2974 H2 TIP3 3115 -0.806 -12.241 -28.084 1.00 0.00 WT1 ATOM 2975 OH2 TIP3 3116 7.839 -6.441 -19.789 1.00 0.00 WT1 ATOM 2976 H1 TIP3 3116 8.381 -5.603 -19.515 1.00 0.00 WT1 ATOM 2977 H2 TIP3 3116 7.597 -6.794 -18.960 1.00 0.00 WT1 ATOM 2978 OH2 TIP3 3121 3.480 -11.839 -23.901 1.00 0.00 WT1 ATOM 2979 H1 TIP3 3121 3.091 -12.461 -24.506 1.00 0.00 WT1 ATOM 2980 H2 TIP3 3121 3.421 -12.324 -23.079 1.00 0.00 WT1 ATOM 2981 OH2 TIP3 3123 7.117 8.810 1.520 1.00 0.00 WT1 ATOM 2982 H1 TIP3 3123 6.504 8.384 0.881 1.00 0.00 WT1 ATOM 2983 H2 TIP3 3123 6.638 9.632 1.632 1.00 0.00 WT1 ATOM 2984 OH2 TIP3 3124 11.510 -8.949 -1.001 1.00 0.00 WT1 ATOM 2985 H1 TIP3 3124 11.330 -8.674 -0.094 1.00 0.00 WT1 ATOM 2986 H2 TIP3 3124 12.374 -8.509 -1.087 1.00 0.00 WT1 ATOM 2987 OH2 TIP3 3126 1.678 -18.070 8.963 1.00 0.00 WT1 ATOM 2988 H1 TIP3 3126 2.157 -17.840 8.179 1.00 0.00 WT1 ATOM 2989 H2 TIP3 3126 2.038 -17.450 9.627 1.00 0.00 WT1 ATOM 2990 OH2 TIP3 3132 16.332 -6.320 2.823 1.00 0.00 WT1 ATOM 2991 H1 TIP3 3132 16.355 -6.426 3.756 1.00 0.00 WT1 ATOM 2992 H2 TIP3 3132 16.193 -5.380 2.847 1.00 0.00 WT1 ATOM 2993 OH2 TIP3 3134 -1.421 10.411 -33.333 1.00 0.00 WT1 ATOM 2994 H1 TIP3 3134 -1.814 10.988 -32.705 1.00 0.00 WT1 ATOM 2995 H2 TIP3 3134 -1.811 9.567 -32.917 1.00 0.00 WT1 ATOM 2996 OH2 TIP3 3142 5.463 -1.953 -2.989 1.00 0.00 WT1 ATOM 2997 H1 TIP3 3142 4.705 -1.380 -2.692 1.00 0.00 WT1 ATOM 2998 H2 TIP3 3142 5.451 -2.704 -2.394 1.00 0.00 WT1 ATOM 2999 OH2 TIP3 3143 -0.288 -11.443 6.106 1.00 0.00 WT1 ATOM 3000 H1 TIP3 3143 -0.294 -12.250 6.694 1.00 0.00 WT1 ATOM 3001 H2 TIP3 3143 -1.179 -11.423 5.750 1.00 0.00 WT1 ATOM 3002 OH2 TIP3 3144 8.775 6.885 -10.860 1.00 0.00 WT1 ATOM 3003 H1 TIP3 3144 9.403 6.493 -11.514 1.00 0.00 WT1 ATOM 3004 H2 TIP3 3144 9.453 7.078 -10.132 1.00 0.00 WT1 ATOM 3005 OH2 TIP3 3146 5.218 -7.473 -0.609 1.00 0.00 WT1 ATOM 3006 H1 TIP3 3146 5.135 -8.061 -1.414 1.00 0.00 WT1 ATOM 3007 H2 TIP3 3146 5.217 -6.627 -1.056 1.00 0.00 WT1 ATOM 3008 OH2 TIP3 3148 9.240 -7.801 10.374 1.00 0.00 WT1 ATOM 3009 H1 TIP3 3148 8.664 -8.550 10.192 1.00 0.00 WT1 ATOM 3010 H2 TIP3 3148 8.654 -6.942 10.390 1.00 0.00 WT1 ATOM 3011 OH2 TIP3 3154 1.980 -7.277 -30.402 1.00 0.00 WT1 ATOM 3012 H1 TIP3 3154 1.805 -8.113 -30.812 1.00 0.00 WT1 ATOM 3013 H2 TIP3 3154 1.112 -7.149 -29.972 1.00 0.00 WT1 ATOM 3014 OH2 TIP3 3156 4.250 14.110 -28.365 1.00 0.00 WT1 ATOM 3015 H1 TIP3 3156 4.155 13.086 -28.214 1.00 0.00 WT1 ATOM 3016 H2 TIP3 3156 5.197 14.364 -28.489 1.00 0.00 WT1 ATOM 3017 OH2 TIP3 3159 7.025 -0.382 0.170 1.00 0.00 WT1 ATOM 3018 H1 TIP3 3159 6.492 0.453 -0.097 1.00 0.00 WT1 ATOM 3019 H2 TIP3 3159 7.934 -0.078 -0.075 1.00 0.00 WT1 ATOM 3020 OH2 TIP3 3160 6.768 -4.187 -5.487 1.00 0.00 WT1 ATOM 3021 H1 TIP3 3160 6.156 -4.822 -5.776 1.00 0.00 WT1 ATOM 3022 H2 TIP3 3160 6.795 -4.421 -4.541 1.00 0.00 WT1 ATOM 3023 OH2 TIP3 3161 -0.611 -11.830 -19.656 1.00 0.00 WT1 ATOM 3024 H1 TIP3 3161 -1.498 -12.168 -19.877 1.00 0.00 WT1 ATOM 3025 H2 TIP3 3161 -0.305 -11.655 -20.552 1.00 0.00 WT1 ATOM 3026 OH2 TIP3 3163 2.902 -17.639 5.986 1.00 0.00 WT1 ATOM 3027 H1 TIP3 3163 3.473 -18.256 5.447 1.00 0.00 WT1 ATOM 3028 H2 TIP3 3163 2.157 -17.522 5.285 1.00 0.00 WT1 ATOM 3029 OH2 TIP3 3167 -13.146 -8.415 -15.813 1.00 0.00 WT1 ATOM 3030 H1 TIP3 3167 -13.036 -7.419 -15.827 1.00 0.00 WT1 ATOM 3031 H2 TIP3 3167 -13.684 -8.604 -16.678 1.00 0.00 WT1 ATOM 3032 OH2 TIP3 3168 -4.153 -11.952 2.069 1.00 0.00 WT1 ATOM 3033 H1 TIP3 3168 -3.875 -12.223 1.169 1.00 0.00 WT1 ATOM 3034 H2 TIP3 3168 -4.710 -12.763 2.227 1.00 0.00 WT1 ATOM 3035 OH2 TIP3 3169 7.786 0.087 5.093 1.00 0.00 WT1 ATOM 3036 H1 TIP3 3169 8.149 -0.784 5.353 1.00 0.00 WT1 ATOM 3037 H2 TIP3 3169 8.505 0.606 4.724 1.00 0.00 WT1 ATOM 3038 OH2 TIP3 3174 16.547 -2.221 -16.262 1.00 0.00 WT1 ATOM 3039 H1 TIP3 3174 17.465 -2.443 -16.628 1.00 0.00 WT1 ATOM 3040 H2 TIP3 3174 15.952 -2.202 -16.970 1.00 0.00 WT1 ATOM 3041 OH2 TIP3 3175 7.370 -8.088 -17.496 1.00 0.00 WT1 ATOM 3042 H1 TIP3 3175 8.054 -7.595 -16.958 1.00 0.00 WT1 ATOM 3043 H2 TIP3 3175 7.166 -8.849 -16.913 1.00 0.00 WT1 ATOM 3044 OH2 TIP3 3178 5.522 13.520 -13.939 1.00 0.00 WT1 ATOM 3045 H1 TIP3 3178 5.448 13.600 -14.919 1.00 0.00 WT1 ATOM 3046 H2 TIP3 3178 5.010 12.713 -13.822 1.00 0.00 WT1 ATOM 3047 OH2 TIP3 3180 10.228 -1.950 -16.866 1.00 0.00 WT1 ATOM 3048 H1 TIP3 3180 9.362 -1.583 -17.049 1.00 0.00 WT1 ATOM 3049 H2 TIP3 3180 9.918 -2.864 -16.644 1.00 0.00 WT1 ATOM 3050 OH2 TIP3 3181 -8.245 -13.105 -27.944 1.00 0.00 WT1 ATOM 3051 H1 TIP3 3181 -8.044 -13.606 -27.118 1.00 0.00 WT1 ATOM 3052 H2 TIP3 3181 -9.201 -13.217 -27.880 1.00 0.00 WT1 ATOM 3053 OH2 TIP3 3182 6.305 15.289 -7.294 1.00 0.00 WT1 ATOM 3054 H1 TIP3 3182 6.594 14.912 -6.484 1.00 0.00 WT1 ATOM 3055 H2 TIP3 3182 5.337 15.170 -7.298 1.00 0.00 WT1 ATOM 3056 OH2 TIP3 3183 -11.648 -12.776 -23.137 1.00 0.00 WT1 ATOM 3057 H1 TIP3 3183 -12.198 -12.112 -22.731 1.00 0.00 WT1 ATOM 3058 H2 TIP3 3183 -10.983 -12.277 -23.630 1.00 0.00 WT1 ATOM 3059 OH2 TIP3 3184 -5.456 8.954 -10.166 1.00 0.00 WT1 ATOM 3060 H1 TIP3 3184 -6.374 8.983 -9.882 1.00 0.00 WT1 ATOM 3061 H2 TIP3 3184 -5.062 8.194 -9.797 1.00 0.00 WT1 ATOM 3062 OH2 TIP3 3186 10.480 -9.923 -6.686 1.00 0.00 WT1 ATOM 3063 H1 TIP3 3186 10.768 -9.007 -6.841 1.00 0.00 WT1 ATOM 3064 H2 TIP3 3186 9.510 -9.851 -6.648 1.00 0.00 WT1 ATOM 3065 OH2 TIP3 3191 -5.622 -15.489 12.544 1.00 0.00 WT1 ATOM 3066 H1 TIP3 3191 -5.120 -15.910 11.771 1.00 0.00 WT1 ATOM 3067 H2 TIP3 3191 -6.481 -15.954 12.413 1.00 0.00 WT1 ATOM 3068 OH2 TIP3 3192 -10.005 -1.503 -36.252 1.00 0.00 WT1 ATOM 3069 H1 TIP3 3192 -10.053 -0.810 -36.919 1.00 0.00 WT1 ATOM 3070 H2 TIP3 3192 -9.336 -1.217 -35.693 1.00 0.00 WT1 ATOM 3071 OH2 TIP3 3194 8.141 6.624 8.115 1.00 0.00 WT1 ATOM 3072 H1 TIP3 3194 8.237 6.835 9.056 1.00 0.00 WT1 ATOM 3073 H2 TIP3 3194 8.313 7.525 7.734 1.00 0.00 WT1 ATOM 3074 OH2 TIP3 3198 -8.666 -13.447 -21.752 1.00 0.00 WT1 ATOM 3075 H1 TIP3 3198 -8.585 -12.901 -22.584 1.00 0.00 WT1 ATOM 3076 H2 TIP3 3198 -9.580 -13.192 -21.551 1.00 0.00 WT1 ATOM 3077 OH2 TIP3 3200 8.138 -6.574 -24.363 1.00 0.00 WT1 ATOM 3078 H1 TIP3 3200 7.491 -5.847 -24.324 1.00 0.00 WT1 ATOM 3079 H2 TIP3 3200 7.932 -6.916 -25.205 1.00 0.00 WT1 ATOM 3080 OH2 TIP3 3201 6.521 9.520 -19.982 1.00 0.00 WT1 ATOM 3081 H1 TIP3 3201 7.287 9.139 -20.424 1.00 0.00 WT1 ATOM 3082 H2 TIP3 3201 6.568 10.402 -20.412 1.00 0.00 WT1 ATOM 3083 OH2 TIP3 3202 5.676 -10.078 -27.275 1.00 0.00 WT1 ATOM 3084 H1 TIP3 3202 5.292 -9.814 -26.324 1.00 0.00 WT1 ATOM 3085 H2 TIP3 3202 5.986 -10.923 -27.070 1.00 0.00 WT1 ATOM 3086 OH2 TIP3 3203 -4.857 12.104 -10.694 1.00 0.00 WT1 ATOM 3087 H1 TIP3 3203 -5.701 12.206 -10.183 1.00 0.00 WT1 ATOM 3088 H2 TIP3 3203 -5.190 12.008 -11.581 1.00 0.00 WT1 ATOM 3089 OH2 TIP3 3204 -5.594 9.845 -4.385 1.00 0.00 WT1 ATOM 3090 H1 TIP3 3204 -6.433 9.716 -4.823 1.00 0.00 WT1 ATOM 3091 H2 TIP3 3204 -5.179 8.977 -4.529 1.00 0.00 WT1 ATOM 3092 OH2 TIP3 3205 11.437 -7.342 -7.409 1.00 0.00 WT1 ATOM 3093 H1 TIP3 3205 11.527 -6.342 -7.244 1.00 0.00 WT1 ATOM 3094 H2 TIP3 3205 12.384 -7.488 -7.514 1.00 0.00 WT1 ATOM 3095 OH2 TIP3 3207 14.169 -5.297 -5.508 1.00 0.00 WT1 ATOM 3096 H1 TIP3 3207 14.100 -6.174 -5.978 1.00 0.00 WT1 ATOM 3097 H2 TIP3 3207 14.861 -4.921 -6.164 1.00 0.00 WT1 ATOM 3098 OH2 TIP3 3208 1.725 14.959 7.444 1.00 0.00 WT1 ATOM 3099 H1 TIP3 3208 1.103 15.638 7.616 1.00 0.00 WT1 ATOM 3100 H2 TIP3 3208 2.185 14.867 8.270 1.00 0.00 WT1 ATOM 3101 OH2 TIP3 3211 7.077 9.565 9.733 1.00 0.00 WT1 ATOM 3102 H1 TIP3 3211 6.783 9.527 10.711 1.00 0.00 WT1 ATOM 3103 H2 TIP3 3211 6.381 9.036 9.246 1.00 0.00 WT1 ATOM 3104 OH2 TIP3 3212 7.828 -5.647 -13.579 1.00 0.00 WT1 ATOM 3105 H1 TIP3 3212 8.713 -5.874 -13.266 1.00 0.00 WT1 ATOM 3106 H2 TIP3 3212 7.735 -6.575 -14.032 1.00 0.00 WT1 ATOM 3107 OH2 TIP3 3213 5.445 14.565 14.382 1.00 0.00 WT1 ATOM 3108 H1 TIP3 3213 5.401 14.364 15.286 1.00 0.00 WT1 ATOM 3109 H2 TIP3 3213 4.548 14.245 14.183 1.00 0.00 WT1 ATOM 3110 OH2 TIP3 3214 -14.993 -4.864 -22.097 1.00 0.00 WT1 ATOM 3111 H1 TIP3 3214 -14.121 -4.542 -22.412 1.00 0.00 WT1 ATOM 3112 H2 TIP3 3214 -15.300 -5.225 -22.949 1.00 0.00 WT1 ATOM 3113 OH2 TIP3 3218 -6.776 -2.238 -36.647 1.00 0.00 WT1 ATOM 3114 H1 TIP3 3218 -6.586 -1.731 -35.815 1.00 0.00 WT1 ATOM 3115 H2 TIP3 3218 -6.936 -3.104 -36.264 1.00 0.00 WT1 ATOM 3116 OH2 TIP3 3219 -1.784 -7.164 -18.679 1.00 0.00 WT1 ATOM 3117 H1 TIP3 3219 -2.494 -7.727 -19.058 1.00 0.00 WT1 ATOM 3118 H2 TIP3 3219 -0.975 -7.585 -19.158 1.00 0.00 WT1 ATOM 3119 OH2 TIP3 3220 3.509 9.915 -23.516 1.00 0.00 WT1 ATOM 3120 H1 TIP3 3220 3.699 9.825 -22.534 1.00 0.00 WT1 ATOM 3121 H2 TIP3 3220 2.827 9.264 -23.697 1.00 0.00 WT1 ATOM 3122 OH2 TIP3 3223 -20.968 1.504 -19.308 1.00 0.00 WT1 ATOM 3123 H1 TIP3 3223 -21.279 2.362 -19.006 1.00 0.00 WT1 ATOM 3124 H2 TIP3 3223 -21.796 1.253 -19.687 1.00 0.00 WT1 ATOM 3125 OH2 TIP3 3224 -0.969 4.108 -9.604 1.00 0.00 WT1 ATOM 3126 H1 TIP3 3224 -0.226 3.563 -9.678 1.00 0.00 WT1 ATOM 3127 H2 TIP3 3224 -1.198 4.276 -10.502 1.00 0.00 WT1 ATOM 3128 OH2 TIP3 3226 4.059 14.195 -8.349 1.00 0.00 WT1 ATOM 3129 H1 TIP3 3226 3.500 14.670 -8.981 1.00 0.00 WT1 ATOM 3130 H2 TIP3 3226 4.824 13.940 -8.860 1.00 0.00 WT1 ATOM 3131 OH2 TIP3 3228 -1.083 7.502 -2.547 1.00 0.00 WT1 ATOM 3132 H1 TIP3 3228 -1.935 7.908 -2.330 1.00 0.00 WT1 ATOM 3133 H2 TIP3 3228 -1.146 7.348 -3.504 1.00 0.00 WT1 ATOM 3134 OH2 TIP3 3229 3.492 10.223 -3.240 1.00 0.00 WT1 ATOM 3135 H1 TIP3 3229 2.633 9.987 -2.822 1.00 0.00 WT1 ATOM 3136 H2 TIP3 3229 3.412 9.932 -4.202 1.00 0.00 WT1 ATOM 3137 OH2 TIP3 3230 9.956 5.955 -5.883 1.00 0.00 WT1 ATOM 3138 H1 TIP3 3230 9.665 6.838 -5.736 1.00 0.00 WT1 ATOM 3139 H2 TIP3 3230 10.844 5.988 -5.544 1.00 0.00 WT1 ATOM 3140 OH2 TIP3 3234 -3.762 -1.784 -37.464 1.00 0.00 WT1 ATOM 3141 H1 TIP3 3234 -4.521 -2.214 -37.818 1.00 0.00 WT1 ATOM 3142 H2 TIP3 3234 -4.187 -1.162 -36.882 1.00 0.00 WT1 ATOM 3143 OH2 TIP3 3236 -4.254 4.191 -35.189 1.00 0.00 WT1 ATOM 3144 H1 TIP3 3236 -5.138 3.905 -35.419 1.00 0.00 WT1 ATOM 3145 H2 TIP3 3236 -4.482 5.007 -34.603 1.00 0.00 WT1 ATOM 3146 OH2 TIP3 3238 3.171 12.702 -31.984 1.00 0.00 WT1 ATOM 3147 H1 TIP3 3238 3.376 13.294 -32.685 1.00 0.00 WT1 ATOM 3148 H2 TIP3 3238 3.892 12.061 -32.075 1.00 0.00 WT1 ATOM 3149 OH2 TIP3 3239 2.594 14.858 -37.060 1.00 0.00 WT1 ATOM 3150 H1 TIP3 3239 2.611 15.656 -37.661 1.00 0.00 WT1 ATOM 3151 H2 TIP3 3239 2.394 14.200 -37.685 1.00 0.00 WT1 ATOM 3152 OH2 TIP3 3241 -10.458 15.203 -23.869 1.00 0.00 WT1 ATOM 3153 H1 TIP3 3241 -10.199 14.492 -23.236 1.00 0.00 WT1 ATOM 3154 H2 TIP3 3241 -9.901 15.917 -23.569 1.00 0.00 WT1 ATOM 3155 OH2 TIP3 3243 6.672 6.955 -26.798 1.00 0.00 WT1 ATOM 3156 H1 TIP3 3243 6.773 7.850 -27.108 1.00 0.00 WT1 ATOM 3157 H2 TIP3 3243 6.201 7.100 -25.903 1.00 0.00 WT1 ATOM 3158 OH2 TIP3 3244 -6.110 2.635 -40.345 1.00 0.00 WT1 ATOM 3159 H1 TIP3 3244 -6.646 3.445 -40.547 1.00 0.00 WT1 ATOM 3160 H2 TIP3 3244 -6.710 1.949 -40.680 1.00 0.00 WT1 ATOM 3161 OH2 TIP3 3245 -7.799 7.525 -12.500 1.00 0.00 WT1 ATOM 3162 H1 TIP3 3245 -7.903 6.502 -12.319 1.00 0.00 WT1 ATOM 3163 H2 TIP3 3245 -8.734 7.813 -12.755 1.00 0.00 WT1 ATOM 3164 OH2 TIP3 3249 -12.228 -5.932 17.302 1.00 0.00 WT1 ATOM 3165 H1 TIP3 3249 -12.489 -6.897 17.129 1.00 0.00 WT1 ATOM 3166 H2 TIP3 3249 -11.367 -6.053 17.751 1.00 0.00 WT1 ATOM 3167 OH2 TIP3 3250 0.088 -11.314 0.675 1.00 0.00 WT1 ATOM 3168 H1 TIP3 3250 0.126 -12.263 0.961 1.00 0.00 WT1 ATOM 3169 H2 TIP3 3250 -0.074 -10.932 1.563 1.00 0.00 WT1 ATOM 3170 OH2 TIP3 3251 -5.513 1.650 2.599 1.00 0.00 WT1 ATOM 3171 H1 TIP3 3251 -5.005 1.381 1.781 1.00 0.00 WT1 ATOM 3172 H2 TIP3 3251 -5.000 1.315 3.264 1.00 0.00 WT1 ATOM 3173 OH2 TIP3 3252 -4.335 -0.902 7.938 1.00 0.00 WT1 ATOM 3174 H1 TIP3 3252 -4.852 -1.688 8.317 1.00 0.00 WT1 ATOM 3175 H2 TIP3 3252 -3.590 -0.864 8.482 1.00 0.00 WT1 ATOM 3176 OH2 TIP3 3253 12.438 -3.276 3.103 1.00 0.00 WT1 ATOM 3177 H1 TIP3 3253 12.125 -4.168 3.334 1.00 0.00 WT1 ATOM 3178 H2 TIP3 3253 11.948 -2.760 3.770 1.00 0.00 WT1 ATOM 3179 OH2 TIP3 3254 7.006 12.814 13.174 1.00 0.00 WT1 ATOM 3180 H1 TIP3 3254 6.419 12.130 12.820 1.00 0.00 WT1 ATOM 3181 H2 TIP3 3254 6.352 13.482 13.510 1.00 0.00 WT1 ATOM 3182 OH2 TIP3 3255 6.423 2.743 2.712 1.00 0.00 WT1 ATOM 3183 H1 TIP3 3255 6.087 2.997 1.851 1.00 0.00 WT1 ATOM 3184 H2 TIP3 3255 7.394 2.561 2.446 1.00 0.00 WT1 ATOM 3185 OH2 TIP3 3256 13.473 0.611 12.131 1.00 0.00 WT1 ATOM 3186 H1 TIP3 3256 12.908 -0.198 12.209 1.00 0.00 WT1 ATOM 3187 H2 TIP3 3256 14.172 0.378 12.772 1.00 0.00 WT1 ATOM 3188 OH2 TIP3 3258 -7.114 0.925 -37.616 1.00 0.00 WT1 ATOM 3189 H1 TIP3 3258 -6.570 0.552 -36.897 1.00 0.00 WT1 ATOM 3190 H2 TIP3 3258 -6.515 0.783 -38.371 1.00 0.00 WT1 ATOM 3191 OH2 TIP3 3260 -11.515 2.243 26.724 1.00 0.00 WT1 ATOM 3192 H1 TIP3 3260 -11.466 1.559 26.045 1.00 0.00 WT1 ATOM 3193 H2 TIP3 3260 -10.644 2.108 27.149 1.00 0.00 WT1 ATOM 3194 OH2 TIP3 3263 4.679 -9.689 -24.789 1.00 0.00 WT1 ATOM 3195 H1 TIP3 3263 5.087 -9.519 -23.935 1.00 0.00 WT1 ATOM 3196 H2 TIP3 3263 4.226 -10.499 -24.506 1.00 0.00 WT1 ATOM 3197 OH2 TIP3 3264 -11.804 5.660 -2.794 1.00 0.00 WT1 ATOM 3198 H1 TIP3 3264 -10.999 5.741 -3.399 1.00 0.00 WT1 ATOM 3199 H2 TIP3 3264 -11.477 6.290 -2.134 1.00 0.00 WT1 ATOM 3200 OH2 TIP3 3265 3.698 10.064 -20.844 1.00 0.00 WT1 ATOM 3201 H1 TIP3 3265 3.001 10.689 -20.898 1.00 0.00 WT1 ATOM 3202 H2 TIP3 3265 4.129 10.564 -20.152 1.00 0.00 WT1 ATOM 3203 OH2 TIP3 3266 1.768 -10.477 -11.166 1.00 0.00 WT1 ATOM 3204 H1 TIP3 3266 2.464 -11.135 -11.125 1.00 0.00 WT1 ATOM 3205 H2 TIP3 3266 1.390 -10.818 -11.991 1.00 0.00 WT1 ATOM 3206 OH2 TIP3 3272 -9.877 5.740 -4.732 1.00 0.00 WT1 ATOM 3207 H1 TIP3 3272 -9.630 4.814 -5.063 1.00 0.00 WT1 ATOM 3208 H2 TIP3 3272 -10.034 6.144 -5.585 1.00 0.00 WT1 ATOM 3209 OH2 TIP3 3274 -10.657 -3.265 -27.301 1.00 0.00 WT1 ATOM 3210 H1 TIP3 3274 -10.519 -2.574 -27.932 1.00 0.00 WT1 ATOM 3211 H2 TIP3 3274 -9.736 -3.564 -27.149 1.00 0.00 WT1 ATOM 3212 OH2 TIP3 3280 10.019 -2.260 -29.986 1.00 0.00 WT1 ATOM 3213 H1 TIP3 3280 10.664 -1.508 -30.158 1.00 0.00 WT1 ATOM 3214 H2 TIP3 3280 9.239 -1.802 -30.342 1.00 0.00 WT1 ATOM 3215 OH2 TIP3 3282 5.167 -2.009 -28.364 1.00 0.00 WT1 ATOM 3216 H1 TIP3 3282 5.674 -1.613 -27.678 1.00 0.00 WT1 ATOM 3217 H2 TIP3 3282 4.314 -1.636 -28.073 1.00 0.00 WT1 ATOM 3218 OH2 TIP3 3283 0.555 5.420 -20.553 1.00 0.00 WT1 ATOM 3219 H1 TIP3 3283 -0.043 4.967 -19.948 1.00 0.00 WT1 ATOM 3220 H2 TIP3 3283 0.632 6.319 -20.166 1.00 0.00 WT1 ATOM 3221 OH2 TIP3 3284 7.113 12.986 -18.266 1.00 0.00 WT1 ATOM 3222 H1 TIP3 3284 7.830 12.471 -17.958 1.00 0.00 WT1 ATOM 3223 H2 TIP3 3284 7.060 12.609 -19.175 1.00 0.00 WT1 ATOM 3224 OH2 TIP3 3291 2.910 -3.274 -7.246 1.00 0.00 WT1 ATOM 3225 H1 TIP3 3291 2.183 -3.389 -7.845 1.00 0.00 WT1 ATOM 3226 H2 TIP3 3291 3.610 -3.720 -7.748 1.00 0.00 WT1 ATOM 3227 OH2 TIP3 3292 -13.407 3.502 -1.230 1.00 0.00 WT1 ATOM 3228 H1 TIP3 3292 -13.967 4.300 -1.192 1.00 0.00 WT1 ATOM 3229 H2 TIP3 3292 -12.487 3.724 -0.931 1.00 0.00 WT1 ATOM 3230 OH2 TIP3 3295 11.597 9.003 6.547 1.00 0.00 WT1 ATOM 3231 H1 TIP3 3295 12.169 9.182 7.297 1.00 0.00 WT1 ATOM 3232 H2 TIP3 3295 10.777 9.116 7.020 1.00 0.00 WT1 ATOM 3233 OH2 TIP3 3300 10.328 9.065 13.932 1.00 0.00 WT1 ATOM 3234 H1 TIP3 3300 10.791 9.198 14.794 1.00 0.00 WT1 ATOM 3235 H2 TIP3 3300 9.718 9.827 13.949 1.00 0.00 WT1 ATOM 3236 OH2 TIP3 3302 -4.067 12.584 -16.694 1.00 0.00 WT1 ATOM 3237 H1 TIP3 3302 -3.734 13.299 -16.203 1.00 0.00 WT1 ATOM 3238 H2 TIP3 3302 -4.345 11.916 -16.022 1.00 0.00 WT1 ATOM 3239 OH2 TIP3 3306 5.485 2.630 -17.440 1.00 0.00 WT1 ATOM 3240 H1 TIP3 3306 5.413 2.227 -16.585 1.00 0.00 WT1 ATOM 3241 H2 TIP3 3306 5.392 3.536 -17.122 1.00 0.00 WT1 ATOM 3242 OH2 TIP3 3307 2.130 2.723 -7.326 1.00 0.00 WT1 ATOM 3243 H1 TIP3 3307 1.796 2.910 -6.442 1.00 0.00 WT1 ATOM 3244 H2 TIP3 3307 2.978 2.303 -7.131 1.00 0.00 WT1 ATOM 3245 OH2 TIP3 3309 9.068 11.791 2.927 1.00 0.00 WT1 ATOM 3246 H1 TIP3 3309 9.818 11.316 3.392 1.00 0.00 WT1 ATOM 3247 H2 TIP3 3309 9.495 12.493 2.470 1.00 0.00 WT1 ATOM 3248 OH2 TIP3 3310 -9.948 10.243 -20.351 1.00 0.00 WT1 ATOM 3249 H1 TIP3 3310 -9.547 11.126 -20.262 1.00 0.00 WT1 ATOM 3250 H2 TIP3 3310 -9.238 9.748 -20.761 1.00 0.00 WT1 ATOM 3251 OH2 TIP3 3316 11.401 9.170 16.492 1.00 0.00 WT1 ATOM 3252 H1 TIP3 3316 10.666 9.551 16.947 1.00 0.00 WT1 ATOM 3253 H2 TIP3 3316 12.165 9.630 16.930 1.00 0.00 WT1 ATOM 3254 OH2 TIP3 3321 2.036 13.318 -39.216 1.00 0.00 WT1 ATOM 3255 H1 TIP3 3321 2.594 13.144 -39.989 1.00 0.00 WT1 ATOM 3256 H2 TIP3 3321 1.389 12.573 -39.265 1.00 0.00 WT1 ATOM 3257 OH2 TIP3 3322 -6.451 15.065 -26.037 1.00 0.00 WT1 ATOM 3258 H1 TIP3 3322 -6.247 15.718 -26.755 1.00 0.00 WT1 ATOM 3259 H2 TIP3 3322 -6.437 14.235 -26.524 1.00 0.00 WT1 ATOM 3260 OH2 TIP3 3324 2.758 9.276 11.847 1.00 0.00 WT1 ATOM 3261 H1 TIP3 3324 2.299 8.938 11.052 1.00 0.00 WT1 ATOM 3262 H2 TIP3 3324 2.463 8.716 12.569 1.00 0.00 WT1 ATOM 3263 OH2 TIP3 3326 5.434 5.474 -28.897 1.00 0.00 WT1 ATOM 3264 H1 TIP3 3326 6.277 5.103 -29.278 1.00 0.00 WT1 ATOM 3265 H2 TIP3 3326 5.900 5.785 -28.090 1.00 0.00 WT1 ATOM 3266 OH2 TIP3 3334 -2.970 3.206 2.594 1.00 0.00 WT1 ATOM 3267 H1 TIP3 3334 -3.362 2.419 2.173 1.00 0.00 WT1 ATOM 3268 H2 TIP3 3334 -3.531 3.881 2.219 1.00 0.00 WT1 ATOM 3269 OH2 TIP3 3335 -9.619 2.687 7.587 1.00 0.00 WT1 ATOM 3270 H1 TIP3 3335 -10.142 1.960 7.969 1.00 0.00 WT1 ATOM 3271 H2 TIP3 3335 -8.820 2.662 8.112 1.00 0.00 WT1 ATOM 3272 OH2 TIP3 3338 -1.739 3.566 13.613 1.00 0.00 WT1 ATOM 3273 H1 TIP3 3338 -1.792 4.488 13.897 1.00 0.00 WT1 ATOM 3274 H2 TIP3 3338 -2.471 3.667 12.980 1.00 0.00 WT1 ATOM 3275 OH2 TIP3 3341 -0.292 12.760 -28.844 1.00 0.00 WT1 ATOM 3276 H1 TIP3 3341 -0.410 13.662 -28.673 1.00 0.00 WT1 ATOM 3277 H2 TIP3 3341 0.049 12.727 -29.750 1.00 0.00 WT1 ATOM 3278 OH2 TIP3 3342 -6.765 3.817 -36.442 1.00 0.00 WT1 ATOM 3279 H1 TIP3 3342 -7.448 3.972 -35.775 1.00 0.00 WT1 ATOM 3280 H2 TIP3 3342 -7.096 2.989 -36.993 1.00 0.00 WT1 ATOM 3281 OH2 TIP3 3344 -9.570 12.843 -17.461 1.00 0.00 WT1 ATOM 3282 H1 TIP3 3344 -8.871 13.509 -17.582 1.00 0.00 WT1 ATOM 3283 H2 TIP3 3344 -10.191 13.005 -18.222 1.00 0.00 WT1 ATOM 3284 OH2 TIP3 3348 4.799 -0.739 -31.919 1.00 0.00 WT1 ATOM 3285 H1 TIP3 3348 4.582 -0.187 -32.685 1.00 0.00 WT1 ATOM 3286 H2 TIP3 3348 3.976 -0.857 -31.393 1.00 0.00 WT1 ATOM 3287 OH2 TIP3 3349 -14.155 7.496 -21.287 1.00 0.00 WT1 ATOM 3288 H1 TIP3 3349 -13.565 6.746 -21.575 1.00 0.00 WT1 ATOM 3289 H2 TIP3 3349 -14.523 7.117 -20.510 1.00 0.00 WT1 ATOM 3290 OH2 TIP3 3354 5.618 -10.531 -17.059 1.00 0.00 WT1 ATOM 3291 H1 TIP3 3354 4.782 -10.740 -16.721 1.00 0.00 WT1 ATOM 3292 H2 TIP3 3354 5.954 -11.483 -17.090 1.00 0.00 WT1 ATOM 3293 OH2 TIP3 3364 5.188 5.984 -14.821 1.00 0.00 WT1 ATOM 3294 H1 TIP3 3364 5.520 6.402 -15.693 1.00 0.00 WT1 ATOM 3295 H2 TIP3 3364 5.697 6.692 -14.314 1.00 0.00 WT1 ATOM 3296 OH2 TIP3 3365 -6.606 7.271 -26.085 1.00 0.00 WT1 ATOM 3297 H1 TIP3 3365 -6.776 7.924 -25.354 1.00 0.00 WT1 ATOM 3298 H2 TIP3 3365 -7.462 6.839 -26.178 1.00 0.00 WT1 ATOM 3299 OH2 TIP3 3382 -8.060 -1.456 -32.959 1.00 0.00 WT1 ATOM 3300 H1 TIP3 3382 -7.327 -1.223 -33.539 1.00 0.00 WT1 ATOM 3301 H2 TIP3 3382 -8.784 -0.941 -33.318 1.00 0.00 WT1 ATOM 3302 OH2 TIP3 3385 -7.798 6.093 -2.956 1.00 0.00 WT1 ATOM 3303 H1 TIP3 3385 -7.017 5.708 -3.462 1.00 0.00 WT1 ATOM 3304 H2 TIP3 3385 -8.384 6.068 -3.723 1.00 0.00 WT1 ATOM 3305 OH2 TIP3 3386 1.901 12.036 -21.558 1.00 0.00 WT1 ATOM 3306 H1 TIP3 3386 1.119 11.451 -21.301 1.00 0.00 WT1 ATOM 3307 H2 TIP3 3386 1.483 12.910 -21.628 1.00 0.00 WT1 ATOM 3308 OH2 TIP3 3408 -10.979 13.286 -19.839 1.00 0.00 WT1 ATOM 3309 H1 TIP3 3408 -11.256 12.470 -20.344 1.00 0.00 WT1 ATOM 3310 H2 TIP3 3408 -10.399 13.760 -20.473 1.00 0.00 WT1 ATOM 3311 OH2 TIP3 3440 8.012 -9.848 4.603 1.00 0.00 WT1 ATOM 3312 H1 TIP3 3440 7.977 -10.793 4.785 1.00 0.00 WT1 ATOM 3313 H2 TIP3 3440 7.232 -9.761 3.986 1.00 0.00 WT1 ATOM 3314 OH2 TIP3 3496 -4.446 -15.950 -4.445 1.00 0.00 WT1 ATOM 3315 H1 TIP3 3496 -4.116 -15.305 -5.122 1.00 0.00 WT1 ATOM 3316 H2 TIP3 3496 -4.911 -15.367 -3.783 1.00 0.00 WT1 ATOM 3317 OH2 TIP3 3497 -0.508 -15.065 -2.109 1.00 0.00 WT1 ATOM 3318 H1 TIP3 3497 0.432 -15.032 -2.282 1.00 0.00 WT1 ATOM 3319 H2 TIP3 3497 -0.792 -15.807 -2.675 1.00 0.00 WT1 ATOM 3320 OH2 TIP3 3504 6.644 -7.048 -9.361 1.00 0.00 WT1 ATOM 3321 H1 TIP3 3504 7.380 -6.590 -8.915 1.00 0.00 WT1 ATOM 3322 H2 TIP3 3504 6.510 -6.453 -10.064 1.00 0.00 WT1 ATOM 3323 OH2 TIP3 3527 -1.726 -2.866 -35.929 1.00 0.00 WT1 ATOM 3324 H1 TIP3 3527 -2.509 -2.884 -35.289 1.00 0.00 WT1 ATOM 3325 H2 TIP3 3527 -2.251 -2.527 -36.668 1.00 0.00 WT1 ATOM 3326 OH2 TIP3 3534 -3.614 -7.654 -34.722 1.00 0.00 WT1 ATOM 3327 H1 TIP3 3534 -3.468 -6.892 -35.283 1.00 0.00 WT1 ATOM 3328 H2 TIP3 3534 -2.767 -8.084 -34.655 1.00 0.00 WT1 ATOM 3329 OH2 TIP3 3543 -5.273 -14.264 2.827 1.00 0.00 WT1 ATOM 3330 H1 TIP3 3543 -6.142 -14.212 3.230 1.00 0.00 WT1 ATOM 3331 H2 TIP3 3543 -5.547 -14.792 2.013 1.00 0.00 WT1 ATOM 3332 OH2 TIP3 3544 2.199 -12.236 -13.500 1.00 0.00 WT1 ATOM 3333 H1 TIP3 3544 1.432 -12.835 -13.636 1.00 0.00 WT1 ATOM 3334 H2 TIP3 3544 2.332 -11.843 -14.404 1.00 0.00 WT1 ATOM 3335 OH2 TIP3 3546 -9.853 -8.263 10.816 1.00 0.00 WT1 ATOM 3336 H1 TIP3 3546 -10.741 -8.596 10.496 1.00 0.00 WT1 ATOM 3337 H2 TIP3 3546 -9.235 -8.534 10.110 1.00 0.00 WT1 ATOM 3338 OH2 TIP3 3548 1.063 -6.316 -25.887 1.00 0.00 WT1 ATOM 3339 H1 TIP3 3548 0.169 -6.764 -26.085 1.00 0.00 WT1 ATOM 3340 H2 TIP3 3548 1.534 -6.884 -26.486 1.00 0.00 WT1 ATOM 3341 OH2 TIP3 3554 -4.834 -7.487 -21.996 1.00 0.00 WT1 ATOM 3342 H1 TIP3 3554 -4.601 -7.190 -22.885 1.00 0.00 WT1 ATOM 3343 H2 TIP3 3554 -5.560 -6.881 -21.791 1.00 0.00 WT1 ATOM 3344 OH2 TIP3 3556 -13.280 -10.879 -19.083 1.00 0.00 WT1 ATOM 3345 H1 TIP3 3556 -13.083 -11.103 -18.181 1.00 0.00 WT1 ATOM 3346 H2 TIP3 3556 -13.697 -11.699 -19.389 1.00 0.00 WT1 ATOM 3347 OH2 TIP3 3558 -1.378 -6.577 -27.387 1.00 0.00 WT1 ATOM 3348 H1 TIP3 3558 -2.139 -6.014 -27.250 1.00 0.00 WT1 ATOM 3349 H2 TIP3 3558 -1.196 -6.371 -28.336 1.00 0.00 WT1 ATOM 3350 OH2 TIP3 3560 13.309 -5.811 7.700 1.00 0.00 WT1 ATOM 3351 H1 TIP3 3560 13.674 -6.416 8.435 1.00 0.00 WT1 ATOM 3352 H2 TIP3 3560 12.352 -6.077 7.685 1.00 0.00 WT1 ATOM 3353 OH2 TIP3 3567 4.224 -16.766 2.506 1.00 0.00 WT1 ATOM 3354 H1 TIP3 3567 4.342 -16.063 1.780 1.00 0.00 WT1 ATOM 3355 H2 TIP3 3567 5.101 -16.711 2.978 1.00 0.00 WT1 ATOM 3356 OH2 TIP3 3568 7.422 -12.868 -10.850 1.00 0.00 WT1 ATOM 3357 H1 TIP3 3568 7.088 -11.948 -10.623 1.00 0.00 WT1 ATOM 3358 H2 TIP3 3568 6.886 -13.070 -11.637 1.00 0.00 WT1 ATOM 3359 OH2 TIP3 3576 15.393 -2.675 -13.158 1.00 0.00 WT1 ATOM 3360 H1 TIP3 3576 14.588 -2.822 -13.647 1.00 0.00 WT1 ATOM 3361 H2 TIP3 3576 15.987 -2.306 -13.812 1.00 0.00 WT1 ATOM 3362 OH2 TIP3 3578 12.182 -6.258 -13.689 1.00 0.00 WT1 ATOM 3363 H1 TIP3 3578 12.435 -7.067 -14.240 1.00 0.00 WT1 ATOM 3364 H2 TIP3 3578 12.583 -5.502 -14.145 1.00 0.00 WT1 ATOM 3365 OH2 TIP3 3580 -2.667 -6.605 -10.202 1.00 0.00 WT1 ATOM 3366 H1 TIP3 3580 -2.135 -6.353 -10.969 1.00 0.00 WT1 ATOM 3367 H2 TIP3 3580 -3.079 -7.461 -10.494 1.00 0.00 WT1 ATOM 3368 OH2 TIP3 3585 2.844 -11.639 -5.044 1.00 0.00 WT1 ATOM 3369 H1 TIP3 3585 3.172 -12.592 -5.067 1.00 0.00 WT1 ATOM 3370 H2 TIP3 3585 3.055 -11.212 -5.873 1.00 0.00 WT1 ATOM 3371 OH2 TIP3 3587 -8.343 -14.590 4.865 1.00 0.00 WT1 ATOM 3372 H1 TIP3 3587 -9.290 -14.532 5.174 1.00 0.00 WT1 ATOM 3373 H2 TIP3 3587 -8.277 -13.909 4.155 1.00 0.00 WT1 ATOM 3374 OH2 TIP3 3588 14.825 1.105 9.961 1.00 0.00 WT1 ATOM 3375 H1 TIP3 3588 14.099 1.023 10.663 1.00 0.00 WT1 ATOM 3376 H2 TIP3 3588 15.602 0.774 10.389 1.00 0.00 WT1 ATOM 3377 OH2 TIP3 3592 -12.223 -0.863 -38.547 1.00 0.00 WT1 ATOM 3378 H1 TIP3 3592 -11.836 -1.664 -38.087 1.00 0.00 WT1 ATOM 3379 H2 TIP3 3592 -12.255 -0.142 -37.934 1.00 0.00 WT1 ATOM 3380 OH2 TIP3 3595 7.501 -1.529 -34.966 1.00 0.00 WT1 ATOM 3381 H1 TIP3 3595 7.511 -2.463 -34.695 1.00 0.00 WT1 ATOM 3382 H2 TIP3 3595 8.083 -1.146 -34.260 1.00 0.00 WT1 ATOM 3383 OH2 TIP3 3602 5.146 -1.300 5.490 1.00 0.00 WT1 ATOM 3384 H1 TIP3 3602 5.038 -1.496 4.536 1.00 0.00 WT1 ATOM 3385 H2 TIP3 3602 5.587 -0.472 5.391 1.00 0.00 WT1 ATOM 3386 OH2 TIP3 3603 -11.918 -6.270 -11.698 1.00 0.00 WT1 ATOM 3387 H1 TIP3 3603 -12.005 -6.820 -10.926 1.00 0.00 WT1 ATOM 3388 H2 TIP3 3603 -12.410 -6.815 -12.312 1.00 0.00 WT1 ATOM 3389 OH2 TIP3 3604 8.410 0.430 -16.592 1.00 0.00 WT1 ATOM 3390 H1 TIP3 3604 7.686 0.459 -15.910 1.00 0.00 WT1 ATOM 3391 H2 TIP3 3604 7.979 0.217 -17.417 1.00 0.00 WT1 ATOM 3392 OH2 TIP3 3606 14.276 -3.040 -3.657 1.00 0.00 WT1 ATOM 3393 H1 TIP3 3606 13.325 -2.752 -3.893 1.00 0.00 WT1 ATOM 3394 H2 TIP3 3606 14.513 -3.441 -4.559 1.00 0.00 WT1 ATOM 3395 OH2 TIP3 3608 -0.616 -9.716 2.947 1.00 0.00 WT1 ATOM 3396 H1 TIP3 3608 -1.269 -9.285 3.463 1.00 0.00 WT1 ATOM 3397 H2 TIP3 3608 0.137 -9.244 3.188 1.00 0.00 WT1 ATOM 3398 OH2 TIP3 3610 11.314 -11.036 9.406 1.00 0.00 WT1 ATOM 3399 H1 TIP3 3610 11.122 -11.016 10.356 1.00 0.00 WT1 ATOM 3400 H2 TIP3 3610 11.781 -10.177 9.189 1.00 0.00 WT1 ATOM 3401 OH2 TIP3 3615 6.251 3.167 -25.633 1.00 0.00 WT1 ATOM 3402 H1 TIP3 3615 6.871 2.422 -25.624 1.00 0.00 WT1 ATOM 3403 H2 TIP3 3615 6.560 3.750 -24.888 1.00 0.00 WT1 ATOM 3404 OH2 TIP3 3617 -4.204 10.506 -14.838 1.00 0.00 WT1 ATOM 3405 H1 TIP3 3617 -3.655 9.792 -15.111 1.00 0.00 WT1 ATOM 3406 H2 TIP3 3617 -4.661 10.014 -14.165 1.00 0.00 WT1 ATOM 3407 OH2 TIP3 3618 -6.433 -5.201 -22.198 1.00 0.00 WT1 ATOM 3408 H1 TIP3 3618 -5.608 -4.733 -22.334 1.00 0.00 WT1 ATOM 3409 H2 TIP3 3618 -6.841 -5.000 -23.063 1.00 0.00 WT1 ATOM 3410 OH2 TIP3 3620 -4.580 -8.546 -19.595 1.00 0.00 WT1 ATOM 3411 H1 TIP3 3620 -5.316 -9.096 -19.735 1.00 0.00 WT1 ATOM 3412 H2 TIP3 3620 -4.528 -8.235 -20.541 1.00 0.00 WT1 ATOM 3413 OH2 TIP3 3621 9.829 -6.670 -12.125 1.00 0.00 WT1 ATOM 3414 H1 TIP3 3621 10.732 -6.661 -12.383 1.00 0.00 WT1 ATOM 3415 H2 TIP3 3621 9.626 -7.608 -11.906 1.00 0.00 WT1 ATOM 3416 OH2 TIP3 3624 12.615 5.862 -4.429 1.00 0.00 WT1 ATOM 3417 H1 TIP3 3624 13.331 6.504 -4.389 1.00 0.00 WT1 ATOM 3418 H2 TIP3 3624 12.343 5.795 -3.567 1.00 0.00 WT1 ATOM 