REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1621.63, 79.8658, 87.8658, 46.7363, 418.137, -265.998, -1988.93, 0.692836, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.243912E-03,0.457684,1.29388,42.5909,2.601783E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 11, 0 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:47 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.271 36.072 -3.072 1.00 12.44 ATOM 2 CB MET 1 2.965 36.729 -4.647 1.00 1.42 ATOM 3 HB1 MET 1 2.369 37.320 -3.967 1.00 37.62 ATOM 4 HB2 MET 1 2.503 35.757 -4.757 1.00 4.02 ATOM 5 CG MET 1 2.958 37.420 -6.008 1.00 32.11 ATOM 6 HG1 MET 1 3.497 36.802 -6.713 1.00 37.62 ATOM 7 HG2 MET 1 3.458 38.373 -5.916 1.00 30.54 ATOM 8 SD MET 1 1.292 37.704 -6.643 1.00 73.13 ATOM 9 CE MET 1 1.654 38.477 -8.223 1.00 53.22 ATOM 10 HE1 MET 1 0.730 38.700 -8.736 1.00 12.22 ATOM 11 HE2 MET 1 2.246 37.804 -8.827 1.00 4.24 ATOM 12 HE3 MET 1 2.204 39.392 -8.060 1.00 51.25 ATOM 13 C MET 1 5.224 35.649 -4.941 1.00 70.42 ATOM 14 O MET 1 5.887 36.132 -5.860 1.00 3.50 ATOM 15 N MET 1 5.013 37.873 -3.832 1.00 22.44 ATOM 16 HT1 MET 1 5.935 37.754 -3.369 1.00 37.62 ATOM 17 HT2 MET 1 4.414 38.474 -3.231 1.00 37.62 ATOM 18 HT3 MET 1 5.156 38.349 -4.745 1.00 37.62 ATOM 19 CA MET 1 4.367 36.548 -4.039 1.00 23.34 ATOM 20 N GLY 2 5.221 34.347 -4.662 1.00 41.24 ATOM 21 HN GLY 2 4.710 34.021 -3.890 1.00 37.62 ATOM 22 CA GLY 2 5.964 33.397 -5.481 1.00 62.04 ATOM 23 HA1 GLY 2 6.249 32.557 -4.863 1.00 37.62 ATOM 24 HA2 GLY 2 6.861 33.874 -5.852 1.00 51.43 ATOM 25 C GLY 2 5.148 32.880 -6.663 1.00 14.00 ATOM 26 O GLY 2 3.959 32.596 -6.527 1.00 15.53 ATOM 27 N HIS 3 5.784 32.746 -7.826 1.00 13.13 ATOM 28 HN HIS 3 6.741 32.966 -7.872 1.00 37.62 ATOM 29 CA HIS 3 5.096 32.284 -9.040 1.00 12.20 ATOM 30 HA HIS 3 4.088 32.677 -9.013 1.00 51.52 ATOM 31 CB HIS 3 5.800 32.839 -10.287 1.00 2.05 ATOM 32 HB1 HIS 3 5.286 32.486 -11.171 1.00 37.62 ATOM 33 HB2 HIS 3 6.821 32.486 -10.304 1.00 43.14 ATOM 34 CG HIS 3 5.828 34.338 -10.333 1.00 5.51 ATOM 35 ND1 HIS 3 6.966 35.066 -10.597 1.00 22.44 ATOM 36 HD1 HIS 3 7.856 34.694 -10.786 1.00 40.25 ATOM 37 CD2 HIS 3 4.844 35.251 -10.139 1.00 24.44 ATOM 38 HD2 HIS 3 3.808 35.039 -9.915 1.00 21.33 ATOM 39 CE1 HIS 3 6.686 36.351 -10.563 1.00 72.14 ATOM 40 HE1 HIS 3 7.387 37.153 -10.733 1.00 15.22 ATOM 41 NE2 HIS 3 5.406 36.495 -10.287 1.00 35.25 ATOM 42 HE2 HIS 3 4.996 37.334 -9.980 1.00 37.62 ATOM 43 C HIS 3 5.010 30.748 -9.102 1.00 42.12 ATOM 44 O HIS 3 4.679 30.176 -10.139 1.00 1.41 ATOM 45 N HIS 4 5.312 30.089 -7.984 1.00 23.12 ATOM 46 HN HIS 4 5.640 30.596 -7.213 1.00 37.62 ATOM 47 CA HIS 4 5.164 28.631 -7.858 1.00 0.54 ATOM 48 HA HIS 4 4.446 28.306 -8.601 1.00 64.24 ATOM 49 CB HIS 4 6.503 27.916 -8.109 1.00 53.44 ATOM 50 HB1 HIS 4 6.409 26.874 -7.827 1.00 37.62 ATOM 51 HB2 HIS 4 7.268 28.375 -7.502 1.00 24.14 ATOM 52 CG HIS 4 6.958 27.965 -9.538 1.00 13.00 ATOM 53 ND1 HIS 4 6.581 27.033 -10.481 1.00 1.22 ATOM 54 HD1 HIS 4 6.001 26.255 -10.321 1.00 24.51 ATOM 55 CD2 HIS 4 7.762 28.842 -10.185 1.00 3.14 ATOM 56 HD2 HIS 4 8.241 29.711 -9.755 1.00 10.15 ATOM 57 CE1 HIS 4 7.134 27.331 -11.639 1.00 13.04 ATOM 58 HE1 HIS 4 7.011 26.777 -12.559 1.00 62.44 ATOM 59 NE2 HIS 4 7.854 28.423 -11.489 1.00 50.21 ATOM 60 HE2 HIS 4 8.504 28.757 -12.144 1.00 37.62 ATOM 61 C HIS 4 4.625 28.264 -6.466 1.00 63.11 ATOM 62 O HIS 4 4.976 28.895 -5.469 1.00 25.41 ATOM 63 N HIS 5 3.773 27.244 -6.404 1.00 22.10 ATOM 64 HN HIS 5 3.548 26.760 -7.227 1.00 37.62 ATOM 65 CA HIS 5 3.163 26.818 -5.141 1.00 11.01 ATOM 66 HA HIS 5 2.959 27.706 -4.557 1.00 24.31 ATOM 67 CB HIS 5 1.836 26.097 -5.417 1.00 52.21 ATOM 68 HB1 HIS 5 2.034 25.197 -5.981 1.00 37.62 ATOM 69 HB2 HIS 5 1.197 26.744 -5.999 1.00 45.21 ATOM 70 CG HIS 5 1.087 25.711 -4.178 1.00 71.23 ATOM 71 ND1 HIS 5 0.186 26.544 -3.551 1.00 44.43 ATOM 72 HD1 HIS 5 -0.046 27.453 -3.836 1.00 34.32 ATOM 73 CD2 HIS 5 1.102 24.568 -3.451 1.00 25.40 ATOM 74 HD2 HIS 5 1.697 23.688 -3.652 1.00 43.13 ATOM 75 CE1 HIS 5 -0.318 25.936 -2.498 1.00 42.11 ATOM 76 HE1 HIS 5 -1.046 26.350 -1.817 1.00 5.11 ATOM 77 NE2 HIS 5 0.221 24.738 -2.416 1.00 41.33 ATOM 78 HE2 HIS 5 -0.064 24.037 -1.795 1.00 37.62 ATOM 79 C HIS 5 4.109 25.908 -4.340 1.00 32.04 ATOM 80 O HIS 5 4.281 24.730 -4.661 1.00 41.33 ATOM 81 N HIS 6 4.721 26.458 -3.294 1.00 23.43 ATOM 82 HN HIS 6 4.552 27.403 -3.086 1.00 37.62 ATOM 83 CA HIS 6 5.631 25.685 -2.442 1.00 11.44 ATOM 84 HA HIS 6 6.187 25.015 -3.086 1.00 65.33 ATOM 85 CB HIS 6 6.621 26.619 -1.735 1.00 62.40 ATOM 86 HB1 HIS 6 7.237 26.041 -1.059 1.00 37.62 ATOM 87 HB2 HIS 6 6.074 27.362 -1.172 1.00 23.22 ATOM 88 CG HIS 6 7.530 27.338 -2.690 1.00 12.32 ATOM 89 ND1 HIS 6 8.851 26.991 -2.885 1.00 4.44 ATOM 90 HD1 HIS 6 9.333 26.271 -2.420 1.00 23.30 ATOM 91 CD2 HIS 6 7.299 28.386 -3.517 1.00 40.43 ATOM 92 HD2 HIS 6 6.367 28.921 -3.630 1.00 11.33 ATOM 93 CE1 HIS 6 9.388 27.787 -3.785 1.00 13.43 ATOM 94 HE1 HIS 6 10.409 27.746 -4.135 1.00 0.22 ATOM 95 NE2 HIS 6 8.470 28.641 -4.185 1.00 60.44 ATOM 96 HE2 HIS 6 8.638 29.419 -4.761 1.00 37.62 ATOM 97 C HIS 6 4.850 24.833 -1.427 1.00 64.22 ATOM 98 O HIS 6 3.624 24.933 -1.333 1.00 2.03 ATOM 99 N HIS 7 5.567 23.990 -0.681 1.00 0.11 ATOM 100 HN HIS 7 6.546 24.035 -0.726 1.00 37.62 ATOM 101 CA HIS 7 4.941 23.000 0.211 1.00 41.35 ATOM 102 HA HIS 7 5.738 22.401 0.633 1.00 32.43 ATOM 103 CB HIS 7 4.186 23.700 1.357 1.00 54.12 ATOM 104 HB1 HIS 7 3.422 24.338 0.937 1.00 37.62 ATOM 105 HB2 HIS 7 4.880 24.307 1.920 1.00 34.55 ATOM 106 CG HIS 7 3.522 22.758 2.318 1.00 62.42 ATOM 107 ND1 HIS 7 4.176 21.702 2.912 1.00 4.45 ATOM 108 HD1 HIS 7 5.123 21.473 2.795 1.00 31.22 ATOM 109 CD2 HIS 7 2.242 22.691 2.754 1.00 72.54 ATOM 110 HD2 HIS 7 1.441 23.369 2.495 1.00 43.11 ATOM 111 CE1 HIS 7 3.332 21.029 3.664 1.00 10.33 ATOM 112 HE1 HIS 7 3.568 20.149 4.244 1.00 60.21 ATOM 113 NE2 HIS 7 2.151 21.605 3.588 1.00 34.31 ATOM 114 HE2 HIS 7 1.307 21.177 3.862 1.00 37.62 ATOM 115 C HIS 7 4.007 22.066 -0.589 1.00 63.44 ATOM 116 O HIS 7 2.977 21.601 -0.095 1.00 32.20 ATOM 117 N HIS 8 4.390 21.782 -1.832 1.00 23.52 ATOM 118 HN HIS 8 5.219 22.183 -2.172 1.00 37.62 ATOM 119 CA HIS 8 3.604 20.900 -2.706 1.00 13.43 ATOM 120 HA HIS 8 2.562 21.152 -2.555 1.00 23.32 ATOM 121 CB HIS 8 3.950 21.158 -4.187 1.00 54.30 ATOM 122 HB1 HIS 8 3.463 22.070 -4.503 1.00 37.62 ATOM 123 HB2 HIS 8 3.575 20.340 -4.785 1.00 72.32 ATOM 124 CG HIS 8 5.420 21.297 -4.478 1.00 53.44 ATOM 125 ND1 HIS 8 5.970 22.436 -5.025 1.00 0.45 ATOM 126 HD1 HIS 8 5.478 23.256 -5.268 1.00 53.54 ATOM 127 CD2 HIS 8 6.453 20.434 -4.310 1.00 10.14 ATOM 128 HD2 HIS 8 6.395 19.436 -3.898 1.00 72.23 ATOM 129 CE1 HIS 8 7.267 22.269 -5.182 1.00 31.21 ATOM 130 HE1 HIS 8 7.952 22.996 -5.590 1.00 52.33 ATOM 131 NE2 HIS 8 7.587 21.065 -4.758 1.00 50.43 ATOM 132 HE2 HIS 8 8.506 20.759 -4.589 1.00 37.62 ATOM 133 C HIS 8 3.786 19.413 -2.339 1.00 11.03 ATOM 134 O HIS 8 4.402 18.641 -3.077 1.00 54.53 ATOM 135 N SER 9 3.244 19.027 -1.185 1.00 1.23 ATOM 136 HN SER 9 2.762 19.692 -0.644 1.00 37.62 ATOM 137 CA SER 9 3.342 17.644 -0.688 1.00 23.33 ATOM 138 HA SER 9 3.029 16.981 -1.484 1.00 55.05 ATOM 139 CB SER 9 4.790 17.308 -0.299 1.00 3.22 ATOM 140 HB1 SER 9 5.150 18.043 0.407 1.00 37.62 ATOM 141 HB2 SER 9 5.411 17.328 -1.182 1.00 20.24 ATOM 142 OG SER 9 4.884 16.020 0.296 1.00 12.40 ATOM 143 HG SER 9 5.426 15.447 -0.266 1.00 23.32 ATOM 144 C SER 9 2.431 17.421 0.523 1.00 63.41 ATOM 145 O SER 9 1.892 18.372 1.091 1.00 52.21 ATOM 146 N HIS 10 2.253 16.160 0.911 1.00 72.24 ATOM 147 HN HIS 10 2.649 15.438 0.375 1.00 37.62 ATOM 148 CA HIS 10 1.488 15.821 2.118 1.00 22.02 ATOM 149 HA HIS 10 1.266 16.746 2.634 1.00 13.31 ATOM 150 CB HIS 10 0.159 15.128 1.764 1.00 1.41 ATOM 151 HB1 HIS 10 -0.401 15.767 1.095 1.00 37.62 ATOM 152 HB2 HIS 10 -0.411 14.987 2.670 1.00 4.31 ATOM 153 CG HIS 10 0.301 13.787 1.109 1.00 23.54 ATOM 154 ND1 HIS 10 0.668 12.653 1.799 1.00 44.51 ATOM 155 HD1 HIS 10 0.892 12.610 2.755 1.00 12.45 ATOM 156 CD2 HIS 10 0.097 13.392 -0.172 1.00 4.51 ATOM 157 HD2 HIS 10 -0.198 14.023 -1.001 1.00 4.24 ATOM 158 CE1 HIS 10 0.684 11.624 0.978 1.00 32.30 ATOM 159 HE1 HIS 10 0.935 10.608 1.245 1.00 43.24 ATOM 160 NE2 HIS 10 0.345 12.042 -0.223 1.00 72.32 ATOM 161 HE2 HIS 10 0.066 11.449 -0.958 1.00 37.62 ATOM 162 C HIS 10 2.313 14.942 3.068 1.00 55.20 ATOM 163 O HIS 10 1.759 14.211 3.890 1.00 70.42 ATOM 164 N MET 11 3.639 15.014 2.947 1.00 44.40 ATOM 165 HN MET 11 4.021 15.548 2.217 1.00 37.62 ATOM 166 CA MET 11 4.538 14.303 3.865 1.00 25.14 ATOM 167 HA MET 11 4.211 13.271 3.908 1.00 21.33 ATOM 168 CB MET 11 5.980 14.342 3.339 1.00 43.51 ATOM 169 HB1 MET 11 6.642 13.947 4.097 1.00 37.62 ATOM 170 HB2 MET 11 6.251 15.369 3.138 1.00 54.45 ATOM 171 CG MET 11 6.182 13.535 2.061 1.00 51.43 ATOM 172 HG1 MET 11 7.217 13.612 1.760 1.00 37.62 ATOM 173 HG2 MET 11 5.551 13.944 1.285 1.00 23.32 ATOM 174 SD MET 11 5.771 11.791 2.279 1.00 54.51 ATOM 175 CE MET 11 6.952 11.318 3.544 1.00 45.13 ATOM 176 HE1 MET 11 7.955 11.463 3.172 1.00 53.14 ATOM 177 HE2 MET 11 6.808 10.278 3.799 1.00 42.12 ATOM 178 HE3 MET 11 6.801 11.927 4.422 1.00 31.45 ATOM 179 C MET 11 4.469 14.893 5.283 1.00 24.21 ATOM 180 O MET 11 4.638 14.179 6.271 1.00 1.33 ATOM 181 N ALA 12 4.225 16.201 5.372 1.00 74.12 ATOM 182 HN ALA 12 4.166 16.730 4.551 1.00 37.62 ATOM 183 CA ALA 12 4.039 16.869 6.664 1.00 20.51 ATOM 184 HA ALA 12 4.729 16.427 7.370 1.00 73.24 ATOM 185 CB ALA 12 4.366 18.354 6.545 1.00 12.11 ATOM 186 HB1 ALA 12 4.266 18.827 7.512 1.00 10.33 ATOM 187 HB2 ALA 12 3.685 18.818 5.845 1.00 20.13 ATOM 188 HB3 ALA 12 5.379 18.472 6.190 1.00 0.24 ATOM 189 C ALA 12 2.605 16.667 7.177 1.00 44.44 ATOM 190 O ALA 12 1.638 17.018 6.496 1.00 43.52 ATOM 191 N LYS 13 2.475 16.114 8.381 1.00 23.44 ATOM 192 HN LYS 13 3.279 15.978 8.928 1.00 37.62 ATOM 193 CA LYS 13 1.169 15.706 8.915 1.00 0.34 ATOM 194 HA LYS 13 0.623 15.240 8.108 1.00 61.22 ATOM 195 CB LYS 13 1.360 14.666 10.030 1.00 63.34 ATOM 196 HB1 LYS 13 0.391 14.391 10.424 1.00 37.62 ATOM 197 HB2 LYS 13 1.945 15.112 10.823 1.00 30.44 ATOM 198 CG LYS 13 2.072 13.393 9.571 1.00 14.34 ATOM 199 HG1 LYS 13 2.184 12.731 10.419 1.00 37.62 ATOM 200 HG2 LYS 13 3.050 13.657 9.194 1.00 21.01 ATOM 201 CD LYS 13 1.302 12.664 8.471 1.00 2.02 ATOM 202 HD1 LYS 13 1.863 11.788 8.175 1.00 37.62 ATOM 203 HD2 LYS 13 1.193 13.324 7.623 1.00 12.33 ATOM 204 CE LYS 13 -0.083 12.230 8.935 1.00 52.21 ATOM 205 HE1 LYS 13 -0.664 13.110 9.174 1.00 37.62 ATOM 206 HE2 LYS 13 0.020 11.620 9.822 1.00 60.23 ATOM 207 NZ LYS 13 -0.798 11.447 7.893 1.00 14.31 ATOM 208 HZ1 LYS 13 -1.738 11.170 8.239 1.00 24.51 ATOM 209 HZ2 LYS 13 -0.261 10.586 7.661 1.00 14.04 ATOM 210 HZ3 LYS 13 -0.909 12.015 7.029 1.00 62.15 ATOM 211 C LYS 13 0.338 16.893 9.446 1.00 0.12 ATOM 212 O LYS 13 0.710 17.541 10.430 1.00 35.32 ATOM 213 N PRO 14 -0.804 17.197 8.794 1.00 44.24 ATOM 214 CA PRO 14 -1.744 18.217 9.258 1.00 4.11 ATOM 215 HA PRO 14 -1.240 19.017 9.780 1.00 30.54 ATOM 216 CB PRO 14 -2.319 18.743 7.938 1.00 11.12 ATOM 217 HB1 PRO 14 -1.693 19.541 7.564 1.00 37.62 ATOM 218 HB2 PRO 14 -3.322 19.115 8.097 1.00 71.31 ATOM 219 CG PRO 14 -2.307 17.562 7.010 1.00 31.25 ATOM 220 HG1 PRO 14 -2.049 17.885 6.010 1.00 37.62 ATOM 221 HG2 PRO 14 -3.281 17.094 7.007 1.00 64.44 ATOM 222 CD PRO 14 -1.265 16.589 7.532 1.00 34.44 ATOM 223 HD1 PRO 14 -0.449 16.499 6.828 1.00 37.62 ATOM 224 HD2 PRO 14 -1.709 15.621 7.716 1.00 52.20 ATOM 225 C PRO 14 -2.856 17.632 10.154 1.00 51.01 ATOM 226 O PRO 14 -3.684 16.837 9.701 1.00 54.33 ATOM 227 N THR 15 -2.858 18.011 11.433 1.00 62.40 ATOM 228 HN THR 15 -2.169 18.634 11.745 1.00 37.62 ATOM 229 CA THR 15 -3.865 17.517 12.391 1.00 32.22 ATOM 230 HA THR 15 -4.683 17.088 11.825 1.00 0.42 ATOM 231 CB THR 15 -3.295 16.413 13.319 1.00 61.45 ATOM 232 HB THR 15 -4.047 16.161 14.055 1.00 54.30 ATOM 233 OG1 THR 15 -2.124 16.897 14.002 1.00 35.35 ATOM 234 HG1 THR 15 -2.095 16.519 14.893 1.00 24.45 ATOM 235 CG2 THR 15 -2.946 15.149 12.535 1.00 25.20 ATOM 236 HG21 THR 15 -2.190 15.379 11.798 1.00 22.23 ATOM 237 HG22 THR 15 -3.830 14.775 12.037 1.00 44.32 ATOM 238 HG23 THR 15 -2.570 14.395 13.210 1.00 33.14 ATOM 239 C THR 15 -4.423 18.649 13.264 1.00 43.34 ATOM 240 O THR 15 -5.560 19.082 13.079 1.00 52.43 ATOM 241 N ALA 16 -3.609 19.139 14.201 1.00 3.22 ATOM 242 HN ALA 16 -2.691 18.790 14.264 1.00 37.62 ATOM 243 CA ALA 16 -4.037 20.178 15.146 1.00 32.20 ATOM 244 HA ALA 16 -4.850 19.775 15.736 1.00 13.01 ATOM 245 CB ALA 16 -2.896 20.518 16.098 1.00 31.32 ATOM 246 HB1 ALA 16 -3.247 21.208 16.853 1.00 30.33 ATOM 247 HB2 ALA 16 -2.086 20.974 15.546 1.00 22.50 ATOM 248 HB3 ALA 16 -2.541 19.614 16.574 1.00 12.14 ATOM 249 C ALA 16 -4.528 21.447 14.432 1.00 75.14 ATOM 250 O ALA 16 -3.729 22.242 13.935 1.00 4.04 ATOM 251 N ARG 17 -5.848 21.618 14.367 1.00 24.33 ATOM 252 HN ARG 17 -6.436 20.931 14.750 1.00 37.62 ATOM 253 CA ARG 17 -6.448 22.801 13.741 1.00 73.11 ATOM 254 HA ARG 17 -5.774 23.148 12.968 1.00 73.10 ATOM 255 CB ARG 17 -7.798 22.442 13.097 1.00 14.31 ATOM 256 HB1 ARG 17 -8.200 23.326 12.622 1.00 37.62 ATOM 257 HB2 ARG 17 -8.478 22.126 13.875 1.00 0.34 ATOM 258 CG ARG 17 -7.730 21.327 12.048 1.00 11.54 ATOM 259 HG1 ARG 17 -8.721 21.173 11.642 1.00 37.62 ATOM 260 HG2 ARG 17 -7.399 20.417 12.529 1.00 23.20 ATOM 261 CD ARG 17 -6.770 21.650 10.898 1.00 40.20 ATOM 262 HD1 ARG 17 -6.916 22.681 10.603 1.00 37.62 ATOM 263 HD2 ARG 17 -7.003 21.005 10.063 1.00 43.15 ATOM 264 NE ARG 17 -5.365 21.453 11.267 1.00 44.13 ATOM 265 HE ARG 17 -5.175 20.828 11.993 1.00 22.53 ATOM 266 CZ ARG 17 -4.357 22.046 10.683 1.00 70.43 ATOM 267 NH1 ARG 17 -4.552 22.896 9.727 1.00 40.25 ATOM 268 HH11 ARG 17 -5.480 23.104 9.424 1.00 35.30 ATOM 269 HH12 ARG 17 -3.773 23.353 9.299 1.00 44.53 ATOM 270 NH2 ARG 17 -3.149 21.794 11.072 1.00 75.35 ATOM 271 HH21 ARG 17 -2.988 21.153 11.818 1.00 32.03 ATOM 272 HH22 ARG 17 -2.378 22.238 10.618 1.00 30.24 ATOM 273 C ARG 17 -6.645 23.931 14.764 1.00 40.51 ATOM 274 O ARG 17 -6.707 23.688 15.971 1.00 73.14 ATOM 275 N GLY 18 -6.744 25.165 14.277 1.00 43.42 ATOM 276 HN GLY 18 -6.698 25.299 13.305 1.00 37.62 ATOM 277 CA GLY 18 -6.923 26.315 15.162 1.00 51.12 ATOM 278 HA1 GLY 18 -6.077 26.977 15.044 1.00 37.62 ATOM 279 HA2 GLY 18 -6.953 25.972 16.187 1.00 50.22 ATOM 280 C GLY 18 -8.198 27.095 14.870 1.00 51.12 ATOM 281 O GLY 18 -8.489 27.405 13.711 1.00 21.24 ATOM 282 N GLU 19 -8.954 27.422 15.922 1.00 31.54 ATOM 283 HN GLU 19 -8.651 27.170 16.821 1.00 37.62 ATOM 284 CA GLU 19 -10.219 28.154 15.776 1.00 23.50 ATOM 285 HA GLU 19 -10.815 27.633 15.041 1.00 21.34 ATOM 286 CB GLU 19 -10.989 28.180 17.110 1.00 24.20 ATOM 287 HB1 GLU 19 -11.891 28.761 16.977 1.00 37.62 ATOM 288 HB2 GLU 19 -10.372 28.664 17.854 1.00 45.12 ATOM 289 CG GLU 19 -11.383 26.801 17.642 1.00 73.00 ATOM 290 HG1 GLU 19 -10.485 26.260 17.904 1.00 37.62 ATOM 291 HG2 GLU 19 -11.908 26.263 16.865 1.00 3.51 ATOM 292 CD GLU 19 -12.281 26.881 18.871 1.00 34.34 ATOM 293 OE1 GLU 19 -11.759 26.867 20.007 1.00 15.25 ATOM 294 OE2 GLU 19 -13.518 26.968 18.706 1.00 45.42 ATOM 295 C GLU 19 -9.990 29.597 15.292 1.00 11.13 ATOM 296 O GLU 19 -9.041 30.266 15.713 1.00 74.00 ATOM 297 N ALA 20 -10.864 30.066 14.404 1.00 74.02 ATOM 298 HN ALA 20 -11.564 29.465 14.066 1.00 37.62 ATOM 299 CA ALA 20 -10.816 31.448 13.910 1.00 31.50 ATOM 300 HA ALA 20 -9.912 31.909 14.290 1.00 75.23 ATOM 301 CB ALA 20 -10.747 31.459 12.386 1.00 11.52 ATOM 302 HB1 ALA 20 -11.646 31.017 11.980 1.00 63.14 ATOM 303 HB2 ALA 20 -9.888 30.890 12.060 1.00 52.41 ATOM 304 HB3 ALA 20 -10.657 32.477 12.034 1.00 5.15 ATOM 305 C ALA 20 -12.026 32.250 14.416 1.00 43.24 ATOM 306 O ALA 20 -11.879 33.176 15.215 1.00 4.00 ATOM 307 N GLY 21 -13.219 31.892 13.945 1.00 54.34 ATOM 308 HN GLY 21 -13.268 31.238 13.214 1.00 37.62 ATOM 309 CA GLY 21 -14.448 32.452 14.501 1.00 21.01 ATOM 310 HA1 GLY 21 -14.256 32.772 15.516 1.00 37.62 ATOM 311 HA2 GLY 21 -15.189 31.668 14.530 1.00 34.12 ATOM 312 C GLY 21 -15.034 33.629 13.720 1.00 12.30 ATOM 313 O GLY 21 -15.230 34.711 14.276 1.00 14.03 ATOM 314 N SER 22 -15.311 33.433 12.433 1.00 0.11 ATOM 315 HN SER 22 -14.987 32.616 11.992 1.00 37.62 ATOM 316 CA SER 22 -16.083 34.419 11.653 1.00 35.41 ATOM 317 HA SER 22 -15.864 35.405 12.043 1.00 61.52 ATOM 318 CB SER 22 -15.707 34.374 10.162 1.00 21.22 ATOM 319 HB1 SER 22 -16.404 34.979 9.599 1.00 37.62 ATOM 320 HB2 SER 22 -15.757 33.353 9.811 1.00 74.24 ATOM 321 OG SER 22 -14.395 34.864 9.935 1.00 23.22 ATOM 322 HG SER 22 -14.241 34.933 8.983 1.00 44.32 ATOM 323 C SER 22 -17.583 34.148 11.801 1.00 23.31 ATOM 324 O SER 22 -17.982 33.009 12.033 1.00 22.43 ATOM 325 N ARG 23 -18.413 35.186 11.663 1.00 12.33 ATOM 326 HN ARG 23 -18.037 36.083 11.528 1.00 37.62 ATOM 327 CA ARG 23 -19.879 35.021 11.723 1.00 40.12 ATOM 328 HA ARG 23 -20.149 34.788 12.744 1.00 34.21 ATOM 329 CB ARG 23 -20.575 36.321 11.302 1.00 44.14 ATOM 330 HB1 ARG 23 -21.644 36.197 11.415 1.00 37.62 ATOM 331 HB2 ARG 23 -20.355 36.509 10.260 1.00 74.13 ATOM 332 CG ARG 23 -20.149 37.546 12.103 1.00 14.33 ATOM 333 HG1 ARG 23 -19.074 37.645 12.047 1.00 37.62 ATOM 334 HG2 ARG 23 -20.445 37.414 13.135 1.00 62.12 ATOM 335 CD ARG 23 -20.792 38.819 11.564 1.00 71.00 ATOM 336 HD1 ARG 23 -20.407 39.663 12.119 1.00 37.62 ATOM 337 HD2 ARG 23 -21.861 38.756 11.705 1.00 72.23 ATOM 338 NE ARG 23 -20.516 39.016 10.139 1.00 61.00 ATOM 339 HE ARG 23 -20.707 38.267 9.537 1.00 34.53 ATOM 340 CZ ARG 23 -20.052 40.121 9.621 1.00 73.42 ATOM 341 NH1 ARG 23 -19.769 41.136 10.373 1.00 42.02 ATOM 342 HH11 ARG 23 -19.904 41.079 11.359 1.00 74.22 ATOM 343 HH12 ARG 23 -19.415 41.976 9.962 1.00 2.32 ATOM 344 NH2 ARG 23 -19.856 40.207 8.344 1.00 41.34 ATOM 345 HH21 ARG 23 -20.059 39.430 7.758 1.00 70.22 ATOM 346 HH22 ARG 23 -19.499 41.054 7.948 1.00 2.03 ATOM 347 C ARG 23 -20.335 33.873 10.807 1.00 32.54 ATOM 348 O ARG 23 -21.164 33.040 11.182 1.00 45.33 ATOM 349 N ASP 24 -19.767 33.850 9.605 1.00 3.44 ATOM 350 HN ASP 24 -19.180 34.595 9.351 1.00 37.62 ATOM 351 CA ASP 24 -19.986 32.770 8.641 1.00 3.42 ATOM 352 HA ASP 24 -21.031 32.777 8.368 1.00 42.32 ATOM 353 CB ASP 24 -19.143 33.053 7.390 1.00 25.23 ATOM 354 HB1 ASP 24 -18.143 33.331 7.696 1.00 37.62 ATOM 355 HB2 ASP 24 -19.585 33.876 6.847 1.00 5.43 ATOM 356 CG ASP 24 -19.047 31.863 6.453 1.00 43.51 ATOM 357 OD1 ASP 24 -20.072 31.499 5.847 1.00 41.20 ATOM 358 OD2 ASP 24 -17.942 31.296 6.322 1.00 62.30 ATOM 359 C ASP 24 -19.640 31.392 9.244 1.00 74.22 ATOM 360 O ASP 24 -20.488 30.495 9.293 1.00 64.40 ATOM 361 N GLU 25 -18.399 31.236 9.712 1.00 43.14 ATOM 362 HN GLU 25 -17.767 31.979 9.632 1.00 37.62 ATOM 363 CA GLU 25 -17.945 29.979 10.332 1.00 74.44 ATOM 364 HA GLU 25 -17.980 29.209 9.576 1.00 23.11 ATOM 365 CB GLU 25 -16.498 30.119 10.831 1.00 55.41 ATOM 366 HB1 GLU 25 -16.200 29.189 11.295 1.00 37.62 ATOM 367 HB2 GLU 25 -16.462 30.904 11.574 1.00 22.55 ATOM 368 CG GLU 25 -15.484 30.455 9.741 1.00 4.54 ATOM 369 HG1 GLU 25 -15.748 31.406 9.301 1.00 37.62 ATOM 370 HG2 GLU 25 -15.522 29.687 8.980 1.00 4.42 ATOM 371 CD GLU 25 -14.064 30.543 10.281 1.00 62.32 ATOM 372 OE1 GLU 25 -13.294 29.571 10.113 1.00 33.44 ATOM 373 OE2 GLU 25 -13.721 31.573 10.901 1.00 12.25 ATOM 374 C GLU 25 -18.846 29.556 11.509 1.00 43.33 ATOM 375 O GLU 25 -19.178 28.378 11.661 1.00 73.45 ATOM 376 N ARG 26 -19.244 30.522 12.335 1.00 41.11 ATOM 377 HN ARG 26 -18.988 31.448 12.142 1.00 37.62 ATOM 378 CA ARG 26 -20.056 30.235 13.524 1.00 5.03 ATOM 379 HA ARG 26 -19.527 29.484 14.096 1.00 21.22 ATOM 380 CB ARG 26 -20.207 31.489 14.397 1.00 31.15 ATOM 381 HB1 ARG 26 -20.814 31.244 15.259 1.00 37.62 ATOM 382 HB2 ARG 26 -20.706 32.259 13.822 1.00 61.01 ATOM 383 CG ARG 26 -18.872 32.050 14.891 1.00 30.20 ATOM 384 HG1 ARG 26 -18.356 32.514 14.060 1.00 37.62 ATOM 385 HG2 ARG 26 -18.270 31.239 15.278 1.00 60.52 ATOM 386 CD ARG 26 -19.065 33.086 15.993 1.00 2.32 ATOM 387 HD1 ARG 26 -19.740 33.851 15.639 1.00 37.62 ATOM 388 HD2 ARG 26 -18.108 33.531 16.223 1.00 25.11 ATOM 389 NE ARG 26 -19.615 32.488 17.208 1.00 50.23 ATOM 390 HE ARG 26 -19.381 31.557 17.397 1.00 20.34 ATOM 391 CZ ARG 26 -20.386 33.115 18.054 1.00 14.00 ATOM 392 NH1 ARG 26 -20.727 34.349 17.854 1.00 53.21 ATOM 393 HH11 ARG 26 -20.400 34.832 17.042 1.00 74.20 ATOM 394 HH12 ARG 26 -21.314 34.813 18.512 1.00 64.21 ATOM 395 NH2 ARG 26 -20.822 32.502 19.106 1.00 42.42 ATOM 396 HH21 ARG 26 -20.567 31.550 19.270 1.00 22.12 ATOM 397 HH22 ARG 26 -21.414 32.981 19.748 1.00 15.11 ATOM 398 C ARG 26 -21.430 29.661 13.145 1.00 25.22 ATOM 399 O ARG 26 -21.956 28.790 13.834 1.00 63.40 ATOM 400 N ARG 27 -21.998 30.135 12.037 1.00 64.40 ATOM 401 HN ARG 27 -21.573 30.883 11.561 1.00 37.62 ATOM 402 CA ARG 27 -23.244 29.561 11.515 1.00 53.25 ATOM 403 HA ARG 27 -23.982 29.605 12.305 1.00 51.45 ATOM 404 CB ARG 27 -23.754 30.370 10.312 1.00 1.31 ATOM 405 HB1 ARG 27 -24.584 29.841 9.863 1.00 37.62 ATOM 406 HB2 ARG 27 -22.958 30.450 9.584 1.00 61.50 ATOM 407 CG ARG 27 -24.222 31.780 10.661 1.00 0.24 ATOM 408 HG1 ARG 27 -24.553 32.271 9.757 1.00 37.62 ATOM 409 HG2 ARG 27 -23.396 32.331 11.089 1.00 14.44 ATOM 410 CD ARG 27 -25.375 31.761 11.661 1.00 75.42 ATOM 411 HD1 ARG 27 -25.025 31.328 12.588 1.00 37.62 ATOM 412 HD2 ARG 27 -26.172 31.152 11.259 1.00 63.43 ATOM 413 NE ARG 27 -25.895 33.101 11.929 1.00 0.50 ATOM 414 HE ARG 27 -25.534 33.838 11.399 1.00 62.20 ATOM 415 CZ ARG 27 -26.811 33.371 12.821 1.00 22.13 ATOM 416 NH1 ARG 27 -27.332 32.429 13.538 1.00 43.34 ATOM 417 HH11 ARG 27 -27.040 31.483 13.412 1.00 33.33 ATOM 418 HH12 ARG 27 -28.022 32.654 14.223 1.00 70.43 ATOM 419 NH2 ARG 27 -27.215 34.588 12.989 1.00 53.54 ATOM 420 HH21 ARG 27 -26.830 35.324 12.437 1.00 61.23 ATOM 421 HH22 ARG 27 -27.915 34.788 13.675 1.00 73.24 ATOM 422 C ARG 27 -23.041 28.090 11.115 1.00 71.41 ATOM 423 O ARG 27 -23.926 27.252 11.299 1.00 52.32 ATOM 424 N ALA 28 -21.861 27.784 10.578 1.00 71.24 ATOM 425 HN ALA 28 -21.200 28.498 10.439 1.00 37.62 ATOM 426 CA ALA 28 -21.521 26.415 10.187 1.00 51.40 ATOM 427 HA ALA 28 -22.295 26.060 9.519 1.00 74.23 ATOM 428 CB ALA 28 -20.201 26.400 9.427 1.00 0.40 ATOM 429 HB1 ALA 28 -19.401 26.709 10.086 1.00 15.21 ATOM 430 HB2 ALA 28 -20.260 27.080 8.590 1.00 14.12 ATOM 431 HB3 ALA 28 -20.004 25.402 9.066 1.00 24.20 ATOM 432 C ALA 28 -21.446 25.477 11.404 1.00 0.22 ATOM 433 O ALA 28 -22.088 24.428 11.432 1.00 74.34 ATOM 434 N LEU 29 -20.657 25.857 12.411 1.00 62.43 ATOM 435 HN LEU 29 -20.164 26.705 12.339 1.00 37.62 ATOM 436 CA LEU 29 -20.500 25.031 13.618 1.00 53.31 ATOM 437 HA LEU 29 -20.316 24.020 13.283 1.00 52.14 ATOM 438 CB LEU 29 -19.275 25.495 14.434 1.00 14.13 ATOM 439 HB1 LEU 29 -18.391 25.301 13.838 1.00 37.62 ATOM 440 HB2 LEU 29 -19.217 24.888 15.327 1.00 3.42 ATOM 441 CG LEU 29 -19.249 26.979 14.860 1.00 33.24 ATOM 442 HG LEU 29 -19.681 27.574 14.068 1.00 64.44 ATOM 443 CD1 LEU 29 -20.085 27.217 16.117 1.00 61.42 ATOM 444 HD11 LEU 29 -19.697 26.619 16.930 1.00 54.32 ATOM 445 HD12 LEU 29 -21.110 26.939 15.926 1.00 0.30 ATOM 446 HD13 LEU 29 -20.043 28.263 16.388 1.00 4.21 ATOM 447 CD2 LEU 29 -17.810 27.455 15.064 1.00 53.52 ATOM 448 HD21 LEU 29 -17.812 28.486 15.389 1.00 55.15 ATOM 449 HD22 LEU 29 -17.271 27.376 14.130 1.00 71.30 ATOM 450 HD23 LEU 29 -17.325 26.841 15.812 1.00 44.35 ATOM 451 C LEU 29 -21.780 25.012 14.477 1.00 33.52 ATOM 452 O LEU 29 -22.008 24.074 15.243 1.00 53.44 ATOM 453 N ALA 30 -22.612 26.045 14.342 1.00 5.14 ATOM 454 HN ALA 30 -22.333 26.813 13.799 1.00 37.62 ATOM 455 CA ALA 30 -23.923 26.077 15.006 1.00 14.30 ATOM 456 HA ALA 30 -23.764 25.912 16.065 1.00 33.31 ATOM 457 CB ALA 30 -24.575 27.445 14.830 1.00 50.44 ATOM 458 HB1 ALA 30 -24.753 27.630 13.779 1.00 11.00 ATOM 459 HB2 ALA 30 -23.920 28.210 15.223 1.00 60.31 ATOM 460 HB3 ALA 30 -25.514 27.468 15.364 1.00 34.15 ATOM 461 C ALA 30 -24.840 24.972 14.462 1.00 11.45 ATOM 462 O ALA 30 -25.588 24.338 15.211 1.00 11.42 ATOM 463 N MET 31 -24.768 24.747 13.151 1.00 62.14 ATOM 464 HN MET 31 -24.186 25.320 12.605 1.00 37.62 ATOM 465 CA MET 31 -25.528 23.677 12.493 1.00 21.55 ATOM 466 HA MET 31 -26.379 23.439 13.115 1.00 64.40 ATOM 467 CB MET 31 -26.030 24.165 11.128 1.00 74.33 ATOM 468 HB1 MET 31 -26.490 23.336 10.606 1.00 37.62 ATOM 469 HB2 MET 31 -25.185 24.515 10.552 1.00 75.44 ATOM 470 CG MET 31 -27.045 25.297 11.216 1.00 70.41 ATOM 471 HG1 MET 31 -27.259 25.650 10.216 1.00 37.62 ATOM 472 HG2 MET 31 -26.621 26.102 11.798 1.00 64.20 ATOM 473 SD MET 31 -28.589 24.782 11.988 1.00 33.24 ATOM 474 CE MET 31 -29.140 23.520 10.835 1.00 72.25 ATOM 475 HE1 MET 31 -30.081 23.106 11.170 1.00 11.52 ATOM 476 HE2 MET 31 -28.404 22.732 10.781 1.00 33.24 ATOM 477 HE3 MET 31 -29.269 23.959 9.855 1.00 60.13 ATOM 478 C MET 31 -24.677 22.406 12.322 1.00 73.10 ATOM 479 O MET 31 -25.094 21.456 11.661 1.00 42.02 ATOM 480 N LYS 32 -23.486 22.405 12.927 1.00 32.21 ATOM 481 HN LYS 32 -23.215 23.200 13.426 1.00 37.62 ATOM 482 CA LYS 32 -22.565 21.257 12.880 1.00 12.22 ATOM 483 HA LYS 32 -21.654 21.564 13.375 1.00 31.21 ATOM 484 CB LYS 32 -23.150 20.061 13.650 1.00 31.21 ATOM 485 HB1 LYS 32 -22.433 19.249 13.629 1.00 37.62 ATOM 486 HB2 LYS 32 -24.056 19.738 13.156 1.00 22.43 ATOM 487 CG LYS 32 -23.482 20.368 15.109 1.00 53.35 ATOM 488 HG1 LYS 32 -24.233 21.149 15.138 1.00 37.62 ATOM 489 HG2 LYS 32 -22.588 20.716 15.606 1.00 54.41 ATOM 490 CD LYS 32 -24.018 19.142 15.854 1.00 20.01 ATOM 491 HD1 LYS 32 -24.746 18.647 15.226 1.00 37.62 ATOM 492 HD2 LYS 32 -24.498 19.471 16.764 1.00 12.52 ATOM 493 CE LYS 32 -22.919 18.141 16.217 1.00 24.21 ATOM 494 HE1 LYS 32 -23.360 17.344 16.801 1.00 37.62 ATOM 495 HE2 LYS 32 -22.175 18.647 16.814 1.00 1.52 ATOM 496 NZ LYS 32 -22.249 17.548 15.026 1.00 51.11 ATOM 497 HZ1 LYS 32 -21.641 16.754 15.316 1.00 41.43 ATOM 498 HZ2 LYS 32 -21.659 18.260 14.550 1.00 63.33 ATOM 499 HZ3 LYS 32 -22.958 17.197 14.354 1.00 30.44 ATOM 500 C LYS 32 -22.205 20.844 11.439 1.00 73.15 ATOM 501 O LYS 32 -22.631 19.793 10.948 1.00 4.21 ATOM 502 N ILE 33 -21.430 21.687 10.759 1.00 74.25 ATOM 503 HN ILE 33 -21.200 22.550 11.164 1.00 37.62 ATOM 504 CA ILE 33 -20.931 21.374 9.414 1.00 50.53 ATOM 505 HA ILE 33 -21.622 20.676 8.959 1.00 33.33 ATOM 506 CB ILE 33 -20.877 22.649 8.527 1.00 33.35 ATOM 507 HB ILE 33 -20.253 23.378 9.027 1.00 13.02 ATOM 508 CG1 ILE 33 -22.289 23.245 8.351 1.00 61.22 ATOM 509 HG11 ILE 33 -22.224 24.140 7.747 1.00 37.62 ATOM 510 HG12 ILE 33 -22.684 23.504 9.322 1.00 63.21 ATOM 511 CG2 ILE 33 -20.248 22.346 7.168 1.00 64.23 ATOM 512 HG21 ILE 33 -20.823 21.580 6.669 1.00 60.03 ATOM 513 HG22 ILE 33 -19.233 22.001 7.306 1.00 34.42 ATOM 514 HG23 ILE 33 -20.243 23.242 6.563 1.00 64.12 ATOM 515 CD1 ILE 33 -23.283 22.308 7.689 1.00 0.51 ATOM 516 HD11 ILE 33 -22.917 22.021 6.713 1.00 21.52 ATOM 517 HD12 ILE 33 -24.234 22.811 7.582 1.00 41.33 ATOM 518 HD13 ILE 33 -23.410 21.426 8.300 1.00 1.10 ATOM 519 C ILE 33 -19.532 20.719 9.485 1.00 14.34 ATOM 520 O ILE 33 -18.572 21.328 9.958 1.00 33.32 ATOM 521 N PRO 34 -19.401 19.457 9.020 1.00 31.50 ATOM 522 CA PRO 34 -18.140 18.689 9.120 1.00 1.44 ATOM 523 HA PRO 34 -17.685 18.809 10.093 1.00 63.45 ATOM 524 CB PRO 34 -18.628 17.244 8.964 1.00 32.44 ATOM 525 HB1 PRO 34 -18.905 16.845 9.929 1.00 37.62 ATOM 526 HB2 PRO 34 -17.845 16.635 8.532 1.00 3.11 ATOM 527 CG PRO 34 -19.810 17.348 8.059 1.00 14.45 ATOM 528 HG1 PRO 34 -20.491 16.530 8.247 1.00 37.62 ATOM 529 HG2 PRO 34 -19.483 17.333 7.027 1.00 52.50 ATOM 530 CD PRO 34 -20.472 18.667 8.376 1.00 23.34 ATOM 531 HD1 PRO 34 -21.302 18.522 9.053 1.00 37.62 ATOM 532 HD2 PRO 34 -20.810 19.147 7.467 1.00 42.24 ATOM 533 C PRO 34 -17.098 19.033 8.031 1.00 0.54 ATOM 534 O PRO 34 -16.261 18.196 7.677 1.00 41.44 ATOM 535 N PHE 35 -17.139 20.260 7.513 1.00 42.34 ATOM 536 HN PHE 35 -17.840 20.878 7.808 1.00 37.62 ATOM 537 CA PHE 35 -16.154 20.721 6.521 1.00 32.10 ATOM 538 HA PHE 35 -15.198 20.307 6.811 1.00 73.21 ATOM 539 CB PHE 35 -16.500 20.196 5.110 1.00 63.22 ATOM 540 HB1 PHE 35 -16.242 19.146 5.057 1.00 37.62 ATOM 541 HB2 PHE 35 -15.911 20.733 4.381 1.00 32.14 ATOM 542 CG PHE 35 -17.953 20.336 4.718 1.00 72.24 ATOM 543 CD1 PHE 35 -18.839 19.283 4.907 1.00 4.40 ATOM 544 HD1 PHE 35 -18.481 18.362 5.346 1.00 21.14 ATOM 545 CD2 PHE 35 -18.429 21.509 4.153 1.00 74.33 ATOM 546 HD2 PHE 35 -17.752 22.335 3.999 1.00 24.35 ATOM 547 CE1 PHE 35 -20.166 19.399 4.545 1.00 11.51 ATOM 548 HE1 PHE 35 -20.844 18.572 4.697 1.00 31.55 ATOM 549 CE2 PHE 35 -19.757 21.630 3.790 1.00 60.14 ATOM 550 HE2 PHE 35 -20.117 22.552 3.351 1.00 41.23 ATOM 551 CZ PHE 35 -20.625 20.575 3.985 1.00 4.42 ATOM 552 HZ PHE 35 -21.663 20.670 3.702 1.00 33.33 ATOM 553 C PHE 35 -16.021 22.257 6.529 1.00 45.34 ATOM 554 O PHE 35 -17.001 22.970 6.744 1.00 55.02 ATOM 555 N PRO 36 -14.796 22.785 6.299 1.00 51.24 ATOM 556 CA PRO 36 -14.522 24.234 6.385 1.00 14.23 ATOM 557 HA PRO 36 -14.807 24.622 7.353 1.00 62.31 ATOM 558 CB PRO 36 -12.993 24.316 6.237 1.00 62.43 ATOM 559 HB1 PRO 36 -12.535 24.340 7.216 1.00 37.62 ATOM 560 HB2 PRO 36 -12.722 25.209 5.688 1.00 52.22 ATOM 561 CG PRO 36 -12.617 23.079 5.493 1.00 14.25 ATOM 562 HG1 PRO 36 -11.603 22.795 5.738 1.00 37.62 ATOM 563 HG2 PRO 36 -12.713 23.243 4.427 1.00 54.31 ATOM 564 CD PRO 36 -13.584 22.016 5.949 1.00 74.11 ATOM 565 HD1 PRO 36 -13.197 21.498 6.816 1.00 37.62 ATOM 566 HD2 PRO 36 -13.785 21.319 5.148 1.00 33.43 ATOM 567 C PRO 36 -15.220 25.064 5.291 1.00 41.14 ATOM 568 O PRO 36 -15.234 24.691 4.113 1.00 35.32 ATOM 569 N THR 37 -15.767 26.212 5.691 1.00 70.04 ATOM 570 HN THR 37 -15.675 26.478 6.631 1.00 37.62 ATOM 571 CA THR 37 -16.492 27.098 4.770 1.00 14.03 ATOM 572 HA THR 37 -17.277 26.519 4.305 1.00 23.23 ATOM 573 CB THR 37 -17.144 28.284 5.518 1.00 34.14 ATOM 574 HB THR 37 -17.686 28.887 4.802 1.00 3.55 ATOM 575 OG1 THR 37 -16.133 29.094 6.139 1.00 45.24 ATOM 576 HG1 THR 37 -16.556 29.850 6.570 1.00 53.01 ATOM 577 CG2 THR 37 -18.126 27.791 6.582 1.00 61.01 ATOM 578 HG21 THR 37 -18.571 28.640 7.082 1.00 70.32 ATOM 579 HG22 THR 37 -17.604 27.181 7.306 1.00 1.54 ATOM 580 HG23 THR 37 -18.904 27.204 6.112 1.00 42.30 ATOM 581 C THR 37 -15.573 27.648 3.673 1.00 11.42 ATOM 582 O THR 37 -16.001 27.854 2.535 1.00 41.13 ATOM 583 N ASP 38 -14.308 27.878 4.025 1.00 22.34 ATOM 584 HN ASP 38 -14.057 27.785 4.970 1.00 37.62 ATOM 585 CA ASP 38 -13.288 28.296 3.056 1.00 63.23 ATOM 586 HA ASP 38 -13.505 29.311 2.758 1.00 65.20 ATOM 587 CB ASP 38 -11.901 28.245 3.705 1.00 55.44 ATOM 588 HB1 ASP 38 -11.173 28.649 3.013 1.00 37.62 ATOM 589 HB2 ASP 38 -11.649 27.218 3.923 1.00 42.24 ATOM 590 CG ASP 38 -11.835 29.041 4.996 1.00 52.12 ATOM 591 OD1 ASP 38 -12.358 28.563 6.022 1.00 62.01 ATOM 592 OD2 ASP 38 -11.245 30.140 4.994 1.00 63.34 ATOM 593 C ASP 38 -13.308 27.392 1.813 1.00 74.41 ATOM 594 O ASP 38 -13.362 27.869 0.676 1.00 35.24 ATOM 595 N LYS 39 -13.288 26.080 2.046 1.00 23.12 ATOM 596 HN LYS 39 -13.251 25.765 2.973 1.00 37.62 ATOM 597 CA LYS 39 -13.328 25.097 0.962 1.00 73.35 ATOM 598 HA LYS 39 -12.497 25.309 0.299 1.00 32.02 ATOM 599 CB LYS 39 -13.158 23.676 1.525 1.00 13.44 ATOM 600 HB1 LYS 39 -13.909 23.508 2.284 1.00 37.62 ATOM 601 HB2 LYS 39 -12.179 23.598 1.980 1.00 43.34 ATOM 602 CG LYS 39 -13.287 22.578 0.471 1.00 12.22 ATOM 603 HG1 LYS 39 -12.577 22.771 -0.322 1.00 37.62 ATOM 604 HG2 LYS 39 -14.288 22.605 0.065 1.00 11.24 ATOM 605 CD LYS 39 -13.027 21.183 1.039 1.00 21.23 ATOM 606 HD1 LYS 39 -13.260 20.448 0.280 1.00 37.62 ATOM 607 HD2 LYS 39 -13.667 21.027 1.895 1.00 11.41 ATOM 608 CE LYS 39 -11.575 21.002 1.471 1.00 45.03 ATOM 609 HE1 LYS 39 -11.371 21.665 2.300 1.00 37.62 ATOM 610 HE2 LYS 39 -10.929 21.255 0.643 1.00 24.24 ATOM 611 NZ LYS 39 -11.294 19.604 1.891 1.00 2.34 ATOM 612 HZ1 LYS 39 -10.291 19.501 2.149 1.00 53.42 ATOM 613 HZ2 LYS 39 -11.507 18.949 1.113 1.00 11.12 ATOM 614 HZ3 LYS 39 -11.880 19.349 2.710 1.00 53.42 ATOM 615 C LYS 39 -14.637 25.209 0.157 1.00 55.53 ATOM 616 O LYS 39 -14.622 25.151 -1.070 1.00 44.13 ATOM 617 N ILE 40 -15.761 25.387 0.858 1.00 73.52 ATOM 618 HN ILE 40 -15.710 25.405 1.839 1.00 37.62 ATOM 619 CA ILE 40 -17.071 25.563 0.210 1.00 13.01 ATOM 620 HA ILE 40 -17.333 24.632 -0.275 1.00 24.45 ATOM 621 CB ILE 40 -18.168 25.900 1.256 1.00 52.33 ATOM 622 HB ILE 40 -17.885 26.822 1.747 1.00 13.33 ATOM 623 CG1 ILE 40 -18.276 24.787 2.314 1.00 73.04 ATOM 624 HG11 ILE 40 -17.304 24.630 2.763 1.00 37.62 ATOM 625 HG12 ILE 40 -18.597 23.872 1.837 1.00 62.41 ATOM 626 CG2 ILE 40 -19.519 26.134 0.575 1.00 40.10 ATOM 627 HG21 ILE 40 -19.799 25.254 0.014 1.00 24.40 ATOM 628 HG22 ILE 40 -19.443 26.978 -0.096 1.00 65.52 ATOM 629 HG23 ILE 40 -20.273 26.338 1.323 1.00 42.33 ATOM 630 CD1 ILE 40 -19.259 25.095 3.430 1.00 54.52 ATOM 631 HD11 ILE 40 -20.244 25.240 3.015 1.00 21.53 ATOM 632 HD12 ILE 40 -18.953 25.993 3.944 1.00 31.20 ATOM 633 HD13 ILE 40 -19.281 24.271 4.127 1.00 32.54 ATOM 634 C ILE 40 -17.031 26.687 -0.842 1.00 24.44 ATOM 635 O ILE 40 -17.575 26.556 -1.942 1.00 60.53 ATOM 636 N VAL 41 -16.379 27.790 -0.489 1.00 42.43 ATOM 637 HN VAL 41 -15.962 27.830 0.401 1.00 37.62 ATOM 638 CA VAL 41 -16.277 28.952 -1.379 1.00 70.03 ATOM 639 HA VAL 41 -17.248 29.108 -1.831 1.00 32.32 ATOM 640 CB VAL 41 -15.909 30.227 -0.578 1.00 53.42 ATOM 641 HB VAL 41 -14.924 30.085 -0.153 1.00 1.22 ATOM 642 CG1 VAL 41 -15.858 31.456 -1.488 1.00 61.25 ATOM 643 HG11 VAL 41 -15.099 31.315 -2.244 1.00 2.52 ATOM 644 HG12 VAL 41 -15.622 32.332 -0.902 1.00 44.44 ATOM 645 HG13 VAL 41 -16.818 31.593 -1.965 1.00 42.54 ATOM 646 CG2 VAL 41 -16.893 30.443 0.573 1.00 32.24 ATOM 647 HG21 VAL 41 -16.598 31.314 1.140 1.00 72.45 ATOM 648 HG22 VAL 41 -16.892 29.577 1.220 1.00 45.32 ATOM 649 HG23 VAL 41 -17.886 30.592 0.176 1.00 31.23 ATOM 650 C VAL 41 -15.239 28.736 -2.501 1.00 54.24 ATOM 651 O VAL 41 -15.411 29.222 -3.622 1.00 54.33 ATOM 652 N ASN 42 -14.168 28.003 -2.195 1.00 21.55 ATOM 653 HN ASN 42 -14.110 27.596 -1.304 1.00 37.62 ATOM 654 CA ASN 42 -13.077 27.782 -3.161 1.00 20.02 ATOM 655 HA ASN 42 -12.908 28.718 -3.679 1.00 53.14 ATOM 656 CB ASN 42 -11.785 27.391 -2.429 1.00 21.41 ATOM 657 HB1 ASN 42 -11.062 27.044 -3.154 1.00 37.62 ATOM 658 HB2 ASN 42 -12.000 26.591 -1.736 1.00 51.24 ATOM 659 CG ASN 42 -11.162 28.541 -1.649 1.00 44.42 ATOM 660 OD1 ASN 42 -9.944 28.633 -1.528 1.00 72.33 ATOM 661 ND2 ASN 42 -11.979 29.415 -1.097 1.00 62.03 ATOM 662 HD21 ASN 42 -12.939 29.289 -1.213 1.00 54.15 ATOM 663 HD22 ASN 42 -11.587 30.154 -0.592 1.00 22.14 ATOM 664 C ASN 42 -13.425 26.707 -4.211 1.00 73.31 ATOM 665 O ASN 42 -12.994 26.793 -5.363 1.00 73.25 ATOM 666 N LEU 43 -14.199 25.696 -3.818 1.00 20.52 ATOM 667 HN LEU 43 -14.533 25.678 -2.896 1.00 37.62 ATOM 668 CA LEU 43 -14.568 24.608 -4.736 1.00 20.03 ATOM 669 HA LEU 43 -13.656 24.251 -5.198 1.00 22.23 ATOM 670 CB LEU 43 -15.219 23.445 -3.970 1.00 71.53 ATOM 671 HB1 LEU 43 -15.626 22.748 -4.691 1.00 37.62 ATOM 672 HB2 LEU 43 -16.038 23.843 -3.387 1.00 13.42 ATOM 673 CG LEU 43 -14.292 22.663 -3.026 1.00 41.13 ATOM 674 HG LEU 43 -13.944 23.327 -2.248 1.00 44.03 ATOM 675 CD1 LEU 43 -15.056 21.523 -2.358 1.00 32.50 ATOM 676 HD11 LEU 43 -14.390 20.980 -1.703 1.00 61.23 ATOM 677 HD12 LEU 43 -15.442 20.853 -3.113 1.00 2.15 ATOM 678 HD13 LEU 43 -15.875 21.928 -1.782 1.00 20.33 ATOM 679 CD2 LEU 43 -13.069 22.129 -3.776 1.00 33.04 ATOM 680 HD21 LEU 43 -12.448 21.562 -3.096 1.00 23.34 ATOM 681 HD22 LEU 43 -12.500 22.956 -4.174 1.00 11.52 ATOM 682 HD23 LEU 43 -13.389 21.490 -4.587 1.00 41.24 ATOM 683 C LEU 43 -15.526 25.086 -5.840 1.00 11.11 ATOM 684 O LEU 43 -16.337 25.991 -5.629 1.00 13.32 ATOM 685 N PRO 44 -15.434 24.493 -7.046 1.00 32.24 ATOM 686 CA PRO 44 -16.401 24.747 -8.125 1.00 55.51 ATOM 687 HA PRO 44 -16.586 25.805 -8.253 1.00 61.54 ATOM 688 CB PRO 44 -15.686 24.190 -9.364 1.00 43.13 ATOM 689 HB1 PRO 44 -15.097 24.971 -9.828 1.00 37.62 ATOM 690 HB2 PRO 44 -16.413 23.815 -10.072 1.00 72.01 ATOM 691 CG PRO 44 -14.820 23.098 -8.833 1.00 64.23 ATOM 692 HG1 PRO 44 -13.963 22.961 -9.479 1.00 37.62 ATOM 693 HG2 PRO 44 -15.389 22.180 -8.764 1.00 53.00 ATOM 694 CD PRO 44 -14.379 23.543 -7.460 1.00 3.10 ATOM 695 HD1 PRO 44 -13.417 24.034 -7.510 1.00 37.62 ATOM 696 HD2 PRO 44 -14.336 22.700 -6.786 1.00 61.15 ATOM 697 C PRO 44 -17.733 24.016 -7.881 1.00 33.42 ATOM 698 O PRO 44 -17.825 23.158 -6.999 1.00 24.23 ATOM 699 N VAL 45 -18.761 24.347 -8.665 1.00 62.40 ATOM 700 HN VAL 45 -18.629 25.020 -9.366 1.00 37.62 ATOM 701 CA VAL 45 -20.089 23.734 -8.497 1.00 0.43 ATOM 702 HA VAL 45 -20.459 24.029 -7.522 1.00 23.22 ATOM 703 CB VAL 45 -21.094 24.246 -9.565 1.00 1.44 ATOM 704 HB VAL 45 -21.121 25.327 -9.504 1.00 42.53 ATOM 705 CG1 VAL 45 -20.642 23.871 -10.977 1.00 74.32 ATOM 706 HG11 VAL 45 -19.665 24.291 -11.165 1.00 44.14 ATOM 707 HG12 VAL 45 -21.345 24.261 -11.699 1.00 54.13 ATOM 708 HG13 VAL 45 -20.595 22.794 -11.068 1.00 63.11 ATOM 709 CG2 VAL 45 -22.505 23.725 -9.282 1.00 23.32 ATOM 710 HG21 VAL 45 -23.183 24.085 -10.043 1.00 34.14 ATOM 711 HG22 VAL 45 -22.835 24.077 -8.315 1.00 43.54 ATOM 712 HG23 VAL 45 -22.502 22.644 -9.287 1.00 3.15 ATOM 713 C VAL 45 -20.018 22.195 -8.548 1.00 51.31 ATOM 714 O VAL 45 -20.763 21.506 -7.854 1.00 62.14 ATOM 715 N ASP 46 -19.104 21.669 -9.361 1.00 35.51 ATOM 716 HN ASP 46 -18.548 22.272 -9.898 1.00 37.62 ATOM 717 CA ASP 46 -18.906 20.221 -9.495 1.00 44.51 ATOM 718 HA ASP 46 -19.826 19.795 -9.875 1.00 31.04 ATOM 719 CB ASP 46 -17.786 19.959 -10.504 1.00 11.20 ATOM 720 HB1 ASP 46 -17.702 18.895 -10.677 1.00 37.62 ATOM 721 HB2 ASP 46 -16.851 20.328 -10.101 1.00 1.40 ATOM 722 CG ASP 46 -18.050 20.649 -11.834 1.00 73.50 ATOM 723 OD1 ASP 46 -17.681 21.839 -11.979 1.00 4.31 ATOM 724 OD2 ASP 46 -18.643 20.016 -12.737 1.00 3.12 ATOM 725 C ASP 46 -18.577 19.564 -8.137 1.00 25.22 ATOM 726 O ASP 46 -19.322 18.707 -7.652 1.00 42.34 ATOM 727 N ASP 47 -17.463 19.975 -7.529 1.00 11.33 ATOM 728 HN ASP 47 -16.878 20.612 -7.991 1.00 37.62 ATOM 729 CA ASP 47 -17.071 19.487 -6.197 1.00 70.22 ATOM 730 HA ASP 47 -16.996 18.408 -6.251 1.00 43.10 ATOM 731 CB ASP 47 -15.702 20.059 -5.803 1.00 70.05 ATOM 732 HB1 ASP 47 -15.478 19.769 -4.785 1.00 37.62 ATOM 733 HB2 ASP 47 -15.740 21.139 -5.861 1.00 2.34 ATOM 734 CG ASP 47 -14.583 19.570 -6.702 1.00 3.13 ATOM 735 OD1 ASP 47 -13.701 18.825 -6.220 1.00 30.31 ATOM 736 OD2 ASP 47 -14.581 19.921 -7.898 1.00 43.12 ATOM 737 C ASP 47 -18.113 19.857 -5.122 1.00 3.45 ATOM 738 O ASP 47 -18.354 19.092 -4.187 1.00 4.33 ATOM 739 N PHE 48 -18.718 21.035 -5.264 1.00 70.12 ATOM 740 HN PHE 48 -18.471 21.603 -6.022 1.00 37.62 ATOM 741 CA PHE 48 -19.740 21.514 -4.322 1.00 73.03 ATOM 742 HA PHE 48 -19.280 21.593 -3.346 1.00 63.20 ATOM 743 CB PHE 48 -20.227 22.906 -4.755 1.00 33.14 ATOM 744 HB1 PHE 48 -20.625 22.843 -5.760 1.00 37.62 ATOM 745 HB2 PHE 48 -19.387 23.588 -4.755 1.00 22.30 ATOM 746 CG PHE 48 -21.294 23.493 -3.865 1.00 2.52 ATOM 747 CD1 PHE 48 -22.619 23.536 -4.278 1.00 62.22 ATOM 748 HD1 PHE 48 -22.886 23.141 -5.247 1.00 12.30 ATOM 749 CD2 PHE 48 -20.969 24.004 -2.616 1.00 51.03 ATOM 750 HD2 PHE 48 -19.942 23.976 -2.283 1.00 75.51 ATOM 751 CE1 PHE 48 -23.595 24.074 -3.461 1.00 32.04 ATOM 752 HE1 PHE 48 -24.622 24.103 -3.795 1.00 3.23 ATOM 753 CE2 PHE 48 -21.942 24.543 -1.798 1.00 21.51 ATOM 754 HE2 PHE 48 -21.675 24.938 -0.829 1.00 1.13 ATOM 755 CZ PHE 48 -23.256 24.579 -2.221 1.00 14.23 ATOM 756 HZ PHE 48 -24.020 25.000 -1.583 1.00 52.51 ATOM 757 C PHE 48 -20.925 20.537 -4.233 1.00 5.41 ATOM 758 O PHE 48 -21.329 20.127 -3.141 1.00 72.24 ATOM 759 N ASN 49 -21.474 20.169 -5.387 1.00 51.15 ATOM 760 HN ASN 49 -21.133 20.559 -6.221 1.00 37.62 ATOM 761 CA ASN 49 -22.575 19.203 -5.451 1.00 15.32 ATOM 762 HA ASN 49 -23.413 19.624 -4.912 1.00 23.21 ATOM 763 CB ASN 49 -22.985 18.969 -6.907 1.00 53.22 ATOM 764 HB1 ASN 49 -23.753 18.209 -6.942 1.00 37.62 ATOM 765 HB2 ASN 49 -22.126 18.630 -7.466 1.00 73.52 ATOM 766 CG ASN 49 -23.522 20.225 -7.572 1.00 25.14 ATOM 767 OD1 ASN 49 -24.167 21.059 -6.942 1.00 24.22 ATOM 768 ND2 ASN 49 -23.255 20.374 -8.854 1.00 61.41 ATOM 769 HD21 ASN 49 -22.730 19.680 -9.303 1.00 62.35 ATOM 770 HD22 ASN 49 -23.591 21.176 -9.301 1.00 51.21 ATOM 771 C ASN 49 -22.183 17.870 -4.794 1.00 75.34 ATOM 772 O ASN 49 -22.959 17.290 -4.029 1.00 4.31 ATOM 773 N GLU 50 -20.972 17.398 -5.094 1.00 40.35 ATOM 774 HN GLU 50 -20.416 17.885 -5.742 1.00 37.62 ATOM 775 CA GLU 50 -20.446 16.173 -4.481 1.00 21.33 ATOM 776 HA GLU 50 -21.113 15.359 -4.736 1.00 71.10 ATOM 777 CB GLU 50 -19.043 15.861 -5.020 1.00 74.40 ATOM 778 HB1 GLU 50 -18.674 14.973 -4.524 1.00 37.62 ATOM 779 HB2 GLU 50 -18.389 16.689 -4.781 1.00 3.14 ATOM 780 CG GLU 50 -18.981 15.627 -6.524 1.00 31.54 ATOM 781 HG1 GLU 50 -19.262 16.539 -7.032 1.00 37.62 ATOM 782 HG2 GLU 50 -19.679 14.842 -6.785 1.00 12.05 ATOM 783 CD GLU 50 -17.589 15.219 -6.981 1.00 55.44 ATOM 784 OE1 GLU 50 -16.768 16.107 -7.292 1.00 74.20 ATOM 785 OE2 GLU 50 -17.304 14.003 -7.007 1.00 21.41 ATOM 786 C GLU 50 -20.379 16.305 -2.954 1.00 60.03 ATOM 787 O GLU 50 -20.803 15.414 -2.224 1.00 35.32 ATOM 788 N LEU 51 -19.848 17.431 -2.490 1.00 53.15 ATOM 789 HN LEU 51 -19.559 18.112 -3.135 1.00 37.62 ATOM 790 CA LEU 51 -19.682 17.702 -1.058 1.00 21.42 ATOM 791 HA LEU 51 -18.977 16.982 -0.663 1.00 44.53 ATOM 792 CB LEU 51 -19.105 19.117 -0.877 1.00 13.23 ATOM 793 HB1 LEU 51 -19.835 19.826 -1.241 1.00 37.62 ATOM 794 HB2 LEU 51 -18.220 19.199 -1.494 1.00 34.11 ATOM 795 CG LEU 51 -18.725 19.517 0.558 1.00 60.42 ATOM 796 HG LEU 51 -19.599 19.435 1.190 1.00 21.30 ATOM 797 CD1 LEU 51 -17.653 18.583 1.119 1.00 1.42 ATOM 798 HD11 LEU 51 -17.406 18.879 2.129 1.00 32.42 ATOM 799 HD12 LEU 51 -16.766 18.638 0.504 1.00 5.12 ATOM 800 HD13 LEU 51 -18.025 17.568 1.123 1.00 53.34 ATOM 801 CD2 LEU 51 -18.253 20.972 0.596 1.00 74.24 ATOM 802 HD21 LEU 51 -19.049 21.620 0.255 1.00 23.13 ATOM 803 HD22 LEU 51 -17.391 21.092 -0.046 1.00 61.23 ATOM 804 HD23 LEU 51 -17.985 21.236 1.609 1.00 11.25 ATOM 805 C LEU 51 -21.014 17.560 -0.298 1.00 73.21 ATOM 806 O LEU 51 -21.073 16.929 0.763 1.00 15.43 ATOM 807 N LEU 52 -22.080 18.134 -0.861 1.00 22.13 ATOM 808 HN LEU 52 -21.962 18.632 -1.701 1.00 37.62 ATOM 809 CA LEU 52 -23.420 18.054 -0.261 1.00 22.31 ATOM 810 HA LEU 52 -23.341 18.385 0.764 1.00 74.05 ATOM 811 CB LEU 52 -24.395 18.981 -1.001 1.00 1.03 ATOM 812 HB1 LEU 52 -25.391 18.799 -0.622 1.00 37.62 ATOM 813 HB2 LEU 52 -24.380 18.720 -2.051 1.00 2.35 ATOM 814 CG LEU 52 -24.103 20.484 -0.873 1.00 72.33 ATOM 815 HG LEU 52 -23.132 20.692 -1.299 1.00 1.12 ATOM 816 CD1 LEU 52 -25.137 21.304 -1.644 1.00 23.34 ATOM 817 HD11 LEU 52 -26.127 21.087 -1.268 1.00 2.12 ATOM 818 HD12 LEU 52 -25.088 21.053 -2.693 1.00 13.12 ATOM 819 HD13 LEU 52 -24.929 22.357 -1.518 1.00 74.35 ATOM 820 CD2 LEU 52 -24.072 20.897 0.597 1.00 62.30 ATOM 821 HD21 LEU 52 -23.864 21.955 0.672 1.00 51.30 ATOM 822 HD22 LEU 52 -23.299 20.344 1.111 1.00 1.33 ATOM 823 HD23 LEU 52 -25.028 20.685 1.053 1.00 23.45 ATOM 824 C LEU 52 -23.978 16.621 -0.269 1.00 14.44 ATOM 825 O LEU 52 -24.767 16.251 0.600 1.00 65.14 ATOM 826 N ALA 53 -23.587 15.829 -1.263 1.00 21.45 ATOM 827 HN ALA 53 -22.966 16.181 -1.935 1.00 37.62 ATOM 828 CA ALA 53 -24.067 14.447 -1.387 1.00 40.25 ATOM 829 HA ALA 53 -25.099 14.425 -1.065 1.00 2.51 ATOM 830 CB ALA 53 -24.024 14.016 -2.847 1.00 54.24 ATOM 831 HB1 ALA 53 -24.585 14.717 -3.446 1.00 4.41 ATOM 832 HB2 ALA 53 -24.458 13.032 -2.948 1.00 70.32 ATOM 833 HB3 ALA 53 -22.998 13.992 -3.187 1.00 42.30 ATOM 834 C ALA 53 -23.258 13.469 -0.517 1.00 72.12 ATOM 835 O ALA 53 -23.804 12.513 0.040 1.00 33.21 ATOM 836 N ARG 54 -21.957 13.723 -0.397 1.00 4.24 ATOM 837 HN ARG 54 -21.598 14.538 -0.805 1.00 37.62 ATOM 838 CA ARG 54 -21.045 12.829 0.327 1.00 10.43 ATOM 839 HA ARG 54 -21.216 11.824 -0.036 1.00 10.33 ATOM 840 CB ARG 54 -19.589 13.214 0.024 1.00 13.03 ATOM 841 HB1 ARG 54 -18.930 12.637 0.655 1.00 37.62 ATOM 842 HB2 ARG 54 -19.458 14.263 0.250 1.00 14.41 ATOM 843 CG ARG 54 -19.186 12.984 -1.432 1.00 24.11 ATOM 844 HG1 ARG 54 -19.826 13.579 -2.069 1.00 37.62 ATOM 845 HG2 ARG 54 -19.316 11.938 -1.671 1.00 24.43 ATOM 846 CD ARG 54 -17.733 13.368 -1.692 1.00 41.32 ATOM 847 HD1 ARG 54 -17.091 12.710 -1.122 1.00 37.62 ATOM 848 HD2 ARG 54 -17.579 14.387 -1.368 1.00 22.22 ATOM 849 NE ARG 54 -17.382 13.261 -3.109 1.00 74.43 ATOM 850 HE ARG 54 -18.111 13.298 -3.759 1.00 4.54 ATOM 851 CZ ARG 54 -16.158 13.149 -3.557 1.00 51.22 ATOM 852 NH1 ARG 54 -15.160 13.030 -2.741 1.00 51.42 ATOM 853 HH11 ARG 54 -15.319 13.017 -1.760 1.00 63.12 ATOM 854 HH12 ARG 54 -14.235 12.950 -3.100 1.00 44.11 ATOM 855 NH2 ARG 54 -15.932 13.129 -4.827 1.00 42.23 ATOM 856 HH21 ARG 54 -16.690 13.201 -5.475 1.00 3.30 ATOM 857 HH22 ARG 54 -14.998 13.047 -5.161 1.00 64.32 ATOM 858 C ARG 54 -21.294 12.843 1.843 1.00 20.35 ATOM 859 O ARG 54 -21.406 11.788 2.470 1.00 42.23 ATOM 860 N TYR 55 -21.371 14.033 2.435 1.00 73.03 ATOM 861 HN TYR 55 -21.282 14.846 1.891 1.00 37.62 ATOM 862 CA TYR 55 -21.602 14.157 3.881 1.00 24.54 ATOM 863 HA TYR 55 -21.106 13.326 4.364 1.00 44.31 ATOM 864 CB TYR 55 -20.990 15.461 4.411 1.00 64.51 ATOM 865 HB1 TYR 55 -21.342 15.636 5.418 1.00 37.62 ATOM 866 HB2 TYR 55 -21.302 16.280 3.780 1.00 73.31 ATOM 867 CG TYR 55 -19.475 15.449 4.443 1.00 22.14 ATOM 868 CD1 TYR 55 -18.792 15.107 5.605 1.00 74.15 ATOM 869 HD1 TYR 55 -19.356 14.853 6.492 1.00 42.43 ATOM 870 CD2 TYR 55 -18.729 15.773 3.315 1.00 63.41 ATOM 871 HD2 TYR 55 -19.242 16.041 2.402 1.00 50.22 ATOM 872 CE1 TYR 55 -17.413 15.093 5.644 1.00 32.21 ATOM 873 HE1 TYR 55 -16.903 14.823 6.558 1.00 24.42 ATOM 874 CE2 TYR 55 -17.346 15.759 3.347 1.00 52.22 ATOM 875 HE2 TYR 55 -16.782 16.009 2.459 1.00 23.34 ATOM 876 CZ TYR 55 -16.694 15.417 4.515 1.00 52.21 ATOM 877 OH TYR 55 -15.317 15.405 4.556 1.00 72.41 ATOM 878 HH TYR 55 -15.018 14.566 4.929 1.00 44.45 ATOM 879 C TYR 55 -23.102 14.095 4.221 1.00 65.41 ATOM 880 O TYR 55 -23.914 14.772 3.592 1.00 25.40 ATOM 881 N PRO 56 -23.490 13.287 5.230 1.00 14.02 ATOM 882 CA PRO 56 -24.901 13.129 5.622 1.00 73.20 ATOM 883 HA PRO 56 -25.530 12.950 4.760 1.00 72.21 ATOM 884 CB PRO 56 -24.876 11.876 6.507 1.00 45.34 ATOM 885 HB1 PRO 56 -25.045 10.996 5.901 1.00 37.62 ATOM 886 HB2 PRO 56 -25.645 11.947 7.265 1.00 53.30 ATOM 887 CG PRO 56 -23.510 11.870 7.107 1.00 42.15 ATOM 888 HG1 PRO 56 -23.212 10.856 7.336 1.00 37.62 ATOM 889 HG2 PRO 56 -23.499 12.474 8.004 1.00 4.32 ATOM 890 CD PRO 56 -22.591 12.464 6.065 1.00 1.45 ATOM 891 HD1 PRO 56 -22.133 11.681 5.475 1.00 37.62 ATOM 892 HD2 PRO 56 -21.832 13.076 6.533 1.00 53.44 ATOM 893 C PRO 56 -25.445 14.343 6.398 1.00 43.43 ATOM 894 O PRO 56 -25.400 14.387 7.631 1.00 42.32 ATOM 895 N LEU 57 -25.946 15.331 5.664 1.00 63.42 ATOM 896 HN LEU 57 -25.957 15.237 4.689 1.00 37.62 ATOM 897 CA LEU 57 -26.475 16.561 6.263 1.00 64.33 ATOM 898 HA LEU 57 -26.185 16.585 7.305 1.00 44.42 ATOM 899 CB LEU 57 -25.876 17.783 5.550 1.00 54.21 ATOM 900 HB1 LEU 57 -26.275 18.672 6.013 1.00 37.62 ATOM 901 HB2 LEU 57 -26.203 17.762 4.516 1.00 70.43 ATOM 902 CG LEU 57 -24.341 17.881 5.562 1.00 32.01 ATOM 903 HG LEU 57 -23.928 16.989 5.114 1.00 62.05 ATOM 904 CD1 LEU 57 -23.871 19.077 4.734 1.00 71.22 ATOM 905 HD11 LEU 57 -24.280 19.990 5.146 1.00 3.32 ATOM 906 HD12 LEU 57 -24.207 18.963 3.713 1.00 21.14 ATOM 907 HD13 LEU 57 -22.791 19.127 4.752 1.00 70.04 ATOM 908 CD2 LEU 57 -23.810 17.980 6.989 1.00 41.23 ATOM 909 HD21 LEU 57 -22.730 18.002 6.968 1.00 12.33 ATOM 910 HD22 LEU 57 -24.141 17.123 7.557 1.00 54.13 ATOM 911 HD23 LEU 57 -24.178 18.883 7.452 1.00 32.31 ATOM 912 C LEU 57 -28.009 16.612 6.169 1.00 72.11 ATOM 913 O LEU 57 -28.615 15.913 5.351 1.00 32.24 ATOM 914 N THR 58 -28.633 17.426 7.016 1.00 62.21 ATOM 915 HN THR 58 -28.113 17.875 7.715 1.00 37.62 ATOM 916 CA THR 58 -30.083 17.666 6.936 1.00 74.22 ATOM 917 HA THR 58 -30.572 16.733 6.690 1.00 15.24 ATOM 918 CB THR 58 -30.658 18.191 8.272 1.00 33.45 ATOM 919 HB THR 58 -31.736 18.244 8.186 1.00 12.42 ATOM 920 OG1 THR 58 -30.151 19.507 8.541 1.00 23.22 ATOM 921 HG1 THR 58 -30.502 19.820 9.385 1.00 0.42 ATOM 922 CG2 THR 58 -30.310 17.256 9.426 1.00 72.40 ATOM 923 HG21 THR 58 -30.725 16.277 9.234 1.00 13.50 ATOM 924 HG22 THR 58 -30.723 17.647 10.344 1.00 55.11 ATOM 925 HG23 THR 58 -29.235 17.180 9.519 1.00 70.24 ATOM 926 C THR 58 -30.392 18.698 5.847 1.00 12.25 ATOM 927 O THR 58 -29.528 19.499 5.485 1.00 45.10 ATOM 928 N GLU 59 -31.624 18.697 5.335 1.00 62.03 ATOM 929 HN GLU 59 -32.283 18.055 5.678 1.00 37.62 ATOM 930 CA GLU 59 -32.020 19.638 4.274 1.00 42.25 ATOM 931 HA GLU 59 -31.466 19.368 3.385 1.00 33.30 ATOM 932 CB GLU 59 -33.522 19.514 3.972 1.00 24.23 ATOM 933 HB1 GLU 59 -33.798 20.275 3.256 1.00 37.62 ATOM 934 HB2 GLU 59 -34.075 19.678 4.887 1.00 72.12 ATOM 935 CG GLU 59 -33.925 18.154 3.407 1.00 60.24 ATOM 936 HG1 GLU 59 -33.734 17.397 4.156 1.00 37.62 ATOM 937 HG2 GLU 59 -33.323 17.947 2.532 1.00 31.12 ATOM 938 CD GLU 59 -35.390 18.093 3.012 1.00 51.35 ATOM 939 OE1 GLU 59 -36.191 17.470 3.742 1.00 62.24 ATOM 940 OE2 GLU 59 -35.752 18.669 1.964 1.00 40.14 ATOM 941 C GLU 59 -31.666 21.092 4.639 1.00 0.43 ATOM 942 O GLU 59 -31.253 21.879 3.779 1.00 12.35 ATOM 943 N SER 60 -31.820 21.436 5.917 1.00 54.52 ATOM 944 HN SER 60 -32.207 20.783 6.538 1.00 37.62 ATOM 945 CA SER 60 -31.436 22.763 6.419 1.00 14.11 ATOM 946 HA SER 60 -31.957 23.501 5.825 1.00 55.53 ATOM 947 CB SER 60 -31.849 22.931 7.890 1.00 32.42 ATOM 948 HB1 SER 60 -31.470 23.872 8.264 1.00 37.62 ATOM 949 HB2 SER 60 -31.433 22.122 8.472 1.00 11.30 ATOM 950 OG SER 60 -33.261 22.916 8.039 1.00 24.33 ATOM 951 HG SER 60 -33.650 23.611 7.488 1.00 32.45 ATOM 952 C SER 60 -29.927 23.002 6.283 1.00 74.52 ATOM 953 O SER 60 -29.494 24.090 5.900 1.00 42.10 ATOM 954 N GLN 61 -29.125 21.980 6.590 1.00 64.12 ATOM 955 HN GLN 61 -29.522 21.129 6.880 1.00 37.62 ATOM 956 CA GLN 61 -27.666 22.095 6.494 1.00 22.23 ATOM 957 HA GLN 61 -27.373 22.963 7.072 1.00 14.21 ATOM 958 CB GLN 61 -26.980 20.857 7.090 1.00 51.12 ATOM 959 HB1 GLN 61 -25.914 20.939 6.927 1.00 37.62 ATOM 960 HB2 GLN 61 -27.345 19.979 6.577 1.00 51.10 ATOM 961 CG GLN 61 -27.222 20.672 8.589 1.00 43.12 ATOM 962 HG1 GLN 61 -28.281 20.537 8.757 1.00 37.62 ATOM 963 HG2 GLN 61 -26.889 21.560 9.107 1.00 50.10 ATOM 964 CD GLN 61 -26.479 19.471 9.159 1.00 52.34 ATOM 965 OE1 GLN 61 -26.982 18.352 9.162 1.00 33.03 ATOM 966 NE2 GLN 61 -25.282 19.697 9.661 1.00 55.04 ATOM 967 HE21 GLN 61 -24.937 20.610 9.643 1.00 22.13 ATOM 968 HE22 GLN 61 -24.791 18.940 10.035 1.00 12.21 ATOM 969 C GLN 61 -27.213 22.312 5.039 1.00 2.52 ATOM 970 O GLN 61 -26.378 23.177 4.772 1.00 41.01 ATOM 971 N LEU 62 -27.766 21.539 4.095 1.00 62.10 ATOM 972 HN LEU 62 -28.386 20.826 4.361 1.00 37.62 ATOM 973 CA LEU 62 -27.455 21.739 2.668 1.00 74.32 ATOM 974 HA LEU 62 -26.387 21.607 2.549 1.00 13.22 ATOM 975 CB LEU 62 -28.183 20.721 1.766 1.00 43.23 ATOM 976 HB1 LEU 62 -28.110 21.067 0.744 1.00 37.62 ATOM 977 HB2 LEU 62 -29.227 20.713 2.046 1.00 15.13 ATOM 978 CG LEU 62 -27.659 19.271 1.817 1.00 55.33 ATOM 979 HG LEU 62 -26.578 19.290 1.838 1.00 52.01 ATOM 980 CD1 LEU 62 -28.131 18.561 3.075 1.00 13.41 ATOM 981 HD11 LEU 62 -27.711 17.565 3.107 1.00 31.00 ATOM 982 HD12 LEU 62 -29.211 18.497 3.071 1.00 41.24 ATOM 983 HD13 LEU 62 -27.807 19.115 3.946 1.00 70.33 ATOM 984 CD2 LEU 62 -28.089 18.494 0.573 1.00 32.11 ATOM 985 HD21 LEU 62 -27.710 17.484 0.631 1.00 4.43 ATOM 986 HD22 LEU 62 -27.692 18.976 -0.309 1.00 3.34 ATOM 987 HD23 LEU 62 -29.169 18.471 0.515 1.00 4.40 ATOM 988 C LEU 62 -27.816 23.164 2.222 1.00 64.41 ATOM 989 O LEU 62 -27.066 23.805 1.482 1.00 22.41 ATOM 990 N ALA 63 -28.971 23.653 2.676 1.00 3.42 ATOM 991 HN ALA 63 -29.550 23.078 3.220 1.00 37.62 ATOM 992 CA ALA 63 -29.401 25.026 2.385 1.00 41.41 ATOM 993 HA ALA 63 -29.447 25.140 1.310 1.00 14.23 ATOM 994 CB ALA 63 -30.797 25.272 2.949 1.00 11.15 ATOM 995 HB1 ALA 63 -31.111 26.278 2.714 1.00 53.45 ATOM 996 HB2 ALA 63 -30.782 25.140 4.023 1.00 33.32 ATOM 997 HB3 ALA 63 -31.490 24.568 2.512 1.00 72.34 ATOM 998 C ALA 63 -28.406 26.050 2.951 1.00 51.13 ATOM 999 O ALA 63 -28.034 27.014 2.275 1.00 21.45 ATOM 1000 N LEU 64 -27.978 25.827 4.193 1.00 31.11 ATOM 1001 HN LEU 64 -28.349 25.070 4.695 1.00 37.62 ATOM 1002 CA LEU 64 -26.973 26.680 4.837 1.00 33.14 ATOM 1003 HA LEU 64 -27.385 27.676 4.918 1.00 2.23 ATOM 1004 CB LEU 64 -26.651 26.156 6.243 1.00 22.45 ATOM 1005 HB1 LEU 64 -26.340 25.125 6.155 1.00 37.62 ATOM 1006 HB2 LEU 64 -27.559 26.189 6.832 1.00 53.42 ATOM 1007 CG LEU 64 -25.553 26.927 6.998 1.00 52.14 ATOM 1008 HG LEU 64 -24.677 26.994 6.369 1.00 30.13 ATOM 1009 CD1 LEU 64 -26.003 28.350 7.312 1.00 70.12 ATOM 1010 HD11 LEU 64 -26.208 28.876 6.390 1.00 3.02 ATOM 1011 HD12 LEU 64 -25.221 28.866 7.852 1.00 44.14 ATOM 1012 HD13 LEU 64 -26.898 28.321 7.916 1.00 61.24 ATOM 1013 CD2 LEU 64 -25.153 26.191 8.274 1.00 31.02 ATOM 1014 HD21 LEU 64 -26.010 26.106 8.928 1.00 41.04 ATOM 1015 HD22 LEU 64 -24.371 26.741 8.778 1.00 53.54 ATOM 1016 HD23 LEU 64 -24.793 25.203 8.025 1.00 54.11 ATOM 1017 C LEU 64 -25.684 26.739 4.004 1.00 13.13 ATOM 1018 O LEU 64 -25.171 27.816 3.714 1.00 35.43 ATOM 1019 N VAL 65 -25.173 25.567 3.625 1.00 64.11 ATOM 1020 HN VAL 65 -25.622 24.742 3.906 1.00 37.62 ATOM 1021 CA VAL 65 -23.961 25.471 2.802 1.00 21.23 ATOM 1022 HA VAL 65 -23.147 25.903 3.368 1.00 74.33 ATOM 1023 CB VAL 65 -23.608 23.990 2.501 1.00 24.15 ATOM 1024 HB VAL 65 -24.433 23.549 1.956 1.00 22.13 ATOM 1025 CG1 VAL 65 -22.359 23.884 1.632 1.00 24.53 ATOM 1026 HG11 VAL 65 -21.526 24.346 2.139 1.00 20.23 ATOM 1027 HG12 VAL 65 -22.531 24.387 0.693 1.00 34.11 ATOM 1028 HG13 VAL 65 -22.135 22.843 1.445 1.00 60.02 ATOM 1029 CG2 VAL 65 -23.425 23.207 3.798 1.00 44.42 ATOM 1030 HG21 VAL 65 -24.335 23.250 4.376 1.00 12.31 ATOM 1031 HG22 VAL 65 -22.617 23.638 4.371 1.00 54.13 ATOM 1032 HG23 VAL 65 -23.193 22.175 3.569 1.00 1.30 ATOM 1033 C VAL 65 -24.109 26.252 1.484 1.00 72.20 ATOM 1034 O VAL 65 -23.158 26.878 1.007 1.00 24.21 ATOM 1035 N ARG 66 -25.307 26.229 0.902 1.00 1.12 ATOM 1036 HN ARG 66 -26.021 25.680 1.294 1.00 37.62 ATOM 1037 CA ARG 66 -25.579 27.006 -0.311 1.00 71.41 ATOM 1038 HA ARG 66 -24.788 26.786 -1.019 1.00 55.25 ATOM 1039 CB ARG 66 -26.920 26.595 -0.934 1.00 63.41 ATOM 1040 HB1 ARG 66 -27.131 27.245 -1.772 1.00 37.62 ATOM 1041 HB2 ARG 66 -27.699 26.714 -0.192 1.00 41.24 ATOM 1042 CG ARG 66 -26.941 25.151 -1.428 1.00 31.21 ATOM 1043 HG1 ARG 66 -26.871 24.493 -0.574 1.00 37.62 ATOM 1044 HG2 ARG 66 -26.090 24.990 -2.075 1.00 15.23 ATOM 1045 CD ARG 66 -28.216 24.825 -2.202 1.00 32.43 ATOM 1046 HD1 ARG 66 -28.285 25.490 -3.053 1.00 37.62 ATOM 1047 HD2 ARG 66 -29.065 24.987 -1.553 1.00 22.12 ATOM 1048 NE ARG 66 -28.237 23.436 -2.672 1.00 70.23 ATOM 1049 HE ARG 66 -28.356 22.737 -1.997 1.00 64.52 ATOM 1050 CZ ARG 66 -28.102 23.069 -3.923 1.00 34.53 ATOM 1051 NH1 ARG 66 -27.992 23.949 -4.865 1.00 4.21 ATOM 1052 HH11 ARG 66 -28.014 24.919 -4.647 1.00 41.23 ATOM 1053 HH12 ARG 66 -27.878 23.647 -5.811 1.00 74.42 ATOM 1054 NH2 ARG 66 -28.104 21.815 -4.235 1.00 24.11 ATOM 1055 HH21 ARG 66 -28.207 21.124 -3.524 1.00 23.52 ATOM 1056 HH22 ARG 66 -28.000 21.542 -5.190 1.00 42.43 ATOM 1057 C ARG 66 -25.559 28.516 -0.022 1.00 14.24 ATOM 1058 O ARG 66 -25.088 29.306 -0.845 1.00 41.31 ATOM 1059 N ASP 67 -26.059 28.914 1.152 1.00 21.13 ATOM 1060 HN ASP 67 -26.470 28.249 1.747 1.00 37.62 ATOM 1061 CA ASP 67 -26.007 30.320 1.575 1.00 54.34 ATOM 1062 HA ASP 67 -26.426 30.920 0.778 1.00 33.32 ATOM 1063 CB ASP 67 -26.841 30.533 2.848 1.00 55.42 ATOM 1064 HB1 ASP 67 -26.403 29.965 3.657 1.00 37.62 ATOM 1065 HB2 ASP 67 -27.848 30.179 2.673 1.00 1.13 ATOM 1066 CG ASP 67 -26.912 31.997 3.261 1.00 4.33 ATOM 1067 OD1 ASP 67 -26.386 32.351 4.338 1.00 61.40 ATOM 1068 OD2 ASP 67 -27.492 32.805 2.503 1.00 65.02 ATOM 1069 C ASP 67 -24.551 30.758 1.806 1.00 2.43 ATOM 1070 O ASP 67 -24.148 31.851 1.403 1.00 4.41 ATOM 1071 N ILE 68 -23.767 29.885 2.442 1.00 43.51 ATOM 1072 HN ILE 68 -24.165 29.059 2.786 1.00 37.62 ATOM 1073 CA ILE 68 -22.333 30.122 2.653 1.00 34.45 ATOM 1074 HA ILE 68 -22.229 31.006 3.266 1.00 65.02 ATOM 1075 CB ILE 68 -21.671 28.929 3.396 1.00 73.22 ATOM 1076 HB ILE 68 -21.846 28.037 2.813 1.00 4.23 ATOM 1077 CG1 ILE 68 -22.306 28.748 4.787 1.00 44.40 ATOM 1078 HG11 ILE 68 -23.373 28.611 4.674 1.00 37.62 ATOM 1079 HG12 ILE 68 -22.125 29.635 5.377 1.00 32.50 ATOM 1080 CG2 ILE 68 -20.157 29.128 3.509 1.00 10.13 ATOM 1081 HG21 ILE 68 -19.730 29.223 2.521 1.00 15.35 ATOM 1082 HG22 ILE 68 -19.716 28.277 4.008 1.00 51.52 ATOM 1083 HG23 ILE 68 -19.951 30.024 4.078 1.00 11.54 ATOM 1084 CD1 ILE 68 -21.770 27.563 5.566 1.00 14.24 ATOM 1085 HD11 ILE 68 -20.709 27.686 5.727 1.00 4.12 ATOM 1086 HD12 ILE 68 -21.947 26.654 5.008 1.00 5.44 ATOM 1087 HD13 ILE 68 -22.273 27.502 6.519 1.00 62.22 ATOM 1088 C ILE 68 -21.610 30.351 1.317 1.00 74.34 ATOM 1089 O ILE 68 -20.822 31.285 1.174 1.00 13.24 ATOM 1090 N ARG 69 -21.893 29.492 0.338 1.00 11.22 ATOM 1091 HN ARG 69 -22.481 28.731 0.534 1.00 37.62 ATOM 1092 CA ARG 69 -21.342 29.640 -1.015 1.00 51.43 ATOM 1093 HA ARG 69 -20.266 29.599 -0.942 1.00 2.21 ATOM 1094 CB ARG 69 -21.829 28.484 -1.903 1.00 62.51 ATOM 1095 HB1 ARG 69 -22.911 28.498 -1.926 1.00 37.62 ATOM 1096 HB2 ARG 69 -21.504 27.550 -1.464 1.00 72.11 ATOM 1097 CG ARG 69 -21.318 28.536 -3.343 1.00 22.43 ATOM 1098 HG1 ARG 69 -20.245 28.410 -3.340 1.00 37.62 ATOM 1099 HG2 ARG 69 -21.569 29.497 -3.771 1.00 45.44 ATOM 1100 CD ARG 69 -21.942 27.436 -4.198 1.00 61.33 ATOM 1101 HD1 ARG 69 -23.018 27.552 -4.181 1.00 37.62 ATOM 1102 HD2 ARG 69 -21.680 26.477 -3.774 1.00 52.13 ATOM 1103 NE ARG 69 -21.480 27.475 -5.587 1.00 74.52 ATOM 1104 HE ARG 69 -20.546 27.729 -5.746 1.00 31.11 ATOM 1105 CZ ARG 69 -22.229 27.188 -6.621 1.00 0.23 ATOM 1106 NH1 ARG 69 -23.467 26.841 -6.466 1.00 33.14 ATOM 1107 HH11 ARG 69 -23.857 26.787 -5.557 1.00 70.54 ATOM 1108 HH12 ARG 69 -24.029 26.635 -7.269 1.00 73.23 ATOM 1109 NH2 ARG 69 -21.740 27.241 -7.817 1.00 62.23 ATOM 1110 HH21 ARG 69 -20.787 27.498 -7.957 1.00 75.24 ATOM 1111 HH22 ARG 69 -22.325 27.026 -8.601 1.00 4.34 ATOM 1112 C ARG 69 -21.751 30.985 -1.643 1.00 14.52 ATOM 1113 O ARG 69 -20.929 31.690 -2.233 1.00 5.43 ATOM 1114 N ARG 70 -23.029 31.333 -1.504 1.00 41.35 ATOM 1115 HN ARG 70 -23.628 30.740 -1.000 1.00 37.62 ATOM 1116 CA ARG 70 -23.577 32.568 -2.078 1.00 11.11 ATOM 1117 HA ARG 70 -23.362 32.560 -3.138 1.00 33.51 ATOM 1118 CB ARG 70 -25.102 32.596 -1.886 1.00 11.42 ATOM 1119 HB1 ARG 70 -25.316 32.591 -0.826 1.00 37.62 ATOM 1120 HB2 ARG 70 -25.521 31.704 -2.327 1.00 63.53 ATOM 1121 CG ARG 70 -25.802 33.806 -2.504 1.00 4.23 ATOM 1122 HG1 ARG 70 -25.419 34.704 -2.041 1.00 37.62 ATOM 1123 HG2 ARG 70 -26.863 33.730 -2.311 1.00 73.52 ATOM 1124 CD ARG 70 -25.580 33.893 -4.011 1.00 24.25 ATOM 1125 HD1 ARG 70 -25.873 32.954 -4.459 1.00 37.62 ATOM 1126 HD2 ARG 70 -24.528 34.066 -4.200 1.00 32.10 ATOM 1127 NE ARG 70 -26.360 34.972 -4.617 1.00 74.23 ATOM 1128 HE ARG 70 -27.259 34.752 -4.936 1.00 11.05 ATOM 1129 CZ ARG 70 -25.936 36.199 -4.767 1.00 52.32 ATOM 1130 NH1 ARG 70 -24.764 36.547 -4.337 1.00 54.52 ATOM 1131 HH11 ARG 70 -24.174 35.878 -3.898 1.00 64.03 ATOM 1132 HH12 ARG 70 -24.470 37.498 -4.421 1.00 43.41 ATOM 1133 NH2 ARG 70 -26.687 37.079 -5.342 1.00 3.20 ATOM 1134 HH21 ARG 70 -27.595 36.824 -5.670 1.00 72.24 ATOM 1135 HH22 ARG 70 -26.353 38.013 -5.466 1.00 40.43 ATOM 1136 C ARG 70 -22.939 33.827 -1.458 1.00 13.32 ATOM 1137 O ARG 70 -22.516 34.737 -2.176 1.00 5.31 ATOM 1138 N ARG 71 -22.875 33.878 -0.128 1.00 11.32 ATOM 1139 HN ARG 71 -23.230 33.128 0.396 1.00 37.62 ATOM 1140 CA ARG 71 -22.296 35.033 0.573 1.00 71.55 ATOM 1141 HA ARG 71 -22.645 35.925 0.069 1.00 31.31 ATOM 1142 CB ARG 71 -22.781 35.076 2.033 1.00 1.21 ATOM 1143 HB1 ARG 71 -23.862 35.077 2.035 1.00 37.62 ATOM 1144 HB2 ARG 71 -22.433 35.993 2.485 1.00 55.21 ATOM 1145 CG ARG 71 -22.301 33.908 2.894 1.00 13.25 ATOM 1146 HG1 ARG 71 -21.227 33.970 3.002 1.00 37.62 ATOM 1147 HG2 ARG 71 -22.558 32.982 2.402 1.00 30.32 ATOM 1148 CD ARG 71 -22.939 33.928 4.280 1.00 31.32 ATOM 1149 HD1 ARG 71 -24.009 33.812 4.170 1.00 37.62 ATOM 1150 HD2 ARG 71 -22.730 34.882 4.745 1.00 20.41 ATOM 1151 NE ARG 71 -22.428 32.865 5.145 1.00 73.12 ATOM 1152 HE ARG 71 -21.485 32.615 5.052 1.00 20.34 ATOM 1153 CZ ARG 71 -23.135 32.255 6.055 1.00 14.44 ATOM 1154 NH1 ARG 71 -24.402 32.482 6.166 1.00 53.52 ATOM 1155 HH11 ARG 71 -24.848 33.122 5.545 1.00 11.23 ATOM 1156 HH12 ARG 71 -24.938 32.011 6.864 1.00 71.22 ATOM 1157 NH2 ARG 71 -22.573 31.382 6.821 1.00 64.14 ATOM 1158 HH21 ARG 71 -21.598 31.182 6.705 1.00 63.13 ATOM 1159 HH22 ARG 71 -23.103 30.912 7.513 1.00 63.31 ATOM 1160 C ARG 71 -20.761 35.018 0.523 1.00 34.04 ATOM 1161 O ARG 71 -20.119 36.069 0.528 1.00 32.13 ATOM 1162 N GLY 72 -20.180 33.824 0.472 1.00 25.10 ATOM 1163 HN GLY 72 -20.738 33.021 0.507 1.00 37.62 ATOM 1164 CA GLY 72 -18.731 33.693 0.378 1.00 64.01 ATOM 1165 HA1 GLY 72 -18.469 32.655 0.525 1.00 37.62 ATOM 1166 HA2 GLY 72 -18.275 34.281 1.161 1.00 5.23 ATOM 1167 C GLY 72 -18.183 34.152 -0.969 1.00 22.32 ATOM 1168 O GLY 72 -17.232 34.931 -1.030 1.00 72.01 ATOM 1169 N LYS 73 -18.791 33.678 -2.058 1.00 40.00 ATOM 1170 HN LYS 73 -19.524 33.033 -1.955 1.00 37.62 ATOM 1171 CA LYS 73 -18.390 34.096 -3.405 1.00 61.22 ATOM 1172 HA LYS 73 -17.318 33.970 -3.482 1.00 73.43 ATOM 1173 CB LYS 73 -19.072 33.214 -4.468 1.00 51.24 ATOM 1174 HB1 LYS 73 -20.138 33.396 -4.441 1.00 37.62 ATOM 1175 HB2 LYS 73 -18.892 32.175 -4.226 1.00 33.32 ATOM 1176 CG LYS 73 -18.582 33.462 -5.895 1.00 24.04 ATOM 1177 HG1 LYS 73 -18.797 34.488 -6.162 1.00 37.62 ATOM 1178 HG2 LYS 73 -19.109 32.801 -6.567 1.00 32.23 ATOM 1179 CD LYS 73 -17.076 33.219 -6.041 1.00 73.52 ATOM 1180 HD1 LYS 73 -16.551 33.849 -5.338 1.00 37.62 ATOM 1181 HD2 LYS 73 -16.780 33.481 -7.046 1.00 50.42 ATOM 1182 CE LYS 73 -16.690 31.762 -5.784 1.00 30.42 ATOM 1183 HE1 LYS 73 -17.019 31.483 -4.793 1.00 37.62 ATOM 1184 HE2 LYS 73 -15.615 31.673 -5.841 1.00 41.14 ATOM 1185 NZ LYS 73 -17.299 30.838 -6.775 1.00 64.44 ATOM 1186 HZ1 LYS 73 -16.975 29.865 -6.601 1.00 44.25 ATOM 1187 HZ2 LYS 73 -17.025 31.115 -7.739 1.00 32.23 ATOM 1188 HZ3 LYS 73 -18.335 30.865 -6.701 1.00 52.31 ATOM 1189 C LYS 73 -18.722 35.585 -3.629 1.00 25.01 ATOM 1190 O LYS 73 -18.076 36.265 -4.429 1.00 23.13 ATOM 1191 N ASN 74 -19.721 36.087 -2.897 1.00 3.31 ATOM 1192 HN ASN 74 -20.247 35.479 -2.334 1.00 37.62 ATOM 1193 CA ASN 74 -20.068 37.517 -2.914 1.00 33.02 ATOM 1194 HA ASN 74 -20.416 37.759 -3.909 1.00 10.12 ATOM 1195 CB ASN 74 -21.193 37.793 -1.906 1.00 61.02 ATOM 1196 HB1 ASN 74 -20.851 37.519 -0.918 1.00 37.62 ATOM 1197 HB2 ASN 74 -22.049 37.188 -2.162 1.00 64.33 ATOM 1198 CG ASN 74 -21.632 39.247 -1.877 1.00 40.32 ATOM 1199 OD1 ASN 74 -21.615 39.941 -2.889 1.00 5.43 ATOM 1200 ND2 ASN 74 -22.023 39.721 -0.711 1.00 71.22 ATOM 1201 HD21 ASN 74 -22.007 39.117 0.065 1.00 13.11 ATOM 1202 HD22 ASN 74 -22.311 40.655 -0.663 1.00 25.54 ATOM 1203 C ASN 74 -18.839 38.388 -2.588 1.00 32.43 ATOM 1204 O ASN 74 -18.704 39.507 -3.087 1.00 35.42 ATOM 1205 N LYS 75 -17.945 37.856 -1.753 1.00 74.34 ATOM 1206 HN LYS 75 -18.143 36.986 -1.342 1.00 37.62 ATOM 1207 CA LYS 75 -16.677 38.520 -1.421 1.00 14.23 ATOM 1208 HA LYS 75 -16.904 39.447 -0.915 1.00 42.42 ATOM 1209 CB LYS 75 -15.862 37.618 -0.481 1.00 3.25 ATOM 1210 HB1 LYS 75 -15.656 36.686 -0.991 1.00 37.62 ATOM 1211 HB2 LYS 75 -16.455 37.405 0.397 1.00 72.35 ATOM 1212 CG LYS 75 -14.533 38.212 -0.024 1.00 75.10 ATOM 1213 HG1 LYS 75 -13.949 38.472 -0.897 1.00 37.62 ATOM 1214 HG2 LYS 75 -14.000 37.472 0.558 1.00 71.23 ATOM 1215 CD LYS 75 -14.730 39.461 0.830 1.00 24.24 ATOM 1216 HD1 LYS 75 -15.372 39.218 1.666 1.00 37.62 ATOM 1217 HD2 LYS 75 -15.195 40.228 0.228 1.00 20.51 ATOM 1218 CE LYS 75 -13.405 39.990 1.362 1.00 75.31 ATOM 1219 HE1 LYS 75 -12.761 40.227 0.527 1.00 37.62 ATOM 1220 HE2 LYS 75 -12.940 39.225 1.967 1.00 53.40 ATOM 1221 NZ LYS 75 -13.591 41.208 2.188 1.00 63.00 ATOM 1222 HZ1 LYS 75 -13.988 41.975 1.610 1.00 50.34 ATOM 1223 HZ2 LYS 75 -12.682 41.519 2.579 1.00 64.43 ATOM 1224 HZ3 LYS 75 -14.243 41.010 2.974 1.00 70.42 ATOM 1225 C LYS 75 -15.860 38.826 -2.693 1.00 35.51 ATOM 1226 O LYS 75 -15.258 39.896 -2.822 1.00 21.01 ATOM 1227 N VAL 76 -15.862 37.878 -3.630 1.00 51.11 ATOM 1228 HN VAL 76 -16.388 37.066 -3.474 1.00 37.62 ATOM 1229 CA VAL 76 -15.110 38.006 -4.888 1.00 64.33 ATOM 1230 HA VAL 76 -14.253 38.639 -4.703 1.00 40.14 ATOM 1231 CB VAL 76 -14.597 36.617 -5.359 1.00 72.53 ATOM 1232 HB VAL 76 -15.456 35.994 -5.565 1.00 1.53 ATOM 1233 CG1 VAL 76 -13.779 36.730 -6.647 1.00 2.14 ATOM 1234 HG11 VAL 76 -12.935 37.384 -6.485 1.00 63.14 ATOM 1235 HG12 VAL 76 -14.402 37.134 -7.433 1.00 65.42 ATOM 1236 HG13 VAL 76 -13.425 35.752 -6.938 1.00 43.13 ATOM 1237 CG2 VAL 76 -13.783 35.944 -4.253 1.00 60.21 ATOM 1238 HG21 VAL 76 -14.400 35.828 -3.373 1.00 73.53 ATOM 1239 HG22 VAL 76 -12.925 36.555 -4.012 1.00 20.20 ATOM 1240 HG23 VAL 76 -13.450 34.972 -4.588 1.00 44.33 ATOM 1241 C VAL 76 -15.966 38.640 -6.004 1.00 74.32 ATOM 1242 O VAL 76 -15.434 39.150 -6.991 1.00 43.14 ATOM 1243 N ALA 77 -17.288 38.624 -5.822 1.00 21.31 ATOM 1244 HN ALA 77 -17.637 38.284 -4.972 1.00 37.62 ATOM 1245 CA ALA 77 -18.247 39.087 -6.844 1.00 3.10 ATOM 1246 HA ALA 77 -18.296 38.325 -7.607 1.00 62.00 ATOM 1247 CB ALA 77 -19.637 39.214 -6.231 1.00 53.34 ATOM 1248 HB1 ALA 77 -20.348 39.487 -6.998 1.00 41.31 ATOM 1249 HB2 ALA 77 -19.626 39.976 -5.463 1.00 14.45 ATOM 1250 HB3 ALA 77 -19.926 38.268 -5.792 1.00 32.13 ATOM 1251 C ALA 77 -17.841 40.418 -7.509 1.00 25.54 ATOM 1252 O ALA 77 -17.892 40.544 -8.735 1.00 4.01 ATOM 1253 N ALA 78 -17.441 41.404 -6.703 1.00 1.45 ATOM 1254 HN ALA 78 -17.440 41.255 -5.733 1.00 37.62 ATOM 1255 CA ALA 78 -17.021 42.714 -7.226 1.00 62.43 ATOM 1256 HA ALA 78 -17.860 43.139 -7.762 1.00 52.23 ATOM 1257 CB ALA 78 -16.674 43.653 -6.078 1.00 62.42 ATOM 1258 HB1 ALA 78 -15.819 43.267 -5.541 1.00 0.42 ATOM 1259 HB2 ALA 78 -17.516 43.729 -5.405 1.00 31.15 ATOM 1260 HB3 ALA 78 -16.439 44.633 -6.469 1.00 50.52 ATOM 1261 C ALA 78 -15.826 42.596 -8.190 1.00 44.20 ATOM 1262 O ALA 78 -15.758 43.297 -9.204 1.00 24.34 ATOM 1263 N GLN 79 -14.892 41.703 -7.869 1.00 54.05 ATOM 1264 HN GLN 79 -15.010 41.164 -7.059 1.00 37.62 ATOM 1265 CA GLN 79 -13.691 41.500 -8.692 1.00 13.43 ATOM 1266 HA GLN 79 -13.379 42.466 -9.061 1.00 2.33 ATOM 1267 CB GLN 79 -12.560 40.905 -7.842 1.00 11.15 ATOM 1268 HB1 GLN 79 -11.662 40.857 -8.442 1.00 37.62 ATOM 1269 HB2 GLN 79 -12.836 39.902 -7.547 1.00 62.44 ATOM 1270 CG GLN 79 -12.247 41.704 -6.578 1.00 1.30 ATOM 1271 HG1 GLN 79 -11.406 41.246 -6.079 1.00 37.62 ATOM 1272 HG2 GLN 79 -13.108 41.672 -5.926 1.00 32.42 ATOM 1273 CD GLN 79 -11.912 43.160 -6.864 1.00 61.23 ATOM 1274 OE1 GLN 79 -12.788 44.019 -6.885 1.00 63.24 ATOM 1275 NE2 GLN 79 -10.648 43.454 -7.088 1.00 75.02 ATOM 1276 HE21 GLN 79 -9.990 42.729 -7.060 1.00 2.14 ATOM 1277 HE22 GLN 79 -10.422 44.387 -7.275 1.00 41.22 ATOM 1278 C GLN 79 -13.981 40.586 -9.895 1.00 12.34 ATOM 1279 O GLN 79 -13.394 40.744 -10.966 1.00 3.32 ATOM 1280 N ASN 80 -14.886 39.629 -9.703 1.00 74.24 ATOM 1281 HN ASN 80 -15.290 39.533 -8.816 1.00 37.62 ATOM 1282 CA ASN 80 -15.294 38.709 -10.772 1.00 44.44 ATOM 1283 HA ASN 80 -14.403 38.405 -11.305 1.00 22.31 ATOM 1284 CB ASN 80 -15.952 37.466 -10.153 1.00 12.32 ATOM 1285 HB1 ASN 80 -16.821 37.774 -9.585 1.00 37.62 ATOM 1286 HB2 ASN 80 -15.248 36.991 -9.485 1.00 3.40 ATOM 1287 CG ASN 80 -16.391 36.446 -11.189 1.00 60.11 ATOM 1288 OD1 ASN 80 -15.616 35.595 -11.613 1.00 44.21 ATOM 1289 ND2 ASN 80 -17.640 36.517 -11.598 1.00 54.31 ATOM 1290 HD21 ASN 80 -18.212 37.218 -11.220 1.00 62.20 ATOM 1291 HD22 ASN 80 -17.949 35.863 -12.255 1.00 53.45 ATOM 1292 C ASN 80 -16.251 39.402 -11.763 1.00 31.04 ATOM 1293 O ASN 80 -16.445 38.937 -12.888 1.00 23.33 ATOM 1294 N TYR 81 -16.838 40.520 -11.333 1.00 12.11 ATOM 1295 HN TYR 81 -16.661 40.821 -10.419 1.00 37.62 ATOM 1296 CA TYR 81 -17.747 41.310 -12.174 1.00 15.41 ATOM 1297 HA TYR 81 -18.583 40.679 -12.445 1.00 3.23 ATOM 1298 CB TYR 81 -18.265 42.511 -11.365 1.00 23.24 ATOM 1299 HB1 TYR 81 -17.477 43.249 -11.287 1.00 37.62 ATOM 1300 HB2 TYR 81 -18.528 42.176 -10.372 1.00 21.24 ATOM 1301 CG TYR 81 -19.484 43.189 -11.960 1.00 12.31 ATOM 1302 CD1 TYR 81 -20.751 42.638 -11.803 1.00 42.30 ATOM 1303 HD1 TYR 81 -20.857 41.714 -11.252 1.00 23.01 ATOM 1304 CD2 TYR 81 -19.372 44.378 -12.673 1.00 50.12 ATOM 1305 HD2 TYR 81 -18.394 44.820 -12.806 1.00 62.43 ATOM 1306 CE1 TYR 81 -21.868 43.251 -12.333 1.00 53.55 ATOM 1307 HE1 TYR 81 -22.843 42.806 -12.199 1.00 11.45 ATOM 1308 CE2 TYR 81 -20.485 44.998 -13.208 1.00 0.44 ATOM 1309 HE2 TYR 81 -20.375 45.920 -13.760 1.00 0.01 ATOM 1310 CZ TYR 81 -21.730 44.429 -13.036 1.00 1.42 ATOM 1311 OH TYR 81 -22.846 45.040 -13.567 1.00 51.43 ATOM 1312 HH TYR 81 -23.501 45.166 -12.864 1.00 55.53 ATOM 1313 C TYR 81 -17.043 41.792 -13.461 1.00 44.40 ATOM 1314 O TYR 81 -15.813 41.876 -13.506 1.00 11.15 ATOM 1315 N ARG 82 -17.831 42.105 -14.498 1.00 21.42 ATOM 1316 HN ARG 82 -18.806 42.036 -14.388 1.00 37.62 ATOM 1317 CA ARG 82 -17.298 42.538 -15.807 1.00 42.50 ATOM 1318 HA ARG 82 -18.142 42.889 -16.384 1.00 55.00 ATOM 1319 CB ARG 82 -16.299 43.703 -15.652 1.00 3.12 ATOM 1320 HB1 ARG 82 -15.769 43.835 -16.584 1.00 37.62 ATOM 1321 HB2 ARG 82 -15.586 43.452 -14.879 1.00 63.45 ATOM 1322 CG ARG 82 -16.953 45.029 -15.286 1.00 30.22 ATOM 1323 HG1 ARG 82 -16.182 45.770 -15.127 1.00 37.62 ATOM 1324 HG2 ARG 82 -17.524 44.903 -14.377 1.00 14.45 ATOM 1325 CD ARG 82 -17.885 45.517 -16.390 1.00 10.31 ATOM 1326 HD1 ARG 82 -18.673 44.789 -16.528 1.00 37.62 ATOM 1327 HD2 ARG 82 -17.320 45.610 -17.307 1.00 71.43 ATOM 1328 NE ARG 82 -18.487 46.810 -16.069 1.00 53.42 ATOM 1329 HE ARG 82 -18.518 47.075 -15.128 1.00 62.12 ATOM 1330 CZ ARG 82 -18.972 47.635 -16.955 1.00 53.13 ATOM 1331 NH1 ARG 82 -18.977 47.324 -18.213 1.00 42.22 ATOM 1332 HH11 ARG 82 -18.612 46.448 -18.510 1.00 72.24 ATOM 1333 HH12 ARG 82 -19.339 47.970 -18.881 1.00 63.23 ATOM 1334 NH2 ARG 82 -19.466 48.770 -16.577 1.00 5.34 ATOM 1335 HH21 ARG 82 -19.479 49.008 -15.607 1.00 23.33 ATOM 1336 HH22 ARG 82 -19.815 49.411 -17.255 1.00 52.31 ATOM 1337 C ARG 82 -16.654 41.377 -16.583 1.00 2.25 ATOM 1338 O ARG 82 -15.875 41.592 -17.515 1.00 34.01 ATOM 1339 N LYS 83 -17.005 40.150 -16.213 1.00 43.14 ATOM 1340 HN LYS 83 -17.579 40.037 -15.425 1.00 37.62 ATOM 1341 CA LYS 83 -16.565 38.961 -16.947 1.00 41.12 ATOM 1342 HA LYS 83 -15.651 39.212 -17.472 1.00 22.53 ATOM 1343 CB LYS 83 -16.277 37.811 -15.967 1.00 54.24 ATOM 1344 HB1 LYS 83 -17.196 37.534 -15.472 1.00 37.62 ATOM 1345 HB2 LYS 83 -15.573 38.160 -15.222 1.00 40.31 ATOM 1346 CG LYS 83 -15.693 36.564 -16.626 1.00 3.33 ATOM 1347 HG1 LYS 83 -14.846 36.854 -17.233 1.00 37.62 ATOM 1348 HG2 LYS 83 -16.448 36.114 -17.256 1.00 40.15 ATOM 1349 CD LYS 83 -15.232 35.534 -15.593 1.00 61.12 ATOM 1350 HD1 LYS 83 -14.519 36.003 -14.927 1.00 37.62 ATOM 1351 HD2 LYS 83 -14.754 34.713 -16.107 1.00 62.13 ATOM 1352 CE LYS 83 -16.389 34.983 -14.768 1.00 50.43 ATOM 1353 HE1 LYS 83 -17.074 34.467 -15.426 1.00 37.62 ATOM 1354 HE2 LYS 83 -16.901 35.805 -14.289 1.00 4.04 ATOM 1355 NZ LYS 83 -15.917 34.035 -13.721 1.00 13.42 ATOM 1356 HZ1 LYS 83 -15.331 33.290 -14.148 1.00 70.41 ATOM 1357 HZ2 LYS 83 -16.726 33.590 -13.248 1.00 3.13 ATOM 1358 HZ3 LYS 83 -15.353 34.537 -13.008 1.00 23.53 ATOM 1359 C LYS 83 -17.632 38.549 -17.981 1.00 71.54 ATOM 1360 O LYS 83 -18.787 38.294 -17.629 1.00 53.14 ATOM 1361 N ARG 84 -17.248 38.517 -19.256 1.00 52.11 ATOM 1362 HN ARG 84 -16.307 38.695 -19.472 1.00 37.62 ATOM 1363 CA ARG 84 -18.186 38.221 -20.349 1.00 71.14 ATOM 1364 HA ARG 84 -19.183 38.457 -20.007 1.00 20.25 ATOM 1365 CB ARG 84 -17.863 39.099 -21.567 1.00 63.52 ATOM 1366 HB1 ARG 84 -18.451 38.757 -22.407 1.00 37.62 ATOM 1367 HB2 ARG 84 -16.815 38.982 -21.807 1.00 4.11 ATOM 1368 CG ARG 84 -18.142 40.586 -21.365 1.00 32.13 ATOM 1369 HG1 ARG 84 -17.586 40.937 -20.507 1.00 37.62 ATOM 1370 HG2 ARG 84 -19.200 40.724 -21.191 1.00 43.22 ATOM 1371 CD ARG 84 -17.732 41.397 -22.590 1.00 54.02 ATOM 1372 HD1 ARG 84 -18.148 40.929 -23.471 1.00 37.62 ATOM 1373 HD2 ARG 84 -16.652 41.395 -22.662 1.00 21.43 ATOM 1374 NE ARG 84 -18.200 42.781 -22.525 1.00 55.22 ATOM 1375 HE ARG 84 -19.136 42.932 -22.279 1.00 52.21 ATOM 1376 CZ ARG 84 -17.462 43.820 -22.815 1.00 75.10 ATOM 1377 NH1 ARG 84 -16.209 43.676 -23.110 1.00 72.41 ATOM 1378 HH11 ARG 84 -15.801 42.771 -23.117 1.00 61.23 ATOM 1379 HH12 ARG 84 -15.654 44.477 -23.323 1.00 51.12 ATOM 1380 NH2 ARG 84 -17.977 45.004 -22.804 1.00 0.32 ATOM 1381 HH21 ARG 84 -18.939 45.123 -22.575 1.00 20.53 ATOM 1382 HH22 ARG 84 -17.415 45.795 -23.043 1.00 23.34 ATOM 1383 C ARG 84 -18.147 36.743 -20.773 1.00 21.52 ATOM 1384 O ARG 84 -17.280 35.976 -20.346 1.00 50.32 ATOM 1385 N LYS 85 -19.102 36.357 -21.618 1.00 13.11 ATOM 1386 HN LYS 85 -19.834 36.977 -21.823 1.00 37.62 ATOM 1387 CA LYS 85 -19.101 35.033 -22.247 1.00 53.20 ATOM 1388 HA LYS 85 -18.570 34.348 -21.598 1.00 52.41 ATOM 1389 CB LYS 85 -20.536 34.533 -22.443 1.00 73.14 ATOM 1390 HB1 LYS 85 -20.500 33.542 -22.874 1.00 37.62 ATOM 1391 HB2 LYS 85 -21.041 35.193 -23.135 1.00 4.04 ATOM 1392 CG LYS 85 -21.367 34.462 -21.167 1.00 41.14 ATOM 1393 HG1 LYS 85 -21.483 35.461 -20.766 1.00 37.62 ATOM 1394 HG2 LYS 85 -20.853 33.841 -20.446 1.00 22.31 ATOM 1395 CD LYS 85 -22.749 33.870 -21.437 1.00 24.53 ATOM 1396 HD1 LYS 85 -23.315 33.868 -20.515 1.00 37.62 ATOM 1397 HD2 LYS 85 -22.632 32.853 -21.788 1.00 33.42 ATOM 1398 CE LYS 85 -23.516 34.670 -22.490 1.00 54.20 ATOM 1399 HE1 LYS 85 -22.896 34.782 -23.368 1.00 37.62 ATOM 1400 HE2 LYS 85 -23.748 35.647 -22.089 1.00 31.14 ATOM 1401 NZ LYS 85 -24.785 34.001 -22.884 1.00 34.34 ATOM 1402 HZ1 LYS 85 -25.391 33.856 -22.052 1.00 2.24 ATOM 1403 HZ2 LYS 85 -24.585 33.076 -23.316 1.00 64.41 ATOM 1404 HZ3 LYS 85 -25.299 34.585 -23.575 1.00 70.53 ATOM 1405 C LYS 85 -18.384 35.095 -23.609 1.00 50.03 ATOM 1406 O LYS 85 -18.911 35.660 -24.572 1.00 14.52 ATOM 1407 N LEU 86 -17.183 34.526 -23.687 1.00 32.41 ATOM 1408 HN LEU 86 -16.841 34.030 -22.913 1.00 37.62 ATOM 1409 CA LEU 86 -16.360 34.619 -24.901 1.00 54.13 ATOM 1410 HA LEU 86 -16.741 35.439 -25.497 1.00 55.10 ATOM 1411 CB LEU 86 -14.902 34.928 -24.523 1.00 3.32 ATOM 1412 HB1 LEU 86 -14.334 35.047 -25.434 1.00 37.62 ATOM 1413 HB2 LEU 86 -14.506 34.079 -23.982 1.00 53.21 ATOM 1414 CG LEU 86 -14.697 36.188 -23.661 1.00 70.41 ATOM 1415 HG LEU 86 -15.224 36.060 -22.725 1.00 22.35 ATOM 1416 CD1 LEU 86 -13.218 36.388 -23.337 1.00 55.40 ATOM 1417 HD11 LEU 86 -13.099 37.281 -22.739 1.00 73.34 ATOM 1418 HD12 LEU 86 -12.657 36.493 -24.255 1.00 43.24 ATOM 1419 HD13 LEU 86 -12.849 35.534 -22.786 1.00 24.41 ATOM 1420 CD2 LEU 86 -15.269 37.422 -24.361 1.00 44.45 ATOM 1421 HD21 LEU 86 -14.786 37.553 -25.320 1.00 54.30 ATOM 1422 HD22 LEU 86 -15.099 38.297 -23.751 1.00 52.23 ATOM 1423 HD23 LEU 86 -16.331 37.291 -24.509 1.00 12.44 ATOM 1424 C LEU 86 -16.427 33.335 -25.748 1.00 44.14 ATOM 1425 O LEU 86 -15.464 32.563 -25.810 1.00 43.51 ATOM 1426 N GLU 87 -17.568 33.104 -26.391 1.00 24.42 ATOM 1427 HN GLU 87 -18.325 33.713 -26.247 1.00 37.62 ATOM 1428 CA GLU 87 -17.729 31.952 -27.290 1.00 62.45 ATOM 1429 HA GLU 87 -17.155 31.134 -26.875 1.00 61.33 ATOM 1430 CB GLU 87 -19.203 31.519 -27.384 1.00 75.20 ATOM 1431 HB1 GLU 87 -19.305 30.809 -28.192 1.00 37.62 ATOM 1432 HB2 GLU 87 -19.806 32.388 -27.609 1.00 43.12 ATOM 1433 CG GLU 87 -19.758 30.873 -26.114 1.00 34.20 ATOM 1434 HG1 GLU 87 -19.102 30.064 -25.820 1.00 37.62 ATOM 1435 HG2 GLU 87 -20.737 30.470 -26.332 1.00 4.41 ATOM 1436 CD GLU 87 -19.884 31.847 -24.955 1.00 65.34 ATOM 1437 OE1 GLU 87 -20.846 32.643 -24.955 1.00 21.22 ATOM 1438 OE2 GLU 87 -19.024 31.817 -24.046 1.00 3.42 ATOM 1439 C GLU 87 -17.190 32.253 -28.698 1.00 31.14 ATOM 1440 O GLU 87 -17.231 33.394 -29.168 1.00 72.20 ATOM 1441 N THR 88 -16.695 31.217 -29.369 1.00 40.32 ATOM 1442 HN THR 88 -16.715 30.329 -28.948 1.00 37.62 ATOM 1443 CA THR 88 -16.123 31.351 -30.716 1.00 14.14 ATOM 1444 HA THR 88 -16.503 32.266 -31.153 1.00 20.01 ATOM 1445 CB THR 88 -14.578 31.446 -30.660 1.00 23.12 ATOM 1446 HB THR 88 -14.310 32.329 -30.096 1.00 0.11 ATOM 1447 OG1 THR 88 -14.035 31.563 -31.985 1.00 50.25 ATOM 1448 HG1 THR 88 -13.776 32.478 -32.146 1.00 52.25 ATOM 1449 CG2 THR 88 -13.975 30.229 -29.967 1.00 35.30 ATOM 1450 HG21 THR 88 -14.358 30.159 -28.957 1.00 13.33 ATOM 1451 HG22 THR 88 -12.898 30.326 -29.937 1.00 75.12 ATOM 1452 HG23 THR 88 -14.240 29.336 -30.514 1.00 72.13 ATOM 1453 C THR 88 -16.531 30.171 -31.616 1.00 13.44 ATOM 1454 O THR 88 -17.229 29.255 -31.177 1.00 45.42 ATOM 1455 N ILE 89 -16.102 30.201 -32.876 1.00 34.40 ATOM 1456 HN ILE 89 -15.533 30.946 -33.164 1.00 37.62 ATOM 1457 CA ILE 89 -16.437 29.143 -33.841 1.00 0.13 ATOM 1458 HA ILE 89 -17.493 28.930 -33.748 1.00 71.23 ATOM 1459 CB ILE 89 -16.161 29.607 -35.298 1.00 63.23 ATOM 1460 HB ILE 89 -15.103 29.816 -35.391 1.00 2.42 ATOM 1461 CG1 ILE 89 -16.949 30.892 -35.610 1.00 51.22 ATOM 1462 HG11 ILE 89 -16.737 31.197 -36.625 1.00 37.62 ATOM 1463 HG12 ILE 89 -16.632 31.672 -34.934 1.00 20.32 ATOM 1464 CG2 ILE 89 -16.511 28.504 -36.302 1.00 42.13 ATOM 1465 HG21 ILE 89 -15.924 27.623 -36.089 1.00 31.43 ATOM 1466 HG22 ILE 89 -16.293 28.844 -37.304 1.00 33.22 ATOM 1467 HG23 ILE 89 -17.562 28.266 -36.223 1.00 51.10 ATOM 1468 CD1 ILE 89 -18.453 30.747 -35.471 1.00 44.43 ATOM 1469 HD11 ILE 89 -18.929 31.682 -35.729 1.00 61.12 ATOM 1470 HD12 ILE 89 -18.699 30.489 -34.451 1.00 65.43 ATOM 1471 HD13 ILE 89 -18.807 29.970 -36.134 1.00 62.22 ATOM 1472 C ILE 89 -15.643 27.858 -33.557 1.00 12.31 ATOM 1473 O ILE 89 -14.458 27.912 -33.214 1.00 22.25 ATOM 1474 N VAL 90 -16.300 26.707 -33.695 1.00 31.01 ATOM 1475 HN VAL 90 -17.242 26.727 -33.959 1.00 37.62 ATOM 1476 CA VAL 90 -15.650 25.412 -33.462 1.00 73.40 ATOM 1477 HA VAL 90 -14.615 25.505 -33.767 1.00 64.24 ATOM 1478 CB VAL 90 -15.672 25.034 -31.954 1.00 24.22 ATOM 1479 HB VAL 90 -15.158 25.813 -31.409 1.00 35.43 ATOM 1480 CG1 VAL 90 -17.103 24.964 -31.420 1.00 23.24 ATOM 1481 HG11 VAL 90 -17.660 24.223 -31.975 1.00 4.03 ATOM 1482 HG12 VAL 90 -17.578 25.928 -31.531 1.00 71.11 ATOM 1483 HG13 VAL 90 -17.086 24.690 -30.375 1.00 3.44 ATOM 1484 CG2 VAL 90 -14.927 23.719 -31.708 1.00 44.14 ATOM 1485 HG21 VAL 90 -13.913 23.803 -32.075 1.00 23.35 ATOM 1486 HG22 VAL 90 -15.431 22.912 -32.224 1.00 1.33 ATOM 1487 HG23 VAL 90 -14.908 23.511 -30.649 1.00 64.34 ATOM 1488 C VAL 90 -16.302 24.289 -34.289 1.00 21.41 ATOM 1489 O VAL 90 -17.527 24.150 -34.314 1.00 74.44 ATOM 1490 N GLN 91 -15.472 23.502 -34.972 1.00 2.33 ATOM 1491 HN GLN 91 -14.509 23.695 -34.942 1.00 37.62 ATOM 1492 HA GLN 91 -16.876 22.676 -36.252 1.00 64.04 ATOM 1493 CB GLN 91 -14.929 22.037 -36.888 1.00 23.30 ATOM 1494 HB1 GLN 91 -13.967 21.856 -36.426 1.00 37.62 ATOM 1495 HB2 GLN 91 -14.841 22.890 -37.544 1.00 63.23 ATOM 1496 CG GLN 91 -15.284 20.817 -37.741 1.00 72.12 ATOM 1497 HG1 GLN 91 -15.300 19.942 -37.104 1.00 37.62 ATOM 1498 HG2 GLN 91 -14.523 20.691 -38.496 1.00 34.03 ATOM 1499 CD GLN 91 -16.635 20.937 -38.435 1.00 2.14 ATOM 1500 OE1 GLN 91 -16.739 21.443 -39.550 1.00 4.33 ATOM 1501 NE2 GLN 91 -17.678 20.463 -37.787 1.00 52.32 ATOM 1502 HE21 GLN 91 -17.531 20.065 -36.905 1.00 60.33 ATOM 1503 HE22 GLN 91 -18.557 20.528 -38.215 1.00 1.04 ATOM 1504 CA GLN 91 -15.951 22.367 -35.783 1.00 14.11 ATOM 1505 C GLN 91 -16.233 21.120 -34.917 1.00 3.13 ATOM 1506 OT1 GLN 91 -15.277 20.559 -34.331 1.00 37.62 ATOM 1507 OT2 GLN 91 -17.411 20.697 -34.837 1.00 37.62 ATOM 1508 OH2 TIP3 1 -30.494 14.615 -5.779 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -29.673 14.380 -5.282 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -30.661 13.827 -6.347 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -33.687 14.062 0.123 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -32.823 14.165 -0.328 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -33.451 13.810 1.036 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -33.480 17.197 -6.913 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -33.669 17.088 -5.953 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -34.274 16.872 -7.346 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -38.718 15.491 1.037 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -37.851 15.511 0.597 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -38.824 16.395 1.398 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -35.888 14.969 2.693 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -36.008 15.851 3.117 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -35.986 15.149 1.733 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -27.797 13.602 1.276 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -27.234 14.324 1.636 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -28.506 13.503 1.945 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -31.831 17.305 -0.297 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -31.668 16.342 -0.351 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -32.812 17.379 -0.263 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -31.619 15.749 -3.577 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -32.509 16.089 -3.824 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -31.299 15.303 -4.395 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -28.722 11.197 4.504 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -29.668 10.945 4.583 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -28.752 12.135 4.223 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -28.554 14.009 -1.444 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -28.445 14.968 -1.437 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -28.211 13.722 -0.570 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -36.083 15.283 -0.011 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -36.621 14.930 -0.761 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -35.246 14.755 -0.045 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -37.599 13.681 5.849 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -37.915 13.731 4.911 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -38.350 13.318 6.329 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -36.098 14.889 -4.144 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -36.971 15.307 -4.296 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -36.252 14.284 -3.406 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -38.308 13.885 3.278 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -38.811 14.315 2.560 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -37.374 14.088 3.065 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -33.560 13.586 2.928 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -34.428 14.054 2.935 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -33.789 12.654 3.128 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -34.079 16.703 -4.310 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -34.784 16.012 -4.272 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -34.423 17.427 -3.742 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -30.786 17.012 -7.042 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -31.764 17.156 -7.057 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -30.682 16.136 -6.599 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -31.295 14.666 -1.088 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -30.434 14.209 -1.147 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -31.475 14.957 -2.012 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -34.989 12.784 5.884 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -34.520 13.364 6.508 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -35.920 13.096 5.919 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -31.741 13.952 4.908 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.292 14.243 5.661 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -32.361 13.970 4.136 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -29.174 17.266 -9.211 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -29.813 17.131 -9.921 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -29.700 17.124 -8.387 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -37.883 14.523 -1.851 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -38.170 15.090 -2.603 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -38.705 14.297 -1.399 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -38.529 16.120 -3.950 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -39.502 16.140 -4.076 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -38.276 17.073 -3.877 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -34.155 11.084 3.957 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -34.482 11.627 4.717 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -34.849 10.429 3.819 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -26.978 15.845 -10.138 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -27.770 16.291 -9.778 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -26.250 16.153 -9.564 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -37.945 19.312 4.748 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -37.765 20.044 4.121 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -37.291 18.620 4.501 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -29.244 13.854 3.667 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -28.797 14.652 4.009 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -30.172 13.959 3.958 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -31.878 11.786 7.428 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -31.868 11.307 6.576 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -31.106 11.426 7.912 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -31.474 11.208 4.749 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -32.300 10.897 4.325 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -31.551 12.182 4.730 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -30.649 12.385 -7.337 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -29.710 12.250 -7.591 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -31.091 11.585 -7.631 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -24.652 10.412 -7.397 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -24.957 10.870 -8.199 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -25.468 10.051 -7.001 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -26.294 12.359 -5.442 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -26.536 11.444 -5.707 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -25.699 12.230 -4.680 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -27.583 10.053 6.858 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -26.924 9.366 6.602 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -27.899 10.409 6.002 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -25.692 8.195 6.095 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -25.817 7.260 6.280 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -25.067 8.207 5.341 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -29.554 21.314 -1.277 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -29.106 20.516 -1.614 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.358 20.968 -0.837 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -38.592 17.960 2.259 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -38.993 18.282 3.080 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -37.637 17.876 2.479 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -40.795 21.496 1.498 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -40.901 20.563 1.709 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -40.906 21.947 2.343 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -40.046 23.109 5.686 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -39.942 24.047 5.509 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -39.127 22.781 5.799 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -41.254 15.952 -4.033 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -41.900 16.600 -3.736 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -41.784 15.230 -4.383 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -37.626 18.650 -3.551 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -37.909 19.528 -3.254 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -36.677 18.613 -3.310 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -29.875 17.434 -2.303 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -30.474 17.517 -1.535 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -30.360 16.842 -2.917 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -33.210 15.227 12.811 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -32.702 14.424 13.076 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -34.129 15.039 13.106 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -36.579 18.363 13.658 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -35.935 18.476 12.929 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -37.232 17.743 13.296 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -33.777 19.337 15.754 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -34.444 18.855 16.257 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -33.592 18.758 14.981 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -30.816 12.679 10.602 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -30.386 12.099 9.941 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -31.569 13.070 10.124 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -33.291 14.273 10.198 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -33.077 14.853 10.961 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -34.053 13.764 10.499 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -28.887 14.553 11.286 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -29.614 13.906 11.232 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -28.361 14.386 10.474 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -31.770 12.952 13.159 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -31.297 12.368 13.756 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.380 12.763 12.278 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -36.294 16.150 6.159 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -36.795 15.319 6.031 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -36.366 16.612 5.292 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -35.866 15.016 13.427 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -36.414 15.558 12.824 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -36.424 14.883 14.199 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -37.648 16.535 11.763 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -37.336 16.957 10.931 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -38.546 16.256 11.562 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -30.534 19.122 18.117 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -30.966 18.356 18.513 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -29.827 18.733 17.548 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -33.713 16.878 6.743 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -34.652 16.714 6.496 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -33.401 16.013 7.068 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -33.041 14.220 7.466 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -33.143 14.423 8.426 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -32.648 13.312 7.459 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -29.402 11.393 8.429 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -28.834 10.718 7.997 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -29.187 12.219 7.954 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -37.017 17.735 9.265 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -37.507 18.480 8.852 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -36.736 17.194 8.511 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -24.947 14.336 18.902 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -25.136 13.522 19.381 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -25.372 15.042 19.447 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -28.492 18.183 16.562 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -28.505 18.858 15.838 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -28.148 17.387 16.134 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -27.692 13.961 8.928 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -28.239 13.930 8.120 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -26.787 14.138 8.600 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -26.480 10.611 9.453 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -26.740 10.367 8.544 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -27.191 11.193 9.753 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -33.203 17.861 13.490 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -32.998 16.907 13.345 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -33.855 18.069 12.787 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -34.927 21.395 9.268 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -34.614 21.260 10.182 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -34.174 21.852 8.819 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -31.104 20.975 10.898 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -31.120 20.538 11.776 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -31.596 21.804 11.038 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -27.450 36.274 -10.729 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -28.294 36.759 -10.585 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -26.997 36.333 -9.875 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -28.189 41.736 -9.624 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -27.995 42.623 -9.979 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -28.862 41.376 -10.238 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -27.425 32.954 -19.640 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -28.248 32.464 -19.431 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -26.867 32.825 -18.841 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -26.345 39.418 -14.546 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -27.066 39.997 -14.242 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -26.563 38.541 -14.167 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -30.096 28.619 -7.442 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -30.833 28.929 -7.985 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -30.435 28.686 -6.521 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -26.031 33.577 -25.196 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -25.548 32.962 -25.763 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -26.820 33.817 -25.717 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -29.031 31.095 -18.384 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -28.392 30.379 -18.576 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -29.039 31.154 -17.426 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -25.024 16.668 -8.402 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -24.091 16.682 -8.132 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -25.387 15.883 -7.943 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -25.718 19.090 -9.871 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -25.332 18.290 -9.464 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -26.493 19.291 -9.307 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -33.269 27.035 1.136 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -33.469 27.016 2.086 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -33.789 26.292 0.765 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.655 29.537 -2.521 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -31.012 28.875 -1.888 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -31.199 30.338 -2.364 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -32.059 22.376 1.290 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -31.678 22.162 2.165 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -31.989 21.536 0.786 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -33.571 20.934 -1.983 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -33.065 21.643 -2.433 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -34.239 21.420 -1.446 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -39.625 22.679 -0.708 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -40.123 22.180 -0.024 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -39.521 23.569 -0.321 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -31.987 32.045 -2.707 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -31.125 32.442 -2.446 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -32.340 32.664 -3.360 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -31.934 31.784 -6.137 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -32.800 31.820 -5.677 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -31.594 30.899 -5.925 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -28.394 31.682 -4.311 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -28.403 30.724 -4.144 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -28.864 32.066 -3.541 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -34.424 24.908 -0.259 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -34.813 24.032 -0.086 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -34.573 25.047 -1.216 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -34.124 31.465 -4.538 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -35.011 31.103 -4.449 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -33.723 31.336 -3.663 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -27.955 19.535 -8.226 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -28.298 18.757 -8.716 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -28.492 19.548 -7.401 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -27.422 28.840 -6.570 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -27.592 28.939 -5.613 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.314 28.810 -6.966 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -30.904 36.269 -8.191 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -30.974 35.290 -8.255 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -31.485 36.499 -7.433 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -32.403 36.574 -5.886 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -33.362 36.556 -5.965 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -32.226 36.149 -5.014 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -36.541 23.094 -3.720 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -36.889 22.354 -3.181 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -37.268 23.320 -4.305 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -33.858 23.903 2.814 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -33.337 23.354 2.197 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -34.423 23.262 3.290 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -35.548 22.258 -0.637 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -36.027 22.560 0.162 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -36.253 21.903 -1.215 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -33.942 26.336 3.926 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -33.697 25.480 3.497 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -34.017 26.110 4.877 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -37.748 21.199 -2.000 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -38.512 21.738 -1.676 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -37.677 20.466 -1.338 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -37.545 19.443 0.049 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -38.272 19.069 0.574 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -36.740 19.151 0.523 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -29.797 37.331 3.759 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -29.697 36.370 3.610 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -30.764 37.463 3.822 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -37.012 23.391 1.371 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -37.743 23.869 0.923 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -36.733 23.999 2.078 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -38.902 26.298 2.982 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -38.029 25.924 3.225 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.965 27.108 3.505 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -36.978 27.664 5.128 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -36.767 27.681 6.086 