REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 27.839 -6.994 26.088 1.00 32.41 ATOM 2 CB MET 1 26.441 -5.375 26.022 1.00 23.32 ATOM 3 HB1 MET 1 26.184 -4.580 25.337 1.00 38.37 ATOM 4 HB2 MET 1 26.878 -4.943 26.912 1.00 15.24 ATOM 5 CG MET 1 25.166 -6.110 26.403 1.00 1.44 ATOM 6 HG1 MET 1 25.428 -7.062 26.846 1.00 38.37 ATOM 7 HG2 MET 1 24.586 -6.282 25.508 1.00 60.42 ATOM 8 SD MET 1 24.150 -5.179 27.566 1.00 30.04 ATOM 9 CE MET 1 23.752 -6.452 28.762 1.00 74.02 ATOM 10 HE1 MET 1 24.663 -6.836 29.196 1.00 62.43 ATOM 11 HE2 MET 1 23.221 -7.254 28.271 1.00 21.12 ATOM 12 HE3 MET 1 23.131 -6.033 29.540 1.00 42.31 ATOM 13 C MET 1 26.869 -7.024 24.190 1.00 75.30 ATOM 14 O MET 1 26.661 -8.235 24.256 1.00 61.12 ATOM 15 N MET 1 28.633 -5.480 24.925 1.00 13.51 ATOM 16 HT1 MET 1 28.341 -4.728 24.266 1.00 38.37 ATOM 17 HT2 MET 1 29.333 -6.087 24.447 1.00 38.37 ATOM 18 HT3 MET 1 29.096 -5.037 25.747 1.00 38.37 ATOM 19 CA MET 1 27.490 -6.273 25.363 1.00 42.00 ATOM 20 N GLY 2 26.573 -6.297 23.117 1.00 60.13 ATOM 21 HN GLY 2 26.754 -5.329 23.116 1.00 38.37 ATOM 22 CA GLY 2 25.978 -6.912 21.945 1.00 74.21 ATOM 23 HA1 GLY 2 25.264 -7.667 22.253 1.00 38.37 ATOM 24 HA2 GLY 2 26.758 -7.386 21.368 1.00 70.54 ATOM 25 C GLY 2 25.263 -5.908 21.063 1.00 43.35 ATOM 26 O GLY 2 25.176 -4.726 21.399 1.00 34.42 ATOM 27 N HIS 3 24.752 -6.376 19.928 1.00 24.54 ATOM 28 HN HIS 3 24.864 -7.330 19.701 1.00 38.37 ATOM 29 CA HIS 3 24.043 -5.510 18.994 1.00 72.11 ATOM 30 HA HIS 3 23.711 -4.623 19.523 1.00 41.14 ATOM 31 CB HIS 3 24.974 -5.074 17.862 1.00 20.03 ATOM 32 HB1 HIS 3 25.813 -4.542 18.285 1.00 38.37 ATOM 33 HB2 HIS 3 24.441 -4.415 17.191 1.00 32.44 ATOM 34 CG HIS 3 25.514 -6.216 17.058 1.00 43.24 ATOM 35 ND1 HIS 3 26.674 -6.886 17.386 1.00 41.42 ATOM 36 HD1 HIS 3 27.249 -6.692 18.155 1.00 5.42 ATOM 37 CD2 HIS 3 25.045 -6.807 15.934 1.00 45.23 ATOM 38 HD2 HIS 3 24.147 -6.538 15.395 1.00 63.24 ATOM 39 CE1 HIS 3 26.896 -7.838 16.498 1.00 43.03 ATOM 40 HE1 HIS 3 27.731 -8.523 16.501 1.00 64.31 ATOM 41 NE2 HIS 3 25.922 -7.812 15.606 1.00 2.30 ATOM 42 HE2 HIS 3 25.893 -8.348 14.786 1.00 38.37 ATOM 43 C HIS 3 22.820 -6.218 18.418 1.00 10.11 ATOM 44 O HIS 3 22.917 -7.340 17.921 1.00 75.41 ATOM 45 N HIS 4 21.670 -5.555 18.489 1.00 1.25 ATOM 46 HN HIS 4 21.655 -4.651 18.886 1.00 38.37 ATOM 47 CA HIS 4 20.428 -6.121 17.975 1.00 0.14 ATOM 48 HA HIS 4 20.416 -7.179 18.226 1.00 24.11 ATOM 49 CB HIS 4 19.224 -5.444 18.632 1.00 43.04 ATOM 50 HB1 HIS 4 19.030 -4.491 18.156 1.00 38.37 ATOM 51 HB2 HIS 4 19.444 -5.273 19.677 1.00 21.51 ATOM 52 CG HIS 4 17.970 -6.260 18.569 1.00 62.40 ATOM 53 ND1 HIS 4 16.828 -5.837 17.922 1.00 64.41 ATOM 54 HD1 HIS 4 16.719 -4.985 17.451 1.00 32.14 ATOM 55 CD2 HIS 4 17.683 -7.482 19.076 1.00 71.11 ATOM 56 HD2 HIS 4 18.351 -8.112 19.646 1.00 73.10 ATOM 57 CE1 HIS 4 15.892 -6.763 18.035 1.00 4.20 ATOM 58 HE1 HIS 4 14.894 -6.706 17.627 1.00 61.40 ATOM 59 NE2 HIS 4 16.386 -7.771 18.731 1.00 73.54 ATOM 60 HE2 HIS 4 15.933 -8.626 18.887 1.00 38.37 ATOM 61 C HIS 4 20.348 -5.969 16.459 1.00 2.34 ATOM 62 O HIS 4 20.736 -4.939 15.907 1.00 4.32 ATOM 63 N HIS 5 19.843 -7.001 15.792 1.00 61.24 ATOM 64 HN HIS 5 19.559 -7.806 16.288 1.00 38.37 ATOM 65 CA HIS 5 19.713 -6.982 14.339 1.00 74.11 ATOM 66 HA HIS 5 19.410 -5.984 14.039 1.00 74.15 ATOM 67 CB HIS 5 21.055 -7.303 13.681 1.00 50.10 ATOM 68 HB1 HIS 5 21.802 -6.618 14.054 1.00 38.37 ATOM 69 HB2 HIS 5 20.965 -7.181 12.611 1.00 71.14 ATOM 70 CG HIS 5 21.535 -8.697 13.947 1.00 55.41 ATOM 71 ND1 HIS 5 21.419 -9.720 13.030 1.00 22.00 ATOM 72 HD1 HIS 5 21.023 -9.646 12.137 1.00 31.42 ATOM 73 CD2 HIS 5 22.135 -9.234 15.034 1.00 3.35 ATOM 74 HD2 HIS 5 22.384 -8.717 15.948 1.00 50.14 ATOM 75 CE1 HIS 5 21.927 -10.827 13.543 1.00 53.23 ATOM 76 HE1 HIS 5 21.975 -11.787 13.051 1.00 23.41 ATOM 77 NE2 HIS 5 22.368 -10.559 14.758 1.00 4.52 ATOM 78 HE2 HIS 5 22.876 -11.177 15.324 1.00 38.37 ATOM 79 C HIS 5 18.654 -7.979 13.875 1.00 4.43 ATOM 80 O HIS 5 18.633 -9.128 14.318 1.00 51.34 ATOM 81 N HIS 6 17.777 -7.531 12.982 1.00 4.34 ATOM 82 HN HIS 6 17.859 -6.609 12.645 1.00 38.37 ATOM 83 CA HIS 6 16.716 -8.383 12.459 1.00 30.31 ATOM 84 HA HIS 6 16.601 -9.245 13.107 1.00 2.03 ATOM 85 CB HIS 6 15.388 -7.625 12.436 1.00 25.11 ATOM 86 HB1 HIS 6 15.130 -7.341 13.446 1.00 38.37 ATOM 87 HB2 HIS 6 14.613 -8.268 12.043 1.00 71.33 ATOM 88 CG HIS 6 15.423 -6.382 11.602 1.00 3.41 ATOM 89 ND1 HIS 6 15.212 -6.383 10.240 1.00 73.15 ATOM 90 HD1 HIS 6 15.024 -7.172 9.691 1.00 71.35 ATOM 91 CD2 HIS 6 15.645 -5.091 11.946 1.00 61.25 ATOM 92 HD2 HIS 6 15.847 -4.718 12.940 1.00 32.35 ATOM 93 CE1 HIS 6 15.304 -5.148 9.781 1.00 54.34 ATOM 94 HE1 HIS 6 15.184 -4.846 8.751 1.00 24.11 ATOM 95 NE2 HIS 6 15.566 -4.344 10.796 1.00 74.51 ATOM 96 HE2 HIS 6 15.586 -3.365 10.751 1.00 38.37 ATOM 97 C HIS 6 17.058 -8.877 11.056 1.00 33.15 ATOM 98 O HIS 6 17.833 -8.247 10.337 1.00 40.41 ATOM 99 N HIS 7 16.475 -10.009 10.674 1.00 33.04 ATOM 100 HN HIS 7 15.866 -10.473 11.298 1.00 38.37 ATOM 101 CA HIS 7 16.718 -10.588 9.358 1.00 52.54 ATOM 102 HA HIS 7 16.525 -9.814 8.621 1.00 23.44 ATOM 103 CB HIS 7 18.172 -11.043 9.238 1.00 24.11 ATOM 104 HB1 HIS 7 18.293 -12.009 9.711 1.00 38.37 ATOM 105 HB2 HIS 7 18.822 -10.337 9.730 1.00 72.34 ATOM 106 CG HIS 7 18.646 -11.168 7.823 1.00 65.31 ATOM 107 ND1 HIS 7 18.474 -12.310 7.070 1.00 61.43 ATOM 108 HD1 HIS 7 18.038 -13.134 7.372 1.00 11.54 ATOM 109 CD2 HIS 7 19.289 -10.285 7.023 1.00 30.41 ATOM 110 HD2 HIS 7 19.587 -9.280 7.287 1.00 24.13 ATOM 111 CE1 HIS 7 18.992 -12.125 5.868 1.00 33.25 ATOM 112 HE1 HIS 7 19.003 -12.849 5.066 1.00 64.23 ATOM 113 NE2 HIS 7 19.492 -10.904 5.814 1.00 22.11 ATOM 114 HE2 HIS 7 19.854 -10.477 5.010 1.00 38.37 ATOM 115 C HIS 7 15.781 -11.764 9.100 1.00 41.13 ATOM 116 O HIS 7 15.646 -12.658 9.936 1.00 54.22 ATOM 117 N HIS 8 15.136 -11.757 7.938 1.00 52.34 ATOM 118 HN HIS 8 15.293 -11.018 7.302 1.00 38.37 ATOM 119 CA HIS 8 14.211 -12.823 7.570 1.00 63.22 ATOM 120 HA HIS 8 13.574 -12.996 8.429 1.00 24.21 ATOM 121 CB HIS 8 13.356 -12.397 6.376 1.00 4.21 ATOM 122 HB1 HIS 8 13.863 -12.635 5.449 1.00 38.37 ATOM 123 HB2 HIS 8 13.195 -11.328 6.420 1.00 30.41 ATOM 124 CG HIS 8 12.007 -13.046 6.344 1.00 51.44 ATOM 125 ND1 HIS 8 11.159 -12.966 5.259 1.00 44.22 ATOM 126 HD1 HIS 8 11.343 -12.491 4.422 1.00 33.35 ATOM 127 CD2 HIS 8 11.360 -13.790 7.271 1.00 61.35 ATOM 128 HD2 HIS 8 11.728 -14.061 8.250 1.00 32.35 ATOM 129 CE1 HIS 8 10.049 -13.632 5.521 1.00 51.24 ATOM 130 HE1 HIS 8 9.206 -13.742 4.855 1.00 35.34 ATOM 131 NE2 HIS 8 10.146 -14.142 6.735 1.00 75.20 ATOM 132 HE2 HIS 8 9.427 -14.607 7.211 1.00 38.37 ATOM 133 C HIS 8 14.967 -14.106 7.237 1.00 32.30 ATOM 134 O HIS 8 15.933 -14.089 6.475 1.00 63.21 ATOM 135 N SER 9 14.520 -15.217 7.814 1.00 31.22 ATOM 136 HN SER 9 13.728 -15.174 8.402 1.00 38.37 ATOM 137 CA SER 9 15.157 -16.508 7.582 1.00 33.45 ATOM 138 HA SER 9 16.213 -16.349 7.394 1.00 10.21 ATOM 139 CB SER 9 15.017 -17.399 8.819 1.00 50.14 ATOM 140 HB1 SER 9 15.704 -18.229 8.746 1.00 38.37 ATOM 141 HB2 SER 9 14.004 -17.775 8.890 1.00 23.31 ATOM 142 OG SER 9 15.306 -16.676 10.003 1.00 75.20 ATOM 143 HG SER 9 16.258 -16.614 10.120 1.00 35.21 ATOM 144 C SER 9 14.548 -17.204 6.369 1.00 72.31 ATOM 145 O SER 9 13.704 -16.639 5.673 1.00 42.43 ATOM 146 N HIS 10 14.982 -18.436 6.121 1.00 30.14 ATOM 147 HN HIS 10 15.667 -18.842 6.701 1.00 38.37 ATOM 148 CA HIS 10 14.480 -19.211 4.992 1.00 20.13 ATOM 149 HA HIS 10 14.099 -18.529 4.237 1.00 54.42 ATOM 150 CB HIS 10 15.605 -20.046 4.380 1.00 73.25 ATOM 151 HB1 HIS 10 15.191 -20.918 3.888 1.00 38.37 ATOM 152 HB2 HIS 10 16.277 -20.372 5.161 1.00 11.03 ATOM 153 CG HIS 10 16.416 -19.304 3.362 1.00 34.31 ATOM 154 ND1 HIS 10 16.254 -19.473 2.003 1.00 4.50 ATOM 155 HD1 HIS 10 15.613 -20.077 1.573 1.00 3.22 ATOM 156 CD2 HIS 10 17.398 -18.385 3.512 1.00 13.10 ATOM 157 HD2 HIS 10 17.786 -18.009 4.448 1.00 61.53 ATOM 158 CE1 HIS 10 17.103 -18.690 1.361 1.00 64.10 ATOM 159 HE1 HIS 10 17.202 -18.611 0.288 1.00 60.41 ATOM 160 NE2 HIS 10 17.809 -18.019 2.254 1.00 74.22 ATOM 161 HE2 HIS 10 18.574 -17.442 2.051 1.00 38.37 ATOM 162 C HIS 10 13.333 -20.120 5.424 1.00 10.21 ATOM 163 O HIS 10 12.194 -19.946 4.992 1.00 41.55 ATOM 164 N MET 11 13.642 -21.090 6.279 1.00 42.45 ATOM 165 HN MET 11 14.572 -21.177 6.599 1.00 38.37 ATOM 166 CA MET 11 12.637 -22.025 6.769 1.00 74.14 ATOM 167 HA MET 11 11.838 -21.443 7.210 1.00 62.10 ATOM 168 CB MET 11 12.068 -22.849 5.611 1.00 2.44 ATOM 169 HB1 MET 11 12.882 -23.361 5.119 1.00 38.37 ATOM 170 HB2 MET 11 11.593 -22.192 4.899 1.00 20.13 ATOM 171 CG MET 11 11.054 -23.892 6.049 1.00 34.51 ATOM 172 HG1 MET 11 11.482 -24.528 6.807 1.00 38.37 ATOM 173 HG2 MET 11 10.803 -24.495 5.189 1.00 11.21 ATOM 174 SD MET 11 9.535 -23.160 6.688 1.00 0.11 ATOM 175 CE MET 11 8.396 -24.530 6.508 1.00 70.34 ATOM 176 HE1 MET 11 8.748 -25.370 7.089 1.00 55.14 ATOM 177 HE2 MET 11 8.334 -24.813 5.467 1.00 43.11 ATOM 178 HE3 MET 11 7.418 -24.234 6.859 1.00 4.11 ATOM 179 C MET 11 13.226 -22.952 7.826 1.00 24.44 ATOM 180 O MET 11 14.183 -23.680 7.563 1.00 10.24 ATOM 181 N ASN 12 12.649 -22.920 9.023 1.00 23.53 ATOM 182 HN ASN 12 11.892 -22.306 9.182 1.00 38.37 ATOM 183 CA ASN 12 13.119 -23.758 10.121 1.00 41.11 ATOM 184 HA ASN 12 13.467 -24.701 9.707 1.00 11.11 ATOM 185 CB ASN 12 14.277 -23.075 10.851 1.00 22.14 ATOM 186 HB1 ASN 12 14.434 -23.544 11.816 1.00 38.37 ATOM 187 HB2 ASN 12 14.030 -22.038 11.000 1.00 33.55 ATOM 188 CG ASN 12 15.575 -23.144 10.069 1.00 13.23 ATOM 189 OD1 ASN 12 15.862 -22.276 9.244 1.00 33.41 ATOM 190 ND2 ASN 12 16.366 -24.179 10.326 1.00 10.11 ATOM 191 HD21 ASN 12 16.085 -24.842 10.996 1.00 34.32 ATOM 192 HD22 ASN 12 17.210 -24.242 9.831 1.00 3.42 ATOM 193 C ASN 12 11.989 -24.054 11.102 1.00 55.03 ATOM 194 O ASN 12 11.180 -23.180 11.415 1.00 21.31 ATOM 195 N SER 13 11.939 -25.292 11.583 1.00 1.12 ATOM 196 HN SER 13 12.626 -25.946 11.308 1.00 38.37 ATOM 197 CA SER 13 10.906 -25.705 12.526 1.00 2.20 ATOM 198 HA SER 13 9.972 -25.238 12.239 1.00 62.45 ATOM 199 CB SER 13 10.724 -27.223 12.483 1.00 61.21 ATOM 200 HB1 SER 13 10.373 -27.585 13.443 1.00 38.37 ATOM 201 HB2 SER 13 11.666 -27.699 12.251 1.00 44.03 ATOM 202 OG SER 13 9.773 -27.595 11.500 1.00 24.11 ATOM 203 HG SER 13 10.187 -27.595 10.633 1.00 22.15 ATOM 204 C SER 13 11.257 -25.263 13.944 1.00 72.33 ATOM 205 O SER 13 10.377 -24.927 14.736 1.00 5.11 ATOM 206 N ALA 14 12.549 -25.267 14.255 1.00 33.54 ATOM 207 HN ALA 14 13.212 -25.561 13.587 1.00 38.37 ATOM 208 CA ALA 14 13.017 -24.866 15.576 1.00 42.10 ATOM 209 HA ALA 14 12.526 -25.485 16.313 1.00 43.33 ATOM 210 CB ALA 14 14.517 -25.093 15.695 1.00 10.44 ATOM 211 HB1 ALA 14 14.884 -24.681 16.624 1.00 63.23 ATOM 212 HB2 ALA 14 15.018 -24.612 14.868 1.00 13.21 ATOM 213 HB3 ALA 14 14.721 -26.153 15.669 1.00 71.03 ATOM 214 C ALA 14 12.677 -23.407 15.859 1.00 53.30 ATOM 215 O ALA 14 12.394 -23.036 16.998 1.00 43.12 ATOM 216 N GLU 15 12.706 -22.584 14.815 1.00 3.44 ATOM 217 HN GLU 15 12.954 -22.930 13.926 1.00 38.37 ATOM 218 CA GLU 15 12.402 -21.164 14.954 1.00 71.31 ATOM 219 HA GLU 15 13.087 -20.741 15.679 1.00 62.23 ATOM 220 CB GLU 15 12.586 -20.448 13.615 1.00 52.54 ATOM 221 HB1 GLU 15 12.120 -19.469 13.670 1.00 38.37 ATOM 222 HB2 GLU 15 12.098 -21.024 12.841 1.00 22.11 ATOM 223 CG GLU 15 14.041 -20.258 13.220 1.00 31.42 ATOM 224 HG1 GLU 15 14.444 -21.208 12.907 1.00 38.37 ATOM 225 HG2 GLU 15 14.596 -19.902 14.079 1.00 23.05 ATOM 226 CD GLU 15 14.215 -19.258 12.094 1.00 11.33 ATOM 227 OE1 GLU 15 14.691 -18.136 12.367 1.00 44.11 ATOM 228 OE2 GLU 15 13.875 -19.596 10.941 1.00 14.24 ATOM 229 C GLU 15 10.977 -20.960 15.461 1.00 62.30 ATOM 230 O GLU 15 10.752 -20.244 16.436 1.00 52.01 ATOM 231 N GLN 16 10.020 -21.595 14.791 1.00 5.03 ATOM 232 HN GLN 16 10.266 -22.157 14.017 1.00 38.37 ATOM 233 CA GLN 16 8.618 -21.482 15.173 1.00 32.12 ATOM 234 HA GLN 