3419 OH2 TIP3 3625 -6.088 7.383 -0.931 1.00 0.00 WT1 ATOM 3420 H1 TIP3 3625 -6.743 7.441 -0.181 1.00 0.00 WT1 ATOM 3421 H2 TIP3 3625 -6.640 6.824 -1.646 1.00 0.00 WT1 ATOM 3422 OH2 TIP3 3629 -16.006 -4.017 9.972 1.00 0.00 WT1 ATOM 3423 H1 TIP3 3629 -15.869 -3.850 10.952 1.00 0.00 WT1 ATOM 3424 H2 TIP3 3629 -16.530 -4.832 10.069 1.00 0.00 WT1 ATOM 3425 OH2 TIP3 3633 4.800 10.953 -18.409 1.00 0.00 WT1 ATOM 3426 H1 TIP3 3633 5.144 10.902 -17.455 1.00 0.00 WT1 ATOM 3427 H2 TIP3 3633 5.375 10.292 -18.838 1.00 0.00 WT1 ATOM 3428 OH2 TIP3 3634 5.613 15.601 -21.423 1.00 0.00 WT1 ATOM 3429 H1 TIP3 3634 5.697 16.517 -21.718 1.00 0.00 WT1 ATOM 3430 H2 TIP3 3634 5.831 15.133 -22.219 1.00 0.00 WT1 ATOM 3431 OH2 TIP3 3637 6.042 13.276 -4.989 1.00 0.00 WT1 ATOM 3432 H1 TIP3 3637 6.162 13.313 -4.043 1.00 0.00 WT1 ATOM 3433 H2 TIP3 3637 5.594 12.412 -4.979 1.00 0.00 WT1 ATOM 3434 OH2 TIP3 3638 2.989 4.800 -38.855 1.00 0.00 WT1 ATOM 3435 H1 TIP3 3638 2.142 4.750 -39.310 1.00 0.00 WT1 ATOM 3436 H2 TIP3 3638 3.089 3.885 -38.799 1.00 0.00 WT1 ATOM 3437 OH2 TIP3 3639 4.917 -3.224 -30.840 1.00 0.00 WT1 ATOM 3438 H1 TIP3 3639 5.012 -2.935 -29.878 1.00 0.00 WT1 ATOM 3439 H2 TIP3 3639 4.868 -2.380 -31.346 1.00 0.00 WT1 ATOM 3440 OH2 TIP3 3641 -0.306 -5.686 -29.927 1.00 0.00 WT1 ATOM 3441 H1 TIP3 3641 -0.745 -6.116 -30.598 1.00 0.00 WT1 ATOM 3442 H2 TIP3 3641 -0.528 -4.729 -29.906 1.00 0.00 WT1 ATOM 3443 OH2 TIP3 3642 12.976 -0.710 -14.172 1.00 0.00 WT1 ATOM 3444 H1 TIP3 3642 13.286 -0.843 -13.230 1.00 0.00 WT1 ATOM 3445 H2 TIP3 3642 11.973 -0.463 -14.091 1.00 0.00 WT1 ATOM 3446 OH2 TIP3 3643 3.210 -0.180 -12.139 1.00 0.00 WT1 ATOM 3447 H1 TIP3 3643 3.543 0.469 -11.519 1.00 0.00 WT1 ATOM 3448 H2 TIP3 3643 2.790 -0.754 -11.472 1.00 0.00 WT1 ATOM 3449 OH2 TIP3 3648 -1.950 7.311 3.946 1.00 0.00 WT1 ATOM 3450 H1 TIP3 3648 -2.351 7.839 3.206 1.00 0.00 WT1 ATOM 3451 H2 TIP3 3648 -2.680 6.685 4.108 1.00 0.00 WT1 ATOM 3452 OH2 TIP3 3649 -0.441 10.572 2.297 1.00 0.00 WT1 ATOM 3453 H1 TIP3 3649 -1.258 10.175 1.952 1.00 0.00 WT1 ATOM 3454 H2 TIP3 3649 0.048 10.689 1.488 1.00 0.00 WT1 ATOM 3455 OH2 TIP3 3651 -11.285 -3.341 -37.668 1.00 0.00 WT1 ATOM 3456 H1 TIP3 3651 -11.611 -4.089 -37.149 1.00 0.00 WT1 ATOM 3457 H2 TIP3 3651 -10.798 -2.747 -37.061 1.00 0.00 WT1 ATOM 3458 OH2 TIP3 3653 2.002 -7.152 -23.616 1.00 0.00 WT1 ATOM 3459 H1 TIP3 3653 1.686 -7.952 -24.112 1.00 0.00 WT1 ATOM 3460 H2 TIP3 3653 1.620 -6.461 -24.245 1.00 0.00 WT1 ATOM 3461 OH2 TIP3 3655 -6.954 8.384 17.789 1.00 0.00 WT1 ATOM 3462 H1 TIP3 3655 -6.484 8.741 18.591 1.00 0.00 WT1 ATOM 3463 H2 TIP3 3655 -7.787 7.990 18.190 1.00 0.00 WT1 ATOM 3464 OH2 TIP3 3656 -12.336 -11.836 8.065 1.00 0.00 WT1 ATOM 3465 H1 TIP3 3656 -12.265 -12.655 8.565 1.00 0.00 WT1 ATOM 3466 H2 TIP3 3656 -12.618 -11.194 8.750 1.00 0.00 WT1 ATOM 3467 OH2 TIP3 3658 7.779 11.305 -6.057 1.00 0.00 WT1 ATOM 3468 H1 TIP3 3658 7.504 12.133 -5.760 1.00 0.00 WT1 ATOM 3469 H2 TIP3 3658 7.879 11.440 -7.055 1.00 0.00 WT1 ATOM 3470 OH2 TIP3 3661 -13.838 -1.640 -22.970 1.00 0.00 WT1 ATOM 3471 H1 TIP3 3661 -13.318 -2.467 -22.843 1.00 0.00 WT1 ATOM 3472 H2 TIP3 3661 -13.513 -1.301 -23.856 1.00 0.00 WT1 ATOM 3473 OH2 TIP3 3662 -15.142 -2.411 -20.580 1.00 0.00 WT1 ATOM 3474 H1 TIP3 3662 -15.221 -3.193 -21.196 1.00 0.00 WT1 ATOM 3475 H2 TIP3 3662 -14.272 -2.132 -20.924 1.00 0.00 WT1 ATOM 3476 OH2 TIP3 3665 -11.851 -4.759 -25.333 1.00 0.00 WT1 ATOM 3477 H1 TIP3 3665 -11.536 -4.113 -25.925 1.00 0.00 WT1 ATOM 3478 H2 TIP3 3665 -11.997 -5.437 -26.007 1.00 0.00 WT1 ATOM 3479 OH2 TIP3 3666 -8.069 -5.482 3.439 1.00 0.00 WT1 ATOM 3480 H1 TIP3 3666 -8.917 -5.890 3.686 1.00 0.00 WT1 ATOM 3481 H2 TIP3 3666 -8.206 -5.669 2.497 1.00 0.00 WT1 ATOM 3482 OH2 TIP3 3668 6.392 5.756 -11.437 1.00 0.00 WT1 ATOM 3483 H1 TIP3 3668 7.225 6.276 -11.308 1.00 0.00 WT1 ATOM 3484 H2 TIP3 3668 6.642 4.965 -11.919 1.00 0.00 WT1 ATOM 3485 OH2 TIP3 3670 7.871 -5.525 10.499 1.00 0.00 WT1 ATOM 3486 H1 TIP3 3670 7.904 -4.808 11.186 1.00 0.00 WT1 ATOM 3487 H2 TIP3 3670 6.995 -5.237 10.056 1.00 0.00 WT1 ATOM 3488 OH2 TIP3 3672 13.335 4.744 -1.066 1.00 0.00 WT1 ATOM 3489 H1 TIP3 3672 14.169 4.175 -1.108 1.00 0.00 WT1 ATOM 3490 H2 TIP3 3672 13.149 4.673 -0.140 1.00 0.00 WT1 ATOM 3491 OH2 TIP3 3677 -3.750 -8.387 -38.066 1.00 0.00 WT1 ATOM 3492 H1 TIP3 3677 -4.451 -8.236 -38.673 1.00 0.00 WT1 ATOM 3493 H2 TIP3 3677 -3.183 -8.954 -38.564 1.00 0.00 WT1 ATOM 3494 OH2 TIP3 3678 4.179 -8.140 -32.903 1.00 0.00 WT1 ATOM 3495 H1 TIP3 3678 4.788 -8.869 -32.805 1.00 0.00 WT1 ATOM 3496 H2 TIP3 3678 4.292 -7.672 -32.032 1.00 0.00 WT1 ATOM 3497 OH2 TIP3 3680 5.513 -13.480 -17.420 1.00 0.00 WT1 ATOM 3498 H1 TIP3 3680 4.636 -13.517 -17.060 1.00 0.00 WT1 ATOM 3499 H2 TIP3 3680 5.345 -13.531 -18.370 1.00 0.00 WT1 ATOM 3500 OH2 TIP3 3685 -1.620 4.562 -18.384 1.00 0.00 WT1 ATOM 3501 H1 TIP3 3685 -2.517 4.737 -18.086 1.00 0.00 WT1 ATOM 3502 H2 TIP3 3685 -1.223 4.815 -17.561 1.00 0.00 WT1 ATOM 3503 OH2 TIP3 3692 8.939 11.297 14.223 1.00 0.00 WT1 ATOM 3504 H1 TIP3 3692 8.054 11.617 14.010 1.00 0.00 WT1 ATOM 3505 H2 TIP3 3692 9.047 11.710 15.079 1.00 0.00 WT1 ATOM 3506 OH2 TIP3 3696 6.309 -16.435 29.702 1.00 0.00 WT1 ATOM 3507 H1 TIP3 3696 6.628 -17.328 29.588 1.00 0.00 WT1 ATOM 3508 H2 TIP3 3696 6.180 -16.083 28.805 1.00 0.00 WT1 ATOM 3509 OH2 TIP3 3698 8.799 12.973 -22.668 1.00 0.00 WT1 ATOM 3510 H1 TIP3 3698 8.404 13.309 -23.541 1.00 0.00 WT1 ATOM 3511 H2 TIP3 3698 9.351 12.185 -22.981 1.00 0.00 WT1 ATOM 3512 OH2 TIP3 3700 11.918 -5.343 -20.780 1.00 0.00 WT1 ATOM 3513 H1 TIP3 3700 11.646 -5.375 -21.688 1.00 0.00 WT1 ATOM 3514 H2 TIP3 3700 12.324 -4.487 -20.728 1.00 0.00 WT1 ATOM 3515 OH2 TIP3 3702 -10.415 8.133 -12.465 1.00 0.00 WT1 ATOM 3516 H1 TIP3 3702 -10.852 7.436 -12.071 1.00 0.00 WT1 ATOM 3517 H2 TIP3 3702 -11.216 8.574 -12.834 1.00 0.00 WT1 ATOM 3518 OH2 TIP3 3706 4.699 7.353 -21.854 1.00 0.00 WT1 ATOM 3519 H1 TIP3 3706 4.332 6.513 -21.492 1.00 0.00 WT1 ATOM 3520 H2 TIP3 3706 4.515 7.997 -21.177 1.00 0.00 WT1 ATOM 3521 OH2 TIP3 3707 -1.993 8.017 -9.464 1.00 0.00 WT1 ATOM 3522 H1 TIP3 3707 -2.815 8.333 -9.109 1.00 0.00 WT1 ATOM 3523 H2 TIP3 3707 -2.084 7.928 -10.439 1.00 0.00 WT1 ATOM 3524 OH2 TIP3 3711 1.993 0.869 -3.512 1.00 0.00 WT1 ATOM 3525 H1 TIP3 3711 1.826 1.528 -4.210 1.00 0.00 WT1 ATOM 3526 H2 TIP3 3711 1.960 0.002 -4.055 1.00 0.00 WT1 ATOM 3527 OH2 TIP3 3716 -4.645 9.372 3.073 1.00 0.00 WT1 ATOM 3528 H1 TIP3 3716 -5.294 8.750 3.500 1.00 0.00 WT1 ATOM 3529 H2 TIP3 3716 -4.760 10.154 3.604 1.00 0.00 WT1 ATOM 3530 OH2 TIP3 3717 7.011 -4.128 3.378 1.00 0.00 WT1 ATOM 3531 H1 TIP3 3717 7.539 -4.496 2.629 1.00 0.00 WT1 ATOM 3532 H2 TIP3 3717 7.040 -4.911 3.942 1.00 0.00 WT1 ATOM 3533 OH2 TIP3 3722 -0.401 9.814 -37.365 1.00 0.00 WT1 ATOM 3534 H1 TIP3 3722 -1.215 10.345 -37.388 1.00 0.00 WT1 ATOM 3535 H2 TIP3 3722 -0.117 9.592 -36.476 1.00 0.00 WT1 ATOM 3536 OH2 TIP3 3723 -12.030 8.906 -33.752 1.00 0.00 WT1 ATOM 3537 H1 TIP3 3723 -11.351 9.610 -33.642 1.00 0.00 WT1 ATOM 3538 H2 TIP3 3723 -12.383 9.026 -34.660 1.00 0.00 WT1 ATOM 3539 OH2 TIP3 3724 6.742 12.660 -29.987 1.00 0.00 WT1 ATOM 3540 H1 TIP3 3724 7.421 12.160 -30.471 1.00 0.00 WT1 ATOM 3541 H2 TIP3 3724 6.037 12.242 -30.483 1.00 0.00 WT1 ATOM 3542 OH2 TIP3 3725 4.411 9.182 -26.317 1.00 0.00 WT1 ATOM 3543 H1 TIP3 3725 3.614 8.544 -26.309 1.00 0.00 WT1 ATOM 3544 H2 TIP3 3725 4.413 9.332 -25.391 1.00 0.00 WT1 ATOM 3545 OH2 TIP3 3726 -0.672 0.109 -8.202 1.00 0.00 WT1 ATOM 3546 H1 TIP3 3726 0.230 0.329 -8.439 1.00 0.00 WT1 ATOM 3547 H2 TIP3 3726 -0.682 -0.838 -8.639 1.00 0.00 WT1 ATOM 3548 OH2 TIP3 3728 -10.107 7.375 -34.894 1.00 0.00 WT1 ATOM 3549 H1 TIP3 3728 -9.976 7.808 -35.741 1.00 0.00 WT1 ATOM 3550 H2 TIP3 3728 -10.974 7.653 -34.575 1.00 0.00 WT1 ATOM 3551 OH2 TIP3 3729 15.112 -2.656 -10.172 1.00 0.00 WT1 ATOM 3552 H1 TIP3 3729 15.543 -1.783 -10.276 1.00 0.00 WT1 ATOM 3553 H2 TIP3 3729 15.048 -2.898 -11.084 1.00 0.00 WT1 ATOM 3554 OH2 TIP3 3731 11.408 4.604 -16.984 1.00 0.00 WT1 ATOM 3555 H1 TIP3 3731 12.095 3.993 -16.730 1.00 0.00 WT1 ATOM 3556 H2 TIP3 3731 10.660 3.990 -17.130 1.00 0.00 WT1 ATOM 3557 OH2 TIP3 3733 1.468 2.535 -9.832 1.00 0.00 WT1 ATOM 3558 H1 TIP3 3733 1.590 1.597 -9.675 1.00 0.00 WT1 ATOM 3559 H2 TIP3 3733 1.765 2.774 -8.923 1.00 0.00 WT1 ATOM 3560 OH2 TIP3 3734 -2.495 11.278 11.446 1.00 0.00 WT1 ATOM 3561 H1 TIP3 3734 -1.609 11.725 11.410 1.00 0.00 WT1 ATOM 3562 H2 TIP3 3734 -2.204 10.522 11.955 1.00 0.00 WT1 ATOM 3563 OH2 TIP3 3740 2.054 -2.736 -38.349 1.00 0.00 WT1 ATOM 3564 H1 TIP3 3740 2.803 -3.288 -37.990 1.00 0.00 WT1 ATOM 3565 H2 TIP3 3740 1.287 -3.304 -38.534 1.00 0.00 WT1 ATOM 3566 OH2 TIP3 3743 3.874 16.819 -30.299 1.00 0.00 WT1 ATOM 3567 H1 TIP3 3743 4.601 16.316 -29.830 1.00 0.00 WT1 ATOM 3568 H2 TIP3 3743 3.354 16.109 -30.758 1.00 0.00 WT1 ATOM 3569 OH2 TIP3 3749 3.720 6.417 -10.998 1.00 0.00 WT1 ATOM 3570 H1 TIP3 3749 4.609 6.467 -11.371 1.00 0.00 WT1 ATOM 3571 H2 TIP3 3749 3.624 5.449 -10.949 1.00 0.00 WT1 ATOM 3572 OH2 TIP3 3753 7.757 9.022 -15.173 1.00 0.00 WT1 ATOM 3573 H1 TIP3 3753 8.429 8.781 -15.900 1.00 0.00 WT1 ATOM 3574 H2 TIP3 3753 8.430 9.060 -14.453 1.00 0.00 WT1 ATOM 3575 OH2 TIP3 3754 1.873 14.077 16.098 1.00 0.00 WT1 ATOM 3576 H1 TIP3 3754 1.945 14.822 15.470 1.00 0.00 WT1 ATOM 3577 H2 TIP3 3754 1.082 13.529 15.871 1.00 0.00 WT1 ATOM 3578 OH2 TIP3 3759 13.360 9.355 25.970 1.00 0.00 WT1 ATOM 3579 H1 TIP3 3759 12.793 9.291 26.804 1.00 0.00 WT1 ATOM 3580 H2 TIP3 3759 13.817 10.180 26.118 1.00 0.00 WT1 ATOM 3581 OH2 TIP3 3760 -13.708 5.362 17.802 1.00 0.00 WT1 ATOM 3582 H1 TIP3 3760 -13.242 5.921 18.420 1.00 0.00 WT1 ATOM 3583 H2 TIP3 3760 -12.917 4.852 17.557 1.00 0.00 WT1 ATOM 3584 OH2 TIP3 3764 -3.355 7.369 -15.378 1.00 0.00 WT1 ATOM 3585 H1 TIP3 3764 -4.267 7.518 -15.109 1.00 0.00 WT1 ATOM 3586 H2 TIP3 3764 -3.009 6.760 -14.722 1.00 0.00 WT1 ATOM 3587 OH2 TIP3 3770 12.147 4.201 -13.614 1.00 0.00 WT1 ATOM 3588 H1 TIP3 3770 11.691 4.064 -14.431 1.00 0.00 WT1 ATOM 3589 H2 TIP3 3770 12.858 3.539 -13.724 1.00 0.00 WT1 ATOM 3590 OH2 TIP3 3781 17.199 2.759 17.466 1.00 0.00 WT1 ATOM 3591 H1 TIP3 3781 16.854 3.400 18.172 1.00 0.00 WT1 ATOM 3592 H2 TIP3 3781 16.627 1.974 17.443 1.00 0.00 WT1 ATOM 3593 OH2 TIP3 3782 10.333 -4.965 -23.592 1.00 0.00 WT1 ATOM 3594 H1 TIP3 3782 10.906 -4.731 -24.393 1.00 0.00 WT1 ATOM 3595 H2 TIP3 3782 9.802 -5.685 -23.997 1.00 0.00 WT1 ATOM 3596 OH2 TIP3 3788 -0.402 7.121 -7.336 1.00 0.00 WT1 ATOM 3597 H1 TIP3 3788 -1.034 7.419 -7.989 1.00 0.00 WT1 ATOM 3598 H2 TIP3 3788 0.208 6.731 -7.981 1.00 0.00 WT1 ATOM 3599 OH2 TIP3 3790 -8.608 13.211 -25.289 1.00 0.00 WT1 ATOM 3600 H1 TIP3 3790 -7.906 13.819 -24.925 1.00 0.00 WT1 ATOM 3601 H2 TIP3 3790 -8.100 12.352 -25.282 1.00 0.00 WT1 ATOM 3602 OH2 TIP3 3792 -4.461 4.112 -17.844 1.00 0.00 WT1 ATOM 3603 H1 TIP3 3792 -5.073 3.588 -18.402 1.00 0.00 WT1 ATOM 3604 H2 TIP3 3792 -5.080 4.117 -17.090 1.00 0.00 WT1 ATOM 3605 OH2 TIP3 3795 -12.385 -7.586 5.635 1.00 0.00 WT1 ATOM 3606 H1 TIP3 3795 -13.144 -7.007 5.447 1.00 0.00 WT1 ATOM 3607 H2 TIP3 3795 -12.204 -7.541 6.557 1.00 0.00 WT1 ATOM 3608 OH2 TIP3 3803 3.796 3.895 0.312 1.00 0.00 WT1 ATOM 3609 H1 TIP3 3803 3.677 4.560 -0.407 1.00 0.00 WT1 ATOM 3610 H2 TIP3 3803 3.720 4.564 1.024 1.00 0.00 WT1 ATOM 3611 OH2 TIP3 3822 3.020 9.672 17.571 1.00 0.00 WT1 ATOM 3612 H1 TIP3 3822 2.982 8.640 17.742 1.00 0.00 WT1 ATOM 3613 H2 TIP3 3822 2.224 9.961 18.108 1.00 0.00 WT1 ATOM 3614 OH2 TIP3 3829 10.941 -0.982 -20.131 1.00 0.00 WT1 ATOM 3615 H1 TIP3 3829 10.124 -0.571 -19.820 1.00 0.00 WT1 ATOM 3616 H2 TIP3 3829 11.604 -0.382 -19.777 1.00 0.00 WT1 ATOM 3617 OH2 TIP3 3852 -5.171 12.353 -19.318 1.00 0.00 WT1 ATOM 3618 H1 TIP3 3852 -4.564 12.222 -18.524 1.00 0.00 WT1 ATOM 3619 H2 TIP3 3852 -5.864 11.706 -19.130 1.00 0.00 WT1 ATOM 3620 OH2 TIP3 3872 6.799 3.681 -5.400 1.00 0.00 WT1 ATOM 3621 H1 TIP3 3872 7.216 3.718 -4.509 1.00 0.00 WT1 ATOM 3622 H2 TIP3 3872 6.131 4.294 -5.107 1.00 0.00 WT1 ATOM 3623 OH2 TIP3 3892 12.554 -2.917 -17.394 1.00 0.00 WT1 ATOM 3624 H1 TIP3 3892 12.228 -3.836 -17.405 1.00 0.00 WT1 ATOM 3625 H2 TIP3 3892 11.644 -2.525 -17.380 1.00 0.00 WT1 ATOM 3626 OH2 TIP3 3919 3.570 -6.348 -35.654 1.00 0.00 WT1 ATOM 3627 H1 TIP3 3919 4.418 -6.352 -35.131 1.00 0.00 WT1 ATOM 3628 H2 TIP3 3919 3.599 -5.558 -36.258 1.00 0.00 WT1 ATOM 3629 OH2 TIP3 3935 -3.090 -10.974 -27.247 1.00 0.00 WT1 ATOM 3630 H1 TIP3 3935 -2.809 -11.211 -28.123 1.00 0.00 WT1 ATOM 3631 H2 TIP3 3935 -4.003 -11.365 -27.217 1.00 0.00 WT1 ATOM 3632 OH2 TIP3 3938 10.859 6.785 -13.327 1.00 0.00 WT1 ATOM 3633 H1 TIP3 3938 11.278 5.908 -13.327 1.00 0.00 WT1 ATOM 3634 H2 TIP3 3938 10.308 6.690 -14.140 1.00 0.00 WT1 ATOM 3635 OH2 TIP3 3943 -0.025 -12.335 -5.549 1.00 0.00 WT1 ATOM 3636 H1 TIP3 3943 0.902 -12.258 -5.703 1.00 0.00 WT1 ATOM 3637 H2 TIP3 3943 -0.251 -12.009 -6.438 1.00 0.00 WT1 ATOM 3638 OH2 TIP3 3950 -1.264 -18.315 12.145 1.00 0.00 WT1 ATOM 3639 H1 TIP3 3950 -1.940 -18.691 11.647 1.00 0.00 WT1 ATOM 3640 H2 TIP3 3950 -1.263 -17.394 11.710 1.00 0.00 WT1 ATOM 3641 OH2 TIP3 3976 -11.474 -1.303 -30.050 1.00 0.00 WT1 ATOM 3642 H1 TIP3 3976 -11.729 -1.743 -30.881 1.00 0.00 WT1 ATOM 3643 H2 TIP3 3976 -10.566 -1.748 -29.917 1.00 0.00 WT1 ATOM 3644 OH2 TIP3 3982 9.838 1.551 -19.466 1.00 0.00 WT1 ATOM 3645 H1 TIP3 3982 9.658 2.185 -18.768 1.00 0.00 WT1 ATOM 3646 H2 TIP3 3982 10.639 1.981 -19.738 1.00 0.00 WT1 ATOM 3647 OH2 TIP3 3983 -4.163 -9.482 -1.056 1.00 0.00 WT1 ATOM 3648 H1 TIP3 3983 -3.903 -8.565 -1.016 1.00 0.00 WT1 ATOM 3649 H2 TIP3 3983 -3.293 -9.946 -1.163 1.00 0.00 WT1 ATOM 3650 OH2 TIP3 3989 11.486 -5.340 0.712 1.00 0.00 WT1 ATOM 3651 H1 TIP3 3989 11.734 -4.446 0.572 1.00 0.00 WT1 ATOM 3652 H2 TIP3 3989 12.019 -5.829 0.091 1.00 0.00 WT1 ATOM 3653 OH2 TIP3 3990 2.769 -16.415 10.967 1.00 0.00 WT1 ATOM 3654 H1 TIP3 3990 2.374 -16.843 11.763 1.00 0.00 WT1 ATOM 3655 H2 TIP3 3990 3.270 -15.678 11.438 1.00 0.00 WT1 ATOM 3656 OH2 TIP3 3995 0.250 -6.050 -17.170 1.00 0.00 WT1 ATOM 3657 H1 TIP3 3995 -0.302 -6.528 -17.823 1.00 0.00 WT1 ATOM 3658 H2 TIP3 3995 -0.178 -5.131 -17.123 1.00 0.00 WT1 ATOM 3659 OH2 TIP3 4000 -1.391 -3.070 -18.090 1.00 0.00 WT1 ATOM 3660 H1 TIP3 4000 -1.960 -3.665 -18.498 1.00 0.00 WT1 ATOM 3661 H2 TIP3 4000 -0.706 -3.160 -18.763 1.00 0.00 WT1 ATOM 3662 OH2 TIP3 4004 2.071 -4.171 -28.006 1.00 0.00 WT1 ATOM 3663 H1 TIP3 4004 1.457 -3.699 -28.617 1.00 0.00 WT1 ATOM 3664 H2 TIP3 4004 1.575 -4.038 -27.201 1.00 0.00 WT1 ATOM 3665 OH2 TIP3 4006 5.537 -13.780 4.309 1.00 0.00 WT1 ATOM 3666 H1 TIP3 4006 4.858 -14.097 4.905 1.00 0.00 WT1 ATOM 3667 H2 TIP3 4006 5.075 -13.239 3.597 1.00 0.00 WT1 ATOM 3668 OH2 TIP3 4010 14.435 -1.721 -18.833 1.00 0.00 WT1 ATOM 3669 H1 TIP3 4010 14.512 -2.257 -19.622 1.00 0.00 WT1 ATOM 3670 H2 TIP3 4010 13.658 -2.119 -18.451 1.00 0.00 WT1 ATOM 3671 OH2 TIP3 4013 3.051 -11.782 -16.330 1.00 0.00 WT1 ATOM 3672 H1 TIP3 4013 2.266 -12.195 -16.831 1.00 0.00 WT1 ATOM 3673 H2 TIP3 4013 2.886 -10.888 -16.676 1.00 0.00 WT1 ATOM 3674 OH2 TIP3 4016 9.099 0.715 -32.543 1.00 0.00 WT1 ATOM 3675 H1 TIP3 4016 9.085 1.603 -32.276 1.00 0.00 WT1 ATOM 3676 H2 TIP3 4016 8.766 0.147 -31.796 1.00 0.00 WT1 ATOM 3677 OH2 TIP3 4019 1.641 -6.241 -9.925 1.00 0.00 WT1 ATOM 3678 H1 TIP3 4019 1.519 -7.014 -9.347 1.00 0.00 WT1 ATOM 3679 H2 TIP3 4019 1.117 -5.545 -9.455 1.00 0.00 WT1 ATOM 3680 OH2 TIP3 4026 13.966 -9.479 -9.063 1.00 0.00 WT1 ATOM 3681 H1 TIP3 4026 14.381 -10.314 -9.273 1.00 0.00 WT1 ATOM 3682 H2 TIP3 4026 12.963 -9.651 -9.136 1.00 0.00 WT1 ATOM 3683 OH2 TIP3 4027 -5.803 -16.639 7.716 1.00 0.00 WT1 ATOM 3684 H1 TIP3 4027 -5.150 -15.970 7.947 1.00 0.00 WT1 ATOM 3685 H2 TIP3 4027 -6.578 -16.204 8.196 1.00 0.00 WT1 ATOM 3686 OH2 TIP3 4032 13.265 3.804 1.357 1.00 0.00 WT1 ATOM 3687 H1 TIP3 4032 13.461 2.828 1.322 1.00 0.00 WT1 ATOM 3688 H2 TIP3 4032 13.871 4.036 2.100 1.00 0.00 WT1 ATOM 3689 OH2 TIP3 4033 -0.488 8.812 -26.542 1.00 0.00 WT1 ATOM 3690 H1 TIP3 4033 -0.677 9.125 -27.456 1.00 0.00 WT1 ATOM 3691 H2 TIP3 4033 0.304 8.317 -26.794 1.00 0.00 WT1 ATOM 3692 OH2 TIP3 4034 9.823 -11.363 -1.353 1.00 0.00 WT1 ATOM 3693 H1 TIP3 4034 10.393 -10.569 -1.426 1.00 0.00 WT1 ATOM 3694 H2 TIP3 4034 9.663 -11.331 -0.437 1.00 0.00 WT1 ATOM 3695 OH2 TIP3 4038 7.033 8.391 -9.480 1.00 0.00 WT1 ATOM 3696 H1 TIP3 4038 7.812 7.890 -9.878 1.00 0.00 WT1 ATOM 3697 H2 TIP3 4038 7.114 9.259 -9.842 1.00 0.00 WT1 ATOM 3698 OH2 TIP3 4043 7.929 -7.048 -4.793 1.00 0.00 WT1 ATOM 3699 H1 TIP3 4043 7.613 -6.496 -4.075 1.00 0.00 WT1 ATOM 3700 H2 TIP3 4043 8.903 -6.915 -4.658 1.00 0.00 WT1 ATOM 3701 OH2 TIP3 4045 -15.907 1.469 5.593 1.00 0.00 WT1 ATOM 3702 H1 TIP3 4045 -16.809 1.565 5.718 1.00 0.00 WT1 ATOM 3703 H2 TIP3 4045 -15.712 0.584 5.860 1.00 0.00 WT1 ATOM 3704 OH2 TIP3 4046 -0.874 -1.577 -14.112 1.00 0.00 WT1 ATOM 3705 H1 TIP3 4046 -0.406 -0.754 -13.920 1.00 0.00 WT1 ATOM 3706 H2 TIP3 4046 -1.171 -1.761 -13.178 1.00 0.00 WT1 ATOM 3707 OH2 TIP3 4047 3.213 -3.575 -16.349 1.00 0.00 WT1 ATOM 3708 H1 TIP3 4047 2.254 -3.437 -16.388 1.00 0.00 WT1 ATOM 3709 H2 TIP3 4047 3.372 -4.440 -16.806 1.00 0.00 WT1 ATOM 3710 OH2 TIP3 4052 5.759 -5.447 -11.868 1.00 0.00 WT1 ATOM 3711 H1 TIP3 4052 6.587 -5.640 -12.355 1.00 0.00 WT1 ATOM 3712 H2 TIP3 4052 5.271 -4.848 -12.433 1.00 0.00 WT1 ATOM 3713 OH2 TIP3 4054 5.830 -0.431 -26.129 1.00 0.00 WT1 ATOM 3714 H1 TIP3 4054 5.030 -0.711 -25.718 1.00 0.00 WT1 ATOM 3715 H2 TIP3 4054 6.476 -0.592 -25.413 1.00 0.00 WT1 ATOM 3716 OH2 TIP3 4056 9.507 3.316 -31.874 1.00 0.00 WT1 ATOM 3717 H1 TIP3 4056 9.385 3.792 -32.693 1.00 0.00 WT1 ATOM 3718 H2 TIP3 4056 8.668 3.628 -31.362 1.00 0.00 WT1 ATOM 3719 OH2 TIP3 4063 5.351 9.016 -7.259 1.00 0.00 WT1 ATOM 3720 H1 TIP3 4063 4.599 9.255 -7.723 1.00 0.00 WT1 ATOM 3721 H2 TIP3 4063 5.958 8.770 -8.050 1.00 0.00 WT1 ATOM 3722 OH2 TIP3 4066 -7.470 12.358 -9.521 1.00 0.00 WT1 ATOM 3723 H1 TIP3 4066 -7.875 12.810 -10.229 1.00 0.00 WT1 ATOM 3724 H2 TIP3 4066 -8.015 11.507 -9.555 1.00 0.00 WT1 ATOM 3725 OH2 TIP3 4067 -10.142 -10.751 2.839 1.00 0.00 WT1 ATOM 3726 H1 TIP3 4067 -10.501 -10.264 3.580 1.00 0.00 WT1 ATOM 3727 H2 TIP3 4067 -10.122 -10.100 2.082 1.00 0.00 WT1 ATOM 3728 OH2 TIP3 4068 14.817 0.008 -2.378 1.00 0.00 WT1 ATOM 3729 H1 TIP3 4068 14.904 0.971 -2.279 1.00 0.00 WT1 ATOM 3730 H2 TIP3 4068 13.959 -0.097 -1.888 1.00 0.00 WT1 ATOM 3731 OH2 TIP3 4069 5.723 6.554 -2.981 1.00 0.00 WT1 ATOM 3732 H1 TIP3 4069 5.938 6.844 -3.903 1.00 0.00 WT1 ATOM 3733 H2 TIP3 4069 5.770 7.380 -2.415 1.00 0.00 WT1 ATOM 3734 OH2 TIP3 4070 -0.884 -18.892 9.135 1.00 0.00 WT1 ATOM 3735 H1 TIP3 4070 -0.967 -19.614 8.450 1.00 0.00 WT1 ATOM 3736 H2 TIP3 4070 0.129 -18.722 9.076 1.00 0.00 WT1 ATOM 3737 OH2 TIP3 4076 7.602 3.610 -30.017 1.00 0.00 WT1 ATOM 3738 H1 TIP3 4076 8.132 3.613 -29.189 1.00 0.00 WT1 ATOM 3739 H2 TIP3 4076 6.973 2.932 -29.808 1.00 0.00 WT1 ATOM 3740 OH2 TIP3 4077 -9.592 -7.031 -27.634 1.00 0.00 WT1 ATOM 3741 H1 TIP3 4077 -10.244 -7.079 -28.370 1.00 0.00 WT1 ATOM 3742 H2 TIP3 4077 -9.301 -6.086 -27.651 1.00 0.00 WT1 ATOM 3743 OH2 TIP3 4080 3.024 3.475 -11.742 1.00 0.00 WT1 ATOM 3744 H1 TIP3 4080 2.276 3.101 -11.244 1.00 0.00 WT1 ATOM 3745 H2 TIP3 4080 3.729 2.884 -11.365 1.00 0.00 WT1 ATOM 3746 OH2 TIP3 4082 -4.451 -11.015 -11.412 1.00 0.00 WT1 ATOM 3747 H1 TIP3 4082 -4.216 -11.382 -12.292 1.00 0.00 WT1 ATOM 3748 H2 TIP3 4082 -4.920 -11.801 -11.005 1.00 0.00 WT1 ATOM 3749 OH2 TIP3 4087 12.541 -9.823 2.715 1.00 0.00 WT1 ATOM 3750 H1 TIP3 4087 11.698 -9.553 2.398 1.00 0.00 WT1 ATOM 3751 H2 TIP3 4087 13.037 -9.205 2.247 1.00 0.00 WT1 ATOM 3752 OH2 TIP3 4089 -3.155 10.062 -7.962 1.00 0.00 WT1 ATOM 3753 H1 TIP3 4089 -4.132 10.033 -7.848 1.00 0.00 WT1 ATOM 3754 H2 TIP3 4089 -2.863 10.562 -7.179 1.00 0.00 WT1 ATOM 3755 OH2 TIP3 4091 5.422 13.328 0.431 1.00 0.00 WT1 ATOM 3756 H1 TIP3 4091 5.487 13.826 1.285 1.00 0.00 WT1 ATOM 3757 H2 TIP3 4091 4.420 13.161 0.466 1.00 0.00 WT1 ATOM 3758 OH2 TIP3 4095 10.258 -4.330 -2.023 1.00 0.00 WT1 ATOM 3759 H1 TIP3 4095 11.133 -4.089 -1.556 1.00 0.00 WT1 ATOM 3760 H2 TIP3 4095 9.863 -3.460 -2.166 1.00 0.00 WT1 ATOM 3761 OH2 TIP3 4096 9.614 10.754 -19.130 1.00 0.00 WT1 ATOM 3762 H1 TIP3 4096 9.510 11.392 -18.352 1.00 0.00 WT1 ATOM 3763 H2 TIP3 4096 9.436 11.348 -19.878 1.00 0.00 WT1 ATOM 3764 OH2 TIP3 4097 -3.239 16.410 -27.744 1.00 0.00 WT1 ATOM 3765 H1 TIP3 4097 -3.154 15.916 -26.887 1.00 0.00 WT1 ATOM 3766 H2 TIP3 4097 -3.184 17.318 -27.558 1.00 0.00 WT1 ATOM 3767 OH2 TIP3 4103 2.276 -9.707 -22.102 1.00 0.00 WT1 ATOM 3768 H1 TIP3 4103 2.227 -8.898 -21.632 1.00 0.00 WT1 ATOM 3769 H2 TIP3 4103 3.243 -9.906 -21.852 1.00 0.00 WT1 ATOM 3770 OH2 TIP3 4104 1.527 -9.516 -24.956 1.00 0.00 WT1 ATOM 3771 H1 TIP3 4104 2.092 -9.827 -24.213 1.00 0.00 WT1 ATOM 3772 H2 TIP3 4104 1.334 -10.371 -25.419 1.00 0.00 WT1 ATOM 3773 OH2 TIP3 4105 13.431 -3.728 -14.787 1.00 0.00 WT1 ATOM 3774 H1 TIP3 4105 13.500 -3.316 -15.681 1.00 0.00 WT1 ATOM 3775 H2 TIP3 4105 12.589 -3.376 -14.518 1.00 0.00 WT1 ATOM 3776 OH2 TIP3 4106 4.026 -3.651 -13.649 1.00 0.00 WT1 ATOM 3777 H1 TIP3 4106 3.142 -3.629 -13.278 1.00 0.00 WT1 ATOM 3778 H2 TIP3 4106 3.790 -3.784 -14.599 1.00 0.00 WT1 ATOM 3779 OH2 TIP3 4108 6.627 9.385 -4.423 1.00 0.00 WT1 ATOM 3780 H1 TIP3 4108 5.777 9.258 -4.849 1.00 0.00 WT1 ATOM 3781 H2 TIP3 4108 6.992 9.980 -5.113 1.00 0.00 WT1 ATOM 3782 OH2 TIP3 4109 3.903 -4.700 -19.377 1.00 0.00 WT1 ATOM 3783 H1 TIP3 4109 4.300 -5.322 -18.781 1.00 0.00 WT1 ATOM 3784 H2 TIP3 4109 3.705 -5.348 -20.115 1.00 0.00 WT1 ATOM 3785 OH2 TIP3 4111 4.640 -5.281 -2.048 1.00 0.00 WT1 ATOM 3786 H1 TIP3 4111 4.306 -4.444 -1.523 1.00 0.00 WT1 ATOM 3787 H2 TIP3 4111 4.186 -5.195 -2.946 1.00 0.00 WT1 ATOM 3788 OH2 TIP3 4114 4.815 11.056 15.981 1.00 0.00 WT1 ATOM 3789 H1 TIP3 4114 4.176 10.658 16.596 1.00 0.00 WT1 ATOM 3790 H2 TIP3 4114 4.570 10.628 15.154 1.00 0.00 WT1 ATOM 3791 OH2 TIP3 4116 1.854 6.734 -17.300 1.00 0.00 WT1 ATOM 3792 H1 TIP3 4116 1.918 7.696 -17.255 1.00 0.00 WT1 ATOM 3793 H2 TIP3 4116 1.302 6.608 -16.506 1.00 0.00 WT1 ATOM 3794 OH2 TIP3 4121 -9.413 -8.309 -33.546 1.00 0.00 WT1 ATOM 3795 H1 TIP3 4121 -9.113 -7.846 -34.312 1.00 0.00 WT1 ATOM 3796 H2 TIP3 4121 -8.735 -8.981 -33.567 1.00 0.00 WT1 ATOM 3797 OH2 TIP3 4122 13.796 -3.399 -23.723 1.00 0.00 WT1 ATOM 3798 H1 TIP3 4122 13.653 -4.274 -24.254 1.00 0.00 WT1 ATOM 3799 H2 TIP3 4122 14.746 -3.180 -24.019 1.00 0.00 WT1 ATOM 3800 OH2 TIP3 4127 4.417 1.572 -10.373 1.00 0.00 WT1 ATOM 3801 H1 TIP3 4127 4.647 0.851 -9.719 1.00 0.00 WT1 ATOM 3802 H2 TIP3 4127 5.244 2.167 -10.158 1.00 0.00 WT1 ATOM 3803 OH2 TIP3 4128 9.235 8.683 -5.855 1.00 0.00 WT1 ATOM 3804 H1 TIP3 4128 8.664 9.183 -5.275 1.00 0.00 WT1 ATOM 3805 H2 TIP3 4128 9.267 9.171 -6.689 1.00 0.00 WT1 ATOM 3806 OH2 TIP3 4130 10.295 5.657 4.629 1.00 0.00 WT1 ATOM 3807 H1 TIP3 4130 9.784 5.159 5.280 1.00 0.00 WT1 ATOM 3808 H2 TIP3 4130 9.626 6.289 4.335 1.00 0.00 WT1 ATOM 3809 OH2 TIP3 4132 5.066 9.460 -1.342 1.00 0.00 WT1 ATOM 3810 H1 TIP3 4132 5.887 9.969 -1.539 1.00 0.00 WT1 ATOM 3811 H2 TIP3 4132 4.607 9.624 -2.199 1.00 0.00 WT1 ATOM 3812 OH2 TIP3 4134 12.254 9.812 9.189 1.00 0.00 WT1 ATOM 3813 H1 TIP3 4134 11.497 10.493 9.103 1.00 0.00 WT1 ATOM 3814 H2 TIP3 4134 12.778 10.210 9.897 1.00 0.00 WT1 ATOM 3815 OH2 TIP3 4136 11.984 2.982 12.221 1.00 0.00 WT1 ATOM 3816 H1 TIP3 4136 12.390 2.162 11.897 1.00 0.00 WT1 ATOM 3817 H2 TIP3 4136 12.484 3.517 11.591 1.00 0.00 WT1 ATOM 3818 OH2 TIP3 4137 4.255 6.622 9.478 1.00 0.00 WT1 ATOM 3819 H1 TIP3 4137 4.235 7.356 8.767 1.00 0.00 WT1 ATOM 3820 H2 TIP3 4137 4.836 7.098 10.101 1.00 0.00 WT1 ATOM 3821 OH2 TIP3 4139 7.781 13.361 -25.243 1.00 0.00 WT1 ATOM 3822 H1 TIP3 4139 6.976 12.792 -25.170 1.00 0.00 WT1 ATOM 3823 H2 TIP3 4139 7.696 13.690 -26.129 1.00 0.00 WT1 ATOM 3824 OH2 TIP3 4140 10.251 -0.944 -26.145 1.00 0.00 WT1 ATOM 3825 H1 TIP3 4140 9.273 -0.968 -26.202 1.00 0.00 WT1 ATOM 3826 H2 TIP3 4140 10.437 -1.826 -26.582 1.00 0.00 WT1 ATOM 3827 OH2 TIP3 4141 -9.582 -7.085 -38.842 1.00 0.00 WT1 ATOM 3828 H1 TIP3 4141 -10.176 -7.031 -38.097 1.00 0.00 WT1 ATOM 3829 H2 TIP3 4141 -10.034 -7.761 -39.437 1.00 0.00 WT1 ATOM 3830 OH2 TIP3 4143 2.980 1.452 -34.250 1.00 0.00 WT1 ATOM 3831 H1 TIP3 4143 3.333 0.867 -34.942 1.00 0.00 WT1 ATOM 3832 H2 TIP3 4143 3.731 2.042 -34.006 1.00 0.00 WT1 ATOM 3833 OH2 TIP3 4145 -2.659 2.063 -3.619 1.00 0.00 WT1 ATOM 3834 H1 TIP3 4145 -1.778 2.305 -3.359 1.00 0.00 WT1 ATOM 3835 H2 TIP3 4145 -2.467 1.761 -4.510 1.00 0.00 WT1 ATOM 3836 OH2 TIP3 4146 9.541 -9.616 -11.647 1.00 0.00 WT1 ATOM 3837 H1 TIP3 4146 9.534 -9.322 -10.724 1.00 0.00 WT1 ATOM 3838 H2 TIP3 4146 10.488 -9.622 -11.850 1.00 0.00 WT1 ATOM 3839 OH2 TIP3 4150 11.067 0.201 -3.699 1.00 0.00 WT1 ATOM 3840 H1 TIP3 4150 10.123 0.391 -3.596 1.00 0.00 WT1 ATOM 3841 H2 TIP3 4150 11.316 1.056 -4.042 1.00 0.00 WT1 ATOM 3842 OH2 TIP3 4153 10.206 11.496 9.244 1.00 0.00 WT1 ATOM 3843 H1 TIP3 4153 9.444 11.974 8.906 1.00 0.00 WT1 ATOM 3844 H2 TIP3 4153 10.293 11.718 10.163 1.00 0.00 WT1 ATOM 3845 OH2 TIP3 4155 9.173 0.111 9.238 1.00 0.00 WT1 ATOM 3846 H1 TIP3 4155 10.064 0.075 9.626 1.00 0.00 WT1 ATOM 3847 H2 TIP3 4155 8.913 -0.812 9.278 1.00 0.00 WT1 ATOM 3848 OH2 TIP3 4157 -10.100 13.790 -30.024 1.00 0.00 WT1 ATOM 3849 H1 TIP3 4157 -10.124 12.887 -30.397 1.00 0.00 WT1 ATOM 3850 H2 TIP3 4157 -10.842 13.774 -29.360 1.00 0.00 WT1 ATOM 3851 OH2 TIP3 4160 10.710 12.506 11.922 1.00 0.00 WT1 ATOM 3852 H1 TIP3 4160 10.005 12.115 12.413 1.00 0.00 WT1 ATOM 3853 H2 TIP3 4160 10.454 13.448 12.009 1.00 0.00 WT1 ATOM 3854 OH2 TIP3 4162 9.410 6.446 -15.646 1.00 0.00 WT1 ATOM 3855 H1 TIP3 4162 8.903 5.662 -15.983 1.00 0.00 WT1 ATOM 3856 H2 TIP3 4162 9.316 7.048 -16.520 1.00 0.00 WT1 ATOM 3857 OH2 TIP3 4165 11.961 2.937 -20.752 1.00 0.00 WT1 ATOM 3858 H1 TIP3 4165 12.393 2.213 -20.220 1.00 0.00 WT1 ATOM 3859 H2 TIP3 4165 12.301 2.782 -21.679 1.00 0.00 WT1 ATOM 3860 OH2 TIP3 4167 11.140 11.577 -13.046 1.00 0.00 WT1 ATOM 3861 H1 TIP3 4167 10.794 11.864 -13.910 1.00 0.00 WT1 ATOM 3862 H2 TIP3 4167 10.869 12.329 -12.536 1.00 0.00 WT1 ATOM 3863 OH2 TIP3 4173 5.913 2.306 -0.630 1.00 0.00 WT1 ATOM 3864 H1 TIP3 4173 6.446 3.065 -0.549 1.00 0.00 WT1 ATOM 3865 