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -36.771 26.759 4.854 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -32.317 26.826 -3.669 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -32.180 27.053 -2.725 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -33.050 26.179 -3.655 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -34.568 35.796 4.146 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.513 35.720 4.305 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.188 34.991 4.575 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -28.723 33.737 -6.095 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -29.535 33.552 -6.606 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -28.633 32.958 -5.497 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -31.627 27.369 -1.033 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.214 27.510 -0.253 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -31.252 26.482 -0.884 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -34.679 29.044 4.275 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -35.606 28.849 4.513 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -34.310 28.176 4.031 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -31.819 36.359 1.163 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -31.932 36.879 1.985 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -32.685 35.968 1.013 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -31.438 29.098 -5.125 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -31.985 28.336 -4.847 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -31.097 29.462 -4.283 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -32.058 23.099 -2.867 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -31.305 23.194 -3.467 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -31.766 23.543 -2.042 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -37.118 20.976 2.717 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -37.253 21.648 2.018 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -36.650 20.242 2.261 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -34.318 24.675 -3.063 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -33.606 24.001 -3.054 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -35.125 24.167 -3.311 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -31.687 24.550 -0.509 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -31.584 23.828 0.144 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -32.621 24.829 -0.405 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -28.174 32.560 -0.090 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -27.973 32.714 0.865 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -28.006 31.621 -0.216 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -33.525 33.629 5.369 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.562 33.826 5.419 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -33.566 32.655 5.403 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -30.896 33.497 -7.974 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -30.784 32.888 -8.731 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -31.394 32.963 -7.311 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -32.870 30.917 5.124 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -33.598 30.267 4.989 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.425 30.950 4.271 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -36.053 27.300 7.723 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -36.444 26.714 8.400 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -35.425 27.860 8.231 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -29.759 31.842 -9.936 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -29.077 32.444 -9.619 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -29.509 31.667 -10.865 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -37.562 22.152 6.376 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -37.732 21.276 6.774 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -37.135 22.665 7.098 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -39.020 25.093 0.532 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -39.100 25.849 -0.059 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -39.118 25.483 1.434 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.458 25.244 3.605 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -35.593 25.683 3.475 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -36.224 24.357 3.959 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -34.713 25.260 6.426 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -34.996 26.078 6.885 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -35.308 24.572 6.786 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -30.491 30.488 6.559 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -30.098 31.346 6.782 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -31.365 30.714 6.181 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -35.819 22.672 4.335 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -36.274 22.527 5.191 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -36.242 22.020 3.731 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -33.543 19.623 7.538 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -33.810 18.700 7.377 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -34.279 20.002 8.050 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -24.659 38.989 -3.061 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -24.332 39.172 -2.176 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -24.605 39.852 -3.520 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -29.387 34.668 3.087 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -29.928 34.703 2.283 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -28.727 33.953 2.904 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -26.736 31.504 6.959 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -26.681 31.623 5.983 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -27.667 31.686 7.168 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -28.998 26.787 -9.140 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -28.667 27.458 -9.763 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -29.421 27.314 -8.431 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -28.527 28.732 -4.034 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -28.841 27.864 -4.366 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -29.213 28.998 -3.384 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -26.053 28.704 -8.891 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -26.819 28.815 -9.496 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -26.462 28.672 -7.993 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -29.341 24.236 -8.226 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -29.173 25.152 -8.553 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -29.299 23.693 -9.018 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -29.741 26.296 -4.697 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -30.571 26.606 -4.280 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -30.016 25.491 -5.193 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -26.848 21.628 -6.747 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -27.167 20.928 -7.353 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -25.872 21.523 -6.753 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -30.776 24.082 -5.903 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -31.624 23.681 -6.120 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -30.277 24.068 -6.753 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -28.160 19.434 -2.741 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -27.327 19.007 -2.968 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -28.784 18.679 -2.588 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -29.551 33.202 -2.308 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -29.087 33.074 -1.446 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -29.260 34.095 -2.606 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -31.809 35.519 -3.454 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -30.954 35.084 -3.586 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -31.666 36.083 -2.669 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -32.577 37.536 3.577 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -33.013 38.359 3.826 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -33.237 36.836 3.810 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -34.565 17.551 -0.196 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -34.885 18.055 0.591 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -35.134 16.750 -0.211 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -35.002 18.669 -2.645 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -34.908 18.253 -1.761 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -34.515 19.515 -2.560 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -31.738 20.067 -0.184 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -32.439 20.236 -0.857 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -31.695 19.087 -0.124 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -29.580 19.275 -6.030 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -29.893 19.304 -5.121 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -30.035 18.492 -6.415 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -38.356 19.584 7.421 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -38.229 19.342 6.474 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -39.260 19.968 7.448 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -29.069 33.046 7.316 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -29.165 33.500 8.181 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -28.467 33.633 6.802 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -32.141 27.399 14.107 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -31.842 26.545 13.708 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -32.951 27.166 14.576 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -28.432 25.949 14.847 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -28.698 25.442 15.639 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -27.785 25.380 14.409 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -27.430 18.570 19.496 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -27.767 18.442 18.595 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -27.980 19.306 19.856 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -31.493 19.990 13.380 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -31.436 20.308 14.305 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.956 19.126 13.450 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -25.696 23.945 21.237 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -26.007 24.735 20.749 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -25.864 24.155 22.159 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -31.898 30.301 14.197 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -31.130 30.307 14.805 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -32.119 29.355 14.103 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -30.415 23.167 15.268 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -29.967 23.552 16.049 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -30.808 22.331 15.601 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -29.726 29.962 15.953 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -28.765 30.098 16.112 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -29.811 29.006 15.842 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.960 33.071 14.766 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -32.082 32.152 14.461 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -31.395 32.988 15.558 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -32.140 30.887 11.483 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -31.431 30.271 11.199 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -32.200 30.751 12.448 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -31.141 35.106 20.253 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -31.164 34.152 20.011 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -31.737 35.174 21.003 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -34.273 28.260 9.571 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -33.351 27.929 9.440 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -34.153 29.174 9.858 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -26.413 26.022 19.538 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -26.452 25.319 18.857 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -25.563 26.480 19.359 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -29.519 27.990 13.482 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -30.460 27.845 13.711 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -29.053 27.215 13.885 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -31.651 27.647 9.300 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -31.176 27.607 8.440 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.056 28.164 9.877 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -24.475 36.549 17.689 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -24.481 36.327 18.636 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -24.435 37.533 17.675 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -29.289 34.432 9.814 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -29.321 35.362 10.114 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -30.120 34.036 10.168 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -31.678 33.463 10.746 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -32.467 33.682 10.236 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -31.817 32.519 11.007 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -27.305 29.649 13.620 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -28.089 29.070 13.514 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -27.118 29.623 14.582 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -36.140 23.634 8.137 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -35.802 22.854 8.629 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -36.240 24.328 8.829 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -36.116 25.675 9.962 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -36.474 25.370 10.832 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -35.472 26.361 10.199 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -40.792 20.878 7.100 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -40.620 21.688 6.570 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -41.705 20.969 7.381 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -30.106 30.385 20.915 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -29.366 29.841 20.568 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -30.205 30.094 21.825 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -32.554 23.397 11.604 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -32.849 24.015 10.924 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -32.140 23.969 12.286 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -29.451 36.343 18.558 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -30.061 35.978 19.247 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -29.605 35.783 17.788 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -30.350 27.796 6.881 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -30.420 27.530 5.962 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -30.296 28.780 6.844 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -30.022 29.181 11.041 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -29.848 28.726 11.895 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -29.153 29.479 10.750 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -35.006 18.513 11.448 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -34.735 19.454 11.391 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -35.536 18.366 10.645 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -33.917 21.005 11.890 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -33.225 20.582 12.427 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -33.705 21.960 11.943 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -37.554 22.350 13.411 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -38.210 21.678 13.215 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -36.940 21.909 14.042 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -29.013 24.558 17.224 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -29.257 25.110 17.977 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -28.127 24.201 17.464 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -30.324 32.538 16.957 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -30.597 32.567 17.900 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -30.167 31.586 16.783 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -30.833 33.854 5.300 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -30.192 33.568 5.977 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -30.281 34.107 4.536 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -27.009 30.064 16.355 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -26.553 30.936 16.268 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -26.648 29.692 17.185 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -24.946 33.737 21.861 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -25.855 33.681 22.183 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -24.913 34.589 21.383 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -27.970 28.722 20.138 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -27.242 29.201 19.692 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -27.696 27.793 20.103 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -31.310 32.455 19.561 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -30.914 31.704 20.064 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -32.157 32.094 19.215 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -31.090 24.995 13.339 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -30.220 25.050 12.893 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -30.940 24.353 14.075 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -26.404 23.833 17.795 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -25.862 23.145 18.226 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -26.015 23.919 16.899 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -33.544 31.776 18.129 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -33.552 32.272 17.300 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -34.461 31.522 18.265 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -29.144 20.643 19.971 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -29.772 20.245 19.337 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -29.380 21.575 19.987 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -31.476 20.748 16.088 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -32.395 20.398 16.076 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -31.052 20.274 16.833 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -36.086 20.699 14.988 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -35.185 20.552 15.314 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -36.333 19.846 14.570 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -37.056 24.817 12.348 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -37.121 23.870 12.619 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -37.650 25.272 12.951 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -27.620 41.620 -13.416 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -27.413 42.233 -14.155 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -26.900 41.776 -12.768 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -27.952 51.542 -13.919 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -27.273 52.033 -13.407 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -27.982 51.996 -14.765 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -29.767 49.699 -13.016 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -30.326 49.628 -13.795 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -29.079 50.355 -13.273 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -25.527 42.114 -11.637 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -26.048 42.842 -11.243 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -24.833 41.927 -10.966 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -24.628 38.620 -11.904 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -25.170 38.018 -12.443 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -25.268 39.198 -11.478 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -29.749 41.040 -11.798 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -29.009 41.198 -12.427 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -30.515 41.422 -12.234 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -29.104 39.161 -0.832 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -28.458 39.412 -1.499 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -28.978 39.818 -0.115 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -27.681 38.590 2.676 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -27.754 38.138 1.824 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -28.419 38.206 3.214 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -28.504 40.819 1.288 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -28.966 41.500 1.786 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -28.251 40.155 1.963 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -28.226 35.948 -7.583 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -29.158 36.176 -7.782 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -28.291 35.107 -7.080 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -27.252 44.154 -10.727 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -27.020 44.490 -11.624 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -27.910 44.813 -10.389 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -29.781 48.582 -10.552 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -29.855 48.892 -11.488 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -30.468 49.073 -10.087 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -28.752 46.126 -9.684 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -29.283 46.870 -10.031 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -28.184 46.536 -9.006 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -26.318 45.036 -13.157 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -26.557 44.411 -13.871 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -25.842 45.757 -13.623 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -28.601 39.705 -6.298 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -28.490 40.661 -6.293 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -28.143 39.415 -7.109 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -27.244 36.776 8.106 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -26.764 37.631 8.168 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -27.470 36.696 7.168 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -29.596 37.857 -10.040 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -30.141 38.516 -10.495 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -30.233 37.364 -9.471 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -26.019 40.672 -8.361 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -26.748 41.237 -8.698 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -26.357 39.756 -8.485 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -26.274 35.106 1.796 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -26.515 35.008 0.871 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -26.587 34.269 2.214 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -30.564 36.884 -1.248 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -30.966 36.668 -0.378 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -30.138 37.761 -1.103 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -28.999 35.709 -3.155 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -29.433 36.185 -2.412 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -29.077 36.329 -3.913 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -29.515 37.396 -5.239 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -30.457 37.361 -5.475 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -29.237 38.307 -5.497 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -26.548 34.714 9.746 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -27.409 34.280 9.922 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -26.783 35.476 9.170 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -29.342 37.120 13.090 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -30.014 36.405 13.231 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -29.179 37.101 12.122 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -28.675 37.181 10.426 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -28.225 37.005 9.573 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -28.586 38.154 10.543 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -29.824 40.773 16.112 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -30.693 41.153 16.281 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -29.688 40.143 16.861 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -28.679 34.052 15.383 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -27.928 34.343 15.940 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -29.288 33.603 16.013 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -30.988 34.961 12.992 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -31.224 34.459 12.187 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -31.365 34.424 13.724 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -18.398 14.210 -38.415 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -18.504 14.024 -37.467 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -17.465 13.963 -38.604 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -18.935 14.732 -35.582 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -19.679 15.079 -36.112 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -19.110 15.076 -34.679 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -16.483 18.378 -33.177 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -16.558 19.245 -33.632 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -15.685 17.976 -33.568 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -13.660 17.428 -38.324 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -14.535 17.564 -37.921 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -13.678 17.985 -39.134 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -12.850 17.315 -32.131 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -13.650 17.397 -31.562 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -13.187 17.478 -33.037 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -18.610 16.955 -38.635 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -18.542 15.987 -38.793 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -17.734 17.196 -38.267 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -16.404 17.350 -36.918 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -16.107 16.533 -36.471 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -17.111 17.698 -36.333 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -19.323 16.497 -33.497 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -18.954 17.124 -34.154 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -18.963 16.811 -32.641 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -20.294 19.174 -38.333 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -20.832 19.491 -39.078 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -19.722 18.480 -38.722 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -20.226 19.346 -30.036 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -20.053 18.961 -29.155 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -19.609 18.871 -30.628 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -9.991 18.278 -29.500 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -10.396 17.394 -29.422 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -10.427 18.670 -30.280 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -18.302 17.824 -31.304 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -17.622 18.100 -31.965 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -17.797 17.712 -30.477 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -15.721 20.099 -41.659 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -16.157 20.667 -40.994 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -16.195 20.291 -42.491 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -13.847 21.259 -43.720 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -13.832 21.438 -42.760 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -14.787 21.050 -43.910 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -16.175 14.843 -35.715 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -17.148 14.740 -35.601 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -15.817 14.716 -34.830 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -11.734 16.162 -29.905 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -12.503 16.338 -29.332 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -12.028 16.447 -30.797 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -21.215 14.050 -38.880 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -21.013 14.722 -38.209 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -20.346 13.731 -39.161 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -15.681 13.953 -38.267 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -15.730 14.197 -37.320 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -14.902 14.416 -38.591 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -14.028 18.136 -34.467 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -14.454 19.018 -34.585 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -13.125 18.256 -34.838 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -17.264 19.756 -26.848 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -17.144 20.225 -25.990 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -16.753 20.299 -27.490 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -11.818 14.019 -28.201 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -11.138 13.341 -28.222 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -11.578 14.625 -28.932 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -11.032 17.615 -37.692 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -10.562 17.116 -38.369 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -11.988 17.453 -37.891 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -11.425 18.488 -35.116 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -10.633 18.434 -34.567 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -11.158 18.078 -35.968 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -12.978 21.072 -32.938 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -13.648 20.883 -33.635 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -13.488 21.029 -32.109 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -13.479 18.972 -40.661 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -14.346 19.282 -41.014 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -12.955 18.769 -41.464 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -21.765 18.177 -33.167 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -21.151 17.482 -32.889 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -21.546 18.326 -34.103 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -23.793 19.447 -35.682 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -24.185 18.995 -36.472 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -24.370 19.189 -34.952 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -21.233 18.646 -35.865 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -20.933 18.989 -36.743 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -22.167 18.954 -35.794 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -23.385 15.709 -38.073 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -23.207 14.914 -38.602 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -22.539 15.886 -37.625 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -20.782 16.197 -37.117 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -20.060 16.557 -37.681 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -21.035 16.952 -36.546 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -11.022 19.371 -31.875 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -11.578 18.576 -32.024 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -11.529 20.095 -32.299 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -21.717 15.162 -17.187 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -21.916 15.078 -18.122 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -21.669 16.135 -17.037 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -22.923 15.936 -11.890 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -22.581 15.639 -12.758 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -23.901 15.973 -12.021 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -17.618 12.857 -12.750 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -18.263 13.608 -12.719 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -17.213 12.934 -13.620 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -15.219 20.385 -31.395 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -15.201 19.417 -31.249 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -15.508 20.481 -32.323 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -14.565 17.157 -13.148 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -15.200 17.363 -13.867 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -13.764 16.836 -13.621 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -25.600 12.110 -9.445 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -26.057 12.647 -10.109 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -24.719 11.913 -9.864 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -18.124 10.319 -11.834 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -17.914 11.203 -12.208 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -17.685 10.318 -10.956 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -20.477 11.175 -10.651 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -20.458 12.060 -11.037 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -19.817 10.673 -11.169 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -16.586 16.654 -11.361 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -15.923 16.844 -12.060 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -16.237 17.124 -10.568 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -15.760 14.056 -10.981 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -16.345 13.416 -11.423 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -16.197 14.919 -11.130 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -12.835 17.724 -11.029 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -13.503 17.695 -11.741 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -13.005 16.923 -10.513 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -13.777 18.813 -28.120 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -13.591 17.904 -27.798 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -13.117 19.375 -27.649 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -19.473 18.297 -27.582 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -18.765 18.912 -27.280 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -20.092 18.269 -26.846 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -21.429 19.913 -11.906 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -21.382 19.163 -11.278 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -20.517 20.001 -12.243 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -21.515 14.953 -9.709 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -20.611 15.209 -9.975 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -22.045 15.052 -10.529 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -17.111 17.530 -28.794 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -18.036 17.403 -28.504 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -16.757 18.184 -28.164 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -19.025 16.158 -10.161 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -18.839 16.404 -9.241 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -18.179 16.343 -10.632 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -14.879 17.776 -30.398 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -15.700 17.441 -29.984 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -14.377 18.161 -29.646 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -22.372 12.794 -13.133 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -22.451 13.681 -13.546 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -22.145 12.215 -13.865 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -13.567 16.065 -27.760 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -14.404 15.708 -27.442 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -12.942 15.306 -27.693 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -16.295 8.185 -11.651 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -17.014 8.745 -12.001 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -16.268 7.431 -12.245 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -22.488 23.011 -31.610 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -22.525 23.325 -32.529 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -22.344 22.035 -31.693 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -13.342 13.902 -5.389 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -13.523 13.671 -6.325 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -13.676 14.830 -5.306 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -25.598 16.232 -12.425 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -26.054 16.961 -12.885 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -26.201 16.001 -11.683 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -22.478 15.184 -14.518 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -22.124 15.030 -15.422 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -23.037 15.983 -14.616 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -19.142 15.084 -12.776 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -19.301 15.404 -11.871 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -19.169 15.898 -13.324 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -26.337 18.634 -13.689 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -26.691 19.388 -14.172 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -25.611 19.013 -13.149 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -23.829 17.612 -14.572 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -23.657 18.031 -13.708 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -24.800 17.617 -14.647 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -20.345 19.689 -15.166 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -20.822 20.490 -15.462 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -19.778 20.006 -14.439 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -18.013 21.955 -16.935 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -18.341 22.196 -16.042 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -17.679 21.055 -16.823 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -12.301 16.365 -14.453 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -11.966 15.793 -15.150 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -11.510 16.717 -14.030 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -15.549 20.873 -28.671 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -15.543 20.902 -29.650 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -14.882 20.192 -28.449 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -13.935 15.421 -9.454 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -14.560 16.167 -9.300 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -14.406 14.847 -10.104 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -18.336 9.850 -0.062 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -18.083 9.173 0.594 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -18.907 9.364 -0.698 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -25.661 11.809 1.810 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -26.434 12.373 1.603 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -24.999 12.051 1.123 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -22.669 5.547 -3.798 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -22.927 4.871 -4.432 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -21.988 6.082 -4.278 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -28.328 13.897 -4.311 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.332 13.759 -3.345 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -27.588 13.347 -4.630 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -16.073 6.010 -0.512 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -15.478 5.258 -0.552 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -16.838 5.741 -1.075 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -27.462 10.011 -3.296 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -26.526 10.298 -3.201 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -27.898 10.363 -2.515 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -22.792 9.878 -1.853 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -22.082 9.901 -2.517 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -23.212 8.993 -1.981 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -22.349 8.836 0.706 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -22.672 9.436 1.401 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -22.469 9.346 -0.126 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -27.979 12.028 -7.814 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -27.246 11.963 -8.451 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -27.573 12.419 -7.025 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -9.042 12.450 3.310 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -9.572 11.674 3.061 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -9.426 12.738 4.167 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -17.874 10.306 -4.016 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -18.099 10.858 -4.795 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -17.093 9.789 -4.305 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -16.772 9.872 -9.511 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -15.995 10.121 -8.972 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -16.454 9.123 -10.061 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -16.339 9.294 2.910 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -16.546 8.597 2.251 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -17.196 9.447 3.362 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -24.885 10.896 -3.437 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -24.249 10.819 -4.182 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -24.339 10.722 -2.644 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -13.691 9.783 -5.898 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -12.715 9.807 -5.858 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -13.902 10.038 -6.820 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -25.913 7.298 2.141 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -26.371 8.120 2.439 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -26.540 6.897 1.497 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -20.905 9.691 -3.984 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -21.631 10.090 -4.525 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -20.112 10.186 -4.250 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -9.823 15.600 -7.830 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -9.486 15.947 -8.660 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -10.705 16.022 -7.736 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -26.176 15.377 2.561 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -25.335 15.025 2.929 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -25.884 15.915 1.794 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -11.549 13.757 8.079 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -12.136 13.055 8.445 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -12.098 14.556 8.100 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -10.902 10.074 -5.376 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -11.107 10.969 -5.031 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -9.940 10.109 -5.558 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -22.368 4.279 -0.020 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -22.905 5.029 0.328 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -22.771 3.499 0.369 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -23.799 7.379 -2.024 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -23.868 6.899 -1.179 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -23.510 6.699 -2.664 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -17.953 7.251 -3.905 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -18.272 7.891 -3.238 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -17.128 7.654 -4.247 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -18.706 9.377 4.257 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -18.918 8.436 4.160 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -19.569 9.796 4.432 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -18.182 5.261 -2.018 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -18.064 5.822 -2.812 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -19.146 5.259 -1.870 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -27.551 6.312 0.207 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -28.511 6.373 0.222 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -27.340 6.098 -0.708 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -17.560 7.530 1.213 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -17.034 6.932 0.638 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -18.469 7.161 1.177 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -20.604 6.976 -4.707 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -19.630 6.898 -4.640 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -20.766 7.937 -4.689 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -19.676 8.334 -1.918 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -20.169 8.801 -2.621 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -20.145 7.482 -1.823 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -20.893 5.784 -1.673 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -21.343 5.127 -1.087 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -21.420 5.760 -2.499 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -13.769 10.142 2.428 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -14.661 9.818 2.680 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -13.688 9.901 1.486 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -15.624 8.722 -4.335 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -14.981 9.092 -4.991 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -15.063 8.358 -3.639 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -26.986 9.660 2.972 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -27.676 10.077 3.527 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -26.524 10.415 2.560 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -20.295 6.974 0.998 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -20.434 6.419 0.213 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -20.913 7.726 0.870 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -7.029 10.573 3.859 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -7.587 11.357 3.687 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -6.144 10.946 4.062 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -14.632 16.291 -5.552 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -15.431 16.185 -6.122 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -14.310 17.193 -5.758 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -16.171 10.416 -1.546 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -16.906 10.260 -0.908 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -16.609 10.402 -2.415 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -14.748 13.446 -7.683 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -15.702 13.683 -7.536 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -14.433 14.123 -8.316 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -11.323 17.934 -5.208 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -11.276 17.253 -5.903 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -12.138 18.442 -5.436 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -22.928 10.898 -5.354 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -23.440 10.653 -6.163 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -22.497 11.753 -5.593 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -21.064 7.237 3.705 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -20.748 7.011 2.807 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -22.017 7.040 3.680 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -14.138 9.110 -0.241 