16 8.374 -20.431 15.265 1.00 10.44 ATOM 235 CB GLN 16 7.723 -22.099 14.097 1.00 41.14 ATOM 236 HB1 GLN 16 7.927 -21.610 13.156 1.00 38.37 ATOM 237 HB2 GLN 16 6.688 -21.922 14.365 1.00 15.43 ATOM 238 CG GLN 16 7.935 -23.593 13.912 1.00 13.12 ATOM 239 HG1 GLN 16 8.021 -24.081 14.868 1.00 38.37 ATOM 240 HG2 GLN 16 8.846 -23.733 13.356 1.00 22.41 ATOM 241 CD GLN 16 6.811 -24.250 13.135 1.00 43.12 ATOM 242 OE1 GLN 16 6.377 -23.743 12.100 1.00 5.30 ATOM 243 NE2 GLN 16 6.333 -25.385 13.630 1.00 23.43 ATOM 244 HE21 GLN 16 6.716 -25.748 14.460 1.00 52.12 ATOM 245 HE22 GLN 16 5.606 -25.823 13.141 1.00 55.13 ATOM 246 C GLN 16 8.362 -22.162 16.514 1.00 23.03 ATOM 247 O GLN 16 7.433 -21.803 17.238 1.00 11.11 ATOM 248 N THR 17 9.193 -23.147 16.841 1.00 61.44 ATOM 249 HN THR 17 9.914 -23.407 16.224 1.00 38.37 ATOM 250 CA THR 17 9.056 -23.879 18.094 1.00 45.23 ATOM 251 HA THR 17 8.019 -24.176 18.206 1.00 43.40 ATOM 252 CB THR 17 9.920 -25.154 18.097 1.00 72.54 ATOM 253 HB THR 17 10.950 -24.874 17.947 1.00 74.35 ATOM 254 OG1 THR 17 9.516 -26.022 17.031 1.00 43.52 ATOM 255 HG1 THR 17 10.248 -26.594 16.785 1.00 42.12 ATOM 256 CG2 THR 17 9.800 -25.886 19.425 1.00 2.10 ATOM 257 HG21 THR 17 10.415 -25.401 20.169 1.00 2.23 ATOM 258 HG22 THR 17 10.138 -26.890 19.281 1.00 32.42 ATOM 259 HG23 THR 17 8.769 -25.901 19.756 1.00 2.53 ATOM 260 C THR 17 9.450 -23.010 19.283 1.00 34.21 ATOM 261 O THR 17 8.750 -22.973 20.295 1.00 1.25 ATOM 262 N VAL 18 10.573 -22.312 19.154 1.00 2.32 ATOM 263 HN VAL 18 11.089 -22.381 18.316 1.00 38.37 ATOM 264 CA VAL 18 11.059 -21.441 20.218 1.00 34.23 ATOM 265 HA VAL 18 11.277 -22.057 21.082 1.00 63.55 ATOM 266 CB VAL 18 12.350 -20.712 19.802 1.00 55.43 ATOM 267 HB VAL 18 12.137 -20.105 18.932 1.00 14.23 ATOM 268 CG1 VAL 18 12.827 -19.793 20.916 1.00 24.21 ATOM 269 HG11 VAL 18 13.828 -19.441 20.698 1.00 30.44 ATOM 270 HG12 VAL 18 12.835 -20.326 21.855 1.00 60.42 ATOM 271 HG13 VAL 18 12.168 -18.941 20.994 1.00 32.51 ATOM 272 CG2 VAL 18 13.430 -21.714 19.426 1.00 70.32 ATOM 273 HG21 VAL 18 13.853 -21.433 18.473 1.00 33.14 ATOM 274 HG22 VAL 18 13.023 -22.705 19.350 1.00 12.03 ATOM 275 HG23 VAL 18 14.218 -21.720 20.169 1.00 12.15 ATOM 276 C VAL 18 10.007 -20.408 20.606 1.00 35.21 ATOM 277 O VAL 18 9.598 -20.326 21.765 1.00 74.02 ATOM 278 N THR 19 9.570 -19.620 19.628 1.00 4.13 ATOM 279 HN THR 19 9.933 -19.735 18.717 1.00 38.37 ATOM 280 CA THR 19 8.566 -18.591 19.867 1.00 41.04 ATOM 281 HA THR 19 8.949 -17.916 20.615 1.00 5.33 ATOM 282 CB THR 19 8.276 -17.782 18.588 1.00 21.30 ATOM 283 HB THR 19 7.848 -18.442 17.845 1.00 64.23 ATOM 284 OG1 THR 19 9.492 -17.233 18.070 1.00 45.44 ATOM 285 HG1 THR 19 9.912 -16.650 18.717 1.00 33.24 ATOM 286 CG2 THR 19 7.287 -16.662 18.869 1.00 13.54 ATOM 287 HG21 THR 19 7.601 -16.101 19.739 1.00 14.02 ATOM 288 HG22 THR 19 6.304 -17.074 19.039 1.00 72.33 ATOM 289 HG23 THR 19 7.250 -16.001 18.016 1.00 64.34 ATOM 290 C THR 19 7.265 -19.200 20.375 1.00 74.31 ATOM 291 O THR 19 6.579 -18.613 21.212 1.00 71.21 ATOM 292 N TRP 20 6.931 -20.380 19.865 1.00 74.11 ATOM 293 HN TRP 20 7.507 -20.797 19.182 1.00 38.37 ATOM 294 CA TRP 20 5.710 -21.069 20.269 1.00 62.33 ATOM 295 HA TRP 20 4.871 -20.462 19.969 1.00 64.34 ATOM 296 CB TRP 20 5.607 -22.422 19.563 1.00 74.24 ATOM 297 HB1 TRP 20 6.507 -22.984 19.731 1.00 38.37 ATOM 298 HB2 TRP 20 5.483 -22.255 18.506 1.00 40.23 ATOM 299 CG TRP 20 4.443 -23.246 20.025 1.00 51.11 ATOM 300 CD1 TRP 20 3.158 -22.820 20.208 1.00 4.31 ATOM 301 HD1 TRP 20 2.822 -21.808 20.035 1.00 21.40 ATOM 302 CD2 TRP 20 4.458 -24.637 20.364 1.00 5.21 ATOM 303 NE1 TRP 20 2.374 -23.862 20.641 1.00 45.12 ATOM 304 HE1 TRP 20 1.416 -23.808 20.842 1.00 3.34 ATOM 305 CE2 TRP 20 3.148 -24.988 20.744 1.00 41.43 ATOM 306 CE3 TRP 20 5.451 -25.620 20.382 1.00 30.32 ATOM 307 HE3 TRP 20 6.468 -25.392 20.098 1.00 50.34 ATOM 308 CZ2 TRP 20 2.808 -26.279 21.137 1.00 21.22 ATOM 309 HZ2 TRP 20 1.801 -26.542 21.427 1.00 20.25 ATOM 310 CZ3 TRP 20 5.112 -26.902 20.773 1.00 10.43 ATOM 311 HZ3 TRP 20 5.862 -27.673 20.796 1.00 11.20 ATOM 312 CH2 TRP 20 3.800 -27.222 21.146 1.00 73.13 ATOM 313 HH2 TRP 20 3.591 -28.225 21.440 1.00 3.53 ATOM 314 C TRP 20 5.671 -21.267 21.780 1.00 2.51 ATOM 315 O TRP 20 4.626 -21.103 22.411 1.00 51.42 ATOM 316 N LEU 21 6.815 -21.619 22.356 1.00 2.31 ATOM 317 HN LEU 21 7.621 -21.743 21.801 1.00 38.37 ATOM 318 CA LEU 21 6.912 -21.838 23.795 1.00 15.02 ATOM 319 HA LEU 21 6.095 -22.476 24.100 1.00 24.32 ATOM 320 CB LEU 21 8.236 -22.521 24.139 1.00 22.23 ATOM 321 HB1 LEU 21 8.296 -22.617 25.217 1.00 38.37 ATOM 322 HB2 LEU 21 9.041 -21.877 23.808 1.00 41.13 ATOM 323 CG LEU 21 8.454 -23.908 23.532 1.00 10.52 ATOM 324 HG LEU 21 8.436 -23.832 22.460 1.00 65.12 ATOM 325 CD1 LEU 21 9.811 -24.461 23.939 1.00 34.42 ATOM 326 HD11 LEU 21 10.590 -23.789 23.606 1.00 12.42 ATOM 327 HD12 LEU 21 9.960 -25.430 23.483 1.00 40.21 ATOM 328 HD13 LEU 21 9.858 -24.560 25.015 1.00 22.15 ATOM 329 CD2 LEU 21 7.341 -24.855 23.954 1.00 74.33 ATOM 330 HD21 LEU 21 7.283 -24.895 25.033 1.00 32.50 ATOM 331 HD22 LEU 21 7.543 -25.847 23.571 1.00 22.34 ATOM 332 HD23 LEU 21 6.399 -24.512 23.556 1.00 20.33 ATOM 333 C LEU 21 6.793 -20.521 24.556 1.00 73.22 ATOM 334 O LEU 21 6.309 -20.489 25.688 1.00 41.52 ATOM 335 N ILE 22 7.235 -19.438 23.926 1.00 72.12 ATOM 336 HN ILE 22 7.615 -19.520 23.027 1.00 38.37 ATOM 337 CA ILE 22 7.175 -18.119 24.542 1.00 12.41 ATOM 338 HA ILE 22 7.503 -18.207 25.568 1.00 15.11 ATOM 339 CB ILE 22 8.100 -17.119 23.824 1.00 43.03 ATOM 340 HB ILE 22 7.732 -16.977 22.816 1.00 34.12 ATOM 341 CG1 ILE 22 9.528 -17.666 23.761 1.00 33.41 ATOM 342 HG11 ILE 22 9.523 -18.669 23.383 1.00 38.37 ATOM 343 HG12 ILE 22 9.955 -17.673 24.754 1.00 12.25 ATOM 344 CG2 ILE 22 8.074 -15.772 24.530 1.00 44.43 ATOM 345 HG21 ILE 22 8.742 -15.084 24.033 1.00 61.33 ATOM 346 HG22 ILE 22 8.389 -15.892 25.557 1.00 62.23 ATOM 347 HG23 ILE 22 7.076 -15.360 24.509 1.00 70.52 ATOM 348 CD1 ILE 22 10.447 -16.856 22.874 1.00 22.42 ATOM 349 HD11 ILE 22 10.603 -15.893 23.301 1.00 13.01 ATOM 350 HD12 ILE 22 10.008 -16.741 21.898 1.00 20.35 ATOM 351 HD13 ILE 22 11.395 -17.365 22.782 1.00 30.23 ATOM 352 C ILE 22 5.751 -17.572 24.534 1.00 61.31 ATOM 353 O ILE 22 5.230 -17.148 25.566 1.00 22.42 ATOM 354 N THR 23 5.124 -17.587 23.362 1.00 42.45 ATOM 355 HN THR 23 5.604 -17.917 22.569 1.00 38.37 ATOM 356 CA THR 23 3.760 -17.094 23.218 1.00 3.41 ATOM 357 HA THR 23 3.753 -16.042 23.470 1.00 72.52 ATOM 358 CB THR 23 3.258 -17.243 21.769 1.00 4.24 ATOM 359 HB THR 23 3.905 -16.671 21.119 1.00 61.32 ATOM 360 OG1 THR 23 1.922 -16.740 21.660 1.00 42.14 ATOM 361 HG1 THR 23 1.943 -15.783 21.583 1.00 41.12 ATOM 362 CG2 THR 23 3.295 -18.699 21.331 1.00 22.12 ATOM 363 HG21 THR 23 2.624 -19.291 21.931 1.00 71.32 ATOM 364 HG22 THR 23 4.283 -19.064 21.427 1.00 54.42 ATOM 365 HG23 THR 23 2.993 -18.764 20.296 1.00 45.23 ATOM 366 C THR 23 2.808 -17.831 24.152 1.00 31.32 ATOM 367 O THR 23 1.824 -17.263 24.628 1.00 51.13 ATOM 368 N LEU 24 3.106 -19.099 24.412 1.00 31.43 ATOM 369 HN LEU 24 3.893 -19.513 23.989 1.00 38.37 ATOM 370 CA LEU 24 2.276 -19.916 25.291 1.00 12.45 ATOM 371 HA LEU 24 1.241 -19.797 24.990 1.00 22.35 ATOM 372 CB LEU 24 2.664 -21.390 25.168 1.00 22.01 ATOM 373 HB1 LEU 24 2.400 -21.903 26.089 1.00 38.37 ATOM 374 HB2 LEU 24 3.743 -21.434 25.068 1.00 63.31 ATOM 375 CG LEU 24 2.036 -22.154 24.002 1.00 35.45 ATOM 376 HG LEU 24 1.985 -21.510 23.134 1.00 5.24 ATOM 377 CD1 LEU 24 2.887 -23.359 23.633 1.00 32.33 ATOM 378 HD11 LEU 24 3.477 -23.666 24.478 1.00 30.43 ATOM 379 HD12 LEU 24 3.548 -23.096 22.833 1.00 54.25 ATOM 380 HD13 LEU 24 2.262 -24.181 23.313 1.00 23.32 ATOM 381 CD2 LEU 24 0.619 -22.587 24.351 1.00 54.35 ATOM 382 HD21 LEU 24 0.180 -23.105 23.509 1.00 40.25 ATOM 383 HD22 LEU 24 0.021 -21.717 24.583 1.00 54.52 ATOM 384 HD23 LEU 24 0.639 -23.247 25.208 1.00 44.04 ATOM 385 C LEU 24 2.409 -19.462 26.742 1.00 63.52 ATOM 386 O LEU 24 1.504 -19.660 27.551 1.00 74.35 ATOM 387 N GLY 25 3.545 -18.851 27.063 1.00 25.04 ATOM 388 HN GLY 25 4.255 -18.741 26.404 1.00 38.37 ATOM 389 CA GLY 25 3.776 -18.377 28.416 1.00 71.24 ATOM 390 HA1 GLY 25 2.851 -18.004 28.839 1.00 38.37 ATOM 391 HA2 GLY 25 4.488 -17.565 28.377 1.00 24.12 ATOM 392 C GLY 25 4.329 -19.459 29.323 1.00 54.34 ATOM 393 O GLY 25 3.984 -19.526 30.503 1.00 40.44 ATOM 394 N VAL 26 5.188 -20.310 28.771 1.00 52.32 ATOM 395 HN VAL 26 5.434 -20.201 27.830 1.00 38.37 ATOM 396 CA VAL 26 5.789 -21.394 29.538 1.00 70.22 ATOM 397 HA VAL 26 5.445 -21.347 30.566 1.00 51.21 ATOM 398 CB VAL 26 5.400 -22.770 28.965 1.00 53.12 ATOM 399 HB VAL 26 6.023 -23.532 29.418 1.00 55.44 ATOM 400 CG1 VAL 26 3.953 -23.099 29.302 1.00 25.11 ATOM 401 HG11 VAL 26 3.697 -24.064 28.900 1.00 54.23 ATOM 402 HG12 VAL 26 3.304 -22.348 28.877 1.00 54.41 ATOM 403 HG13 VAL 26 3.827 -23.115 30.376 1.00 31.53 ATOM 404 CG2 VAL 26 5.626 -22.804 27.461 1.00 50.51 ATOM 405 HG21 VAL 26 5.416 -23.799 27.094 1.00 44.32 ATOM 406 HG22 VAL 26 6.650 -22.557 27.231 1.00 61.35 ATOM 407 HG23 VAL 26 4.965 -22.104 26.972 1.00 53.13 ATOM 408 C VAL 26 7.309 -21.276 29.558 1.00 12.04 ATOM 409 O VAL 26 7.958 -21.648 30.537 1.00 63.04 ATOM 410 N LEU 27 7.871 -20.755 28.473 1.00 33.41 ATOM 411 HN LEU 27 7.325 -20.496 27.703 1.00 38.37 ATOM 412 CA LEU 27 9.316 -20.587 28.366 1.00 52.13 ATOM 413 HA LEU 27 9.780 -20.929 29.284 1.00 5.52 ATOM 414 CB LEU 27 9.863 -21.429 27.212 1.00 71.31 ATOM 415 HB1 LEU 27 9.332 -21.129 26.319 1.00 38.37 ATOM 416 HB2 LEU 27 9.632 -22.453 27.405 1.00 72.41 ATOM 417 CG LEU 27 11.361 -21.297 26.936 1.00 61.10 ATOM 418 HG LEU 27 11.610 -20.263 26.779 1.00 40.11 ATOM 419 CD1 LEU 27 12.169 -21.796 28.124 1.00 73.10 ATOM 420 HD11 LEU 27 11.956 -22.837 28.289 1.00 15.42 ATOM 421 HD12 LEU 27 11.914 -21.234 29.008 1.00 51.34 ATOM 422 HD13 LEU 27 13.224 -21.676 27.921 1.00 14.13 ATOM 423 CD2 LEU 27 11.740 -22.058 25.674 1.00 50.23 ATOM 424 HD21 LEU 27 12.797 -21.935 25.480 1.00 70.54 ATOM 425 HD22 LEU 27 11.178 -21.671 24.835 1.00 55.13 ATOM 426 HD23 LEU 27 11.518 -23.109 25.800 1.00 64.41 ATOM 427 C LEU 27 9.679 -19.120 28.156 1.00 31.34 ATOM 428 O LEU 27 9.027 -18.414 27.388 1.00 3.31 ATOM 429 N GLU 28 10.724 -18.671 28.844 1.00 43.23 ATOM 430 HN GLU 28 11.205 -19.283 29.448 1.00 38.37 ATOM 431 CA GLU 28 11.174 -17.288 28.731 1.00 24.43 ATOM 432 HA GLU 28 10.322 -16.641 28.901 1.00 12.42 ATOM 433 CB GLU 28 12.236 -16.987 29.791 1.00 45.23 ATOM 434 HB1 GLU 28 11.884 -17.351 30.747 1.00 38.37 ATOM 435 HB2 GLU 28 12.372 -15.917 29.852 1.00 64.04 ATOM 436 CG GLU 28 13.585 -17.622 29.499 1.00 63.54 ATOM 437 HG1 GLU 28 14.007 -17.168 28.614 1.00 38.37 ATOM 438 HG2 GLU 28 13.447 -18.680 29.329 1.00 42.40 ATOM 439 CD GLU 28 14.574 -17.441 30.634 1.00 33.22 ATOM 440 OE1 GLU 28 14.863 -18.435 31.333 1.00 73.53 ATOM 441 OE2 GLU 28 15.058 -16.306 30.825 1.00 71.14 ATOM 442 C GLU 28 11.735 -17.010 27.340 1.00 62.34 ATOM 443 O GLU 28 12.164 -17.926 26.637 1.00 2.32 ATOM 444 N SER 29 11.728 -15.740 26.948 1.00 75.11 ATOM 445 HN SER 29 11.391 -15.046 27.564 1.00 38.37 ATOM 446 CA SER 29 12.231 -15.341 25.639 1.00 51.21 ATOM 447 HA SER 29 12.043 -16.151 24.951 1.00 45.12 ATOM 448 CB SER 29 11.493 -14.096 25.143 1.00 12.22 ATOM 449 HB1 SER 29 10.939 -13.645 25.956 1.00 38.37 ATOM 450 HB2 SER 29 10.809 -14.365 24.363 1.00 13.04 ATOM 451 OG SER 29 12.400 -13.134 24.633 1.00 21.30 ATOM 452 HG SER 29 12.670 -12.536 25.336 1.00 64.23 ATOM 453 C SER 29 13.731 -15.068 25.694 1.00 61.43 ATOM 454 O SER 29 14.308 -14.838 26.757 1.00 54.52 ATOM 455 N PRO 30 14.380 -15.096 24.520 1.00 12.30 ATOM 456 CA PRO 30 15.821 -14.854 24.406 1.00 1.44 ATOM 457 HA PRO 30 16.385 -15.500 25.064 1.00 11.11 ATOM 458 CB PRO 30 16.127 -15.211 22.950 1.00 51.54 ATOM 459 HB1 PRO 30 16.437 -16.237 22.908 1.00 38.37 ATOM 460 HB2 PRO 30 16.911 -14.582 22.546 1.00 34.43 ATOM 461 CG PRO 30 14.838 -15.008 22.231 