H2 TIP3 4173 5.121 2.741 -0.315 1.00 0.00 WT1 ATOM 3866 OH2 TIP3 4174 -6.317 0.619 10.717 1.00 0.00 WT1 ATOM 3867 H1 TIP3 4174 -6.671 -0.068 11.328 1.00 0.00 WT1 ATOM 3868 H2 TIP3 4174 -5.351 0.424 10.748 1.00 0.00 WT1 ATOM 3869 OH2 TIP3 4175 -15.721 -4.499 15.536 1.00 0.00 WT1 ATOM 3870 H1 TIP3 4175 -15.823 -5.425 15.300 1.00 0.00 WT1 ATOM 3871 H2 TIP3 4175 -16.335 -4.051 14.946 1.00 0.00 WT1 ATOM 3872 OH2 TIP3 4176 4.582 9.092 8.296 1.00 0.00 WT1 ATOM 3873 H1 TIP3 4176 5.278 9.193 7.593 1.00 0.00 WT1 ATOM 3874 H2 TIP3 4176 4.235 10.022 8.287 1.00 0.00 WT1 ATOM 3875 OH2 TIP3 4177 7.473 -2.404 14.289 1.00 0.00 WT1 ATOM 3876 H1 TIP3 4177 6.820 -2.680 14.931 1.00 0.00 WT1 ATOM 3877 H2 TIP3 4177 7.606 -1.420 14.594 1.00 0.00 WT1 ATOM 3878 OH2 TIP3 4181 5.063 4.821 -34.608 1.00 0.00 WT1 ATOM 3879 H1 TIP3 4181 4.201 5.272 -34.463 1.00 0.00 WT1 ATOM 3880 H2 TIP3 4181 5.331 5.260 -35.410 1.00 0.00 WT1 ATOM 3881 OH2 TIP3 4184 -1.279 8.851 -40.112 1.00 0.00 WT1 ATOM 3882 H1 TIP3 4184 -0.355 8.845 -40.453 1.00 0.00 WT1 ATOM 3883 H2 TIP3 4184 -1.111 9.050 -39.183 1.00 0.00 WT1 ATOM 3884 OH2 TIP3 4185 7.569 4.890 -17.806 1.00 0.00 WT1 ATOM 3885 H1 TIP3 4185 8.041 4.258 -17.267 1.00 0.00 WT1 ATOM 3886 H2 TIP3 4185 7.458 4.273 -18.596 1.00 0.00 WT1 ATOM 3887 OH2 TIP3 4186 3.874 -5.979 -28.668 1.00 0.00 WT1 ATOM 3888 H1 TIP3 4186 3.079 -6.494 -28.754 1.00 0.00 WT1 ATOM 3889 H2 TIP3 4186 3.429 -5.178 -28.429 1.00 0.00 WT1 ATOM 3890 OH2 TIP3 4196 5.134 14.276 2.830 1.00 0.00 WT1 ATOM 3891 H1 TIP3 4196 5.193 15.121 3.243 1.00 0.00 WT1 ATOM 3892 H2 TIP3 4196 4.159 14.250 2.888 1.00 0.00 WT1 ATOM 3893 OH2 TIP3 4202 1.664 11.144 -27.156 1.00 0.00 WT1 ATOM 3894 H1 TIP3 4202 0.962 11.418 -27.804 1.00 0.00 WT1 ATOM 3895 H2 TIP3 4202 2.509 11.054 -27.713 1.00 0.00 WT1 ATOM 3896 OH2 TIP3 4204 11.074 9.082 1.427 1.00 0.00 WT1 ATOM 3897 H1 TIP3 4204 12.026 8.918 1.311 1.00 0.00 WT1 ATOM 3898 H2 TIP3 4204 11.114 9.424 2.364 1.00 0.00 WT1 ATOM 3899 OH2 TIP3 4219 1.888 15.034 -20.603 1.00 0.00 WT1 ATOM 3900 H1 TIP3 4219 1.084 14.768 -21.114 1.00 0.00 WT1 ATOM 3901 H2 TIP3 4219 1.536 15.653 -19.930 1.00 0.00 WT1 ATOM 3902 OH2 TIP3 4221 0.086 11.666 4.636 1.00 0.00 WT1 ATOM 3903 H1 TIP3 4221 0.966 12.080 4.439 1.00 0.00 WT1 ATOM 3904 H2 TIP3 4221 0.014 11.148 3.830 1.00 0.00 WT1 ATOM 3905 OH2 TIP3 4222 7.757 2.750 21.211 1.00 0.00 WT1 ATOM 3906 H1 TIP3 4222 7.643 1.871 20.934 1.00 0.00 WT1 ATOM 3907 H2 TIP3 4222 6.964 3.201 20.973 1.00 0.00 WT1 ATOM 3908 OH2 TIP3 4247 -2.838 12.624 -32.564 1.00 0.00 WT1 ATOM 3909 H1 TIP3 4247 -3.693 12.602 -32.169 1.00 0.00 WT1 ATOM 3910 H2 TIP3 4247 -2.287 13.230 -32.002 1.00 0.00 WT1 ATOM 3911 OH2 TIP3 4263 4.533 3.935 9.366 1.00 0.00 WT1 ATOM 3912 H1 TIP3 4263 4.834 3.949 8.471 1.00 0.00 WT1 ATOM 3913 H2 TIP3 4263 4.574 4.935 9.432 1.00 0.00 WT1 ATOM 3914 OH2 TIP3 4273 5.121 1.749 -14.919 1.00 0.00 WT1 ATOM 3915 H1 TIP3 4273 5.750 1.212 -14.380 1.00 0.00 WT1 ATOM 3916 H2 TIP3 4273 4.280 1.422 -14.597 1.00 0.00 WT1 ATOM 3917 OH2 TIP3 4287 -14.110 2.853 -30.753 1.00 0.00 WT1 ATOM 3918 H1 TIP3 4287 -13.220 3.067 -30.496 1.00 0.00 WT1 ATOM 3919 H2 TIP3 4287 -14.627 3.614 -30.505 1.00 0.00 WT1 ATOM 3920 OH2 TIP3 4315 -9.653 7.666 -8.662 1.00 0.00 WT1 ATOM 3921 H1 TIP3 4315 -8.890 7.135 -8.796 1.00 0.00 WT1 ATOM 3922 H2 TIP3 4315 -10.290 6.997 -8.925 1.00 0.00 WT1 ATOM 3923 OH2 TIP3 4323 -11.202 -6.286 -5.680 1.00 0.00 WT1 ATOM 3924 H1 TIP3 4323 -10.624 -6.905 -6.179 1.00 0.00 WT1 ATOM 3925 H2 TIP3 4323 -10.857 -6.546 -4.824 1.00 0.00 WT1 ATOM 3926 OH2 TIP3 4347 9.908 -13.608 15.422 1.00 0.00 WT1 ATOM 3927 H1 TIP3 4347 10.462 -14.031 16.075 1.00 0.00 WT1 ATOM 3928 H2 TIP3 4347 9.036 -13.933 15.672 1.00 0.00 WT1 ATOM 3929 OH2 TIP3 4386 -1.883 -10.722 21.758 1.00 0.00 WT1 ATOM 3930 H1 TIP3 4386 -1.563 -11.630 21.899 1.00 0.00 WT1 ATOM 3931 H2 TIP3 4386 -1.584 -10.232 22.556 1.00 0.00 WT1 ATOM 3932 OH2 TIP3 4396 -1.933 -3.268 -26.502 1.00 0.00 WT1 ATOM 3933 H1 TIP3 4396 -2.601 -3.871 -26.549 1.00 0.00 WT1 ATOM 3934 H2 TIP3 4396 -1.634 -3.197 -27.494 1.00 0.00 WT1 ATOM 3935 OH2 TIP3 4401 -8.907 -11.810 -0.081 1.00 0.00 WT1 ATOM 3936 H1 TIP3 4401 -8.422 -12.356 -0.731 1.00 0.00 WT1 ATOM 3937 H2 TIP3 4401 -9.829 -11.724 -0.413 1.00 0.00 WT1 ATOM 3938 OH2 TIP3 4407 -13.215 -10.067 10.363 1.00 0.00 WT1 ATOM 3939 H1 TIP3 4407 -13.029 -10.463 11.267 1.00 0.00 WT1 ATOM 3940 H2 TIP3 4407 -13.811 -9.360 10.610 1.00 0.00 WT1 ATOM 3941 OH2 TIP3 4409 3.231 -7.890 -19.850 1.00 0.00 WT1 ATOM 3942 H1 TIP3 4409 3.433 -7.363 -20.641 1.00 0.00 WT1 ATOM 3943 H2 TIP3 4409 4.089 -8.355 -19.579 1.00 0.00 WT1 ATOM 3944 OH2 TIP3 4417 9.438 -7.426 -15.556 1.00 0.00 WT1 ATOM 3945 H1 TIP3 4417 9.061 -7.999 -14.828 1.00 0.00 WT1 ATOM 3946 H2 TIP3 4417 10.385 -7.639 -15.601 1.00 0.00 WT1 ATOM 3947 OH2 TIP3 4427 4.670 -14.324 0.864 1.00 0.00 WT1 ATOM 3948 H1 TIP3 4427 4.870 -13.502 1.382 1.00 0.00 WT1 ATOM 3949 H2 TIP3 4427 5.425 -14.230 0.239 1.00 0.00 WT1 ATOM 3950 OH2 TIP3 4428 0.522 -17.157 0.809 1.00 0.00 WT1 ATOM 3951 H1 TIP3 4428 0.145 -17.433 -0.006 1.00 0.00 WT1 ATOM 3952 H2 TIP3 4428 0.919 -16.304 0.636 1.00 0.00 WT1 ATOM 3953 OH2 TIP3 4429 10.925 4.335 2.564 1.00 0.00 WT1 ATOM 3954 H1 TIP3 4429 11.849 3.968 2.544 1.00 0.00 WT1 ATOM 3955 H2 TIP3 4429 10.967 4.911 3.336 1.00 0.00 WT1 ATOM 3956 OH2 TIP3 4446 -0.522 4.722 -12.138 1.00 0.00 WT1 ATOM 3957 H1 TIP3 4446 -0.115 4.055 -12.760 1.00 0.00 WT1 ATOM 3958 H2 TIP3 4446 0.187 5.393 -12.356 1.00 0.00 WT1 ATOM 3959 OH2 TIP3 4451 8.766 -2.214 -12.138 1.00 0.00 WT1 ATOM 3960 H1 TIP3 4451 9.237 -1.522 -11.594 1.00 0.00 WT1 ATOM 3961 H2 TIP3 4451 7.960 -1.843 -12.518 1.00 0.00 WT1 ATOM 3962 OH2 TIP3 4456 -2.329 -11.180 -24.365 1.00 0.00 WT1 ATOM 3963 H1 TIP3 4456 -3.185 -10.729 -24.393 1.00 0.00 WT1 ATOM 3964 H2 TIP3 4456 -1.936 -10.405 -24.623 1.00 0.00 WT1 ATOM 3965 OH2 TIP3 4467 7.564 16.405 13.714 1.00 0.00 WT1 ATOM 3966 H1 TIP3 4467 7.000 17.111 14.118 1.00 0.00 WT1 ATOM 3967 H2 TIP3 4467 6.988 15.607 13.917 1.00 0.00 WT1 ATOM 3968 OH2 TIP3 4468 10.047 -8.520 1.641 1.00 0.00 WT1 ATOM 3969 H1 TIP3 4468 9.675 -8.008 2.360 1.00 0.00 WT1 ATOM 3970 H2 TIP3 4468 9.292 -9.121 1.528 1.00 0.00 WT1 ATOM 3971 OH2 TIP3 4470 5.466 -12.137 -8.239 1.00 0.00 WT1 ATOM 3972 H1 TIP3 4470 6.420 -12.321 -8.175 1.00 0.00 WT1 ATOM 3973 H2 TIP3 4470 5.407 -11.308 -7.764 1.00 0.00 WT1 ATOM 3974 OH2 TIP3 4487 5.783 -1.684 -5.859 1.00 0.00 WT1 ATOM 3975 H1 TIP3 4487 5.353 -1.804 -4.979 1.00 0.00 WT1 ATOM 3976 H2 TIP3 4487 6.431 -2.395 -5.971 1.00 0.00 WT1 ATOM 3977 OH2 TIP3 4489 -1.682 -12.783 -3.556 1.00 0.00 WT1 ATOM 3978 H1 TIP3 4489 -1.601 -13.755 -3.407 1.00 0.00 WT1 ATOM 3979 H2 TIP3 4489 -1.030 -12.518 -4.269 1.00 0.00 WT1 ATOM 3980 OH2 TIP3 4494 0.347 1.953 -1.646 1.00 0.00 WT1 ATOM 3981 H1 TIP3 4494 0.977 1.462 -2.195 1.00 0.00 WT1 ATOM 3982 H2 TIP3 4494 0.298 2.771 -2.158 1.00 0.00 WT1 ATOM 3983 OH2 TIP3 4496 4.426 -4.061 -37.299 1.00 0.00 WT1 ATOM 3984 H1 TIP3 4496 5.250 -4.170 -37.656 1.00 0.00 WT1 ATOM 3985 H2 TIP3 4496 4.592 -3.315 -36.628 1.00 0.00 WT1 ATOM 3986 OH2 TIP3 4497 9.491 9.456 -12.635 1.00 0.00 WT1 ATOM 3987 H1 TIP3 4497 9.935 8.594 -12.567 1.00 0.00 WT1 ATOM 3988 H2 TIP3 4497 10.265 9.950 -12.832 1.00 0.00 WT1 ATOM 3989 OH2 TIP3 4498 8.560 -3.230 -22.280 1.00 0.00 WT1 ATOM 3990 H1 TIP3 4498 8.860 -4.062 -22.582 1.00 0.00 WT1 ATOM 3991 H2 TIP3 4498 9.285 -2.923 -21.705 1.00 0.00 WT1 ATOM 3992 OH2 TIP3 4501 0.747 -2.646 -26.128 1.00 0.00 WT1 ATOM 3993 H1 TIP3 4501 0.981 -2.430 -25.186 1.00 0.00 WT1 ATOM 3994 H2 TIP3 4501 -0.085 -2.268 -26.137 1.00 0.00 WT1 ATOM 3995 OH2 TIP3 4503 -11.565 2.801 -24.347 1.00 0.00 WT1 ATOM 3996 H1 TIP3 4503 -12.435 2.828 -23.997 1.00 0.00 WT1 ATOM 3997 H2 TIP3 4503 -11.723 2.215 -25.122 1.00 0.00 WT1 ATOM 3998 OH2 TIP3 4504 3.196 -5.301 -4.463 1.00 0.00 WT1 ATOM 3999 H1 TIP3 4504 3.056 -5.412 -5.403 1.00 0.00 WT1 ATOM 4000 H2 TIP3 4504 2.439 -4.833 -4.135 1.00 0.00 WT1 ATOM 4001 OH2 TIP3 4505 2.375 -11.352 -1.069 1.00 0.00 WT1 ATOM 4002 H1 TIP3 4505 2.903 -10.744 -0.504 1.00 0.00 WT1 ATOM 4003 H2 TIP3 4505 1.473 -11.229 -0.650 1.00 0.00 WT1 ATOM 4004 OH2 TIP3 4506 1.555 -4.166 -12.299 1.00 0.00 WT1 ATOM 4005 H1 TIP3 4506 1.029 -4.784 -11.793 1.00 0.00 WT1 ATOM 4006 H2 TIP3 4506 0.697 -3.747 -12.580 1.00 0.00 WT1 ATOM 4007 OH2 TIP3 4507 -2.141 -15.309 1.430 1.00 0.00 WT1 ATOM 4008 H1 TIP3 4507 -2.409 -15.333 0.506 1.00 0.00 WT1 ATOM 4009 H2 TIP3 4507 -3.000 -15.443 1.766 1.00 0.00 WT1 ATOM 4010 OH2 TIP3 4509 9.199 -4.344 -18.384 1.00 0.00 WT1 ATOM 4011 H1 TIP3 4509 8.966 -3.522 -18.753 1.00 0.00 WT1 ATOM 4012 H2 TIP3 4509 9.231 -4.147 -17.445 1.00 0.00 WT1 ATOM 4013 OH2 TIP3 4516 2.079 14.856 -30.495 1.00 0.00 WT1 ATOM 4014 H1 TIP3 4516 2.601 14.645 -29.674 1.00 0.00 WT1 ATOM 4015 H2 TIP3 4516 2.504 14.246 -31.028 1.00 0.00 WT1 ATOM 4016 OH2 TIP3 4523 5.999 0.679 -23.409 1.00 0.00 WT1 ATOM 4017 H1 TIP3 4523 6.921 0.393 -23.337 1.00 0.00 WT1 ATOM 4018 H2 TIP3 4523 5.543 0.316 -22.632 1.00 0.00 WT1 ATOM 4019 OH2 TIP3 4530 -3.265 -8.435 13.368 1.00 0.00 WT1 ATOM 4020 H1 TIP3 4530 -3.045 -9.178 12.873 1.00 0.00 WT1 ATOM 4021 H2 TIP3 4530 -2.512 -8.414 14.030 1.00 0.00 WT1 ATOM 4022 OH2 TIP3 4534 12.591 -6.065 3.651 1.00 0.00 WT1 ATOM 4023 H1 TIP3 4534 13.344 -6.354 4.218 1.00 0.00 WT1 ATOM 4024 H2 TIP3 4534 12.781 -6.537 2.802 1.00 0.00 WT1 ATOM 4025 OH2 TIP3 4536 7.853 9.461 -32.607 1.00 0.00 WT1 ATOM 4026 H1 TIP3 4536 8.406 8.690 -32.425 1.00 0.00 WT1 ATOM 4027 H2 TIP3 4536 8.036 9.432 -33.578 1.00 0.00 WT1 ATOM 4028 OH2 TIP3 4539 5.861 11.199 -15.971 1.00 0.00 WT1 ATOM 4029 H1 TIP3 4539 6.556 11.811 -16.396 1.00 0.00 WT1 ATOM 4030 H2 TIP3 4539 6.420 10.417 -15.616 1.00 0.00 WT1 ATOM 4031 OH2 TIP3 4540 5.962 11.590 -24.266 1.00 0.00 WT1 ATOM 4032 H1 TIP3 4540 5.808 12.182 -23.518 1.00 0.00 WT1 ATOM 4033 H2 TIP3 4540 5.092 11.310 -24.475 1.00 0.00 WT1 ATOM 4034 OH2 TIP3 4550 8.924 4.412 -7.923 1.00 0.00 WT1 ATOM 4035 H1 TIP3 4550 9.368 4.993 -7.291 1.00 0.00 WT1 ATOM 4036 H2 TIP3 4550 8.144 4.970 -7.999 1.00 0.00 WT1 ATOM 4037 OH2 TIP3 4552 3.811 -4.686 -10.072 1.00 0.00 WT1 ATOM 4038 H1 TIP3 4552 4.495 -5.071 -10.622 1.00 0.00 WT1 ATOM 4039 H2 TIP3 4552 3.060 -5.110 -10.522 1.00 0.00 WT1 ATOM 4040 OH2 TIP3 4553 3.129 -0.232 -39.331 1.00 0.00 WT1 ATOM 4041 H1 TIP3 4553 2.356 -0.081 -39.847 1.00 0.00 WT1 ATOM 4042 H2 TIP3 4553 3.039 -1.162 -39.086 1.00 0.00 WT1 ATOM 4043 OH2 TIP3 4556 4.385 10.458 3.556 1.00 0.00 WT1 ATOM 4044 H1 TIP3 4556 5.120 10.631 2.952 1.00 0.00 WT1 ATOM 4045 H2 TIP3 4556 3.975 9.716 3.146 1.00 0.00 WT1 ATOM 4046 OH2 TIP3 4557 11.596 -2.671 -4.295 1.00 0.00 WT1 ATOM 4047 H1 TIP3 4557 10.852 -2.747 -5.065 1.00 0.00 WT1 ATOM 4048 H2 TIP3 4557 11.404 -1.831 -3.903 1.00 0.00 WT1 ATOM 4049 OH2 TIP3 4559 -5.783 -7.931 -36.252 1.00 0.00 WT1 ATOM 4050 H1 TIP3 4559 -5.179 -7.681 -35.534 1.00 0.00 WT1 ATOM 4051 H2 TIP3 4559 -5.068 -8.255 -36.833 1.00 0.00 WT1 ATOM 4052 OH2 TIP3 4560 12.028 10.739 -28.094 1.00 0.00 WT1 ATOM 4053 H1 TIP3 4560 11.474 10.993 -27.367 1.00 0.00 WT1 ATOM 4054 H2 TIP3 4560 12.945 10.819 -27.730 1.00 0.00 WT1 ATOM 4055 OH2 TIP3 4564 4.828 -7.305 -14.314 1.00 0.00 WT1 ATOM 4056 H1 TIP3 4564 4.131 -7.281 -14.995 1.00 0.00 WT1 ATOM 4057 H2 TIP3 4564 4.319 -6.897 -13.572 1.00 0.00 WT1 ATOM 4058 OH2 TIP3 4565 -3.746 7.339 -26.944 1.00 0.00 WT1 ATOM 4059 H1 TIP3 4565 -3.725 7.961 -26.163 1.00 0.00 WT1 ATOM 4060 H2 TIP3 4565 -4.697 7.087 -26.815 1.00 0.00 WT1 ATOM 4061 OH2 TIP3 4567 9.762 13.224 -14.721 1.00 0.00 WT1 ATOM 4062 H1 TIP3 4567 9.008 13.354 -14.140 1.00 0.00 WT1 ATOM 4063 H2 TIP3 4567 10.178 14.127 -14.894 1.00 0.00 WT1 ATOM 4064 OH2 TIP3 4568 7.852 1.734 -7.209 1.00 0.00 WT1 ATOM 4065 H1 TIP3 4568 8.639 2.265 -7.535 1.00 0.00 WT1 ATOM 4066 H2 TIP3 4568 7.482 2.224 -6.482 1.00 0.00 WT1 ATOM 4067 OH2 TIP3 4569 5.631 10.985 -35.513 1.00 0.00 WT1 ATOM 4068 H1 TIP3 4569 5.328 11.682 -36.088 1.00 0.00 WT1 ATOM 4069 H2 TIP3 4569 5.053 10.231 -35.767 1.00 0.00 WT1 ATOM 4070 OH2 TIP3 4572 -3.654 8.108 -1.751 1.00 0.00 WT1 ATOM 4071 H1 TIP3 4572 -4.169 8.920 -1.423 1.00 0.00 WT1 ATOM 4072 H2 TIP3 4572 -4.387 7.462 -1.871 1.00 0.00 WT1 ATOM 4073 OH2 TIP3 4574 1.105 3.389 -4.807 1.00 0.00 WT1 ATOM 4074 H1 TIP3 4574 1.284 3.944 -4.034 1.00 0.00 WT1 ATOM 4075 H2 TIP3 4574 0.291 3.815 -5.167 1.00 0.00 WT1 ATOM 4076 OH2 TIP3 4575 14.178 -7.476 9.639 1.00 0.00 WT1 ATOM 4077 H1 TIP3 4575 13.594 -7.206 10.407 1.00 0.00 WT1 ATOM 4078 H2 TIP3 4575 15.014 -7.383 10.022 1.00 0.00 WT1 ATOM 4079 OH2 TIP3 4576 9.241 -0.656 12.475 1.00 0.00 WT1 ATOM 4080 H1 TIP3 4576 9.216 0.337 12.567 1.00 0.00 WT1 ATOM 4081 H2 TIP3 4576 8.452 -0.990 12.893 1.00 0.00 WT1 ATOM 4082 OH2 TIP3 4578 -6.763 11.220 -25.652 1.00 0.00 WT1 ATOM 4083 H1 TIP3 4578 -5.798 11.432 -25.802 1.00 0.00 WT1 ATOM 4084 H2 TIP3 4578 -6.697 10.553 -24.915 1.00 0.00 WT1 ATOM 4085 OH2 TIP3 4579 5.134 -5.986 -6.990 1.00 0.00 WT1 ATOM 4086 H1 TIP3 4579 4.615 -5.691 -7.735 1.00 0.00 WT1 ATOM 4087 H2 TIP3 4579 5.863 -6.458 -7.458 1.00 0.00 WT1 ATOM 4088 OH2 TIP3 4582 8.412 5.209 -27.746 1.00 0.00 WT1 ATOM 4089 H1 TIP3 4582 9.065 5.333 -27.023 1.00 0.00 WT1 ATOM 4090 H2 TIP3 4582 7.681 5.652 -27.249 1.00 0.00 WT1 ATOM 4091 OH2 TIP3 4587 12.308 -9.304 -11.946 1.00 0.00 WT1 ATOM 4092 H1 TIP3 4587 13.238 -9.062 -12.068 1.00 0.00 WT1 ATOM 4093 H2 TIP3 4587 12.353 -9.899 -11.208 1.00 0.00 WT1 ATOM 4094 OH2 TIP3 4588 12.117 3.784 -28.040 1.00 0.00 WT1 ATOM 4095 H1 TIP3 4588 11.842 4.470 -28.694 1.00 0.00 WT1 ATOM 4096 H2 TIP3 4588 11.891 2.948 -28.554 1.00 0.00 WT1 ATOM 4097 OH2 TIP3 4592 12.331 -7.794 -15.983 1.00 0.00 WT1 ATOM 4098 H1 TIP3 4592 12.829 -8.387 -16.580 1.00 0.00 WT1 ATOM 4099 H2 TIP3 4592 12.069 -7.077 -16.632 1.00 0.00 WT1 ATOM 4100 OH2 TIP3 4594 -6.629 4.447 -4.775 1.00 0.00 WT1 ATOM 4101 H1 TIP3 4594 -6.854 3.665 -4.263 1.00 0.00 WT1 ATOM 4102 H2 TIP3 4594 -5.666 4.400 -4.982 1.00 0.00 WT1 ATOM 4103 OH2 TIP3 4605 1.703 14.864 -16.424 1.00 0.00 WT1 ATOM 4104 H1 TIP3 4605 2.149 14.214 -16.981 1.00 0.00 WT1 ATOM 4105 H2 TIP3 4605 1.845 15.695 -16.837 1.00 0.00 WT1 ATOM 4106 OH2 TIP3 4606 -2.305 -5.668 -21.430 1.00 0.00 WT1 ATOM 4107 H1 TIP3 4606 -1.916 -6.581 -21.355 1.00 0.00 WT1 ATOM 4108 H2 TIP3 4606 -2.055 -5.524 -22.349 1.00 0.00 WT1 ATOM 4109 OH2 TIP3 4608 0.041 8.773 -13.683 1.00 0.00 WT1 ATOM 4110 H1 TIP3 4608 -0.133 9.708 -13.416 1.00 0.00 WT1 ATOM 4111 H2 TIP3 4608 -0.510 8.317 -13.071 1.00 0.00 WT1 ATOM 4112 OH2 TIP3 4615 7.175 3.996 16.704 1.00 0.00 WT1 ATOM 4113 H1 TIP3 4615 7.593 4.904 16.536 1.00 0.00 WT1 ATOM 4114 H2 TIP3 4615 7.932 3.516 17.167 1.00 0.00 WT1 ATOM 4115 OH2 TIP3 4617 12.623 -3.259 -1.518 1.00 0.00 WT1 ATOM 4116 H1 TIP3 4617 13.569 -3.170 -1.900 1.00 0.00 WT1 ATOM 4117 H2 TIP3 4617 12.513 -2.288 -1.283 1.00 0.00 WT1 ATOM 4118 OH2 TIP3 4630 3.124 11.044 -15.515 1.00 0.00 WT1 ATOM 4119 H1 TIP3 4630 3.343 10.901 -14.534 1.00 0.00 WT1 ATOM 4120 H2 TIP3 4630 3.985 11.169 -15.795 1.00 0.00 WT1 ATOM 4121 OH2 TIP3 4631 0.469 11.201 -0.474 1.00 0.00 WT1 ATOM 4122 H1 TIP3 4631 1.014 10.669 -1.084 1.00 0.00 WT1 ATOM 4123 H2 TIP3 4631 0.644 12.120 -0.574 1.00 0.00 WT1 ATOM 4124 OH2 TIP3 4638 -7.909 9.216 11.990 1.00 0.00 WT1 ATOM 4125 H1 TIP3 4638 -7.657 8.828 12.899 1.00 0.00 WT1 ATOM 4126 H2 TIP3 4638 -7.165 9.829 11.983 1.00 0.00 WT1 ATOM 4127 OH2 TIP3 4640 15.393 7.815 17.990 1.00 0.00 WT1 ATOM 4128 H1 TIP3 4640 15.750 7.368 18.854 1.00 0.00 WT1 ATOM 4129 H2 TIP3 4640 15.763 8.734 18.119 1.00 0.00 WT1 ATOM 4130 OH2 TIP3 4645 3.862 9.225 -35.548 1.00 0.00 WT1 ATOM 4131 H1 TIP3 4645 4.093 8.669 -34.767 1.00 0.00 WT1 ATOM 4132 H2 TIP3 4645 2.971 9.491 -35.305 1.00 0.00 WT1 ATOM 4133 OH2 TIP3 4654 6.465 5.484 -8.054 1.00 0.00 WT1 ATOM 4134 H1 TIP3 4654 6.384 6.345 -8.488 1.00 0.00 WT1 ATOM 4135 H2 TIP3 4654 5.518 5.235 -8.051 1.00 0.00 WT1 ATOM 4136 OH2 TIP3 4657 2.743 12.573 21.190 1.00 0.00 WT1 ATOM 4137 H1 TIP3 4657 3.482 12.916 21.725 1.00 0.00 WT1 ATOM 4138 H2 TIP3 4657 3.013 12.864 20.285 1.00 0.00 WT1 ATOM 4139 OH2 TIP3 4669 -3.063 3.588 -8.002 1.00 0.00 WT1 ATOM 4140 H1 TIP3 4669 -2.557 4.100 -8.661 1.00 0.00 WT1 ATOM 4141 H2 TIP3 4669 -3.772 3.328 -8.637 1.00 0.00 WT1 ATOM 4142 OH2 TIP3 4695 3.626 5.303 -8.061 1.00 0.00 WT1 ATOM 4143 H1 TIP3 4695 2.842 5.468 -8.671 1.00 0.00 WT1 ATOM 4144 H2 TIP3 4695 3.622 4.335 -8.069 1.00 0.00 WT1 ATOM 4145 OH2 TIP3 4701 3.690 15.480 25.613 1.00 0.00 WT1 ATOM 4146 H1 TIP3 4701 2.851 15.933 25.829 1.00 0.00 WT1 ATOM 4147 H2 TIP3 4701 4.121 15.152 26.440 1.00 0.00 WT1 ATOM 4148 OH2 TIP3 4706 7.218 15.971 -30.016 1.00 0.00 WT1 ATOM 4149 H1 TIP3 4706 7.487 16.845 -30.323 1.00 0.00 WT1 ATOM 4150 H2 TIP3 4706 7.660 15.506 -30.758 1.00 0.00 WT1 ATOM 4151 OH2 TIP3 4739 10.412 -6.306 -3.918 1.00 0.00 WT1 ATOM 4152 H1 TIP3 4739 10.271 -5.679 -3.234 1.00 0.00 WT1 ATOM 4153 H2 TIP3 4739 11.426 -6.312 -3.952 1.00 0.00 WT1 ATOM 4154 OH2 TIP3 4786 6.444 -9.640 7.582 1.00 0.00 WT1 ATOM 4155 H1 TIP3 4786 6.688 -8.650 7.568 1.00 0.00 WT1 ATOM 4156 H2 TIP3 4786 6.976 -9.838 6.762 1.00 0.00 WT1 ATOM 4157 OH2 TIP3 4821 8.484 7.702 3.636 1.00 0.00 WT1 ATOM 4158 H1 TIP3 4821 7.609 7.509 4.035 1.00 0.00 WT1 ATOM 4159 H2 TIP3 4821 8.193 8.219 2.871 1.00 0.00 WT1 ATOM 4160 OH2 TIP3 4845 8.361 -12.539 -3.264 1.00 0.00 WT1 ATOM 4161 H1 TIP3 4845 8.939 -12.639 -4.045 1.00 0.00 WT1 ATOM 4162 H2 TIP3 4845 8.979 -12.102 -2.639 1.00 0.00 WT1 ATOM 4163 OH2 TIP3 4855 11.000 -3.200 -13.490 1.00 0.00 WT1 ATOM 4164 H1 TIP3 4855 11.733 -3.293 -12.870 1.00 0.00 WT1 ATOM 4165 H2 TIP3 4855 10.235 -3.219 -12.947 1.00 0.00 WT1 ATOM 4166 OH2 TIP3 4857 -3.154 -7.171 -29.954 1.00 0.00 WT1 ATOM 4167 H1 TIP3 4857 -3.906 -7.346 -30.646 1.00 0.00 WT1 ATOM 4168 H2 TIP3 4857 -3.116 -6.180 -29.966 1.00 0.00 WT1 ATOM 4169 OH2 TIP3 4881 2.784 -0.844 -15.946 1.00 0.00 WT1 ATOM 4170 H1 TIP3 4881 3.251 -0.572 -16.797 1.00 0.00 WT1 ATOM 4171 H2 TIP3 4881 2.869 -1.801 -15.994 1.00 0.00 WT1 ATOM 4172 OH2 TIP3 4887 9.674 -12.714 -9.351 1.00 0.00 WT1 ATOM 4173 H1 TIP3 4887 10.014 -13.618 -9.460 1.00 0.00 WT1 ATOM 4174 H2 TIP3 4887 8.950 -12.774 -10.003 1.00 0.00 WT1 ATOM 4175 OH2 TIP3 4895 13.673 1.871 14.978 1.00 0.00 WT1 ATOM 4176 H1 TIP3 4895 13.737 2.338 14.133 1.00 0.00 WT1 ATOM 4177 H2 TIP3 4895 14.397 1.183 14.895 1.00 0.00 WT1 ATOM 4178 OH2 TIP3 4901 11.103 -12.093 4.059 1.00 0.00 WT1 ATOM 4179 H1 TIP3 4901 11.490 -11.551 3.314 1.00 0.00 WT1 ATOM 4180 H2 TIP3 4901 10.586 -12.870 3.706 1.00 0.00 WT1 ATOM 4181 OH2 TIP3 4908 14.249 -7.402 -7.450 1.00 0.00 WT1 ATOM 4182 H1 TIP3 4908 14.525 -6.639 -8.110 1.00 0.00 WT1 ATOM 4183 H2 TIP3 4908 14.304 -8.174 -8.153 1.00 0.00 WT1 ATOM 4184 OH2 TIP3 4922 5.942 -5.874 -31.164 1.00 0.00 WT1 ATOM 4185 H1 TIP3 4922 6.901 -5.847 -31.158 1.00 0.00 WT1 ATOM 4186 H2 TIP3 4922 5.869 -4.889 -31.244 1.00 0.00 WT1 ATOM 4187 OH2 TIP3 4943 -6.466 -15.266 -6.359 1.00 0.00 WT1 ATOM 4188 H1 TIP3 4943 -5.993 -15.808 -5.799 1.00 0.00 WT1 ATOM 4189 H2 TIP3 4943 -7.357 -15.288 -5.967 1.00 0.00 WT1 ATOM 4190 OH2 TIP3 4944 2.413 -8.305 -27.355 1.00 0.00 WT1 ATOM 4191 H1 TIP3 4944 1.843 -8.728 -26.683 1.00 0.00 WT1 ATOM 4192 H2 TIP3 4944 3.175 -8.905 -27.430 1.00 0.00 WT1 ATOM 4193 OH2 TIP3 4945 8.569 -6.014 -7.197 1.00 0.00 WT1 ATOM 4194 H1 TIP3 4945 9.423 -5.837 -6.965 1.00 0.00 WT1 ATOM 4195 H2 TIP3 4945 8.153 -6.379 -6.441 1.00 0.00 WT1 ATOM 4196 OH2 TIP3 4946 6.624 15.338 -24.181 1.00 0.00 WT1 ATOM 4197 H1 TIP3 4946 6.424 15.889 -24.976 1.00 0.00 WT1 ATOM 4198 H2 TIP3 4946 7.154 14.643 -24.550 1.00 0.00 WT1 ATOM 4199 OH2 TIP3 4949 19.190 2.329 13.662 1.00 0.00 WT1 ATOM 4200 H1 TIP3 4949 19.221 1.483 14.242 1.00 0.00 WT1 ATOM 4201 H2 TIP3 4949 20.122 2.485 13.536 1.00 0.00 WT1 ATOM 4202 OH2 TIP3 4951 7.266 -5.228 -2.953 1.00 0.00 WT1 ATOM 4203 H1 TIP3 4951 7.992 -5.272 -2.249 1.00 0.00 WT1 ATOM 4204 H2 TIP3 4951 6.502 -5.278 -2.382 1.00 0.00 WT1 ATOM 4205 OH2 TIP3 4954 7.884 -10.100 0.689 1.00 0.00 WT1 ATOM 4206 H1 TIP3 4954 7.603 -9.722 -0.169 1.00 0.00 WT1 ATOM 4207 H2 TIP3 4954 7.286 -9.714 1.424 1.00 0.00 WT1 ATOM 4208 OH2 TIP3 4958 9.335 0.708 -0.659 1.00 0.00 WT1 ATOM 4209 H1 TIP3 4958 9.238 1.401 -1.340 1.00 0.00 WT1 ATOM 4210 H2 TIP3 4958 9.293 1.250 0.140 1.00 0.00 WT1 ATOM 4211 OH2 TIP3 4961 -0.099 -9.222 -19.802 1.00 0.00 WT1 ATOM 4212 H1 TIP3 4961 -0.048 -9.149 -20.788 1.00 0.00 WT1 ATOM 4213 H2 TIP3 4961 -0.451 -10.110 -19.647 1.00 0.00 WT1 ATOM 4214 OH2 TIP3 4963 12.237 5.865 -20.531 1.00 0.00 WT1 ATOM 4215 H1 TIP3 4963 12.969 6.190 -20.034 1.00 0.00 WT1 ATOM 4216 H2 TIP3 4963 12.265 4.914 -20.424 1.00 0.00 WT1 ATOM 4217 OH2 TIP3 4971 -4.662 -8.831 -9.987 1.00 0.00 WT1 ATOM 4218 H1 TIP3 4971 -4.553 -9.739 -10.475 1.00 0.00 WT1 ATOM 4219 H2 TIP3 4971 -5.157 -8.284 -10.593 1.00 0.00 WT1 ATOM 4220 OH2 TIP3 4974 13.234 -9.042 5.152 1.00 0.00 WT1 ATOM 4221 H1 TIP3 4974 12.287 -9.246 5.395 1.00 0.00 WT1 ATOM 4222 H2 TIP3 4974 13.176 -9.400 4.244 1.00 0.00 WT1 ATOM 4223 OH2 TIP3 4975 9.077 9.138 -0.427 1.00 0.00 WT1 ATOM 4224 H1 TIP3 4975 8.451 9.068 0.412 1.00 0.00 WT1 ATOM 4225 H2 TIP3 4975 9.901 9.257 0.054 1.00 0.00 WT1 ATOM 4226 OH2 TIP3 4977 13.485 6.140 14.205 1.00 0.00 WT1 ATOM 4227 H1 TIP3 4977 13.498 5.413 13.596 1.00 0.00 WT1 ATOM 4228 H2 TIP3 4977 13.121 6.845 13.650 1.00 0.00 WT1 ATOM 4229 OH2 TIP3 4978 2.710 -1.149 -27.412 1.00 0.00 WT1 ATOM 4230 H1 TIP3 4978 2.654 -0.493 -26.726 1.00 0.00 WT1 ATOM 4231 H2 TIP3 4978 2.131 -1.741 -26.970 1.00 0.00 WT1 ATOM 4232 OH2 TIP3 4982 13.247 -2.725 -21.107 1.00 0.00 WT1 ATOM 4233 H1 TIP3 4982 13.343 -2.671 -22.085 1.00 0.00 WT1 ATOM 4234 H2 TIP3 4982 12.356 -2.395 -20.975 1.00 0.00 WT1 ATOM 4235 OH2 TIP3 4983 7.253 0.323 -14.171 1.00 0.00 WT1 ATOM 4236 H1 TIP3 4983 7.597 0.779 -13.348 1.00 0.00 WT1 ATOM 4237 H2 TIP3 4983 6.801 -0.425 -13.749 1.00 0.00 WT1 ATOM 4238 OH2 TIP3 4986 7.505 -1.841 -18.946 1.00 0.00 WT1 ATOM 4239 H1 TIP3 4986 7.256 -0.944 -19.206 1.00 0.00 WT1 ATOM 4240 H2 TIP3 4986 6.786 -2.339 -19.398 1.00 0.00 WT1 ATOM 4241 OH2 TIP3 4987 7.586 13.570 -11.828 1.00 0.00 WT1 ATOM 4242 H1 TIP3 4987 6.801 13.605 -12.317 1.00 0.00 WT1 ATOM 4243 H2 TIP3 4987 7.338 14.316 -11.165 1.00 0.00 WT1 ATOM 4244 OH2 TIP3 4997 9.489 2.001 7.484 1.00 0.00 WT1 ATOM 4245 H1 TIP3 4997 9.278 1.157 7.868 1.00 0.00 WT1 ATOM 4246 H2 TIP3 4997 10.407 2.079 7.733 1.00 0.00 WT1 ATOM 4247 OH2 TIP3 5000 -2.416 8.591 -12.041 1.00 0.00 WT1 ATOM 4248 H1 TIP3 5000 -3.192 8.743 -12.601 1.00 0.00 WT1 ATOM 4249 H2 TIP3 5000 -2.408 9.397 -11.551 1.00 0.00 WT1 ATOM 4250 OH2 TIP3 5001 10.058 -4.427 -15.670 1.00 0.00 WT1 ATOM 4251 H1 TIP3 5001 10.375 -3.960 -14.869 1.00 0.00 WT1 ATOM 4252 H2 TIP3 5001 9.751 -5.299 -15.311 1.00 0.00 WT1 ATOM 4253 OH2 TIP3 5005 9.681 0.946 -22.130 1.00 0.00 WT1 ATOM 4254 H1 TIP3 5005 9.788 1.087 -21.199 1.00 0.00 WT1 ATOM 4255 H2 TIP3 5005 10.107 0.108 -22.174 1.00 0.00 WT1 ATOM 4256 OH2 TIP3 5006 4.327 -6.631 -25.800 1.00 0.00 WT1 ATOM 4257 H1 TIP3 5006 4.290 -7.338 -25.132 1.00 0.00 WT1 ATOM 4258 H2 TIP3 5006 3.590 -6.851 -26.431 1.00 0.00 WT1 ATOM 4259 OH2 TIP3 5009 11.942 0.113 -6.802 1.00 0.00 WT1 ATOM 4260 H1 TIP3 5009 12.681 -0.253 -6.274 1.00 0.00 WT1 ATOM 4261 H2 TIP3 5009 12.096 1.045 -6.480 1.00 0.00 WT1 ATOM 4262 OH2 TIP3 5015 0.832 3.239 10.260 1.00 0.00 WT1 ATOM 4263 H1 TIP3 5015 0.858 4.203 9.937 1.00 0.00 WT1 ATOM 4264 H2 TIP3 5015 -0.027 2.966 9.908 1.00 0.00 WT1 ATOM 4265 OH2 TIP3 5017 6.311 11.226 1.848 1.00 0.00 WT1 ATOM 4266 H1 TIP3 5017 7.140 11.630 2.220 1.00 0.00 WT1 ATOM 4267 H2 TIP3 5017 6.073 11.919 1.189 1.00 0.00 WT1 ATOM 4268 OH2 TIP3 5031 18.886 0.516 15.550 1.00 0.00 WT1 ATOM 4269 H1 TIP3 5031 19.552 0.856 16.241 1.00 0.00 WT1 ATOM 4270 H2 TIP3 5031 18.173 0.403 16.164 1.00 0.00 WT1 ATOM 4271 OH2 TIP3 5041 3.434 -9.806 0.979 1.00 0.00 WT1 ATOM 4272 H1 TIP3 5041 2.932 -9.271 1.674 1.00 0.00 WT1 ATOM 4273 H2 TIP3 5041 4.036 -9.114 0.650 1.00 0.00 WT1 ATOM 4274 OH2 TIP3 5043 -0.317 -4.382 -38.217 1.00 0.00 WT1 ATOM 4275 H1 TIP3 5043 -0.691 -3.905 -37.479 1.00 0.00 WT1 ATOM 4276 H2 TIP3 5043 -0.967 -5.100 -38.347 1.00 0.00 WT1 ATOM 4277 OH2 TIP3 5044 10.516 5.558 -26.172 1.00 0.00 WT1 ATOM 4278 H1 TIP3 5044 11.032 4.949 -26.767 1.00 0.00 WT1 ATOM 4279 H2 TIP3 5044 11.055 5.635 -25.335 1.00 0.00 WT1 ATOM 4280 OH2 TIP3 5046 10.716 8.399 -25.489 1.00 0.00 WT1 ATOM 4281 H1 TIP3 5046 11.205 7.948 -24.728 1.00 0.00 WT1 ATOM 4282 H2 TIP3 5046 10.362 7.676 -25.953 1.00 0.00 WT1 ATOM 4283 OH2 TIP3 5052 7.994 -12.613 -7.167 1.00 0.00 WT1 ATOM 4284 H1 TIP3 5052 8.597 -12.699 -7.986 1.00 0.00 WT1 ATOM 4285 H2 TIP3 5052 8.585 -12.886 -6.447 1.00 0.00 WT1 ATOM 4286 OH2 TIP3 5077 7.380 6.283 22.470 1.00 0.00 WT1 ATOM 4287 H1 TIP3 5077 6.746 5.795 23.029 1.00 0.00 WT1 ATOM 4288 H2 TIP3 5077 6.772 6.912 22.051 1.00 0.00 WT1 ATOM 4289 OH2 TIP3 5080 5.442 5.618 12.268 1.00 0.00 WT1 ATOM 4290 H1 TIP3 5080 6.007 5.117 12.872 1.00 0.00 WT1 ATOM 4291 H2 TIP3 5080 4.748 4.866 12.366 1.00 0.00 WT1 ATOM 4292 OH2 TIP3 5088 4.199 4.184 -22.892 1.00 0.00 WT1 ATOM 4293 H1 TIP3 5088 4.249 3.664 -22.037 1.00 0.00 WT1 ATOM 4294 H2 TIP3 5088 5.129 4.304 -23.119 1.00 0.00 WT1 ATOM 4295 OH2 TIP3 5098 0.047 -9.028 -12.772 1.00 0.00 WT1 ATOM 4296 H1 TIP3 5098 -0.428 -9.224 -11.961 1.00 0.00 WT1 ATOM 4297 H2 TIP3 5098 -0.466 -8.197 -13.080 1.00 0.00 WT1 ATOM 4298 OH2 TIP3 5105 9.826 1.789 4.551 1.00 0.00 WT1 ATOM 4299 H1 TIP3 5105 10.672 1.506 4.953 1.00 0.00 WT1 ATOM 4300 H2 TIP3 5105 9.401 2.329 5.260 1.00 0.00 WT1 ATOM 4301 OH2 TIP3 5115 11.971 7.259 -17.483 1.00 0.00 WT1 ATOM 4302 H1 TIP3 5115 11.620 6.315 -17.432 1.00 0.00 WT1 ATOM 4303 H2 TIP3 5115 12.400 7.250 -16.642 1.00 0.00 WT1 ATOM 4304 OH2 TIP3 5133 7.974 2.418 -34.751 1.00 0.00 WT1 ATOM 4305 H1 TIP3 5133 8.250 1.687 -34.149 1.00 0.00 WT1 ATOM 4306 H2 TIP3 5133 8.079 1.921 -35.600 1.00 0.00 WT1 ATOM 4307 OH2 TIP3 5164 7.556 0.747 -36.721 1.00 0.00 WT1 ATOM 4308 H1 TIP3 5164 6.697 0.737 -37.194 1.00 0.00 WT1 ATOM 4309 H2 TIP3 5164 7.846 -0.128 -36.376 1.00 0.00 WT1 ATOM 4310 OH2 TIP3 5195 1.248 0.489 -13.985 1.00 0.00 WT1 ATOM 4311 H1 TIP3 5195 1.907 0.110 -13.352 1.00 0.00 WT1 ATOM 4312 H2 TIP3 5195 1.627 0.156 -14.828 1.00 0.00 WT1 