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -14.793 9.658 -0.731 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -14.558 8.241 -0.180 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -21.546 13.187 -5.911 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -20.624 13.078 -6.185 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -21.836 14.012 -6.354 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -9.997 16.728 -1.373 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -9.222 16.653 -0.780 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -10.697 17.085 -0.806 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -15.501 17.577 -9.089 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -15.226 18.446 -8.717 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -16.023 17.150 -8.354 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -23.255 11.771 -10.733 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -22.409 11.357 -10.478 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -23.065 12.182 -11.605 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -16.475 10.781 5.329 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -17.370 10.395 5.302 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -16.054 10.445 4.518 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -22.505 9.232 8.943 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -23.110 9.165 9.708 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -23.015 8.874 8.208 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -18.721 11.961 -6.047 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -19.002 11.339 -6.765 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -18.269 12.694 -6.534 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -23.469 10.324 2.946 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -22.731 10.958 2.789 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -24.272 10.823 2.689 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -19.202 10.483 -8.244 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -19.802 10.668 -8.994 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -18.379 10.167 -8.669 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -17.569 11.449 7.944 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -18.452 11.037 7.845 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -17.121 11.258 7.103 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -14.383 10.819 -8.373 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -13.893 10.921 -9.196 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -14.591 11.744 -8.102 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -23.955 7.837 3.929 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -23.787 8.737 3.574 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -24.670 7.486 3.353 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -13.975 11.556 6.358 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -14.857 11.310 6.008 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -13.355 11.310 5.645 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -21.409 9.590 4.964 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -22.167 9.914 4.449 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -21.286 8.665 4.650 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -25.165 14.014 -7.424 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -25.518 13.557 -6.634 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -25.219 13.341 -8.132 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -10.681 13.733 11.452 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -11.312 13.115 11.070 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -11.232 14.498 11.723 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -9.018 13.474 -6.364 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -8.342 13.936 -5.829 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -9.336 14.165 -6.992 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -8.834 10.153 0.336 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -9.659 9.883 -0.130 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -9.078 10.130 1.277 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -7.508 12.335 -0.684 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -7.909 11.520 -0.307 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -7.879 12.384 -1.593 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -11.124 8.387 -3.216 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -10.708 7.580 -3.534 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -11.111 8.986 -3.992 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -11.310 9.323 -0.619 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -11.217 8.995 -1.541 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -12.272 9.283 -0.450 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -26.913 9.728 -5.932 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -27.546 9.128 -6.340 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -27.140 9.699 -4.971 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -12.006 11.019 4.344 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -12.673 10.842 3.639 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -11.247 10.462 4.091 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -23.753 6.477 0.673 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -24.544 6.685 1.219 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -23.209 7.293 0.721 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -22.735 15.280 -7.312 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -23.564 14.756 -7.336 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -22.293 15.077 -8.169 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -21.959 17.871 -10.166 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -22.336 17.240 -10.822 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -21.549 17.301 -9.501 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -21.869 14.878 15.381 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -22.227 14.658 16.261 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -22.086 14.095 14.828 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -15.476 18.569 15.067 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -15.380 17.727 15.528 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -16.389 18.862 15.293 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -17.896 19.487 16.042 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -18.658 19.304 16.639 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -17.414 20.212 16.494 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -13.859 14.189 14.837 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -13.306 13.876 14.114 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -14.656 14.555 14.387 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -20.106 16.343 17.269 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -20.904 15.903 17.634 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -19.660 15.646 16.775 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -22.516 15.323 18.107 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -22.567 16.092 18.721 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -23.313 14.793 18.327 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -29.310 13.665 6.708 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -29.085 14.465 6.193 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -30.165 13.385 6.344 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -13.644 17.230 18.294 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -13.641 16.249 18.210 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -13.000 17.414 19.002 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -13.445 14.615 17.492 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -13.585 14.493 16.521 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -13.538 13.730 17.855 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -15.845 12.171 9.959 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -15.674 11.286 10.346 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -16.530 12.001 9.269 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -25.235 12.815 12.695 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -25.570 13.686 13.014 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -25.229 12.902 11.734 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -19.895 18.770 14.169 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -19.256 18.924 14.891 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -19.524 19.280 13.417 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -14.132 19.911 18.430 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -14.335 18.977 18.210 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -13.232 19.866 18.813 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -18.451 20.433 12.497 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -17.528 20.500 12.758 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -18.477 20.819 11.599 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -22.625 17.672 19.504 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -23.472 18.152 19.650 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -21.943 18.317 19.757 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -25.164 10.342 13.876 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -24.564 9.868 13.281 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -25.294 11.214 13.438 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -14.365 17.407 6.000 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -14.747 16.741 5.381 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -15.142 17.743 6.502 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -25.864 14.560 16.282 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -25.647 14.692 17.225 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -25.449 13.696 16.064 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -13.216 17.521 13.549 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -14.103 17.888 13.711 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -12.828 17.427 14.449 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -24.480 12.260 15.773 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -23.708 12.436 15.198 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -24.866 11.446 15.405 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -13.272 11.857 8.957 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -13.495 11.679 8.012 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -14.127 12.114 9.357 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -22.562 11.316 11.415 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -23.318 10.702 11.319 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -21.961 11.062 10.705 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -15.848 15.164 13.271 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -15.637 15.029 12.321 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -16.801 15.295 13.284 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -22.715 12.803 13.796 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.607 12.972 13.426 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -22.279 12.260 13.110 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -12.729 15.478 11.876 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -12.897 16.187 12.541 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -13.623 15.221 11.568 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -13.919 15.743 8.411 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -14.190 16.218 7.610 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -13.378 16.395 8.905 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -24.526 9.407 10.947 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -24.989 8.615 11.312 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -25.228 9.876 10.434 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -23.805 16.830 12.812 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -24.094 17.224 11.983 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -24.508 16.174 13.025 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -20.986 19.890 20.166 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -20.099 20.106 20.499 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -21.585 20.245 20.838 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -14.497 9.804 10.473 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -14.264 8.876 10.390 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -13.803 10.273 9.978 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -25.976 16.360 20.401 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -26.626 17.030 20.106 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -25.369 16.854 20.964 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -27.185 8.565 14.207 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -27.634 8.725 15.038 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -26.503 9.273 14.160 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -26.010 7.398 12.047 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -26.203 6.458 12.093 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -26.509 7.783 12.804 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -9.422 19.044 14.024 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -9.012 18.245 13.669 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -8.768 19.377 14.681 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -25.837 15.265 13.643 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -25.969 15.102 14.607 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -26.631 15.785 13.374 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -15.094 14.671 10.696 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -14.788 15.007 9.826 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -15.426 13.762 10.498 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -20.189 10.259 7.422 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -20.578 9.995 6.567 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -20.815 9.913 8.085 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -10.337 12.787 5.743 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -10.800 13.229 6.485 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -11.018 12.198 5.355 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -27.869 16.716 12.564 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -27.869 17.381 11.866 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -28.336 15.943 12.160 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -5.532 20.011 20.525 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -6.131 20.765 20.747 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -5.616 19.418 21.279 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -7.959 13.333 10.815 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -8.779 13.524 11.318 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -8.254 13.315 9.884 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -12.190 17.456 16.041 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -11.506 16.806 16.253 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -12.812 17.409 16.803 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -19.972 19.029 17.686 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -19.994 18.044 17.665 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -20.356 19.260 18.552 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -24.781 19.289 19.934 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -24.735 20.262 19.829 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -25.728 19.079 19.801 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -17.569 21.255 20.241 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -17.314 21.140 19.301 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -16.734 21.186 20.723 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -11.838 19.085 19.759 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -11.010 19.587 19.871 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -12.301 19.189 20.623 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -10.126 21.486 17.480 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -9.296 21.555 16.994 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -10.747 21.085 16.838 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -11.290 18.759 11.968 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -10.623 19.027 12.626 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -12.000 18.348 12.501 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -16.774 31.487 -40.222 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -15.982 30.933 -40.044 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -16.979 31.311 -41.168 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -24.324 26.645 -35.363 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -24.196 25.750 -35.745 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -23.894 26.596 -34.500 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -14.873 29.537 -40.061 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -15.113 29.186 -40.940 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -14.570 28.747 -39.565 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -21.946 32.033 -33.351 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -21.811 31.880 -34.322 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -22.625 32.716 -33.316 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -7.773 28.261 -35.770 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -8.187 28.950 -35.245 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -8.353 28.174 -36.553 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -21.997 25.464 -40.541 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -21.431 25.896 -41.204 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -22.169 24.572 -40.917 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -13.584 24.011 -44.167 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -12.754 23.956 -43.661 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -13.834 23.080 -44.307 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -19.648 27.787 -39.879 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -20.542 28.182 -39.703 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -19.721 27.437 -40.792 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -22.503 21.680 -36.520 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -21.609 21.646 -36.124 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -22.977 20.922 -36.113 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -14.289 35.602 -38.610 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -14.652 36.339 -39.110 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -15.063 35.251 -38.101 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -12.181 25.384 -39.677 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -11.292 25.731 -39.885 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -12.025 24.448 -39.447 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -19.145 25.008 -39.163 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.030 25.027 -38.741 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -19.059 25.889 -39.564 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -19.805 29.289 -31.329 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -19.861 28.878 -32.229 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -18.851 29.215 -31.094 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -12.667 33.489 -39.341 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -12.182 33.902 -40.058 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -13.271 34.193 -39.023 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -15.222 33.827 -34.647 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -16.006 33.614 -34.094 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -14.774 32.957 -34.777 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -12.501 29.144 -34.469 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -11.756 28.529 -34.244 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -13.279 28.740 -34.023 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -17.245 30.409 -42.676 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -16.813 29.543 -42.507 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -17.354 30.436 -43.628 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -21.942 29.041 -39.272 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.943 29.999 -39.090 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -22.658 28.688 -38.705 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -21.782 31.593 -35.989 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -21.721 31.819 -36.939 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -21.662 30.618 -35.969 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -13.163 35.087 -36.119 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -13.417 35.387 -37.013 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -14.008 34.821 -35.709 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -23.434 24.209 -36.218 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -23.295 23.269 -36.462 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -22.945 24.308 -35.369 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -26.345 34.539 -28.469 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -27.040 34.617 -27.778 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -26.837 34.358 -29.277 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -9.515 34.217 -27.274 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -9.887 35.096 -27.437 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -10.142 33.805 -26.643 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -22.518 29.715 -31.801 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -21.572 29.635 -31.575 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -22.548 30.461 -32.431 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -19.737 22.407 -38.258 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -19.760 22.236 -37.291 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -19.365 23.306 -38.331 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -21.545 28.889 -36.049 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -20.865 28.359 -36.528 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -22.383 28.664 -36.501 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -20.024 26.530 -42.256 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -19.206 25.981 -42.250 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -20.132 26.782 -43.178 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -16.251 26.262 -39.976 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -16.734 25.802 -39.271 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -15.410 26.532 -39.552 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -15.943 28.046 -42.187 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -16.154 27.448 -41.442 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -15.650 27.436 -42.905 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.554 25.372 -37.876 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -22.292 25.002 -37.348 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -21.928 25.457 -38.787 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -18.574 22.735 -40.978 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -19.223 23.091 -40.346 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -17.945 22.234 -40.414 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -8.151 36.173 -29.869 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -7.312 36.264 -29.411 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -8.250 35.209 -29.998 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -21.215 27.194 -30.045 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -20.679 27.992 -30.230 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -21.717 27.422 -29.243 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -22.276 22.932 -41.456 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -22.492 22.348 -42.184 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -22.243 22.339 -40.673 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -19.732 27.253 -37.145 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -19.476 27.481 -38.056 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -20.351 26.498 -37.253 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -23.884 28.281 -37.473 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -24.734 28.413 -37.905 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -24.090 27.677 -36.719 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -11.543 30.883 -32.469 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -12.486 31.061 -32.279 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -11.565 30.290 -33.234 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -19.012 30.402 -39.077 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -19.095 29.469 -39.356 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -18.183 30.705 -39.504 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -17.432 33.491 -33.043 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -17.748 34.388 -32.891 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -18.169 32.921 -32.729 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -11.367 33.361 -35.112 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -10.480 33.431 -35.479 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -11.884 34.053 -35.592 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -15.251 26.191 -44.134 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -14.610 25.451 -44.022 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -15.628 26.042 -45.004 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -17.710 25.139 -42.031 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -17.030 25.538 -41.450 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -17.985 24.327 -41.553 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -16.544 20.849 -44.215 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -17.005 20.360 -44.904 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -17.080 21.672 -44.104 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -13.854 27.293 -38.821 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -13.265 26.613 -39.243 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -13.238 27.834 -38.273 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -24.711 18.053 -37.786 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -25.281 18.098 -38.558 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -24.280 17.168 -37.857 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -23.814 33.720 -29.510 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -23.644 32.967 -28.905 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -24.679 34.062 -29.224 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -23.191 31.855 -27.594 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -23.031 31.538 -26.693 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -23.225 31.031 -28.137 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -22.409 26.975 -32.513 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -22.778 27.881 -32.482 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -22.075 26.826 -31.602 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -20.193 28.150 -33.720 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -20.411 28.485 -34.612 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -20.940 27.565 -33.499 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -19.771 23.390 -33.320 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -18.898 23.673 -33.689 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -19.543 22.930 -32.501 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -19.840 21.773 -35.555 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -19.998 22.386 -34.809 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -18.971 21.359 -35.341 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -21.067 24.434 -29.673 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -21.514 23.964 -30.408 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -20.983 25.352 -29.989 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -18.528 18.331 -35.410 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -19.471 18.549 -35.556 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -18.138 19.169 -35.056 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -22.212 20.341 -31.534 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -21.518 20.081 -30.882 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -22.216 19.601 -32.178 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -12.953 30.892 -38.544 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -12.805 31.836 -38.773 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -13.669 30.611 -39.143 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -13.562 31.672 -34.907 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -13.257 30.749 -34.815 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -12.740 32.177 -35.077 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -11.533 24.462 -36.544 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -11.891 24.074 -35.714 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -10.654 24.796 -36.290 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -13.296 27.057 -30.633 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -12.324 27.002 -30.757 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -13.633 27.332 -31.502 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -14.058 25.692 -36.550 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -14.084 26.295 -37.308 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -13.163 25.310 -36.579 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -7.358 23.830 -28.321 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -7.034 22.981 -28.711 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -6.993 24.519 -28.919 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -11.340 23.192 -42.779 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -11.880 22.803 -42.053 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -10.925 22.429 -43.196 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -22.290 34.273 -26.508 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -22.557 33.586 -27.146 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -21.690 33.791 -25.881 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -19.572 32.059 -32.019 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -20.367 32.084 -32.597 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -19.557 31.148 -31.676 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -18.903 35.330 -30.027 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -18.411 34.538 -29.731 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -19.818 34.999 -30.183 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -15.315 35.170 -29.425 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -15.981 34.456 -29.388 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -15.845 35.987 -29.449 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -17.945 32.933 -38.223 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -17.408 32.609 -38.977 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -18.509 32.182 -37.998 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -16.295 34.722 -37.069 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -16.976 34.128 -37.464 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -16.138 34.349 -36.183 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -21.333 31.731 -38.716 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -20.480 31.243 -38.814 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -21.231 32.501 -39.284 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -12.809 21.736 -40.983 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -12.507 22.159 -40.146 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -13.000 20.815 -40.726 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -11.760 22.765 -38.654 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -11.731 23.408 -37.910 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -11.575 21.898 -38.224 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -22.033 21.324 -39.252 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -21.146 21.676 -39.017 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -22.538 21.391 -38.420 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -12.243 19.063 -43.204 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -11.782 18.801 -44.004 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -12.793 19.825 -43.480 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -18.111 22.970 -43.688 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -17.816 23.884 -43.528 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -18.497 22.695 -42.831 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -23.678 22.121 -29.234 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -23.402 22.543 -30.071 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -23.538 21.179 -29.389 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -12.940 34.079 -32.955 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -13.669 34.364 -33.534 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -12.242 33.784 -33.580 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -16.943 30.070 -24.016 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -16.995 29.577 -24.843 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -17.726 30.675 -24.046 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -19.442 26.554 -16.646 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -18.690 27.188 -16.654 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -19.122 25.801 -17.186 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -24.947 27.911 -17.532 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -24.707 27.301 -16.825 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -24.140 28.456 -17.661 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -12.996 32.713 -21.981 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -12.321 32.233 -22.506 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -13.838 32.339 -22.290 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -25.739 31.867 -21.583 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -25.766 30.891 -21.534 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -26.411 32.157 -20.936 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -16.268 25.191 -15.732 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -16.865 25.045 -16.493 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -15.932 24.293 -15.520 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -13.240 25.079 -24.992 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -12.385 24.760 -25.333 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -13.854 24.339 -25.155 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -25.827 29.073 -21.335 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -26.091 28.500 -22.064 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -24.991 28.671 -21.004 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -17.225 32.125 -22.006 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -16.733 31.332 -22.268 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -18.016 32.117 -22.600 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -23.782 21.391 -14.371 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -22.952 21.525 -14.873 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -23.645 20.556 -13.900 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -19.264 32.219 -17.632 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -18.762 31.429 -17.397 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -18.730 32.637 -18.346 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -19.647 34.504 -16.138 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -19.426 33.651 -16.561 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -20.430 34.817 -16.636 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -25.409 36.528 -24.276 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -25.434 37.500 -24.428 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -25.103 36.163 -25.139 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -13.251 33.333 -17.378 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -12.730 34.134 -17.157 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -13.070 33.186 -18.318 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -16.526 17.413 -15.031 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -16.606 16.876 -15.828 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -17.412 17.343 -14.603 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -21.879 17.758 -16.486 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -21.309 18.484 -16.169 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -22.659 17.792 -15.893 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -13.032 30.034 -14.209 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -12.871 29.299 -13.598 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -13.804 29.743 -14.736 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -14.902 27.180 -24.876 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -14.282 26.412 -24.828 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.340 27.910 -25.191 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -14.450 31.159 -23.811 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -15.204 30.540 -23.720 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -14.717 31.745 -24.545 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -15.076 22.815 -12.467 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -15.898 22.367 -12.182 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -15.141 22.832 -13.442 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -23.325 31.876 -24.316 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -23.172 31.094 -23.778 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -22.412 32.219 -24.510 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.018 27.811 -16.557 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -16.556 27.008 -16.258 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -16.401 28.537 -16.342 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -19.528 35.212 -13.527 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -19.904 36.115 -13.408 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -19.634 35.035 -14.492 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -28.295 31.311 -12.244 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -27.870 32.198 -12.136 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -28.345 31.188 -13.197 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -27.206 33.741 -11.786 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -27.327 34.636 -11.404 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -26.286 33.494 -11.534 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -12.206 20.630 -26.844 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -11.300 20.721 -26.486 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -12.507 21.536 -26.954 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -24.185 25.103 -25.390 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -24.954 24.564 -25.594 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -23.547 24.883 -26.103 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -11.822 35.908 -26.551 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -11.155 36.507 -26.128 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -11.806 35.103 -25.988 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -26.035 31.811 -17.544 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -26.332 30.964 -17.938 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -25.166 31.612 -17.185 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -26.940 34.939 -21.477 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -27.216 34.322 -20.764 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -27.763 35.171 -21.922 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -8.870 30.765 -11.136 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -9.397 30.843 -11.956 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -7.960 30.926 -11.421 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -12.714 24.072 -11.776 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -13.546 23.597 -12.002 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -12.258 23.470 -11.155 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -22.013 32.015 -17.885 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -22.271 32.951 -17.841 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -21.035 32.037 -17.828 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.383 22.230 -15.476 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -21.734 23.139 -15.373 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -20.454 22.300 -15.174 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -16.865 20.174 -14.930 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -16.611 19.233 -14.994 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -17.440 20.212 -14.135 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -15.224 23.234 -25.526 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -15.376 22.274 -25.545 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -15.889 23.565 -24.881 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -23.781 27.567 -20.428 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -24.056 27.085 -19.636 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -23.805 26.893 -21.142 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -24.406 25.825 -22.586 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -24.760 24.946 -22.420 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -24.156 25.807 -23.533 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -16.346 26.165 -22.771 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -15.821 26.563 -23.498 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -16.410 26.868 -22.116 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -17.267 23.780 -23.778 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -16.962 24.556 -23.252 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -18.082 24.106 -24.230 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -22.131 24.815 -14.736 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -22.319 25.634 -15.247 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -22.888 24.726 -14.138 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -22.988 24.296 -27.739 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -22.157 24.346 -28.265 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -23.416 23.468 -28.058 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -15.653 26.360 -13.269 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -15.821 26.066 -14.190 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.161 25.727 -12.724 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -19.214 24.943 -25.281 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -18.621 25.644 -25.627 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -19.921 24.889 -25.931 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -18.006 24.506 -17.854 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -18.065 23.566 -17.554 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -17.910 24.442 -18.811 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -22.071 24.655 -33.945 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -21.163 24.324 -33.761 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -22.148 25.466 -33.398 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -22.152 30.488 -8.641 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -23.086 30.764 -8.542 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -22.082 30.225 -9.563 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -19.456 25.171 -14.206 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -19.266 25.770 -14.959 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -20.429 25.030 -14.256 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -10.568 27.964 -13.411 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -10.106 27.311 -13.941 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -11.382 27.502 -13.118 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.545 29.942 -15.571 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -16.012 30.013 -14.723 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -15.792 30.759 -16.054 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -16.496 28.880 -27.598 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -15.632 28.468 -27.809 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -17.013 28.154 -27.204 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -12.624 28.237 -26.194 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -13.176 27.762 -26.852 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -12.170 28.929 -26.722 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -10.313 30.707 -13.602 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -11.239 30.774 -13.899 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -10.160 29.738 -13.531 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -12.897 26.588 -12.754 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -13.839 26.567 -13.026 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -12.729 25.676 -12.408 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -23.341 29.605 -29.135 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -23.511 28.669 -28.908 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -23.192 29.596 -30.104 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -17.507 33.300 -19.472 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -17.428 34.245 -19.713 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -17.400 32.825 -20.328 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -8.045 35.191 -25.054 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -8.327 34.729 -24.236 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -8.320 34.597 -25.773 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -24.178 23.302 -12.475 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -24.464 22.724 -11.736 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -24.037 22.680 -13.222 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -13.147 32.021 -27.071 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -14.039 32.067 -26.676 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -13.121 32.780 -27.697 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -22.640 29.274 -18.081 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -22.408 30.230 -18.004 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -22.565 29.087 -19.031 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -23.517 26.991 -28.146 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -24.015 27.100 -27.327 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -23.352 26.025 -28.197 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -19.027 17.578 -13.989 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -19.671 17.955 -14.619 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -18.854 18.314 -13.359 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -15.575 24.781 -27.772 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -15.393 24.259 -26.959 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -15.570 24.123 -28.478 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -17.196 26.518 -26.331 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -16.460 26.777 -25.735 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -16.785 25.886 -26.956 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -17.667 24.721 -12.181 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -17.605 23.740 -12.160 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -18.313 24.906 -12.903 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -15.465 22.553 -15.200 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -16.094 21.797 -15.136 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -14.710 22.189 -15.672 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -12.446 36.033 -19.279 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -12.419 37.001 -19.399 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -12.097 35.895 -18.377 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -21.299 36.606 -25.406 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -21.624 35.810 -25.877 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -20.410 36.349 -25.094 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -26.613 36.997 -13.236 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -26.962 36.771 -12.344 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -26.600 36.154 -13.705 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -20.248 37.821 -13.246 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -20.022 38.186 -12.367 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -19.803 38.421 -13.876 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -28.349 29.317 -10.299 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -28.204 29.861 -11.102 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -28.985 29.834 -9.777 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -19.002 27.833 -8.043 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -18.284 