1.00 34.23 ATOM 462 HG1 PRO 30 14.789 -15.655 21.371 1.00 38.37 ATOM 463 HG2 PRO 30 14.745 -13.975 21.930 1.00 10.43 ATOM 464 CD PRO 30 13.756 -15.364 23.213 1.00 21.55 ATOM 465 HD1 PRO 30 13.494 -16.408 23.119 1.00 38.37 ATOM 466 HD2 PRO 30 12.896 -14.748 23.039 1.00 62.12 ATOM 467 C PRO 30 16.189 -13.401 24.687 1.00 12.34 ATOM 468 O PRO 30 15.337 -12.595 25.064 1.00 60.32 ATOM 469 N LYS 31 17.463 -13.071 24.502 1.00 75.12 ATOM 470 HN LYS 31 18.108 -13.763 24.228 1.00 38.37 ATOM 471 CA LYS 31 17.944 -11.714 24.733 1.00 32.44 ATOM 472 HA LYS 31 17.148 -11.118 25.165 1.00 4.41 ATOM 473 CB LYS 31 19.128 -11.730 25.703 1.00 13.30 ATOM 474 HB1 LYS 31 19.711 -10.825 25.568 1.00 38.37 ATOM 475 HB2 LYS 31 19.762 -12.578 25.478 1.00 72.00 ATOM 476 CG LYS 31 18.717 -11.788 27.164 1.00 14.51 ATOM 477 HG1 LYS 31 17.821 -11.196 27.309 1.00 38.37 ATOM 478 HG2 LYS 31 19.513 -11.371 27.767 1.00 33.45 ATOM 479 CD LYS 31 18.438 -13.213 27.609 1.00 60.50 ATOM 480 HD1 LYS 31 17.863 -13.732 26.860 1.00 38.37 ATOM 481 HD2 LYS 31 17.868 -13.175 28.526 1.00 11.31 ATOM 482 CE LYS 31 19.727 -13.979 27.866 1.00 70.14 ATOM 483 HE1 LYS 31 20.511 -13.292 28.162 1.00 38.37 ATOM 484 HE2 LYS 31 20.018 -14.479 26.955 1.00 54.40 ATOM 485 NZ LYS 31 19.563 -14.998 28.940 1.00 53.44 ATOM 486 HZ1 LYS 31 19.284 -14.541 29.833 1.00 12.43 ATOM 487 HZ2 LYS 31 20.460 -15.502 29.091 1.00 73.32 ATOM 488 HZ3 LYS 31 18.833 -15.691 28.673 1.00 41.21 ATOM 489 C LYS 31 18.355 -11.052 23.423 1.00 44.15 ATOM 490 O LYS 31 18.324 -9.828 23.297 1.00 52.53 ATOM 491 N LYS 32 18.740 -11.868 22.447 1.00 21.55 ATOM 492 HN LYS 32 18.791 -12.835 22.601 1.00 38.37 ATOM 493 CA LYS 32 19.155 -11.363 21.144 1.00 3.25 ATOM 494 HA LYS 32 18.651 -10.423 20.954 1.00 54.32 ATOM 495 CB LYS 32 20.667 -11.123 21.125 1.00 33.34 ATOM 496 HB1 LYS 32 20.889 -10.346 21.844 1.00 38.37 ATOM 497 HB2 LYS 32 20.969 -10.783 20.152 1.00 35.41 ATOM 498 CG LYS 32 21.482 -12.351 21.492 1.00 32.33 ATOM 499 HG1 LYS 32 21.325 -13.117 20.745 1.00 38.37 ATOM 500 HG2 LYS 32 21.147 -12.717 22.453 1.00 63.33 ATOM 501 CD LYS 32 22.962 -12.027 21.598 1.00 4.42 ATOM 502 HD1 LYS 32 23.420 -12.741 22.267 1.00 38.37 ATOM 503 HD2 LYS 32 23.096 -11.030 21.999 1.00 13.14 ATOM 504 CE LYS 32 23.652 -12.122 20.246 1.00 40.31 ATOM 505 HE1 LYS 32 23.189 -12.895 19.646 1.00 38.37 ATOM 506 HE2 LYS 32 24.688 -12.379 20.412 1.00 4.23 ATOM 507 NZ LYS 32 23.598 -10.832 19.504 1.00 42.31 ATOM 508 HZ1 LYS 32 23.778 -10.026 20.141 1.00 70.13 ATOM 509 HZ2 LYS 32 22.670 -10.710 19.059 1.00 53.22 ATOM 510 HZ3 LYS 32 24.322 -10.828 18.757 1.00 60.20 ATOM 511 C LYS 32 18.770 -12.336 20.035 1.00 22.31 ATOM 512 O LYS 32 18.122 -13.353 20.284 1.00 31.31 ATOM 513 N THR 33 19.175 -12.019 18.809 1.00 75.31 ATOM 514 HN THR 33 19.660 -11.176 18.656 1.00 38.37 ATOM 515 CA THR 33 18.872 -12.866 17.662 1.00 41.33 ATOM 516 HA THR 33 17.791 -12.943 17.591 1.00 10.21 ATOM 517 CB THR 33 19.400 -12.248 16.353 1.00 30.01 ATOM 518 HB THR 33 20.477 -12.362 16.315 1.00 43.14 ATOM 519 OG1 THR 33 19.087 -10.851 16.309 1.00 21.45 ATOM 520 HG1 THR 33 19.707 -10.398 15.731 1.00 33.20 ATOM 521 CG2 THR 33 18.797 -12.946 15.143 1.00 31.04 ATOM 522 HG21 THR 33 17.719 -12.879 15.184 1.00 23.23 ATOM 523 HG22 THR 33 19.094 -13.984 15.135 1.00 64.41 ATOM 524 HG23 THR 33 19.151 -12.467 14.242 1.00 71.34 ATOM 525 C THR 33 19.472 -14.257 17.832 1.00 54.13 ATOM 526 O THR 33 20.656 -14.399 18.137 1.00 31.43 ATOM 527 N ILE 34 18.648 -15.280 17.631 1.00 15.33 ATOM 528 HN ILE 34 17.711 -15.109 17.375 1.00 38.37 ATOM 529 CA ILE 34 19.098 -16.660 17.761 1.00 41.11 ATOM 530 HA ILE 34 19.985 -16.679 18.391 1.00 61.01 ATOM 531 CB ILE 34 18.031 -17.539 18.440 1.00 42.03 ATOM 532 HB ILE 34 17.164 -17.586 17.794 1.00 31.24 ATOM 533 CG1 ILE 34 17.618 -16.932 19.782 1.00 30.32 ATOM 534 HG11 ILE 34 17.313 -15.905 19.638 1.00 38.37 ATOM 535 HG12 ILE 34 18.456 -16.957 20.463 1.00 44.24 ATOM 536 CG2 ILE 34 18.555 -18.955 18.631 1.00 53.42 ATOM 537 HG21 ILE 34 19.430 -18.936 19.267 1.00 41.41 ATOM 538 HG22 ILE 34 18.818 -19.387 17.678 1.00 4.20 ATOM 539 HG23 ILE 34 17.802 -19.574 19.085 1.00 54.30 ATOM 540 CD1 ILE 34 16.463 -17.653 20.441 1.00 73.00 ATOM 541 HD11 ILE 34 16.474 -18.706 20.216 1.00 54.40 ATOM 542 HD12 ILE 34 15.535 -17.230 20.093 1.00 34.30 ATOM 543 HD13 ILE 34 16.531 -17.528 21.504 1.00 41.43 ATOM 544 C ILE 34 19.441 -17.256 16.400 1.00 62.20 ATOM 545 O ILE 34 18.556 -17.536 15.592 1.00 35.23 ATOM 546 N SER 35 20.733 -17.450 16.153 1.00 10.44 ATOM 547 HN SER 35 21.399 -17.223 16.845 1.00 38.37 ATOM 548 CA SER 35 21.194 -18.011 14.889 1.00 22.32 ATOM 549 HA SER 35 20.531 -17.679 14.098 1.00 51.51 ATOM 550 CB SER 35 22.608 -17.518 14.573 1.00 35.22 ATOM 551 HB1 SER 35 22.573 -16.460 14.358 1.00 38.37 ATOM 552 HB2 SER 35 23.000 -18.043 13.712 1.00 11.52 ATOM 553 OG SER 35 23.478 -17.726 15.672 1.00 32.20 ATOM 554 HG SER 35 24.386 -17.589 15.392 1.00 10.51 ATOM 555 C SER 35 21.173 -19.536 14.933 1.00 61.25 ATOM 556 O SER 35 21.046 -20.196 13.901 1.00 55.22 ATOM 557 N ASP 36 21.299 -20.089 16.134 1.00 62.33 ATOM 558 HN ASP 36 21.421 -19.527 16.931 1.00 38.37 ATOM 559 CA ASP 36 21.294 -21.536 16.313 1.00 32.55 ATOM 560 HA ASP 36 21.134 -22.008 15.351 1.00 12.12 ATOM 561 CB ASP 36 22.643 -22.009 16.858 1.00 74.21 ATOM 562 HB1 ASP 36 22.696 -21.852 17.927 1.00 38.37 ATOM 563 HB2 ASP 36 23.430 -21.438 16.385 1.00 41.33 ATOM 564 CG ASP 36 22.902 -23.475 16.569 1.00 43.54 ATOM 565 OD1 ASP 36 24.032 -23.940 16.827 1.00 3.44 ATOM 566 OD2 ASP 36 21.975 -24.157 16.084 1.00 4.51 ATOM 567 C ASP 36 20.173 -21.963 17.256 1.00 10.35 ATOM 568 O ASP 36 20.404 -22.334 18.407 1.00 23.03 ATOM 569 N PRO 37 18.928 -21.908 16.760 1.00 43.23 ATOM 570 CA PRO 37 17.747 -22.284 17.542 1.00 54.15 ATOM 571 HA PRO 37 17.707 -21.752 18.482 1.00 45.23 ATOM 572 CB PRO 37 16.579 -21.845 16.654 1.00 65.14 ATOM 573 HB1 PRO 37 16.271 -20.850 16.937 1.00 38.37 ATOM 574 HB2 PRO 37 15.740 -22.523 16.755 1.00 64.42 ATOM 575 CG PRO 37 17.130 -21.859 15.270 1.00 64.05 ATOM 576 HG1 PRO 37 16.604 -21.141 14.658 1.00 38.37 ATOM 577 HG2 PRO 37 17.040 -22.850 14.849 1.00 5.34 ATOM 578 CD PRO 37 18.579 -21.475 15.396 1.00 14.24 ATOM 579 HD1 PRO 37 18.686 -20.408 15.290 1.00 38.37 ATOM 580 HD2 PRO 37 19.165 -21.994 14.654 1.00 44.15 ATOM 581 C PRO 37 17.680 -23.784 17.806 1.00 20.11 ATOM 582 O PRO 37 16.943 -24.237 18.681 1.00 12.52 ATOM 583 N GLU 38 18.455 -24.550 17.044 1.00 2.24 ATOM 584 HN GLU 38 19.000 -24.149 16.333 1.00 38.37 ATOM 585 CA GLU 38 18.483 -26.000 17.198 1.00 54.43 ATOM 586 HA GLU 38 17.464 -26.363 17.160 1.00 60.14 ATOM 587 CB GLU 38 19.284 -26.640 16.062 1.00 11.22 ATOM 588 HB1 GLU 38 19.506 -27.670 16.325 1.00 38.37 ATOM 589 HB2 GLU 38 20.214 -26.102 15.946 1.00 20.54 ATOM 590 CG GLU 38 18.560 -26.630 14.726 1.00 4.00 ATOM 591 HG1 GLU 38 18.750 -25.686 14.237 1.00 38.37 ATOM 592 HG2 GLU 38 17.496 -26.740 14.891 1.00 51.11 ATOM 593 CD GLU 38 19.013 -27.750 13.810 1.00 75.34 ATOM 594 OE1 GLU 38 18.598 -28.906 14.036 1.00 63.32 ATOM 595 OE2 GLU 38 19.781 -27.470 12.866 1.00 71.24 ATOM 596 C GLU 38 19.084 -26.393 18.544 1.00 60.11 ATOM 597 O GLU 38 18.649 -27.357 19.173 1.00 52.23 ATOM 598 N GLY 39 20.089 -25.639 18.980 1.00 71.13 ATOM 599 HN GLY 39 20.419 -24.887 18.440 1.00 38.37 ATOM 600 CA GLY 39 20.735 -25.925 20.248 1.00 53.54 ATOM 601 HA1 GLY 39 21.752 -25.563 20.203 1.00 38.37 ATOM 602 HA2 GLY 39 20.759 -26.995 20.420 1.00 11.41 ATOM 603 C GLY 39 20.039 -25.255 21.416 1.00 31.53 ATOM 604 O GLY 39 19.922 -25.838 22.495 1.00 75.15 ATOM 605 N PHE 40 19.577 -24.028 21.204 1.00 43.51 ATOM 606 HN PHE 40 19.710 -23.604 20.323 1.00 38.37 ATOM 607 CA PHE 40 18.892 -23.277 22.249 1.00 32.05 ATOM 608 HA PHE 40 19.583 -23.137 23.069 1.00 23.25 ATOM 609 CB PHE 40 18.464 -21.905 21.725 1.00 42.31 ATOM 610 HB1 PHE 40 17.912 -22.041 20.803 1.00 38.37 ATOM 611 HB2 PHE 40 19.351 -21.320 21.515 1.00 1.45 ATOM 612 CG PHE 40 17.607 -21.135 22.688 1.00 34.34 ATOM 613 CD1 PHE 40 18.181 -20.399 23.712 1.00 51.43 ATOM 614 HD1 PHE 40 19.257 -20.378 23.817 1.00 1.43 ATOM 615 CD2 PHE 40 16.226 -21.148 22.570 1.00 21.24 ATOM 616 HD2 PHE 40 15.762 -21.718 21.777 1.00 44.44 ATOM 617 CE1 PHE 40 17.394 -19.690 24.600 1.00 32.30 ATOM 618 HE1 PHE 40 17.854 -19.121 25.394 1.00 14.41 ATOM 619 CE2 PHE 40 15.434 -20.441 23.456 1.00 71.54 ATOM 620 HE2 PHE 40 14.361 -20.460 23.356 1.00 41.24 ATOM 621 CZ PHE 40 16.019 -19.711 24.471 1.00 12.21 ATOM 622 HZ PHE 40 15.402 -19.158 25.164 1.00 12.41 ATOM 623 C PHE 40 17.673 -24.042 22.758 1.00 2.20 ATOM 624 O PHE 40 17.277 -23.903 23.916 1.00 4.31 ATOM 625 N LEU 41 17.082 -24.849 21.884 1.00 22.33 ATOM 626 HN LEU 41 17.418 -24.904 20.961 1.00 38.37 ATOM 627 CA LEU 41 15.908 -25.637 22.243 1.00 11.21 ATOM 628 HA LEU 41 15.287 -25.039 22.892 1.00 52.51 ATOM 629 CB LEU 41 15.122 -26.019 20.987 1.00 5.03 ATOM 630 HB1 LEU 41 14.589 -26.944 21.168 1.00 38.37 ATOM 631 HB2 LEU 41 15.838 -26.197 20.196 1.00 31.30 ATOM 632 CG LEU 41 14.113 -24.985 20.486 1.00 24.22 ATOM 633 HG LEU 41 14.619 -24.042 20.339 1.00 14.43 ATOM 634 CD1 LEU 41 13.526 -25.416 19.151 1.00 33.34 ATOM 635 HD11 LEU 41 12.867 -24.654 18.781 1.00 60.52 ATOM 636 HD12 LEU 41 12.974 -26.337 19.276 1.00 62.31 ATOM 637 HD13 LEU 41 14.323 -25.575 18.441 1.00 4.55 ATOM 638 CD2 LEU 41 13.011 -24.775 21.514 1.00 53.25 ATOM 639 HD21 LEU 41 13.430 -24.378 22.425 1.00 33.24 ATOM 640 HD22 LEU 41 12.523 -25.716 21.724 1.00 51.01 ATOM 641 HD23 LEU 41 12.282 -24.075 21.126 1.00 75.43 ATOM 642 C LEU 41 16.308 -26.894 23.009 1.00 44.15 ATOM 643 O LEU 41 15.707 -27.228 24.029 1.00 71.23 ATOM 644 N GLN 42 17.329 -27.584 22.510 1.00 74.44 ATOM 645 HN GLN 42 17.766 -27.273 21.681 1.00 38.37 ATOM 646 CA GLN 42 17.810 -28.804 23.148 1.00 50.20 ATOM 647 HA GLN 42 17.023 -29.543 23.089 1.00 32.12 ATOM 648 CB GLN 42 19.044 -29.334 22.417 1.00 64.22 ATOM 649 HB1 GLN 42 19.841 -28.604 22.485 1.00 38.37 ATOM 650 HB2 GLN 42 18.787 -29.466 21.375 1.00 61.24 ATOM 651 CG GLN 42 19.539 -30.670 22.948 1.00 50.11 ATOM 652 HG1 GLN 42 20.032 -31.193 22.141 1.00 38.37 ATOM 653 HG2 GLN 42 18.694 -31.259 23.284 1.00 33.12 ATOM 654 CD GLN 42 20.527 -30.515 24.087 1.00 64.31 ATOM 655 OE1 GLN 42 21.431 -29.681 24.031 1.00 11.40 ATOM 656 NE2 GLN 42 20.361 -31.321 25.129 1.00 32.02 ATOM 657 HE21 GLN 42 19.622 -31.971 25.122 1.00 54.42 ATOM 658 HE22 GLN 42 20.990 -31.235 25.875 1.00 74.21 ATOM 659 C GLN 42 18.141 -28.555 24.616 1.00 64.52 ATOM 660 O GLN 42 17.799 -29.358 25.484 1.00 52.32 ATOM 661 N ALA 43 18.810 -27.439 24.886 1.00 64.24 ATOM 662 HN ALA 43 19.067 -26.837 24.148 1.00 38.37 ATOM 663 CA ALA 43 19.187 -27.085 26.248 1.00 13.44 ATOM 664 HA ALA 43 19.789 -27.889 26.653 1.00 12.44 ATOM 665 CB ALA 43 20.033 -25.820 26.250 1.00 15.12 ATOM 666 HB1 ALA 43 20.900 -25.969 25.623 1.00 53.43 ATOM 667 HB2 ALA 43 20.355 -25.599 27.258 1.00 71.42 ATOM 668 HB3 ALA 43 19.452 -24.993 25.867 1.00 13.13 ATOM 669 C ALA 43 17.955 -26.901 27.128 1.00 54.42 ATOM 670 O ALA 43 17.883 -27.437 28.233 1.00 25.43 ATOM 671 N SER 44 16.986 -26.138 26.630 1.00 64.00 ATOM 672 HN SER 44 17.098 -25.736 25.735 1.00 38.37 ATOM 673 CA SER 44 15.759 -25.880 27.373 1.00 54.51 ATOM 674 HA SER 44 16.027 -25.522 28.359 1.00 12.04 ATOM 675 CB SER 44 14.929 -24.803 26.670 1.00 4.34 ATOM 676 HB1 SER 44 14.844 -25.045 25.621 1.00 38.37 ATOM 677 HB2 SER 44 15.418 -23.846 26.779 1.00 12.41 ATOM 678 OG SER 44 13.628 -24.718 27.225 1.00 3.13 ATOM 679 HG SER 44 13.659 -24.222 28.047 1.00 45.52 ATOM 680 C SER 44 14.935 -27.155 27.522 1.00 71.12 ATOM 681 O SER 44 14.165 -27.304 28.472 1.00 52.34 ATOM 682 N LEU 45 15.103 -28.074 26.577 1.00 54.52 ATOM 683 HN LEU 45 15.725 -27.907 25.833 1.00 38.37 ATOM 684 CA LEU 45 14.375 -29.338 26.601 1.00 4.01 ATOM 685 HA LEU 45 13.381 -29.158 26.995 1.00 11.43 ATOM 686 CB LEU 45 14.241 -29.899 25.184 1.00 23.14 ATOM 