ATOM 4313 OH2 TIP3 5267 2.730 -0.534 -1.051 1.00 0.00 WT1 ATOM 4314 H1 TIP3 5267 2.726 -0.025 -0.206 1.00 0.00 WT1 ATOM 4315 H2 TIP3 5267 2.588 0.230 -1.694 1.00 0.00 WT1 ATOM 4316 OH2 TIP3 5284 -9.929 -8.270 -7.369 1.00 0.00 WT1 ATOM 4317 H1 TIP3 5284 -10.352 -9.109 -7.572 1.00 0.00 WT1 ATOM 4318 H2 TIP3 5284 -9.148 -8.587 -6.910 1.00 0.00 WT1 ATOM 4319 OH2 TIP3 5320 1.089 -2.973 -23.161 1.00 0.00 WT1 ATOM 4320 H1 TIP3 5320 1.315 -2.029 -23.005 1.00 0.00 WT1 ATOM 4321 H2 TIP3 5320 0.922 -3.342 -22.265 1.00 0.00 WT1 ATOM 4322 OH2 TIP3 5333 2.956 -12.215 6.874 1.00 0.00 WT1 ATOM 4323 H1 TIP3 5333 3.883 -12.323 7.157 1.00 0.00 WT1 ATOM 4324 H2 TIP3 5333 2.880 -13.122 6.589 1.00 0.00 WT1 ATOM 4325 OH2 TIP3 5334 11.683 -4.588 -7.120 1.00 0.00 WT1 ATOM 4326 H1 TIP3 5334 11.181 -4.400 -6.320 1.00 0.00 WT1 ATOM 4327 H2 TIP3 5334 12.614 -4.367 -6.904 1.00 0.00 WT1 ATOM 4328 OH2 TIP3 5338 14.397 4.375 5.991 1.00 0.00 WT1 ATOM 4329 H1 TIP3 5338 14.803 3.985 6.788 1.00 0.00 WT1 ATOM 4330 H2 TIP3 5338 13.620 4.897 6.279 1.00 0.00 WT1 ATOM 4331 OH2 TIP3 5341 -10.559 -6.795 -31.120 1.00 0.00 WT1 ATOM 4332 H1 TIP3 5341 -9.645 -6.560 -30.923 1.00 0.00 WT1 ATOM 4333 H2 TIP3 5341 -10.417 -7.261 -31.969 1.00 0.00 WT1 ATOM 4334 OH2 TIP3 5348 10.164 -6.840 4.101 1.00 0.00 WT1 ATOM 4335 H1 TIP3 5348 11.102 -6.587 3.714 1.00 0.00 WT1 ATOM 4336 H2 TIP3 5348 10.471 -7.182 4.918 1.00 0.00 WT1 ATOM 4337 OH2 TIP3 5354 9.578 -8.429 -9.285 1.00 0.00 WT1 ATOM 4338 H1 TIP3 5354 8.851 -8.320 -8.704 1.00 0.00 WT1 ATOM 4339 H2 TIP3 5354 10.307 -8.004 -8.750 1.00 0.00 WT1 ATOM 4340 OH2 TIP3 5364 7.501 7.158 -35.698 1.00 0.00 WT1 ATOM 4341 H1 TIP3 5364 6.680 7.072 -36.161 1.00 0.00 WT1 ATOM 4342 H2 TIP3 5364 7.891 8.073 -35.763 1.00 0.00 WT1 ATOM 4343 OH2 TIP3 5368 -5.340 -15.653 -8.724 1.00 0.00 WT1 ATOM 4344 H1 TIP3 5368 -5.708 -15.432 -7.803 1.00 0.00 WT1 ATOM 4345 H2 TIP3 5368 -4.401 -15.781 -8.407 1.00 0.00 WT1 ATOM 4346 OH2 TIP3 5371 6.956 0.035 -10.181 1.00 0.00 WT1 ATOM 4347 H1 TIP3 5371 6.550 -0.847 -10.357 1.00 0.00 WT1 ATOM 4348 H2 TIP3 5371 6.659 0.095 -9.220 1.00 0.00 WT1 ATOM 4349 OH2 TIP3 5372 5.181 -9.245 -8.595 1.00 0.00 WT1 ATOM 4350 H1 TIP3 5372 5.846 -9.792 -9.179 1.00 0.00 WT1 ATOM 4351 H2 TIP3 5372 5.453 -8.341 -8.963 1.00 0.00 WT1 ATOM 4352 OH2 TIP3 5378 -0.586 -13.739 -15.702 1.00 0.00 WT1 ATOM 4353 H1 TIP3 5378 -1.333 -13.703 -16.332 1.00 0.00 WT1 ATOM 4354 H2 TIP3 5378 -0.643 -12.797 -15.377 1.00 0.00 WT1 ATOM 4355 OH2 TIP3 5385 6.545 0.934 -19.380 1.00 0.00 WT1 ATOM 4356 H1 TIP3 5385 6.136 1.538 -18.742 1.00 0.00 WT1 ATOM 4357 H2 TIP3 5385 5.715 0.611 -19.811 1.00 0.00 WT1 ATOM 4358 OH2 TIP3 5392 3.417 5.192 2.828 1.00 0.00 WT1 ATOM 4359 H1 TIP3 5392 2.534 5.652 2.619 1.00 0.00 WT1 ATOM 4360 H2 TIP3 5392 3.171 4.473 3.485 1.00 0.00 WT1 ATOM 4361 OH2 TIP3 5393 1.987 18.652 -28.929 1.00 0.00 WT1 ATOM 4362 H1 TIP3 5393 2.644 18.170 -29.501 1.00 0.00 WT1 ATOM 4363 H2 TIP3 5393 2.348 19.524 -28.823 1.00 0.00 WT1 ATOM 4364 OH2 TIP3 5401 6.267 14.688 5.894 1.00 0.00 WT1 ATOM 4365 H1 TIP3 5401 5.877 15.254 5.222 1.00 0.00 WT1 ATOM 4366 H2 TIP3 5401 6.348 13.869 5.426 1.00 0.00 WT1 ATOM 4367 OH2 TIP3 5404 12.102 -4.827 -25.924 1.00 0.00 WT1 ATOM 4368 H1 TIP3 5404 11.785 -5.462 -26.641 1.00 0.00 WT1 ATOM 4369 H2 TIP3 5404 12.243 -4.100 -26.511 1.00 0.00 WT1 ATOM 4370 OH2 TIP3 5409 5.919 7.091 -17.545 1.00 0.00 WT1 ATOM 4371 H1 TIP3 5409 6.490 7.859 -17.651 1.00 0.00 WT1 ATOM 4372 H2 TIP3 5409 6.608 6.304 -17.597 1.00 0.00 WT1 ATOM 4373 OH2 TIP3 5416 6.972 -13.601 -0.864 1.00 0.00 WT1 ATOM 4374 H1 TIP3 5416 7.047 -12.795 -1.323 1.00 0.00 WT1 ATOM 4375 H2 TIP3 5416 7.305 -14.251 -1.437 1.00 0.00 WT1 ATOM 4376 OH2 TIP3 5417 17.232 -0.449 10.982 1.00 0.00 WT1 ATOM 4377 H1 TIP3 5417 17.387 -0.864 11.841 1.00 0.00 WT1 ATOM 4378 H2 TIP3 5417 17.070 -1.243 10.437 1.00 0.00 WT1 ATOM 4379 OH2 TIP3 5418 -6.119 -5.122 -38.993 1.00 0.00 WT1 ATOM 4380 H1 TIP3 5418 -6.471 -5.969 -39.220 1.00 0.00 WT1 ATOM 4381 H2 TIP3 5418 -6.849 -4.647 -38.643 1.00 0.00 WT1 ATOM 4382 OH2 TIP3 5430 -4.906 -10.757 -32.523 1.00 0.00 WT1 ATOM 4383 H1 TIP3 5430 -4.937 -9.855 -32.846 1.00 0.00 WT1 ATOM 4384 H2 TIP3 5430 -5.920 -10.873 -32.516 1.00 0.00 WT1 ATOM 4385 OH2 TIP3 5436 2.276 6.999 13.241 1.00 0.00 WT1 ATOM 4386 H1 TIP3 5436 1.793 6.204 12.822 1.00 0.00 WT1 ATOM 4387 H2 TIP3 5436 2.854 6.489 13.858 1.00 0.00 WT1 ATOM 4388 OH2 TIP3 5444 -2.748 11.814 -28.050 1.00 0.00 WT1 ATOM 4389 H1 TIP3 5444 -1.910 11.858 -28.547 1.00 0.00 WT1 ATOM 4390 H2 TIP3 5444 -3.048 12.719 -28.167 1.00 0.00 WT1 ATOM 4391 OH2 TIP3 5445 -2.659 9.030 -24.739 1.00 0.00 WT1 ATOM 4392 H1 TIP3 5445 -2.176 9.241 -23.887 1.00 0.00 WT1 ATOM 4393 H2 TIP3 5445 -1.941 9.067 -25.355 1.00 0.00 WT1 ATOM 4394 OH2 TIP3 5448 8.669 -1.441 18.048 1.00 0.00 WT1 ATOM 4395 H1 TIP3 5448 8.540 -0.686 18.646 1.00 0.00 WT1 ATOM 4396 H2 TIP3 5448 8.474 -1.057 17.214 1.00 0.00 WT1 ATOM 4397 OH2 TIP3 5455 2.022 4.120 -17.227 1.00 0.00 WT1 ATOM 4398 H1 TIP3 5455 2.193 5.054 -17.376 1.00 0.00 WT1 ATOM 4399 H2 TIP3 5455 1.894 4.235 -16.247 1.00 0.00 WT1 ATOM 4400 OH2 TIP3 5458 2.356 0.155 -8.800 1.00 0.00 WT1 ATOM 4401 H1 TIP3 5458 2.270 -0.667 -9.359 1.00 0.00 WT1 ATOM 4402 H2 TIP3 5458 3.292 0.228 -8.605 1.00 0.00 WT1 ATOM 4403 OH2 TIP3 5463 7.763 -2.752 -25.773 1.00 0.00 WT1 ATOM 4404 H1 TIP3 5463 8.220 -3.315 -26.371 1.00 0.00 WT1 ATOM 4405 H2 TIP3 5463 7.022 -3.312 -25.411 1.00 0.00 WT1 ATOM 4406 OH2 TIP3 5470 -4.425 7.274 -5.053 1.00 0.00 WT1 ATOM 4407 H1 TIP3 5470 -3.490 7.580 -4.876 1.00 0.00 WT1 ATOM 4408 H2 TIP3 5470 -4.285 6.296 -5.297 1.00 0.00 WT1 ATOM 4409 OH2 TIP3 5473 -0.370 -12.908 -12.294 1.00 0.00 WT1 ATOM 4410 H1 TIP3 5473 -1.179 -13.494 -12.205 1.00 0.00 WT1 ATOM 4411 H2 TIP3 5473 0.265 -13.426 -11.724 1.00 0.00 WT1 ATOM 4412 OH2 TIP3 5484 8.053 -1.034 -23.811 1.00 0.00 WT1 ATOM 4413 H1 TIP3 5484 8.105 -1.663 -24.569 1.00 0.00 WT1 ATOM 4414 H2 TIP3 5484 8.194 -1.667 -23.097 1.00 0.00 WT1 ATOM 4415 OH2 TIP3 5485 11.966 -6.111 -18.119 1.00 0.00 WT1 ATOM 4416 H1 TIP3 5485 12.174 -6.180 -19.075 1.00 0.00 WT1 ATOM 4417 H2 TIP3 5485 11.068 -5.865 -18.068 1.00 0.00 WT1 ATOM 4418 OH2 TIP3 5489 6.974 4.839 0.153 1.00 0.00 WT1 ATOM 4419 H1 TIP3 5489 6.208 5.349 0.509 1.00 0.00 WT1 ATOM 4420 H2 TIP3 5489 7.738 5.403 0.280 1.00 0.00 WT1 ATOM 4421 OH2 TIP3 5490 6.731 3.264 -9.854 1.00 0.00 WT1 ATOM 4422 H1 TIP3 5490 6.467 4.152 -9.379 1.00 0.00 WT1 ATOM 4423 H2 TIP3 5490 7.335 2.954 -9.220 1.00 0.00 WT1 ATOM 4424 OH2 TIP3 5505 -0.826 9.525 -29.252 1.00 0.00 WT1 ATOM 4425 H1 TIP3 5505 -0.337 9.935 -29.928 1.00 0.00 WT1 ATOM 4426 H2 TIP3 5505 -1.689 9.601 -29.639 1.00 0.00 WT1 ATOM 4427 OH2 TIP3 5528 11.941 -2.546 -27.609 1.00 0.00 WT1 ATOM 4428 H1 TIP3 5528 12.536 -1.749 -27.808 1.00 0.00 WT1 ATOM 4429 H2 TIP3 5528 11.313 -2.643 -28.357 1.00 0.00 WT1 ATOM 4430 OH2 TIP3 5549 -1.304 4.472 -15.582 1.00 0.00 WT1 ATOM 4431 H1 TIP3 5549 -0.852 3.839 -14.957 1.00 0.00 WT1 ATOM 4432 H2 TIP3 5549 -2.049 4.818 -15.019 1.00 0.00 WT1 ATOM 4433 OH2 TIP3 5575 -6.290 7.807 -29.046 1.00 0.00 WT1 ATOM 4434 H1 TIP3 5575 -6.669 8.733 -29.088 1.00 0.00 WT1 ATOM 4435 H2 TIP3 5575 -6.341 7.516 -28.079 1.00 0.00 WT1 ATOM 4436 OH2 TIP3 5733 7.789 4.365 10.359 1.00 0.00 WT1 ATOM 4437 H1 TIP3 5733 7.291 4.752 11.078 1.00 0.00 WT1 ATOM 4438 H2 TIP3 5733 8.211 5.175 9.992 1.00 0.00 WT1 ATOM 4439 OH2 TIP3 5782 -7.940 -7.579 -25.509 1.00 0.00 WT1 ATOM 4440 H1 TIP3 5782 -8.666 -7.296 -26.061 1.00 0.00 WT1 ATOM 4441 H2 TIP3 5782 -7.402 -8.155 -26.055 1.00 0.00 WT1 ATOM 4442 OH2 TIP3 5785 4.251 0.166 -21.375 1.00 0.00 WT1 ATOM 4443 H1 TIP3 5785 3.485 0.249 -22.007 1.00 0.00 WT1 ATOM 4444 H2 TIP3 5785 4.095 -0.756 -21.075 1.00 0.00 WT1 ATOM 4445 OH2 TIP3 5796 5.809 12.806 -2.302 1.00 0.00 WT1 ATOM 4446 H1 TIP3 5796 6.576 12.212 -2.198 1.00 0.00 WT1 ATOM 4447 H2 TIP3 5796 5.636 12.938 -1.381 1.00 0.00 WT1 ATOM 4448 OH2 TIP3 5827 -3.110 -13.631 -23.750 1.00 0.00 WT1 ATOM 4449 H1 TIP3 5827 -2.771 -12.834 -24.198 1.00 0.00 WT1 ATOM 4450 H2 TIP3 5827 -3.926 -13.724 -24.306 1.00 0.00 WT1 ATOM 4451 OH2 TIP3 5835 -4.076 4.520 -5.549 1.00 0.00 WT1 ATOM 4452 H1 TIP3 5835 -3.475 3.895 -5.015 1.00 0.00 WT1 ATOM 4453 H2 TIP3 5835 -3.929 4.129 -6.430 1.00 0.00 WT1 ATOM 4454 OH2 TIP3 5842 9.219 -0.567 -6.915 1.00 0.00 WT1 ATOM 4455 H1 TIP3 5842 10.108 -0.260 -7.132 1.00 0.00 WT1 ATOM 4456 H2 TIP3 5842 8.645 0.199 -7.036 1.00 0.00 WT1 ATOM 4457 OH2 TIP3 5845 9.081 5.062 -34.143 1.00 0.00 WT1 ATOM 4458 H1 TIP3 5845 8.597 4.319 -34.515 1.00 0.00 WT1 ATOM 4459 H2 TIP3 5845 8.689 5.750 -34.734 1.00 0.00 WT1 ATOM 4460 OH2 TIP3 5849 0.359 -14.501 -7.627 1.00 0.00 WT1 ATOM 4461 H1 TIP3 5849 0.829 -14.711 -8.467 1.00 0.00 WT1 ATOM 4462 H2 TIP3 5849 0.114 -13.591 -7.829 1.00 0.00 WT1 ATOM 4463 OH2 TIP3 5851 7.846 14.461 9.426 1.00 0.00 WT1 ATOM 4464 H1 TIP3 5851 8.541 15.120 9.255 1.00 0.00 WT1 ATOM 4465 H2 TIP3 5851 7.960 14.548 10.429 1.00 0.00 WT1 ATOM 4466 OH2 TIP3 5860 -2.543 -2.317 -40.685 1.00 0.00 WT1 ATOM 4467 H1 TIP3 5860 -2.328 -3.170 -40.436 1.00 0.00 WT1 ATOM 4468 H2 TIP3 5860 -3.481 -2.409 -40.364 1.00 0.00 WT1 ATOM 4469 OH2 TIP3 5864 6.160 -1.980 -13.282 1.00 0.00 WT1 ATOM 4470 H1 TIP3 5864 5.801 -2.097 -12.406 1.00 0.00 WT1 ATOM 4471 H2 TIP3 5864 5.375 -2.394 -13.742 1.00 0.00 WT1 ATOM 4472 OH2 TIP3 5870 14.780 -5.311 -9.047 1.00 0.00 WT1 ATOM 4473 H1 TIP3 5870 14.489 -5.600 -9.927 1.00 0.00 WT1 ATOM 4474 H2 TIP3 5870 15.150 -4.494 -9.342 1.00 0.00 WT1 ATOM 4475 OH2 TIP3 5879 1.056 6.931 7.225 1.00 0.00 WT1 ATOM 4476 H1 TIP3 5879 1.072 7.722 6.664 1.00 0.00 WT1 ATOM 4477 H2 TIP3 5879 1.411 6.311 6.563 1.00 0.00 WT1 ATOM 4478 OH2 TIP3 5880 5.719 -2.483 -10.329 1.00 0.00 WT1 ATOM 4479 H1 TIP3 5880 4.964 -3.048 -10.401 1.00 0.00 WT1 ATOM 4480 H2 TIP3 5880 5.917 -2.706 -9.380 1.00 0.00 WT1 ATOM 4481 OH2 TIP3 5898 14.898 3.816 3.317 1.00 0.00 WT1 ATOM 4482 H1 TIP3 5898 15.617 3.197 3.547 1.00 0.00 WT1 ATOM 4483 H2 TIP3 5898 14.830 4.256 4.144 1.00 0.00 WT1 ATOM 4484 OH2 TIP3 5900 -2.542 11.951 6.303 1.00 0.00 WT1 ATOM 4485 H1 TIP3 5900 -1.782 12.121 5.668 1.00 0.00 WT1 ATOM 4486 H2 TIP3 5900 -2.220 12.368 7.085 1.00 0.00 WT1 ATOM 4487 OH2 TIP3 5906 7.336 4.515 -23.096 1.00 0.00 WT1 ATOM 4488 H1 TIP3 5906 7.346 5.442 -23.256 1.00 0.00 WT1 ATOM 4489 H2 TIP3 5906 8.274 4.227 -23.121 1.00 0.00 WT1 ATOM 4490 OH2 TIP3 5910 0.370 2.958 -14.022 1.00 0.00 WT1 ATOM 4491 H1 TIP3 5910 0.548 2.013 -14.003 1.00 0.00 WT1 ATOM 4492 H2 TIP3 5910 1.255 3.329 -14.265 1.00 0.00 WT1 ATOM 4493 OH2 TIP3 5935 11.154 6.149 -23.421 1.00 0.00 WT1 ATOM 4494 H1 TIP3 5935 11.491 6.142 -22.475 1.00 0.00 WT1 ATOM 4495 H2 TIP3 5935 10.400 5.610 -23.293 1.00 0.00 WT1 ATOM 4496 OH2 TIP3 5938 14.058 -3.577 6.305 1.00 0.00 WT1 ATOM 4497 H1 TIP3 5938 13.894 -4.431 6.831 1.00 0.00 WT1 ATOM 4498 H2 TIP3 5938 14.515 -2.942 6.916 1.00 0.00 WT1 ATOM 4499 OH2 TIP3 5945 14.508 -5.630 -11.677 1.00 0.00 WT1 ATOM 4500 H1 TIP3 5945 13.820 -5.992 -12.266 1.00 0.00 WT1 ATOM 4501 H2 TIP3 5945 14.634 -4.816 -12.180 1.00 0.00 WT1 ATOM 4502 OH2 TIP3 5989 7.602 15.529 -32.588 1.00 0.00 WT1 ATOM 4503 H1 TIP3 5989 6.898 14.852 -32.792 1.00 0.00 WT1 ATOM 4504 H2 TIP3 5989 7.465 16.148 -33.318 1.00 0.00 WT1 ATOM 4505 OH2 TIP3 6220 9.000 8.714 -21.246 1.00 0.00 WT1 ATOM 4506 H1 TIP3 6220 9.260 7.839 -20.789 1.00 0.00 WT1 ATOM 4507 H2 TIP3 6220 9.670 9.366 -20.860 1.00 0.00 WT1 ATOM 4508 OH2 TIP3 6228 9.230 2.269 -2.772 1.00 0.00 WT1 ATOM 4509 H1 TIP3 6228 10.019 2.883 -2.840 1.00 0.00 WT1 ATOM 4510 H2 TIP3 6228 8.516 2.798 -2.950 1.00 0.00 WT1 ATOM 4511 OH2 TIP3 6231 5.130 12.971 -10.562 1.00 0.00 WT1 ATOM 4512 H1 TIP3 6231 4.416 13.559 -10.937 1.00 0.00 WT1 ATOM 4513 H2 TIP3 6231 4.712 12.061 -10.529 1.00 0.00 WT1 ATOM 4514 OH2 TIP3 6241 9.406 6.545 -19.781 1.00 0.00 WT1 ATOM 4515 H1 TIP3 6241 8.932 5.694 -19.727 1.00 0.00 WT1 ATOM 4516 H2 TIP3 6241 10.318 6.270 -19.939 1.00 0.00 WT1 ATOM 4517 OH2 TIP3 6247 9.449 -3.255 -6.002 1.00 0.00 WT1 ATOM 4518 H1 TIP3 6247 9.160 -2.375 -6.209 1.00 0.00 WT1 ATOM 4519 H2 TIP3 6247 8.547 -3.670 -5.946 1.00 0.00 WT1 ATOM 4520 OH2 TIP3 6296 4.720 2.153 -6.122 1.00 0.00 WT1 ATOM 4521 H1 TIP3 6296 5.541 2.619 -5.888 1.00 0.00 WT1 ATOM 4522 H2 TIP3 6296 4.312 2.105 -5.188 1.00 0.00 WT1 ATOM 4523 OH2 TIP3 6300 4.346 8.060 -33.090 1.00 0.00 WT1 ATOM 4524 H1 TIP3 6300 4.902 7.256 -32.971 1.00 0.00 WT1 ATOM 4525 H2 TIP3 6300 4.744 8.598 -32.388 1.00 0.00 WT1 ATOM 4526 OH2 TIP3 6325 5.652 -5.587 -33.922 1.00 0.00 WT1 ATOM 4527 H1 TIP3 6325 6.364 -4.978 -33.794 1.00 0.00 WT1 ATOM 4528 H2 TIP3 6325 5.675 -6.065 -33.073 1.00 0.00 WT1 ATOM 4529 OH2 TIP3 6346 6.627 -7.334 1.589 1.00 0.00 WT1 ATOM 4530 H1 TIP3 6346 7.267 -6.676 1.389 1.00 0.00 WT1 ATOM 4531 H2 TIP3 6346 6.031 -7.308 0.806 1.00 0.00 WT1 ATOM 4532 OH2 TIP3 6492 0.881 8.039 -20.026 1.00 0.00 WT1 ATOM 4533 H1 TIP3 6492 1.729 8.076 -20.427 1.00 0.00 WT1 ATOM 4534 H2 TIP3 6492 1.022 8.364 -19.165 1.00 0.00 WT1 ATOM 4535 OH2 TIP3 6693 0.346 -6.416 -14.565 1.00 0.00 WT1 ATOM 4536 H1 TIP3 6693 0.510 -6.323 -15.529 1.00 0.00 WT1 ATOM 4537 H2 TIP3 6693 1.182 -6.583 -14.281 1.00 0.00 WT1 ATOM 4538 OH2 TIP3 6705 8.585 8.010 -17.706 1.00 0.00 WT1 ATOM 4539 H1 TIP3 6705 8.458 7.218 -18.259 1.00 0.00 WT1 ATOM 4540 H2 TIP3 6705 8.511 8.641 -18.403 1.00 0.00 WT1 ATOM 4541 OH2 TIP3 6757 -0.192 4.801 -2.471 1.00 0.00 WT1 ATOM 4542 H1 TIP3 6757 -0.521 5.534 -3.065 1.00 0.00 WT1 ATOM 4543 H2 TIP3 6757 -0.712 4.821 -1.660 1.00 0.00 WT1 ATOM 4544 OH2 TIP3 6773 -4.025 5.856 4.418 1.00 0.00 WT1 ATOM 4545 H1 TIP3 6773 -4.670 5.596 5.095 1.00 0.00 WT1 ATOM 4546 H2 TIP3 6773 -4.491 5.916 3.550 1.00 0.00 WT1 ATOM 4547 OH2 TIP3 6774 13.206 2.651 -16.320 1.00 0.00 WT1 ATOM 4548 H1 TIP3 6774 13.120 2.287 -15.447 1.00 0.00 WT1 ATOM 4549 H2 TIP3 6774 13.540 1.788 -16.654 1.00 0.00 WT1 ATOM 4550 OH2 TIP3 6779 7.930 11.932 -8.751 1.00 0.00 WT1 ATOM 4551 H1 TIP3 6779 7.291 12.542 -9.133 1.00 0.00 WT1 ATOM 4552 H2 TIP3 6779 8.123 11.371 -9.526 1.00 0.00 WT1 ATOM 4553 OH2 TIP3 6802 15.951 -5.880 0.174 1.00 0.00 WT1 ATOM 4554 H1 TIP3 6802 16.250 -6.052 1.093 1.00 0.00 WT1 ATOM 4555 H2 TIP3 6802 16.662 -5.319 -0.182 1.00 0.00 WT1 ATOM 4556 OH2 TIP3 6845 8.725 4.397 6.512 1.00 0.00 WT1 ATOM 4557 H1 TIP3 6845 8.419 5.009 7.244 1.00 0.00 WT1 ATOM 4558 H2 TIP3 6845 8.851 3.569 7.013 1.00 0.00 WT1 ATOM 4559 OH2 TIP3 6855 3.684 1.552 -25.114 1.00 0.00 WT1 ATOM 4560 H1 TIP3 6855 4.452 1.188 -24.525 1.00 0.00 WT1 ATOM 4561 H2 TIP3 6855 4.258 2.016 -25.753 1.00 0.00 WT1 ATOM 4562 OH2 TIP3 6867 8.152 7.135 -23.208 1.00 0.00 WT1 ATOM 4563 H1 TIP3 6867 8.660 7.720 -22.612 1.00 0.00 WT1 ATOM 4564 H2 TIP3 6867 7.410 7.615 -23.607 1.00 0.00 WT1 ATOM 4565 OH2 TIP3 6877 7.251 14.226 -27.834 1.00 0.00 WT1 ATOM 4566 H1 TIP3 6877 7.399 14.889 -28.516 1.00 0.00 WT1 ATOM 4567 H2 TIP3 6877 7.052 13.417 -28.345 1.00 0.00 WT1 ATOM 4568 OH2 TIP3 7058 8.756 -6.528 -29.525 1.00 0.00 WT1 ATOM 4569 H1 TIP3 7058 8.661 -7.457 -29.868 1.00 0.00 WT1 ATOM 4570 H2 TIP3 7058 8.073 -6.553 -28.819 1.00 0.00 WT1 ATOM 4571 OH2 TIP3 7109 7.781 -8.807 -13.652 1.00 0.00 WT1 ATOM 4572 H1 TIP3 7109 8.366 -9.250 -12.979 1.00 0.00 WT1 ATOM 4573 H2 TIP3 7109 6.967 -9.206 -13.471 1.00 0.00 WT1 ATOM 4574 OH2 TIP3 7118 8.111 -0.582 -4.238 1.00 0.00 WT1 ATOM 4575 H1 TIP3 7118 8.189 -0.583 -5.216 1.00 0.00 WT1 ATOM 4576 H2 TIP3 7118 7.154 -0.585 -4.132 1.00 0.00 WT1 ATOM 4577 OH2 TIP3 7133 -10.227 -0.749 -6.083 1.00 0.00 WT1 ATOM 4578 H1 TIP3 7133 -9.792 -1.186 -6.781 1.00 0.00 WT1 ATOM 4579 H2 TIP3 7133 -11.132 -0.958 -6.208 1.00 0.00 WT1 ATOM 4580 OH2 TIP3 7196 -9.706 3.616 -10.059 1.00 0.00 WT1 ATOM 4581 H1 TIP3 7196 -10.141 3.143 -10.771 1.00 0.00 WT1 ATOM 4582 H2 TIP3 7196 -10.447 4.176 -9.790 1.00 0.00 WT1 ATOM 4583 OH2 TIP3 7215 0.937 6.028 -9.549 1.00 0.00 WT1 ATOM 4584 H1 TIP3 7215 0.057 5.672 -9.423 1.00 0.00 WT1 ATOM 4585 H2 TIP3 7215 1.057 5.893 -10.519 1.00 0.00 WT1 ATOM 4586 OH2 TIP3 7224 14.291 -3.047 -7.329 1.00 0.00 WT1 ATOM 4587 H1 TIP3 7224 14.482 -2.906 -8.304 1.00 0.00 WT1 ATOM 4588 H2 TIP3 7224 13.990 -2.189 -7.023 1.00 0.00 WT1 ATOM 4589 OH2 TIP3 7252 10.155 -0.415 -14.166 1.00 0.00 WT1 ATOM 4590 H1 TIP3 7252 9.796 -1.251 -13.806 1.00 0.00 WT1 ATOM 4591 H2 TIP3 7252 10.074 -0.571 -15.121 1.00 0.00 WT1 ATOM 4592 OH2 TIP3 7550 -14.725 -4.212 -1.892 1.00 0.00 WT1 ATOM 4593 H1 TIP3 7550 -14.751 -3.325 -1.501 1.00 0.00 WT1 ATOM 4594 H2 TIP3 7550 -14.866 -3.936 -2.857 1.00 0.00 WT1 ATOM 4595 OH2 TIP3 7554 -4.249 12.715 -5.602 1.00 0.00 WT1 ATOM 4596 H1 TIP3 7554 -4.854 12.277 -6.175 1.00 0.00 WT1 ATOM 4597 H2 TIP3 7554 -4.640 12.535 -4.705 1.00 0.00 WT1 ATOM 4598 OH2 TIP3 7563 -13.095 -0.838 -25.364 1.00 0.00 WT1 ATOM 4599 H1 TIP3 7563 -12.467 -0.202 -25.728 1.00 0.00 WT1 ATOM 4600 H2 TIP3 7563 -13.445 -1.262 -26.168 1.00 0.00 WT1 ATOM 4601 OH2 TIP3 7592 -18.731 0.334 -18.492 1.00 0.00 WT1 ATOM 4602 H1 TIP3 7592 -18.830 -0.572 -18.773 1.00 0.00 WT1 ATOM 4603 H2 TIP3 7592 -19.697 0.565 -18.641 1.00 0.00 WT1 ATOM 4604 OH2 TIP3 7605 -7.067 9.541 -34.823 1.00 0.00 WT1 ATOM 4605 H1 TIP3 7605 -6.308 10.081 -34.508 1.00 0.00 WT1 ATOM 4606 H2 TIP3 7605 -7.395 9.166 -34.050 1.00 0.00 WT1 ATOM 4607 OH2 TIP3 7634 -15.129 0.452 -6.869 1.00 0.00 WT1 ATOM 4608 H1 TIP3 7634 -15.870 0.782 -7.432 1.00 0.00 WT1 ATOM 4609 H2 TIP3 7634 -15.333 -0.479 -6.824 1.00 0.00 WT1 ATOM 4610 OH2 TIP3 7638 -15.052 -2.478 -11.872 1.00 0.00 WT1 ATOM 4611 H1 TIP3 7638 -15.435 -2.262 -10.995 1.00 0.00 WT1 ATOM 4612 H2 TIP3 7638 -14.114 -2.455 -11.735 1.00 0.00 WT1 ATOM 4613 OH2 TIP3 7661 -13.088 -5.869 -0.519 1.00 0.00 WT1 ATOM 4614 H1 TIP3 7661 -14.001 -5.536 -0.808 1.00 0.00 WT1 ATOM 4615 H2 TIP3 7661 -12.501 -5.121 -0.658 1.00 0.00 WT1 ATOM 4616 OH2 TIP3 7668 7.564 -0.836 -30.882 1.00 0.00 WT1 ATOM 4617 H1 TIP3 7668 7.257 -0.297 -30.080 1.00 0.00 WT1 ATOM 4618 H2 TIP3 7668 6.691 -0.796 -31.325 1.00 0.00 WT1 ATOM 4619 OH2 TIP3 7676 -7.719 3.143 2.214 1.00 0.00 WT1 ATOM 4620 H1 TIP3 7676 -8.107 2.823 3.038 1.00 0.00 WT1 ATOM 4621 H2 TIP3 7676 -6.989 2.564 2.211 1.00 0.00 WT1 ATOM 4622 OH2 TIP3 7716 0.209 16.478 -24.687 1.00 0.00 WT1 ATOM 4623 H1 TIP3 7716 0.491 16.539 -25.616 1.00 0.00 WT1 ATOM 4624 H2 TIP3 7716 1.039 16.320 -24.184 1.00 0.00 WT1 ATOM 4625 OH2 TIP3 7739 -5.056 -2.811 -40.130 1.00 0.00 WT1 ATOM 4626 H1 TIP3 7739 -5.437 -3.708 -40.038 1.00 0.00 WT1 ATOM 4627 H2 TIP3 7739 -5.898 -2.370 -39.948 1.00 0.00 WT1 ATOM 4628 OH2 TIP3 8014 -12.113 -6.855 -8.866 1.00 0.00 WT1 ATOM 4629 H1 TIP3 8014 -11.864 -5.933 -8.588 1.00 0.00 WT1 ATOM 4630 H2 TIP3 8014 -11.450 -7.401 -8.451 1.00 0.00 WT1 ATOM 4631 OH2 TIP3 8017 -18.579 4.276 10.600 1.00 0.00 WT1 ATOM 4632 H1 TIP3 8017 -18.544 4.042 9.672 1.00 0.00 WT1 ATOM 4633 H2 TIP3 8017 -18.719 5.225 10.514 1.00 0.00 WT1 ATOM 4634 OH2 TIP3 8029 -4.158 11.862 -25.608 1.00 0.00 WT1 ATOM 4635 H1 TIP3 8029 -3.491 11.565 -26.255 1.00 0.00 WT1 ATOM 4636 H2 TIP3 8029 -3.544 12.128 -24.926 1.00 0.00 WT1 ATOM 4637 OH2 TIP3 8055 -11.979 4.546 5.854 1.00 0.00 WT1 ATOM 4638 H1 TIP3 8055 -12.717 4.098 6.295 1.00 0.00 WT1 ATOM 4639 H2 TIP3 8055 -11.280 3.864 5.888 1.00 0.00 WT1 ATOM 4640 OH2 TIP3 8076 -14.211 0.905 -21.622 1.00 0.00 WT1 ATOM 4641 H1 TIP3 8076 -14.517 1.564 -22.345 1.00 0.00 WT1 ATOM 4642 H2 TIP3 8076 -14.184 0.046 -22.162 1.00 0.00 WT1 ATOM 4643 OH2 TIP3 8082 -13.450 -8.953 -0.598 1.00 0.00 WT1 ATOM 4644 H1 TIP3 8082 -13.459 -8.911 0.374 1.00 0.00 WT1 ATOM 4645 H2 TIP3 8082 -13.392 -7.992 -0.780 1.00 0.00 WT1 ATOM 4646 OH2 TIP3 8094 -13.758 1.161 -9.801 1.00 0.00 WT1 ATOM 4647 H1 TIP3 8094 -13.295 0.665 -10.501 1.00 0.00 WT1 ATOM 4648 H2 TIP3 8094 -13.901 2.075 -10.133 1.00 0.00 WT1 ATOM 4649 OH2 TIP3 8142 -16.115 3.240 11.020 1.00 0.00 WT1 ATOM 4650 H1 TIP3 8142 -16.967 3.678 11.151 1.00 0.00 WT1 ATOM 4651 H2 TIP3 8142 -15.595 3.891 11.562 1.00 0.00 WT1 ATOM 4652 OH2 TIP3 8202 10.495 7.690 -8.920 1.00 0.00 WT1 ATOM 4653 H1 TIP3 8202 11.124 8.235 -9.527 1.00 0.00 WT1 ATOM 4654 H2 TIP3 8202 10.948 7.586 -8.064 1.00 0.00 WT1 ATOM 4655 OH2 TIP3 8206 -19.157 6.271 -21.341 1.00 0.00 WT1 ATOM 4656 H1 TIP3 8206 -19.031 5.402 -21.736 1.00 0.00 WT1 ATOM 4657 H2 TIP3 8206 -18.349 6.549 -20.927 1.00 0.00 WT1 ATOM 4658 OH2 TIP3 8242 0.109 13.636 -18.585 1.00 0.00 WT1 ATOM 4659 H1 TIP3 8242 0.363 14.563 -18.821 1.00 0.00 WT1 ATOM 4660 H2 TIP3 8242 1.008 13.257 -18.533 1.00 0.00 WT1 ATOM 4661 OH2 TIP3 8364 -14.596 1.877 -36.999 1.00 0.00 WT1 ATOM 4662 H1 TIP3 8364 -15.133 1.136 -37.420 1.00 0.00 WT1 ATOM 4663 H2 TIP3 8364 -13.749 1.423 -36.962 1.00 0.00 WT1 ATOM 4664 OH2 TIP3 8394 -8.045 -12.994 -19.124 1.00 0.00 WT1 ATOM 4665 H1 TIP3 8394 -8.224 -13.436 -20.030 1.00 0.00 WT1 ATOM 4666 H2 TIP3 8394 -8.863 -12.437 -18.928 1.00 0.00 WT1 ATOM 4667 OH2 TIP3 8414 -10.275 -1.143 -2.923 1.00 0.00 WT1 ATOM 4668 H1 TIP3 8414 -9.569 -1.117 -3.565 1.00 0.00 WT1 ATOM 4669 H2 TIP3 8414 -10.854 -1.712 -3.493 1.00 0.00 WT1 ATOM 4670 OH2 TIP3 8415 -12.396 -2.384 0.310 1.00 0.00 WT1 ATOM 4671 H1 TIP3 8415 -13.181 -2.387 -0.280 1.00 0.00 WT1 ATOM 4672 H2 TIP3 8415 -12.554 -1.477 0.633 1.00 0.00 WT1 ATOM 4673 OH2 TIP3 8420 -3.409 -2.674 10.208 1.00 0.00 WT1 ATOM 4674 H1 TIP3 8420 -3.671 -3.306 10.927 1.00 0.00 WT1 ATOM 4675 H2 TIP3 8420 -3.243 -3.240 9.420 1.00 0.00 WT1 ATOM 4676 OH2 TIP3 8441 -18.442 -0.808 -25.629 1.00 0.00 WT1 ATOM 4677 H1 TIP3 8441 -17.697 -0.473 -26.119 1.00 0.00 WT1 ATOM 4678 H2 TIP3 8441 -18.016 -1.213 -24.854 1.00 0.00 WT1 ATOM 4679 OH2 TIP3 8443 -14.492 4.075 13.064 1.00 0.00 WT1 ATOM 4680 H1 TIP3 8443 -14.817 3.852 13.973 1.00 0.00 WT1 ATOM 4681 H2 TIP3 8443 -14.018 4.878 13.325 1.00 0.00 WT1 ATOM 4682 OH2 TIP3 8520 -5.758 5.636 6.448 1.00 0.00 WT1 ATOM 4683 H1 TIP3 8520 -6.701 5.484 6.637 1.00 0.00 WT1 ATOM 4684 H2 TIP3 8520 -5.749 6.614 6.456 1.00 0.00 WT1 ATOM 4685 OH2 TIP3 8548 -9.118 -4.241 -39.272 1.00 0.00 WT1 ATOM 4686 H1 TIP3 8548 -9.040 -5.193 -39.553 1.00 0.00 WT1 ATOM 4687 H2 TIP3 8548 -9.950 -4.198 -38.795 1.00 0.00 WT1 ATOM 4688 OH2 TIP3 8549 -17.358 3.073 -28.184 1.00 0.00 WT1 ATOM 4689 H1 TIP3 8549 -17.125 4.009 -28.253 1.00 0.00 WT1 ATOM 4690 H2 TIP3 8549 -17.525 3.068 -27.161 1.00 0.00 WT1 ATOM 4691 OH2 TIP3 8555 -7.555 2.998 -32.966 1.00 0.00 WT1 ATOM 4692 H1 TIP3 8555 -7.201 3.603 -32.311 1.00 0.00 WT1 ATOM 4693 H2 TIP3 8555 -8.041 3.615 -33.600 1.00 0.00 WT1 ATOM 4694 OH2 TIP3 8561 -9.930 7.434 -1.489 1.00 0.00 WT1 ATOM 4695 H1 TIP3 8561 -9.553 8.047 -0.806 1.00 0.00 WT1 ATOM 4696 H2 TIP3 8561 -9.133 7.292 -2.030 1.00 0.00 WT1 ATOM 4697 OH2 TIP3 8576 -0.411 2.847 -41.840 1.00 0.00 WT1 ATOM 4698 H1 TIP3 8576 -1.093 2.157 -41.735 1.00 0.00 WT1 ATOM 4699 H2 TIP3 8576 -1.048 3.503 -42.237 1.00 0.00 WT1 ATOM 4700 OH2 TIP3 8579 -10.020 3.102 -19.876 1.00 0.00 WT1 ATOM 4701 H1 TIP3 8579 -9.873 2.687 -20.803 1.00 0.00 WT1 ATOM 4702 H2 TIP3 8579 -10.881 2.779 -19.615 1.00 0.00 WT1 ATOM 4703 OH2 TIP3 8635 3.831 5.629 20.239 1.00 0.00 WT1 ATOM 4704 H1 TIP3 8635 4.240 4.759 19.956 1.00 0.00 WT1 ATOM 4705 H2 TIP3 8635 3.259 5.300 20.966 1.00 0.00 WT1 ATOM 4706 OH2 TIP3 8760 -8.433 1.013 -30.986 1.00 0.00 WT1 ATOM 4707 H1 TIP3 8760 -7.794 0.392 -31.197 1.00 0.00 WT1 ATOM 4708 H2 TIP3 8760 -8.327 1.598 -31.792 1.00 0.00 WT1 ATOM 4709 OH2 TIP3 8794 -3.540 -14.006 -6.108 1.00 0.00 WT1 ATOM 4710 H1 TIP3 8794 -4.238 -13.543 -6.634 1.00 0.00 WT1 ATOM 4711 H2 TIP3 8794 -3.042 -13.366 -5.593 1.00 0.00 WT1 ATOM 4712 OH2 TIP3 8801 -13.097 6.498 -32.966 1.00 0.00 WT1 ATOM 4713 H1 TIP3 8801 -12.837 7.412 -33.123 1.00 0.00 WT1 ATOM 4714 H2 TIP3 8801 -13.324 6.431 -32.021 1.00 0.00 WT1 ATOM 4715 OH2 TIP3 8813 5.040 -9.854 -12.714 1.00 0.00 WT1 ATOM 4716 H1 TIP3 8813 4.942 -9.169 -13.357 1.00 0.00 WT1 ATOM 4717 H2 TIP3 8813 4.263 -9.591 -12.167 1.00 0.00 WT1 ATOM 4718 OH2 TIP3 8852 -12.172 -10.061 -21.424 1.00 0.00 WT1 ATOM 4719 H1 TIP3 8852 -12.717 -9.421 -21.850 1.00 0.00 WT1 ATOM 4720 H2 TIP3 8852 -12.704 -10.033 -20.594 1.00 0.00 WT1 ATOM 4721 OH2 TIP3 8857 1.401 -11.299 9.015 1.00 0.00 WT1 ATOM 4722 H1 TIP3 8857 1.339 -10.462 8.556 1.00 0.00 WT1 ATOM 4723 H2 TIP3 8857 2.008 -11.813 8.381 1.00 0.00 WT1 ATOM 4724 OH2 TIP3 8865 -10.631 4.696 -26.914 1.00 0.00 WT1 ATOM 4725 H1 TIP3 8865 -11.066 4.252 -26.208 1.00 0.00 WT1 ATOM 4726 H2 TIP3 8865 -9.916 5.063 -26.442 1.00 0.00 WT1 ATOM 4727 OH2 TIP3 8887 2.043 14.592 -24.844 1.00 0.00 WT1 ATOM 4728 H1 TIP3 8887 2.685 15.139 -25.390 1.00 0.00 WT1 ATOM 4729 H2 TIP3 8887 2.640 13.750 -24.836 1.00 0.00 WT1 ATOM 4730 OH2 TIP3 8894 -9.350 -7.407 -3.875 1.00 0.00 WT1 ATOM 4731 H1 TIP3 8894 -8.721 -7.288 -4.605 1.00 0.00 WT1 ATOM 4732 H2 TIP3 8894 -9.141 -8.338 -3.578 1.00 0.00 WT1 ATOM 4733 OH2 TIP3 8896 -5.329 -8.790 -7.110 1.00 0.00 WT1 ATOM 4734 H1 TIP3 8896 -5.967 -9.427 -7.509 1.00 0.00 WT1 ATOM 4735 H2 TIP3 8896 -4.935 -8.527 -7.949 1.00 0.00 WT1 ATOM 4736 OH2 TIP3 8898 -12.942 -0.992 -6.916 1.00 0.00 WT1 ATOM 4737 H1 TIP3 8898 -13.781 -0.565 -7.006 1.00 0.00 WT1 ATOM 4738 H2 TIP3 8898 -13.182 -1.882 -7.077 1.00 0.00 WT1 ATOM 4739 OH2 TIP3 8899 -13.925 -2.019 14.613 1.00 0.00 WT1 ATOM 4740 H1 TIP3 8899 -14.841 -1.857 14.941 1.00 0.00 WT1 ATOM 4741 H2 TIP3 8899 -13.472 -2.513 15.420 1.00 0.00 WT1 ATOM 4742 OH2 TIP3 8908 -11.705 1.313 -26.712 1.00 0.00 WT1 ATOM 4743 H1 TIP3 8908 -12.549 1.714 -27.124 1.00 0.00 WT1 ATOM 4744 H2 TIP3 8908 -11.192 1.293 -27.500 1.00 0.00 WT1 ATOM 4745 OH2 TIP3 8918 -15.688 -1.038 -9.734 1.00 0.00 WT1 ATOM 4746 H1 TIP3 8918 -16.405 -0.369 -9.733 1.00 0.00 WT1 ATOM 4747 H2 TIP3 8918 -14.968 -0.392 -9.673 1.00 0.00 WT1 ATOM 4748 OH2 TIP3 8922 -1.350 1.446 12.211 1.00 0.00 WT1 ATOM 4749 H1 TIP3 8922 -1.471 2.138 12.915 1.00 0.00 WT1 ATOM 4750 H2 TIP3 8922 -0.483 1.140 12.542 1.00 0.00 WT1 ATOM 4751 OH2 TIP3 8923 -17.319 0.005 10.291 1.00 0.00 WT1 ATOM 4752 H1 TIP3 8923 -16.508 -0.516 10.296 1.00 0.00 WT1 ATOM 4753 H2 TIP3 8923 -17.388 0.376 11.197 1.00 0.00 WT1 ATOM 4754 OH2 TIP3 8926 -8.748 4.556 -34.750 1.00 0.00 WT1 ATOM 4755 H1 TIP3 8926 -8.962 5.502 -34.713 1.00 0.00 WT1 ATOM 4756 H2 TIP3 8926 -9.558 4.173 -35.192 1.00 0.00 WT1 ATOM 4757 OH2 TIP3 8928 -11.975 -11.064 -4.481 1.00 0.00 WT1 ATOM 4758 H1 TIP3 8928 -12.520 -10.279 -4.413 1.00 0.00 WT1 ATOM 4759 H2 TIP3 8928 -11.218 -10.704 -3.997 1.00 0.00 WT1 ATOM 4760 OH2 TIP3 8932 -7.405 -4.962 -35.762 1.00 0.00 WT1 ATOM 4761 H1 TIP3 8932 -7.308 -4.985 -34.775 1.00 0.00 WT1 ATOM 4762 H2 TIP3 8932 -7.889 -5.765 -35.969 1.00 0.00 WT1 ATOM 4763 OH2 TIP3 8936 -15.657 -1.313 1.944 1.00 0.00 WT1 ATOM 4764 H1 TIP3 8936 -15.473 -0.406 2.279 1.00 0.00 WT1 ATOM 4765 H2 TIP3 8936 -15.595 -1.865 2.798 1.00 0.00 WT1 ATOM 4766 OH2 TIP3 8939 -7.421 -10.290 -11.541 1.00 0.00 WT1 ATOM 4767 H1 TIP3 8939 -6.831 -9.775 -12.130 1.00 0.00 WT1 ATOM 4768 H2 TIP3 8939 -7.116 -11.150 -11.890 1.00 0.00 WT1 ATOM 4769 OH2 TIP3 8940 -10.045 -9.245 -11.035 1.00 0.00 WT1 ATOM 4770 H1 TIP3 8940 -9.830 -8.453 -10.446 1.00 0.00 WT1 ATOM 4771 H2 TIP3 8940 -9.200 -9.680 -11.281 1.00 0.00 WT1 ATOM 4772 OH2 TIP3 8947 6.329 9.191 6.395 1.00 0.00 WT1 ATOM 4773 H1 TIP3 8947 7.210 9.429 6.223 1.00 0.00 WT1 ATOM 4774 H2 TIP3 8947 6.019 8.676 5.610 1.00 0.00 WT1 ATOM 4775 OH2 TIP3 8959 -8.169 4.200 -7.018 1.00 0.00 WT1 ATOM 4776 H1 TIP3 8959 -8.646 3.354 -7.109 1.00 0.00 WT1 ATOM 4777 H2 TIP3 8959 -7.823 4.111 -6.045 1.00 0.00 WT1 ATOM 4778 OH2 TIP3 8960 -7.255 1.107 5.091 1.00 0.00 WT1 ATOM 4779 H1 TIP3 8960 -6.769 1.278 4.266 1.00 0.00 WT1 ATOM 4780 H2 TIP3 8960 -7.986 1.648 4.841 1.00 0.00 WT1 ATOM 4781 OH2 TIP3 8961 -13.748 -10.455 -14.296 1.00 0.00 WT1 ATOM 4782 H1 TIP3 8961 -13.553 -9.655 -14.755 1.00 0.00 WT1 ATOM 4783 H2 TIP3 8961 -13.464 -10.243 -13.417 1.00 0.00 WT1 ATOM 4784 OH2 TIP3 8962 -14.169 3.107 6.853 1.00 0.00 WT1 ATOM 4785 H1 TIP3 8962 -14.987 2.735 6.492 1.00 0.00 WT1 ATOM 4786 H2 TIP3 8962 -14.210 2.763 7.739 1.00 0.00 WT1 ATOM 4787 OH2 TIP3 8976 -10.750 10.781 -30.183 1.00 0.00 WT1 ATOM 4788 H1 TIP3 8976 -10.545 10.070 -29.558 1.00 0.00 WT1 ATOM 4789 H2 TIP3 8976 -11.228 11.353 -29.580 1.00 0.00 WT1 ATOM 4790 OH2 TIP3 8994 -12.394 4.752 -21.166 1.00 0.00 WT1 ATOM 4791 H1 TIP3 8994 -12.362 5.347 -20.400 1.00 0.00 WT1 ATOM 4792 H2 TIP3 8994 -12.059 3.897 -20.814 1.00 0.00 WT1 ATOM 4793 OH2 TIP3 9001 -5.362 5.295 -12.391 1.00 0.00 WT1 ATOM 4794 H1 TIP3 9001 -5.551 5.929 -13.174 1.00 0.00 WT1 ATOM 4795 H2 TIP3 9001 -6.264 5.184 -11.981 1.00 0.00 WT1 ATOM 4796 OH2 TIP3 9004 3.321 8.731 -9.344 1.00 0.00 WT1 ATOM 4797 H1 TIP3 9004 2.363 8.596 -9.589 1.00 0.00 WT1 ATOM 4798 H2 TIP3 9004 3.626 7.919 -9.765 1.00 0.00 WT1 ATOM 4799 OH2 TIP3 9022 -0.712 4.639 2.937 1.00 0.00 WT1 ATOM 4800 H1 TIP3 9022 -1.666 4.380 2.988 1.00 0.00 WT1 ATOM 4801 H2 TIP3 9022 -0.836 5.579 3.190 1.00 0.00 WT1 ATOM 4802 OH2 TIP3 9034 -10.054 10.889 -23.214 1.00 0.00 WT1 ATOM 4803 H1 TIP3 9034 -10.580 10.450 -22.489 1.00 0.00 WT1 ATOM 4804 H2 TIP3 9034 -9.329 11.291 -22.698 1.00 0.00 WT1 ATOM 4805 OH2 TIP3 9054 0.850 6.488 -28.041 1.00 0.00 WT1 ATOM 4806 H1 TIP3 9054 -0.087 6.293 -28.377 1.00 0.00 WT1 ATOM 4807 H2 TIP3 9054 1.183 6.832 -28.823 1.00 0.00 WT1 ATOM 4808 OH2 TIP3 9082 -7.369 -4.143 -33.092 1.00 0.00 WT1 ATOM 4809 H1 TIP3 9082 -7.353 -3.150 -32.915 1.00 0.00 WT1 ATOM 4810 H2 TIP3 9082 -6.637 -4.438 -32.522 1.00 0.00 WT1 ATOM 4811 OH2 TIP3 9084 -11.518 5.676 -9.324 1.00 0.00 WT1 ATOM 4812 H1 TIP3 9084 -11.819 5.215 -8.476 1.00 0.00 WT1 ATOM 4813 H2 TIP3 9084 -12.397 6.044 -9.587 1.00 0.00 WT1 ATOM 4814 OH2 TIP3 9109 1.142 2.629 2.328 1.00 0.00 WT1 ATOM 4815 H1 TIP3 9109 0.442 3.355 2.375 1.00 0.00 WT1 ATOM 4816 H2 TIP3 9109 1.676 2.837 3.099 1.00 0.00 WT1 ATOM 4817 OH2 TIP3 9129 -14.821 5.710 -0.477 1.00 0.00 WT1 ATOM 4818 H1 TIP3 9129 -14.658 6.037 0.505 1.00 0.00 WT1 ATOM 4819 H2 TIP3 9129 -14.379 6.479 -0.888 1.00 0.00 WT1 ATOM 4820 OH2 TIP3 9134 -8.037 4.650 -12.151 1.00 0.00 WT1 ATOM 4821 H1 TIP3 9134 -8.542 3.962 -11.569 1.00 0.00 WT1 ATOM 4822 H2 TIP3 9134 -8.703 4.890 -12.852 1.00 0.00 WT1 ATOM 4823 OH2 TIP3 9234 -11.454 -10.788 -0.505 1.00 0.00 WT1 ATOM 4824 H1 TIP3 9234 -11.506 -10.833 0.467 1.00 0.00 WT1 ATOM 4825 H2 TIP3 9234 -12.189 -10.245 -0.850 1.00 0.00 WT1 ATOM 4826 OH2 TIP3 44 -4.089 0.602 4.799 1.00 0.00 WT2 ATOM 4827 H1 TIP3 44 -3.449 -0.164 4.973 1.00 0.00 WT2 ATOM 4828 H2 TIP3 44 -4.509 0.855 5.646 1.00 0.00 WT2 ATOM 4829 OH2 TIP3 47 -1.136 -10.898 19.021 1.00 0.00 WT2 ATOM 4830 H1 TIP3 47 -1.403 -11.011 19.996 1.00 0.00 WT2 ATOM 4831 H2 TIP3 47 -2.008 -10.912 18.622 1.00 0.00 WT2 ATOM 4832 OH2 TIP3 86 -6.083 1.873 24.222 1.00 0.00 WT2 ATOM 4833 H1 TIP3 86 -5.705 1.863 25.147 1.00 0.00 WT2 ATOM 4834 H2 TIP3 86 -5.913 2.777 23.910 1.00 0.00 WT2 ATOM 4835 OH2 TIP3 90 3.656 -1.238 36.088 1.00 0.00 WT2 ATOM 4836 H1 TIP3 90 4.059 -0.979 36.924 1.00 0.00 WT2 ATOM 4837 H2 TIP3 90 3.555 -0.396 35.641 1.00 0.00 WT2 ATOM 4838 OH2 TIP3 112 4.545 -13.552 17.549 1.00 0.00 WT2 ATOM 4839 H1 TIP3 112 5.150 -13.054 18.112 1.00 0.00 WT2 ATOM 4840 H2 TIP3 112 5.045 -14.449 17.531 1.00 0.00 WT2 ATOM 4841 OH2 TIP3 125 14.501 1.376 0.967 1.00 0.00 WT2 ATOM 4842 H1 TIP3 125 13.879 0.607 0.926 1.00 0.00 WT2 ATOM 4843 H2 TIP3 125 14.980 1.391 1.830 1.00 0.00 WT2 ATOM 4844 OH2 TIP3 145 -11.182 11.541 10.665 1.00 0.00 WT2 ATOM 4845 H1 TIP3 145 -11.795 12.241 10.959 1.00 0.00 WT2 ATOM 4846 H2 TIP3 145 -10.803 11.213 11.477 1.00 0.00 WT2 ATOM 4847 OH2 TIP3 152 9.122 -8.223 19.664 1.00 0.00 WT2 ATOM 4848 H1 TIP3 152 8.290 -8.350 19.129 1.00 0.00 WT2 ATOM 4849 H2 TIP3 152 8.765 -8.001 20.575 1.00 0.00 WT2 ATOM 4850 OH2 TIP3 212 -0.874 11.813 27.616 1.00 0.00 WT2 ATOM 4851 H1 TIP3 212 -0.413 11.026 28.014 1.00 0.00 WT2 ATOM 4852 H2 TIP3 212 -1.733 11.372 27.529 1.00 0.00 WT2 ATOM 4853 OH2 TIP3 218 10.391 13.021 25.398 1.00 0.00 WT2 ATOM 4854 H1 TIP3 218 10.314 12.131 25.078 1.00 0.00 WT2 ATOM 4855 H2 TIP3 218 10.494 13.544 24.600 1.00 0.00 WT2 ATOM 4856 OH2 TIP3 239 -1.450 1.120 21.896 1.00 0.00 WT2 ATOM 4857 H1 TIP3 239 -0.630 1.019 21.363 1.00 0.00 WT2 ATOM 4858 H2 TIP3 239 -2.048 1.654 21.268 1.00 0.00 WT2 ATOM 4859 OH2 TIP3 253 -1.222 3.836 8.177 1.00 0.00 WT2 ATOM 4860 H1 TIP3 253 -1.501 4.770 8.361 1.00 0.00 WT2 ATOM 4861 H2 TIP3 253 -2.129 3.377 7.993 1.00 0.00 WT2 ATOM 4862 OH2 TIP3 424 6.765 -15.193 21.717 1.00 0.00 WT2 ATOM 4863 H1 TIP3 424 6.247 -15.653 21.052 1.00 0.00 WT2 ATOM 4864 H2 TIP3 424 6.004 -14.566 22.003 1.00 0.00 WT2 ATOM 4865 OH2 TIP3 507 3.348 10.520 0.482 1.00 0.00 WT2 ATOM 4866 H1 TIP3 507 2.815 9.787 0.734 1.00 0.00 WT2 ATOM 4867 H2 TIP3 507 3.847 10.041 -0.222 1.00 0.00 WT2 ATOM 4868 OH2 TIP3 508 15.257 -4.035 17.678 1.00 0.00 WT2 ATOM 4869 H1 TIP3 508 15.662 -3.923 18.541 1.00 0.00 WT2 ATOM 4870 H2 TIP3 508 14.708 -4.765 17.910 1.00 0.00 WT2 ATOM 4871 OH2 TIP3 512 0.398 -16.297 19.546 1.00 0.00 WT2 ATOM 4872 H1 TIP3 512 -0.076 -15.438 19.460 1.00 0.00 WT2 ATOM 4873 H2 TIP3 512 -0.156 -16.658 20.267 1.00 0.00 WT2 ATOM 4874 OH2 TIP3 517 -4.046 -6.335 27.701 1.00 0.00 WT2 ATOM 4875 H1 TIP3 517 -3.818 -7.144 27.249 1.00 0.00 WT2 ATOM 4876 H2 TIP3 517 -3.332 -6.172 28.306 1.00 0.00 WT2 ATOM 4877 OH2 TIP3 549 3.262 7.218 36.679 1.00 0.00 WT2 ATOM 4878 H1 TIP3 549 3.562 6.387 37.153 1.00 0.00 WT2 ATOM 4879 H2 TIP3 549 4.086 7.626 36.527 1.00 0.00 WT2 ATOM 4880 OH2 TIP3 568 -4.958 11.422 7.546 1.00 0.00 WT2 ATOM 4881 H1 TIP3 568 -3.949 11.289 7.337 1.00 0.00 WT2 ATOM 4882 H2 TIP3 568 -4.972 12.151 8.217 1.00 0.00 WT2 ATOM 4883 OH2 TIP3 592 -3.498 -5.041 23.050 1.00 0.00 WT2 ATOM 4884 H1 TIP3 592 -4.097 -4.826 23.803 1.00 0.00 WT2 ATOM 4885 H2 TIP3 592 -3.985 -4.645 22.250 1.00 0.00 WT2 ATOM 4886 OH2 TIP3 632 -12.698 3.131 11.050 1.00 0.00 WT2 ATOM 4887 H1 TIP3 632 -13.317 3.447 11.724 1.00 0.00 WT2 ATOM 4888 H2 TIP3 632 -12.230 2.331 11.367 1.00 0.00 WT2 ATOM 4889 OH2 TIP3 634 -4.324 -15.238 14.965 1.00 0.00 WT2 ATOM 4890 H1 TIP3 634 -3.536 -14.921 14.459 1.00 0.00 WT2 ATOM 4891 H2 TIP3 634 -4.913 -15.347 14.170 1.00 0.00 WT2 ATOM 4892 OH2 TIP3 659 -9.141 -8.418 23.227 1.00 0.00 WT2 ATOM 4893 H1 TIP3 659 -8.318 -8.058 23.686 1.00 0.00 WT2 ATOM 4894 H2 TIP3 659 -8.925 -9.380 23.116 1.00 0.00 WT2 ATOM 4895 OH2 TIP3 741 -4.169 9.620 22.865 1.00 0.00 WT2 ATOM 4896 H1 TIP3 741 -3.714 10.387 22.528 1.00 0.00 WT2 ATOM 4897 H2 TIP3 741 -4.721 10.063 23.505 1.00 0.00 WT2 ATOM 4898 OH2 TIP3 887 7.503 -10.218 10.176 1.00 0.00 WT2 ATOM 4899 H1 TIP3 887 7.202 -10.157 9.258 1.00 0.00 WT2 ATOM 4900 H2 TIP3 887 8.065 -10.970 10.164 1.00 0.00 WT2 ATOM 4901 OH2 TIP3 891 -8.500 -4.909 24.221 1.00 0.00 WT2 ATOM 4902 H1 TIP3 891 -8.269 -5.011 25.188 1.00 0.00 WT2 ATOM 4903 H2 TIP3 891 -8.897 -5.799 24.086 1.00 0.00 WT2 ATOM 4904 OH2 TIP3 907 3.415 -8.509 33.624 1.00 0.00 WT2 ATOM 4905 H1 TIP3 907 4.214 -7.949 33.558 1.00 0.00 WT2 ATOM 4906 H2 TIP3 907 3.803 -9.378 33.391 1.00 0.00 WT2 ATOM 4907 OH2 TIP3 924 -11.019 9.888 21.975 1.00 0.00 WT2 ATOM 4908 H1 TIP3 924 -11.262 10.256 22.888 1.00 0.00 WT2 ATOM 4909 H2 TIP3 924 -11.570 9.065 22.020 1.00 0.00 WT2 ATOM 4910 OH2 TIP3 929 -4.912 2.806 14.233 1.00 0.00 WT2 ATOM 4911 H1 TIP3 929 -4.159 2.570 14.871 1.00 0.00 WT2 ATOM 4912 H2 TIP3 929 -4.445 3.382 13.715 1.00 0.00 WT2 ATOM 4913 OH2 TIP3 951 -4.098 -1.719 26.450 1.00 0.00 WT2 ATOM 4914 H1 TIP3 951 -4.487 -1.537 25.569 1.00 0.00 WT2 ATOM 4915 H2 TIP3 951 -3.258 -1.216 26.457 1.00 0.00 WT2 ATOM 4916 OH2 TIP3 952 5.441 -9.603 16.344 1.00 0.00 WT2 ATOM 4917 H1 TIP3 952 4.748 -10.230 16.073 1.00 0.00 WT2 ATOM 4918 H2 TIP3 952 5.431 -8.918 15.644 1.00 0.00 WT2 ATOM 4919 OH2 TIP3 964 -12.003 8.447 11.379 1.00 0.00 WT2 ATOM 4920 H1 TIP3 964 -11.773 9.275 11.729 1.00 0.00 WT2 ATOM 4921 H2 TIP3 964 -11.177 8.196 10.967 1.00 0.00 WT2 ATOM 4922 OH2 TIP3 970 -1.408 9.353 13.264 1.00 0.00 WT2 ATOM 4923 H1 TIP3 970 -0.537 9.065 13.598 1.00 0.00 WT2 ATOM 4924 H2 TIP3 970 -1.972 8.699 13.658 1.00 0.00 WT2 ATOM 4925 OH2 TIP3 972 -4.432 -8.290 18.201 1.00 0.00 WT2 ATOM 4926 H1 TIP3 972 -4.676 -8.519 17.287 1.00 0.00 WT2 ATOM 4927 H2 TIP3 972 -4.023 -9.163 18.485 1.00 0.00 WT2 ATOM 4928 OH2 TIP3 973 6.430 -8.222 32.914 1.00 0.00 WT2 ATOM 4929 H1 TIP3 973 7.207 -8.762 32.768 1.00 0.00 WT2 ATOM 4930 H2 TIP3 973 5.840 -8.549 32.188 1.00 0.00 WT2 ATOM 4931 OH2 TIP3 985 13.797 11.459 14.114 1.00 0.00 WT2 ATOM 4932 H1 TIP3 985 13.965 10.659 14.658 1.00 0.00 WT2 ATOM 4933 H2 TIP3 985 14.183 12.075 14.678 1.00 0.00 WT2 ATOM 4934 OH2 TIP3 987 -13.858 6.896 5.196 1.00 0.00 WT2 ATOM 4935 H1 TIP3 987 -13.043 7.365 5.075 1.00 0.00 WT2 ATOM 4936 H2 TIP3 987 -13.910 6.698 6.116 1.00 0.00 WT2 ATOM 4937 OH2 TIP3 988 -7.302 9.060 8.857 1.00 0.00 WT2 ATOM 4938 H1 TIP3 988 -6.661 8.467 9.251 1.00 0.00 WT2 ATOM 4939 H2 TIP3 988 -7.090 9.892 9.191 1.00 0.00 WT2 ATOM 4940 OH2 TIP3 990 5.108 14.012 27.551 1.00 0.00 WT2 ATOM 4941 H1 TIP3 990 5.627 13.215 27.137 1.00 0.00 WT2 ATOM 4942 H2 TIP3 990 5.276 13.957 28.534 1.00 0.00 WT2 ATOM 4943 OH2 TIP3 991 -15.182 1.156 12.331 1.00 0.00 WT2 ATOM 4944 H1 TIP3 991 -15.563 1.870 11.784 1.00 0.00 WT2 ATOM 4945 H2 TIP3 991 -14.576 1.690 12.855 1.00 0.00 WT2 ATOM 4946 OH2 TIP3 1011 -15.951 3.585 18.454 1.00 0.00 WT2 ATOM 4947 H1 TIP3 1011 -15.651 3.014 19.213 1.00 0.00 WT2 ATOM 4948 H2 TIP3 1011 -15.187 4.220 18.427 1.00 0.00 WT2 ATOM 4949 OH2 TIP3 1014 -7.931 -5.461 26.717 1.00 0.00 WT2 ATOM 4950 H1 TIP3 1014 -7.802 -4.851 27.411 1.00 0.00 WT2 ATOM 4951 H2 TIP3 1014 -7.558 -6.256 27.053 1.00 0.00 WT2 ATOM 4952 OH2 TIP3 1015 5.503 2.366 39.588 1.00 0.00 WT2 ATOM 4953 H1 TIP3 1015 6.436 2.600 39.751 1.00 0.00 WT2 ATOM 4954 H2 TIP3 1015 5.079 3.157 39.132 1.00 0.00 WT2 ATOM 4955 OH2 TIP3 1017 -8.931 -6.888 20.713 1.00 0.00 WT2 ATOM 4956 H1 TIP3 1017 -9.397 -7.718 20.305 1.00 0.00 WT2 ATOM 4957 H2 TIP3 1017 -8.925 -7.367 21.591 1.00 0.00 WT2 ATOM 4958 OH2 TIP3 1027 9.675 -14.236 30.124 1.00 0.00 WT2 ATOM 4959 H1 TIP3 1027 9.567 -14.118 29.193 1.00 0.00 WT2 ATOM 4960 H2 TIP3 1027 10.485 -13.900 30.329 1.00 0.00 WT2 ATOM 4961 OH2 TIP3 1033 1.842 8.835 9.452 1.00 0.00 WT2 ATOM 4962 H1 TIP3 1033 1.388 8.389 8.695 1.00 0.00 WT2 ATOM 4963 H2 TIP3 1033 2.476 9.439 9.123 1.00 0.00 WT2 ATOM 4964 OH2 TIP3 1040 -1.919 -16.073 16.463 1.00 0.00 WT2 ATOM 4965 H1 TIP3 1040 -2.709 -16.554 16.621 1.00 0.00 WT2 ATOM 4966 H2 TIP3 1040 -2.132 -15.596 15.629 1.00 0.00 WT2 ATOM 4967 OH2 TIP3 1053 -16.400 -7.887 22.000 1.00 0.00 WT2 ATOM 4968 H1 TIP3 1053 -16.850 -8.749 21.973 1.00 0.00 WT2 ATOM 4969 H2 TIP3 1053 -15.770 -8.088 21.326 1.00 0.00 WT2 ATOM 4970 OH2 TIP3 1054 -4.627 5.694 26.505 1.00 0.00 WT2 ATOM 4971 H1 TIP3 1054 -4.477 5.043 27.220 1.00 0.00 WT2 ATOM 4972 H2 TIP3 1054 -4.836 6.524 27.028 1.00 0.00 WT2 ATOM 4973 OH2 TIP3 1059 -8.308 -7.974 14.710 1.00 0.00 WT2 ATOM 4974 H1 TIP3 1059 -7.984 -8.432 13.943 1.00 0.00 WT2 ATOM 4975 H2 TIP3 1059 -8.757 -7.267 14.227 1.00 0.00 WT2 ATOM 4976 OH2 TIP3 1197 5.041 16.510 4.268 1.00 0.00 WT2 ATOM 4977 H1 TIP3 1197 5.230 17.250 4.853 1.00 0.00 WT2 ATOM 4978 H2 TIP3 1197 4.208 16.262 4.643 1.00 0.00 WT2 ATOM 4979 OH2 TIP3 1202 1.048 -2.344 36.914 1.00 0.00 WT2 ATOM 4980 H1 TIP3 1202 1.044 -2.991 36.152 1.00 0.00 WT2 ATOM 4981 H2 TIP3 1202 1.943 -1.974 36.957 1.00 0.00 WT2 ATOM 4982 OH2 TIP3 1307 -7.227 -10.455 13.712 1.00 0.00 WT2 ATOM 4983 H1 TIP3 1307 -6.831 -10.470 12.773 1.00 0.00 WT2 ATOM 4984 H2 TIP3 1307 -8.106 -10.834 13.565 1.00 0.00 WT2 ATOM 4985 OH2 TIP3 1308 -5.439 -13.998 17.466 1.00 0.00 WT2 ATOM 4986 H1 TIP3 1308 -5.758 -13.216 16.982 1.00 0.00 WT2 ATOM 4987 H2 TIP3 1308 -4.933 -14.500 16.804 1.00 0.00 WT2 ATOM 4988 OH2 TIP3 1327 3.056 -15.516 20.039 1.00 0.00 WT2 ATOM 4989 H1 TIP3 1327 2.954 -14.585 19.741 1.00 0.00 WT2 ATOM 4990 H2 TIP3 1327 2.236 -15.921 19.841 1.00 0.00 WT2 ATOM 4991 OH2 TIP3 1329 11.592 -1.671 5.256 1.00 0.00 WT2 ATOM 4992 H1 TIP3 1329 11.314 -2.158 6.084 1.00 0.00 WT2 ATOM 4993 H2 TIP3 1329 11.448 -0.730 5.564 1.00 0.00 WT2 ATOM 4994 OH2 TIP3 1330 -0.626 -8.645 26.502 1.00 0.00 WT2 ATOM 4995 H1 TIP3 1330 -0.009 -8.529 27.269 1.00 0.00 WT2 ATOM 4996 H2 TIP3 1330 -0.175 -8.160 25.792 1.00 0.00 WT2 ATOM 4997 OH2 TIP3 1344 -5.557 4.895 9.788 1.00 0.00 WT2 ATOM 4998 H1 TIP3 1344 -4.808 4.625 9.210 1.00 0.00 WT2 ATOM 4999 H2 TIP3 1344 -5.585 5.871 9.666 1.00 0.00 WT2 ATOM 5000 OH2 TIP3 1346 -2.434 -10.919 12.193 1.00 0.00 WT2 ATOM 5001 H1 TIP3 1346 -1.554 -11.205 11.953 1.00 0.00 WT2 ATOM 5002 H2 TIP3 1346 -2.889 -10.660 11.329 1.00 0.00 WT2 ATOM 5003 OH2 TIP3 1347 5.554 -9.656 30.576 1.00 0.00 WT2 ATOM 5004 H1 TIP3 1347 6.508 -9.429 30.371 1.00 0.00 WT2 ATOM 5005 H2 TIP3 1347 5.309 -9.760 29.654 1.00 0.00 WT2 ATOM 5006 OH2 TIP3 1349 -11.273 -10.612 22.415 1.00 0.00 WT2 ATOM 5007 H1 TIP3 1349 -11.694 -9.877 22.892 1.00 0.00 WT2 ATOM 5008 H2 TIP3 1349 -10.459 -10.740 22.947 1.00 0.00 WT2 ATOM 5009 OH2 TIP3 1367 -1.976 5.948 14.852 1.00 0.00 WT2 ATOM 5010 H1 TIP3 1367 -1.985 5.378 15.632 1.00 0.00 WT2 ATOM 5011 H2 TIP3 1367 -2.373 6.827 15.227 1.00 0.00 WT2 ATOM 5012 OH2 TIP3 1368 4.250 -12.744 14.934 1.00 0.00 WT2 ATOM 5013 H1 TIP3 1368 4.482 -13.129 15.832 1.00 0.00 WT2 ATOM 5014 H2 TIP3 1368 3.251 -12.615 15.044 1.00 0.00 WT2 ATOM 5015 OH2 TIP3 1371 -5.972 -7.248 21.087 1.00 0.00 WT2 ATOM 5016 H1 TIP3 1371 -6.668 -6.776 20.553 1.00 0.00 WT2 ATOM 5017 H2 TIP3 1371 -5.165 -7.056 20.577 1.00 0.00 WT2 ATOM 5018 OH2 TIP3 1388 -9.948 -11.274 12.537 1.00 0.00 WT2 ATOM 5019 H1 TIP3 1388 -10.002 -10.323 12.365 1.00 0.00 WT2 ATOM 5020 H2 TIP3 1388 -10.855 -11.456 12.312 1.00 0.00 WT2 ATOM 5021 OH2 TIP3 1389 -1.230 -16.104 10.410 1.00 0.00 WT2 ATOM 5022 H1 TIP3 1389 -0.399 -15.574 10.112 1.00 0.00 WT2 ATOM 5023 H2 TIP3 1389 -1.167 -16.912 9.801 1.00 0.00 WT2 ATOM 5024 OH2 TIP3 1392 -12.130 -8.992 20.244 1.00 0.00 WT2 ATOM 5025 H1 TIP3 1392 -12.059 -9.322 21.161 1.00 0.00 WT2 ATOM 5026 H2 TIP3 1392 -11.212 -9.230 19.965 1.00 0.00 WT2 ATOM 5027 OH2 TIP3 1407 0.802 -9.071 13.518 1.00 0.00 WT2 ATOM 5028 H1 TIP3 1407 0.627 -8.156 13.472 1.00 0.00 WT2 ATOM 5029 H2 TIP3 1407 0.255 -9.454 12.809 1.00 0.00 WT2 ATOM 5030 OH2 TIP3 1408 -4.037 -0.650 21.974 1.00 0.00 WT2 ATOM 5031 H1 TIP3 1408 -4.421 0.193 21.709 1.00 0.00 WT2 ATOM 5032 H2 TIP3 1408 -3.206 -0.346 22.362 1.00 0.00 WT2 ATOM 5033 OH2 TIP3 1411 -9.711 -9.357 16.751 1.00 0.00 WT2 ATOM 5034 H1 TIP3 1411 -9.994 -10.199 16.353 1.00 0.00 WT2 ATOM 5035 H2 TIP3 1411 -9.170 -8.900 16.144 1.00 0.00 WT2 ATOM 5036 OH2 TIP3 1413 6.374 -15.517 27.191 1.00 0.00 WT2 ATOM 5037 H1 TIP3 1413 6.462 -14.773 26.546 1.00 0.00 WT2 ATOM 5038 H2 TIP3 1413 6.262 -16.256 26.520 1.00 0.00 WT2 ATOM 5039 OH2 TIP3 1415 -3.880 0.222 34.891 1.00 0.00 WT2 ATOM 5040 H1 TIP3 1415 -3.593 -0.656 34.479 1.00 0.00 WT2 ATOM 5041 H2 TIP3 1415 -3.032 0.575 35.329 1.00 0.00 WT2 ATOM 5042 OH2 TIP3 1417 -1.398 -4.598 26.491 1.00 0.00 WT2 ATOM 5043 H1 TIP3 1417 -0.725 -3.962 26.177 1.00 0.00 WT2 ATOM 5044 H2 TIP3 1417 -1.886 -4.040 27.115 1.00 0.00 WT2 ATOM 5045 OH2 TIP3 1425 -9.415 -9.347 19.355 1.00 0.00 WT2 ATOM 5046 H1 TIP3 1425 -9.343 -9.295 18.430 1.00 0.00 WT2 ATOM 5047 H2 TIP3 1425 -8.729 -10.075 19.481 1.00 0.00 WT2 ATOM 5048 OH2 TIP3 1427 -15.223 -2.493 18.016 1.00 0.00 WT2 ATOM 5049 H1 TIP3 1427 -15.831 -3.126 18.494 1.00 0.00 WT2 ATOM 5050 H2 TIP3 1427 -15.127 -1.919 18.784 1.00 0.00 WT2 ATOM 5051 OH2 TIP3 1430 3.601 -15.965 15.755 1.00 0.00 WT2 ATOM 5052 H1 TIP3 1430 2.651 -15.834 16.022 1.00 0.00 WT2 ATOM 5053 H2 TIP3 1430 3.352 -16.123 14.820 1.00 0.00 WT2 ATOM 5054 OH2 TIP3 1452 -18.513 1.643 5.831 1.00 0.00 WT2 ATOM 5055 H1 TIP3 1452 -18.968 1.276 6.557 1.00 0.00 WT2 ATOM 5056 H2 TIP3 1452 -18.874 1.123 5.157 1.00 0.00 WT2 ATOM 5057 OH2 TIP3 1454 -11.687 -3.081 20.866 1.00 0.00 WT2 ATOM 5058 H1 TIP3 1454 -11.339 -2.290 20.374 1.00 0.00 WT2 ATOM 5059 H2 TIP3 1454 -11.044 -3.714 20.522 1.00 0.00 WT2 ATOM 5060 OH2 TIP3 1457 -14.080 -6.044 22.387 1.00 0.00 WT2 ATOM 5061 H1 TIP3 1457 -14.885 -6.466 22.664 1.00 0.00 WT2 ATOM 5062 H2 TIP3 1457 -13.888 -6.592 21.574 1.00 0.00 WT2 ATOM 5063 OH2 TIP3 1471 7.835 -10.389 13.000 1.00 0.00 WT2 ATOM 5064 H1 TIP3 1471 7.792 -10.113 12.042 1.00 0.00 WT2 ATOM 5065 H2 TIP3 1471 6.907 -10.622 13.145 1.00 0.00 WT2 ATOM 5066 OH2 TIP3 1474 -8.851 2.799 22.533 1.00 0.00 WT2 ATOM 5067 H1 TIP3 1474 -8.849 3.792 22.479 1.00 0.00 WT2 ATOM 5068 H2 TIP3 1474 -8.620 2.560 21.594 1.00 0.00 WT2 ATOM 5069 OH2 TIP3 1475 -4.384 -10.048 20.799 1.00 0.00 WT2 ATOM 5070 H1 TIP3 1475 -4.674 -9.168 21.148 1.00 0.00 WT2 ATOM 5071 H2 TIP3 1475 -3.456 -10.243 21.245 1.00 0.00 WT2 ATOM 5072 OH2 TIP3 1478 -3.161 7.109 35.520 1.00 0.00 WT2 ATOM 5073 H1 TIP3 1478 -2.475 7.380 36.152 1.00 0.00 WT2 ATOM 5074 H2 TIP3 1478 -3.162 6.182 35.699 1.00 0.00 WT2 ATOM 5075 OH2 TIP3 1499 0.964 10.976 18.975 1.00 0.00 WT2 ATOM 5076 H1 TIP3 1499 0.245 11.578 19.100 1.00 0.00 WT2 ATOM 5077 H2 TIP3 1499 1.326 10.937 19.889 1.00 0.00 WT2 ATOM 5078 OH2 TIP3 1512 -12.743 -3.242 16.986 1.00 0.00 WT2 ATOM 5079 H1 TIP3 1512 -12.583 -4.247 17.065 1.00 0.00 WT2 ATOM 5080 H2 TIP3 1512 -13.456 -3.213 17.661 1.00 0.00 WT2 ATOM 5081 OH2 TIP3 1519 -7.531 -0.658 20.211 1.00 0.00 WT2 ATOM 5082 H1 TIP3 1519 -6.991 -1.468 20.023 1.00 0.00 WT2 ATOM 5083 H2 TIP3 1519 -7.631 -0.839 21.157 1.00 0.00 WT2 ATOM 5084 OH2 TIP3 1531 -1.498 2.061 19.090 1.00 0.00 WT2 ATOM 5085 H1 TIP3 1531 -1.262 2.985 19.157 1.00 0.00 WT2 ATOM 5086 H2 TIP3 1531 -0.828 1.768 18.483 1.00 0.00 WT2 ATOM 5087 OH2 TIP3 1532 -3.277 4.693 24.263 1.00 0.00 WT2 ATOM 5088 H1 TIP3 1532 -3.643 4.882 25.150 1.00 0.00 WT2 ATOM 5089 H2 TIP3 1532 -2.543 4.058 24.520 1.00 0.00 WT2 ATOM 5090 OH2 TIP3 1537 -7.556 -1.213 16.368 1.00 0.00 WT2 ATOM 5091 H1 TIP3 1537 -7.151 -0.509 16.886 1.00 0.00 WT2 ATOM 5092 H2 TIP3 1537 -8.098 -1.634 16.992 1.00 0.00 WT2 ATOM 5093 OH2 TIP3 1538 -10.825 -0.684 19.975 1.00 0.00 WT2 ATOM 5094 H1 TIP3 1538 -9.931 -0.558 19.800 1.00 0.00 WT2 ATOM 5095 H2 TIP3 1538 -11.108 0.183 20.323 1.00 0.00 WT2 ATOM 5096 OH2 TIP3 1540 9.936 13.201 22.673 1.00 0.00 WT2 ATOM 5097 H1 TIP3 1540 10.025 13.977 22.067 1.00 0.00 WT2 ATOM 5098 H2 TIP3 1540 10.123 12.444 22.017 1.00 0.00 WT2 ATOM 5099 OH2 TIP3 1542 -0.085 9.716 34.920 1.00 0.00 WT2 ATOM 5100 H1 TIP3 1542 0.264 10.578 35.240 1.00 0.00 WT2 ATOM 5101 H2 TIP3 1542 0.774 9.226 34.648 1.00 0.00 WT2 ATOM 5102 OH2 TIP3 1582 -9.335 -6.272 17.882 1.00 0.00 WT2 ATOM 5103 H1 TIP3 1582 -8.583 -6.996 17.746 1.00 0.00 WT2 ATOM 5104 H2 TIP3 1582 -9.111 -6.060 18.841 1.00 0.00 WT2 ATOM 5105 OH2 TIP3 1583 19.427 3.247 24.020 1.00 0.00 WT2 ATOM 5106 H1 TIP3 1583 19.873 3.411 24.882 1.00 0.00 WT2 ATOM 5107 H2 TIP3 1583 18.944 2.470 24.270 1.00 0.00 WT2 ATOM 5108 OH2 TIP3 1601 -2.476 1.534 38.600 1.00 0.00 WT2 ATOM 5109 H1 TIP3 1601 -1.878 2.022 39.101 1.00 0.00 WT2 ATOM 5110 H2 TIP3 1601 -1.956 0.735 38.612 1.00 0.00 WT2 ATOM 5111 OH2 TIP3 1638 3.366 13.544 12.857 1.00 0.00 WT2 ATOM 5112 H1 TIP3 1638 3.858 12.777 12.690 1.00 0.00 WT2 ATOM 5113 H2 TIP3 1638 2.460 13.150 13.003 1.00 0.00 WT2 ATOM 5114 OH2 TIP3 1750 -5.662 5.580 17.962 1.00 0.00 WT2 ATOM 5115 H1 TIP3 1750 -6.300 5.173 18.578 1.00 0.00 WT2 ATOM 5116 H2 TIP3 1750 -6.222 5.998 17.257 1.00 0.00 WT2 ATOM 5117 OH2 TIP3 1766 -13.515 3.087 21.811 1.00 0.00 WT2 ATOM 5118 H1 TIP3 1766 -13.561 2.212 22.235 1.00 0.00 WT2 ATOM 5119 H2 TIP3 1766 -13.689 2.758 20.932 1.00 0.00 WT2 ATOM 5120 OH2 TIP3 1788 -7.928 -2.974 22.245 1.00 0.00 WT2 ATOM 5121 H1 TIP3 1788 -7.762 -2.265 22.821 1.00 0.00 WT2 ATOM 5122 H2 TIP3 1788 -7.830 -3.793 22.798 1.00 0.00 WT2 ATOM 5123 OH2 TIP3 1790 -2.869 -6.568 20.602 1.00 0.00 WT2 ATOM 5124 H1 TIP3 1790 -2.855 -6.234 21.512 1.00 0.00 WT2 ATOM 5125 H2 TIP3 1790 -2.024 -7.085 20.375 1.00 0.00 WT2 ATOM 5126 OH2 TIP3 1810 7.224 1.079 19.076 1.00 0.00 WT2 ATOM 5127 H1 TIP3 1810 7.461 2.071 18.993 1.00 0.00 WT2 ATOM 5128 H2 TIP3 1810 6.317 1.088 18.593 1.00 0.00 WT2 ATOM 5129 OH2 TIP3 1811 -7.033 -13.618 22.704 1.00 0.00 WT2 ATOM 5130 H1 TIP3 1811 -6.274 -14.235 22.742 1.00 0.00 WT2 ATOM 5131 H2 TIP3 1811 -6.963 -13.544 21.724 1.00 0.00 WT2 ATOM 5132 OH2 TIP3 1814 1.965 5.177 34.496 1.00 0.00 WT2 ATOM 5133 H1 TIP3 1814 2.827 4.878 34.153 1.00 0.00 WT2 ATOM 5134 H2 TIP3 1814 1.348 4.444 34.231 1.00 0.00 WT2 ATOM 5135 OH2 TIP3 1816 -14.861 3.626 16.013 1.00 0.00 WT2 ATOM 5136 H1 TIP3 1816 -14.486 4.358 16.501 1.00 0.00 WT2 ATOM 5137 H2 TIP3 1816 -15.424 3.310 16.667 1.00 0.00 WT2 ATOM 5138 OH2 TIP3 1829 -9.798 3.706 14.014 1.00 0.00 WT2 ATOM 5139 H1 TIP3 1829 -9.896 3.914 13.014 1.00 0.00 WT2 ATOM 5140 H2 TIP3 1829 -9.606 2.742 14.027 1.00 0.00 WT2 ATOM 5141 OH2 TIP3 1830 -0.706 -15.143 23.683 1.00 0.00 WT2 ATOM 5142 H1 TIP3 1830 -1.464 -15.289 24.235 1.00 0.00 WT2 ATOM 5143 H2 TIP3 1830 -0.238 -14.588 24.310 1.00 0.00 WT2 ATOM 5144 OH2 TIP3 1832 -7.003 8.875 24.677 1.00 0.00 WT2 ATOM 5145 H1 TIP3 1832 -6.911 8.354 25.539 1.00 0.00 WT2 ATOM 5146 H2 TIP3 1832 -6.849 9.780 24.904 1.00 0.00 WT2 ATOM 5147 OH2 TIP3 1835 -10.656 -0.905 3.283 1.00 0.00 WT2 ATOM 5148 H1 TIP3 1835 -10.164 -1.710 3.372 1.00 0.00 WT2 ATOM 5149 H2 TIP3 1835 -10.854 -0.791 4.285 1.00 0.00 WT2 ATOM 5150 OH2 TIP3 1837 -9.783 -11.430 15.280 1.00 0.00 WT2 ATOM 5151 H1 TIP3 1837 -9.422 -12.374 15.321 1.00 0.00 WT2 ATOM 5152 H2 TIP3 1837 -10.179 -11.245 14.414 1.00 0.00 WT2 ATOM 5153 OH2 TIP3 1838 3.618 -8.147 28.396 1.00 0.00 WT2 ATOM 5154 H1 TIP3 1838 4.561 -7.938 28.298 1.00 0.00 WT2 ATOM 5155 H2 TIP3 1838 3.574 -9.004 28.936 1.00 0.00 WT2 ATOM 5156 OH2 TIP3 1847 -8.650 5.197 6.668 1.00 0.00 WT2 ATOM 5157 H1 TIP3 1847 -8.889 4.267 6.960 1.00 0.00 WT2 ATOM 5158 H2 TIP3 1847 -9.266 5.767 7.226 1.00 0.00 WT2 ATOM 5159 OH2 TIP3 1850 -5.818 -8.230 12.235 1.00 0.00 WT2 ATOM 5160 H1 TIP3 1850 -5.728 -8.971 11.618 1.00 0.00 WT2 ATOM 5161 H2 TIP3 1850 -4.893 -8.276 12.636 1.00 0.00 WT2 ATOM 5162 OH2 TIP3 1852 -1.416 -13.211 27.748 1.00 0.00 WT2 ATOM 5163 H1 TIP3 1852 -0.758 -12.999 28.422 1.00 0.00 WT2 ATOM 5164 H2 TIP3 1852 -1.709 -12.314 27.479 1.00 0.00 WT2 ATOM 5165 OH2 TIP3 1854 2.366 -12.833 20.514 1.00 0.00 WT2 ATOM 5166 H1 TIP3 1854 1.521 -12.872 21.076 1.00 0.00 WT2 ATOM 5167 H2 TIP3 1854 2.178 -12.404 19.649 1.00 0.00 WT2 ATOM 5168 OH2 TIP3 1856 -7.503 -12.846 7.680 1.00 0.00 WT2 ATOM 5169 H1 TIP3 1856 -8.300 -12.351 7.469 1.00 0.00 WT2 ATOM 5170 H2 TIP3 1856 -6.999 -12.825 6.829 1.00 0.00 WT2 ATOM 5171 OH2 TIP3 1861 -5.310 -0.912 31.376 1.00 0.00 WT2 ATOM 5172 H1 TIP3 1861 -4.514 -1.453 31.568 1.00 0.00 WT2 ATOM 5173 H2 TIP3 1861 -5.804 -1.594 30.876 1.00 0.00 WT2 ATOM 5174 OH2 TIP3 1870 16.193 10.524 18.607 1.00 0.00 WT2 ATOM 5175 H1 TIP3 1870 16.947 11.103 18.687 1.00 0.00 WT2 ATOM 5176 H2 TIP3 1870 15.728 10.691 19.438 1.00 0.00 WT2 ATOM 5177 OH2 TIP3 1872 16.463 6.612 24.237 1.00 0.00 WT2 ATOM 5178 H1 TIP3 1872 16.911 6.456 25.087 1.00 0.00 WT2 ATOM 5179 H2 TIP3 1872 15.557 6.696 24.598 1.00 0.00 WT2 ATOM 5180 OH2 TIP3 1873 4.731 -13.474 22.154 1.00 0.00 WT2 ATOM 5181 H1 TIP3 1873 4.010 -13.304 21.487 1.00 0.00 WT2 ATOM 5182 H2 TIP3 1873 4.256 -13.084 22.952 1.00 0.00 WT2 ATOM 5183 OH2 TIP3 1874 -6.487 10.042 20.065 1.00 0.00 WT2 ATOM 5184 H1 TIP3 1874 -7.274 10.619 19.998 1.00 0.00 WT2 ATOM 5185 H2 TIP3 1874 -6.795 9.245 20.588 1.00 0.00 WT2 ATOM 5186 OH2 TIP3 1875 1.434 2.957 15.445 1.00 0.00 WT2 ATOM 5187 H1 TIP3 1875 1.569 3.430 16.333 1.00 0.00 WT2 ATOM 5188 H2 TIP3 1875 0.861 3.604 15.014 1.00 0.00 WT2 ATOM 5189 OH2 TIP3 1877 4.170 -4.041 32.072 1.00 0.00 WT2 ATOM 5190 H1 TIP3 1877 3.906 -3.692 32.926 1.00 0.00 WT2 ATOM 5191 H2 TIP3 1877 5.041 -4.341 32.328 1.00 0.00 WT2 ATOM 5192 OH2 TIP3 1891 -9.122 5.322 23.580 1.00 0.00 WT2 ATOM 5193 H1 TIP3 1891 -9.604 5.112 24.415 1.00 0.00 WT2 ATOM 5194 H2 TIP3 1891 -8.285 5.206 24.048 1.00 0.00 WT2 ATOM 5195 OH2 TIP3 1894 -7.997 2.056 19.995 1.00 0.00 WT2 ATOM 5196 H1 TIP3 1894 -7.784 1.103 19.779 1.00 0.00 WT2 ATOM 5197 H2 TIP3 1894 -8.251 2.396 19.124 1.00 0.00 WT2 ATOM 5198 OH2 TIP3 1895 1.476 -4.957 31.767 1.00 0.00 WT2 ATOM 5199 H1 TIP3 1895 2.351 -4.615 31.516 1.00 0.00 WT2 ATOM 5200 H2 TIP3 1895 1.353 -4.580 32.648 1.00 0.00 WT2 ATOM 5201 OH2 TIP3 1900 -9.751 3.624 11.357 1.00 0.00 WT2 ATOM 5202 H1 TIP3 1900 -9.360 3.341 10.470 1.00 0.00 WT2 ATOM 5203 H2 TIP3 1900 -10.622 3.977 11.056 1.00 0.00 WT2 ATOM 5204 OH2 TIP3 1911 -12.598 -0.043 13.570 1.00 0.00 WT2 ATOM 5205 H1 TIP3 1911 -13.266 0.409 14.164 1.00 0.00 WT2 ATOM 5206 H2 TIP3 1911 -13.007 -0.888 13.621 1.00 0.00 WT2 ATOM 5207 OH2 