27.654 -7.410 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -18.647 27.515 -8.906 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -15.715 29.074 -12.651 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -15.787 28.910 -11.694 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -15.660 28.176 -13.040 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -25.197 25.450 -11.234 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -24.698 24.744 -11.708 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -26.090 25.379 -11.580 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -22.130 27.136 -16.280 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -22.240 27.955 -16.800 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -21.186 26.896 -16.411 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -17.977 26.739 -10.314 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -17.203 27.341 -10.368 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -17.872 26.142 -11.089 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -18.887 22.511 -14.425 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -18.534 22.144 -13.579 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -18.974 23.472 -14.253 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -16.006 32.311 -17.179 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -16.481 32.653 -17.963 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -15.092 32.628 -17.297 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -15.220 31.745 -11.950 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -15.427 30.860 -12.317 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -14.260 31.742 -11.857 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -28.282 34.655 -26.494 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -28.249 35.333 -25.777 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -29.210 34.400 -26.532 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -28.128 36.429 -24.400 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -28.324 37.368 -24.309 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -27.161 36.369 -24.246 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -24.373 38.462 -21.580 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.454 39.322 -22.066 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -24.953 37.861 -22.065 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -11.367 35.490 -16.803 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -10.417 35.300 -16.913 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -11.381 36.387 -16.395 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -9.063 33.145 -14.490 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -9.345 32.303 -14.083 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -9.663 33.260 -15.231 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -9.225 31.510 -7.040 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -8.705 31.117 -6.306 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -8.753 32.344 -7.248 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -12.966 34.296 -28.502 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -12.575 34.990 -27.928 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -13.778 34.719 -28.876 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -11.389 33.391 -25.474 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -11.959 32.821 -26.032 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -11.240 32.854 -24.667 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -13.772 32.597 -14.730 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -13.427 31.697 -14.549 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -13.480 32.785 -15.644 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -11.306 30.068 -27.681 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -10.918 30.389 -28.530 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -11.935 30.776 -27.426 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -14.318 27.256 -28.117 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -14.684 26.356 -27.993 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -13.947 27.239 -29.033 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -11.673 31.254 -23.823 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -11.170 30.417 -23.953 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -12.611 30.986 -23.923 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -26.830 29.452 -18.754 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -26.605 29.303 -19.696 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -26.270 28.805 -18.269 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -13.317 28.194 -10.552 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -12.624 28.074 -9.864 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -13.013 27.640 -11.298 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -11.580 27.910 -8.467 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -11.242 27.244 -7.833 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -10.805 28.496 -8.634 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -10.612 28.862 -24.397 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -9.823 28.609 -24.881 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -11.347 28.460 -24.908 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -25.288 21.809 -10.366 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -25.923 22.205 -9.757 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -25.454 20.845 -10.294 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -12.266 16.832 -7.665 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -12.835 17.581 -7.386 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -12.854 16.275 -8.212 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -9.615 21.391 -26.177 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -8.906 21.340 -25.489 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -9.207 21.001 -26.963 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -11.309 22.290 -10.192 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -10.615 21.992 -10.791 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -11.788 21.460 -9.946 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -8.806 24.785 -31.046 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -7.897 25.102 -30.848 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -8.977 24.120 -30.366 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -24.756 32.849 -11.027 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -24.779 32.230 -10.267 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -23.819 32.979 -11.198 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -22.032 35.012 -17.383 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -22.017 35.703 -18.086 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -22.489 35.437 -16.648 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -24.263 39.150 -18.903 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -24.350 38.945 -19.860 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -25.172 39.167 -18.581 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -19.589 39.464 -15.327 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -20.559 39.581 -15.268 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -19.461 38.938 -16.143 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -22.234 37.207 -18.980 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -22.899 37.888 -18.764 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -21.821 37.532 -19.803 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -10.862 23.815 -25.739 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -10.472 24.003 -24.876 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -10.490 22.938 -25.983 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -23.294 38.226 -26.294 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -22.482 37.795 -25.934 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -23.802 37.480 -26.682 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -16.891 21.148 -24.514 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -17.187 22.051 -24.261 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -16.727 20.710 -23.673 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -24.072 19.347 -12.306 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -24.477 19.216 -11.426 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -23.151 19.635 -12.106 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -21.381 34.406 -30.749 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -21.167 33.550 -31.144 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -22.245 34.255 -30.302 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -7.714 33.739 -7.764 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -8.436 34.395 -7.614 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -6.943 34.286 -7.976 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -11.090 34.516 2.811 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -11.207 33.541 2.757 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -11.045 34.699 3.774 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -15.894 28.474 -9.868 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -15.932 28.379 -8.892 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -14.926 28.386 -10.080 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -13.349 35.498 6.225 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -12.417 35.415 5.932 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -13.728 34.607 6.060 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -10.871 26.008 -6.634 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -10.998 25.096 -6.973 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -11.728 26.227 -6.197 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -24.131 26.834 -9.183 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -24.446 26.250 -9.915 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -24.794 27.562 -9.161 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -18.505 27.342 -5.005 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -18.519 27.316 -4.037 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -17.729 26.794 -5.243 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -14.456 37.472 4.625 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -13.964 37.247 3.808 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -14.315 36.700 5.206 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -9.649 35.644 -7.311 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -10.557 35.791 -7.587 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -9.353 36.521 -6.984 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -16.008 28.301 -7.089 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -15.925 27.545 -6.469 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -15.102 28.712 -7.089 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -18.340 32.883 -12.912 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -18.946 32.172 -12.686 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -18.927 33.661 -13.069 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -27.656 34.461 5.463 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -27.179 33.712 5.026 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -28.073 34.934 4.727 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -15.817 31.202 4.587 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -15.665 30.300 4.920 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -16.725 31.416 4.892 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -16.604 31.141 -9.503 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -16.281 31.680 -10.251 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -16.301 30.236 -9.717 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -19.969 30.178 -7.051 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -20.803 30.438 -7.509 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -19.720 29.332 -7.475 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -11.926 31.747 -7.813 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -11.739 32.312 -8.568 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -11.050 31.596 -7.405 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -24.863 31.166 -8.819 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -25.232 30.259 -8.926 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -25.421 31.568 -8.141 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -8.900 37.902 0.809 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -9.222 37.132 0.296 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -9.374 37.833 1.670 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -9.267 35.629 -0.783 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -8.388 35.206 -0.681 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -9.895 34.928 -0.560 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -8.590 28.309 -3.833 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -8.279 29.106 -4.312 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -9.065 28.666 -3.060 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -11.270 29.880 8.232 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -11.927 29.687 8.945 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -11.643 29.431 7.436 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -13.652 29.554 -7.458 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -12.991 28.892 -7.747 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -13.176 30.410 -7.533 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -10.706 23.511 -7.801 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -10.972 23.249 -8.711 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -10.835 22.692 -7.275 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -11.489 20.974 -7.007 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -11.582 20.581 -7.901 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -12.218 20.577 -6.502 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -18.275 36.904 8.780 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -17.748 37.180 9.554 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -17.863 37.376 8.035 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -14.373 40.200 4.612 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -13.757 40.422 5.331 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -14.510 39.227 4.704 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -19.554 38.807 -10.712 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -20.519 39.019 -10.691 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -19.157 39.453 -10.111 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -15.916 32.852 7.410 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -16.624 32.303 7.010 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -15.197 32.828 6.756 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -23.884 27.084 18.856 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -23.064 27.497 19.185 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -23.574 26.266 18.409 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -15.026 23.615 17.154 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -14.093 23.844 17.021 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -15.380 23.505 16.235 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -13.421 26.381 12.933 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -13.433 26.465 11.948 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -13.692 25.476 13.096 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -21.039 27.525 19.446 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -20.493 27.447 20.257 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -20.950 26.664 19.015 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -19.566 29.913 19.089 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -20.255 29.215 19.138 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -18.720 29.406 19.076 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -8.043 32.752 15.400 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -8.245 31.798 15.449 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -8.724 33.168 15.980 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -12.231 22.497 21.079 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -13.013 22.584 20.493 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -12.567 22.024 21.854 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -11.504 30.992 22.160 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -11.935 30.180 21.812 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -10.770 31.165 21.525 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -14.326 28.923 23.788 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -14.250 29.753 24.297 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -13.744 29.061 23.017 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -16.924 30.500 17.155 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -17.197 29.785 17.756 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -15.956 30.460 17.170 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -17.948 31.825 20.275 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -18.528 32.191 20.974 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -18.502 31.156 19.832 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -19.611 32.871 22.228 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -20.419 33.307 22.566 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -18.890 33.331 22.676 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -22.241 34.739 20.219 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -22.138 34.422 21.140 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -23.047 35.294 20.248 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -13.849 32.820 5.498 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -13.103 32.205 5.478 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -14.550 32.363 4.972 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -22.303 33.504 22.649 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -23.270 33.650 22.689 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -22.216 32.545 22.463 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -15.775 30.240 20.991 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -15.143 30.818 21.467 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -16.445 30.861 20.637 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -24.825 36.465 12.908 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -24.117 36.375 13.582 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -25.601 36.775 13.423 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -12.248 25.093 24.353 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -11.584 25.451 24.974 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -11.783 25.070 23.492 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -24.107 31.450 20.245 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -23.292 31.198 20.723 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -24.476 32.182 20.771 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -15.055 21.702 22.126 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -15.341 22.406 22.725 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -14.928 22.156 21.263 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.513 26.221 23.408 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -13.771 25.760 23.859 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -14.452 27.144 23.732 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -15.714 23.099 14.591 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -15.092 22.330 14.628 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -16.001 23.126 13.673 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -21.486 28.564 22.671 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -20.641 28.181 22.342 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -21.801 27.923 23.314 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -14.341 29.285 17.440 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -14.228 28.989 16.530 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -14.107 28.494 17.979 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -14.502 22.380 19.575 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -14.390 21.496 19.160 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -14.801 22.953 18.838 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -24.526 36.221 20.583 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -25.495 36.310 20.372 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -24.311 37.042 21.052 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.027 26.096 18.076 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.126 26.417 18.327 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -15.864 25.226 17.671 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -17.067 28.617 22.795 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -16.346 28.348 23.386 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -16.619 29.153 22.108 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -13.272 29.114 12.992 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -13.254 29.310 12.031 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -13.401 28.140 13.036 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -21.684 31.038 21.653 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -21.722 30.114 22.007 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -20.765 31.321 21.826 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -11.379 30.793 24.914 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -10.784 30.071 25.216 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -11.190 30.873 23.955 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -16.959 34.192 18.980 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -17.384 33.361 19.261 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -16.049 34.126 19.345 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -13.322 31.362 18.970 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -12.876 30.798 19.614 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -13.771 30.733 18.371 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -10.567 32.320 9.222 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -11.335 32.646 9.719 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -10.806 31.390 8.995 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -24.557 22.110 19.557 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -25.000 22.694 20.217 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -23.615 22.368 19.606 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -17.594 25.619 20.361 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -17.352 25.655 19.417 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -16.833 26.050 20.813 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -15.212 26.868 20.870 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -14.444 26.775 20.265 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -14.872 26.569 21.746 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.141 24.882 21.809 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -11.565 24.079 21.443 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -11.397 25.599 21.181 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -10.307 34.106 19.554 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -11.075 34.181 20.135 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -9.830 34.959 19.673 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -27.100 39.288 20.184 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -27.897 39.567 19.705 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -26.671 40.132 20.451 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -14.078 31.953 22.464 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -13.126 31.744 22.337 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -14.210 31.877 23.433 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -19.224 27.446 21.617 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -18.513 27.934 22.103 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -18.750 26.698 21.198 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -19.303 23.395 20.451 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -18.679 22.640 20.411 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -18.722 24.179 20.540 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -17.199 28.501 19.031 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -16.862 27.649 18.680 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -16.558 28.738 19.729 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -13.972 31.374 25.151 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -14.123 31.680 26.050 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -12.995 31.205 25.114 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -21.783 22.682 19.499 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -20.978 23.082 19.911 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -21.499 21.790 19.251 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -26.283 35.086 16.265 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -25.718 35.582 16.897 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -26.454 35.730 15.545 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -8.848 36.412 19.773 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -8.005 35.928 19.969 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -8.780 37.220 20.290 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -6.294 34.796 15.991 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -6.988 34.109 15.895 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -6.767 35.562 16.399 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -9.650 31.449 20.202 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -8.787 31.139 19.870 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -9.733 32.356 19.849 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -25.622 29.504 18.852 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -25.011 28.744 18.817 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -25.106 30.206 19.306 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -9.174 29.198 28.517 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -8.609 29.885 28.885 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -9.537 28.751 29.287 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -9.789 28.752 25.851 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -9.536 28.968 26.774 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -10.086 27.823 25.897 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -13.443 26.869 10.277 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -13.293 27.844 10.300 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -13.657 26.690 9.345 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -22.626 24.803 17.875 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -22.353 24.071 18.466 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -22.412 24.479 16.980 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -8.684 26.864 23.540 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -8.638 27.736 23.959 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -8.914 27.064 22.597 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -28.734 19.976 14.512 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -28.785 20.937 14.440 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -29.330 19.655 13.819 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -27.075 36.610 19.983 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -27.894 36.405 19.487 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -27.128 37.584 20.141 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -9.952 21.214 20.160 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -10.697 21.758 20.494 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -9.997 21.322 19.181 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -25.703 32.415 16.420 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -25.910 33.361 16.259 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -25.117 32.430 17.184 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -17.443 39.335 14.741 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -17.253 38.390 14.547 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -16.559 39.736 14.860 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -14.551 33.497 20.180 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -14.110 32.850 19.588 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -14.461 33.102 21.069 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -9.987 33.892 16.860 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -10.838 33.599 16.463 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -10.155 33.875 17.830 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -16.465 21.166 17.649 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -16.150 22.047 17.380 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -15.643 20.643 17.765 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -11.503 20.071 15.510 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -10.795 19.880 14.861 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -11.781 19.182 15.823 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -14.069 21.002 14.947 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -13.132 20.797 15.147 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -14.516 20.131 14.982 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -19.362 47.523 -27.793 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -19.080 47.508 -28.713 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -19.463 46.576 -27.559 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -15.451 42.206 -28.479 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -15.929 41.934 -29.298 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -14.591 41.743 -28.542 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -16.801 40.956 -30.507 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -17.675 40.807 -30.926 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -16.235 40.234 -30.869 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -15.465 38.690 -31.132 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -14.766 38.124 -31.474 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -16.031 38.088 -30.615 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -20.126 37.559 -31.210 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -20.974 37.133 -31.378 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -19.585 36.856 -30.804 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -19.380 40.184 -31.254 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -19.615 39.226 -31.287 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -19.954 40.589 -31.912 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -12.706 37.919 -28.243 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -12.461 37.328 -27.499 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -12.074 37.668 -28.961 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -24.572 35.879 -26.806 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -25.143 35.466 -27.485 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -23.768 35.314 -26.791 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -10.812 36.937 -29.934 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -11.032 36.080 -30.349 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -9.832 36.937 -29.899 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -20.748 42.389 -15.963 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -21.565 41.896 -16.162 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.974 43.323 -16.175 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -16.845 48.236 -20.351 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -16.322 48.772 -20.977 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -16.448 47.340 -20.422 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -21.548 51.953 -20.924 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -22.247 51.364 -20.605 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -21.882 52.845 -20.731 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -22.061 46.785 -18.413 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -21.790 47.554 -18.958 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -23.010 46.951 -18.217 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -11.582 41.282 -18.366 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -11.295 41.187 -17.432 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -12.286 41.968 -18.328 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -22.623 40.709 -17.329 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -23.250 40.204 -17.896 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -22.528 40.152 -16.528 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -22.302 42.632 -19.256 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -21.572 43.198 -18.961 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -22.350 41.925 -18.570 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -11.216 40.988 -15.632 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -11.898 40.597 -15.059 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -10.899 41.766 -15.128 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -22.285 39.386 -14.889 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -22.936 39.950 -14.415 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -22.074 38.681 -14.251 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.908 49.977 -25.062 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -16.630 49.355 -25.301 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -16.350 50.855 -25.060 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -13.688 43.004 -18.125 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -14.367 42.527 -17.615 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -13.874 43.958 -17.941 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -19.596 41.346 -18.252 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -19.942 41.633 -17.382 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -19.724 40.387 -18.252 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -16.611 51.492 -18.133 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -16.577 50.624 -17.655 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -15.904 52.020 -17.711 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -12.317 38.858 -19.370 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -11.921 39.678 -18.988 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -13.273 39.070 -19.432 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -14.307 50.692 -19.756 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -15.181 51.002 -19.456 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -14.485 50.287 -20.631 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -15.164 49.512 -22.179 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -15.549 49.949 -22.957 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -14.649 48.779 -22.553 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -14.471 47.468 -15.978 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -13.866 48.198 -16.239 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -14.682 47.651 -15.035 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -17.094 44.429 -27.727 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -16.461 45.175 -27.660 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -16.544 43.674 -28.010 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -14.554 45.544 -17.920 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -14.677 46.044 -18.738 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -14.520 46.231 -17.218 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -22.619 44.664 -22.406 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -22.130 45.456 -22.102 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -22.043 43.910 -22.142 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -17.118 50.431 -14.000 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -16.541 50.983 -13.422 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -17.547 51.086 -14.606 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -14.093 47.897 -24.552 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -13.546 47.542 -25.286 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -14.481 48.718 -24.917 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -23.832 43.206 -15.317 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -23.874 42.343 -14.842 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -23.379 43.803 -14.689 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -12.210 51.961 -18.365 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -12.850 51.612 -19.022 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -11.502 52.337 -18.898 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -21.604 54.560 -9.559 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -21.106 55.275 -9.154 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -21.261 54.515 -10.475 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -22.007 46.147 -26.316 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -21.250 45.624 -26.662 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -22.184 46.793 -27.009 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -23.359 50.277 -19.658 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -24.267 50.077 -19.906 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -23.447 50.952 -18.942 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -23.553 52.471 -18.040 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -23.650 53.079 -18.799 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -22.851 52.873 -17.509 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -13.216 42.190 -13.182 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -13.184 41.749 -12.313 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -14.161 42.148 -13.433 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -21.390 44.963 -16.496 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -21.603 45.623 -17.190 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -21.603 45.414 -15.669 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -14.727 48.569 -29.027 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -14.642 48.928 -29.914 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -14.549 49.337 -28.438 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -18.337 39.656 -28.597 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -17.597 40.174 -28.970 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -19.079 39.843 -29.197 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -18.085 43.457 -19.145 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -18.538 42.629 -18.878 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -18.814 44.050 -19.418 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -20.373 44.473 -24.108 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -21.305 44.419 -23.849 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -20.277 43.785 -24.802 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -24.706 46.792 -17.563 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -24.700 45.807 -17.665 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -25.611 47.045 -17.775 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -22.598 40.778 -25.624 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -23.477 41.205 -25.602 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -22.766 39.903 -26.041 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -24.369 42.969 -21.027 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -24.066 43.741 -21.534 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -23.647 42.804 -20.389 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -23.757 44.364 -24.910 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -23.271 45.021 -25.449 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -23.518 44.588 -23.987 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -20.480 42.501 -26.023 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -21.310 41.976 -26.017 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -19.770 41.822 -25.998 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -26.034 53.100 -12.691 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -26.063 53.059 -11.709 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -25.815 54.020 -12.881 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -21.100 42.484 -21.755 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -21.471 42.281 -20.872 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -21.195 41.644 -22.253 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -17.874 51.833 -25.432 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -18.288 50.957 -25.579 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -18.611 52.408 -25.208 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -13.276 49.574 -17.284 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -12.501 50.150 -17.378 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -13.735 49.655 -18.141 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -17.121 37.268 -29.368 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -17.802 36.588 -29.582 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -17.646 38.027 -29.021 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -20.169 45.154 -19.641 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -20.333 45.598 -20.500 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -20.804 45.581 -19.032 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -18.501 49.069 -25.685 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -18.773 48.646 -26.530 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -18.929 48.519 -25.000 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -24.663 46.566 -14.742 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -24.610 46.751 -15.698 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -23.813 46.142 -14.531 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -12.563 47.102 -10.962 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -13.343 46.509 -10.911 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -12.943 47.998 -10.919 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -16.545 46.627 -24.496 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -16.660 46.393 -25.431 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -15.677 47.070 -24.468 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -15.383 45.954 -20.929 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -15.515 45.018 -20.652 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -14.798 45.886 -21.712 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -18.679 49.935 -19.219 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -18.010 49.333 -19.622 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -18.168 50.733 -18.988 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -20.836 46.733 -21.743 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -20.606 47.076 -22.638 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -20.921 47.543 -21.193 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -18.394 51.856 -15.950 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -17.914 51.841 -16.797 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -18.765 52.765 -15.901 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -16.302 49.419 -16.513 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -16.591 49.625 -15.607 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -15.777 48.600 -16.417 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -26.575 43.328 -15.328 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -25.595 43.265 -15.337 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -26.808 43.483 -16.254 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -14.349 50.667 -27.316 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -14.208 51.619 -27.286 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -14.872 50.476 -26.516 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -23.043 52.501 -12.364 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.815 51.973 -12.614 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -23.047 52.475 -11.380 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -20.996 40.245 -23.453 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -21.746 40.429 -24.061 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -20.232 40.158 -24.046 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -11.453 39.195 -11.823 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -12.125 39.746 -11.379 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -10.712 39.809 -11.982 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.503 43.313 -20.217 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -14.802 43.172 -19.551 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -16.337 43.285 -19.702 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -21.604 38.339 -21.466 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -21.354 39.008 -22.136 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -22.582 38.297 -21.526 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -23.175 52.339 -9.648 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -22.719 51.559 -9.249 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -22.606 53.104 -9.399 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -15.373 51.797 -12.342 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -15.350 52.444 -13.082 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -15.664 52.331 -11.568 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -27.122 49.130 -10.365 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -28.077 48.893 -10.416 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -26.862 49.259 -11.285 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -16.256 47.631 -10.858 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -15.672 46.841 -10.808 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -15.644 48.389 -10.715 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -20.194 47.206 -24.358 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -19.920 46.265 -24.383 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.930 47.250 -24.992 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -19.732 44.833 -27.251 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -20.024 43.959 -26.914 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -18.782 44.690 -27.487 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -14.725 45.474 -10.396 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -14.924 44.520 -10.360 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -14.522 45.710 -9.457 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -12.694 46.217 -26.339 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -11.930 46.351 -26.912 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -12.519 45.353 -25.902 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -12.409 43.853 -24.906 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -12.805 43.086 -25.379 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -11.790 43.442 -24.278 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -15.298 46.475 -27.349 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -14.381 46.327 -27.050 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -15.216 47.188 -28.025 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -14.018 45.454 -23.280 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -13.892 46.333 -23.688 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -13.401 44.873 -23.768 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -21.042 48.836 -19.965 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -20.306 49.490 -19.936 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -21.856 49.392 -19.967 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -10.787 45.625 -12.543 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -11.448 46.149 -12.041 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -10.411 46.257 -13.167 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -10.413 43.634 -10.540 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -10.654 44.174 -9.768 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -10.483 44.251 -11.291 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -13.072 40.642 -28.489 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -13.002 39.666 -28.363 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -12.551 40.813 -29.282 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -11.636 41.311 -23.632 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -11.632 40.458 -23.141 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -12.224 41.145 -24.398 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -10.777 43.117 -13.815 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -11.716 42.873 -13.635 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -10.693 44.018 -13.445 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -12.847 38.976 -14.182 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -12.366 38.953 -13.321 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -13.758 39.180 -13.939 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -23.755 41.510 -9.626 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -23.462 42.336 -9.188 