687 HB1 LEU 45 13.840 -30.893 25.246 1.00 38.37 ATOM 688 HB2 LEU 45 15.239 -29.960 24.773 1.00 74.24 ATOM 689 CG LEU 45 13.365 -29.094 24.224 1.00 62.12 ATOM 690 HG LEU 45 13.546 -28.040 24.367 1.00 44.21 ATOM 691 CD1 LEU 45 13.702 -29.436 22.781 1.00 51.23 ATOM 692 HD11 LEU 45 12.996 -30.149 22.395 1.00 64.13 ATOM 693 HD12 LEU 45 14.699 -29.845 22.707 1.00 12.33 ATOM 694 HD13 LEU 45 13.647 -28.538 22.189 1.00 53.40 ATOM 695 CD2 LEU 45 11.892 -29.350 24.505 1.00 54.25 ATOM 696 HD21 LEU 45 11.640 -30.372 24.255 1.00 3.45 ATOM 697 HD22 LEU 45 11.292 -28.675 23.919 1.00 71.44 ATOM 698 HD23 LEU 45 11.689 -29.178 25.552 1.00 51.53 ATOM 699 C LEU 45 15.077 -30.353 27.498 1.00 44.32 ATOM 700 O LEU 45 14.456 -31.291 27.998 1.00 51.42 ATOM 701 N LYS 46 16.376 -30.158 27.699 1.00 2.34 ATOM 702 HN LYS 46 16.834 -29.412 27.252 1.00 38.37 ATOM 703 CA LYS 46 17.164 -31.053 28.539 1.00 54.12 ATOM 704 HA LYS 46 17.212 -32.012 28.041 1.00 23.45 ATOM 705 CB LYS 46 18.581 -30.503 28.717 1.00 72.53 ATOM 706 HB1 LYS 46 18.572 -29.700 29.445 1.00 38.37 ATOM 707 HB2 LYS 46 18.914 -30.104 27.767 1.00 33.15 ATOM 708 CG LYS 46 19.586 -31.549 29.166 1.00 25.23 ATOM 709 HG1 LYS 46 19.577 -32.368 28.460 1.00 38.37 ATOM 710 HG2 LYS 46 19.287 -31.912 30.140 1.00 30.14 ATOM 711 CD LYS 46 20.992 -30.977 29.237 1.00 2.30 ATOM 712 HD1 LYS 46 20.949 -29.913 29.438 1.00 38.37 ATOM 713 HD2 LYS 46 21.483 -31.143 28.291 1.00 42.03 ATOM 714 CE LYS 46 21.810 -31.641 30.334 1.00 11.33 ATOM 715 HE1 LYS 46 21.838 -32.707 30.155 1.00 38.37 ATOM 716 HE2 LYS 46 21.338 -31.449 31.287 1.00 51.44 ATOM 717 NZ LYS 46 23.206 -31.124 30.376 1.00 71.14 ATOM 718 HZ1 LYS 46 23.207 -30.098 30.558 1.00 52.42 ATOM 719 HZ2 LYS 46 23.687 -31.305 29.471 1.00 31.33 ATOM 720 HZ3 LYS 46 23.737 -31.598 31.135 1.00 44.22 ATOM 721 C LYS 46 16.505 -31.240 29.902 1.00 71.43 ATOM 722 O LYS 46 16.202 -32.363 30.306 1.00 22.22 ATOM 723 N ASP 47 16.285 -30.135 30.604 1.00 15.23 ATOM 724 HN ASP 47 16.522 -29.268 30.200 1.00 38.37 ATOM 725 CA ASP 47 15.659 -30.177 31.921 1.00 70.41 ATOM 726 HA ASP 47 16.286 -30.772 32.572 1.00 60.11 ATOM 727 CB ASP 47 15.546 -28.767 32.501 1.00 12.13 ATOM 728 HB1 ASP 47 15.370 -28.836 33.564 1.00 38.37 ATOM 729 HB2 ASP 47 14.718 -28.246 32.036 1.00 64.22 ATOM 730 CG ASP 47 16.801 -27.946 32.277 1.00 74.11 ATOM 731 OD1 ASP 47 17.907 -28.517 32.370 1.00 20.11 ATOM 732 OD2 ASP 47 16.676 -26.732 32.009 1.00 61.52 ATOM 733 C ASP 47 14.279 -30.822 31.846 1.00 35.31 ATOM 734 O ASP 47 13.954 -31.710 32.633 1.00 74.41 ATOM 735 N GLY 48 13.469 -30.368 30.894 1.00 1.31 ATOM 736 HN GLY 48 13.770 -29.653 30.289 1.00 38.37 ATOM 737 CA GLY 48 12.133 -30.911 30.735 1.00 53.41 ATOM 738 HA1 GLY 48 12.116 -31.948 31.023 1.00 38.37 ATOM 739 HA2 GLY 48 11.869 -30.847 29.689 1.00 33.54 ATOM 740 C GLY 48 11.097 -30.143 31.532 1.00 75.41 ATOM 741 O GLY 48 9.898 -30.252 31.272 1.00 10.55 ATOM 742 N VAL 49 11.558 -29.367 32.507 1.00 41.51 ATOM 743 HN VAL 49 12.513 -29.286 32.648 1.00 38.37 ATOM 744 CA VAL 49 10.663 -28.578 33.345 1.00 33.53 ATOM 745 HA VAL 49 10.083 -29.264 33.949 1.00 23.54 ATOM 746 CB VAL 49 11.450 -27.645 34.285 1.00 75.33 ATOM 747 HB VAL 49 12.010 -26.941 33.684 1.00 74.53 ATOM 748 CG1 VAL 49 10.500 -26.859 35.175 1.00 55.21 ATOM 749 HG11 VAL 49 9.799 -27.532 35.651 1.00 43.52 ATOM 750 HG12 VAL 49 9.958 -26.136 34.584 1.00 72.15 ATOM 751 HG13 VAL 49 11.062 -26.334 35.937 1.00 24.12 ATOM 752 CG2 VAL 49 12.439 -28.443 35.120 1.00 4.34 ATOM 753 HG21 VAL 49 11.918 -29.232 35.632 1.00 50.11 ATOM 754 HG22 VAL 49 12.912 -27.795 35.846 1.00 34.20 ATOM 755 HG23 VAL 49 13.198 -28.868 34.484 1.00 51.15 ATOM 756 C VAL 49 9.710 -27.743 32.498 1.00 51.21 ATOM 757 O VAL 49 8.580 -27.469 32.902 1.00 33.11 ATOM 758 N VAL 50 10.173 -27.340 31.319 1.00 45.00 ATOM 759 HN VAL 50 11.092 -27.562 31.049 1.00 38.37 ATOM 760 CA VAL 50 9.362 -26.536 30.412 1.00 21.35 ATOM 761 HA VAL 50 8.794 -25.822 31.001 1.00 24.02 ATOM 762 CB VAL 50 10.240 -25.748 29.423 1.00 43.13 ATOM 763 HB VAL 50 10.748 -26.450 28.774 1.00 75.55 ATOM 764 CG1 VAL 50 9.384 -24.836 28.558 1.00 75.12 ATOM 765 HG11 VAL 50 10.023 -24.323 27.858 1.00 61.41 ATOM 766 HG12 VAL 50 8.874 -24.113 29.178 1.00 63.35 ATOM 767 HG13 VAL 50 8.657 -25.413 28.007 1.00 74.12 ATOM 768 CG2 VAL 50 11.298 -24.949 30.169 1.00 21.11 ATOM 769 HG21 VAL 50 10.821 -24.213 30.802 1.00 1.31 ATOM 770 HG22 VAL 50 11.937 -24.453 29.461 1.00 73.13 ATOM 771 HG23 VAL 50 11.901 -25.605 30.777 1.00 2.04 ATOM 772 C VAL 50 8.388 -27.408 29.628 1.00 50.12 ATOM 773 O VAL 50 7.243 -27.020 29.391 1.00 61.13 ATOM 774 N LEU 51 8.849 -28.588 29.227 1.00 0.44 ATOM 775 HN LEU 51 9.781 -28.840 29.428 1.00 38.37 ATOM 776 CA LEU 51 8.018 -29.516 28.469 1.00 61.40 ATOM 777 HA LEU 51 7.774 -29.046 27.531 1.00 75.05 ATOM 778 CB LEU 51 8.776 -30.821 28.217 1.00 44.21 ATOM 779 HB1 LEU 51 8.067 -31.614 28.109 1.00 38.37 ATOM 780 HB2 LEU 51 9.379 -31.035 29.085 1.00 31.33 ATOM 781 CG LEU 51 9.685 -30.842 26.987 1.00 22.04 ATOM 782 HG LEU 51 10.380 -30.019 27.051 1.00 53.11 ATOM 783 CD1 LEU 51 10.488 -32.133 26.939 1.00 0.33 ATOM 784 HD11 LEU 51 11.142 -32.122 26.077 1.00 43.32 ATOM 785 HD12 LEU 51 9.817 -32.979 26.869 1.00 45.13 ATOM 786 HD13 LEU 51 11.085 -32.222 27.836 1.00 1.52 ATOM 787 CD2 LEU 51 8.866 -30.673 25.716 1.00 63.41 ATOM 788 HD21 LEU 51 9.503 -30.821 24.860 1.00 64.54 ATOM 789 HD22 LEU 51 8.454 -29.677 25.679 1.00 21.52 ATOM 790 HD23 LEU 51 8.066 -31.392 25.695 1.00 51.40 ATOM 791 C LEU 51 6.714 -29.807 29.206 1.00 44.14 ATOM 792 O LEU 51 5.627 -29.642 28.652 1.00 71.45 ATOM 793 N CYS 52 6.831 -30.237 30.457 1.00 64.21 ATOM 794 HN CYS 52 7.732 -30.351 30.845 1.00 38.37 ATOM 795 CA CYS 52 5.662 -30.549 31.271 1.00 73.24 ATOM 796 HA CYS 52 5.154 -31.389 30.816 1.00 1.11 ATOM 797 CB CYS 52 6.088 -30.918 32.692 1.00 35.43 ATOM 798 HB1 CYS 52 5.267 -30.746 33.378 1.00 38.37 ATOM 799 HB2 CYS 52 6.925 -30.302 32.987 1.00 43.24 ATOM 800 SG CYS 52 6.588 -32.645 32.888 1.00 2.21 ATOM 801 HG CYS 52 7.912 -32.689 32.895 1.00 43.41 ATOM 802 C CYS 52 4.694 -29.371 31.306 1.00 2.33 ATOM 803 O CYS 52 3.496 -29.531 31.073 1.00 21.22 ATOM 804 N ARG 53 5.222 -28.187 31.601 1.00 21.23 ATOM 805 HN ARG 53 6.190 -28.122 31.786 1.00 38.37 ATOM 806 CA ARG 53 4.405 -26.982 31.671 1.00 73.04 ATOM 807 HA ARG 53 3.732 -27.083 32.512 1.00 2.34 ATOM 808 CB ARG 53 5.289 -25.751 31.879 1.00 23.54 ATOM 809 HB1 ARG 53 4.700 -24.855 31.716 1.00 38.37 ATOM 810 HB2 ARG 53 6.092 -25.777 31.158 1.00 71.13 ATOM 811 CG ARG 53 5.892 -25.664 33.272 1.00 41.00 ATOM 812 HG1 ARG 53 6.416 -26.581 33.490 1.00 38.37 ATOM 813 HG2 ARG 53 5.096 -25.526 33.988 1.00 41.54 ATOM 814 CD ARG 53 6.861 -24.497 33.387 1.00 32.43 ATOM 815 HD1 ARG 53 6.293 -23.578 33.345 1.00 38.37 ATOM 816 HD2 ARG 53 7.558 -24.529 32.559 1.00 74.24 ATOM 817 NE ARG 53 7.618 -24.536 34.635 1.00 22.44 ATOM 818 HE ARG 53 7.536 -25.340 35.200 1.00 71.41 ATOM 819 CZ ARG 53 8.410 -23.552 35.046 1.00 51.34 ATOM 820 NH1 ARG 53 8.546 -22.457 34.311 1.00 45.42 ATOM 821 HH11 ARG 53 8.064 -22.348 33.443 1.00 62.01 ATOM 822 HH12 ARG 53 9.144 -21.719 34.629 1.00 63.04 ATOM 823 NH2 ARG 53 9.066 -23.661 36.194 1.00 64.15 ATOM 824 HH21 ARG 53 8.966 -24.486 36.755 1.00 33.13 ATOM 825 HH22 ARG 53 9.664 -22.920 36.505 1.00 11.23 ATOM 826 C ARG 53 3.574 -26.815 30.402 1.00 53.12 ATOM 827 O ARG 53 2.368 -26.568 30.464 1.00 24.31 ATOM 828 N LEU 54 4.225 -26.950 29.252 1.00 23.21 ATOM 829 HN LEU 54 5.194 -27.139 29.264 1.00 38.37 ATOM 830 CA LEU 54 3.547 -26.814 27.968 1.00 41.13 ATOM 831 HA LEU 54 3.193 -25.800 27.878 1.00 55.03 ATOM 832 CB LEU 54 4.519 -27.101 26.822 1.00 25.33 ATOM 833 HB1 LEU 54 5.108 -27.964 27.084 1.00 38.37 ATOM 834 HB2 LEU 54 5.184 -26.252 26.737 1.00 52.04 ATOM 835 CG LEU 54 3.888 -27.356 25.453 1.00 34.14 ATOM 836 HG LEU 54 3.309 -28.262 25.494 1.00 64.44 ATOM 837 CD1 LEU 54 2.955 -26.216 25.075 1.00 0.14 ATOM 838 HD11 LEU 54 3.276 -25.302 25.548 1.00 41.43 ATOM 839 HD12 LEU 54 1.956 -26.450 25.398 1.00 32.23 ATOM 840 HD13 LEU 54 2.948 -26.082 24.002 1.00 34.32 ATOM 841 CD2 LEU 54 4.965 -27.540 24.395 1.00 51.14 ATOM 842 HD21 LEU 54 4.513 -27.869 23.487 1.00 43.53 ATOM 843 HD22 LEU 54 5.680 -28.283 24.722 1.00 62.30 ATOM 844 HD23 LEU 54 5.469 -26.609 24.226 1.00 2.42 ATOM 845 C LEU 54 2.350 -27.755 27.882 1.00 53.24 ATOM 846 O LEU 54 1.272 -27.366 27.430 1.00 12.40 ATOM 847 N LEU 55 2.545 -28.994 28.319 1.00 11.22 ATOM 848 HN LEU 55 3.433 -29.253 28.663 1.00 38.37 ATOM 849 CA LEU 55 1.480 -29.991 28.294 1.00 3.20 ATOM 850 HA LEU 55 1.117 -30.068 27.278 1.00 11.21 ATOM 851 CB LEU 55 2.021 -31.354 28.730 1.00 14.22 ATOM 852 HB1 LEU 55 2.549 -31.223 29.661 1.00 38.37 ATOM 853 HB2 LEU 55 2.729 -31.682 27.981 1.00 11.22 ATOM 854 CG LEU 55 0.980 -32.457 28.925 1.00 61.32 ATOM 855 HG LEU 55 0.322 -32.192 29.740 1.00 53.13 ATOM 856 CD1 LEU 55 0.133 -32.619 27.672 1.00 31.13 ATOM 857 HD11 LEU 55 -0.340 -31.690 27.412 1.00 73.34 ATOM 858 HD12 LEU 55 -0.629 -33.363 27.849 1.00 73.15 ATOM 859 HD13 LEU 55 0.754 -32.938 26.856 1.00 33.44 ATOM 860 CD2 LEU 55 1.657 -33.771 29.286 1.00 24.23 ATOM 861 HD21 LEU 55 1.099 -34.247 30.078 1.00 55.31 ATOM 862 HD22 LEU 55 2.670 -33.597 29.622 1.00 12.14 ATOM 863 HD23 LEU 55 1.686 -34.431 28.428 1.00 63.42 ATOM 864 C LEU 55 0.324 -29.576 29.199 1.00 64.12 ATOM 865 O LEU 55 -0.821 -29.966 28.976 1.00 71.13 ATOM 866 N GLU 56 0.634 -28.782 30.219 1.00 54.52 ATOM 867 HN GLU 56 1.565 -28.531 30.374 1.00 38.37 ATOM 868 CA GLU 56 -0.381 -28.313 31.156 1.00 64.01 ATOM 869 HA GLU 56 -1.063 -29.132 31.357 1.00 64.43 ATOM 870 CB GLU 56 0.272 -27.863 32.465 1.00 53.12 ATOM 871 HB1 GLU 56 -0.250 -26.998 32.860 1.00 38.37 ATOM 872 HB2 GLU 56 1.296 -27.584 32.281 1.00 11.42 ATOM 873 CG GLU 56 0.277 -28.934 33.542 1.00 30.32 ATOM 874 HG1 GLU 56 0.911 -28.605 34.352 1.00 38.37 ATOM 875 HG2 GLU 56 0.674 -29.847 33.127 1.00 53.14 ATOM 876 CD GLU 56 -1.107 -29.212 34.095 1.00 33.33 ATOM 877 OE1 GLU 56 -1.459 -30.401 34.247 1.00 44.21 ATOM 878 OE2 GLU 56 -1.839 -28.240 34.377 1.00 72.13 ATOM 879 C GLU 56 -1.187 -27.165 30.556 1.00 51.02 ATOM 880 O GLU 56 -2.347 -26.954 30.912 1.00 64.31 ATOM 881 N ARG 57 -0.564 -26.426 29.644 1.00 55.33 ATOM 882 HN ARG 57 0.370 -26.623 29.409 1.00 38.37 ATOM 883 CA ARG 57 -1.223 -25.298 28.995 1.00 23.01 ATOM 884 HA ARG 57 -1.624 -24.656 29.762 1.00 62.14 ATOM 885 CB ARG 57 -0.222 -24.520 28.138 1.00 74.31 ATOM 886 HB1 ARG 57 -0.755 -23.863 27.465 1.00 38.37 ATOM 887 HB2 ARG 57 0.346 -25.218 27.549 1.00 14.51 ATOM 888 CG ARG 57 0.755 -23.686 28.949 1.00 1.40 ATOM 889 HG1 ARG 57 1.442 -23.213 28.267 1.00 38.37 ATOM 890 HG2 ARG 57 1.297 -24.330 29.626 1.00 0.51 ATOM 891 CD ARG 57 0.038 -22.610 29.750 1.00 22.34 ATOM 892 HD1 ARG 57 0.781 -21.986 30.226 1.00 38.37 ATOM 893 HD2 ARG 57 -0.561 -23.087 30.509 1.00 0.43 ATOM 894 NE ARG 57 -0.809 -21.772 28.906 1.00 33.44 ATOM 895 HE ARG 57 -0.675 -21.810 27.931 1.00 72.21 ATOM 896 CZ ARG 57 -1.736 -20.949 29.383 1.00 35.21 ATOM 897 NH1 ARG 57 -1.934 -20.854 30.691 1.00 40.34 ATOM 898 HH11 ARG 57 -1.399 -21.387 31.341 1.00 75.01 ATOM 899 HH12 ARG 57 -2.638 -20.232 31.040 1.00 20.11 ATOM 900 NH2 ARG 57 -2.468 -20.219 28.551 1.00 11.21 ATOM 901 HH21 ARG 57 -2.324 -20.286 27.562 1.00 41.12 ATOM 902 HH22 ARG 57 -3.168 -19.597 28.908 1.00 45.13 ATOM 903 C ARG 57 -2.388 -25.772 28.132 1.00 72.03 ATOM 904 O ARG 57 -3.518 -25.305 28.284 1.00 62.00 ATOM 905 N LEU 58 -2.106 -26.701 27.225 1.00 34.33 ATOM 906 HN LEU 58 -1.196 -27.077 27.196 1.00 38.37 ATOM 907 CA LEU 58 -3.131 -27.239 26.337 1.00 41.24 ATOM 908 HA LEU 58 -3.796 -26.433 26.050 1.00 13.04 ATOM 909 CB LEU 58 -2.488 -27.812 25.072 1.00 2.15 ATOM 910 HB1 LEU 58 -3.249 -27.877 24.306 1.00 38.37 ATOM 911 HB2 LEU 58 -2.147 -28.820 25.294 1.00 63.20 ATOM 912 CG LEU 58 -1.300 -27.030 24.510 1.00 21.22 ATOM 913 HG LEU 58 -0.577 -26.850 25.287 