TIP3 1912 -5.511 10.526 11.238 1.00 0.00 WT2 ATOM 5208 H1 TIP3 1912 -5.542 10.998 12.111 1.00 0.00 WT2 ATOM 5209 H2 TIP3 1912 -4.599 10.725 11.025 1.00 0.00 WT2 ATOM 5210 OH2 TIP3 1913 7.092 12.014 20.313 1.00 0.00 WT2 ATOM 5211 H1 TIP3 1913 7.596 11.203 20.411 1.00 0.00 WT2 ATOM 5212 H2 TIP3 1913 6.241 11.679 19.990 1.00 0.00 WT2 ATOM 5213 OH2 TIP3 1914 -7.100 4.635 20.322 1.00 0.00 WT2 ATOM 5214 H1 TIP3 1914 -7.273 3.662 20.098 1.00 0.00 WT2 ATOM 5215 H2 TIP3 1914 -6.460 4.610 20.988 1.00 0.00 WT2 ATOM 5216 OH2 TIP3 1915 -10.153 6.646 17.347 1.00 0.00 WT2 ATOM 5217 H1 TIP3 1915 -9.403 6.000 17.334 1.00 0.00 WT2 ATOM 5218 H2 TIP3 1915 -10.841 6.055 17.083 1.00 0.00 WT2 ATOM 5219 OH2 TIP3 1919 -11.342 4.361 16.322 1.00 0.00 WT2 ATOM 5220 H1 TIP3 1919 -11.205 3.415 16.627 1.00 0.00 WT2 ATOM 5221 H2 TIP3 1919 -11.020 4.362 15.436 1.00 0.00 WT2 ATOM 5222 OH2 TIP3 1934 -6.607 -7.549 23.671 1.00 0.00 WT2 ATOM 5223 H1 TIP3 1934 -6.262 -7.463 22.724 1.00 0.00 WT2 ATOM 5224 H2 TIP3 1934 -6.175 -6.802 24.104 1.00 0.00 WT2 ATOM 5225 OH2 TIP3 1937 -6.628 -2.393 14.277 1.00 0.00 WT2 ATOM 5226 H1 TIP3 1937 -7.113 -2.010 15.054 1.00 0.00 WT2 ATOM 5227 H2 TIP3 1937 -6.289 -1.483 13.984 1.00 0.00 WT2 ATOM 5228 OH2 TIP3 1950 15.151 5.045 16.681 1.00 0.00 WT2 ATOM 5229 H1 TIP3 1950 15.932 4.945 16.134 1.00 0.00 WT2 ATOM 5230 H2 TIP3 1950 15.166 5.978 16.895 1.00 0.00 WT2 ATOM 5231 OH2 TIP3 1953 -1.299 14.176 13.528 1.00 0.00 WT2 ATOM 5232 H1 TIP3 1953 -2.192 13.844 13.716 1.00 0.00 WT2 ATOM 5233 H2 TIP3 1953 -1.344 15.051 13.998 1.00 0.00 WT2 ATOM 5234 OH2 TIP3 1954 -10.990 9.899 8.515 1.00 0.00 WT2 ATOM 5235 H1 TIP3 1954 -11.814 9.399 8.602 1.00 0.00 WT2 ATOM 5236 H2 TIP3 1954 -10.958 10.500 9.301 1.00 0.00 WT2 ATOM 5237 OH2 TIP3 1976 5.113 6.905 0.607 1.00 0.00 WT2 ATOM 5238 H1 TIP3 1976 4.615 6.935 1.447 1.00 0.00 WT2 ATOM 5239 H2 TIP3 1976 4.387 7.165 0.024 1.00 0.00 WT2 ATOM 5240 OH2 TIP3 1979 11.427 3.873 27.076 1.00 0.00 WT2 ATOM 5241 H1 TIP3 1979 11.637 2.928 26.953 1.00 0.00 WT2 ATOM 5242 H2 TIP3 1979 11.092 3.723 28.011 1.00 0.00 WT2 ATOM 5243 OH2 TIP3 1987 -5.956 1.434 29.846 1.00 0.00 WT2 ATOM 5244 H1 TIP3 1987 -5.894 0.576 30.305 1.00 0.00 WT2 ATOM 5245 H2 TIP3 1987 -5.152 1.394 29.281 1.00 0.00 WT2 ATOM 5246 OH2 TIP3 2002 -8.135 2.312 16.275 1.00 0.00 WT2 ATOM 5247 H1 TIP3 2002 -7.585 1.576 16.727 1.00 0.00 WT2 ATOM 5248 H2 TIP3 2002 -8.323 1.990 15.403 1.00 0.00 WT2 ATOM 5249 OH2 TIP3 2014 -4.985 11.272 4.937 1.00 0.00 WT2 ATOM 5250 H1 TIP3 2014 -4.036 11.328 5.082 1.00 0.00 WT2 ATOM 5251 H2 TIP3 2014 -5.407 11.366 5.854 1.00 0.00 WT2 ATOM 5252 OH2 TIP3 2021 -3.398 3.351 31.214 1.00 0.00 WT2 ATOM 5253 H1 TIP3 2021 -2.926 3.854 31.878 1.00 0.00 WT2 ATOM 5254 H2 TIP3 2021 -3.858 2.743 31.781 1.00 0.00 WT2 ATOM 5255 OH2 TIP3 2042 2.706 9.612 20.943 1.00 0.00 WT2 ATOM 5256 H1 TIP3 2042 2.909 10.469 21.459 1.00 0.00 WT2 ATOM 5257 H2 TIP3 2042 2.459 9.035 21.651 1.00 0.00 WT2 ATOM 5258 OH2 TIP3 2061 -4.554 8.782 33.706 1.00 0.00 WT2 ATOM 5259 H1 TIP3 2061 -4.042 8.289 34.335 1.00 0.00 WT2 ATOM 5260 H2 TIP3 2061 -4.307 9.725 34.030 1.00 0.00 WT2 ATOM 5261 OH2 TIP3 2079 -0.014 12.714 11.137 1.00 0.00 WT2 ATOM 5262 H1 TIP3 2079 -0.321 13.464 11.755 1.00 0.00 WT2 ATOM 5263 H2 TIP3 2079 0.663 12.299 11.758 1.00 0.00 WT2 ATOM 5264 OH2 TIP3 2082 -5.194 11.080 25.004 1.00 0.00 WT2 ATOM 5265 H1 TIP3 2082 -4.439 11.667 25.259 1.00 0.00 WT2 ATOM 5266 H2 TIP3 2082 -5.335 10.720 25.843 1.00 0.00 WT2 ATOM 5267 OH2 TIP3 2105 8.155 7.164 10.852 1.00 0.00 WT2 ATOM 5268 H1 TIP3 2105 9.054 7.252 11.217 1.00 0.00 WT2 ATOM 5269 H2 TIP3 2105 7.575 7.349 11.542 1.00 0.00 WT2 ATOM 5270 OH2 TIP3 2208 7.043 -10.629 21.169 1.00 0.00 WT2 ATOM 5271 H1 TIP3 2208 7.257 -10.074 20.428 1.00 0.00 WT2 ATOM 5272 H2 TIP3 2208 6.819 -9.895 21.787 1.00 0.00 WT2 ATOM 5273 OH2 TIP3 2232 -8.207 7.651 22.466 1.00 0.00 WT2 ATOM 5274 H1 TIP3 2232 -7.850 8.221 23.143 1.00 0.00 WT2 ATOM 5275 H2 TIP3 2232 -8.551 6.889 22.944 1.00 0.00 WT2 ATOM 5276 OH2 TIP3 2254 -3.527 2.092 25.726 1.00 0.00 WT2 ATOM 5277 H1 TIP3 2254 -2.686 1.618 25.784 1.00 0.00 WT2 ATOM 5278 H2 TIP3 2254 -3.824 2.135 26.650 1.00 0.00 WT2 ATOM 5279 OH2 TIP3 2274 -11.284 -0.912 23.193 1.00 0.00 WT2 ATOM 5280 H1 TIP3 2274 -10.846 -1.552 23.813 1.00 0.00 WT2 ATOM 5281 H2 TIP3 2274 -11.400 -1.416 22.383 1.00 0.00 WT2 ATOM 5282 OH2 TIP3 2276 -5.279 7.423 21.785 1.00 0.00 WT2 ATOM 5283 H1 TIP3 2276 -6.083 7.766 22.176 1.00 0.00 WT2 ATOM 5284 H2 TIP3 2276 -4.678 8.080 22.147 1.00 0.00 WT2 ATOM 5285 OH2 TIP3 2296 15.055 -6.891 21.183 1.00 0.00 WT2 ATOM 5286 H1 TIP3 2296 14.953 -7.652 20.653 1.00 0.00 WT2 ATOM 5287 H2 TIP3 2296 14.164 -6.741 21.488 1.00 0.00 WT2 ATOM 5288 OH2 TIP3 2300 -8.911 11.647 20.544 1.00 0.00 WT2 ATOM 5289 H1 TIP3 2300 -9.249 10.772 20.792 1.00 0.00 WT2 ATOM 5290 H2 TIP3 2300 -9.719 12.031 20.144 1.00 0.00 WT2 ATOM 5291 OH2 TIP3 2302 -16.386 0.833 17.392 1.00 0.00 WT2 ATOM 5292 H1 TIP3 2302 -17.234 1.229 17.580 1.00 0.00 WT2 ATOM 5293 H2 TIP3 2302 -15.811 1.324 17.987 1.00 0.00 WT2 ATOM 5294 OH2 TIP3 2309 -13.557 -10.169 14.979 1.00 0.00 WT2 ATOM 5295 H1 TIP3 2309 -13.622 -9.902 15.869 1.00 0.00 WT2 ATOM 5296 H2 TIP3 2309 -14.033 -9.404 14.618 1.00 0.00 WT2 ATOM 5297 OH2 TIP3 2311 -1.615 -6.472 24.394 1.00 0.00 WT2 ATOM 5298 H1 TIP3 2311 -1.705 -6.026 25.235 1.00 0.00 WT2 ATOM 5299 H2 TIP3 2311 -2.307 -6.060 23.868 1.00 0.00 WT2 ATOM 5300 OH2 TIP3 2313 5.716 -17.695 25.041 1.00 0.00 WT2 ATOM 5301 H1 TIP3 2313 5.175 -17.756 24.209 1.00 0.00 WT2 ATOM 5302 H2 TIP3 2313 6.654 -17.563 24.674 1.00 0.00 WT2 ATOM 5303 OH2 TIP3 2318 -14.537 -7.746 20.097 1.00 0.00 WT2 ATOM 5304 H1 TIP3 2318 -14.431 -7.185 19.268 1.00 0.00 WT2 ATOM 5305 H2 TIP3 2318 -13.750 -8.333 20.018 1.00 0.00 WT2 ATOM 5306 OH2 TIP3 2320 -7.040 5.412 25.354 1.00 0.00 WT2 ATOM 5307 H1 TIP3 2320 -7.010 5.027 26.250 1.00 0.00 WT2 ATOM 5308 H2 TIP3 2320 -6.113 5.563 25.119 1.00 0.00 WT2 ATOM 5309 OH2 TIP3 2333 -8.300 4.943 16.603 1.00 0.00 WT2 ATOM 5310 H1 TIP3 2333 -8.250 4.015 16.426 1.00 0.00 WT2 ATOM 5311 H2 TIP3 2333 -8.610 5.217 15.680 1.00 0.00 WT2 ATOM 5312 OH2 TIP3 2336 15.266 3.888 13.075 1.00 0.00 WT2 ATOM 5313 H1 TIP3 2336 15.612 3.075 12.647 1.00 0.00 WT2 ATOM 5314 H2 TIP3 2336 15.954 4.218 13.612 1.00 0.00 WT2 ATOM 5315 OH2 TIP3 2337 4.711 -0.131 38.761 1.00 0.00 WT2 ATOM 5316 H1 TIP3 2337 5.020 0.803 38.761 1.00 0.00 WT2 ATOM 5317 H2 TIP3 2337 5.478 -0.544 39.131 1.00 0.00 WT2 ATOM 5318 OH2 TIP3 2375 8.222 3.421 39.506 1.00 0.00 WT2 ATOM 5319 H1 TIP3 2375 8.131 4.413 39.597 1.00 0.00 WT2 ATOM 5320 H2 TIP3 2375 9.092 3.221 39.180 1.00 0.00 WT2 ATOM 5321 OH2 TIP3 2376 4.981 2.757 20.572 1.00 0.00 WT2 ATOM 5322 H1 TIP3 2376 4.590 2.260 19.752 1.00 0.00 WT2 ATOM 5323 H2 TIP3 2376 4.275 2.684 21.182 1.00 0.00 WT2 ATOM 5324 OH2 TIP3 2377 13.302 -10.506 21.827 1.00 0.00 WT2 ATOM 5325 H1 TIP3 2377 12.643 -10.552 22.537 1.00 0.00 WT2 ATOM 5326 H2 TIP3 2377 13.055 -11.238 21.196 1.00 0.00 WT2 ATOM 5327 OH2 TIP3 2378 -10.026 10.773 13.156 1.00 0.00 WT2 ATOM 5328 H1 TIP3 2378 -9.733 11.119 14.041 1.00 0.00 WT2 ATOM 5329 H2 TIP3 2378 -9.222 10.369 12.857 1.00 0.00 WT2 ATOM 5330 OH2 TIP3 2380 1.774 -18.150 21.524 1.00 0.00 WT2 ATOM 5331 H1 TIP3 2380 0.985 -18.186 22.117 1.00 0.00 WT2 ATOM 5332 H2 TIP3 2380 1.641 -17.344 20.972 1.00 0.00 WT2 ATOM 5333 OH2 TIP3 2398 -1.896 0.100 28.880 1.00 0.00 WT2 ATOM 5334 H1 TIP3 2398 -1.962 -0.410 28.020 1.00 0.00 WT2 ATOM 5335 H2 TIP3 2398 -1.729 -0.611 29.537 1.00 0.00 WT2 ATOM 5336 OH2 TIP3 2400 1.198 1.144 12.648 1.00 0.00 WT2 ATOM 5337 H1 TIP3 2400 2.089 0.701 12.751 1.00 0.00 WT2 ATOM 5338 H2 TIP3 2400 1.337 1.845 11.979 1.00 0.00 WT2 ATOM 5339 OH2 TIP3 2416 6.025 10.879 28.991 1.00 0.00 WT2 ATOM 5340 H1 TIP3 2416 6.434 10.333 28.271 1.00 0.00 WT2 ATOM 5341 H2 TIP3 2416 5.106 10.624 28.939 1.00 0.00 WT2 ATOM 5342 OH2 TIP3 2418 7.486 -1.791 37.923 1.00 0.00 WT2 ATOM 5343 H1 TIP3 2418 7.616 -2.040 38.860 1.00 0.00 WT2 ATOM 5344 H2 TIP3 2418 8.301 -1.266 37.843 1.00 0.00 WT2 ATOM 5345 OH2 TIP3 2419 -6.463 7.166 32.723 1.00 0.00 WT2 ATOM 5346 H1 TIP3 2419 -7.005 6.940 33.530 1.00 0.00 WT2 ATOM 5347 H2 TIP3 2419 -5.964 7.965 33.040 1.00 0.00 WT2 ATOM 5348 OH2 TIP3 2421 -16.474 -4.333 19.635 1.00 0.00 WT2 ATOM 5349 H1 TIP3 2421 -16.309 -5.232 19.364 1.00 0.00 WT2 ATOM 5350 H2 TIP3 2421 -17.314 -4.497 20.098 1.00 0.00 WT2 ATOM 5351 OH2 TIP3 2436 5.548 4.921 23.723 1.00 0.00 WT2 ATOM 5352 H1 TIP3 2436 4.937 4.628 23.067 1.00 0.00 WT2 ATOM 5353 H2 TIP3 2436 4.901 5.188 24.427 1.00 0.00 WT2 ATOM 5354 OH2 TIP3 2439 -7.320 4.999 28.112 1.00 0.00 WT2 ATOM 5355 H1 TIP3 2439 -7.828 5.257 28.900 1.00 0.00 WT2 ATOM 5356 H2 TIP3 2439 -6.375 5.199 28.349 1.00 0.00 WT2 ATOM 5357 OH2 TIP3 2442 2.623 13.172 28.809 1.00 0.00 WT2 ATOM 5358 H1 TIP3 2442 2.711 13.483 29.721 1.00 0.00 WT2 ATOM 5359 H2 TIP3 2442 3.332 13.675 28.452 1.00 0.00 WT2 ATOM 5360 OH2 TIP3 2444 -3.635 2.174 28.394 1.00 0.00 WT2 ATOM 5361 H1 TIP3 2444 -3.561 2.725 29.222 1.00 0.00 WT2 ATOM 5362 H2 TIP3 2444 -3.060 1.439 28.672 1.00 0.00 WT2 ATOM 5363 OH2 TIP3 2458 -0.322 7.278 23.306 1.00 0.00 WT2 ATOM 5364 H1 TIP3 2458 -0.267 8.171 22.877 1.00 0.00 WT2 ATOM 5365 H2 TIP3 2458 0.440 6.759 22.900 1.00 0.00 WT2 ATOM 5366 OH2 TIP3 2460 8.244 10.364 30.331 1.00 0.00 WT2 ATOM 5367 H1 TIP3 2460 8.559 9.727 29.566 1.00 0.00 WT2 ATOM 5368 H2 TIP3 2460 7.418 10.747 29.861 1.00 0.00 WT2 ATOM 5369 OH2 TIP3 2477 -9.801 9.258 19.366 1.00 0.00 WT2 ATOM 5370 H1 TIP3 2477 -10.496 9.282 20.051 1.00 0.00 WT2 ATOM 5371 H2 TIP3 2477 -9.337 8.449 19.490 1.00 0.00 WT2 ATOM 5372 OH2 TIP3 2508 -1.994 4.691 33.294 1.00 0.00 WT2 ATOM 5373 H1 TIP3 2508 -1.866 5.614 33.242 1.00 0.00 WT2 ATOM 5374 H2 TIP3 2508 -2.266 4.599 34.258 1.00 0.00 WT2 ATOM 5375 OH2 TIP3 2610 -12.734 -5.867 24.677 1.00 0.00 WT2 ATOM 5376 H1 TIP3 2610 -12.867 -4.974 24.905 1.00 0.00 WT2 ATOM 5377 H2 TIP3 2610 -13.107 -5.791 23.823 1.00 0.00 WT2 ATOM 5378 OH2 TIP3 2628 14.073 -7.611 25.723 1.00 0.00 WT2 ATOM 5379 H1 TIP3 2628 14.340 -8.182 24.988 1.00 0.00 WT2 ATOM 5380 H2 TIP3 2628 14.815 -7.664 26.271 1.00 0.00 WT2 ATOM 5381 OH2 TIP3 2649 -10.076 1.229 24.586 1.00 0.00 WT2 ATOM 5382 H1 TIP3 2649 -10.722 0.811 24.074 1.00 0.00 WT2 ATOM 5383 H2 TIP3 2649 -9.533 1.780 24.009 1.00 0.00 WT2 ATOM 5384 OH2 TIP3 2650 7.561 -12.448 6.678 1.00 0.00 WT2 ATOM 5385 H1 TIP3 2650 7.660 -12.830 5.810 1.00 0.00 WT2 ATOM 5386 H2 TIP3 2650 8.458 -12.417 7.077 1.00 0.00 WT2 ATOM 5387 OH2 TIP3 2654 10.482 -14.791 17.780 1.00 0.00 WT2 ATOM 5388 H1 TIP3 2654 9.606 -14.355 18.066 1.00 0.00 WT2 ATOM 5389 H2 TIP3 2654 11.067 -14.437 18.456 1.00 0.00 WT2 ATOM 5390 OH2 TIP3 2669 -0.642 -8.792 23.514 1.00 0.00 WT2 ATOM 5391 H1 TIP3 2669 -0.662 -9.156 24.403 1.00 0.00 WT2 ATOM 5392 H2 TIP3 2669 -0.880 -7.856 23.635 1.00 0.00 WT2 ATOM 5393 OH2 TIP3 2670 9.692 -14.298 24.545 1.00 0.00 WT2 ATOM 5394 H1 TIP3 2670 9.541 -15.167 24.186 1.00 0.00 WT2 ATOM 5395 H2 TIP3 2670 9.309 -13.711 23.907 1.00 0.00 WT2 ATOM 5396 OH2 TIP3 2672 11.932 -0.720 35.325 1.00 0.00 WT2 ATOM 5397 H1 TIP3 2672 11.330 0.067 35.203 1.00 0.00 WT2 ATOM 5398 H2 TIP3 2672 12.451 -0.703 34.519 1.00 0.00 WT2 ATOM 5399 OH2 TIP3 2689 8.571 -16.915 23.179 1.00 0.00 WT2 ATOM 5400 H1 TIP3 2689 8.453 -17.678 22.580 1.00 0.00 WT2 ATOM 5401 H2 TIP3 2689 8.129 -16.228 22.580 1.00 0.00 WT2 ATOM 5402 OH2 TIP3 2690 -1.524 -9.001 30.328 1.00 0.00 WT2 ATOM 5403 H1 TIP3 2690 -1.497 -8.206 29.789 1.00 0.00 WT2 ATOM 5404 H2 TIP3 2690 -1.226 -9.702 29.829 1.00 0.00 WT2 ATOM 5405 OH2 TIP3 2692 -4.388 -14.367 22.602 1.00 0.00 WT2 ATOM 5406 H1 TIP3 2692 -4.003 -13.562 23.080 1.00 0.00 WT2 ATOM 5407 H2 TIP3 2692 -4.480 -15.002 23.341 1.00 0.00 WT2 ATOM 5408 OH2 TIP3 2695 10.498 -10.539 20.147 1.00 0.00 WT2 ATOM 5409 H1 TIP3 2695 10.042 -9.661 19.921 1.00 0.00 WT2 ATOM 5410 H2 TIP3 2695 10.431 -10.551 21.109 1.00 0.00 WT2 ATOM 5411 OH2 TIP3 2697 6.650 -9.055 18.857 1.00 0.00 WT2 ATOM 5412 H1 TIP3 2697 5.918 -8.511 19.013 1.00 0.00 WT2 ATOM 5413 H2 TIP3 2697 6.279 -9.539 18.081 1.00 0.00 WT2 ATOM 5414 OH2 TIP3 2701 -14.904 1.413 19.630 1.00 0.00 WT2 ATOM 5415 H1 TIP3 2701 -15.401 0.621 20.058 1.00 0.00 WT2 ATOM 5416 H2 TIP3 2701 -13.894 1.152 19.692 1.00 0.00 WT2 ATOM 5417 OH2 TIP3 2710 2.050 -9.093 3.265 1.00 0.00 WT2 ATOM 5418 H1 TIP3 2710 2.149 -8.909 4.228 1.00 0.00 WT2 ATOM 5419 H2 TIP3 2710 1.709 -10.021 3.293 1.00 0.00 WT2 ATOM 5420 OH2 TIP3 2713 5.749 -15.810 17.489 1.00 0.00 WT2 ATOM 5421 H1 TIP3 2713 4.982 -16.252 17.089 1.00 0.00 WT2 ATOM 5422 H2 TIP3 2713 5.950 -16.350 18.261 1.00 0.00 WT2 ATOM 5423 OH2 TIP3 2715 5.330 -10.828 27.889 1.00 0.00 WT2 ATOM 5424 H1 TIP3 2715 6.238 -11.215 27.935 1.00 0.00 WT2 ATOM 5425 H2 TIP3 2715 5.427 -10.338 27.009 1.00 0.00 WT2 ATOM 5426 OH2 TIP3 2717 16.041 -0.256 25.798 1.00 0.00 WT2 ATOM 5427 H1 TIP3 2717 15.125 -0.002 25.581 1.00 0.00 WT2 ATOM 5428 H2 TIP3 2717 15.822 -0.662 26.677 1.00 0.00 WT2 ATOM 5429 OH2 TIP3 2735 -8.947 0.666 14.076 1.00 0.00 WT2 ATOM 5430 H1 TIP3 2735 -8.850 -0.148 14.543 1.00 0.00 WT2 ATOM 5431 H2 TIP3 2735 -9.160 0.265 13.220 1.00 0.00 WT2 ATOM 5432 OH2 TIP3 2736 12.165 -5.388 15.936 1.00 0.00 WT2 ATOM 5433 H1 TIP3 2736 12.639 -5.930 16.603 1.00 0.00 WT2 ATOM 5434 H2 TIP3 2736 11.959 -4.620 16.432 1.00 0.00 WT2 ATOM 5435 OH2 TIP3 2737 -6.183 -9.233 28.434 1.00 0.00 WT2 ATOM 5436 H1 TIP3 2737 -6.600 -8.371 28.655 1.00 0.00 WT2 ATOM 5437 H2 TIP3 2737 -5.966 -9.655 29.256 1.00 0.00 WT2 ATOM 5438 OH2 TIP3 2739 7.873 -11.817 28.643 1.00 0.00 WT2 ATOM 5439 H1 TIP3 2739 8.173 -12.665 28.247 1.00 0.00 WT2 ATOM 5440 H2 TIP3 2739 8.707 -11.271 28.557 1.00 0.00 WT2 ATOM 5441 OH2 TIP3 2740 12.986 -3.120 35.585 1.00 0.00 WT2 ATOM 5442 H1 TIP3 2740 13.684 -2.646 36.044 1.00 0.00 WT2 ATOM 5443 H2 TIP3 2740 12.248 -2.523 35.538 1.00 0.00 WT2 ATOM 5444 OH2 TIP3 2754 -0.306 -13.684 19.160 1.00 0.00 WT2 ATOM 5445 H1 TIP3 2754 -0.134 -12.768 18.990 1.00 0.00 WT2 ATOM 5446 H2 TIP3 2754 -1.247 -13.726 19.096 1.00 0.00 WT2 ATOM 5447 OH2 TIP3 2758 -1.131 -3.920 34.498 1.00 0.00 WT2 ATOM 5448 H1 TIP3 2758 -1.173 -4.901 34.646 1.00 0.00 WT2 ATOM 5449 H2 TIP3 2758 -0.159 -3.736 34.449 1.00 0.00 WT2 ATOM 5450 OH2 TIP3 2774 -5.210 6.209 14.620 1.00 0.00 WT2 ATOM 5451 H1 TIP3 2774 -5.895 5.479 14.387 1.00 0.00 WT2 ATOM 5452 H2 TIP3 2774 -4.384 5.728 14.760 1.00 0.00 WT2 ATOM 5453 OH2 TIP3 2775 14.693 -10.366 29.296 1.00 0.00 WT2 ATOM 5454 H1 TIP3 2775 14.836 -10.790 28.493 1.00 0.00 WT2 ATOM 5455 H2 TIP3 2775 15.319 -9.627 29.308 1.00 0.00 WT2 ATOM 5456 OH2 TIP3 2776 -4.856 1.547 32.848 1.00 0.00 WT2 ATOM 5457 H1 TIP3 2776 -4.516 1.353 33.684 1.00 0.00 WT2 ATOM 5458 H2 TIP3 2776 -5.200 0.645 32.615 1.00 0.00 WT2 ATOM 5459 OH2 TIP3 2795 7.031 10.732 17.525 1.00 0.00 WT2 ATOM 5460 H1 TIP3 2795 6.506 10.915 16.661 1.00 0.00 WT2 ATOM 5461 H2 TIP3 2795 6.333 10.542 18.102 1.00 0.00 WT2 ATOM 5462 OH2 TIP3 2796 -3.096 9.546 27.275 1.00 0.00 WT2 ATOM 5463 H1 TIP3 2796 -2.272 9.042 27.526 1.00 0.00 WT2 ATOM 5464 H2 TIP3 2796 -3.037 9.474 26.295 1.00 0.00 WT2 ATOM 5465 OH2 TIP3 2815 7.278 -14.497 31.390 1.00 0.00 WT2 ATOM 5466 H1 TIP3 2815 6.835 -15.267 31.043 1.00 0.00 WT2 ATOM 5467 H2 TIP3 2815 8.199 -14.572 30.964 1.00 0.00 WT2 ATOM 5468 OH2 TIP3 2819 -0.880 9.697 22.134 1.00 0.00 WT2 ATOM 5469 H1 TIP3 2819 -1.213 10.099 21.294 1.00 0.00 WT2 ATOM 5470 H2 TIP3 2819 -1.364 10.361 22.746 1.00 0.00 WT2 ATOM 5471 OH2 TIP3 2821 17.252 6.632 29.271 1.00 0.00 WT2 ATOM 5472 H1 TIP3 2821 16.340 7.062 29.176 1.00 0.00 WT2 ATOM 5473 H2 TIP3 2821 17.322 6.286 30.177 1.00 0.00 WT2 ATOM 5474 OH2 TIP3 2839 4.256 8.647 14.726 1.00 0.00 WT2 ATOM 5475 H1 TIP3 2839 3.297 8.588 14.466 1.00 0.00 WT2 ATOM 5476 H2 TIP3 2839 4.409 7.873 15.268 1.00 0.00 WT2 ATOM 5477 OH2 TIP3 2840 2.425 11.326 23.897 1.00 0.00 WT2 ATOM 5478 H1 TIP3 2840 1.942 11.639 24.631 1.00 0.00 WT2 ATOM 5479 H2 TIP3 2840 2.336 12.003 23.236 1.00 0.00 WT2 ATOM 5480 OH2 TIP3 2841 -4.206 7.540 19.283 1.00 0.00 WT2 ATOM 5481 H1 TIP3 2841 -4.655 7.371 20.145 1.00 0.00 WT2 ATOM 5482 H2 TIP3 2841 -4.664 6.923 18.705 1.00 0.00 WT2 ATOM 5483 OH2 TIP3 2843 9.976 7.636 18.983 1.00 0.00 WT2 ATOM 5484 H1 TIP3 2843 10.894 7.652 18.927 1.00 0.00 WT2 ATOM 5485 H2 TIP3 2843 9.783 8.169 18.250 1.00 0.00 WT2 ATOM 5486 OH2 TIP3 2859 0.572 6.537 20.063 1.00 0.00 WT2 ATOM 5487 H1 TIP3 2859 1.231 6.643 20.805 1.00 0.00 WT2 ATOM 5488 H2 TIP3 2859 0.673 5.597 19.942 1.00 0.00 WT2 ATOM 5489 OH2 TIP3 2862 -16.988 -0.462 13.413 1.00 0.00 WT2 ATOM 5490 H1 TIP3 2862 -16.991 -0.871 14.298 1.00 0.00 WT2 ATOM 5491 H2 TIP3 2862 -16.358 0.202 13.388 1.00 0.00 WT2 ATOM 5492 OH2 TIP3 2863 -2.914 4.578 17.183 1.00 0.00 WT2 ATOM 5493 H1 TIP3 2863 -3.775 4.222 17.414 1.00 0.00 WT2 ATOM 5494 H2 TIP3 2863 -2.446 4.543 18.007 1.00 0.00 WT2 ATOM 5495 OH2 TIP3 2866 9.212 -5.521 35.779 1.00 0.00 WT2 ATOM 5496 H1 TIP3 2866 9.102 -5.794 34.865 1.00 0.00 WT2 ATOM 5497 H2 TIP3 2866 9.952 -6.030 36.135 1.00 0.00 WT2 ATOM 5498 OH2 TIP3 2877 -1.634 4.855 19.745 1.00 0.00 WT2 ATOM 5499 H1 TIP3 2877 -2.130 5.078 20.527 1.00 0.00 WT2 ATOM 5500 H2 TIP3 2877 -1.210 5.735 19.677 1.00 0.00 WT2 ATOM 5501 OH2 TIP3 2878 1.624 11.588 13.136 1.00 0.00 WT2 ATOM 5502 H1 TIP3 2878 1.487 11.349 14.095 1.00 0.00 WT2 ATOM 5503 H2 TIP3 2878 2.047 10.806 12.815 1.00 0.00 WT2 ATOM 5504 OH2 TIP3 2882 11.806 8.347 23.393 1.00 0.00 WT2 ATOM 5505 H1 TIP3 2882 11.937 8.722 24.250 1.00 0.00 WT2 ATOM 5506 H2 TIP3 2882 10.948 7.908 23.626 1.00 0.00 WT2 ATOM 5507 OH2 TIP3 2884 -7.912 5.469 30.902 1.00 0.00 WT2 ATOM 5508 H1 TIP3 2884 -7.447 5.899 31.618 1.00 0.00 WT2 ATOM 5509 H2 TIP3 2884 -7.566 4.561 30.970 1.00 0.00 WT2 ATOM 5510 OH2 TIP3 2904 -1.466 14.139 21.403 1.00 0.00 WT2 ATOM 5511 H1 TIP3 2904 -0.577 14.210 21.892 1.00 0.00 WT2 ATOM 5512 H2 TIP3 2904 -1.322 14.821 20.695 1.00 0.00 WT2 ATOM 5513 OH2 TIP3 2918 7.665 14.053 18.812 1.00 0.00 WT2 ATOM 5514 H1 TIP3 2918 7.518 13.258 19.377 1.00 0.00 WT2 ATOM 5515 H2 TIP3 2918 6.730 14.317 18.620 1.00 0.00 WT2 ATOM 5516 OH2 TIP3 2919 6.901 12.370 4.796 1.00 0.00 WT2 ATOM 5517 H1 TIP3 2919 7.695 12.157 4.331 1.00 0.00 WT2 ATOM 5518 H2 TIP3 2919 6.139 12.102 4.186 1.00 0.00 WT2 ATOM 5519 OH2 TIP3 2922 -18.415 3.184 17.432 1.00 0.00 WT2 ATOM 5520 H1 TIP3 2922 -18.670 4.075 17.643 1.00 0.00 WT2 ATOM 5521 H2 TIP3 2922 -17.544 3.195 17.892 1.00 0.00 WT2 ATOM 5522 OH2 TIP3 2923 19.384 104.120 -55.419 1.00 0.00 WT2 ATOM 5523 H1 TIP3 2923 19.742 104.994 -55.221 1.00 0.00 WT2 ATOM 5524 H2 TIP3 2923 19.856 103.932 -56.218 1.00 0.00 WT2 ATOM 5525 OH2 TIP3 2925 -12.737 7.805 22.189 1.00 0.00 WT2 ATOM 5526 H1 TIP3 2925 -12.895 7.594 21.227 1.00 0.00 WT2 ATOM 5527 H2 TIP3 2925 -12.945 6.970 22.724 1.00 0.00 WT2 ATOM 5528 OH2 TIP3 2927 10.536 9.811 4.030 1.00 0.00 WT2 ATOM 5529 H1 TIP3 2927 9.699 9.234 3.875 1.00 0.00 WT2 ATOM 5530 H2 TIP3 2927 10.731 9.467 4.980 1.00 0.00 WT2 ATOM 5531 OH2 TIP3 2944 16.867 5.280 26.849 1.00 0.00 WT2 ATOM 5532 H1 TIP3 2944 17.201 5.788 27.644 1.00 0.00 WT2 ATOM 5533 H2 TIP3 2944 16.447 4.476 27.241 1.00 0.00 WT2 ATOM 5534 OH2 TIP3 2963 0.821 1.307 17.510 1.00 0.00 WT2 ATOM 5535 H1 TIP3 2963 0.923 1.864 16.718 1.00 0.00 WT2 ATOM 5536 H2 TIP3 2963 1.725 1.347 17.985 1.00 0.00 WT2 ATOM 5537 OH2 TIP3 3046 9.797 -5.941 29.761 1.00 0.00 WT2 ATOM 5538 H1 TIP3 3046 8.935 -5.643 30.005 1.00 0.00 WT2 ATOM 5539 H2 TIP3 3046 9.843 -5.563 28.795 1.00 0.00 WT2 ATOM 5540 OH2 TIP3 3073 8.071 -13.816 4.106 1.00 0.00 WT2 ATOM 5541 H1 TIP3 3073 8.349 -13.608 3.210 1.00 0.00 WT2 ATOM 5542 H2 TIP3 3073 7.077 -13.768 4.013 1.00 0.00 WT2 ATOM 5543 OH2 TIP3 3086 4.353 -7.931 19.375 1.00 0.00 WT2 ATOM 5544 H1 TIP3 3086 4.136 -8.127 20.289 1.00 0.00 WT2 ATOM 5545 H2 TIP3 3086 3.957 -7.053 19.190 1.00 0.00 WT2 ATOM 5546 OH2 TIP3 3091 12.471 -10.852 18.195 1.00 0.00 WT2 ATOM 5547 H1 TIP3 3091 11.782 -10.605 18.889 1.00 0.00 WT2 ATOM 5548 H2 TIP3 3091 12.119 -11.482 17.581 1.00 0.00 WT2 ATOM 5549 OH2 TIP3 3092 3.076 -10.604 22.393 1.00 0.00 WT2 ATOM 5550 H1 TIP3 3092 3.432 -11.104 23.168 1.00 0.00 WT2 ATOM 5551 H2 TIP3 3092 2.705 -11.296 21.793 1.00 0.00 WT2 ATOM 5552 OH2 TIP3 3095 6.498 -5.484 32.535 1.00 0.00 WT2 ATOM 5553 H1 TIP3 3095 6.349 -6.482 32.503 1.00 0.00 WT2 ATOM 5554 H2 TIP3 3095 7.452 -5.478 32.742 1.00 0.00 WT2 ATOM 5555 OH2 TIP3 3113 -2.645 -3.275 28.513 1.00 0.00 WT2 ATOM 5556 H1 TIP3 3113 -3.212 -2.716 27.899 1.00 0.00 WT2 ATOM 5557 H2 TIP3 3113 -3.123 -3.349 29.381 1.00 0.00 WT2 ATOM 5558 OH2 TIP3 3114 6.617 -13.437 25.047 1.00 0.00 WT2 ATOM 5559 H1 TIP3 3114 6.032 -12.654 25.064 1.00 0.00 WT2 ATOM 5560 H2 TIP3 3114 7.166 -13.279 24.262 1.00 0.00 WT2 ATOM 5561 OH2 TIP3 3115 -12.270 -8.768 17.338 1.00 0.00 WT2 ATOM 5562 H1 TIP3 3115 -12.311 -8.904 18.328 1.00 0.00 WT2 ATOM 5563 H2 TIP3 3115 -11.337 -9.144 17.143 1.00 0.00 WT2 ATOM 5564 OH2 TIP3 3129 8.592 -3.720 12.165 1.00 0.00 WT2 ATOM 5565 H1 TIP3 3129 9.574 -3.886 12.412 1.00 0.00 WT2 ATOM 5566 H2 TIP3 3129 8.409 -3.207 12.940 1.00 0.00 WT2 ATOM 5567 OH2 TIP3 3131 4.818 -11.077 32.959 1.00 0.00 WT2 ATOM 5568 H1 TIP3 3131 5.168 -11.189 32.051 1.00 0.00 WT2 ATOM 5569 H2 TIP3 3131 4.289 -11.899 33.048 1.00 0.00 WT2 ATOM 5570 OH2 TIP3 3134 -8.120 0.064 26.158 1.00 0.00 WT2 ATOM 5571 H1 TIP3 3134 -7.940 0.910 26.707 1.00 0.00 WT2 ATOM 5572 H2 TIP3 3134 -8.982 0.401 25.729 1.00 0.00 WT2 ATOM 5573 OH2 TIP3 3150 8.975 -12.416 10.058 1.00 0.00 WT2 ATOM 5574 H1 TIP3 3150 9.811 -12.330 9.565 1.00 0.00 WT2 ATOM 5575 H2 TIP3 3150 9.265 -12.762 10.949 1.00 0.00 WT2 ATOM 5576 OH2 TIP3 3151 6.729 -2.347 7.650 1.00 0.00 WT2 ATOM 5577 H1 TIP3 3151 7.452 -2.361 6.967 1.00 0.00 WT2 ATOM 5578 H2 TIP3 3151 6.087 -1.752 7.152 1.00 0.00 WT2 ATOM 5579 OH2 TIP3 3154 1.047 -6.855 25.224 1.00 0.00 WT2 ATOM 5580 H1 TIP3 3154 1.822 -6.394 25.550 1.00 0.00 WT2 ATOM 5581 H2 TIP3 3154 0.668 -6.210 24.700 1.00 0.00 WT2 ATOM 5582 OH2 TIP3 3155 -3.030 -2.120 34.183 1.00 0.00 WT2 ATOM 5583 H1 TIP3 3155 -2.105 -2.479 34.365 1.00 0.00 WT2 ATOM 5584 H2 TIP3 3155 -3.350 -2.991 34.390 1.00 0.00 WT2 ATOM 5585 OH2 TIP3 3176 3.608 5.904 15.341 1.00 0.00 WT2 ATOM 5586 H1 TIP3 3176 4.009 5.056 15.702 1.00 0.00 WT2 ATOM 5587 H2 TIP3 3176 3.256 6.325 16.161 1.00 0.00 WT2 ATOM 5588 OH2 TIP3 3178 -2.519 9.147 31.603 1.00 0.00 WT2 ATOM 5589 H1 TIP3 3178 -1.932 9.893 31.665 1.00 0.00 WT2 ATOM 5590 H2 TIP3 3178 -3.245 9.405 32.234 1.00 0.00 WT2 ATOM 5591 OH2 TIP3 3179 -7.397 -0.337 23.263 1.00 0.00 WT2 ATOM 5592 H1 TIP3 3179 -6.946 0.452 23.573 1.00 0.00 WT2 ATOM 5593 H2 TIP3 3179 -8.296 -0.172 23.385 1.00 0.00 WT2 ATOM 5594 OH2 TIP3 3187 10.176 -8.883 6.069 1.00 0.00 WT2 ATOM 5595 H1 TIP3 3187 9.478 -9.151 5.392 1.00 0.00 WT2 ATOM 5596 H2 TIP3 3187 10.325 -9.744 6.473 1.00 0.00 WT2 ATOM 5597 OH2 TIP3 3193 13.121 1.871 22.699 1.00 0.00 WT2 ATOM 5598 H1 TIP3 3193 12.443 2.479 22.452 1.00 0.00 WT2 ATOM 5599 H2 TIP3 3193 13.603 1.661 21.892 1.00 0.00 WT2 ATOM 5600 OH2 TIP3 3197 -1.144 8.632 37.300 1.00 0.00 WT2 ATOM 5601 H1 TIP3 3197 -0.561 7.863 37.504 1.00 0.00 WT2 ATOM 5602 H2 TIP3 3197 -0.732 8.920 36.493 1.00 0.00 WT2 ATOM 5603 OH2 TIP3 3198 -0.644 -7.801 19.623 1.00 0.00 WT2 ATOM 5604 H1 TIP3 3198 0.196 -7.649 20.057 1.00 0.00 WT2 ATOM 5605 H2 TIP3 3198 -0.794 -8.767 19.781 1.00 0.00 WT2 ATOM 5606 OH2 TIP3 3200 12.228 -9.303 14.387 1.00 0.00 WT2 ATOM 5607 H1 TIP3 3200 11.783 -9.742 13.592 1.00 0.00 WT2 ATOM 5608 H2 TIP3 3200 11.647 -9.648 15.149 1.00 0.00 WT2 ATOM 5609 OH2 TIP3 3216 10.242 14.812 20.264 1.00 0.00 WT2 ATOM 5610 H1 TIP3 3216 9.351 15.058 19.932 1.00 0.00 WT2 ATOM 5611 H2 TIP3 3216 10.843 15.488 19.991 1.00 0.00 WT2 ATOM 5612 OH2 TIP3 3218 -13.091 5.362 23.139 1.00 0.00 WT2 ATOM 5613 H1 TIP3 3218 -13.513 4.582 22.724 1.00 0.00 WT2 ATOM 5614 H2 TIP3 3218 -12.871 5.028 24.069 1.00 0.00 WT2 ATOM 5615 OH2 TIP3 3219 -1.444 -1.088 26.366 1.00 0.00 WT2 ATOM 5616 H1 TIP3 3219 -1.027 -1.828 26.006 1.00 0.00 WT2 ATOM 5617 H2 TIP3 3219 -1.184 -0.360 25.709 1.00 0.00 WT2 ATOM 5618 OH2 TIP3 3220 5.236 9.275 25.559 1.00 0.00 WT2 ATOM 5619 H1 TIP3 3220 6.039 9.178 26.111 1.00 0.00 WT2 ATOM 5620 H2 TIP3 3220 5.636 9.966 25.007 1.00 0.00 WT2 ATOM 5621 OH2 TIP3 3233 16.237 0.160 17.311 1.00 0.00 WT2 ATOM 5622 H1 TIP3 3233 15.829 -0.154 18.086 1.00 0.00 WT2 ATOM 5623 H2 TIP3 3233 16.110 -0.522 16.626 1.00 0.00 WT2 ATOM 5624 OH2 TIP3 3234 -4.364 -8.861 26.502 1.00 0.00 WT2 ATOM 5625 H1 TIP3 3234 -4.759 -9.178 25.687 1.00 0.00 WT2 ATOM 5626 H2 TIP3 3234 -5.069 -9.120 27.160 1.00 0.00 WT2 ATOM 5627 OH2 TIP3 3236 6.758 -14.628 9.706 1.00 0.00 WT2 ATOM 5628 H1 TIP3 3236 7.388 -13.895 9.636 1.00 0.00 WT2 ATOM 5629 H2 TIP3 3236 6.668 -14.709 10.641 1.00 0.00 WT2 ATOM 5630 OH2 TIP3 3239 1.487 13.694 25.126 1.00 0.00 WT2 ATOM 5631 H1 TIP3 3239 0.773 13.953 25.746 1.00 0.00 WT2 ATOM 5632 H2 TIP3 3239 2.275 13.865 25.595 1.00 0.00 WT2 ATOM 5633 OH2 TIP3 3240 -1.376 -6.306 28.897 1.00 0.00 WT2 ATOM 5634 H1 TIP3 3240 -1.432 -5.832 28.051 1.00 0.00 WT2 ATOM 5635 H2 TIP3 3240 -0.626 -6.889 28.653 1.00 0.00 WT2 ATOM 5636 OH2 TIP3 3243 -2.265 5.931 22.229 1.00 0.00 WT2 ATOM 5637 H1 TIP3 3243 -1.410 6.357 22.514 1.00 0.00 WT2 ATOM 5638 H2 TIP3 3243 -2.667 5.722 23.098 1.00 0.00 WT2 ATOM 5639 OH2 TIP3 3257 11.855 2.129 18.968 1.00 0.00 WT2 ATOM 5640 H1 TIP3 3257 11.997 2.528 18.127 1.00 0.00 WT2 ATOM 5641 H2 TIP3 3257 11.803 1.179 18.657 1.00 0.00 WT2 ATOM 5642 OH2 TIP3 3283 -3.282 12.959 25.724 1.00 0.00 WT2 ATOM 5643 H1 TIP3 3283 -3.564 13.842 25.879 1.00 0.00 WT2 ATOM 5644 H2 TIP3 3283 -2.727 12.760 26.429 1.00 0.00 WT2 ATOM 5645 OH2 TIP3 3284 14.962 10.686 21.055 1.00 0.00 WT2 ATOM 5646 H1 TIP3 3284 15.193 10.264 21.929 1.00 0.00 WT2 ATOM 5647 H2 TIP3 3284 14.148 10.297 20.899 1.00 0.00 WT2 ATOM 5648 OH2 TIP3 3296 12.731 -9.262 8.100 1.00 0.00 WT2 ATOM 5649 H1 TIP3 3296 13.261 -8.526 8.562 1.00 0.00 WT2 ATOM 5650 H2 TIP3 3296 13.283 -9.416 7.368 1.00 0.00 WT2 ATOM 5651 OH2 TIP3 3301 5.566 7.765 20.958 1.00 0.00 WT2 ATOM 5652 H1 TIP3 3301 5.018 7.095 20.508 1.00 0.00 WT2 ATOM 5653 H2 TIP3 3301 4.923 8.130 21.649 1.00 0.00 WT2 ATOM 5654 OH2 TIP3 3302 8.963 5.257 20.137 1.00 0.00 WT2 ATOM 5655 H1 TIP3 3302 9.363 6.183 19.977 1.00 