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -24.471 41.169 -9.042 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -9.438 39.326 -8.931 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -9.631 39.024 -9.829 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -8.770 40.031 -9.055 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -15.956 40.839 -26.135 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -15.803 39.944 -26.528 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -15.905 41.448 -26.905 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -24.593 44.112 -17.783 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -24.284 43.552 -18.511 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -24.195 43.704 -16.981 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -8.632 38.139 -14.082 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -9.402 38.134 -14.675 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -8.303 37.219 -14.110 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -15.350 38.565 -27.523 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -15.917 38.044 -28.117 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -14.440 38.318 -27.783 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -25.735 53.179 -9.960 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -25.770 53.956 -9.388 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -24.836 52.804 -9.802 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -15.651 48.130 -13.606 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -15.817 47.811 -12.705 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -16.152 48.965 -13.658 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -7.694 35.557 -14.471 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -8.063 34.675 -14.245 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -7.955 35.689 -15.404 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -21.171 55.718 -14.215 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -22.083 55.360 -14.317 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -20.884 55.385 -13.341 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -21.151 57.256 -16.463 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -21.125 56.827 -15.575 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -21.741 58.008 -16.343 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -19.259 54.436 -15.822 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -18.860 55.171 -16.345 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -19.871 54.888 -15.206 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -14.371 52.220 -16.634 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -13.556 52.442 -17.130 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -14.246 51.289 -16.385 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -23.565 54.384 -14.319 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -24.180 53.926 -14.902 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -23.366 53.729 -13.618 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -22.763 54.289 -19.976 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -22.223 54.494 -19.179 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -22.788 55.118 -20.464 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -21.455 54.681 -17.617 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -21.430 55.617 -17.339 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -20.655 54.295 -17.219 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -14.792 40.165 -19.592 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -14.239 40.744 -20.166 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -15.207 40.784 -18.961 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -11.375 39.107 -22.016 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -10.946 38.222 -21.989 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -11.855 39.164 -21.168 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.432 40.884 -22.744 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.508 41.598 -22.072 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -24.626 41.331 -23.588 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -25.506 39.125 -25.020 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -25.459 40.090 -24.943 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -24.715 38.888 -25.553 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -25.045 42.002 -25.213 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -24.572 42.872 -25.141 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -25.917 42.238 -25.554 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -18.676 40.459 -25.876 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -18.713 39.989 -26.734 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -17.734 40.710 -25.785 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -24.245 40.999 -13.845 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -24.953 40.378 -14.145 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -24.582 41.347 -12.991 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -22.195 39.554 -10.888 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -22.672 40.254 -10.400 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -22.903 39.068 -11.359 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -18.280 46.756 -6.681 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -19.071 46.277 -6.364 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -18.075 46.336 -7.547 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -19.212 44.078 -3.823 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -18.593 43.325 -3.939 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.077 43.649 -3.656 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -23.466 44.567 -0.279 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -22.498 44.594 -0.494 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -23.654 45.453 0.053 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -12.670 50.131 -1.678 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -11.897 50.643 -1.429 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -12.364 49.195 -1.635 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -25.965 44.659 -8.226 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -26.474 44.334 -8.992 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -26.195 45.616 -8.177 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -26.591 47.313 -8.372 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -26.689 47.978 -9.088 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -26.074 47.781 -7.684 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -10.678 41.700 -0.726 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -10.239 42.451 -1.168 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -10.811 41.043 -1.453 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -25.736 43.852 -1.755 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -24.884 44.124 -1.356 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -26.069 43.174 -1.160 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -21.349 42.395 -3.746 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -21.470 41.421 -3.706 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -21.740 42.653 -4.610 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -8.921 41.772 3.115 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -8.515 41.323 2.352 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -9.183 41.046 3.712 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -16.676 50.543 -8.962 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -16.806 50.198 -8.052 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -17.440 50.206 -9.452 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -24.825 48.726 -6.812 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -24.281 48.563 -6.033 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -25.419 49.470 -6.539 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -14.149 45.982 -7.825 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -14.618 46.440 -7.116 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -13.750 45.197 -7.384 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -17.221 48.995 -0.794 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -17.211 49.633 -0.078 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -16.592 49.363 -1.451 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -17.505 49.321 -6.548 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -17.374 49.582 -5.628 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -17.686 48.347 -6.499 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -15.865 42.574 2.152 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -15.552 43.386 2.599 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -16.573 42.888 1.546 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -23.334 44.031 -8.643 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -23.214 44.577 -9.445 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -24.248 44.242 -8.351 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -20.806 44.756 -0.581 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -20.079 45.394 -0.493 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -20.362 43.911 -0.787 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -23.993 45.716 -10.816 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -23.781 46.539 -10.314 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -24.906 45.844 -11.103 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -11.414 42.756 2.749 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -11.482 43.725 2.619 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -10.449 42.590 2.847 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -11.182 45.774 -8.858 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -11.458 46.345 -9.601 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -11.969 45.725 -8.295 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -22.844 42.067 0.864 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -23.630 41.744 1.353 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -23.118 42.940 0.518 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -24.366 41.442 -4.363 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -24.822 42.130 -4.900 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -23.757 41.944 -3.808 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -16.888 39.093 7.539 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -17.314 39.745 6.949 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -15.944 39.157 7.321 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -24.820 40.867 2.406 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -24.532 40.878 3.342 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -25.708 40.484 2.435 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -25.260 43.643 -5.783 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -25.571 43.918 -6.673 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -25.914 44.053 -5.166 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -22.506 43.535 -6.015 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -23.453 43.660 -5.784 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -22.505 43.523 -6.994 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -18.088 43.200 0.659 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -17.786 43.732 -0.112 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -18.778 42.617 0.284 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -25.217 39.367 -6.062 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.459 39.866 -6.869 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -24.769 40.027 -5.501 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -17.657 41.815 -3.621 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -18.108 40.985 -3.352 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -16.978 41.953 -2.932 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -19.990 42.125 -1.193 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -20.277 41.243 -0.921 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -20.354 42.226 -2.094 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -17.513 45.740 -9.084 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -17.184 46.425 -9.689 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -16.998 44.954 -9.314 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -15.325 50.425 -2.246 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -14.401 50.200 -1.989 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -15.241 51.261 -2.708 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -19.403 48.896 -8.524 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -18.759 49.121 -7.823 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -20.058 48.320 -8.067 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -18.095 41.328 6.392 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -17.369 41.874 6.767 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -18.026 41.475 5.419 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -18.363 46.565 -0.045 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -18.024 47.448 -0.319 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -17.935 45.944 -0.671 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -20.582 45.503 -5.778 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -20.036 45.205 -5.018 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -21.261 44.801 -5.871 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -14.512 49.685 -10.702 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -15.013 50.109 -9.980 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -14.526 50.350 -11.422 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -23.024 38.805 1.830 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -23.636 38.130 2.192 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -23.525 39.635 1.897 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -16.296 53.047 -10.109 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -16.426 52.237 -9.573 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -16.331 53.763 -9.470 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -21.872 50.121 -8.736 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -20.953 49.915 -8.998 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -21.983 49.660 -7.888 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -21.494 47.699 -7.196 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -22.159 47.292 -7.776 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -21.219 46.970 -6.595 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -23.552 47.863 -9.191 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -24.113 48.079 -8.418 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -23.059 48.686 -9.361 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -18.111 41.980 3.764 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -17.400 41.866 3.104 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -18.944 41.868 3.244 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -17.514 44.484 -1.646 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -18.074 44.512 -2.453 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -16.732 43.962 -1.915 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -27.202 51.252 -8.596 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -26.797 51.971 -9.115 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -27.167 50.479 -9.194 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -15.902 53.257 -14.589 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -16.562 53.830 -14.992 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -15.319 52.998 -15.334 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -18.899 48.149 -11.139 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -19.196 48.310 -10.221 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -17.948 47.931 -11.047 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -19.039 48.518 -13.804 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -19.194 48.288 -12.858 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -18.393 49.253 -13.765 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -18.856 45.243 2.311 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -18.699 44.430 1.781 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -18.740 45.971 1.660 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -21.010 42.185 5.734 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -20.172 41.724 5.575 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -20.979 42.954 5.124 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -17.245 44.545 4.381 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -17.557 43.621 4.282 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -17.776 45.046 3.724 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -7.546 44.694 -7.493 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -6.699 44.980 -7.890 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -8.218 45.100 -8.055 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -23.242 40.509 4.779 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -22.706 39.944 4.204 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -22.593 41.113 5.191 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -20.531 42.001 2.482 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -20.807 42.837 2.899 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -21.237 41.816 1.831 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -20.839 44.325 3.980 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -20.142 44.703 3.394 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -21.355 45.092 4.254 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -15.863 42.630 7.439 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -15.554 43.066 8.264 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -15.236 41.888 7.315 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -14.557 44.470 3.795 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -14.097 44.098 4.561 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -15.452 44.693 4.138 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -23.991 38.975 7.108 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -24.825 39.233 7.544 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -23.963 39.519 6.296 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -26.069 39.117 9.037 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -25.406 38.815 9.696 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -26.790 39.492 9.583 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -26.598 50.630 -6.036 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -27.158 51.131 -5.437 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -26.898 50.906 -6.936 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -11.638 47.616 -1.632 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -11.057 47.415 -2.371 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -11.773 46.751 -1.193 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -8.082 42.025 -6.993 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -7.772 42.950 -7.086 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -7.812 41.598 -7.834 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -12.299 45.305 2.349 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -12.439 46.192 2.003 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -13.128 45.103 2.832 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -12.175 41.537 6.071 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -12.746 41.351 6.837 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -11.520 42.187 6.412 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -15.475 42.441 -1.867 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -15.199 41.574 -2.226 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -14.725 42.712 -1.295 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -13.178 42.856 -0.287 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -12.349 42.345 -0.406 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -12.893 43.787 -0.365 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -10.111 38.212 7.054 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -9.769 37.289 7.099 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -9.849 38.600 7.899 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -26.972 44.777 -4.015 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -27.685 45.338 -3.697 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -26.537 44.451 -3.194 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -10.102 37.793 3.260 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -9.754 37.142 3.885 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -10.130 38.632 3.776 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -25.149 37.370 2.804 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -25.448 36.484 2.501 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -25.977 37.853 2.978 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -12.618 36.814 2.682 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -12.388 35.879 2.526 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -11.759 37.239 2.868 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -27.440 38.392 -8.461 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -28.185 38.387 -9.101 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -27.505 37.519 -8.013 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -24.115 35.251 8.618 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -24.438 35.227 7.711 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -24.893 34.995 9.155 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -16.767 37.649 10.954 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -16.848 38.616 10.795 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -15.851 37.534 11.248 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -24.970 41.969 17.901 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -24.531 42.735 17.519 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -25.808 41.890 17.386 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -12.613 39.313 16.800 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -12.440 38.516 16.254 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -11.920 39.936 16.528 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -25.877 41.716 20.502 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -25.579 42.492 20.985 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -25.504 41.831 19.604 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -14.826 40.419 18.047 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -14.932 40.212 18.979 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -13.980 39.993 17.799 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -20.657 35.880 15.501 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -21.589 36.028 15.246 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -20.290 36.779 15.604 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -14.826 40.292 15.282 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -15.133 40.659 16.138 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -14.088 39.708 15.531 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -17.957 44.384 7.034 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -17.134 43.928 7.298 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -17.771 44.703 6.129 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -15.049 43.403 9.946 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -14.576 43.935 10.623 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -14.657 42.509 10.037 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -12.424 33.932 11.185 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -13.154 34.413 10.721 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -12.736 32.994 11.203 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -19.953 44.876 10.275 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -20.172 44.241 9.558 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -19.832 45.715 9.818 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -24.354 39.259 17.376 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -24.475 40.153 17.760 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -23.561 39.348 16.802 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -20.169 43.901 12.867 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -21.035 44.127 13.255 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -20.139 44.410 12.031 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -19.543 41.305 13.255 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -19.524 42.290 13.193 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -18.732 41.079 13.742 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -28.823 39.847 13.603 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -29.249 40.171 14.423 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -29.121 38.916 13.530 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -27.814 42.459 10.310 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -28.191 43.330 10.160 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -26.849 42.617 10.351 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -22.243 41.263 13.774 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -21.284 41.258 13.565 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -22.450 42.214 13.919 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -22.710 43.976 14.090 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -22.761 44.677 14.748 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -23.597 43.995 13.649 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -25.070 42.635 10.497 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -24.901 41.862 11.080 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -24.442 42.527 9.774 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -26.672 41.630 13.662 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -25.930 41.200 13.182 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -27.435 41.034 13.503 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -13.460 43.918 12.119 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -13.030 44.457 12.787 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -13.410 43.007 12.476 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -17.006 36.622 14.598 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -16.299 35.963 14.444 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -17.306 36.439 15.513 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -16.837 40.285 10.135 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -16.961 40.009 9.203 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -17.281 41.158 10.189 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -25.169 43.872 12.970 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -25.870 43.286 13.315 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -25.144 43.674 12.014 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -29.105 39.024 18.079 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -29.387 38.132 18.376 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -28.290 38.855 17.564 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -17.757 43.023 10.276 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -16.835 43.352 10.207 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -18.273 43.810 10.536 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -20.040 43.094 8.192 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -19.269 43.565 7.791 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -20.607 42.872 7.427 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -26.901 38.973 16.439 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -26.010 38.893 16.839 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -27.034 39.939 16.350 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -19.606 38.354 16.182 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -18.943 38.841 15.642 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -19.069 37.882 16.845 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -17.520 36.366 17.308 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -17.539 35.524 17.820 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -16.717 36.803 17.612 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -14.129 40.450 7.771 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -14.058 40.538 8.749 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -13.708 39.574 7.578 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -10.204 39.949 4.923 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -10.096 39.367 5.707 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -10.907 40.580 5.191 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -13.291 41.311 13.178 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -12.441 41.015 13.550 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -13.954 41.028 13.845 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -27.203 41.708 16.322 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -28.178 41.614 16.326 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -26.981 41.858 15.374 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -14.191 40.853 10.486 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -15.115 40.549 10.609 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -13.828 40.894 11.395 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -28.152 39.838 10.865 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -28.402 39.869 11.810 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -28.147 40.787 10.589 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -26.997 37.086 14.479 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -27.877 37.144 14.042 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -27.019 37.801 15.158 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -22.233 39.185 15.625 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -22.186 39.954 15.016 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -21.295 39.020 15.879 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -11.832 37.698 14.716 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -11.098 37.069 14.912 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -12.368 37.232 14.033 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -10.797 40.207 14.752 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -9.846 40.108 14.867 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -11.119 39.289 14.604 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -24.528 40.595 12.290 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -24.416 39.717 11.859 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -23.719 40.700 12.835 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -24.214 38.257 10.899 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -24.401 37.504 11.507 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -23.499 37.927 10.318 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -13.242 36.129 12.987 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -12.860 35.414 12.447 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -13.915 35.682 13.533 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -22.493 37.461 8.782 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -22.975 38.020 8.126 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -22.917 36.577 8.700 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -23.252 36.678 15.165 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -22.986 37.618 15.277 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -23.701 36.456 16.007 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -18.625 56.599 -17.312 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -18.155 57.211 -17.885 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -19.487 57.035 -17.147 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -20.673 53.961 -12.117 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -21.410 53.335 -12.285 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -19.877 53.452 -12.323 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -8.471 20.307 -30.459 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -9.093 20.295 -31.201 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -8.777 19.571 -29.885 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -12.488 23.481 -34.202 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -11.700 23.882 -33.768 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -12.590 22.616 -33.757 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 2.721 17.610 -12.497 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 1.822 17.948 -12.465 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 2.683 16.779 -11.977 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 1.267 9.695 -2.895 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 0.900 10.523 -3.272 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 0.530 9.344 -2.348 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -3.873 7.887 0.543 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -4.831 8.097 0.459 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -3.488 8.688 0.939 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 2.795 14.280 -1.296 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 3.563 13.689 -1.442 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 2.338 14.300 -2.166 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -4.941 13.226 -0.284 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -5.847 12.850 -0.369 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -4.738 13.150 0.680 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 1.281 6.570 -0.965 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 2.203 6.241 -0.899 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 0.829 5.903 -1.494 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -3.863 8.909 -6.504 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -3.297 8.211 -6.904 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -3.493 9.035 -5.625 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 9.811 9.459 2.862 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 9.460 9.809 2.008 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 9.157 8.794 3.129 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 0.000 12.144 -3.224 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -0.881 12.454 -3.523 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 0.576 12.926 -3.340 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -4.188 12.990 2.278 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -3.700 13.674 2.769 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -4.444 12.342 2.964 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -7.503 14.659 -4.344 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -8.011 15.485 -4.187 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -7.953 13.992 -3.785 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 1.468 14.434 -3.668 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 1.671 13.991 -4.513 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 1.256 15.354 -3.929 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 0.526 6.689 -6.393 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 1.349 6.394 -6.799 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 0.808 7.208 -5.633 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 3.399 11.524 -3.708 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 2.845 10.771 -3.447 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 3.778 11.848 -2.869 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 4.548 9.214 2.371 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 5.013 10.009 2.041 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 3.728 9.169 1.823 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -2.191 13.609 -4.195 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -3.151 13.427 -4.146 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -2.078 14.071 -5.051 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -5.016 13.639 -3.657 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -5.304 12.978 -3.009 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -5.856 13.985 -4.037 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -1.863 12.991 5.638 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -1.981 13.661 4.929 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -2.737 12.961 6.085 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -4.261 12.690 7.005 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -5.104 12.338 7.364 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -3.916 13.260 7.731 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -6.355 9.811 -7.196 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -5.455 9.550 -6.889 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -6.414 9.449 -8.083 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 2.692 15.528 -10.686 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 3.560 15.498 -10.217 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 2.442 14.601 -10.776 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -6.504 8.578 0.650 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -6.904 8.280 1.485 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -7.187 9.150 0.252 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -8.583 12.367 -3.206 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -8.310 11.723 -3.897 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -9.548 12.451 -3.332 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 10.927 17.209 3.491 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 11.543 16.857 2.809 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 11.349 18.045 3.792 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -6.432 18.056 -3.532 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -7.297 17.702 -3.835 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -6.378 17.781 -2.609 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 5.031 18.262 -9.371 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 5.001 17.276 -9.331 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 5.230 18.453 -10.317 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 7.629 9.316 6.865 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 7.291 8.845 6.078 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 6.835 9.534 7.368 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -4.538 11.467 4.531 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -3.710 10.952 4.467 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -4.497 11.878 5.419 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 5.325 6.020 6.088 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 5.736 6.763 5.601 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 6.060 5.438 6.297 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -2.404 5.662 0.909 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -2.997 6.423 0.694 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -2.984 4.898 0.884 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -2.095 6.939 -7.224 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -2.248 6.111 -7.684 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -1.160 6.882 -6.929 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 3.448 8.659 -1.548 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 2.682 8.915 -2.112 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 3.504 7.691 -1.647 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 1.101 10.449 6.101 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 1.834 10.160 6.700 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 1.556 10.715 5.276 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 3.947 5.895 -0.971 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 4.374 6.173 -0.130 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 4.490 5.159 -1.278 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -7.695 8.085 3.190 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -7.410 9.004 3.422 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -7.107 7.520 3.701 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 2.238 8.818 1.026 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 1.355 8.406 1.088 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 2.493 8.697 0.089 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -0.889 9.543 -1.254 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -1.022 8.880 -0.552 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -1.671 10.135 -1.176 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -2.619 11.499 -0.431 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -3.416 12.061 -0.450 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -2.664 11.047 0.438 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 0.627 13.595 -6.323 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -0.214 14.097 -6.389 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 0.367 12.678 -6.478 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -8.221 10.915 -5.538 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -8.407 11.725 -6.055 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -7.519 10.455 -6.057 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 2.742 15.350 -6.257 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 2.190 16.057 -5.870 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 2.097 14.645 -6.487 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -10.025 9.600 2.867 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -10.662 9.026 2.417 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -9.277 9.003 3.086 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 4.856 17.704 -5.534 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 4.710 17.843 -4.574 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 4.465 16.829 -5.711 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -3.464 15.621 -2.658 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -2.633 15.148 -2.838 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -4.161 14.989 -2.951 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -3.672 17.970 -4.014 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -3.612 17.119 -3.529 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -4.636 18.143 -4.070 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 5.260 14.425 -6.855 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 5.401 13.787 -6.127 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 4.331 14.721 -6.733 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 9.261 18.320 -10.560 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 9.998 17.700 -10.597 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 9.551 19.073 -11.126 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 5.654 12.657 -4.776 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 5.934 12.923 -3.889 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 4.806 12.182 -4.624 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -8.311 14.228 1.182 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -8.536 13.696 1.971 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -8.053 13.562 0.511 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -1.741 15.075 -6.545 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -1.591 16.013 -6.284 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -2.370 15.131 -7.275 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 0.989 16.959 -4.753 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 1.171 17.754 -4.240 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 0.096 17.120 -5.133 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -0.489 7.632 0.814 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -1.140 6.912 0.996 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 0.120 7.236 0.152 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -1.509 17.672 -5.687 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -1.314 18.558 -6.070 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -2.310 17.823 -5.135 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 4.964 6.632 1.511 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 4.836 7.563 1.799 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 4.467 6.114 2.160 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -9.007 16.958 -3.864 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -9.766 17.298 -4.379 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -9.369 16.842 -2.953 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -11.928 18.226 7.206 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -12.806 17.937 6.898 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -11.895 17.941 8.143 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 2.189 17.970 -9.352 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 3.129 18.170 -9.496 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 2.086 17.060 -9.687 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 5.049 15.540 -9.326 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 5.253 15.049 -8.497 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 5.916 15.602 -9.790 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -12.144 17.272 9.817 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -12.171 16.526 10.450 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -11.761 18.011 10.342 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -2.659 9.586 6.822 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -3.518 9.511 7.272 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -2.255 8.698 6.928 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -1.934 10.516 4.348 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -1.648 11.393 4.667 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -2.022 9.983 5.167 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -1.888 6.885 6.685 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -0.934 7.126 6.570 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -2.039 6.207 6.017 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -2.128 9.764 1.697 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -2.115 9.982 2.656 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -1.498 9.019 1.612 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 2.930 6.550 7.274 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 2.763 5.736 7.802 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 3.772 6.357 6.800 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 7.260 15.922 7.905 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 7.719 16.018 7.050 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 7.942 16.164 8.573 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -2.939 7.236 9.197 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -3.806 7.490 8.869 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -2.440 6.985 8.390 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 0.615 7.641 6.158 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 0.800 8.594 6.068 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 1.471 7.255 6.441 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -0.905 20.143 -6.700 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 0.004 20.141 -7.083 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -1.459 20.488 -7.411 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -12.291 17.836 -0.116 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -12.498 18.081 -1.055 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -12.832 17.052 0.046 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -11.014 12.692 -4.622 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -10.365 12.992 -5.295 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -11.828 13.200 -4.833 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 7.947 18.717 0.499 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 8.083 18.083 1.236 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 8.588 18.423 -0.186 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 6.429 20.006 2.403 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 7.255 20.194 2.895 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 6.720 19.445 1.657 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 5.911 13.575 8.449 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 6.552 14.299 8.316 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 5.318 13.640 7.671 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 7.988 13.152 -6.116 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 7.178 12.737 -5.740 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 7.651 13.742 -6.808 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 4.929 12.598 -1.611 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 5.242 11.741 -1.247 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 5.668 13.221 -1.424 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 9.808 10.541 8.105 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 9.089 10.061 7.642 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 10.593 10.394 7.541 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 7.578 7.445 2.241 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 8.128 7.626 1.469 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 6.792 6.994 1.874 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 6.412 8.095 4.622 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 5.638 8.531 4.229 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 6.945 7.812 3.847 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -8.882 