1.00 42.43 ATOM 914 CD1 LEU 58 -0.599 -27.832 23.425 1.00 63.31 ATOM 915 HD11 LEU 58 -0.913 -27.496 22.447 1.00 1.43 ATOM 916 HD12 LEU 58 -0.819 -28.887 23.527 1.00 45.45 ATOM 917 HD13 LEU 58 0.467 -27.688 23.517 1.00 72.03 ATOM 918 CD2 LEU 58 -1.756 -25.683 23.970 1.00 41.23 ATOM 919 HD21 LEU 58 -2.464 -25.832 23.166 1.00 13.11 ATOM 920 HD22 LEU 58 -0.902 -25.133 23.598 1.00 4.01 ATOM 921 HD23 LEU 58 -2.226 -25.116 24.761 1.00 61.44 ATOM 922 C LEU 58 -3.949 -28.318 27.039 1.00 51.14 ATOM 923 O LEU 58 -5.179 -28.326 26.966 1.00 43.34 ATOM 924 N LEU 59 -3.260 -29.226 27.720 1.00 23.10 ATOM 925 HN LEU 59 -2.277 -29.178 27.747 1.00 38.37 ATOM 926 CA LEU 59 -3.922 -30.309 28.438 1.00 33.41 ATOM 927 HA LEU 59 -4.980 -30.277 28.242 1.00 33.35 ATOM 928 CB LEU 59 -3.386 -31.663 27.968 1.00 3.50 ATOM 929 HB1 LEU 59 -3.710 -32.423 28.671 1.00 38.37 ATOM 930 HB2 LEU 59 -2.318 -31.618 27.994 1.00 22.44 ATOM 931 CG LEU 59 -3.817 -32.106 26.570 1.00 62.52 ATOM 932 HG LEU 59 -3.446 -31.396 25.845 1.00 3.42 ATOM 933 CD1 LEU 59 -3.228 -33.469 26.237 1.00 0.40 ATOM 934 HD11 LEU 59 -3.574 -34.202 26.953 1.00 2.14 ATOM 935 HD12 LEU 59 -2.150 -33.415 26.271 1.00 74.40 ATOM 936 HD13 LEU 59 -3.536 -33.765 25.244 1.00 43.20 ATOM 937 CD2 LEU 59 -5.335 -32.139 26.465 1.00 65.41 ATOM 938 HD21 LEU 59 -5.747 -32.743 27.263 1.00 72.33 ATOM 939 HD22 LEU 59 -5.625 -32.563 25.512 1.00 1.13 ATOM 940 HD23 LEU 59 -5.727 -31.137 26.532 1.00 40.01 ATOM 941 C LEU 59 -3.724 -30.166 29.944 1.00 61.03 ATOM 942 O LEU 59 -2.961 -30.904 30.567 1.00 23.01 ATOM 943 N PRO 60 -4.428 -29.195 30.544 1.00 73.02 ATOM 944 CA PRO 60 -4.349 -28.934 31.984 1.00 4.11 ATOM 945 HA PRO 60 -3.324 -28.783 32.299 1.00 12.53 ATOM 946 CB PRO 60 -5.127 -27.626 32.151 1.00 23.31 ATOM 947 HB1 PRO 60 -4.444 -26.793 32.113 1.00 38.37 ATOM 948 HB2 PRO 60 -5.657 -27.611 33.096 1.00 15.44 ATOM 949 CG PRO 60 -6.070 -27.597 30.998 1.00 1.13 ATOM 950 HG1 PRO 60 -6.299 -26.575 30.737 1.00 38.37 ATOM 951 HG2 PRO 60 -6.974 -28.133 31.249 1.00 60.20 ATOM 952 CD PRO 60 -5.357 -28.278 29.863 1.00 52.34 ATOM 953 HD1 PRO 60 -4.822 -27.543 29.290 1.00 38.37 ATOM 954 HD2 PRO 60 -6.063 -28.811 29.246 1.00 21.01 ATOM 955 C PRO 60 -4.989 -30.044 32.811 1.00 44.12 ATOM 956 O PRO 60 -6.181 -30.317 32.684 1.00 54.31 ATOM 957 N GLY 61 -4.187 -30.681 33.659 1.00 60.52 ATOM 958 HN GLY 61 -3.257 -30.421 33.736 1.00 38.37 ATOM 959 CA GLY 61 -4.694 -31.754 34.494 1.00 23.52 ATOM 960 HA1 GLY 61 -5.774 -31.814 34.432 1.00 38.37 ATOM 961 HA2 GLY 61 -4.426 -31.541 35.518 1.00 72.51 ATOM 962 C GLY 61 -4.112 -33.104 34.122 1.00 43.45 ATOM 963 O GLY 61 -4.668 -34.146 34.468 1.00 73.22 ATOM 964 N THR 62 -2.988 -33.086 33.411 1.00 1.14 ATOM 965 HN THR 62 -2.579 -32.237 33.149 1.00 38.37 ATOM 966 CA THR 62 -2.331 -34.317 32.989 1.00 55.43 ATOM 967 HA THR 62 -3.009 -35.150 33.151 1.00 41.32 ATOM 968 CB THR 62 -1.970 -34.275 31.492 1.00 50.11 ATOM 969 HB THR 62 -1.017 -33.776 31.364 1.00 35.53 ATOM 970 OG1 THR 62 -2.963 -33.540 30.768 1.00 34.03 ATOM 971 HG1 THR 62 -3.835 -33.946 30.866 1.00 32.34 ATOM 972 CG2 THR 62 -1.858 -35.681 30.923 1.00 23.30 ATOM 973 HG21 THR 62 -1.605 -35.624 29.875 1.00 23.15 ATOM 974 HG22 THR 62 -2.802 -36.195 31.036 1.00 33.53 ATOM 975 HG23 THR 62 -1.086 -36.225 31.449 1.00 33.41 ATOM 976 C THR 62 -1.065 -34.571 33.799 1.00 54.43 ATOM 977 O THR 62 -0.645 -35.716 33.968 1.00 51.40 ATOM 978 N ILE 63 -0.462 -33.497 34.297 1.00 13.24 ATOM 979 HN ILE 63 -0.825 -32.601 34.131 1.00 38.37 ATOM 980 CA ILE 63 0.755 -33.605 35.092 1.00 42.25 ATOM 981 HA ILE 63 1.264 -34.527 34.818 1.00 40.24 ATOM 982 CB ILE 63 1.719 -32.439 34.805 1.00 5.40 ATOM 983 HB ILE 63 1.292 -31.529 35.206 1.00 64.31 ATOM 984 CG1 ILE 63 1.913 -32.267 33.297 1.00 55.50 ATOM 985 HG11 ILE 63 2.537 -31.402 33.121 1.00 38.37 ATOM 986 HG12 ILE 63 0.959 -32.108 32.818 1.00 24.31 ATOM 987 CG2 ILE 63 3.056 -32.676 35.492 1.00 41.40 ATOM 988 HG21 ILE 63 3.775 -31.938 35.160 1.00 73.21 ATOM 989 HG22 ILE 63 3.426 -33.665 35.260 1.00 34.25 ATOM 990 HG23 ILE 63 2.932 -32.586 36.561 1.00 62.55 ATOM 991 CD1 ILE 63 2.578 -33.452 32.634 1.00 75.33 ATOM 992 HD11 ILE 63 2.800 -33.196 31.618 1.00 14.53 ATOM 993 HD12 ILE 63 1.912 -34.300 32.654 1.00 13.53 ATOM 994 HD13 ILE 63 3.497 -33.704 33.138 1.00 75.44 ATOM 995 C ILE 63 0.438 -33.633 36.583 1.00 42.11 ATOM 996 O ILE 63 0.006 -32.632 37.154 1.00 61.30 ATOM 997 N GLU 64 0.658 -34.786 37.207 1.00 12.35 ATOM 998 HN GLU 64 1.020 -35.552 36.701 1.00 38.37 ATOM 999 CA GLU 64 0.396 -34.943 38.633 1.00 21.13 ATOM 1000 HA GLU 64 -0.457 -34.330 38.900 1.00 42.42 ATOM 1001 CB GLU 64 0.063 -36.401 38.955 1.00 31.34 ATOM 1002 HB1 GLU 64 0.826 -37.035 38.527 1.00 38.37 ATOM 1003 HB2 GLU 64 -0.889 -36.643 38.501 1.00 44.04 ATOM 1004 CG GLU 64 -0.020 -36.692 40.444 1.00 24.34 ATOM 1005 HG1 GLU 64 -0.646 -35.946 40.917 1.00 38.37 ATOM 1006 HG2 GLU 64 0.972 -36.649 40.867 1.00 64.24 ATOM 1007 CD GLU 64 -0.595 -38.064 40.740 1.00 44.02 ATOM 1008 OE1 GLU 64 0.016 -39.067 40.314 1.00 2.31 ATOM 1009 OE2 GLU 64 -1.655 -38.135 41.396 1.00 44.11 ATOM 1010 C GLU 64 1.596 -34.490 39.460 1.00 40.40 ATOM 1011 O GLU 64 1.446 -33.792 40.463 1.00 13.30 ATOM 1012 N LYS 65 2.788 -34.892 39.032 1.00 52.11 ATOM 1013 HN LYS 65 2.852 -35.472 38.237 1.00 38.37 ATOM 1014 CA LYS 65 4.015 -34.528 39.730 1.00 0.11 ATOM 1015 HA LYS 65 3.827 -33.627 40.301 1.00 64.02 ATOM 1016 CB LYS 65 4.430 -35.644 40.691 1.00 35.15 ATOM 1017 HB1 LYS 65 4.495 -36.571 40.140 1.00 38.37 ATOM 1018 HB2 LYS 65 3.675 -35.744 41.457 1.00 55.34 ATOM 1019 CG LYS 65 5.767 -35.399 41.368 1.00 0.41 ATOM 1020 HG1 LYS 65 6.550 -35.391 40.625 1.00 38.37 ATOM 1021 HG2 LYS 65 5.946 -36.216 42.052 1.00 74.41 ATOM 1022 CD LYS 65 5.779 -34.077 42.118 1.00 55.24 ATOM 1023 HD1 LYS 65 4.768 -33.706 42.237 1.00 38.37 ATOM 1024 HD2 LYS 65 6.357 -33.363 41.552 1.00 2.12 ATOM 1025 CE LYS 65 6.405 -34.223 43.496 1.00 45.14 ATOM 1026 HE1 LYS 65 7.465 -34.035 43.415 1.00 38.37 ATOM 1027 HE2 LYS 65 6.247 -35.226 43.873 1.00 71.44 ATOM 1028 NZ LYS 65 5.823 -33.264 44.475 1.00 75.13 ATOM 1029 HZ1 LYS 65 5.980 -32.284 44.159 1.00 43.54 ATOM 1030 HZ2 LYS 65 6.272 -33.390 45.404 1.00 71.04 ATOM 1031 HZ3 LYS 65 4.799 -33.426 44.576 1.00 42.51 ATOM 1032 C LYS 65 5.142 -34.250 38.741 1.00 61.35 ATOM 1033 O LYS 65 5.413 -35.056 37.850 1.00 35.31 ATOM 1034 N VAL 66 5.798 -33.105 38.903 1.00 33.41 ATOM 1035 HN VAL 66 5.538 -32.489 39.627 1.00 38.37 ATOM 1036 CA VAL 66 6.898 -32.723 38.026 1.00 55.04 ATOM 1037 HA VAL 66 7.150 -33.566 37.389 1.00 15.33 ATOM 1038 CB VAL 66 6.509 -31.536 37.124 1.00 64.22 ATOM 1039 HB VAL 66 5.513 -31.709 36.741 1.00 1.31 ATOM 1040 CG1 VAL 66 6.493 -30.242 37.922 1.00 14.32 ATOM 1041 HG11 VAL 66 6.134 -30.423 38.928 1.00 12.34 ATOM 1042 HG12 VAL 66 5.831 -29.541 37.436 1.00 53.35 ATOM 1043 HG13 VAL 66 7.483 -29.816 37.962 1.00 43.25 ATOM 1044 CG2 VAL 66 7.462 -31.431 35.943 1.00 62.35 ATOM 1045 HG21 VAL 66 7.013 -30.813 35.187 1.00 54.41 ATOM 1046 HG22 VAL 66 7.659 -32.412 35.538 1.00 31.43 ATOM 1047 HG23 VAL 66 8.395 -30.982 36.255 1.00 3.21 ATOM 1048 C VAL 66 8.138 -32.352 38.830 1.00 44.53 ATOM 1049 O VAL 66 8.052 -32.048 40.020 1.00 70.31 ATOM 1050 N TYR 67 9.292 -32.377 38.172 1.00 41.22 ATOM 1051 HN TYR 67 9.317 -32.666 37.234 1.00 38.37 ATOM 1052 CA TYR 67 10.552 -32.044 38.826 1.00 62.53 ATOM 1053 HA TYR 67 10.396 -31.954 39.887 1.00 3.22 ATOM 1054 CB TYR 67 11.577 -33.157 38.599 1.00 4.12 ATOM 1055 HB1 TYR 67 12.518 -32.874 39.055 1.00 38.37 ATOM 1056 HB2 TYR 67 11.726 -33.283 37.534 1.00 55.24 ATOM 1057 CG TYR 67 11.166 -34.488 39.187 1.00 45.10 ATOM 1058 CD1 TYR 67 11.441 -35.677 38.524 1.00 62.34 ATOM 1059 HD1 TYR 67 11.953 -35.641 37.584 1.00 31.52 ATOM 1060 CD2 TYR 67 10.504 -34.556 40.407 1.00 42.04 ATOM 1061 HD2 TYR 67 10.282 -33.652 40.951 1.00 32.31 ATOM 1062 CE1 TYR 67 11.067 -36.895 39.057 1.00 72.53 ATOM 1063 HE1 TYR 67 11.292 -37.809 38.536 1.00 32.35 ATOM 1064 CE2 TYR 67 10.127 -35.770 40.948 1.00 3.20 ATOM 1065 HE2 TYR 67 9.612 -35.802 41.897 1.00 0.43 ATOM 1066 CZ TYR 67 10.410 -36.937 40.269 1.00 4.41 ATOM 1067 OH TYR 67 10.037 -38.148 40.804 1.00 20.21 ATOM 1068 HH TYR 67 9.084 -38.260 40.728 1.00 2.14 ATOM 1069 C TYR 67 11.101 -30.718 38.308 1.00 23.44 ATOM 1070 O TYR 67 11.964 -30.674 37.431 1.00 52.01 ATOM 1071 N PRO 68 10.590 -29.610 38.865 1.00 25.23 ATOM 1072 CA PRO 68 11.015 -28.262 38.478 1.00 51.33 ATOM 1073 HA PRO 68 10.938 -28.118 37.420 1.00 41.11 ATOM 1074 CB PRO 68 10.015 -27.354 39.199 1.00 61.21 ATOM 1075 HB1 PRO 68 9.194 -27.130 38.535 1.00 38.37 ATOM 1076 HB2 PRO 68 10.487 -26.430 39.512 1.00 44.11 ATOM 1077 CG PRO 68 9.552 -28.154 40.367 1.00 1.14 ATOM 1078 HG1 PRO 68 8.552 -27.854 40.644 1.00 38.37 ATOM 1079 HG2 PRO 68 10.229 -28.018 41.197 1.00 42.11 ATOM 1080 CD PRO 68 9.560 -29.588 39.917 1.00 74.44 ATOM 1081 HD1 PRO 68 8.605 -29.841 39.532 1.00 38.37 ATOM 1082 HD2 PRO 68 9.822 -30.229 40.743 1.00 44.32 ATOM 1083 C PRO 68 12.438 -27.950 38.928 1.00 60.01 ATOM 1084 O PRO 68 13.085 -27.050 38.392 1.00 35.44 ATOM 1085 N GLU 69 12.919 -28.700 39.915 1.00 44.25 ATOM 1086 HN GLU 69 12.355 -29.382 40.342 1.00 38.37 ATOM 1087 CA GLU 69 14.267 -28.502 40.436 1.00 53.20 ATOM 1088 HA GLU 69 14.843 -27.915 39.732 1.00 12.31 ATOM 1089 CB GLU 69 14.218 -27.730 41.756 1.00 2.03 ATOM 1090 HB1 GLU 69 13.948 -26.706 41.543 1.00 38.37 ATOM 1091 HB2 GLU 69 15.195 -27.740 42.212 1.00 5.20 ATOM 1092 CG GLU 69 13.210 -28.284 42.749 1.00 60.33 ATOM 1093 HG1 GLU 69 13.398 -29.333 42.906 1.00 38.37 ATOM 1094 HG2 GLU 69 12.218 -28.157 42.342 1.00 42.25 ATOM 1095 CD GLU 69 13.265 -27.581 44.091 1.00 51.42 ATOM 1096 OE1 GLU 69 12.506 -27.978 45.000 1.00 65.31 ATOM 1097 OE2 GLU 69 14.065 -26.633 44.232 1.00 4.20 ATOM 1098 C GLU 69 14.972 -29.839 40.642 1.00 65.14 ATOM 1099 O GLU 69 15.171 -30.298 41.766 1.00 24.25 ATOM 1100 N PRO 70 15.360 -30.480 39.529 1.00 30.30 ATOM 1101 CA PRO 70 16.049 -31.774 39.560 1.00 3.42 ATOM 1102 HA PRO 70 15.491 -32.502 40.135 1.00 41.31 ATOM 1103 CB PRO 70 16.075 -32.197 38.089 1.00 23.25 ATOM 1104 HB1 PRO 70 15.219 -32.823 37.883 1.00 38.37 ATOM 1105 HB2 PRO 70 16.977 -32.744 37.876 1.00 43.24 ATOM 1106 CG PRO 70 15.999 -30.920 37.326 1.00 24.20 ATOM 1107 HG1 PRO 70 15.534 -31.092 36.367 1.00 38.37 ATOM 1108 HG2 PRO 70 16.990 -30.511 37.195 1.00 35.03 ATOM 1109 CD PRO 70 15.156 -29.992 38.155 1.00 54.20 ATOM 1110 HD1 PRO 70 14.126 -30.062 37.869 1.00 38.37 ATOM 1111 HD2 PRO 70 15.511 -28.979 38.044 1.00 33.00 ATOM 1112 C PRO 70 17.468 -31.661 40.107 1.00 22.33 ATOM 1113 O PRO 70 18.158 -30.669 39.871 1.00 71.31 ATOM 1114 N ARG 71 17.898 -32.684 40.839 1.00 61.11 ATOM 1115 HN ARG 71 17.292 -33.437 41.024 1.00 38.37 ATOM 1116 CA ARG 71 19.235 -32.699 41.420 1.00 21.21 ATOM 1117 HA ARG 71 19.739 -31.774 41.184 1.00 42.43 ATOM 1118 CB ARG 71 19.152 -32.854 42.940 1.00 60.43 ATOM 1119 HB1 ARG 71 20.128 -33.119 43.332 1.00 38.37 ATOM 1120 HB2 ARG 71 18.459 -33.650 43.171 1.00 1.44 ATOM 1121 CG ARG 71 18.683 -31.598 43.656 1.00 62.25 ATOM 1122 HG1 ARG 71 18.598 -31.810 44.712 1.00 38.37 ATOM 1123 HG2 ARG 71 17.718 -31.310 43.266 1.00 2.21 ATOM 1124 CD ARG 71 19.658 -30.448 43.458 1.00 51.21 ATOM 1125 HD1 ARG 71 19.552 -30.056 42.458 1.00 38.37 ATOM 1126 HD2 ARG 71 20.668 -30.821 43.584 1.00 55.55 ATOM 1127 NE ARG 71 19.449 -29.380 44.432 1.00 20.01 ATOM 1128 HE ARG 71 20.049 -29.356 45.210 1.00 70.42 ATOM 1129 CZ ARG 71 18.503 -28.455 44.317 1.00 41.44 ATOM 1130 NH1 ARG 71 17.683 -28.466 43.275 1.00 60.51 ATOM 1131 HH11 ARG 71 17.746 -29.160 42.563 1.00 40.15 ATOM 1132 HH12 ARG 71 16.987 -27.754 43.196 1.00 73.20 ATOM 1133 NH2 ARG 71 18.376 -27.515 45.245 1.00 53.12 ATOM 1134 HH21 ARG 71 18.993 -27.500 46.035 1.00 50.14 ATOM 1135 HH22 ARG 71 17.663 -26.816 45.160 1.00 52.00 ATOM 1136 C ARG 71 20.073 -33.829 40.828 1.00 53.33 ATOM 1137 O ARG 71 