0.00 WT2 ATOM 5656 H2 TIP3 3302 8.368 5.584 20.885 1.00 0.00 WT2 ATOM 5657 OH2 TIP3 3303 4.440 -17.798 22.561 1.00 0.00 WT2 ATOM 5658 H1 TIP3 3303 3.834 -18.480 22.351 1.00 0.00 WT2 ATOM 5659 H2 TIP3 3303 3.826 -17.050 22.589 1.00 0.00 WT2 ATOM 5660 OH2 TIP3 3304 -5.151 -3.179 21.650 1.00 0.00 WT2 ATOM 5661 H1 TIP3 3304 -4.640 -2.355 21.737 1.00 0.00 WT2 ATOM 5662 H2 TIP3 3304 -5.876 -2.990 20.971 1.00 0.00 WT2 ATOM 5663 OH2 TIP3 3305 -6.546 -1.519 28.014 1.00 0.00 WT2 ATOM 5664 H1 TIP3 3305 -7.078 -1.080 27.290 1.00 0.00 WT2 ATOM 5665 H2 TIP3 3305 -5.665 -1.637 27.585 1.00 0.00 WT2 ATOM 5666 OH2 TIP3 3317 6.043 9.010 12.444 1.00 0.00 WT2 ATOM 5667 H1 TIP3 3317 5.305 8.823 13.046 1.00 0.00 WT2 ATOM 5668 H2 TIP3 3317 6.752 8.668 13.055 1.00 0.00 WT2 ATOM 5669 OH2 TIP3 3319 9.109 -1.803 -2.107 1.00 0.00 WT2 ATOM 5670 H1 TIP3 3319 9.114 -1.015 -1.532 1.00 0.00 WT2 ATOM 5671 H2 TIP3 3319 8.732 -1.454 -2.951 1.00 0.00 WT2 ATOM 5672 OH2 TIP3 3321 -2.707 8.423 24.760 1.00 0.00 WT2 ATOM 5673 H1 TIP3 3321 -3.401 8.621 24.077 1.00 0.00 WT2 ATOM 5674 H2 TIP3 3321 -1.883 8.139 24.300 1.00 0.00 WT2 ATOM 5675 OH2 TIP3 3322 4.948 10.750 19.504 1.00 0.00 WT2 ATOM 5676 H1 TIP3 3322 4.610 9.889 19.886 1.00 0.00 WT2 ATOM 5677 H2 TIP3 3322 4.106 11.124 19.110 1.00 0.00 WT2 ATOM 5678 OH2 TIP3 3326 3.324 10.577 29.018 1.00 0.00 WT2 ATOM 5679 H1 TIP3 3326 2.804 11.336 28.787 1.00 0.00 WT2 ATOM 5680 H2 TIP3 3326 2.762 9.926 28.555 1.00 0.00 WT2 ATOM 5681 OH2 TIP3 3341 -1.624 5.895 26.237 1.00 0.00 WT2 ATOM 5682 H1 TIP3 3341 -1.200 6.667 26.737 1.00 0.00 WT2 ATOM 5683 H2 TIP3 3341 -2.304 6.399 25.815 1.00 0.00 WT2 ATOM 5684 OH2 TIP3 3342 -5.547 8.113 27.526 1.00 0.00 WT2 ATOM 5685 H1 TIP3 3342 -4.767 8.531 27.709 1.00 0.00 WT2 ATOM 5686 H2 TIP3 3342 -6.030 8.031 28.430 1.00 0.00 WT2 ATOM 5687 OH2 TIP3 3344 7.107 12.247 25.935 1.00 0.00 WT2 ATOM 5688 H1 TIP3 3344 7.870 11.780 26.190 1.00 0.00 WT2 ATOM 5689 H2 TIP3 3344 7.200 12.367 24.996 1.00 0.00 WT2 ATOM 5690 OH2 TIP3 3347 1.377 8.600 31.489 1.00 0.00 WT2 ATOM 5691 H1 TIP3 3347 1.655 8.408 32.435 1.00 0.00 WT2 ATOM 5692 H2 TIP3 3347 2.230 8.346 31.047 1.00 0.00 WT2 ATOM 5693 OH2 TIP3 3348 7.334 13.062 22.850 1.00 0.00 WT2 ATOM 5694 H1 TIP3 3348 8.294 13.141 22.815 1.00 0.00 WT2 ATOM 5695 H2 TIP3 3348 7.147 12.753 21.936 1.00 0.00 WT2 ATOM 5696 OH2 TIP3 3360 -3.616 13.264 14.857 1.00 0.00 WT2 ATOM 5697 H1 TIP3 3360 -4.248 12.639 14.472 1.00 0.00 WT2 ATOM 5698 H2 TIP3 3360 -3.583 13.078 15.772 1.00 0.00 WT2 ATOM 5699 OH2 TIP3 3364 4.842 1.693 4.692 1.00 0.00 WT2 ATOM 5700 H1 TIP3 3364 5.497 1.967 3.988 1.00 0.00 WT2 ATOM 5701 H2 TIP3 3364 4.729 0.750 4.441 1.00 0.00 WT2 ATOM 5702 OH2 TIP3 3367 0.532 6.364 36.905 1.00 0.00 WT2 ATOM 5703 H1 TIP3 3367 0.785 5.713 36.204 1.00 0.00 WT2 ATOM 5704 H2 TIP3 3367 1.362 6.843 37.065 1.00 0.00 WT2 ATOM 5705 OH2 TIP3 3381 -13.319 6.489 13.454 1.00 0.00 WT2 ATOM 5706 H1 TIP3 3381 -13.306 6.941 14.286 1.00 0.00 WT2 ATOM 5707 H2 TIP3 3381 -12.967 7.174 12.898 1.00 0.00 WT2 ATOM 5708 OH2 TIP3 3382 14.860 8.921 23.320 1.00 0.00 WT2 ATOM 5709 H1 TIP3 3382 14.179 8.296 23.630 1.00 0.00 WT2 ATOM 5710 H2 TIP3 3382 15.641 8.443 23.718 1.00 0.00 WT2 ATOM 5711 OH2 TIP3 3402 15.801 0.728 13.750 1.00 0.00 WT2 ATOM 5712 H1 TIP3 3402 16.245 -0.171 13.768 1.00 0.00 WT2 ATOM 5713 H2 TIP3 3402 16.367 1.182 13.077 1.00 0.00 WT2 ATOM 5714 OH2 TIP3 3442 -6.552 -2.915 19.215 1.00 0.00 WT2 ATOM 5715 H1 TIP3 3442 -7.377 -3.140 18.866 1.00 0.00 WT2 ATOM 5716 H2 TIP3 3442 -6.013 -3.742 18.795 1.00 0.00 WT2 ATOM 5717 OH2 TIP3 3513 19.139 2.325 20.869 1.00 0.00 WT2 ATOM 5718 H1 TIP3 3513 19.312 2.937 21.629 1.00 0.00 WT2 ATOM 5719 H2 TIP3 3513 19.383 1.413 21.157 1.00 0.00 WT2 ATOM 5720 OH2 TIP3 3527 -5.118 -4.764 25.001 1.00 0.00 WT2 ATOM 5721 H1 TIP3 3527 -5.133 -3.761 25.274 1.00 0.00 WT2 ATOM 5722 H2 TIP3 3527 -5.377 -5.119 25.841 1.00 0.00 WT2 ATOM 5723 OH2 TIP3 3534 1.396 -8.574 21.457 1.00 0.00 WT2 ATOM 5724 H1 TIP3 3534 0.863 -8.570 22.279 1.00 0.00 WT2 ATOM 5725 H2 TIP3 3534 1.865 -9.436 21.556 1.00 0.00 WT2 ATOM 5726 OH2 TIP3 3548 -3.114 -10.556 17.223 1.00 0.00 WT2 ATOM 5727 H1 TIP3 3548 -2.642 -10.175 16.499 1.00 0.00 WT2 ATOM 5728 H2 TIP3 3548 -3.979 -10.897 16.803 1.00 0.00 WT2 ATOM 5729 OH2 TIP3 3554 -2.717 -14.384 25.515 1.00 0.00 WT2 ATOM 5730 H1 TIP3 3554 -2.367 -14.271 26.393 1.00 0.00 WT2 ATOM 5731 H2 TIP3 3554 -2.849 -13.457 25.424 1.00 0.00 WT2 ATOM 5732 OH2 TIP3 3557 -9.453 -2.354 24.887 1.00 0.00 WT2 ATOM 5733 H1 TIP3 3557 -8.847 -1.834 25.356 1.00 0.00 WT2 ATOM 5734 H2 TIP3 3557 -8.937 -3.143 24.575 1.00 0.00 WT2 ATOM 5735 OH2 TIP3 3569 10.612 6.212 33.690 1.00 0.00 WT2 ATOM 5736 H1 TIP3 3569 9.706 6.425 33.499 1.00 0.00 WT2 ATOM 5737 H2 TIP3 3569 11.037 6.899 33.173 1.00 0.00 WT2 ATOM 5738 OH2 TIP3 3573 12.004 -1.697 12.797 1.00 0.00 WT2 ATOM 5739 H1 TIP3 3573 11.613 -2.568 13.066 1.00 0.00 WT2 ATOM 5740 H2 TIP3 3573 11.175 -1.362 12.438 1.00 0.00 WT2 ATOM 5741 OH2 TIP3 3592 -0.529 12.603 33.073 1.00 0.00 WT2 ATOM 5742 H1 TIP3 3592 0.222 13.033 32.557 1.00 0.00 WT2 ATOM 5743 H2 TIP3 3592 -0.462 11.791 32.520 1.00 0.00 WT2 ATOM 5744 OH2 TIP3 3593 12.945 -5.772 -3.126 1.00 0.00 WT2 ATOM 5745 H1 TIP3 3593 12.746 -4.894 -2.759 1.00 0.00 WT2 ATOM 5746 H2 TIP3 3593 13.434 -5.562 -3.985 1.00 0.00 WT2 ATOM 5747 OH2 TIP3 3596 -7.314 -11.181 20.331 1.00 0.00 WT2 ATOM 5748 H1 TIP3 3596 -7.306 -11.887 19.663 1.00 0.00 WT2 ATOM 5749 H2 TIP3 3596 -6.426 -10.947 20.386 1.00 0.00 WT2 ATOM 5750 OH2 TIP3 3600 -6.371 3.316 31.734 1.00 0.00 WT2 ATOM 5751 H1 TIP3 3600 -6.453 2.691 30.969 1.00 0.00 WT2 ATOM 5752 H2 TIP3 3600 -5.887 2.835 32.514 1.00 0.00 WT2 ATOM 5753 OH2 TIP3 3612 0.370 0.126 36.042 1.00 0.00 WT2 ATOM 5754 H1 TIP3 3612 0.437 -0.785 36.147 1.00 0.00 WT2 ATOM 5755 H2 TIP3 3612 0.917 0.432 36.805 1.00 0.00 WT2 ATOM 5756 OH2 TIP3 3617 16.070 7.227 20.628 1.00 0.00 WT2 ATOM 5757 H1 TIP3 3617 15.586 7.873 21.153 1.00 0.00 WT2 ATOM 5758 H2 TIP3 3617 16.640 6.764 21.214 1.00 0.00 WT2 ATOM 5759 OH2 TIP3 3634 11.819 -0.403 17.887 1.00 0.00 WT2 ATOM 5760 H1 TIP3 3634 11.484 -1.322 17.973 1.00 0.00 WT2 ATOM 5761 H2 TIP3 3634 12.272 -0.559 17.059 1.00 0.00 WT2 ATOM 5762 OH2 TIP3 3636 12.265 4.945 21.432 1.00 0.00 WT2 ATOM 5763 H1 TIP3 3636 13.213 4.776 21.638 1.00 0.00 WT2 ATOM 5764 H2 TIP3 3636 12.355 4.988 20.513 1.00 0.00 WT2 ATOM 5765 OH2 TIP3 3638 14.539 8.713 14.961 1.00 0.00 WT2 ATOM 5766 H1 TIP3 3638 14.203 7.843 14.875 1.00 0.00 WT2 ATOM 5767 H2 TIP3 3638 15.127 8.580 15.770 1.00 0.00 WT2 ATOM 5768 OH2 TIP3 3639 10.706 -6.110 18.771 1.00 0.00 WT2 ATOM 5769 H1 TIP3 3639 9.840 -5.753 18.544 1.00 0.00 WT2 ATOM 5770 H2 TIP3 3639 10.431 -6.981 19.068 1.00 0.00 WT2 ATOM 5771 OH2 TIP3 3641 -5.547 -5.442 18.235 1.00 0.00 WT2 ATOM 5772 H1 TIP3 3641 -5.018 -6.254 18.570 1.00 0.00 WT2 ATOM 5773 H2 TIP3 3641 -6.333 -5.946 17.790 1.00 0.00 WT2 ATOM 5774 OH2 TIP3 3651 -0.947 12.811 8.575 1.00 0.00 WT2 ATOM 5775 H1 TIP3 3651 -0.171 12.896 8.137 1.00 0.00 WT2 ATOM 5776 H2 TIP3 3651 -0.580 12.874 9.502 1.00 0.00 WT2 ATOM 5777 OH2 TIP3 3653 -13.552 0.339 22.660 1.00 0.00 WT2 ATOM 5778 H1 TIP3 3653 -12.623 0.177 22.922 1.00 0.00 WT2 ATOM 5779 H2 TIP3 3653 -14.015 -0.118 23.443 1.00 0.00 WT2 ATOM 5780 OH2 TIP3 3657 8.061 -9.147 26.101 1.00 0.00 WT2 ATOM 5781 H1 TIP3 3657 8.631 -8.934 25.308 1.00 0.00 WT2 ATOM 5782 H2 TIP3 3657 8.576 -9.759 26.582 1.00 0.00 WT2 ATOM 5783 OH2 TIP3 3658 -2.413 10.919 33.985 1.00 0.00 WT2 ATOM 5784 H1 TIP3 3658 -1.684 10.433 34.414 1.00 0.00 WT2 ATOM 5785 H2 TIP3 3658 -2.044 11.773 33.857 1.00 0.00 WT2 ATOM 5786 OH2 TIP3 3659 -11.888 6.885 19.502 1.00 0.00 WT2 ATOM 5787 H1 TIP3 3659 -11.380 6.438 20.166 1.00 0.00 WT2 ATOM 5788 H2 TIP3 3659 -11.157 7.200 18.886 1.00 0.00 WT2 ATOM 5789 OH2 TIP3 3660 1.078 -15.066 9.350 1.00 0.00 WT2 ATOM 5790 H1 TIP3 3660 1.861 -15.391 9.841 1.00 0.00 WT2 ATOM 5791 H2 TIP3 3660 1.509 -14.629 8.583 1.00 0.00 WT2 ATOM 5792 OH2 TIP3 3661 -5.702 -10.158 23.989 1.00 0.00 WT2 ATOM 5793 H1 TIP3 3661 -6.515 -10.576 23.706 1.00 0.00 WT2 ATOM 5794 H2 TIP3 3661 -5.761 -9.257 23.620 1.00 0.00 WT2 ATOM 5795 OH2 TIP3 3662 -3.778 -6.023 34.465 1.00 0.00 WT2 ATOM 5796 H1 TIP3 3662 -4.614 -5.898 33.975 1.00 0.00 WT2 ATOM 5797 H2 TIP3 3662 -3.063 -6.082 33.795 1.00 0.00 WT2 ATOM 5798 OH2 TIP3 3674 10.892 -4.192 13.280 1.00 0.00 WT2 ATOM 5799 H1 TIP3 3674 10.761 -5.152 13.345 1.00 0.00 WT2 ATOM 5800 H2 TIP3 3674 10.722 -3.889 14.191 1.00 0.00 WT2 ATOM 5801 OH2 TIP3 3677 -3.955 6.725 31.465 1.00 0.00 WT2 ATOM 5802 H1 TIP3 3677 -3.729 7.544 31.921 1.00 0.00 WT2 ATOM 5803 H2 TIP3 3677 -4.745 6.404 31.946 1.00 0.00 WT2 ATOM 5804 OH2 TIP3 3682 -2.438 -10.795 26.386 1.00 0.00 WT2 ATOM 5805 H1 TIP3 3682 -3.060 -10.099 26.652 1.00 0.00 WT2 ATOM 5806 H2 TIP3 3682 -1.664 -10.264 26.518 1.00 0.00 WT2 ATOM 5807 OH2 TIP3 3684 14.468 2.054 32.784 1.00 0.00 WT2 ATOM 5808 H1 TIP3 3684 14.969 2.265 33.585 1.00 0.00 WT2 ATOM 5809 H2 TIP3 3684 13.871 2.837 32.787 1.00 0.00 WT2 ATOM 5810 OH2 TIP3 3688 2.303 2.789 36.194 1.00 0.00 WT2 ATOM 5811 H1 TIP3 3688 3.044 2.341 35.761 1.00 0.00 WT2 ATOM 5812 H2 TIP3 3688 1.597 2.717 35.580 1.00 0.00 WT2 ATOM 5813 OH2 TIP3 3698 0.865 15.016 22.870 1.00 0.00 WT2 ATOM 5814 H1 TIP3 3698 0.583 14.885 23.776 1.00 0.00 WT2 ATOM 5815 H2 TIP3 3698 1.816 14.784 22.885 1.00 0.00 WT2 ATOM 5816 OH2 TIP3 3700 15.122 -9.264 23.834 1.00 0.00 WT2 ATOM 5817 H1 TIP3 3700 15.619 -8.861 23.141 1.00 0.00 WT2 ATOM 5818 H2 TIP3 3700 14.342 -9.577 23.315 1.00 0.00 WT2 ATOM 5819 OH2 TIP3 3701 11.918 -1.285 9.538 1.00 0.00 WT2 ATOM 5820 H1 TIP3 3701 11.728 -1.491 8.641 1.00 0.00 WT2 ATOM 5821 H2 TIP3 3701 12.243 -2.097 9.890 1.00 0.00 WT2 ATOM 5822 OH2 TIP3 3703 -13.873 -3.394 22.542 1.00 0.00 WT2 ATOM 5823 H1 TIP3 3703 -13.181 -3.389 21.856 1.00 0.00 WT2 ATOM 5824 H2 TIP3 3703 -14.075 -4.324 22.539 1.00 0.00 WT2 ATOM 5825 OH2 TIP3 3707 -11.757 4.694 25.512 1.00 0.00 WT2 ATOM 5826 H1 TIP3 3707 -11.725 3.752 25.768 1.00 0.00 WT2 ATOM 5827 H2 TIP3 3707 -11.775 5.113 26.389 1.00 0.00 WT2 ATOM 5828 OH2 TIP3 3708 -4.706 1.951 21.721 1.00 0.00 WT2 ATOM 5829 H1 TIP3 3708 -5.420 1.742 22.308 1.00 0.00 WT2 ATOM 5830 H2 TIP3 3708 -4.682 2.896 21.745 1.00 0.00 WT2 ATOM 5831 OH2 TIP3 3719 11.973 4.251 8.839 1.00 0.00 WT2 ATOM 5832 H1 TIP3 3719 12.083 5.002 8.261 1.00 0.00 WT2 ATOM 5833 H2 TIP3 3719 12.348 4.651 9.650 1.00 0.00 WT2 ATOM 5834 OH2 TIP3 3723 -8.737 -0.922 11.653 1.00 0.00 WT2 ATOM 5835 H1 TIP3 3723 -8.280 -1.347 10.881 1.00 0.00 WT2 ATOM 5836 H2 TIP3 3723 -9.225 -1.714 12.072 1.00 0.00 WT2 ATOM 5837 OH2 TIP3 3724 -0.986 7.273 33.301 1.00 0.00 WT2 ATOM 5838 H1 TIP3 3724 -1.394 7.321 34.118 1.00 0.00 WT2 ATOM 5839 H2 TIP3 3724 -1.362 8.050 32.922 1.00 0.00 WT2 ATOM 5840 OH2 TIP3 3727 10.167 10.635 21.021 1.00 0.00 WT2 ATOM 5841 H1 TIP3 3727 9.588 9.976 20.598 1.00 0.00 WT2 ATOM 5842 H2 TIP3 3727 11.003 10.196 20.840 1.00 0.00 WT2 ATOM 5843 OH2 TIP3 3737 -7.269 8.202 14.355 1.00 0.00 WT2 ATOM 5844 H1 TIP3 3737 -6.950 8.637 15.146 1.00 0.00 WT2 ATOM 5845 H2 TIP3 3737 -6.875 7.324 14.335 1.00 0.00 WT2 ATOM 5846 OH2 TIP3 3743 -2.286 11.858 23.068 1.00 0.00 WT2 ATOM 5847 H1 TIP3 3743 -2.639 12.179 23.888 1.00 0.00 WT2 ATOM 5848 H2 TIP3 3743 -2.073 12.708 22.661 1.00 0.00 WT2 ATOM 5849 OH2 TIP3 3745 5.445 -9.870 25.107 1.00 0.00 WT2 ATOM 5850 H1 TIP3 3745 6.385 -9.879 25.141 1.00 0.00 WT2 ATOM 5851 H2 TIP3 3745 5.320 -9.358 24.252 1.00 0.00 WT2 ATOM 5852 OH2 TIP3 3757 5.922 13.498 30.151 1.00 0.00 WT2 ATOM 5853 H1 TIP3 3757 6.952 13.606 30.033 1.00 0.00 WT2 ATOM 5854 H2 TIP3 3757 5.820 12.604 29.933 1.00 0.00 WT2 ATOM 5855 OH2 TIP3 3761 10.321 10.585 34.071 1.00 0.00 WT2 ATOM 5856 H1 TIP3 3761 9.973 11.442 33.666 1.00 0.00 WT2 ATOM 5857 H2 TIP3 3761 9.430 10.269 34.221 1.00 0.00 WT2 ATOM 5858 OH2 TIP3 3764 -1.572 11.718 19.892 1.00 0.00 WT2 ATOM 5859 H1 TIP3 3764 -2.392 11.153 19.771 1.00 0.00 WT2 ATOM 5860 H2 TIP3 3764 -1.778 12.472 20.563 1.00 0.00 WT2 ATOM 5861 OH2 TIP3 3770 10.712 6.264 36.570 1.00 0.00 WT2 ATOM 5862 H1 TIP3 3770 9.827 6.383 37.065 1.00 0.00 WT2 ATOM 5863 H2 TIP3 3770 10.448 6.429 35.727 1.00 0.00 WT2 ATOM 5864 OH2 TIP3 3776 6.541 4.516 4.577 1.00 0.00 WT2 ATOM 5865 H1 TIP3 3776 7.418 4.246 4.837 1.00 0.00 WT2 ATOM 5866 H2 TIP3 3776 6.315 3.878 3.868 1.00 0.00 WT2 ATOM 5867 OH2 TIP3 3779 -3.961 4.457 12.091 1.00 0.00 WT2 ATOM 5868 H1 TIP3 3779 -3.435 5.284 11.915 1.00 0.00 WT2 ATOM 5869 H2 TIP3 3779 -4.715 4.533 11.470 1.00 0.00 WT2 ATOM 5870 OH2 TIP3 3782 7.673 9.734 23.622 1.00 0.00 WT2 ATOM 5871 H1 TIP3 3782 6.907 10.301 23.471 1.00 0.00 WT2 ATOM 5872 H2 TIP3 3782 7.950 9.487 22.718 1.00 0.00 WT2 ATOM 5873 OH2 TIP3 3787 1.367 -7.902 31.737 1.00 0.00 WT2 ATOM 5874 H1 TIP3 3787 1.664 -7.006 31.823 1.00 0.00 WT2 ATOM 5875 H2 TIP3 3787 1.784 -8.280 32.544 1.00 0.00 WT2 ATOM 5876 OH2 TIP3 3792 3.914 11.069 31.964 1.00 0.00 WT2 ATOM 5877 H1 TIP3 3792 4.233 10.185 31.756 1.00 0.00 WT2 ATOM 5878 H2 TIP3 3792 3.473 11.198 31.131 1.00 0.00 WT2 ATOM 5879 OH2 TIP3 3821 9.973 14.751 -8.461 1.00 0.00 WT2 ATOM 5880 H1 TIP3 3821 10.101 14.497 -7.565 1.00 0.00 WT2 ATOM 5881 H2 TIP3 3821 9.164 15.241 -8.464 1.00 0.00 WT2 ATOM 5882 OH2 TIP3 3829 13.172 -0.088 24.905 1.00 0.00 WT2 ATOM 5883 H1 TIP3 3829 12.866 0.682 25.398 1.00 0.00 WT2 ATOM 5884 H2 TIP3 3829 13.056 0.289 23.994 1.00 0.00 WT2 ATOM 5885 OH2 TIP3 3892 3.218 14.588 9.791 1.00 0.00 WT2 ATOM 5886 H1 TIP3 3892 3.948 15.066 9.402 1.00 0.00 WT2 ATOM 5887 H2 TIP3 3892 3.647 14.387 10.614 1.00 0.00 WT2 ATOM 5888 OH2 TIP3 3931 14.065 -8.915 19.499 1.00 0.00 WT2 ATOM 5889 H1 TIP3 3931 14.233 -9.420 20.287 1.00 0.00 WT2 ATOM 5890 H2 TIP3 3931 13.574 -9.498 18.964 1.00 0.00 WT2 ATOM 5891 OH2 TIP3 3933 -3.113 -13.553 20.256 1.00 0.00 WT2 ATOM 5892 H1 TIP3 3933 -3.374 -14.168 21.012 1.00 0.00 WT2 ATOM 5893 H2 TIP3 3933 -3.720 -12.868 20.415 1.00 0.00 WT2 ATOM 5894 OH2 TIP3 3975 5.298 -16.771 19.963 1.00 0.00 WT2 ATOM 5895 H1 TIP3 3975 4.418 -16.332 20.058 1.00 0.00 WT2 ATOM 5896 H2 TIP3 3975 5.341 -17.272 20.790 1.00 0.00 WT2 ATOM 5897 OH2 TIP3 3976 3.824 -6.507 26.146 1.00 0.00 WT2 ATOM 5898 H1 TIP3 3976 3.680 -7.056 26.987 1.00 0.00 WT2 ATOM 5899 H2 TIP3 3976 4.803 -6.364 26.103 1.00 0.00 WT2 ATOM 5900 OH2 TIP3 3992 12.317 -0.449 -1.363 1.00 0.00 WT2 ATOM 5901 H1 TIP3 3992 11.776 -0.065 -0.700 1.00 0.00 WT2 ATOM 5902 H2 TIP3 3992 11.766 -0.262 -2.151 1.00 0.00 WT2 ATOM 5903 OH2 TIP3 3994 6.860 -14.204 12.556 1.00 0.00 WT2 ATOM 5904 H1 TIP3 3994 6.471 -13.341 12.827 1.00 0.00 WT2 ATOM 5905 H2 TIP3 3994 7.754 -14.090 12.938 1.00 0.00 WT2 ATOM 5906 OH2 TIP3 3996 3.225 -14.942 6.264 1.00 0.00 WT2 ATOM 5907 H1 TIP3 3996 2.879 -15.814 6.113 1.00 0.00 WT2 ATOM 5908 H2 TIP3 3996 3.746 -15.158 7.079 1.00 0.00 WT2 ATOM 5909 OH2 TIP3 4009 12.833 -3.743 29.720 1.00 0.00 WT2 ATOM 5910 H1 TIP3 4009 12.408 -4.571 29.832 1.00 0.00 WT2 ATOM 5911 H2 TIP3 4009 13.168 -3.468 30.649 1.00 0.00 WT2 ATOM 5912 OH2 TIP3 4010 9.036 -14.159 27.429 1.00 0.00 WT2 ATOM 5913 H1 TIP3 4010 9.181 -14.144 26.529 1.00 0.00 WT2 ATOM 5914 H2 TIP3 4010 8.467 -14.913 27.453 1.00 0.00 WT2 ATOM 5915 OH2 TIP3 4012 0.675 -10.923 16.860 1.00 0.00 WT2 ATOM 5916 H1 TIP3 4012 -0.052 -10.745 17.497 1.00 0.00 WT2 ATOM 5917 H2 TIP3 4012 1.366 -11.037 17.530 1.00 0.00 WT2 ATOM 5918 OH2 TIP3 4033 10.206 4.987 13.286 1.00 0.00 WT2 ATOM 5919 H1 TIP3 4033 10.930 4.315 13.059 1.00 0.00 WT2 ATOM 5920 H2 TIP3 4033 10.512 5.748 12.846 1.00 0.00 WT2 ATOM 5921 OH2 TIP3 4035 2.057 -11.736 26.522 1.00 0.00 WT2 ATOM 5922 H1 TIP3 4035 2.080 -10.808 26.181 1.00 0.00 WT2 ATOM 5923 H2 TIP3 4035 2.556 -11.587 27.315 1.00 0.00 WT2 ATOM 5924 OH2 TIP3 4037 2.365 -9.258 25.528 1.00 0.00 WT2 ATOM 5925 H1 TIP3 4037 3.255 -8.889 25.485 1.00 0.00 WT2 ATOM 5926 H2 TIP3 4037 1.867 -8.412 25.291 1.00 0.00 WT2 ATOM 5927 OH2 TIP3 4054 12.113 -2.604 25.743 1.00 0.00 WT2 ATOM 5928 H1 TIP3 4054 12.096 -3.184 24.941 1.00 0.00 WT2 ATOM 5929 H2 TIP3 4054 12.300 -1.732 25.343 1.00 0.00 WT2 ATOM 5930 OH2 TIP3 4057 18.073 5.396 22.456 1.00 0.00 WT2 ATOM 5931 H1 TIP3 4057 17.803 6.108 23.045 1.00 0.00 WT2 ATOM 5932 H2 TIP3 4057 18.494 4.807 23.099 1.00 0.00 WT2 ATOM 5933 OH2 TIP3 4058 9.460 -12.892 12.887 1.00 0.00 WT2 ATOM 5934 H1 TIP3 4058 8.948 -12.124 13.017 1.00 0.00 WT2 ATOM 5935 H2 TIP3 4058 9.801 -13.103 13.819 1.00 0.00 WT2 ATOM 5936 OH2 TIP3 4060 10.519 -4.961 27.022 1.00 0.00 WT2 ATOM 5937 H1 TIP3 4060 10.100 -5.087 26.145 1.00 0.00 WT2 ATOM 5938 H2 TIP3 4060 11.408 -4.541 26.870 1.00 0.00 WT2 ATOM 5939 OH2 TIP3 4064 8.638 13.945 29.922 1.00 0.00 WT2 ATOM 5940 H1 TIP3 4064 8.966 14.876 29.682 1.00 0.00 WT2 ATOM 5941 H2 TIP3 4064 9.188 13.368 29.366 1.00 0.00 WT2 ATOM 5942 OH2 TIP3 4074 -14.416 -1.437 24.465 1.00 0.00 WT2 ATOM 5943 H1 TIP3 4074 -14.326 -2.094 23.689 1.00 0.00 WT2 ATOM 5944 H2 TIP3 4074 -14.491 -1.965 25.249 1.00 0.00 WT2 ATOM 5945 OH2 TIP3 4077 -11.135 -0.758 15.827 1.00 0.00 WT2 ATOM 5946 H1 TIP3 4077 -11.695 -1.526 16.067 1.00 0.00 WT2 ATOM 5947 H2 TIP3 4077 -11.755 -0.529 15.060 1.00 0.00 WT2 ATOM 5948 OH2 TIP3 4079 -1.285 -7.157 32.735 1.00 0.00 WT2 ATOM 5949 H1 TIP3 4079 -1.412 -7.827 32.041 1.00 0.00 WT2 ATOM 5950 H2 TIP3 4079 -0.361 -6.983 32.686 1.00 0.00 WT2 ATOM 5951 OH2 TIP3 4081 -5.410 4.741 22.522 1.00 0.00 WT2 ATOM 5952 H1 TIP3 4081 -5.373 5.649 22.151 1.00 0.00 WT2 ATOM 5953 H2 TIP3 4081 -4.771 4.790 23.282 1.00 0.00 WT2 ATOM 5954 OH2 TIP3 4093 5.502 5.057 7.107 1.00 0.00 WT2 ATOM 5955 H1 TIP3 4093 5.645 4.882 6.082 1.00 0.00 WT2 ATOM 5956 H2 TIP3 4093 6.005 5.870 7.361 1.00 0.00 WT2 ATOM 5957 OH2 TIP3 4096 -2.427 -5.218 31.035 1.00 0.00 WT2 ATOM 5958 H1 TIP3 4096 -1.894 -5.634 30.261 1.00 0.00 WT2 ATOM 5959 H2 TIP3 4096 -2.223 -5.928 31.697 1.00 0.00 WT2 ATOM 5960 OH2 TIP3 4098 16.406 1.364 22.073 1.00 0.00 WT2 ATOM 5961 H1 TIP3 4098 17.021 1.720 22.676 1.00 0.00 WT2 ATOM 5962 H2 TIP3 4098 15.929 2.109 21.727 1.00 0.00 WT2 ATOM 5963 OH2 TIP3 4099 13.002 9.826 29.832 1.00 0.00 WT2 ATOM 5964 H1 TIP3 4099 12.763 10.666 30.310 1.00 0.00 WT2 ATOM 5965 H2 TIP3 4099 12.406 9.844 29.092 1.00 0.00 WT2 ATOM 5966 OH2 TIP3 4101 14.148 5.593 35.152 1.00 0.00 WT2 ATOM 5967 H1 TIP3 4101 13.722 5.850 36.030 1.00 0.00 WT2 ATOM 5968 H2 TIP3 4101 14.348 6.477 34.760 1.00 0.00 WT2 ATOM 5969 OH2 TIP3 4104 0.011 3.208 34.391 1.00 0.00 WT2 ATOM 5970 H1 TIP3 4104 -0.650 3.553 33.784 1.00 0.00 WT2 ATOM 5971 H2 TIP3 4104 -0.504 2.778 35.050 1.00 0.00 WT2 ATOM 5972 OH2 TIP3 4116 7.772 9.259 20.531 1.00 0.00 WT2 ATOM 5973 H1 TIP3 4116 8.206 8.951 19.709 1.00 0.00 WT2 ATOM 5974 H2 TIP3 4116 6.906 8.841 20.443 1.00 0.00 WT2 ATOM 5975 OH2 TIP3 4120 9.270 12.274 32.213 1.00 0.00 WT2 ATOM 5976 H1 TIP3 4120 9.110 13.032 31.566 1.00 0.00 WT2 ATOM 5977 H2 TIP3 4120 9.017 11.517 31.632 1.00 0.00 WT2 ATOM 5978 OH2 TIP3 4123 15.419 1.225 30.074 1.00 0.00 WT2 ATOM 5979 H1 TIP3 4123 16.088 0.813 30.546 1.00 0.00 WT2 ATOM 5980 H2 TIP3 4123 15.000 1.652 30.873 1.00 0.00 WT2 ATOM 5981 OH2 TIP3 4140 7.808 6.053 37.694 1.00 0.00 WT2 ATOM 5982 H1 TIP3 4140 7.220 6.821 37.519 1.00 0.00 WT2 ATOM 5983 H2 TIP3 4140 7.298 5.243 37.401 1.00 0.00 WT2 ATOM 5984 OH2 TIP3 4161 7.854 7.726 13.982 1.00 0.00 WT2 ATOM 5985 H1 TIP3 4161 7.655 7.321 14.872 1.00 0.00 WT2 ATOM 5986 H2 TIP3 4161 8.788 8.010 14.060 1.00 0.00 WT2 ATOM 5987 OH2 TIP3 4162 -5.040 5.093 29.673 1.00 0.00 WT2 ATOM 5988 H1 TIP3 4162 -4.748 5.963 30.058 1.00 0.00 WT2 ATOM 5989 H2 TIP3 4162 -4.682 4.398 30.305 1.00 0.00 WT2 ATOM 5990 OH2 TIP3 4163 2.545 -6.499 35.320 1.00 0.00 WT2 ATOM 5991 H1 TIP3 4163 2.703 -7.357 34.839 1.00 0.00 WT2 ATOM 5992 H2 TIP3 4163 3.472 -6.237 35.598 1.00 0.00 WT2 ATOM 5993 OH2 TIP3 4165 2.074 7.816 34.145 1.00 0.00 WT2 ATOM 5994 H1 TIP3 4165 2.523 8.012 34.946 1.00 0.00 WT2 ATOM 5995 H2 TIP3 4165 1.853 6.854 34.228 1.00 0.00 WT2 ATOM 5996 OH2 TIP3 4167 18.353 0.914 24.770 1.00 0.00 WT2 ATOM 5997 H1 TIP3 4167 17.487 0.555 24.999 1.00 0.00 WT2 ATOM 5998 H2 TIP3 4167 18.804 0.178 24.449 1.00 0.00 WT2 ATOM 5999 OH2 TIP3 4181 13.353 10.916 17.546 1.00 0.00 WT2 ATOM 6000 H1 TIP3 4181 12.509 11.446 17.807 1.00 0.00 WT2 ATOM 6001 H2 TIP3 4181 14.014 11.100 18.287 1.00 0.00 WT2 ATOM 6002 OH2 TIP3 4201 0.782 -7.920 28.860 1.00 0.00 WT2 ATOM 6003 H1 TIP3 4201 1.738 -7.866 28.675 1.00 0.00 WT2 ATOM 6004 H2 TIP3 4201 0.871 -7.946 29.837 1.00 0.00 WT2 ATOM 6005 OH2 TIP3 4219 -8.241 6.982 19.843 1.00 0.00 WT2 ATOM 6006 H1 TIP3 4219 -8.288 7.207 20.786 1.00 0.00 WT2 ATOM 6007 H2 TIP3 4219 -7.929 6.047 19.870 1.00 0.00 WT2 ATOM 6008 OH2 TIP3 4225 -0.026 14.404 27.392 1.00 0.00 WT2 ATOM 6009 H1 TIP3 4225 -0.343 13.469 27.469 1.00 0.00 WT2 ATOM 6010 H2 TIP3 4225 0.086 14.706 28.308 1.00 0.00 WT2 ATOM 6011 OH2 TIP3 4247 -11.045 0.956 11.387 1.00 0.00 WT2 ATOM 6012 H1 TIP3 4247 -10.162 0.595 11.280 1.00 0.00 WT2 ATOM 6013 H2 TIP3 4247 -11.518 0.484 12.100 1.00 0.00 WT2 ATOM 6014 OH2 TIP3 4273 -3.991 8.315 13.191 1.00 0.00 WT2 ATOM 6015 H1 TIP3 4273 -4.573 7.918 12.547 1.00 0.00 WT2 ATOM 6016 H2 TIP3 4273 -4.274 7.745 13.908 1.00 0.00 WT2 ATOM 6017 OH2 TIP3 4287 0.375 -11.208 28.881 1.00 0.00 WT2 ATOM 6018 H1 TIP3 4287 0.989 -11.527 29.621 1.00 0.00 WT2 ATOM 6019 H2 TIP3 4287 0.782 -10.358 28.728 1.00 0.00 WT2 ATOM 6020 OH2 TIP3 4394 3.090 -11.374 29.519 1.00 0.00 WT2 ATOM 6021 H1 TIP3 4394 3.625 -11.973 30.053 1.00 0.00 WT2 ATOM 6022 H2 TIP3 4394 3.889 -11.139 28.952 1.00 0.00 WT2 ATOM 6023 OH2 TIP3 4417 11.220 3.773 36.051 1.00 0.00 WT2 ATOM 6024 H1 TIP3 4417 12.038 3.904 35.452 1.00 0.00 WT2 ATOM 6025 H2 TIP3 4417 11.033 4.718 36.329 1.00 0.00 WT2 ATOM 6026 OH2 TIP3 4432 7.708 -7.087 7.933 1.00 0.00 WT2 ATOM 6027 H1 TIP3 4432 7.625 -6.405 8.547 1.00 0.00 WT2 ATOM 6028 H2 TIP3 4432 8.689 -7.318 8.107 1.00 0.00 WT2 ATOM 6029 OH2 TIP3 4437 9.797 -3.369 15.413 1.00 0.00 WT2 ATOM 6030 H1 TIP3 4437 9.933 -2.671 16.067 1.00 0.00 WT2 ATOM 6031 H2 TIP3 4437 8.928 -3.208 15.064 1.00 0.00 WT2 ATOM 6032 OH2 TIP3 4438 11.823 11.799 31.503 1.00 0.00 WT2 ATOM 6033 H1 TIP3 4438 12.102 11.356 32.333 1.00 0.00 WT2 ATOM 6034 H2 TIP3 4438 10.878 12.177 31.656 1.00 0.00 WT2 ATOM 6035 OH2 TIP3 4455 16.891 -5.165 8.679 1.00 0.00 WT2 ATOM 6036 H1 TIP3 4455 16.121 -5.766 8.684 1.00 0.00 WT2 ATOM 6037 H2 TIP3 4455 17.555 -5.812 8.918 1.00 0.00 WT2 ATOM 6038 OH2 TIP3 4457 16.884 4.013 20.492 1.00 0.00 WT2 ATOM 6039 H1 TIP3 4457 17.548 3.224 20.522 1.00 0.00 WT2 ATOM 6040 H2 TIP3 4457 17.280 4.615 21.191 1.00 0.00 WT2 ATOM 6041 OH2 TIP3 4474 4.843 11.502 12.094 1.00 0.00 WT2 ATOM 6042 H1 TIP3 4474 5.305 11.578 11.216 1.00 0.00 WT2 ATOM 6043 H2 TIP3 4474 4.686 10.500 12.218 1.00 0.00 WT2 ATOM 6044 OH2 TIP3 4479 5.185 -12.971 30.227 1.00 0.00 WT2 ATOM 6045 H1 TIP3 4479 5.840 -12.515 29.618 1.00 0.00 WT2 ATOM 6046 H2 TIP3 4479 5.764 -13.629 30.688 1.00 0.00 WT2 ATOM 6047 OH2 TIP3 4484 -3.237 -2.550 31.306 1.00 0.00 WT2 ATOM 6048 H1 TIP3 4484 -2.881 -3.460 31.133 1.00 0.00 WT2 ATOM 6049 H2 TIP3 4484 -2.906 -2.380 32.177 1.00 0.00 WT2 ATOM 6050 OH2 TIP3 4496 12.365 -1.423 28.309 1.00 0.00 WT2 ATOM 6051 H1 TIP3 4496 12.271 -1.598 27.378 1.00 0.00 WT2 ATOM 6052 H2 TIP3 4496 12.283 -2.245 28.827 1.00 0.00 WT2 ATOM 6053 OH2 TIP3 4497 -4.928 2.664 37.462 1.00 0.00 WT2 ATOM 6054 H1 TIP3 4497 -4.158 2.213 37.790 1.00 0.00 WT2 ATOM 6055 H2 TIP3 4497 -5.153 2.092 36.721 1.00 0.00 WT2 ATOM 6056 OH2 TIP3 4499 11.981 -8.208 27.139 1.00 0.00 WT2 ATOM 6057 H1 TIP3 4499 12.834 -7.956 26.714 1.00 0.00 WT2 ATOM 6058 H2 TIP3 4499 11.877 -7.559 27.891 1.00 0.00 WT2 ATOM 6059 OH2 TIP3 4501 11.105 -7.597 36.006 1.00 0.00 WT2 ATOM 6060 H1 TIP3 4501 10.817 -7.944 35.091 1.00 0.00 WT2 ATOM 6061 H2 TIP3 4501 10.980 -8.445 36.468 1.00 0.00 WT2 ATOM 6062 OH2 TIP3 4520 -11.990 -7.997 23.377 1.00 0.00 WT2 ATOM 6063 H1 TIP3 4520 -11.024 -8.114 23.599 1.00 0.00 WT2 ATOM 6064 H2 TIP3 4520 -12.230 -7.126 23.757 1.00 0.00 WT2 ATOM 6065 OH2 TIP3 4523 9.918 12.524 27.858 1.00 0.00 WT2 ATOM 6066 H1 TIP3 4523 10.441 11.750 27.948 1.00 0.00 WT2 ATOM 6067 H2 TIP3 4523 10.092 12.952 26.958 1.00 0.00 WT2 ATOM 6068 OH2 TIP3 4524 12.789 -5.871 34.785 1.00 0.00 WT2 ATOM 6069 H1 TIP3 4524 12.529 -6.429 35.566 1.00 0.00 WT2 ATOM 6070 H2 TIP3 4524 12.927 -5.002 35.148 1.00 0.00 WT2 ATOM 6071 OH2 TIP3 4536 15.213 -9.149 14.402 1.00 0.00 WT2 ATOM 6072 H1 TIP3 4536 14.286 -9.068 14.119 1.00 0.00 WT2 ATOM 6073 H2 TIP3 4536 15.169 -9.133 15.383 1.00 0.00 WT2 ATOM 6074 OH2 TIP3 4539 -3.035 4.248 36.227 1.00 0.00 WT2 ATOM 6075 H1 TIP3 4539 -2.641 3.600 36.820 1.00 0.00 WT2 ATOM 6076 H2 TIP3 4539 -3.923 3.932 36.263 1.00 0.00 WT2 ATOM 6077 OH2 TIP3 4540 9.231 9.839 25.701 1.00 0.00 WT2 ATOM 6078 H1 TIP3 4540 8.627 9.446 26.451 1.00 0.00 WT2 ATOM 6079 H2 TIP3 4540 8.597 9.871 24.898 1.00 0.00 WT2 ATOM 6080 OH2 TIP3 4558 8.705 -6.497 -1.079 1.00 0.00 WT2 ATOM 6081 H1 TIP3 4558 8.773 -6.612 -0.112 1.00 0.00 WT2 ATOM 6082 H2 TIP3 4558 9.347 -5.809 -1.307 1.00 0.00 WT2 ATOM 6083 OH2 TIP3 4559 -12.033 2.173 19.603 1.00 0.00 WT2 ATOM 6084 H1 TIP3 4559 -11.633 2.096 18.713 1.00 0.00 WT2 ATOM 6085 H2 TIP3 4559 -11.650 3.020 19.859 1.00 0.00 WT2 ATOM 6086 OH2 TIP3 4560 4.706 10.520 34.522 1.00 0.00 WT2 ATOM 6087 H1 TIP3 4560 5.333 11.264 34.444 1.00 0.00 WT2 ATOM 6088 H2 TIP3 4560 4.403 10.520 33.635 1.00 0.00 WT2 ATOM 6089 OH2 TIP3 4561 14.992 -4.246 3.754 1.00 0.00 WT2 ATOM 6090 H1 TIP3 4561 14.868 -4.255 4.728 1.00 0.00 WT2 ATOM 6091 H2 TIP3 4561 14.126 -3.829 3.493 1.00 0.00 WT2 ATOM 6092 OH2 TIP3 4562 11.743 1.204 27.182 1.00 0.00 WT2 ATOM 6093 H1 TIP3 4562 11.914 0.325 27.406 1.00 0.00 WT2 ATOM 6094 H2 TIP3 4562 11.629 1.552 28.082 1.00 0.00 WT2 ATOM 6095 OH2 TIP3 4564 -6.936 7.996 29.666 1.00 0.00 WT2 ATOM 6096 H1 TIP3 4564 -7.044 8.051 30.598 1.00 0.00 WT2 ATOM 6097 H2 TIP3 4564 -7.628 7.367 29.453 1.00 0.00 WT2 ATOM 6098 OH2 TIP3 4565 5.727 8.490 36.151 1.00 0.00 WT2 ATOM 6099 H1 TIP3 4565 5.265 9.225 35.606 1.00 0.00 WT2 ATOM 6100 H2 TIP3 4565 6.507 9.051 36.402 1.00 0.00 WT2 ATOM 6101 OH2 TIP3 4581 10.015 -10.368 27.758 1.00 0.00 WT2 ATOM 6102 H1 TIP3 4581 10.280 -11.034 27.034 1.00 0.00 WT2 ATOM 6103 H2 TIP3 4581 10.829 -9.855 27.846 1.00 0.00 WT2 ATOM 6104 OH2 TIP3 4588 9.186 2.383 37.006 1.00 0.00 WT2 