13.007 8.214 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -8.938 12.952 7.244 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -9.776 13.309 8.482 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -2.746 14.907 3.748 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -3.226 15.500 4.338 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -2.708 15.402 2.891 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -10.184 18.734 5.211 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -9.341 18.286 5.331 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -10.656 18.594 6.068 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -3.021 16.313 1.463 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -2.349 16.951 1.138 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -3.739 16.363 0.805 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -7.757 16.706 0.262 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -7.978 15.830 0.672 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.819 16.610 -0.007 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -5.093 16.014 -0.477 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -5.144 15.056 -0.270 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -4.495 16.055 -1.250 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -12.912 18.205 -2.741 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -12.219 17.981 -3.388 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -13.677 18.429 -3.286 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 1.548 20.189 -7.914 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 2.424 20.227 -7.480 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 1.602 19.387 -8.486 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 0.164 13.907 13.968 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 0.237 14.727 13.434 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 0.297 14.216 14.887 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -0.183 11.176 19.129 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -0.207 10.234 19.386 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -0.323 11.160 18.168 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 2.098 11.283 12.363 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 1.651 11.143 13.227 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 2.950 11.712 12.604 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -3.527 10.519 17.048 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -2.938 11.229 16.696 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -3.437 10.593 18.004 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -5.132 11.654 14.999 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -4.437 11.534 14.323 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -4.834 11.101 15.746 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 1.686 19.722 13.208 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 2.085 18.822 13.276 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 2.098 20.215 13.951 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 1.283 13.260 20.075 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 0.635 12.622 19.698 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 1.853 12.718 20.623 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -0.306 9.624 16.764 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.090 9.135 17.583 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -0.940 9.046 16.306 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 0.199 16.398 12.813 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 0.310 16.954 12.018 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -0.611 16.751 13.247 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -2.287 6.774 18.726 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.439 7.150 17.828 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -2.868 6.010 18.762 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -2.644 7.990 16.320 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -2.466 8.050 15.356 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -3.127 8.817 16.524 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -5.246 12.755 10.915 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -6.189 13.042 11.012 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -4.968 12.555 11.824 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 2.715 17.296 13.764 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 3.651 17.009 13.665 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 2.197 16.546 13.431 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 4.533 12.298 12.934 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 4.991 12.994 13.419 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 5.157 12.043 12.229 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 2.812 9.264 7.821 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 3.009 8.305 7.782 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 3.179 9.553 8.689 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 2.541 11.037 3.744 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 2.694 10.176 3.325 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 3.422 11.424 3.818 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 0.782 11.187 14.745 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 0.323 10.842 15.541 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 0.481 12.113 14.678 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -2.853 11.291 13.451 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -2.129 11.590 12.855 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -2.590 10.380 13.701 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -0.165 8.363 19.264 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -0.968 7.796 19.155 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 0.423 7.832 19.811 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 0.685 15.644 16.120 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 1.241 16.331 15.724 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 0.018 16.143 16.633 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 3.682 10.215 10.259 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 3.065 10.491 10.966 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 4.473 10.766 10.404 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -0.631 12.123 12.073 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 0.204 11.633 11.946 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -0.404 12.810 12.737 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 10.619 19.516 6.899 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 10.749 18.692 7.417 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 9.712 19.805 7.139 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -8.622 15.061 16.887 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -7.777 14.624 16.617 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -9.265 14.348 16.880 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 1.850 16.478 22.587 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 2.067 16.399 23.519 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 1.547 15.598 22.336 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 1.385 20.224 10.555 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 1.577 20.279 11.518 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 1.240 19.270 10.400 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 5.924 11.870 10.542 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 5.836 12.383 9.700 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 6.863 11.577 10.543 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -1.747 8.707 13.830 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -1.880 8.669 12.855 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -0.785 8.529 13.944 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 0.961 8.469 14.168 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 0.966 9.407 14.446 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 1.884 8.209 14.204 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -1.968 8.847 11.144 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -2.352 8.134 10.585 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.200 9.669 10.674 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 2.629 4.291 8.824 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 3.254 3.610 9.089 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 1.863 4.145 9.388 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -0.231 8.966 8.857 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -0.518 8.633 9.726 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 0.573 8.467 8.664 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -2.136 12.552 15.918 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -2.354 12.369 14.987 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -2.443 13.474 16.061 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 5.174 16.254 9.704 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 5.814 16.091 8.981 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 5.390 15.569 10.372 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -6.400 11.743 8.467 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -6.148 12.082 9.347 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -7.313 12.083 8.333 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -3.022 15.120 16.439 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -3.738 15.789 16.526 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -2.278 15.508 16.938 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 1.807 15.589 18.731 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 1.524 15.385 17.824 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 1.632 14.762 19.230 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 8.765 16.436 10.115 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 8.211 16.992 10.702 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 8.775 15.557 10.556 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 6.153 14.456 11.581 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 7.131 14.340 11.581 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 5.817 13.626 11.197 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -7.387 17.400 17.431 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -7.881 16.583 17.175 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -7.611 17.528 18.360 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -3.141 10.938 9.628 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -3.627 11.587 10.164 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -3.830 10.315 9.325 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -5.110 9.319 8.498 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -5.599 10.153 8.307 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -5.791 8.720 8.827 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 8.802 13.937 11.231 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 9.759 14.103 11.403 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 8.773 13.000 10.937 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -3.515 14.170 9.172 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -3.580 15.133 9.335 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -4.104 13.774 9.846 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 6.728 17.987 11.186 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 6.742 18.906 10.897 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 6.023 17.573 10.644 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -6.275 13.834 16.237 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -5.408 14.135 16.536 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -6.075 13.047 15.682 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -6.340 20.982 18.019 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -5.926 21.860 18.125 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -6.052 20.487 18.808 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -4.676 17.199 16.914 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -5.645 17.289 17.022 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -4.302 17.799 17.593 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -1.379 17.200 17.216 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -0.886 17.899 16.728 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -1.961 17.693 17.818 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 2.232 17.829 20.217 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 2.080 17.033 19.654 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 2.120 17.495 21.132 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -7.703 19.766 16.026 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -7.261 20.317 16.715 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -7.652 18.854 16.387 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 5.328 16.555 13.129 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 5.887 17.230 12.705 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 5.600 15.719 12.701 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -10.769 27.368 -33.500 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -10.684 26.414 -33.685 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -10.666 27.429 -32.527 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -6.355 25.598 -30.141 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -5.469 25.612 -30.519 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -6.534 26.545 -29.907 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -10.495 25.830 -42.763 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -10.758 24.884 -42.708 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -10.940 26.153 -43.552 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -10.531 26.985 -30.826 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -9.939 26.205 -30.820 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -10.200 27.543 -30.090 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -9.085 25.781 -35.780 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -8.306 26.284 -35.480 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -9.477 26.353 -36.476 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -10.315 31.053 -30.021 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -9.730 31.831 -30.064 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -10.702 30.993 -30.923 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -7.051 28.137 -29.589 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -6.979 29.061 -29.843 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -7.929 28.079 -29.143 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -5.907 23.102 -26.070 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.024 23.384 -26.320 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -6.477 23.412 -26.804 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -9.728 26.545 -40.254 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -10.027 26.465 -41.190 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -8.805 26.273 -40.279 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -10.128 24.633 -33.498 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -9.529 24.869 -34.238 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -9.554 24.656 -32.703 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -9.734 27.652 -37.688 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -10.618 28.054 -37.530 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -9.782 27.328 -38.613 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -12.171 28.741 -37.194 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -12.369 29.608 -37.634 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -12.326 28.916 -36.243 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -11.377 20.394 -37.341 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -11.551 20.216 -36.406 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -11.198 19.515 -37.720 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -6.324 21.614 -29.460 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -5.646 20.933 -29.443 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -7.094 21.178 -29.895 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 10.587 25.178 -14.057 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 10.161 25.696 -14.785 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 10.703 24.300 -14.434 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -8.938 33.499 -29.842 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -9.775 33.820 -30.247 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -9.076 33.618 -28.876 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 7.012 31.021 -15.982 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 7.962 30.927 -16.218 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 6.607 30.192 -16.290 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 9.364 26.462 -16.120 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 8.381 26.528 -16.151 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 9.660 27.045 -16.826 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 1.826 22.840 -11.481 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 1.614 22.139 -12.101 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 1.709 23.667 -12.005 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -5.469 33.754 -11.639 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -5.298 32.828 -11.362 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -6.397 33.895 -11.426 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -9.629 37.478 -19.133 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -9.573 37.285 -20.092 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -10.404 38.054 -19.052 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -0.414 31.266 -10.517 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 0.191 31.427 -9.773 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -1.103 30.684 -10.137 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 4.899 22.257 -8.507 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 4.800 21.397 -8.057 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 3.982 22.509 -8.739 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -1.435 25.299 -13.238 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -1.612 25.981 -12.556 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -2.307 25.061 -13.564 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -9.544 25.516 -27.517 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -8.808 24.901 -27.696 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -10.169 24.992 -26.979 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 2.416 29.672 -15.357 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 1.949 29.909 -14.522 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 2.141 30.351 -15.983 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 6.653 26.817 -16.323 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 5.967 26.235 -16.659 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 6.160 27.584 -15.958 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 1.931 33.076 -8.202 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 2.633 32.903 -7.545 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 1.225 32.428 -7.974 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 1.597 27.088 -14.704 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 2.065 27.927 -14.876 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 0.837 27.118 -15.290 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 4.192 36.387 -13.323 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 4.027 37.035 -14.048 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 3.513 36.610 -12.645 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 5.096 28.892 -15.426 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 5.271 29.498 -14.687 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 4.131 28.970 -15.569 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -9.523 28.075 -28.487 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -10.147 28.691 -28.050 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -9.647 27.222 -28.009 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 1.124 30.087 -12.947 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 1.996 29.915 -12.534 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 0.612 30.536 -12.249 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 5.283 31.220 -13.890 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 4.933 32.130 -13.935 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 5.992 31.203 -14.574 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 1.243 24.944 -13.058 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 0.267 24.916 -13.198 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 1.565 25.561 -13.750 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 5.354 18.200 -12.106 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 4.417 17.999 -12.346 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 5.660 18.774 -12.817 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -7.445 21.451 -24.569 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -6.927 21.157 -23.816 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -6.833 22.042 -25.068 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -11.149 34.498 -21.085 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -11.839 33.878 -21.421 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -11.613 35.008 -20.381 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -5.511 31.181 -10.556 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -5.606 31.266 -9.587 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.037 30.337 -10.673 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -4.923 35.962 -7.945 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -4.977 36.925 -7.776 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -4.163 35.871 -8.556 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 0.959 27.364 -11.701 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 0.987 28.010 -12.430 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 1.052 26.497 -12.146 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 3.566 27.176 -10.777 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 2.594 27.187 -10.902 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 3.891 27.816 -11.435 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -3.520 26.474 -8.630 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -3.144 26.446 -7.735 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -4.154 25.720 -8.642 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 2.224 22.777 -8.834 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 2.068 22.896 -9.805 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 1.784 21.926 -8.628 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 8.212 20.234 -8.896 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 7.749 19.751 -8.187 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 8.571 19.525 -9.472 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -0.715 22.715 -5.499 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -0.853 21.763 -5.656 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -1.592 23.037 -5.205 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -11.360 34.345 -30.729 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -11.920 34.254 -31.533 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -11.963 34.124 -29.990 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -9.904 36.840 -21.811 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -10.382 36.001 -21.634 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -9.277 36.610 -22.514 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -8.526 35.899 -17.179 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -7.635 35.826 -17.535 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -8.971 36.545 -17.781 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 8.360 33.755 -12.669 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 7.888 33.661 -13.522 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 9.193 34.210 -12.907 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 9.765 31.153 -16.431 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 9.902 32.114 -16.381 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 10.435 30.851 -17.087 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 3.732 29.483 -12.389 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 4.226 30.079 -12.989 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 4.020 29.759 -11.491 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 6.488 24.200 -10.200 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 5.910 23.683 -9.611 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 6.968 23.516 -10.719 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -8.373 24.948 -8.340 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -9.196 24.478 -8.071 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -8.413 24.959 -9.303 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 7.125 16.584 -10.705 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 7.919 17.149 -10.639 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 6.556 17.047 -11.352 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 10.194 20.551 -11.893 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 10.502 21.438 -11.671 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 10.920 20.181 -12.454 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 2.201 36.939 -11.470 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 1.815 36.171 -10.987 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 1.465 37.585 -11.514 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -0.256 38.460 -11.253 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -1.097 37.999 -11.168 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -0.504 39.402 -11.280 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 4.000 38.073 -15.440 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 3.676 38.998 -15.396 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 4.829 38.137 -15.930 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 7.177 33.626 -15.163 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 7.141 32.725 -15.554 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 6.239 33.840 -14.972 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -8.900 34.164 -22.642 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -9.742 34.187 -22.139 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -8.298 33.680 -22.071 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 4.238 19.781 -7.277 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 4.371 19.094 -6.594 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 4.497 19.336 -8.115 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.585 24.522 0.072 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -5.664 25.070 -0.730 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.142 24.986 0.733 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -2.742 30.641 1.130 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -3.030 31.525 1.451 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -2.173 30.843 0.362 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -9.402 25.784 -4.331 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -9.096 26.698 -4.123 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -9.961 25.897 -5.128 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -0.283 34.027 0.225 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -0.432 33.821 1.172 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 0.301 34.816 0.242 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -3.185 23.573 -4.650 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -3.483 23.391 -3.737 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.959 23.316 -5.205 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -4.873 23.072 -2.460 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -5.491 22.453 -2.883 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -5.024 22.946 -1.507 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -3.120 33.238 1.901 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -3.495 34.135 1.851 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -2.258 33.365 2.346 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -1.323 20.644 0.060 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -1.753 20.329 -0.768 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -0.771 21.400 -0.233 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -8.373 34.182 2.283 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -9.311 34.446 2.371 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -8.216 33.606 3.059 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -7.447 30.456 -5.161 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -6.824 29.828 -5.577 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -6.909 31.266 -5.022 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 3.587 29.310 -2.880 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 2.797 29.550 -2.355 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 3.326 29.490 -3.796 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 3.533 33.857 2.716 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 4.306 33.599 2.173 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 3.766 34.724 3.062 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.011 26.795 -0.854 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -3.237 27.664 -0.501 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -3.798 26.534 -1.380 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -1.150 31.663 -0.934 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -1.517 32.096 -1.723 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -0.839 32.411 -0.379 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -3.009 24.731 0.957 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.861 25.504 0.372 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -3.900 24.407 0.698 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 3.242 32.082 -0.470 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 3.787 31.970 -1.282 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 3.880 32.401 0.198 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -5.225 27.382 3.244 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -5.775 27.763 3.961 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -5.881 27.052 2.589 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -5.469 26.652 -4.935 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -6.136 26.010 -5.274 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -5.682 27.482 -5.398 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -6.806 34.552 0.132 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -6.179 33.818 0.126 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -7.339 34.406 0.955 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 6.469 23.414 4.960 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 7.120 24.109 5.127 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 5.607 23.889 4.964 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -10.746 31.778 2.927 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -9.821 31.908 3.196 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -11.100 31.146 3.594 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -2.181 19.307 -2.132 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -1.896 18.461 -1.767 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -2.749 19.061 -2.891 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 1.945 22.847 -6.060 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 0.979 22.799 -5.901 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 2.023 22.958 -7.022 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -0.341 24.241 1.447 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -0.101 24.547 2.350 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -1.304 24.417 1.384 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 0.261 25.042 4.011 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -0.388 25.739 4.241 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 0.755 24.894 4.836 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -7.090 26.309 1.542 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -7.778 26.540 2.206 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -7.499 26.548 0.680 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -5.294 24.437 -8.105 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -5.189 23.752 -7.416 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -6.248 24.589 -8.144 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -7.349 24.890 -5.796 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -8.082 25.074 -5.165 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -7.754 25.019 -6.678 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -5.116 25.823 -2.355 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -5.287 26.204 -3.244 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -5.035 24.859 -2.520 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.602 29.001 -6.676 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -6.208 28.411 -7.192 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -5.610 29.844 -7.181 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -6.781 28.319 5.367 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -6.078 28.265 6.051 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -7.462 28.905 5.770 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -5.548 22.848 -5.785 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -6.294 23.478 -5.677 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -5.873 22.018 -5.366 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 0.470 22.618 -0.519 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 0.244 23.174 0.270 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 1.368 22.289 -0.331 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 0.416 29.333 -3.946 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 0.674 29.796 -3.120 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -0.092 30.007 -4.449 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 3.741 25.390 -8.674 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 3.155 24.614 -8.769 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 3.611 25.894 -9.508 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -0.213 30.908 3.666 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 0.616 30.985 3.143 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -0.538 30.023 3.466 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -8.053 26.866 -0.945 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -8.786 27.516 -0.985 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -7.564 27.010 -1.768 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -8.614 27.232 3.628 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -9.306 27.887 3.762 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -7.930 27.468 4.289 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 5.034 26.094 7.799 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 4.438 26.886 7.800 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 5.757 26.345 8.386 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 9.912 24.098 -5.785 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 9.673 23.473 -6.502 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 10.659 24.623 -6.165 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 12.758 28.741 5.657 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 12.242 28.020 6.094 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 13.249 29.151 6.380 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -3.065 33.068 -4.207 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -3.482 33.867 -4.580 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -2.485 33.415 -3.490 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -7.461 27.611 -7.981 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -8.136 28.239 -8.325 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -7.874 26.737 -8.087 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.341 31.016 -5.230 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -1.911 31.741 -4.896 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -1.974 30.351 -5.576 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -2.002 36.876 -2.712 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -2.531 37.290 -3.416 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -2.573 36.951 -1.906 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -0.569 33.515 2.952 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 0.238 33.905 3.307 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -0.525 32.571 3.236 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -12.736 18.918 4.226 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -13.386 18.412 4.752 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -11.892 18.801 4.715 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -3.941 35.918 2.064 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -3.555 36.282 2.870 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -4.811 36.340 2.004 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -2.050 29.814 -8.746 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -2.306 29.502 -7.853 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -2.770 29.490 -9.326 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 0.046 31.213 -7.649 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -0.247 31.312 -6.721 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -0.672 30.696 -8.068 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -1.498 34.200 -2.277 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -1.603 35.142 -2.529 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -1.092 34.236 -1.387 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -2.929 26.171 -5.715 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -2.729 25.257 -5.432 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -3.845 26.324 -5.389 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 5.190 35.147 -1.011 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 4.316 34.864 -1.370 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 4.962 35.853 -0.370 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -6.642 20.700 -4.442 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -7.549 20.662 -4.821 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -6.479 19.790 -4.129 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -5.565 32.449 -5.262 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -4.734 32.284 -4.775 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -5.628 33.429 -5.292 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -10.765 34.954 5.499 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.855 33.999 5.737 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -10.169 35.312 6.193 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 1.112 34.873 -10.088 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 0.205 34.591 -10.310 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 1.383 34.263 -9.365 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -14.129 27.442 7.667 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -14.577 28.221 8.024 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -13.419 27.820 7.089 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -1.787 27.098 -11.183 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -0.834 27.318 -11.118 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -2.021 26.781 -10.294 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 4.335 25.104 5.304 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 3.367 25.000 5.403 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 4.622 25.467 6.171 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -8.901 29.765 6.419 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -9.684 29.875 5.837 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -9.279 29.719 7.314 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -2.868 28.913 -6.234 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -3.845 28.952 -6.338 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -2.693 27.977 -6.002 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -3.213 30.026 5.716 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -2.473 30.640 5.746 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -3.163 29.635 4.816 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -3.993 28.664 -10.315 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -4.147 27.933 -9.678 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -3.400 28.272 -10.983 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 3.427 28.268 7.740 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 3.113 28.815 7.013 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 2.778 28.427 8.457 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -3.574 25.206 3.627 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -3.407 24.884 2.721 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -4.245 25.911 3.511 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -0.558 21.099 2.738 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -1.247 21.698 3.043 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -0.832 20.863 1.830 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -2.926 28.902 3.228 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -3.763 28.416 3.059 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -2.841 29.509 2.454 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 1.770 24.867 6.504 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 2.242 24.385 7.208 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 1.173 25.476 6.993 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 6.249 25.991 3.454 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 5.461 25.890 4.024 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 6.654 26.830 3.749 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -2.794 25.057 9.260 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -2.958 25.638 10.033 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -2.726 25.682 8.505 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -0.952 18.011 0.644 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -1.210 18.950 0.532 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -0.045 18.057 0.991 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -1.734 26.875 4.624 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -2.366 26.172 4.337 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -2.030 27.673 4.132 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -1.731 37.057 -7.088 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -0.783 36.872 -7.150 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -2.085 36.786 -7.959 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -9.332 29.428 -8.809 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -9.200 29.865 -9.685 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -9.334 30.173 -8.169 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -10.239 37.492 -2.631 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -10.210 36.993 -3.452 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -9.851 36.887 -1.967 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -6.308 37.280 0.097 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -6.431 36.313 -0.029 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -7.186 37.592 0.407 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 4.922 31.702 -2.581 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 4.617 30.789 -2.752 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 5.895 31.649 -2.672 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 1.899 31.734 2.121 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 2.451 32.470 2.464 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 2.127 31.688 1.179 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 7.829 28.264 3.941 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 7.523 29.145 4.192 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 8.709 28.195 4.339 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 11.495 26.602 6.707 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 10.952 26.159 7.365 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 12.034 25.878 6.313 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 5.841 24.410 -7.126 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 5.713 23.547 -7.565 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 5.125 24.962 -7.486 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 7.928 19.878 7.410 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 7.351 19.117 7.316 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 7.315 20.637 7.477 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -8.629 19.045 1.466 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -7.790 19.489 1.628 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -8.369 18.189 1.052 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 7.915 22.576 2.722 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 8.479 21.855 3.076 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 7.396 22.875 3.496 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 6.944 18.361 -7.218 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 6.469 18.241 -8.062 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 6.320 18.015 -6.542 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -12.368 19.936 -9.425 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -12.431 19.167 -10.040 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -13.229 19.918 -8.931 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -7.039 34.254 8.342 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -6.176 33.830 8.334 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -7.451 33.950 9.175 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 2.678 34.625 -1.821 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 2.042 35.169 -1.311 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 2.444 33.711 -1.592 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 1.263 30.534 -1.647 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 0.383 30.832 -1.324 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 1.899 31.088 -1.148 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 5.475 33.130 0.873 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 6.299 32.632 0.794 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 5.558 33.840 0.204 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -3.639 36.927 -0.550 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -3.403 36.440 0.259 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -4.568 37.185 -0.408 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -9.180 20.250 -5.556 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -9.852 20.715 -6.085 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -9.584 19.392 -5.367 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -9.711 24.655 -1.747 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -9.045 25.225 -1.333 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -9.649 24.865 -2.697 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -4.975 35.101 -5.337 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -5.522 35.851 -5.030 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -4.814 35.300 -6.287 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.948 31.525 -7.805 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -5.681 31.862 -6.921 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -6.704 32.091 -8.052 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -7.752 26.912 18.642 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -6.954 27.317 19.039 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -7.700 25.969 18.910 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -5.237 32.481 19.900 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -4.949 32.783 19.010 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -4.602 32.888 20.504 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 0.301 21.594 16.287 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 0.403 21.679 17.257 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -0.074 22.457 16.009 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -0.867 24.037 15.729 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -0.955 24.981 15.536 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -1.514 23.881 16.458 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -4.374 28.043 17.200 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -3.700 28.516 16.668 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -5.205 28.528 17.015 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -8.484 24.347 22.135 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -9.458 24.442 22.015 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -8.246 25.104 22.702 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 0.336 26.432 8.302 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 0.816 27.256 8.521 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -0.065 26.164 9.146 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -5.862 29.805 14.140 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -6.156 