21.302 -33.788 40.865 1.00 64.30 ATOM 1138 N SER 72 19.398 -34.836 40.282 1.00 11.51 ATOM 1139 HN SER 72 18.421 -34.845 40.285 1.00 38.37 ATOM 1140 CA SER 72 20.080 -35.978 39.686 1.00 75.43 ATOM 1141 HA SER 72 21.151 -35.823 39.729 1.00 75.03 ATOM 1142 CB SER 72 19.748 -37.257 40.458 1.00 53.22 ATOM 1143 HB1 SER 72 20.574 -37.948 40.373 1.00 38.37 ATOM 1144 HB2 SER 72 18.852 -37.717 40.057 1.00 24.23 ATOM 1145 OG SER 72 19.530 -36.981 41.831 1.00 60.53 ATOM 1146 HG SER 72 18.629 -36.672 41.960 1.00 70.25 ATOM 1147 C SER 72 19.688 -36.140 38.220 1.00 43.11 ATOM 1148 O SER 72 18.935 -35.334 37.676 1.00 51.43 ATOM 1149 N GLU 73 20.207 -37.188 37.588 1.00 74.23 ATOM 1150 HN GLU 73 20.809 -37.802 38.073 1.00 38.37 ATOM 1151 CA GLU 73 19.912 -37.455 36.185 1.00 64.33 ATOM 1152 HA GLU 73 19.878 -36.506 35.660 1.00 34.11 ATOM 1153 CB GLU 73 21.009 -38.326 35.567 1.00 32.04 ATOM 1154 HB1 GLU 73 20.831 -39.363 35.830 1.00 38.37 ATOM 1155 HB2 GLU 73 21.963 -38.025 35.982 1.00 51.31 ATOM 1156 CG GLU 73 21.105 -38.203 34.056 1.00 2.11 ATOM 1157 HG1 GLU 73 21.813 -37.423 33.829 1.00 38.37 ATOM 1158 HG2 GLU 73 20.137 -37.943 33.647 1.00 21.14 ATOM 1159 CD GLU 73 21.573 -39.485 33.395 1.00 54.11 ATOM 1160 OE1 GLU 73 22.276 -40.274 34.060 1.00 42.34 ATOM 1161 OE2 GLU 73 21.234 -39.699 32.212 1.00 71.20 ATOM 1162 C GLU 73 18.558 -38.141 36.034 1.00 73.50 ATOM 1163 O GLU 73 17.762 -37.784 35.165 1.00 21.23 ATOM 1164 N SER 74 18.303 -39.129 36.886 1.00 23.32 ATOM 1165 HN SER 74 18.984 -39.381 37.554 1.00 38.37 ATOM 1166 CA SER 74 17.047 -39.869 36.846 1.00 63.22 ATOM 1167 HA SER 74 17.021 -40.432 35.924 1.00 72.54 ATOM 1168 CB SER 74 16.966 -40.842 38.023 1.00 22.44 ATOM 1169 HB1 SER 74 16.017 -41.361 38.002 1.00 38.37 ATOM 1170 HB2 SER 74 17.055 -40.294 38.949 1.00 3.32 ATOM 1171 OG SER 74 18.006 -41.803 37.964 1.00 61.24 ATOM 1172 HG SER 74 18.040 -42.289 38.791 1.00 70.04 ATOM 1173 C SER 74 15.855 -38.918 36.875 1.00 41.33 ATOM 1174 O SER 74 14.884 -39.101 36.142 1.00 33.21 ATOM 1175 N GLU 75 15.938 -37.901 37.727 1.00 40.31 ATOM 1176 HN GLU 75 16.740 -37.804 38.293 1.00 38.37 ATOM 1177 CA GLU 75 14.866 -36.921 37.852 1.00 13.43 ATOM 1178 HA GLU 75 13.923 -37.453 37.919 1.00 2.24 ATOM 1179 CB GLU 75 15.056 -36.083 39.118 1.00 10.33 ATOM 1180 HB1 GLU 75 14.480 -35.171 39.022 1.00 38.37 ATOM 1181 HB2 GLU 75 16.103 -35.820 39.203 1.00 33.11 ATOM 1182 CG GLU 75 14.646 -36.803 40.392 1.00 2.31 ATOM 1183 HG1 GLU 75 15.525 -36.945 41.004 1.00 38.37 ATOM 1184 HG2 GLU 75 14.222 -37.769 40.151 1.00 54.22 ATOM 1185 CD GLU 75 13.624 -36.025 41.199 1.00 61.44 ATOM 1186 OE1 GLU 75 12.801 -36.665 41.886 1.00 75.33 ATOM 1187 OE2 GLU 75 13.647 -34.778 41.143 1.00 63.34 ATOM 1188 C GLU 75 14.816 -36.010 36.629 1.00 15.30 ATOM 1189 O GLU 75 13.739 -35.688 36.125 1.00 13.13 ATOM 1190 N CYS 76 15.987 -35.598 36.157 1.00 11.44 ATOM 1191 HN CYS 76 16.817 -35.875 36.612 1.00 38.37 ATOM 1192 CA CYS 76 16.078 -34.722 34.994 1.00 33.41 ATOM 1193 HA CYS 76 15.577 -33.794 35.237 1.00 32.13 ATOM 1194 CB CYS 76 17.542 -34.444 34.652 1.00 22.50 ATOM 1195 HB1 CYS 76 17.664 -34.373 33.577 1.00 38.37 ATOM 1196 HB2 CYS 76 18.161 -35.251 35.017 1.00 61.40 ATOM 1197 SG CYS 76 18.186 -32.908 35.355 1.00 32.02 ATOM 1198 HG CYS 76 18.182 -31.988 34.401 1.00 14.32 ATOM 1199 C CYS 76 15.371 -35.340 33.792 1.00 35.33 ATOM 1200 O CYS 76 14.684 -34.649 33.039 1.00 11.41 ATOM 1201 N LEU 77 15.544 -36.646 33.617 1.00 11.35 ATOM 1202 HN LEU 77 16.108 -37.152 34.249 1.00 38.37 ATOM 1203 CA LEU 77 14.924 -37.358 32.506 1.00 55.24 ATOM 1204 HA LEU 77 15.051 -36.767 31.606 1.00 45.44 ATOM 1205 CB LEU 77 15.602 -38.713 32.301 1.00 73.54 ATOM 1206 HB1 LEU 77 15.001 -39.305 31.617 1.00 38.37 ATOM 1207 HB2 LEU 77 15.606 -39.216 33.260 1.00 61.13 ATOM 1208 CG LEU 77 17.035 -38.673 31.769 1.00 30.52 ATOM 1209 HG LEU 77 17.588 -37.903 32.289 1.00 31.13 ATOM 1210 CD1 LEU 77 17.736 -39.999 32.023 1.00 33.05 ATOM 1211 HD11 LEU 77 17.214 -40.793 31.507 1.00 34.44 ATOM 1212 HD12 LEU 77 17.745 -40.206 33.084 1.00 21.24 ATOM 1213 HD13 LEU 77 18.754 -39.946 31.663 1.00 3.21 ATOM 1214 CD2 LEU 77 17.044 -38.339 30.285 1.00 63.33 ATOM 1215 HD21 LEU 77 18.059 -38.358 29.920 1.00 12.25 ATOM 1216 HD22 LEU 77 16.626 -37.355 30.134 1.00 22.40 ATOM 1217 HD23 LEU 77 16.456 -39.067 29.743 1.00 22.14 ATOM 1218 C LEU 77 13.431 -37.555 32.750 1.00 11.12 ATOM 1219 O LEU 77 12.637 -37.586 31.810 1.00 15.24 ATOM 1220 N SER 78 13.057 -37.686 34.019 1.00 55.31 ATOM 1221 HN SER 78 13.737 -37.681 34.729 1.00 38.37 ATOM 1222 CA SER 78 11.659 -37.881 34.387 1.00 23.23 ATOM 1223 HA SER 78 11.347 -38.843 34.006 1.00 51.02 ATOM 1224 CB SER 78 11.505 -37.873 35.909 1.00 1.33 ATOM 1225 HB1 SER 78 11.167 -36.906 36.230 1.00 38.37 ATOM 1226 HB2 SER 78 12.450 -38.096 36.383 1.00 3.52 ATOM 1227 OG SER 78 10.555 -38.836 36.331 1.00 12.51 ATOM 1228 HG SER 78 10.962 -39.706 36.349 1.00 23.43 ATOM 1229 C SER 78 10.778 -36.800 33.769 1.00 1.35 ATOM 1230 O SER 78 9.691 -37.081 33.267 1.00 20.44 ATOM 1231 N ASN 79 11.257 -35.560 33.811 1.00 35.40 ATOM 1232 HN ASN 79 12.128 -35.389 34.242 1.00 38.37 ATOM 1233 CA ASN 79 10.513 -34.435 33.256 1.00 30.12 ATOM 1234 HA ASN 79 9.621 -34.299 33.852 1.00 31.33 ATOM 1235 CB ASN 79 11.361 -33.163 33.304 1.00 4.25 ATOM 1236 HB1 ASN 79 10.945 -32.449 32.626 1.00 38.37 ATOM 1237 HB2 ASN 79 12.369 -33.398 33.009 1.00 73.43 ATOM 1238 CG ASN 79 11.378 -32.531 34.683 1.00 54.31 ATOM 1239 OD1 ASN 79 10.410 -32.635 35.437 1.00 3.02 ATOM 1240 ND2 ASN 79 12.480 -31.870 35.018 1.00 71.13 ATOM 1241 HD21 ASN 79 13.222 -31.818 34.374 1.00 31.10 ATOM 1242 HD22 ASN 79 12.512 -31.457 35.904 1.00 34.33 ATOM 1243 C ASN 79 10.086 -34.721 31.820 1.00 52.43 ATOM 1244 O ASN 79 8.915 -34.571 31.468 1.00 21.03 ATOM 1245 N ILE 80 11.042 -35.133 30.995 1.00 43.44 ATOM 1246 HN ILE 80 11.956 -35.256 31.344 1.00 38.37 ATOM 1247 CA ILE 80 10.765 -35.441 29.597 1.00 12.32 ATOM 1248 HA ILE 80 10.318 -34.565 29.140 1.00 32.51 ATOM 1249 CB ILE 80 12.055 -35.781 28.829 1.00 63.52 ATOM 1250 HB ILE 80 12.499 -36.656 29.287 1.00 21.51 ATOM 1251 CG1 ILE 80 13.044 -34.616 28.906 1.00 33.12 ATOM 1252 HG11 ILE 80 13.083 -34.224 29.912 1.00 38.37 ATOM 1253 HG12 ILE 80 12.729 -33.825 28.239 1.00 14.12 ATOM 1254 CG2 ILE 80 11.736 -36.117 27.380 1.00 51.24 ATOM 1255 HG21 ILE 80 11.308 -37.091 27.342 1.00 74.43 ATOM 1256 HG22 ILE 80 12.635 -36.114 26.786 1.00 63.41 ATOM 1257 HG23 ILE 80 11.037 -35.399 26.973 1.00 54.15 ATOM 1258 CD1 ILE 80 14.458 -34.997 28.528 1.00 30.14 ATOM 1259 HD11 ILE 80 15.053 -34.102 28.422 1.00 44.30 ATOM 1260 HD12 ILE 80 14.465 -35.543 27.599 1.00 35.13 ATOM 1261 HD13 ILE 80 14.881 -35.613 29.307 1.00 35.44 ATOM 1262 C ILE 80 9.790 -36.607 29.475 1.00 64.24 ATOM 1263 O ILE 80 8.899 -36.598 28.625 1.00 20.04 ATOM 1264 N ARG 81 9.965 -37.610 30.329 1.00 5.33 ATOM 1265 HN ARG 81 10.705 -37.569 30.980 1.00 38.37 ATOM 1266 CA ARG 81 9.101 -38.784 30.317 1.00 2.23 ATOM 1267 HA ARG 81 9.185 -39.248 29.347 1.00 45.01 ATOM 1268 CB ARG 81 9.543 -39.779 31.392 1.00 73.45 ATOM 1269 HB1 ARG 81 9.046 -39.549 32.327 1.00 38.37 ATOM 1270 HB2 ARG 81 10.612 -39.683 31.546 1.00 53.42 ATOM 1271 CG ARG 81 9.238 -41.227 31.042 1.00 33.05 ATOM 1272 HG1 ARG 81 8.239 -41.297 30.643 1.00 38.37 ATOM 1273 HG2 ARG 81 9.302 -41.817 31.945 1.00 5.42 ATOM 1274 CD ARG 81 10.233 -41.779 30.034 1.00 43.51 ATOM 1275 HD1 ARG 81 11.221 -41.745 30.473 1.00 38.37 ATOM 1276 HD2 ARG 81 10.221 -41.164 29.144 1.00 73.04 ATOM 1277 NE ARG 81 9.934 -43.161 29.670 1.00 45.24 ATOM 1278 HE ARG 81 10.536 -43.858 30.013 1.00 41.11 ATOM 1279 CZ ARG 81 8.904 -43.514 28.910 1.00 72.22 ATOM 1280 NH1 ARG 81 8.078 -42.591 28.436 1.00 31.42 ATOM 1281 HH11 ARG 81 8.206 -41.623 28.621 1.00 63.03 ATOM 1282 HH12 ARG 81 7.299 -42.874 27.873 1.00 22.13 ATOM 1283 NH2 ARG 81 8.698 -44.793 28.622 1.00 72.01 ATOM 1284 HH21 ARG 81 9.318 -45.495 28.977 1.00 64.50 ATOM 1285 HH22 ARG 81 7.921 -45.062 28.049 1.00 10.13 ATOM 1286 C ARG 81 7.645 -38.389 30.542 1.00 14.14 ATOM 1287 O ARG 81 6.745 -38.894 29.872 1.00 15.23 ATOM 1288 N GLU 82 7.422 -37.484 31.490 1.00 12.23 ATOM 1289 HN GLU 82 8.183 -37.124 32.005 1.00 38.37 ATOM 1290 CA GLU 82 6.074 -37.023 31.804 1.00 64.00 ATOM 1291 HA GLU 82 5.487 -37.884 32.101 1.00 10.22 ATOM 1292 CB GLU 82 6.112 -36.011 32.951 1.00 54.10 ATOM 1293 HB1 GLU 82 5.359 -35.252 32.784 1.00 38.37 ATOM 1294 HB2 GLU 82 7.082 -35.536 32.985 1.00 12.24 ATOM 1295 CG GLU 82 5.833 -36.624 34.313 1.00 70.10 ATOM 1296 HG1 GLU 82 4.867 -37.107 34.286 1.00 38.37 ATOM 1297 HG2 GLU 82 5.818 -35.835 35.051 1.00 50.01 ATOM 1298 CD GLU 82 6.876 -37.648 34.716 1.00 3.24 ATOM 1299 OE1 GLU 82 7.650 -37.367 35.656 1.00 51.11 ATOM 1300 OE2 GLU 82 6.920 -38.729 34.093 1.00 13.12 ATOM 1301 C GLU 82 5.415 -36.396 30.579 1.00 11.00 ATOM 1302 O GLU 82 4.282 -36.729 30.231 1.00 14.15 ATOM 1303 N PHE 83 6.132 -35.486 29.929 1.00 44.21 ATOM 1304 HN PHE 83 7.034 -35.257 30.258 1.00 38.37 ATOM 1305 CA PHE 83 5.617 -34.810 28.744 1.00 65.24 ATOM 1306 HA PHE 83 4.729 -34.262 29.029 1.00 62.51 ATOM 1307 CB PHE 83 6.654 -33.823 28.202 1.00 32.24 ATOM 1308 HB1 PHE 83 7.603 -34.334 28.096 1.00 38.37 ATOM 1309 HB2 PHE 83 6.769 -33.022 28.919 1.00 42.31 ATOM 1310 CG PHE 83 6.278 -33.226 26.877 1.00 72.04 ATOM 1311 CD1 PHE 83 6.764 -33.765 25.696 1.00 1.33 ATOM 1312 HD1 PHE 83 7.420 -34.624 25.731 1.00 32.31 ATOM 1313 CD2 PHE 83 5.438 -32.126 26.811 1.00 44.44 ATOM 1314 HD2 PHE 83 5.045 -31.703 27.720 1.00 5.21 ATOM 1315 CE1 PHE 83 6.420 -33.218 24.474 1.00 13.24 ATOM 1316 HE1 PHE 83 6.806 -33.647 23.561 1.00 34.32 ATOM 1317 CE2 PHE 83 5.090 -31.575 25.592 1.00 42.22 ATOM 1318 HE2 PHE 83 4.440 -30.717 25.561 1.00 54.13 ATOM 1319 CZ PHE 83 5.582 -32.121 24.422 1.00 5.34 ATOM 1320 HZ PHE 83 5.325 -31.697 23.469 1.00 74.41 ATOM 1321 C PHE 83 5.246 -35.819 27.661 1.00 74.21 ATOM 1322 O PHE 83 4.293 -35.616 26.907 1.00 14.34 ATOM 1323 N LEU 84 6.004 -36.907 27.589 1.00 25.10 ATOM 1324 HN LEU 84 6.759 -37.021 28.213 1.00 38.37 ATOM 1325 CA LEU 84 5.756 -37.949 26.598 1.00 3.15 ATOM 1326 HA LEU 84 5.466 -37.478 25.666 1.00 34.21 ATOM 1327 CB LEU 84 7.029 -38.762 26.355 1.00 72.01 ATOM 1328 HB1 LEU 84 6.823 -39.496 25.584 1.00 38.37 ATOM 1329 HB2 LEU 84 7.250 -39.298 27.274 1.00 71.22 ATOM 1330 CG LEU 84 8.270 -37.963 25.955 1.00 74.04 ATOM 1331 HG LEU 84 8.261 -37.004 26.445 1.00 72.43 ATOM 1332 CD1 LEU 84 9.534 -38.691 26.382 1.00 63.41 ATOM 1333 HD11 LEU 84 9.476 -39.733 26.094 1.00 60.12 ATOM 1334 HD12 LEU 84 9.646 -38.621 27.447 1.00 33.34 ATOM 1335 HD13 LEU 84 10.394 -38.243 25.905 1.00 32.42 ATOM 1336 CD2 LEU 84 8.279 -37.709 24.454 1.00 22.02 ATOM 1337 HD21 LEU 84 8.278 -38.649 23.943 1.00 65.44 ATOM 1338 HD22 LEU 84 9.165 -37.165 24.198 1.00 14.24 ATOM 1339 HD23 LEU 84 7.406 -37.138 24.171 1.00 24.24 ATOM 1340 C LEU 84 4.628 -38.871 27.049 1.00 23.44 ATOM 1341 O LEU 84 3.944 -39.480 26.226 1.00 24.24 ATOM 1342 N ARG 85 4.439 -38.968 28.361 1.00 35.02 ATOM 1343 HN ARG 85 5.029 -38.486 28.975 1.00 38.37 ATOM 1344 CA ARG 85 3.393 -39.815 28.922 1.00 74.25 ATOM 1345 HA ARG 85 3.423 -40.769 28.406 1.00 44.12 ATOM 1346 CB ARG 85 3.637 -40.044 30.414 1.00 12.54 ATOM 1347 HB1 ARG 85 3.183 -39.247 30.993 1.00 38.37 ATOM 1348 HB2 ARG 85 4.703 -40.027 30.594 1.00 41.53 ATOM 1349 CG ARG 85 3.120 -41.381 30.919 1.00 52.05 ATOM 1350 HG1 ARG 85 3.674 -41.652 31.806 1.00 38.37 ATOM 1351 HG2 ARG 85 3.265 -42.139 30.161 1.00 30.23 ATOM 1352 CD ARG 85 1.642 -41.310 31.271 1.00 3.11 ATOM 1353 HD1 ARG 85 1.296 -42.316 31.464 1.00 38.37 ATOM 1354 HD2 ARG 85 1.084 -40.904 30.452 1.00 21.44 ATOM 1355 NE ARG 85 1.403 -40.503 32.465 1.00 74.51 ATOM 1356 HE ARG 85 2.174 -40.048 32.878 1.00 5.45 ATOM 1357 CZ ARG 85 0.206 -40.350 33.020 1.00 55.11 ATOM 1358 NH1 ARG 85 -0.855 -40.945 32.492 1.00 60.22 ATOM 1359 HH11 ARG 85 -0.778 -41.515 31.675 1.00 1.32 