ATOM 6105 H1 TIP3 4588 9.926 2.845 36.616 1.00 0.00 WT2 ATOM 6106 H2 TIP3 4588 8.506 2.298 36.337 1.00 0.00 WT2 ATOM 6107 OH2 TIP3 4599 16.333 -2.505 -2.170 1.00 0.00 WT2 ATOM 6108 H1 TIP3 4599 16.041 -1.582 -2.205 1.00 0.00 WT2 ATOM 6109 H2 TIP3 4599 15.621 -2.835 -2.775 1.00 0.00 WT2 ATOM 6110 OH2 TIP3 4605 3.568 4.676 37.598 1.00 0.00 WT2 ATOM 6111 H1 TIP3 4605 4.399 4.546 37.158 1.00 0.00 WT2 ATOM 6112 H2 TIP3 4605 3.021 3.810 37.252 1.00 0.00 WT2 ATOM 6113 OH2 TIP3 4606 9.039 8.090 31.862 1.00 0.00 WT2 ATOM 6114 H1 TIP3 4606 9.684 7.626 31.314 1.00 0.00 WT2 ATOM 6115 H2 TIP3 4606 8.819 8.905 31.274 1.00 0.00 WT2 ATOM 6116 OH2 TIP3 4624 13.099 -0.554 32.951 1.00 0.00 WT2 ATOM 6117 H1 TIP3 4624 12.728 -0.411 32.035 1.00 0.00 WT2 ATOM 6118 H2 TIP3 4624 13.547 0.347 33.041 1.00 0.00 WT2 ATOM 6119 OH2 TIP3 4626 0.050 -13.064 25.333 1.00 0.00 WT2 ATOM 6120 H1 TIP3 4626 -0.203 -13.118 26.306 1.00 0.00 WT2 ATOM 6121 H2 TIP3 4626 0.864 -12.470 25.538 1.00 0.00 WT2 ATOM 6122 OH2 TIP3 4627 19.799 1.980 17.578 1.00 0.00 WT2 ATOM 6123 H1 TIP3 4627 18.964 2.433 17.446 1.00 0.00 WT2 ATOM 6124 H2 TIP3 4627 19.890 2.113 18.526 1.00 0.00 WT2 ATOM 6125 OH2 TIP3 4628 11.910 -7.367 29.758 1.00 0.00 WT2 ATOM 6126 H1 TIP3 4628 12.364 -7.148 30.557 1.00 0.00 WT2 ATOM 6127 H2 TIP3 4628 11.103 -6.884 29.815 1.00 0.00 WT2 ATOM 6128 OH2 TIP3 4641 3.720 7.837 22.995 1.00 0.00 WT2 ATOM 6129 H1 TIP3 4641 3.299 6.920 22.946 1.00 0.00 WT2 ATOM 6130 H2 TIP3 4641 4.083 8.019 23.878 1.00 0.00 WT2 ATOM 6131 OH2 TIP3 4645 -10.812 1.836 17.239 1.00 0.00 WT2 ATOM 6132 H1 TIP3 4645 -11.294 1.166 16.782 1.00 0.00 WT2 ATOM 6133 H2 TIP3 4645 -9.874 1.898 16.961 1.00 0.00 WT2 ATOM 6134 OH2 TIP3 4685 15.160 3.559 25.312 1.00 0.00 WT2 ATOM 6135 H1 TIP3 4685 15.372 4.422 25.683 1.00 0.00 WT2 ATOM 6136 H2 TIP3 4685 15.080 3.115 26.115 1.00 0.00 WT2 ATOM 6137 OH2 TIP3 4706 -0.420 8.827 17.928 1.00 0.00 WT2 ATOM 6138 H1 TIP3 4706 -0.047 9.696 18.201 1.00 0.00 WT2 ATOM 6139 H2 TIP3 4706 -0.220 8.223 18.668 1.00 0.00 WT2 ATOM 6140 OH2 TIP3 4849 -7.493 -15.185 9.037 1.00 0.00 WT2 ATOM 6141 H1 TIP3 4849 -8.031 -14.792 9.746 1.00 0.00 WT2 ATOM 6142 H2 TIP3 4849 -7.501 -14.406 8.438 1.00 0.00 WT2 ATOM 6143 OH2 TIP3 4855 -0.609 -17.286 21.981 1.00 0.00 WT2 ATOM 6144 H1 TIP3 4855 -1.437 -17.800 22.157 1.00 0.00 WT2 ATOM 6145 H2 TIP3 4855 -0.716 -16.441 22.451 1.00 0.00 WT2 ATOM 6146 OH2 TIP3 4857 -5.733 -2.162 24.311 1.00 0.00 WT2 ATOM 6147 H1 TIP3 4857 -6.305 -1.384 24.148 1.00 0.00 WT2 ATOM 6148 H2 TIP3 4857 -5.652 -2.530 23.419 1.00 0.00 WT2 ATOM 6149 OH2 TIP3 4863 10.506 -8.555 33.610 1.00 0.00 WT2 ATOM 6150 H1 TIP3 4863 11.105 -8.754 32.830 1.00 0.00 WT2 ATOM 6151 H2 TIP3 4863 10.443 -9.381 34.003 1.00 0.00 WT2 ATOM 6152 OH2 TIP3 4897 14.563 -6.674 5.318 1.00 0.00 WT2 ATOM 6153 H1 TIP3 4897 14.286 -7.604 5.376 1.00 0.00 WT2 ATOM 6154 H2 TIP3 4897 14.177 -6.230 6.106 1.00 0.00 WT2 ATOM 6155 OH2 TIP3 4899 3.643 -11.982 10.549 1.00 0.00 WT2 ATOM 6156 H1 TIP3 4899 2.943 -11.476 10.156 1.00 0.00 WT2 ATOM 6157 H2 TIP3 4899 4.280 -12.108 9.775 1.00 0.00 WT2 ATOM 6158 OH2 TIP3 4916 8.639 -5.257 1.270 1.00 0.00 WT2 ATOM 6159 H1 TIP3 4916 9.592 -5.191 1.543 1.00 0.00 WT2 ATOM 6160 H2 TIP3 4916 8.492 -4.305 1.094 1.00 0.00 WT2 ATOM 6161 OH2 TIP3 4936 11.651 6.343 16.273 1.00 0.00 WT2 ATOM 6162 H1 TIP3 4936 11.531 7.305 16.330 1.00 0.00 WT2 ATOM 6163 H2 TIP3 4936 12.236 6.178 15.557 1.00 0.00 WT2 ATOM 6164 OH2 TIP3 4946 -1.366 4.352 38.873 1.00 0.00 WT2 ATOM 6165 H1 TIP3 4946 -1.872 4.975 39.384 1.00 0.00 WT2 ATOM 6166 H2 TIP3 4946 -0.732 4.929 38.379 1.00 0.00 WT2 ATOM 6167 OH2 TIP3 4963 14.431 -4.724 14.289 1.00 0.00 WT2 ATOM 6168 H1 TIP3 4963 13.622 -5.075 14.762 1.00 0.00 WT2 ATOM 6169 H2 TIP3 4963 14.822 -4.182 14.966 1.00 0.00 WT2 ATOM 6170 OH2 TIP3 4965 6.222 3.813 37.188 1.00 0.00 WT2 ATOM 6171 H1 TIP3 4965 6.687 3.578 36.352 1.00 0.00 WT2 ATOM 6172 H2 TIP3 4965 6.261 2.984 37.684 1.00 0.00 WT2 ATOM 6173 OH2 TIP3 4978 11.999 -4.809 23.849 1.00 0.00 WT2 ATOM 6174 H1 TIP3 4978 12.272 -5.670 23.498 1.00 0.00 WT2 ATOM 6175 H2 TIP3 4978 12.696 -4.183 23.661 1.00 0.00 WT2 ATOM 6176 OH2 TIP3 4979 14.756 7.678 29.222 1.00 0.00 WT2 ATOM 6177 H1 TIP3 4979 14.142 7.070 28.861 1.00 0.00 WT2 ATOM 6178 H2 TIP3 4979 14.103 8.341 29.588 1.00 0.00 WT2 ATOM 6179 OH2 TIP3 4980 12.313 5.914 6.831 1.00 0.00 WT2 ATOM 6180 H1 TIP3 4980 11.794 5.840 6.041 1.00 0.00 WT2 ATOM 6181 H2 TIP3 4980 12.319 6.833 6.915 1.00 0.00 WT2 ATOM 6182 OH2 TIP3 4983 8.358 -9.563 30.509 1.00 0.00 WT2 ATOM 6183 H1 TIP3 4983 9.314 -9.513 30.237 1.00 0.00 WT2 ATOM 6184 H2 TIP3 4983 8.396 -10.334 31.051 1.00 0.00 WT2 ATOM 6185 OH2 TIP3 5000 10.624 -7.967 24.418 1.00 0.00 WT2 ATOM 6186 H1 TIP3 5000 11.088 -7.849 25.258 1.00 0.00 WT2 ATOM 6187 H2 TIP3 5000 10.213 -7.075 24.290 1.00 0.00 WT2 ATOM 6188 OH2 TIP3 5005 12.983 -0.794 15.258 1.00 0.00 WT2 ATOM 6189 H1 TIP3 5005 12.811 0.214 15.228 1.00 0.00 WT2 ATOM 6190 H2 TIP3 5005 12.460 -1.042 14.447 1.00 0.00 WT2 ATOM 6191 OH2 TIP3 5006 12.104 -9.912 30.428 1.00 0.00 WT2 ATOM 6192 H1 TIP3 5006 11.887 -9.118 29.890 1.00 0.00 WT2 ATOM 6193 H2 TIP3 5006 13.032 -9.874 30.361 1.00 0.00 WT2 ATOM 6194 OH2 TIP3 5009 13.392 7.667 36.964 1.00 0.00 WT2 ATOM 6195 H1 TIP3 5009 12.425 7.462 36.871 1.00 0.00 WT2 ATOM 6196 H2 TIP3 5009 13.396 8.176 36.174 1.00 0.00 WT2 ATOM 6197 OH2 TIP3 5021 3.413 13.810 31.344 1.00 0.00 WT2 ATOM 6198 H1 TIP3 5021 4.313 14.078 31.109 1.00 0.00 WT2 ATOM 6199 H2 TIP3 5021 3.558 12.923 31.751 1.00 0.00 WT2 ATOM 6200 OH2 TIP3 5023 15.834 -4.294 20.437 1.00 0.00 WT2 ATOM 6201 H1 TIP3 5023 15.862 -5.322 20.535 1.00 0.00 WT2 ATOM 6202 H2 TIP3 5023 16.488 -4.116 21.159 1.00 0.00 WT2 ATOM 6203 OH2 TIP3 5043 -2.554 6.604 11.206 1.00 0.00 WT2 ATOM 6204 H1 TIP3 5043 -2.192 6.073 10.520 1.00 0.00 WT2 ATOM 6205 H2 TIP3 5043 -1.956 7.367 11.112 1.00 0.00 WT2 ATOM 6206 OH2 TIP3 5044 15.258 -0.939 28.257 1.00 0.00 WT2 ATOM 6207 H1 TIP3 5044 14.243 -0.973 28.293 1.00 0.00 WT2 ATOM 6208 H2 TIP3 5044 15.458 -0.348 28.977 1.00 0.00 WT2 ATOM 6209 OH2 TIP3 5046 2.820 13.052 18.529 1.00 0.00 WT2 ATOM 6210 H1 TIP3 5046 2.188 12.303 18.465 1.00 0.00 WT2 ATOM 6211 H2 TIP3 5046 2.562 13.515 17.674 1.00 0.00 WT2 ATOM 6212 OH2 TIP3 5049 -0.353 10.663 31.214 1.00 0.00 WT2 ATOM 6213 H1 TIP3 5049 0.290 10.020 31.477 1.00 0.00 WT2 ATOM 6214 H2 TIP3 5049 -0.303 10.569 30.229 1.00 0.00 WT2 ATOM 6215 OH2 TIP3 5061 10.011 -5.837 21.541 1.00 0.00 WT2 ATOM 6216 H1 TIP3 5061 10.107 -5.794 20.569 1.00 0.00 WT2 ATOM 6217 H2 TIP3 5061 9.128 -6.260 21.504 1.00 0.00 WT2 ATOM 6218 OH2 TIP3 5068 12.719 9.376 20.945 1.00 0.00 WT2 ATOM 6219 H1 TIP3 5068 12.481 8.955 21.803 1.00 0.00 WT2 ATOM 6220 H2 TIP3 5068 12.713 8.720 20.224 1.00 0.00 WT2 ATOM 6221 OH2 TIP3 5088 12.477 7.863 31.867 1.00 0.00 WT2 ATOM 6222 H1 TIP3 5088 11.927 7.448 31.145 1.00 0.00 WT2 ATOM 6223 H2 TIP3 5088 12.897 8.553 31.312 1.00 0.00 WT2 ATOM 6224 OH2 TIP3 5106 4.392 13.819 22.864 1.00 0.00 WT2 ATOM 6225 H1 TIP3 5106 4.186 14.182 23.748 1.00 0.00 WT2 ATOM 6226 H2 TIP3 5106 5.307 13.993 22.866 1.00 0.00 WT2 ATOM 6227 OH2 TIP3 5127 -3.855 10.355 19.473 1.00 0.00 WT2 ATOM 6228 H1 TIP3 5127 -3.804 9.368 19.395 1.00 0.00 WT2 ATOM 6229 H2 TIP3 5127 -4.785 10.423 19.758 1.00 0.00 WT2 ATOM 6230 OH2 TIP3 5164 10.773 6.970 26.814 1.00 0.00 WT2 ATOM 6231 H1 TIP3 5164 10.354 6.934 25.945 1.00 0.00 WT2 ATOM 6232 H2 TIP3 5164 10.273 7.679 27.111 1.00 0.00 WT2 ATOM 6233 OH2 TIP3 5251 12.999 11.454 11.482 1.00 0.00 WT2 ATOM 6234 H1 TIP3 5251 13.215 11.706 12.354 1.00 0.00 WT2 ATOM 6235 H2 TIP3 5251 12.131 11.986 11.519 1.00 0.00 WT2 ATOM 6236 OH2 TIP3 5318 11.626 -3.295 18.190 1.00 0.00 WT2 ATOM 6237 H1 TIP3 5318 11.021 -3.865 18.662 1.00 0.00 WT2 ATOM 6238 H2 TIP3 5318 12.164 -2.944 18.843 1.00 0.00 WT2 ATOM 6239 OH2 TIP3 5320 -8.160 -11.202 23.016 1.00 0.00 WT2 ATOM 6240 H1 TIP3 5320 -8.032 -11.171 22.089 1.00 0.00 WT2 ATOM 6241 H2 TIP3 5320 -7.811 -12.108 23.208 1.00 0.00 WT2 ATOM 6242 OH2 TIP3 5341 1.310 -13.328 15.247 1.00 0.00 WT2 ATOM 6243 H1 TIP3 5341 1.074 -12.518 15.793 1.00 0.00 WT2 ATOM 6244 H2 TIP3 5341 1.197 -14.073 15.896 1.00 0.00 WT2 ATOM 6245 OH2 TIP3 5358 14.287 -0.569 5.190 1.00 0.00 WT2 ATOM 6246 H1 TIP3 5358 14.352 -0.606 6.130 1.00 0.00 WT2 ATOM 6247 H2 TIP3 5358 13.949 -1.466 4.997 1.00 0.00 WT2 ATOM 6248 OH2 TIP3 5360 4.119 -12.117 24.636 1.00 0.00 WT2 ATOM 6249 H1 TIP3 5360 4.628 -11.290 24.818 1.00 0.00 WT2 ATOM 6250 H2 TIP3 5360 3.434 -12.145 25.320 1.00 0.00 WT2 ATOM 6251 OH2 TIP3 5378 -6.572 -6.466 29.221 1.00 0.00 WT2 ATOM 6252 H1 TIP3 5378 -5.694 -6.160 28.908 1.00 0.00 WT2 ATOM 6253 H2 TIP3 5378 -7.061 -5.628 29.322 1.00 0.00 WT2 ATOM 6254 OH2 TIP3 5381 16.073 0.925 3.598 1.00 0.00 WT2 ATOM 6255 H1 TIP3 5381 15.423 0.420 4.203 1.00 0.00 WT2 ATOM 6256 H2 TIP3 5381 16.748 0.839 4.243 1.00 0.00 WT2 ATOM 6257 OH2 TIP3 5384 10.141 -10.853 15.424 1.00 0.00 WT2 ATOM 6258 H1 TIP3 5384 9.280 -10.651 15.708 1.00 0.00 WT2 ATOM 6259 H2 TIP3 5384 10.230 -11.803 15.380 1.00 0.00 WT2 ATOM 6260 OH2 TIP3 5385 6.817 -10.436 34.811 1.00 0.00 WT2 ATOM 6261 H1 TIP3 5385 6.129 -10.558 34.098 1.00 0.00 WT2 ATOM 6262 H2 TIP3 5385 6.377 -9.786 35.329 1.00 0.00 WT2 ATOM 6263 OH2 TIP3 5396 8.965 -2.575 9.588 1.00 0.00 WT2 ATOM 6264 H1 TIP3 5396 8.173 -2.775 9.081 1.00 0.00 WT2 ATOM 6265 H2 TIP3 5396 8.874 -3.146 10.391 1.00 0.00 WT2 ATOM 6266 OH2 TIP3 5400 13.000 4.367 32.748 1.00 0.00 WT2 ATOM 6267 H1 TIP3 5400 12.037 4.682 32.583 1.00 0.00 WT2 ATOM 6268 H2 TIP3 5400 13.269 4.990 33.452 1.00 0.00 WT2 ATOM 6269 OH2 TIP3 5440 8.907 -3.977 18.968 1.00 0.00 WT2 ATOM 6270 H1 TIP3 5440 8.106 -3.918 19.449 1.00 0.00 WT2 ATOM 6271 H2 TIP3 5440 8.774 -3.128 18.535 1.00 0.00 WT2 ATOM 6272 OH2 TIP3 5443 5.317 -12.188 8.313 1.00 0.00 WT2 ATOM 6273 H1 TIP3 5443 5.959 -12.721 7.876 1.00 0.00 WT2 ATOM 6274 H2 TIP3 5443 5.636 -11.335 7.968 1.00 0.00 WT2 ATOM 6275 OH2 TIP3 5445 0.731 4.695 12.605 1.00 0.00 WT2 ATOM 6276 H1 TIP3 5445 0.964 4.118 11.838 1.00 0.00 WT2 ATOM 6277 H2 TIP3 5445 -0.276 4.548 12.717 1.00 0.00 WT2 ATOM 6278 OH2 TIP3 5446 13.920 -3.256 22.947 1.00 0.00 WT2 ATOM 6279 H1 TIP3 5446 14.430 -2.463 23.262 1.00 0.00 WT2 ATOM 6280 H2 TIP3 5446 13.625 -2.954 22.067 1.00 0.00 WT2 ATOM 6281 OH2 TIP3 5466 12.445 -7.128 22.174 1.00 0.00 WT2 ATOM 6282 H1 TIP3 5466 12.160 -8.032 22.366 1.00 0.00 WT2 ATOM 6283 H2 TIP3 5466 11.590 -6.753 21.886 1.00 0.00 WT2 ATOM 6284 OH2 TIP3 5484 12.484 8.629 34.556 1.00 0.00 WT2 ATOM 6285 H1 TIP3 5484 11.877 9.340 34.488 1.00 0.00 WT2 ATOM 6286 H2 TIP3 5484 12.447 8.301 33.628 1.00 0.00 WT2 ATOM 6287 OH2 TIP3 5485 9.585 -0.070 37.872 1.00 0.00 WT2 ATOM 6288 H1 TIP3 5485 9.498 0.900 37.824 1.00 0.00 WT2 ATOM 6289 H2 TIP3 5485 10.279 -0.336 37.238 1.00 0.00 WT2 ATOM 6290 OH2 TIP3 5505 15.634 -1.242 23.259 1.00 0.00 WT2 ATOM 6291 H1 TIP3 5505 15.833 -0.447 22.812 1.00 0.00 WT2 ATOM 6292 H2 TIP3 5505 15.694 -0.850 24.136 1.00 0.00 WT2 ATOM 6293 OH2 TIP3 5528 13.713 4.006 29.988 1.00 0.00 WT2 ATOM 6294 H1 TIP3 5528 13.585 4.153 30.910 1.00 0.00 WT2 ATOM 6295 H2 TIP3 5528 12.823 3.719 29.645 1.00 0.00 WT2 ATOM 6296 OH2 TIP3 5545 7.401 4.124 13.829 1.00 0.00 WT2 ATOM 6297 H1 TIP3 5545 7.966 4.867 14.062 1.00 0.00 WT2 ATOM 6298 H2 TIP3 5545 7.222 3.670 14.684 1.00 0.00 WT2 ATOM 6299 OH2 TIP3 5549 -1.839 1.805 35.909 1.00 0.00 WT2 ATOM 6300 H1 TIP3 5549 -1.637 1.842 36.898 1.00 0.00 WT2 ATOM 6301 H2 TIP3 5549 -1.395 0.941 35.598 1.00 0.00 WT2 ATOM 6302 OH2 TIP3 5550 15.686 3.370 35.039 1.00 0.00 WT2 ATOM 6303 H1 TIP3 5550 16.290 3.555 35.687 1.00 0.00 WT2 ATOM 6304 H2 TIP3 5550 15.178 4.209 34.965 1.00 0.00 WT2 ATOM 6305 OH2 TIP3 5566 17.091 -3.784 22.988 1.00 0.00 WT2 ATOM 6306 H1 TIP3 5566 16.374 -3.215 22.950 1.00 0.00 WT2 ATOM 6307 H2 TIP3 5566 16.679 -4.376 23.634 1.00 0.00 WT2 ATOM 6308 OH2 TIP3 5607 -9.038 -8.729 6.467 1.00 0.00 WT2 ATOM 6309 H1 TIP3 5607 -9.860 -9.295 6.327 1.00 0.00 WT2 ATOM 6310 H2 TIP3 5607 -9.444 -7.924 6.146 1.00 0.00 WT2 ATOM 6311 OH2 TIP3 5768 13.013 6.156 27.802 1.00 0.00 WT2 ATOM 6312 H1 TIP3 5768 13.189 5.530 28.509 1.00 0.00 WT2 ATOM 6313 H2 TIP3 5768 12.155 5.855 27.454 1.00 0.00 WT2 ATOM 6314 OH2 TIP3 5782 -1.078 0.824 24.591 1.00 0.00 WT2 ATOM 6315 H1 TIP3 5782 -1.235 0.953 23.621 1.00 0.00 WT2 ATOM 6316 H2 TIP3 5782 -0.660 1.692 24.798 1.00 0.00 WT2 ATOM 6317 OH2 TIP3 5795 16.324 -8.255 28.637 1.00 0.00 WT2 ATOM 6318 H1 TIP3 5795 17.165 -8.229 29.168 1.00 0.00 WT2 ATOM 6319 H2 TIP3 5795 16.403 -7.395 28.150 1.00 0.00 WT2 ATOM 6320 OH2 TIP3 5818 9.061 2.018 12.546 1.00 0.00 WT2 ATOM 6321 H1 TIP3 5818 9.816 2.632 12.331 1.00 0.00 WT2 ATOM 6322 H2 TIP3 5818 8.541 2.683 12.982 1.00 0.00 WT2 ATOM 6323 OH2 TIP3 5820 15.516 -0.067 19.999 1.00 0.00 WT2 ATOM 6324 H1 TIP3 5820 16.301 0.327 20.307 1.00 0.00 WT2 ATOM 6325 H2 TIP3 5820 14.966 0.660 20.156 1.00 0.00 WT2 ATOM 6326 OH2 TIP3 5821 12.636 -6.067 32.034 1.00 0.00 WT2 ATOM 6327 H1 TIP3 5821 12.849 -6.174 33.014 1.00 0.00 WT2 ATOM 6328 H2 TIP3 5821 13.167 -5.292 31.754 1.00 0.00 WT2 ATOM 6329 OH2 TIP3 5827 2.045 0.553 38.048 1.00 0.00 WT2 ATOM 6330 H1 TIP3 5827 2.497 1.374 37.795 1.00 0.00 WT2 ATOM 6331 H2 TIP3 5827 2.796 0.051 38.393 1.00 0.00 WT2 ATOM 6332 OH2 TIP3 5839 20.322 0.034 21.866 1.00 0.00 WT2 ATOM 6333 H1 TIP3 5839 20.035 -0.722 21.389 1.00 0.00 WT2 ATOM 6334 H2 TIP3 5839 20.349 -0.387 22.667 1.00 0.00 WT2 ATOM 6335 OH2 TIP3 5840 9.579 10.338 17.972 1.00 0.00 WT2 ATOM 6336 H1 TIP3 5840 9.802 11.294 17.938 1.00 0.00 WT2 ATOM 6337 H2 TIP3 5840 8.651 10.403 17.808 1.00 0.00 WT2 ATOM 6338 OH2 TIP3 5845 6.888 -4.492 36.779 1.00 0.00 WT2 ATOM 6339 H1 TIP3 5845 7.041 -3.613 37.065 1.00 0.00 WT2 ATOM 6340 H2 TIP3 5845 7.780 -4.791 36.600 1.00 0.00 WT2 ATOM 6341 OH2 TIP3 5846 13.022 -3.246 32.349 1.00 0.00 WT2 ATOM 6342 H1 TIP3 5846 12.954 -3.506 33.274 1.00 0.00 WT2 ATOM 6343 H2 TIP3 5846 12.902 -2.291 32.484 1.00 0.00 WT2 ATOM 6344 OH2 TIP3 5860 17.382 -7.598 10.631 1.00 0.00 WT2 ATOM 6345 H1 TIP3 5860 16.671 -7.371 11.334 1.00 0.00 WT2 ATOM 6346 H2 TIP3 5860 18.049 -8.089 11.180 1.00 0.00 WT2 ATOM 6347 OH2 TIP3 5861 11.786 -6.661 11.062 1.00 0.00 WT2 ATOM 6348 H1 TIP3 5861 11.920 -6.745 12.055 1.00 0.00 WT2 ATOM 6349 H2 TIP3 5861 10.942 -7.176 10.968 1.00 0.00 WT2 ATOM 6350 OH2 TIP3 5862 10.923 -7.090 8.038 1.00 0.00 WT2 ATOM 6351 H1 TIP3 5862 10.576 -7.603 8.778 1.00 0.00 WT2 ATOM 6352 H2 TIP3 5862 10.980 -7.798 7.407 1.00 0.00 WT2 ATOM 6353 OH2 TIP3 5865 -0.792 -0.773 38.564 1.00 0.00 WT2 ATOM 6354 H1 TIP3 5865 -0.703 -1.590 38.018 1.00 0.00 WT2 ATOM 6355 H2 TIP3 5865 0.148 -0.695 38.728 1.00 0.00 WT2 ATOM 6356 OH2 TIP3 5889 13.429 1.999 7.890 1.00 0.00 WT2 ATOM 6357 H1 TIP3 5889 14.079 1.751 8.502 1.00 0.00 WT2 ATOM 6358 H2 TIP3 5889 13.036 2.762 8.186 1.00 0.00 WT2 ATOM 6359 OH2 TIP3 5905 16.989 2.331 12.057 1.00 0.00 WT2 ATOM 6360 H1 TIP3 5905 17.824 2.326 12.551 1.00 0.00 WT2 ATOM 6361 H2 TIP3 5905 17.292 2.455 11.103 1.00 0.00 WT2 ATOM 6362 OH2 TIP3 5906 10.118 1.672 15.860 1.00 0.00 WT2 ATOM 6363 H1 TIP3 5906 10.863 2.214 15.540 1.00 0.00 WT2 ATOM 6364 H2 TIP3 5906 9.872 2.139 16.659 1.00 0.00 WT2 ATOM 6365 OH2 TIP3 5911 11.097 9.842 27.642 1.00 0.00 WT2 ATOM 6366 H1 TIP3 5911 10.588 9.852 26.769 1.00 0.00 WT2 ATOM 6367 H2 TIP3 5911 10.467 9.286 28.156 1.00 0.00 WT2 ATOM 6368 OH2 TIP3 5913 9.611 -10.920 34.875 1.00 0.00 WT2 ATOM 6369 H1 TIP3 5913 9.387 -11.848 35.133 1.00 0.00 WT2 ATOM 6370 H2 TIP3 5913 8.651 -10.564 34.902 1.00 0.00 WT2 ATOM 6371 OH2 TIP3 5920 13.237 7.464 10.039 1.00 0.00 WT2 ATOM 6372 H1 TIP3 5920 12.932 8.194 9.458 1.00 0.00 WT2 ATOM 6373 H2 TIP3 5920 13.634 7.981 10.719 1.00 0.00 WT2 ATOM 6374 OH2 TIP3 5945 5.346 11.244 23.717 1.00 0.00 WT2 ATOM 6375 H1 TIP3 5945 5.788 12.142 23.562 1.00 0.00 WT2 ATOM 6376 H2 TIP3 5945 4.425 11.466 23.777 1.00 0.00 WT2 ATOM 6377 OH2 TIP3 5989 -0.136 12.506 15.336 1.00 0.00 WT2 ATOM 6378 H1 TIP3 5989 -0.596 12.931 14.618 1.00 0.00 WT2 ATOM 6379 H2 TIP3 5989 -0.835 12.413 15.982 1.00 0.00 WT2 ATOM 6380 OH2 TIP3 6019 11.389 12.334 19.182 1.00 0.00 WT2 ATOM 6381 H1 TIP3 6019 11.075 13.110 19.665 1.00 0.00 WT2 ATOM 6382 H2 TIP3 6019 10.926 11.573 19.670 1.00 0.00 WT2 ATOM 6383 OH2 TIP3 6048 12.138 3.514 16.527 1.00 0.00 WT2 ATOM 6384 H1 TIP3 6048 12.514 4.406 16.774 1.00 0.00 WT2 ATOM 6385 H2 TIP3 6048 12.897 3.021 16.134 1.00 0.00 WT2 ATOM 6386 OH2 TIP3 6195 14.565 -1.195 7.815 1.00 0.00 WT2 ATOM 6387 H1 TIP3 6195 15.293 -1.544 8.293 1.00 0.00 WT2 ATOM 6388 H2 TIP3 6195 14.209 -0.608 8.459 1.00 0.00 WT2 ATOM 6389 OH2 TIP3 6220 12.103 -0.135 30.567 1.00 0.00 WT2 ATOM 6390 H1 TIP3 6220 11.603 0.714 30.369 1.00 0.00 WT2 ATOM 6391 H2 TIP3 6220 12.056 -0.523 29.651 1.00 0.00 WT2 ATOM 6392 OH2 TIP3 6241 9.426 -9.650 22.851 1.00 0.00 WT2 ATOM 6393 H1 TIP3 6241 8.408 -9.440 22.773 1.00 0.00 WT2 ATOM 6394 H2 TIP3 6241 9.814 -8.859 23.216 1.00 0.00 WT2 ATOM 6395 OH2 TIP3 6258 9.533 -5.448 24.222 1.00 0.00 WT2 ATOM 6396 H1 TIP3 6258 10.505 -5.302 24.174 1.00 0.00 WT2 ATOM 6397 H2 TIP3 6258 9.327 -5.241 23.301 1.00 0.00 WT2 ATOM 6398 OH2 TIP3 6263 13.791 4.697 10.915 1.00 0.00 WT2 ATOM 6399 H1 TIP3 6263 13.831 5.630 10.769 1.00 0.00 WT2 ATOM 6400 H2 TIP3 6263 14.624 4.547 11.435 1.00 0.00 WT2 ATOM 6401 OH2 TIP3 6269 12.727 7.502 18.858 1.00 0.00 WT2 ATOM 6402 H1 TIP3 6269 13.608 7.822 18.548 1.00 0.00 WT2 ATOM 6403 H2 TIP3 6269 12.792 6.629 18.443 1.00 0.00 WT2 ATOM 6404 OH2 TIP3 6309 7.938 8.904 34.209 1.00 0.00 WT2 ATOM 6405 H1 TIP3 6309 8.499 8.463 33.612 1.00 0.00 WT2 ATOM 6406 H2 TIP3 6309 7.125 8.421 34.086 1.00 0.00 WT2 ATOM 6407 OH2 TIP3 6321 14.085 6.968 25.129 1.00 0.00 WT2 ATOM 6408 H1 TIP3 6321 13.875 7.920 25.304 1.00 0.00 WT2 ATOM 6409 H2 TIP3 6321 13.759 6.572 26.008 1.00 0.00 WT2 ATOM 6410 OH2 TIP3 6347 15.840 -5.765 24.061 1.00 0.00 WT2 ATOM 6411 H1 TIP3 6347 15.100 -6.058 24.607 1.00 0.00 WT2 ATOM 6412 H2 TIP3 6347 15.491 -6.018 23.197 1.00 0.00 WT2 ATOM 6413 OH2 TIP3 6348 16.714 -1.784 13.525 1.00 0.00 WT2 ATOM 6414 H1 TIP3 6348 16.403 -2.556 13.001 1.00 0.00 WT2 ATOM 6415 H2 TIP3 6348 16.294 -2.010 14.440 1.00 0.00 WT2 ATOM 6416 OH2 TIP3 6381 15.552 -6.972 12.502 1.00 0.00 WT2 ATOM 6417 H1 TIP3 6381 15.054 -6.254 12.839 1.00 0.00 WT2 ATOM 6418 H2 TIP3 6381 15.520 -7.646 13.218 1.00 0.00 WT2 ATOM 6419 OH2 TIP3 6429 13.590 -6.207 18.138 1.00 0.00 WT2 ATOM 6420 H1 TIP3 6429 12.750 -6.279 18.598 1.00 0.00 WT2 ATOM 6421 H2 TIP3 6429 14.069 -6.947 18.553 1.00 0.00 WT2 ATOM 6422 OH2 TIP3 6499 10.816 6.756 30.030 1.00 0.00 WT2 ATOM 6423 H1 TIP3 6499 10.423 6.933 29.237 1.00 0.00 WT2 ATOM 6424 H2 TIP3 6499 11.029 5.841 29.896 1.00 0.00 WT2 ATOM 6425 OH2 TIP3 6603 14.841 -4.155 27.917 1.00 0.00 WT2 ATOM 6426 H1 TIP3 6603 15.111 -3.239 27.996 1.00 0.00 WT2 ATOM 6427 H2 TIP3 6603 14.110 -4.241 28.510 1.00 0.00 WT2 ATOM 6428 OH2 TIP3 6623 15.428 3.203 28.111 1.00 0.00 WT2 ATOM 6429 H1 TIP3 6623 14.862 3.646 28.784 1.00 0.00 WT2 ATOM 6430 H2 TIP3 6623 15.712 2.462 28.679 1.00 0.00 WT2 ATOM 6431 OH2 TIP3 6661 8.364 -2.615 5.576 1.00 0.00 WT2 ATOM 6432 H1 TIP3 6661 7.804 -2.852 4.807 1.00 0.00 WT2 ATOM 6433 H2 TIP3 6661 9.222 -2.938 5.275 1.00 0.00 WT2 ATOM 6434 OH2 TIP3 6681 10.825 -3.012 7.569 1.00 0.00 WT2 ATOM 6435 H1 TIP3 6681 11.357 -3.678 7.975 1.00 0.00 WT2 ATOM 6436 H2 TIP3 6681 10.202 -2.846 8.354 1.00 0.00 WT2 ATOM 6437 OH2 TIP3 6684 5.406 -6.561 35.368 1.00 0.00 WT2 ATOM 6438 H1 TIP3 6684 5.948 -5.921 35.797 1.00 0.00 WT2 ATOM 6439 H2 TIP3 6684 6.044 -6.792 34.700 1.00 0.00 WT2 ATOM 6440 OH2 TIP3 6703 13.573 -2.089 20.132 1.00 0.00 WT2 ATOM 6441 H1 TIP3 6703 13.904 -1.153 19.881 1.00 0.00 WT2 ATOM 6442 H2 TIP3 6703 14.396 -2.570 20.054 1.00 0.00 WT2 ATOM 6443 OH2 TIP3 6705 1.836 -4.111 34.597 1.00 0.00 WT2 ATOM 6444 H1 TIP3 6705 2.814 -3.889 34.807 1.00 0.00 WT2 ATOM 6445 H2 TIP3 6705 1.894 -5.048 34.852 1.00 0.00 WT2 ATOM 6446 OH2 TIP3 6726 -10.814 5.012 21.449 1.00 0.00 WT2 ATOM 6447 H1 TIP3 6726 -10.443 5.251 22.325 1.00 0.00 WT2 ATOM 6448 H2 TIP3 6726 -11.700 4.820 21.726 1.00 0.00 WT2 ATOM 6449 OH2 TIP3 6813 11.091 -12.247 26.091 1.00 0.00 WT2 ATOM 6450 H1 TIP3 6813 11.032 -13.036 25.482 1.00 0.00 WT2 ATOM 6451 H2 TIP3 6813 11.341 -12.661 26.916 1.00 0.00 WT2 ATOM 6452 OH2 TIP3 6834 9.068 12.841 16.806 1.00 0.00 WT2 ATOM 6453 H1 TIP3 6834 9.614 13.472 16.424 1.00 0.00 WT2 ATOM 6454 H2 TIP3 6834 8.538 13.330 17.446 1.00 0.00 WT2 ATOM 6455 OH2 TIP3 6855 4.514 -3.485 34.837 1.00 0.00 WT2 ATOM 6456 H1 TIP3 6855 5.279 -3.634 35.384 1.00 0.00 WT2 ATOM 6457 H2 TIP3 6855 4.208 -2.752 35.378 1.00 0.00 WT2 ATOM 6458 OH2 TIP3 6867 -3.018 8.027 16.915 1.00 0.00 WT2 ATOM 6459 H1 TIP3 6867 -2.087 8.298 16.958 1.00 0.00 WT2 ATOM 6460 H2 TIP3 6867 -3.230 7.885 17.795 1.00 0.00 WT2 ATOM 6461 OH2 TIP3 7041 15.183 -2.177 15.770 1.00 0.00 WT2 ATOM 6462 H1 TIP3 7041 14.366 -1.604 15.572 1.00 0.00 WT2 ATOM 6463 H2 TIP3 7041 14.963 -2.674 16.629 1.00 0.00 WT2 ATOM 6464 OH2 TIP3 7052 19.271 -1.784 24.228 1.00 0.00 WT2 ATOM 6465 H1 TIP3 7052 18.568 -2.361 23.916 1.00 0.00 WT2 ATOM 6466 H2 TIP3 7052 19.548 -2.194 25.037 1.00 0.00 WT2 ATOM 6467 OH2 TIP3 7062 0.661 12.325 35.504 1.00 0.00 WT2 ATOM 6468 H1 TIP3 7062 0.315 12.942 34.840 1.00 0.00 WT2 ATOM 6469 H2 TIP3 7062 0.869 12.831 36.267 1.00 0.00 WT2 ATOM 6470 OH2 TIP3 7078 4.617 4.155 17.334 1.00 0.00 WT2 ATOM 6471 H1 TIP3 7078 5.537 4.364 17.246 1.00 0.00 WT2 ATOM 6472 H2 TIP3 7078 4.692 3.162 17.323 1.00 0.00 WT2 ATOM 6473 OH2 TIP3 7123 10.158 -11.745 7.014 1.00 0.00 WT2 ATOM 6474 H1 TIP3 7123 10.756 -12.099 6.254 1.00 0.00 WT2 ATOM 6475 H2 TIP3 7123 10.676 -11.643 7.871 1.00 0.00 WT2 ATOM 6476 OH2 TIP3 7147 14.197 2.176 20.154 1.00 0.00 WT2 ATOM 6477 H1 TIP3 7147 14.371 3.127 19.922 1.00 0.00 WT2 ATOM 6478 H2 TIP3 7147 13.269 2.140 19.892 1.00 0.00 WT2 ATOM 6479 OH2 TIP3 7252 -7.633 2.159 27.770 1.00 0.00 WT2 ATOM 6480 H1 TIP3 7252 -6.931 1.919 28.391 1.00 0.00 WT2 ATOM 6481 H2 TIP3 7252 -7.648 3.135 27.764 1.00 0.00 WT2 ATOM 6482 OH2 TIP3 7374 13.718 8.857 12.279 1.00 0.00 WT2 ATOM 6483 H1 TIP3 7374 13.336 9.763 12.351 1.00 0.00 WT2 ATOM 6484 H2 TIP3 7374 14.272 8.977 13.048 1.00 0.00 WT2 ATOM 6485 OH2 TIP3 7567 12.026 -12.425 28.790 1.00 0.00 WT2 ATOM 6486 H1 TIP3 7567 11.937 -11.574 29.241 1.00 0.00 WT2 ATOM 6487 H2 TIP3 7567 12.973 -12.684 28.961 1.00 0.00 WT2 ATOM 6488 OH2 TIP3 7643 11.275 -6.958 13.880 1.00 0.00 WT2 ATOM 6489 H1 TIP3 7643 11.461 -7.837 14.184 1.00 0.00 WT2 ATOM 6490 H2 TIP3 7643 11.361 -6.354 14.647 1.00 0.00 WT2 ATOM 6491 OH2 TIP3 7690 8.449 -0.281 15.557 1.00 0.00 WT2 ATOM 6492 H1 TIP3 7690 7.706 0.397 15.557 1.00 0.00 WT2 ATOM 6493 H2 TIP3 7690 9.188 0.359 15.372 1.00 0.00 WT2 ATOM 6494 OH2 TIP3 7964 9.093 -6.090 33.085 1.00 0.00 WT2 ATOM 6495 H1 TIP3 7964 9.996 -5.656 33.142 1.00 0.00 WT2 ATOM 6496 H2 TIP3 7964 9.428 -7.036 32.974 1.00 0.00 WT2 ATOM 6497 OH2 TIP3 8070 13.399 -6.854 -0.806 1.00 0.00 WT2 ATOM 6498 H1 TIP3 8070 12.989 -6.604 -1.690 1.00 0.00 WT2 ATOM 6499 H2 TIP3 8070 14.402 -6.619 -0.891 1.00 0.00 WT2 ATOM 6500 OH2 TIP3 8403 -9.833 -4.911 6.383 1.00 0.00 WT2 ATOM 6501 H1 TIP3 8403 -9.516 -4.218 5.858 1.00 0.00 WT2 ATOM 6502 H2 TIP3 8403 -8.977 -5.113 6.896 1.00 0.00 WT2 ATOM 6503 OH2 TIP3 8462 12.023 -4.149 9.940 1.00 0.00 WT2 ATOM 6504 H1 TIP3 8462 11.985 -4.915 10.543 1.00 0.00 WT2 ATOM 6505 H2 TIP3 8462 12.148 -4.620 9.105 1.00 0.00 WT2 ATOM 6506 OH2 TIP3 8491 -6.578 0.690 18.043 1.00 0.00 WT2 ATOM 6507 H1 TIP3 8491 -6.617 0.043 18.833 1.00 0.00 WT2 ATOM 6508 H2 TIP3 8491 -5.849 1.283 18.294 1.00 0.00 WT2 ATOM 6509 OH2 TIP3 8528 -3.664 -12.195 24.006 1.00 0.00 WT2 ATOM 6510 H1 TIP3 8528 -4.571 -11.754 24.057 1.00 0.00 WT2 ATOM 6511 H2 TIP3 8528 -3.144 -11.698 24.652 1.00 0.00 WT2 ATOM 6512 OH2 TIP3 8548 -7.224 -7.898 17.964 1.00 0.00 WT2 ATOM 6513 H1 TIP3 8548 -6.428 -8.345 18.316 1.00 0.00 WT2 ATOM 6514 H2 TIP3 8548 -7.037 -7.950 17.043 1.00 0.00 WT2 ATOM 6515 OH2 TIP3 8632 -3.493 -0.110 11.382 1.00 0.00 WT2 ATOM 6516 H1 TIP3 8632 -3.107 -0.989 11.220 1.00 0.00 WT2 ATOM 6517 H2 TIP3 8632 -2.705 0.411 11.685 1.00 0.00 WT2 ATOM 6518 OH2 TIP3 8760 -9.689 7.976 10.039 1.00 0.00 WT2 ATOM 6519 H1 TIP3 8760 -8.825 8.150 10.392 1.00 0.00 WT2 ATOM 6520 H2 TIP3 8760 -9.769 8.721 9.472 1.00 0.00 WT2 ATOM 6521 OH2 TIP3 8801 -1.765 -14.894 14.055 1.00 0.00 WT2 ATOM 6522 H1 TIP3 8801 -1.852 -15.047 13.141 1.00 0.00 WT2 ATOM 6523 H2 TIP3 8801 -0.901 -14.474 13.988 1.00 0.00 WT2 ATOM 6524 OH2 TIP3 8865 -8.062 -13.503 14.346 1.00 0.00 WT2 ATOM 6525 H1 TIP3 8865 -7.193 -13.442 14.676 1.00 0.00 WT2 ATOM 6526 H2 TIP3 8865 -7.833 -13.284 13.388 1.00 0.00 WT2 ATOM 6527 OH2 TIP3 8886 16.179 -2.754 9.581 1.00 0.00 WT2 ATOM 6528 H1 TIP3 8886 16.601 -3.583 9.189 1.00 0.00 WT2 ATOM 6529 H2 TIP3 8886 15.804 -3.165 10.376 1.00 0.00 WT2 ATOM 6530 OH2 TIP3 8887 -9.288 -4.300 20.138 1.00 0.00 WT2 ATOM 6531 H1 TIP3 8887 -9.257 -5.195 20.544 1.00 0.00 WT2 ATOM 6532 H2 TIP3 8887 -8.718 -3.728 20.703 1.00 0.00 WT2 ATOM 6533 OH2 TIP3 8905 0.296 -12.751 22.612 1.00 0.00 WT2 ATOM 6534 H1 TIP3 8905 -0.025 -13.645 22.429 1.00 0.00 WT2 ATOM 6535 H2 TIP3 8905 0.352 -12.800 23.598 1.00 0.00 WT2 ATOM 6536 OH2 TIP3 8908 9.442 7.175 24.419 1.00 0.00 WT2 ATOM 6537 H1 TIP3 8908 8.886 7.914 24.608 1.00 0.00 WT2 ATOM 6538 H2 TIP3 8908 8.876 6.859 23.682 1.00 0.00 WT2 ATOM 6539 OH2 TIP3 8926 -12.161 -3.864 4.049 1.00 0.00 WT2 ATOM 6540 H1 TIP3 8926 -11.606 -3.576 3.303 1.00 0.00 WT2 ATOM 6541 H2 TIP3 8926 -11.583 -4.630 4.279 1.00 0.00 WT2 ATOM 6542 OH2 TIP3 8932 0.720 -14.293 12.712 1.00 0.00 WT2 ATOM 6543 H1 TIP3 8932 1.032 -13.856 13.529 1.00 0.00 WT2 ATOM 6544 H2 TIP3 8932 1.159 -15.188 12.834 1.00 0.00 WT2 ATOM 6545 OH2 TIP3 8949 -4.973 -19.255 7.860 1.00 0.00 WT2 ATOM 6546 H1 TIP3 8949 -5.873 -19.617 8.012 1.00 0.00 WT2 ATOM 6547 H2 TIP3 8949 -5.111 -18.304 7.920 1.00 0.00 WT2 ATOM 6548 OH2 TIP3 8976 0.458 8.843 15.100 1.00 0.00 WT2 ATOM 6549 H1 TIP3 8976 -0.007 9.150 15.880 1.00 0.00 WT2 ATOM 6550 H2 TIP3 8976 1.012 8.171 15.453 1.00 0.00 WT2 ATOM 6551 OH2 TIP3 9034 -10.977 9.822 16.833 1.00 0.00 WT2 ATOM 6552 H1 TIP3 9034 -10.167 9.460 16.393 1.00 0.00 WT2 ATOM 6553 H2 TIP3 9034 -10.791 9.729 17.759 1.00 0.00 WT2 END