29.599 15.053 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -5.329 29.021 13.876 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -4.414 33.403 17.410 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -4.166 32.772 16.707 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -5.084 33.983 16.981 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -5.455 28.036 19.712 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -4.928 28.036 18.882 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -4.853 27.679 20.375 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -9.254 27.403 20.950 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -8.778 27.383 20.101 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -10.200 27.311 20.695 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 0.395 20.851 8.093 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -0.288 21.506 8.335 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 0.784 20.583 8.953 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -6.989 30.451 19.375 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -6.398 31.189 19.648 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -6.581 29.659 19.774 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -7.851 36.757 17.145 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -8.297 36.659 18.006 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -8.576 36.708 16.492 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -5.455 33.845 13.563 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -5.296 34.598 12.984 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -5.804 34.250 14.391 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 2.921 19.764 18.486 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 2.605 19.030 19.073 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 3.879 19.741 18.581 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 3.607 23.798 8.422 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 4.082 24.651 8.336 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 4.301 23.129 8.307 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -5.348 23.590 18.154 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -5.966 23.957 18.821 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.845 23.664 17.306 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -3.312 27.096 11.192 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -4.142 27.212 10.683 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -3.549 27.377 12.103 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.517 25.687 15.536 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -3.507 24.748 15.772 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.864 26.130 16.330 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -7.610 24.326 19.532 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -7.831 24.388 20.489 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -8.096 23.547 19.229 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -6.691 23.821 8.172 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -7.374 24.465 8.397 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -6.377 24.100 7.303 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -7.014 25.487 11.265 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -6.379 25.961 10.687 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -7.806 26.038 11.244 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 2.656 20.376 15.715 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 1.897 20.951 15.932 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 2.891 19.962 16.565 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -1.180 22.859 9.320 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -1.593 23.737 9.166 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -0.266 23.071 9.614 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -2.785 29.629 15.595 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -3.210 30.492 15.380 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -1.862 29.854 15.755 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -2.677 23.517 17.681 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -2.364 22.762 18.218 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -3.630 23.590 17.908 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 1.283 28.744 9.465 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 0.679 28.293 10.106 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 1.087 29.681 9.580 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -0.016 24.778 11.674 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 0.645 24.215 11.224 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -0.500 24.159 12.257 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -0.548 27.340 10.931 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -0.292 26.487 11.354 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -1.521 27.379 11.051 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -6.695 29.554 16.776 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -7.596 29.715 16.424 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -6.740 29.894 17.698 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -13.092 29.013 21.215 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -14.024 28.922 20.941 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -12.642 28.239 20.799 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -4.223 31.866 14.992 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -4.445 32.666 14.471 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -4.889 31.208 14.706 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.984 31.669 12.440 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -6.499 32.454 12.763 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.683 30.946 13.031 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -13.353 19.521 21.973 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -14.036 20.219 22.069 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -13.566 18.885 22.663 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -7.114 28.817 11.416 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -7.205 29.775 11.537 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -7.576 28.435 12.181 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 0.896 21.502 19.003 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 1.550 20.791 18.797 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 1.361 22.074 19.625 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -1.281 22.918 13.251 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -2.243 22.829 13.417 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -0.928 23.268 14.096 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -3.955 27.788 13.814 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -3.420 28.425 14.327 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -3.803 26.929 14.269 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -8.490 32.412 4.506 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -7.891 31.748 4.873 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -9.168 32.535 5.204 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -8.590 34.530 13.239 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -8.500 34.165 12.343 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -8.348 33.788 13.826 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -4.693 28.308 7.235 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -3.942 27.698 7.389 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -4.280 29.075 6.776 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -5.631 27.302 9.708 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -6.158 27.971 10.205 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -5.448 27.732 8.847 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -2.266 26.940 7.322 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -2.168 26.952 6.344 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -1.346 26.926 7.648 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -1.846 21.274 19.228 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -0.872 21.260 19.092 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -1.949 21.282 20.185 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -3.520 18.868 18.844 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -2.931 19.642 18.806 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.206 19.124 19.489 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -10.694 32.405 6.246 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -10.954 31.525 5.866 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -10.730 32.268 7.211 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -10.295 35.420 10.104 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -9.561 34.921 10.492 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -11.090 35.043 10.530 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -9.731 36.069 15.222 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -9.327 35.693 14.408 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -9.883 35.288 15.795 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 1.458 23.064 10.087 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 2.267 23.355 9.617 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 1.613 22.115 10.264 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 5.876 21.791 7.186 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 4.945 21.559 6.978 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 6.185 22.273 6.396 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -10.038 25.988 25.738 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -9.502 25.321 26.177 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -9.545 26.190 24.909 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 11.603 19.692 4.426 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 11.258 19.665 5.357 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 12.438 20.166 4.499 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -7.482 21.784 21.303 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -8.349 21.463 20.971 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -7.702 22.602 21.788 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -6.564 35.058 20.251 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -5.641 35.327 20.062 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -6.528 34.089 20.264 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -3.934 35.219 19.486 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -3.320 35.935 19.301 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -3.940 34.687 18.665 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 0.138 18.811 15.622 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 0.094 19.768 15.816 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 0.957 18.712 15.108 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -1.186 20.223 12.598 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.304 19.867 12.822 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -1.117 21.177 12.821 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 1.303 19.648 5.790 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 0.750 20.005 6.520 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 1.259 18.679 5.910 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -8.367 33.323 10.624 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -7.951 32.577 11.110 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -9.114 32.905 10.134 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 4.555 33.932 -14.422 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 4.503 34.783 -13.920 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 3.802 33.971 -15.025 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 8.183 44.424 -10.610 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 7.280 44.092 -10.693 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 8.674 43.954 -11.307 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 0.069 40.355 -18.380 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -0.652 40.231 -19.002 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -0.313 40.088 -17.512 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -0.856 39.524 -15.953 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -0.266 38.824 -15.661 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.870 40.157 -15.198 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 1.934 42.478 -13.848 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 1.922 43.278 -14.385 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 2.648 42.643 -13.187 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -12.840 41.552 -21.000 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -12.339 41.703 -21.820 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -12.196 41.722 -20.292 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 3.615 40.799 -15.348 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 2.930 41.251 -14.815 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 3.357 40.988 -16.282 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 2.659 41.176 -17.889 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 2.841 41.639 -18.710 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 1.753 40.812 -18.016 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -9.723 41.386 -11.966 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -9.857 42.062 -11.263 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -9.963 41.858 -12.792 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 3.530 43.567 -9.562 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 3.985 43.793 -8.745 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 2.596 43.473 -9.298 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -4.011 42.090 -11.863 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -4.203 42.284 -12.789 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -4.433 41.212 -11.708 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -1.660 41.997 -8.569 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -2.574 41.638 -8.584 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -1.416 41.988 -7.620 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -0.472 41.052 -13.723 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 0.399 41.500 -13.738 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -0.735 41.071 -12.784 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -3.308 37.643 -12.040 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -4.001 37.052 -12.434 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -2.816 37.970 -12.804 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -1.466 33.846 -10.742 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -1.056 32.955 -10.677 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -2.198 33.722 -11.358 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -2.684 36.151 -9.622 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -2.191 35.358 -9.921 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -2.934 36.605 -10.451 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -7.729 39.577 -11.875 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -8.438 40.257 -11.926 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -7.927 38.976 -12.630 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 6.173 40.442 -14.142 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 6.327 39.538 -14.491 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 5.326 40.717 -14.560 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -9.327 39.454 -23.877 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -9.626 40.313 -24.199 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -9.841 39.315 -23.061 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -11.003 38.095 -15.954 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -11.705 38.308 -15.298 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -10.732 38.964 -16.294 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 6.881 37.918 -14.920 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 7.814 37.637 -14.824 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 6.374 37.198 -14.520 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -13.292 41.410 -25.832 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -13.075 41.126 -26.746 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -14.255 41.237 -25.752 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -9.788 37.242 -25.422 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -9.029 36.630 -25.300 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -9.516 38.059 -24.947 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -5.176 36.053 -13.116 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -5.981 36.009 -13.669 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -5.179 35.203 -12.624 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -11.446 45.035 -0.743 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -10.911 44.628 -1.461 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -10.929 44.875 0.058 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 6.482 38.495 -0.099 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 6.993 39.206 0.304 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 6.993 38.255 -0.897 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 4.174 42.400 -2.412 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 4.824 43.135 -2.478 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 3.969 42.180 -3.348 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 0.385 41.596 -3.206 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 0.280 40.929 -3.911 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 0.758 42.364 -3.658 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 5.200 39.839 -5.779 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 4.577 40.584 -5.607 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 6.091 40.271 -5.783 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -7.918 44.205 -4.509 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -7.786 44.419 -5.447 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -7.124 43.678 -4.270 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -5.318 48.172 -10.126 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -5.887 48.885 -9.816 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -4.822 48.563 -10.855 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 4.115 37.122 0.519 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 3.825 37.692 -0.220 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 4.946 37.536 0.821 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 0.624 38.808 -0.145 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -0.249 39.197 -0.390 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 1.225 39.575 -0.131 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 4.020 43.110 -12.214 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 3.797 43.329 -11.283 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 4.953 42.838 -12.177 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 6.105 43.460 -5.256 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 6.345 44.278 -5.754 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 6.244 43.708 -4.317 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -5.802 42.498 -3.982 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -6.183 41.601 -4.075 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -5.039 42.370 -3.407 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -1.035 41.850 -5.908 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -0.823 40.919 -5.673 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -1.748 42.091 -5.300 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 3.772 42.044 -5.100 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 4.510 42.668 -5.294 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 3.005 42.412 -5.603 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 4.031 38.967 -1.524 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 4.735 39.346 -0.954 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 3.276 39.592 -1.419 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -1.503 41.052 -11.127 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -1.409 41.344 -10.195 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -2.363 41.428 -11.407 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -1.283 40.285 -1.408 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -2.199 40.263 -1.749 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -0.828 40.919 -1.990 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -8.973 40.496 -4.952 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -8.132 40.321 -4.475 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -8.714 41.118 -5.670 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -4.254 40.898 -8.825 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -4.822 41.689 -8.930 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -4.487 40.337 -9.597 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 2.186 40.922 -1.243 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 1.367 41.070 -1.761 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 2.799 41.613 -1.569 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -5.067 39.673 -11.187 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -4.563 38.863 -11.410 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -5.995 39.456 -11.439 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -2.823 38.442 -5.012 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -2.532 37.815 -5.720 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -2.008 38.912 -4.766 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 0.729 43.509 -8.951 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 0.563 44.143 -9.658 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -0.091 42.970 -8.917 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 6.839 45.834 -6.347 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 7.571 45.714 -6.992 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 6.640 46.773 -6.391 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -5.570 43.177 -9.838 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -5.450 44.116 -9.584 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -4.936 43.042 -10.573 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -5.267 45.763 -8.799 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -5.338 46.572 -9.360 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -4.641 46.011 -8.109 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 1.521 42.880 -6.386 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 1.409 43.240 -7.289 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 0.631 42.553 -6.152 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -4.768 38.619 -7.090 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -4.648 39.421 -7.635 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -4.108 38.715 -6.375 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 7.026 43.190 -0.198 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 7.419 43.379 0.660 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 6.406 42.454 -0.022 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -7.446 41.191 -9.530 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -6.898 41.988 -9.708 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -7.354 40.654 -10.340 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -6.095 39.746 -1.157 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -6.074 38.882 -0.698 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -6.693 40.292 -0.606 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 8.771 45.745 -8.316 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 9.274 46.511 -8.613 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 8.523 45.279 -9.152 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 6.277 44.188 -2.612 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 6.674 43.824 -1.784 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 6.534 45.118 -2.605 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -9.907 43.663 -2.619 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -10.331 43.032 -3.214 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -9.137 43.995 -3.137 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 6.521 41.857 -11.835 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 6.247 41.251 -11.134 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 6.364 41.350 -12.669 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 7.547 41.084 -5.571 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 7.224 42.008 -5.485 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 8.417 41.174 -6.024 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 4.981 41.333 -0.021 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 4.206 41.445 0.545 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 4.708 41.720 -0.882 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -10.163 43.155 7.031 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -9.824 43.688 6.300 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -9.512 43.271 7.732 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -3.732 40.292 -2.714 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -3.884 39.646 -3.421 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -4.478 40.153 -2.097 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -10.761 40.172 -2.935 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -10.183 40.331 -3.713 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -10.666 39.210 -2.760 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 5.456 38.509 -8.320 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 5.307 39.006 -7.497 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 6.397 38.697 -8.548 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -8.377 40.582 0.502 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -8.615 39.633 0.546 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -9.181 41.014 0.151 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.441 36.202 0.140 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 1.005 37.085 0.113 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 2.317 36.384 0.532 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -6.590 39.851 -3.837 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -6.496 38.944 -4.198 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -6.493 39.736 -2.866 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -9.020 38.193 -6.509 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -9.190 38.938 -5.893 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -9.159 38.589 -7.404 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 0.495 38.012 -2.777 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -0.339 37.490 -2.765 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 0.652 38.226 -1.838 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -6.536 37.494 -5.328 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -5.946 37.884 -6.009 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -7.431 37.572 -5.717 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -0.148 39.457 -4.938 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 0.204 38.885 -5.653 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 0.114 38.985 -4.107 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -12.918 38.114 7.216 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -11.946 38.099 7.128 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -13.201 37.238 6.886 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -9.233 35.719 7.606 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -8.390 35.225 7.740 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -9.702 35.631 8.471 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 11.879 13.934 -4.076 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 11.361 13.209 -4.489 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 12.784 13.761 -4.345 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 10.239 15.915 -3.127 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 10.969 15.329 -3.431 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 9.429 15.406 -3.330 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 8.196 14.150 -3.571 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 8.552 13.322 -3.165 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 8.173 13.954 -4.528 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 5.705 10.059 -0.930 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 6.288 9.756 -1.634 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 4.869 9.561 -1.079 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 13.711 11.199 2.280 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 13.251 10.576 2.875 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 14.620 10.888 2.270 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 12.382 9.137 3.766 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 11.472 9.256 3.407 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 12.624 8.242 3.502 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 9.799 12.903 0.092 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 10.649 12.960 0.581 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 9.431 13.811 0.151 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 11.962 13.259 1.755 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 11.441 12.979 2.538 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 12.725 12.639 1.747 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 10.646 11.974 3.851 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 10.898 11.763 4.760 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 10.340 11.123 3.484 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 12.577 15.213 8.985 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 12.379 14.425 8.460 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 13.492 15.427 8.760 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 10.360 11.979 -5.250 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 9.543 12.398 -5.599 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 10.435 11.160 -5.747 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 8.669 15.898 5.298 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 9.026 15.002 5.251 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 9.457 16.466 5.339 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 8.824 15.475 0.334 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 8.672 15.915 1.193 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 9.290 16.155 -0.202 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 9.183 18.794 -5.667 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 8.384 18.672 -6.221 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 9.813 18.154 -6.017 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 8.422 17.044 2.635 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 9.388 17.058 2.857 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 8.001 16.710 3.446 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 11.385 14.723 11.440 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 11.755 15.347 12.070 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 11.818 14.950 10.593 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 8.656 11.301 10.463 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 8.994 10.592 11.020 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 9.059 11.123 9.578 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 6.846 14.481 -1.268 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 7.572 14.792 -0.685 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 7.249 14.475 -2.165 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 9.175 11.941 -2.395 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 9.509 12.235 -1.519 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 9.953 11.578 -2.838 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 11.997 9.936 6.424 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 12.655 9.456 6.938 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 12.183 9.681 5.498 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 8.530 10.437 0.647 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 7.652 10.507 0.244 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 8.964 11.288 0.426 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 9.036 20.103 3.386 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 8.974 19.148 3.243 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 9.947 20.229 3.728 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 10.024 17.564 -1.011 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 10.065 16.998 -1.822 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 10.798 18.156 -1.099 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 12.162 16.002 1.309 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 11.861 16.065 0.397 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 12.186 15.036 1.489 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 12.386 19.741 -13.236 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 13.018 20.177 -13.814 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 12.659 18.794 -13.253 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 10.653 17.127 8.267 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 9.983 17.008 8.973 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 11.371 16.521 8.519 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 13.664 30.568 -16.029 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 14.611 30.726 -15.984 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 13.394 30.461 -15.094 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 11.876 28.443 -10.825 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 12.015 29.387 -10.596 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 12.697 28.189 -11.296 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 12.432 32.946 -12.819 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 13.246 33.283 -12.379 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 12.742 32.185 -13.343 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 9.294 30.058 -13.784 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 9.540 30.433 -14.653 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 9.742 29.185 -13.764 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 11.090 35.540 -19.332 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 11.583 34.726 -19.173 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 11.190 35.697 -20.277 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 10.179 27.676 -12.891 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 10.839 27.831 -12.184 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 10.412 26.796 -13.251 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 12.520 31.123 -10.561 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 13.079 31.616 -9.922 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 12.168 31.815 -11.153 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 8.837 25.383 -9.064 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 8.964 24.846 -8.268 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 8.056 24.984 -9.497 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 9.715 34.219 -16.034 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 9.681 35.030 -16.580 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 8.778 34.049 -15.800 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 9.716 36.732 -17.323 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 9.219 37.422 -17.780 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 10.267 36.323 -18.033 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 13.939 27.686 -12.515 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 14.878 27.470 -12.553 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 13.490 26.803 -12.505 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 12.603 25.405 -12.150 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 11.858 25.140 -12.721 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 12.230 25.395 -11.243 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 11.897 30.569 -18.111 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 12.396 30.149 -18.816 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 12.522 30.580 -17.348 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 7.911 22.029 -11.044 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 7.813 21.490 -10.235 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 8.498 21.502 -11.609 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 13.297 30.265 -13.263 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 13.086 30.500 -12.344 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 13.544 29.317 -13.213 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 9.048 39.934 -13.672 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 9.230 39.101 -14.159 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 8.146 40.181 -13.952 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 8.803 29.851 -0.677 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 9.747 29.842 -0.464 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 8.412 29.215 -0.047 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 14.081 30.609 -4.214 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 14.346 29.726 -3.865 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 14.903 30.983 -4.551 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 9.760 24.167 -3.078 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 10.685 24.055 -2.802 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 9.804 24.181 -4.067 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 10.955 26.674 -1.086 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 10.931 27.446 -0.491 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 11.657 26.120 -0.724 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 12.714 22.037 0.834 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 13.345 21.579 0.244 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 11.852 21.662 0.594 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 10.001 31.342 -8.914 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 10.953 31.207 -9.046 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 9.635 31.373 -9.830 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 12.997 26.643 1.140 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 12.301 27.329 1.127 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 13.332 26.662 2.067 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 8.344 27.789 1.221 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 8.164 26.834 1.063 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 8.029 27.941 2.135 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 13.054 27.217 -5.185 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 12.980 26.445 -4.580 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 13.860 27.667 -4.889 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 11.595 29.699 3.356 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 11.986 29.288 4.158 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 11.924 30.603 3.372 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 7.685 31.406 -2.711 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 7.747 32.354 -2.452 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 8.124 30.928 -1.975 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 12.094 32.965 -6.582 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 11.238 33.413 -6.573 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 12.243 32.722 -5.647 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 10.939 28.550 0.956 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 11.223 29.005 1.786 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 10.020 28.260 1.145 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 13.523 25.431 -3.130 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 13.937 25.876 -2.367 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 13.078 24.654 -2.738 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 13.556 26.774 3.805 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 13.453 27.565 4.365 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 13.512 26.031 4.433 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 12.313 23.456 -1.669 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 12.613 23.527 -0.748 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 11.639 22.734 -1.642 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 9.426 22.519 -7.950 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 10.251 22.486 -8.447 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 8.926 21.737 -8.263 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 14.649 26.858 -1.012 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 15.509 26.840 -0.576 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 14.003 26.823 -0.266 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 14.364 17.172 -1.640 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 14.343 16.763 -0.766 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 15.065 16.703 -2.105 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 15.073 28.172 -3.455 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 15.789 27.576 -3.705 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 14.782 27.841 -2.578 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 7.668 25.089 1.292 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 7.049 25.365 2.005 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 8.074 24.274 1.635 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 12.802 23.776 3.012 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 12.808 23.061 2.339 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 12.775 24.589 2.491 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 12.162 32.531 -3.826 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 12.233 32.900 -2.938 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 12.849 31.830 -3.851 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 11.855 25.483 -6.996 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 11.997 25.637 -7.949 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 12.407 26.158 -6.557 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 13.830 32.797 -8.729 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 14.640 32.652 -8.228 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 13.147 32.962 -8.034 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 11.457 25.952 -9.711 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 11.494 26.900 -9.955 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 10.510 25.793 -9.502 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 12.291 18.939 -1.860 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 12.773 19.758 -1.629 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 12.998 18.254 -1.910 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 9.260 30.461 -6.371 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 9.395 30.798 -7.281 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 10.165 30.202 -6.079 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 14.561 33.653 -11.290 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 15.394 34.128 -11.206 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 14.281 33.492 -10.366 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 9.092 31.444 -11.464 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 8.804 32.323 -11.791 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 9.260 30.932 -12.288 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 11.664 29.602 -5.391 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 12.022 28.694 -5.478 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 12.393 30.104 -4.987 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 13.035 24.641 5.603 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 12.885 24.213 4.725 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 13.571 24.003 6.088 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 10.546 21.510 -1.237 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 9.720 21.489 -0.714 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 10.345 20.953 -2.023 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 7.579 22.781 -2.144 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 7.875 22.289 -1.350 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 8.391 23.246 -2.456 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 10.058 19.821 -3.299 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 9.831 19.261 -4.071 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 10.836 19.373 -2.898 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 3.186 21.425 6.775 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 2.630 22.028 7.289 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 2.560 20.742 6.452 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 9.623 33.326 -4.696 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 10.490 33.041 -4.342 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 9.111 32.508 -4.754 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 14.024 21.121 -1.460 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 14.840 20.925 -1.936 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 13.695 21.939 -1.874 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 13.201 17.176 -13.439 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 12.720 16.465 -13.877 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 14.054 16.786 -13.217 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 8.522 33.654 -8.259 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 9.266 33.038 -8.402 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 8.945 34.485 -7.984 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 8.194 21.467 0.159 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 8.118 21.866 1.052 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 8.081 20.504 0.316 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 9.729 36.114 -11.230 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 10.027 37.043 -11.220 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 10.203 35.721 -11.982 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 11.059 42.641 -10.314 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 10.384 42.596 -11.029 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 11.782 43.145 -10.702 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 9.172 42.369 -12.267 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 8.214 42.228 -12.096 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 9.400 41.670 -12.910 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 9.589 37.387 -14.647 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 10.036 36.671 -14.153 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 9.772 37.178 -15.590 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 10.613 38.684 -11.773 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 9.962 39.139 -12.353 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 11.433 38.698 -12.281 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 10.697 34.946 -13.576 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 10.523 34.641 -14.496 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 11.377 34.311 -13.243 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 10.167 43.343 -7.737 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 10.487 43.177 -8.645 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 9.710 44.200 -7.796 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 7.607 37.994 -2.637 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 8.193 38.678 -3.000 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 8.020 37.150 -2.931 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 8.090 38.681 -8.882 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 8.490 37.856 -8.554 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 8.856 39.270 -9.048 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 8.621 35.808 -3.938 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 8.921 36.420 -4.628 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 8.993 34.936 -4.216 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 7.474 34.048 -2.054 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 6.714 34.534 -1.675 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 7.900 34.693 -2.648 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 9.992 40.810 -6.802 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 10.216 40.430 -7.677 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 10.158 41.773 -6.915 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 8.823 38.599 -5.401 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 8.213 39.363 -5.420 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 9.678 38.979 -5.684 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 8.333 36.467 -7.106 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 7.448 36.220 -6.783 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 8.580 37.237 -6.556 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 10.404 40.104 -9.432 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 10.702 40.996 -9.711 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 10.594 39.535 -10.207 1.00 0.00 WAT1 END