ATOM 1360 HH12 ARG 85 -1.754 -40.824 32.918 1.00 11.14 ATOM 1361 NH2 ARG 85 0.068 -39.600 34.106 1.00 54.02 ATOM 1362 HH21 ARG 85 0.865 -39.147 34.510 1.00 51.11 ATOM 1363 HH22 ARG 85 -0.834 -39.483 34.527 1.00 54.14 ATOM 1364 C ARG 85 2.016 -39.192 28.710 1.00 42.41 ATOM 1365 O ARG 85 1.064 -39.876 28.337 1.00 42.45 ATOM 1366 N GLY 86 1.919 -37.888 28.952 1.00 42.30 ATOM 1367 HN GLY 86 2.703 -37.381 29.259 1.00 38.37 ATOM 1368 CA GLY 86 0.656 -37.194 28.783 1.00 13.12 ATOM 1369 HA1 GLY 86 0.723 -36.235 29.255 1.00 38.37 ATOM 1370 HA2 GLY 86 -0.131 -37.757 29.268 1.00 73.04 ATOM 1371 C GLY 86 0.291 -37.000 27.325 1.00 60.02 ATOM 1372 O GLY 86 -0.808 -37.360 26.900 1.00 45.34 ATOM 1373 N CYS 87 1.213 -36.429 26.557 1.00 34.11 ATOM 1374 HN CYS 87 2.075 -36.160 26.957 1.00 38.37 ATOM 1375 CA CYS 87 0.981 -36.185 25.138 1.00 64.53 ATOM 1376 HA CYS 87 0.184 -35.458 25.049 1.00 13.30 ATOM 1377 CB CYS 87 2.247 -35.631 24.481 1.00 14.15 ATOM 1378 HB1 CYS 87 2.158 -35.692 23.405 1.00 38.37 ATOM 1379 HB2 CYS 87 3.095 -36.220 24.797 1.00 62.25 ATOM 1380 SG CYS 87 2.599 -33.907 24.897 1.00 10.15 ATOM 1381 HG CYS 87 1.481 -33.213 24.742 1.00 10.11 ATOM 1382 C CYS 87 0.546 -37.465 24.430 1.00 12.44 ATOM 1383 O CYS 87 -0.314 -37.438 23.551 1.00 40.11 ATOM 1384 N GLY 88 1.147 -38.585 24.820 1.00 2.32 ATOM 1385 HN GLY 88 1.840 -38.562 25.516 1.00 38.37 ATOM 1386 CA GLY 88 0.810 -39.858 24.212 1.00 73.31 ATOM 1387 HA1 GLY 88 1.668 -40.510 24.292 1.00 38.37 ATOM 1388 HA2 GLY 88 0.589 -39.715 23.166 1.00 22.44 ATOM 1389 C GLY 88 -0.367 -40.531 24.891 1.00 65.42 ATOM 1390 O GLY 88 -0.910 -41.510 24.379 1.00 11.15 ATOM 1391 N ALA 89 -0.760 -40.007 26.047 1.00 24.31 ATOM 1392 HN ALA 89 -0.288 -39.247 26.419 1.00 38.37 ATOM 1393 CA ALA 89 -1.879 -40.564 26.797 1.00 40.32 ATOM 1394 HA ALA 89 -1.792 -41.645 26.794 1.00 34.34 ATOM 1395 CB ALA 89 -1.827 -40.099 28.245 1.00 75.03 ATOM 1396 HB1 ALA 89 -1.068 -40.653 28.770 1.00 20.22 ATOM 1397 HB2 ALA 89 -2.781 -40.277 28.726 1.00 4.20 ATOM 1398 HB3 ALA 89 -1.601 -39.050 28.288 1.00 55.43 ATOM 1399 C ALA 89 -3.211 -40.178 26.162 1.00 2.43 ATOM 1400 O ALA 89 -4.003 -41.041 25.785 1.00 41.00 ATOM 1401 N SER 90 -3.451 -38.875 26.049 1.00 74.34 ATOM 1402 HN SER 90 -2.771 -38.228 26.353 1.00 38.37 ATOM 1403 CA SER 90 -4.690 -38.375 25.464 1.00 61.02 ATOM 1404 HA SER 90 -5.471 -39.113 25.607 1.00 71.23 ATOM 1405 CB SER 90 -5.120 -37.081 26.157 1.00 31.15 ATOM 1406 HB1 SER 90 -4.286 -36.396 26.189 1.00 38.37 ATOM 1407 HB2 SER 90 -5.440 -37.304 27.164 1.00 61.14 ATOM 1408 OG SER 90 -6.192 -36.464 25.466 1.00 12.03 ATOM 1409 HG SER 90 -6.314 -35.571 25.796 1.00 65.42 ATOM 1410 C SER 90 -4.524 -38.132 23.967 1.00 74.03 ATOM 1411 O SER 90 -5.168 -38.785 23.145 1.00 74.53 ATOM 1412 N LEU 91 -3.657 -37.188 23.620 1.00 50.35 ATOM 1413 HN LEU 91 -3.162 -36.705 24.324 1.00 38.37 ATOM 1414 CA LEU 91 -3.405 -36.857 22.221 1.00 12.32 ATOM 1415 HA LEU 91 -4.342 -36.545 21.777 1.00 55.03 ATOM 1416 CB LEU 91 -2.393 -35.714 22.121 1.00 14.24 ATOM 1417 HB1 LEU 91 -1.764 -35.884 21.258 1.00 38.37 ATOM 1418 HB2 LEU 91 -1.764 -35.748 22.998 1.00 41.54 ATOM 1419 CG LEU 91 -2.980 -34.306 22.015 1.00 2.41 ATOM 1420 HG LEU 91 -3.857 -34.233 22.644 1.00 73.53 ATOM 1421 CD1 LEU 91 -1.976 -33.271 22.501 1.00 33.51 ATOM 1422 HD11 LEU 91 -1.154 -33.195 21.811 1.00 73.42 ATOM 1423 HD12 LEU 91 -1.602 -33.551 23.477 1.00 21.41 ATOM 1424 HD13 LEU 91 -2.466 -32.311 22.574 1.00 14.01 ATOM 1425 CD2 LEU 91 -3.402 -34.010 20.583 1.00 23.32 ATOM 1426 HD21 LEU 91 -2.567 -34.179 19.923 1.00 12.14 ATOM 1427 HD22 LEU 91 -3.730 -32.982 20.498 1.00 63.23 ATOM 1428 HD23 LEU 91 -4.213 -34.667 20.307 1.00 2.04 ATOM 1429 C LEU 91 -2.892 -38.073 21.457 1.00 33.35 ATOM 1430 O LEU 91 -3.166 -38.232 20.268 1.00 70.42 ATOM 1431 N ARG 92 -2.149 -38.930 22.150 1.00 21.10 ATOM 1432 HN ARG 92 -1.939 -38.757 23.093 1.00 38.37 ATOM 1433 CA ARG 92 -1.599 -40.133 21.537 1.00 23.13 ATOM 1434 HA ARG 92 -0.960 -40.613 22.244 1.00 15.32 ATOM 1435 CB ARG 92 -2.724 -41.095 21.152 1.00 21.54 ATOM 1436 HB1 ARG 92 -2.311 -41.912 20.574 1.00 38.37 ATOM 1437 HB2 ARG 92 -3.445 -40.573 20.543 1.00 34.10 ATOM 1438 CG ARG 92 -3.442 -41.702 22.347 1.00 64.21 ATOM 1439 HG1 ARG 92 -3.721 -40.913 23.033 1.00 38.37 ATOM 1440 HG2 ARG 92 -2.775 -42.392 22.842 1.00 64.14 ATOM 1441 CD ARG 92 -4.697 -42.449 21.923 1.00 44.15 ATOM 1442 HD1 ARG 92 -4.491 -43.042 21.040 1.00 38.37 ATOM 1443 HD2 ARG 92 -5.459 -41.720 21.686 1.00 64.34 ATOM 1444 NE ARG 92 -5.203 -43.316 22.983 1.00 2.22 ATOM 1445 HE ARG 92 -5.978 -42.996 23.495 1.00 4.44 ATOM 1446 CZ ARG 92 -4.674 -44.497 23.282 1.00 73.55 ATOM 1447 NH1 ARG 92 -3.629 -44.950 22.603 1.00 71.31 ATOM 1448 HH11 ARG 92 -3.217 -44.424 21.864 1.00 30.12 ATOM 1449 HH12 ARG 92 -3.240 -45.844 22.836 1.00 13.13 ATOM 1450 NH2 ARG 92 -5.191 -45.229 24.261 1.00 51.42 ATOM 1451 HH21 ARG 92 -5.982 -44.893 24.777 1.00 62.42 ATOM 1452 HH22 ARG 92 -4.793 -46.121 24.488 1.00 1.44 ATOM 1453 C ARG 92 -0.769 -39.785 20.305 1.00 51.21 ATOM 1454 O ARG 92 -0.656 -40.583 19.373 1.00 12.24 ATOM 1455 N LEU 93 -0.191 -38.589 20.306 1.00 1.12 ATOM 1456 HN LEU 93 -0.286 -38.012 21.089 1.00 38.37 ATOM 1457 CA LEU 93 0.629 -38.134 19.188 1.00 15.03 ATOM 1458 HA LEU 93 0.100 -38.345 18.267 1.00 61.13 ATOM 1459 CB LEU 93 0.861 -36.625 19.282 1.00 51.15 ATOM 1460 HB1 LEU 93 -0.106 -36.159 19.144 1.00 38.37 ATOM 1461 HB2 LEU 93 1.490 -36.311 18.458 1.00 63.24 ATOM 1462 CG LEU 93 1.454 -36.117 20.596 1.00 32.13 ATOM 1463 HG LEU 93 1.208 -36.786 21.405 1.00 40.03 ATOM 1464 CD1 LEU 93 2.971 -36.059 20.510 1.00 21.14 ATOM 1465 HD11 LEU 93 3.360 -37.055 20.608 1.00 4.02 ATOM 1466 HD12 LEU 93 3.365 -35.451 21.316 1.00 51.45 ATOM 1467 HD13 LEU 93 3.281 -35.639 19.562 1.00 0.25 ATOM 1468 CD2 LEU 93 0.885 -34.749 20.945 1.00 71.41 ATOM 1469 HD21 LEU 93 1.168 -34.483 21.950 1.00 10.33 ATOM 1470 HD22 LEU 93 -0.183 -34.767 20.867 1.00 1.04 ATOM 1471 HD23 LEU 93 1.273 -34.012 20.259 1.00 73.04 ATOM 1472 C LEU 93 1.967 -38.865 19.161 1.00 32.30 ATOM 1473 O LEU 93 2.238 -39.714 20.009 1.00 32.43 ATOM 1474 N GLU 94 2.800 -38.528 18.182 1.00 41.32 ATOM 1475 HN GLU 94 2.527 -37.845 17.526 1.00 38.37 ATOM 1476 CA GLU 94 4.111 -39.152 18.046 1.00 51.12 ATOM 1477 HA GLU 94 3.981 -40.226 18.132 1.00 33.10 ATOM 1478 CB GLU 94 4.705 -38.848 16.669 1.00 51.11 ATOM 1479 HB1 GLU 94 5.620 -39.417 16.557 1.00 38.37 ATOM 1480 HB2 GLU 94 4.937 -37.792 16.608 1.00 12.25 ATOM 1481 CG GLU 94 3.776 -39.190 15.516 1.00 30.42 ATOM 1482 HG1 GLU 94 3.028 -38.415 15.433 1.00 38.37 ATOM 1483 HG2 GLU 94 3.291 -40.137 15.716 1.00 33.02 ATOM 1484 CD GLU 94 4.506 -39.301 14.192 1.00 50.13 ATOM 1485 OE1 GLU 94 4.819 -40.438 13.781 1.00 42.12 ATOM 1486 OE2 GLU 94 4.764 -38.251 13.567 1.00 62.34 ATOM 1487 C GLU 94 5.060 -38.669 19.139 1.00 14.21 ATOM 1488 O GLU 94 5.224 -37.466 19.348 1.00 25.41 ATOM 1489 N THR 95 5.682 -39.615 19.835 1.00 32.24 ATOM 1490 HN THR 95 5.522 -40.564 19.625 1.00 38.37 ATOM 1491 CA THR 95 6.612 -39.288 20.908 1.00 4.21 ATOM 1492 HA THR 95 6.594 -38.218 21.091 1.00 53.13 ATOM 1493 CB THR 95 6.228 -39.996 22.221 1.00 13.50 ATOM 1494 HB THR 95 6.964 -39.777 22.974 1.00 1.10 ATOM 1495 OG1 THR 95 6.184 -41.412 22.019 1.00 34.51 ATOM 1496 HG1 THR 95 6.324 -41.863 22.856 1.00 33.14 ATOM 1497 CG2 THR 95 4.877 -39.507 22.723 1.00 23.53 ATOM 1498 HG21 THR 95 4.921 -38.442 22.904 1.00 61.02 ATOM 1499 HG22 THR 95 4.631 -40.017 23.643 1.00 35.44 ATOM 1500 HG23 THR 95 4.118 -39.716 21.983 1.00 62.32 ATOM 1501 C THR 95 8.039 -39.674 20.535 1.00 2.11 ATOM 1502 O THR 95 8.279 -40.256 19.477 1.00 20.33 ATOM 1503 N PHE 96 8.984 -39.347 21.411 1.00 52.54 ATOM 1504 HN PHE 96 8.747 -38.854 22.203 1.00 38.37 ATOM 1505 CA PHE 96 10.388 -39.659 21.173 1.00 62.24 ATOM 1506 HA PHE 96 10.458 -40.450 20.436 1.00 15.22 ATOM 1507 CB PHE 96 11.123 -38.428 20.639 1.00 44.00 ATOM 1508 HB1 PHE 96 10.651 -38.120 19.714 1.00 38.37 ATOM 1509 HB2 PHE 96 12.153 -38.687 20.428 1.00 65.50 ATOM 1510 CG PHE 96 11.101 -37.260 21.583 1.00 22.35 ATOM 1511 CD1 PHE 96 9.977 -36.458 21.688 1.00 54.35 ATOM 1512 HD1 PHE 96 9.107 -36.685 21.091 1.00 55.01 ATOM 1513 CD2 PHE 96 12.205 -36.965 22.367 1.00 62.11 ATOM 1514 HD2 PHE 96 13.087 -37.575 22.290 1.00 32.40 ATOM 1515 CE1 PHE 96 9.953 -35.383 22.556 1.00 53.30 ATOM 1516 HE1 PHE 96 9.070 -34.765 22.628 1.00 53.04 ATOM 1517 CE2 PHE 96 12.187 -35.892 23.237 1.00 10.34 ATOM 1518 HE2 PHE 96 13.041 -35.678 23.845 1.00 0.32 ATOM 1519 CZ PHE 96 11.060 -35.099 23.331 1.00 11.22 ATOM 1520 HZ PHE 96 11.044 -34.259 24.010 1.00 41.13 ATOM 1521 C PHE 96 11.060 -40.152 22.451 1.00 32.10 ATOM 1522 O PHE 96 10.431 -40.225 23.507 1.00 71.51 ATOM 1523 N ASP 97 12.340 -40.489 22.347 1.00 65.20 ATOM 1524 HN ASP 97 12.795 -40.415 21.475 1.00 38.37 ATOM 1525 CA ASP 97 13.099 -40.975 23.494 1.00 51.00 ATOM 1526 HA ASP 97 12.415 -41.497 24.159 1.00 3.45 ATOM 1527 CB ASP 97 14.184 -41.952 23.038 1.00 34.33 ATOM 1528 HB1 ASP 97 15.021 -41.927 23.727 1.00 38.37 ATOM 1529 HB2 ASP 97 14.528 -41.667 22.060 1.00 61.20 ATOM 1530 CG ASP 97 13.683 -43.382 22.970 1.00 43.32 ATOM 1531 OD1 ASP 97 13.589 -43.925 21.849 1.00 41.31 ATOM 1532 OD2 ASP 97 13.387 -43.958 24.037 1.00 12.21 ATOM 1533 C ASP 97 13.730 -39.816 24.259 1.00 50.44 ATOM 1534 O ASP 97 14.351 -38.933 23.666 1.00 32.44 ATOM 1535 N ALA 98 13.566 -39.824 25.577 1.00 15.14 ATOM 1536 HN ALA 98 13.062 -40.562 25.997 1.00 38.37 ATOM 1537 CA ALA 98 14.120 -38.774 26.423 1.00 53.11 ATOM 1538 HA ALA 98 13.756 -37.822 26.063 1.00 25.54 ATOM 1539 CB ALA 98 13.644 -38.946 27.858 1.00 52.31 ATOM 1540 HB1 ALA 98 14.013 -38.131 28.465 1.00 72.35 ATOM 1541 HB2 ALA 98 14.009 -39.884 28.253 1.00 35.44 ATOM 1542 HB3 ALA 98 12.564 -38.946 27.879 1.00 15.23 ATOM 1543 C ALA 98 15.644 -38.770 26.366 1.00 75.12 ATOM 1544 O ALA 98 16.278 -37.734 26.558 1.00 65.13 ATOM 1545 N ASN 99 16.224 -39.936 26.101 1.00 21.13 ATOM 1546 HN ASN 99 15.669 -40.736 25.963 1.00 38.37 ATOM 1547 CA ASN 99 17.674 -40.067 26.020 1.00 4.24 ATOM 1548 HA ASN 99 18.101 -39.684 26.938 1.00 45.22 ATOM 1549 CB ASN 99 18.067 -41.538 25.873 1.00 62.11 ATOM 1550 HB1 ASN 99 19.145 -41.623 25.890 1.00 38.37 ATOM 1551 HB2 ASN 99 17.695 -41.917 24.931 1.00 21.21 ATOM 1552 CG ASN 99 17.504 -42.401 26.985 1.00 32.32 ATOM 1553 OD1 ASN 99 16.729 -43.325 26.737 1.00 21.31 ATOM 1554 ND2 ASN 99 17.892 -42.103 28.220 1.00 54.33 ATOM 1555 HD21 ASN 99 18.514 -41.353 28.359 1.00 13.22 ATOM 1556 HD22 ASN 99 17.539 -42.650 28.953 1.00 61.02 ATOM 1557 C ASN 99 18.229 -39.261 24.849 1.00 33.04 ATOM 1558 O ASN 99 19.188 -38.505 25.002 1.00 42.21 ATOM 1559 N ASP 100 17.618 -39.428 23.682 1.00 73.02 ATOM 1560 HN ASP 100 16.858 -40.055 23.619 1.00 38.37 ATOM 1561 CA ASP 100 18.048 -38.715 22.485 1.00 64.34 ATOM 1562 HA ASP 100 19.065 -39.014 22.264 1.00 25.13 ATOM 1563 CB ASP 100 17.149 -39.074 21.301 1.00 41.25 ATOM 1564 HB1 ASP 100 17.290 -38.354 20.508 1.00 38.37 ATOM 1565 HB2 ASP 100 16.117 -39.049 21.619 1.00 62.53 ATOM 1566 CG ASP 100 17.445 -40.453 20.746 1.00 70.33 ATOM 1567 OD1 ASP 100 18.441 -40.594 20.006 1.00 2.32 ATOM 1568 OD2 ASP 100 16.680 -41.392 21.050 1.00 32.32 ATOM 1569 C ASP 100 18.031 -37.207 22.714 1.00 30.23 ATOM 1570 O ASP 100 18.809 -36.467 22.110 1.00 75.42 ATOM 1571 N LEU 101 17.139 -36.758 23.590 1.00 1.31 ATOM 1572 HN LEU 101 16.517 -37.383 24.027 1.00 38.37 ATOM 1573 CA LEU 101 17.019 -35.337 23.899 1.00 22.13 ATOM 1574 HA LEU 101 17.216 -34.774 22.997 1.00 72.11 ATOM 1575 CB LEU 101 15.602 -35.017 24.379 1.00 63.22 ATOM 1576 HB1 LEU 101 15.310 -35.784 25.086 1.00 38.37 ATOM 1577 HB2 LEU 101 14.947 -35.074 23.533 1.00 55.12 ATOM 1578 CG LEU 101 15.412 -33.656 25.050 1.00 60.50 ATOM 1579 HG LEU 101 16.058 -33.581 25.912 1.00 20.53 ATOM 1580 CD1 LEU 101 15.775 -32.533 24.092 1.00 65.05 ATOM 1581 HD11 LEU 101 16.276 -32.904 23.212 1.00 34.31 ATOM 1582 HD12 LEU 101 16.435 -31.845 24.597 1.00 73.14 ATOM 1583 HD13 LEU 101 14.897 -32.004 23.794 1.00 2.13 ATOM 1584 CD2 LEU 101 13.980 -33.499 25.540 1.00 21.34 ATOM 1585 HD21 LEU 101 13.934 -32.710 26.261 1.00 41.22 ATOM 1586 HD22 LEU 101 13.643 -34.412 25.997 1.00 21.13 ATOM 1587 HD23 LEU 101 13.327 -33.263 24.711 1.00 53.12 ATOM 1588 C LEU 101 18.033 -34.923 24.961 1.00 22.40 ATOM 1589 O LEU 101 18.775 -33.957 24.783 1.00 53.24 ATOM 1590 N TYR 102 18.061 -35.662 26.064 1.00 21.44 ATOM 1591 HN TYR 102 17.442 -36.424 26.149 1.00 38.37 ATOM 1592 CA TYR 102 18.984 -35.372 27.155 1.00 21.43 ATOM 1593 HA TYR 102 18.744 -34.387 27.534 1.00 73.14 ATOM 1594 CB TYR 102 18.820 -36.400 28.277 1.00 41.42 ATOM 1595 HB1 TYR 102 19.247 -37.348 27.970 1.00 38.37 ATOM 1596 HB2 TYR 102 17.765 -36.533 28.455 1.00 15.35 ATOM 1597 CG TYR 102 19.451 -35.975 29.584 1.00 55.02 ATOM 1598 CD1 TYR 102 19.073 -34.792 30.208 1.00 61.04 ATOM 1599 HD1 TYR 102 18.317 -34.170 29.749 1.00 0.44 ATOM 1600 CD2 TYR 102 20.424 -36.756 30.195 1.00 50.35 ATOM 1601 HD2 TYR 102 20.732 -37.680 29.725 1.00 72.40 ATOM 1602 CE1 TYR 102 19.647 -34.400 31.402 1.00 53.55 ATOM 1603 HE1 TYR 102 19.340 -33.477 31.871 1.00 41.45 ATOM 1604 CE2 TYR 102 21.002 -36.372 31.389 1.00 11.10 ATOM 1605 HE2 TYR 102 21.764 -36.985 31.830 1.00 53.34 ATOM 1606 CZ TYR 102 20.610 -35.193 31.988 1.00 2.05 ATOM 1607 OH TYR 102 21.185 -34.806 33.178 1.00 75.43 ATOM 1608 HH TYR 102 22.085 -34.504 33.023 1.00 21.34 ATOM 1609 C TYR 102 20.428 -35.368 26.661 1.00 35.42 ATOM 1610 O TYR 102 21.173 -34.419 26.899 1.00 1.30 ATOM 1611 N GLN 103 20.813 -36.437 25.972 1.00 70.42 ATOM 1612 HN GLN 103 20.166 -37.163 25.804 1.00 38.37 ATOM 1613 CA GLN 103 22.167 -36.558 25.444 1.00 53.23 ATOM 1614 HA GLN 103 22.860 -36.162 26.177 1.00 53.41 ATOM 1615 CB GLN 103 22.511 -38.027 25.194 1.00 33.34 ATOM 1616 HB1 GLN 103 23.496 -38.098 24.751 1.00 38.37 ATOM 1617 HB2 GLN 103 21.789 -38.428 24.498 1.00 33.31 ATOM 1618 CG GLN 103 22.461 -38.885 26.449 1.00 40.04 ATOM 1619 HG1 GLN 103 22.208 -39.894 26.158 1.00 38.37 ATOM 1620 HG2 GLN 103 21.698 -38.512 27.120 1.00 65.52 ATOM 1621 CD GLN 103 23.787 -38.923 27.183 1.00 52.42 ATOM 1622 OE1 GLN 103 24.852 -38.873 26.567 1.00 21.32 ATOM 1623 NE2 GLN 103 23.729 -39.010 28.506 1.00 35.25 ATOM 1624 HE21 GLN 103 22.849 -39.045 28.946 1.00 44.50 ATOM 1625 HE22 GLN 103 24.576 -39.036 28.998 1.00 21.11 ATOM 1626 C GLN 103 22.320 -35.761 24.152 1.00 21.32 ATOM 1627 O GLN 103 23.434 -35.451 23.731 1.00 74.01 ATOM 1628 N GLY 104 21.193 -35.433 23.527 1.00 21.33 ATOM 1629 HN GLY 104 20.329 -35.728 23.869 1.00 38.37 ATOM 1630 CA GLY 104 21.224 -34.676 22.290 1.00 65.24 ATOM 1631 HA1 GLY 104 21.814 -33.779 22.430 1.00 38.37 ATOM 1632 HA2 GLY 104 20.214 -34.389 22.036 1.00 73.15 ATOM 1633 C GLY 104 21.806 -35.472 21.138 1.00 52.12 ATOM 1634 O GLY 104 22.662 -34.978 20.405 1.00 61.23 ATOM 1635 N GLN 105 21.341 -36.707 20.979 1.00 13.24 ATOM 1636 HN GLN 105 20.639 -37.044 21.585 1.00 38.37 ATOM 1637 CA GLN 105 21.823 -37.573 19.910 1.00 54.32 ATOM 1638 HA GLN 105 22.833 -37.279 19.647 1.00 31.15 ATOM 1639 CB GLN 105 21.854 -39.028 20.378 1.00 20.45 ATOM 1640 HB1 GLN 105 22.389 -39.610 19.640 1.00 38.37 ATOM 1641 HB2 GLN 105 20.839 -39.400 20.452 1.00 34.02 ATOM 1642 CG GLN 105 22.518 -39.217 21.733 1.00 65.44 ATOM 1643 HG1 GLN 105 21.767 -39.103 22.497 1.00 38.37 ATOM 1644 HG2 GLN 105 23.288 -38.468 21.870 1.00 75.50 ATOM 1645 CD GLN 105 23.154 -40.585 21.885 1.00 32.31 ATOM 1646 OE1 GLN 105 24.294 -40.706 22.334 1.00 30.42 ATOM 1647 NE2 GLN 105 22.418 -41.625 21.511 1.00 35.34 ATOM 1648 HE21 GLN 105 21.510 -41.481 21.164 1.00 52.05 ATOM 1649 HE22 GLN 105 22.819 -42.515 21.598 1.00 15.14 ATOM 1650 C GLN 105 20.945 -37.445 18.669 1.00 43.52 ATOM 1651 O GLN 105 21.442 -37.441 17.543 1.00 2.04 ATOM 1652 N ASN 106 19.638 -37.340 18.883 1.00 52.23 ATOM 1653 HN ASN 106 19.285 -37.373 19.802 1.00 38.37 ATOM 1654 CA ASN 106 18.691 -37.212 17.781 1.00 72.41 ATOM 1655 HA ASN 106 19.229 -36.971 16.870 1.00 13.14 ATOM 1656 CB ASN 106 17.935 -38.527 17.576 1.00 12.31 ATOM 1657 HB1 ASN 106 17.091 -38.356 16.926 1.00 38.37 ATOM 1658 HB2 ASN 106 17.581 -38.884 18.521 1.00 3.42 ATOM 1659 CG ASN 106 18.798 -39.596 16.935 1.00 73.15 ATOM 1660 OD1 ASN 106 19.738 -39.293 16.200 1.00 10.30 ATOM 1661 ND2 ASN 106 18.481 -40.856 17.210 1.00 54.12 ATOM 1662 HD21 ASN 106 17.718 -41.040 17.804 1.00 4.20 ATOM 1663 HD22 ASN 106 19.027 -41.562 16.805 1.00 63.32 ATOM 1664 C ASN 106 17.703 -36.080 18.041 1.00 14.42 ATOM 1665 O ASN 106 16.543 -36.318 18.379 1.00 30.31 ATOM 1666 N PHE 107 18.170 -34.846 17.881 1.00 54.21 ATOM 1667 HN PHE 107 19.110 -34.719 17.605 1.00 38.37 ATOM 1668 CA PHE 107 17.328 -33.675 18.099 1.00 74.33 ATOM 1669 HA PHE 107 16.948 -33.720 19.112 1.00 42.25 ATOM 1670 CB PHE 107 18.146 -32.394 17.932 1.00 4.54 ATOM 1671 HB1 PHE 107 18.486 -32.318 16.906 1.00 38.37 ATOM 1672 HB2 PHE 107 19.008 -32.449 18.582 1.00 61.11 ATOM 1673 CG PHE 107 17.388 -31.147 18.288 1.00 33.01 ATOM 1674 CD1 PHE 107 16.857 -30.982 19.557 1.00 3.54 ATOM 1675 HD1 PHE 107 16.992 -31.758 20.298 1.00 75.24 ATOM 1676 CD2 PHE 107 17.205 -30.141 17.353 1.00 3.44 ATOM 1677 HD2 PHE 107 17.613 -30.256 16.358 1.00 71.30 ATOM 1678 CE1 PHE 107 16.158 -29.836 19.887 1.00 40.11 ATOM 1679 HE1 PHE 107 15.751 -29.719 20.876 1.00 40.42 ATOM 1680 CE2 PHE 107 16.507 -28.992 17.677 1.00 23.44 ATOM 1681 HE2 PHE 107 16.370 -28.217 16.939 1.00 1.43 ATOM 1682 CZ PHE 107 15.984 -28.840 18.946 1.00 11.42 ATOM 1683 HZ PHE 107 15.434 -27.956 19.192 1.00 13.22 ATOM 1684 C PHE 107 16.147 -33.667 17.132 1.00 60.10 ATOM 1685 O PHE 107 15.098 -33.094 17.422 1.00 72.10 ATOM 1686 N ASN 108 16.328 -34.307 15.981 1.00 11.12 ATOM 1687 HN ASN 108 17.212 -34.643 15.770 1.00 38.37 ATOM 1688 CA ASN 108 15.279 -34.373 14.970 1.00 13.22 ATOM 1689 HA ASN 108 15.125 -33.376 14.585 1.00 63.54 ATOM 1690 CB ASN 108 15.706 -35.288 13.821 1.00 50.11 ATOM 1691 HB1 ASN 108 16.471 -34.788 13.243 1.00 38.37 ATOM 1692 HB2 ASN 108 14.859 -35.489 13.177 1.00 65.03 ATOM 1693 CG ASN 108 16.262 -36.611 14.311 1.00 2.32 ATOM 1694 OD1 ASN 108 15.536 -37.599 14.423 1.00 44.14 ATOM 1695 ND2 ASN 108 17.557 -36.635 14.607 1.00 15.22 ATOM 1696 HD21 ASN 108 18.094 -35.821 14.490 1.00 20.53 ATOM 1697 HD22 ASN 108 17.931 -37.479 14.936 1.00 64.42 ATOM 1698 C ASN 108 13.971 -34.874 15.575 1.00 20.43 ATOM 1699 O ASN 108 12.917 -34.265 15.396 1.00 54.50 ATOM 1700 N LYS 109 14.047 -35.990 16.293 1.00 3.45 ATOM 1701 HN LYS 109 14.927 -36.382 16.469 1.00 38.37 ATOM 1702 CA LYS 109 12.871 -36.574 16.928 1.00 44.24 ATOM 1703 HA LYS 109 12.122 -36.742 16.165 1.00 1.40 ATOM 1704 CB LYS 109 13.227 -37.916 17.570 1.00 22.24 ATOM 1705 HB1 LYS 109 12.307 -38.422 17.832 1.00 38.37 ATOM 1706 HB2 LYS 109 13.800 -37.735 18.471 1.00 61.54 ATOM 1707 CG LYS 109 14.047 -38.824 16.670 1.00 40.33 ATOM 1708 HG1 LYS 109 15.057 -38.463 16.637 1.00 38.37 ATOM 1709 HG2 LYS 109 13.627 -38.816 15.673 1.00 41.34 ATOM 1710 CD LYS 109 14.055 -40.255 17.179 1.00 70.31 ATOM 1711 HD1 LYS 109 14.627 -40.865 16.495 1.00 38.37 ATOM 1712 HD2 LYS 109 13.039 -40.622 17.225 1.00 15.53 ATOM 1713 CE LYS 109 14.678 -40.351 18.563 1.00 32.02 ATOM 1714 HE1 LYS 109 14.126 -39.729 19.252 1.00 38.37 ATOM 1715 HE2 LYS 109 15.700 -40.010 18.512 1.00 34.31 ATOM 1716 NZ LYS 109 14.666 -41.747 19.082 1.00 55.04 ATOM 1717 HZ1 LYS 109 15.144 -41.787 20.002 1.00 0.14 ATOM 1718 HZ2 LYS 109 15.161 -42.384 18.424 1.00 61.00 ATOM 1719 HZ3 LYS 109 13.686 -42.079 19.199 1.00 65.23 ATOM 1720 C LYS 109 12.296 -35.631 17.980 1.00 73.15 ATOM 1721 O LYS 109 11.080 -35.554 18.160 1.00 43.33 ATOM 1722 N VAL 110 13.176 -34.915 18.671 1.00 3.41 ATOM 1723 HN VAL 110 14.130 -34.999 18.461 1.00 38.37 ATOM 1724 CA VAL 110 12.755 -33.975 19.703 1.00 2.13 ATOM 1725 HA VAL 110 12.107 -34.503 20.394 1.00 54.13 ATOM 1726 CB VAL 110 13.961 -33.429 20.491 1.00 31.32 ATOM 1727 HB VAL 110 14.541 -32.785 19.841 1.00 23.03 ATOM 1728 CG1 VAL 110 13.493 -32.604 21.680 1.00 32.33 ATOM 1729 HG11 VAL 110 13.271 -33.246 22.521 1.00 55.11 ATOM 1730 HG12 VAL 110 12.614 -32.029 21.434 1.00 73.24 ATOM 1731 HG13 VAL 110 14.279 -31.929 21.945 1.00 63.14 ATOM 1732 CG2 VAL 110 14.861 -34.569 20.944 1.00 70.12 ATOM 1733 HG21 VAL 110 15.632 -34.188 21.595 1.00 11.43 ATOM 1734 HG22 VAL 110 15.326 -35.029 20.090 1.00 10.34 ATOM 1735 HG23 VAL 110 14.278 -35.308 21.476 1.00 24.35 ATOM 1736 C VAL 110 11.985 -32.806 19.101 1.00 54.44 ATOM 1737 O VAL 110 10.974 -32.365 19.650 1.00 40.32 ATOM 1738 N LEU 111 12.467 -32.307 17.968 1.00 65.21 ATOM 1739 HN LEU 111 13.283 -32.697 17.574 1.00 38.37 ATOM 1740 CA LEU 111 11.824 -31.188 17.289 1.00 73.24 ATOM 1741 HA LEU 111 11.647 -30.410 18.021 1.00 32.13 ATOM 1742 CB LEU 111 12.731 -30.647 16.183 1.00 63.05 ATOM 1743 HB1 LEU 111 12.530 -31.201 15.271 1.00 38.37 ATOM 1744 HB2 LEU 111 13.761 -30.841 16.463 1.00 14.34 ATOM 1745 CG LEU 111 12.600 -29.155 15.877 1.00 43.50 ATOM 1746 HG LEU 111 11.555 -28.909 15.752 1.00 25.44 ATOM 1747 CD1 LEU 111 13.142 -28.324 17.030 1.00 21.11 ATOM 1748 HD11 LEU 111 14.148 -27.993 16.817 1.00 53.02 ATOM 1749 HD12 LEU 111 13.149 -28.894 17.949 1.00 55.31 ATOM 1750 HD13 LEU 111 12.511 -27.460 17.163 1.00 21.31 ATOM 1751 CD2 LEU 111 13.323 -28.810 14.583 1.00 3.41 ATOM 1752 HD21 LEU 111 12.905 -29.388 13.770 1.00 23.14 ATOM 1753 HD22 LEU 111 14.376 -29.038 14.680 1.00 4.14 ATOM 1754 HD23 LEU 111 13.203 -27.758 14.369 1.00 54.55 ATOM 1755 C LEU 111 10.481 -31.608 16.700 1.00 34.21 ATOM 1756 O LEU 111 9.468 -30.937 16.897 1.00 0.50 ATOM 1757 N SER 112 10.480 -32.725 15.979 1.00 54.54 ATOM 1758 HN SER 112 11.326 -33.219 15.851 1.00 38.37 ATOM 1759 CA SER 112 9.261 -33.234 15.360 1.00 43.30 ATOM 1760 HA SER 112 8.960 -32.535 14.593 1.00 21.21 ATOM 1761 CB SER 112 9.523 -34.596 14.715 1.00 35.32 ATOM 1762 HB1 SER 112 8.591 -35.020 14.362 1.00 38.37 ATOM 1763 HB2 SER 112 9.964 -35.258 15.445 1.00 71.52 ATOM 1764 OG SER 112 10.409 -34.479 13.616 1.00 4.22 ATOM 1765 HG SER 112 9.927 -34.175 12.842 1.00 62.22 ATOM 1766 C SER 112 8.139 -33.351 16.387 1.00 72.04 ATOM 1767 O SER 112 6.970 -33.121 16.074 1.00 25.53 ATOM 1768 N SER 113 8.503 -33.710 17.613 1.00 33.35 ATOM 1769 HN SER 113 9.450 -33.903 17.805 1.00 38.37 ATOM 1770 CA SER 113 7.527 -33.862 18.686 1.00 20.45 ATOM 1771 HA SER 113 6.783 -34.579 18.367 1.00 71.53 ATOM 1772 CB SER 113 8.207 -34.390 19.952 1.00 52.54 ATOM 1773 HB1 SER 113 8.732 -33.589 20.458 1.00 38.37 ATOM 1774 HB2 SER 113 8.914 -35.150 19.665 1.00 11.24 ATOM 1775 OG SER 113 7.260 -34.956 20.841 1.00 61.11 ATOM 1776 HG SER 113 7.038 -35.846 20.554 1.00 41.44 ATOM 1777 C SER 113 6.834 -32.536 18.983 1.00 42.22 ATOM 1778 O SER 113 5.605 -32.453 18.995 1.00 43.31 ATOM 1779 N LEU 114 7.631 -31.500 19.222 1.00 61.15 ATOM 1780 HN LEU 114 8.605 -31.628 19.161 1.00 38.37 ATOM 1781 CA LEU 114 7.096 -30.176 19.518 1.00 2.42 ATOM 1782 HA LEU 114 6.426 -30.263 20.363 1.00 1.35 ATOM 1783 CB LEU 114 8.230 -29.217 19.887 1.00 51.04 ATOM 1784 HB1 LEU 114 7.790 -28.306 20.262 1.00 38.37 ATOM 1785 HB2 LEU 114 8.782 -28.981 18.984 1.00 32.33 ATOM 1786 CG LEU 114 9.231 -29.728 20.923 1.00 63.52 ATOM 1787 HG LEU 114 9.747 -30.580 20.529 1.00 34.23 ATOM 1788 CD1 LEU 114 10.271 -28.663 21.232 1.00 41.43 ATOM 1789 HD11 LEU 114 9.790 -27.777 21.623 1.00 35.14 ATOM 1790 HD12 LEU 114 10.810 -28.419 20.332 1.00 32.44 ATOM 1791 HD13 LEU 114 10.968 -29.044 21.955 1.00 43.54 ATOM 1792 CD2 LEU 114 8.512 -30.158 22.193 1.00 72.30 ATOM 1793 HD21 LEU 114 7.817 -30.955 21.973 1.00 31.23 ATOM 1794 HD22 LEU 114 7.976 -29.319 22.614 1.00 24.14 ATOM 1795 HD23 LEU 114 9.237 -30.512 22.905 1.00 15.05 ATOM 1796 C LEU 114 6.315 -29.625 18.329 1.00 4.12 ATOM 1797 O LEU 114 5.374 -28.850 18.497 1.00 51.53 ATOM 1798 N VAL 115 6.712 -30.032 17.128 1.00 74.45 ATOM 1799 HN VAL 115 7.475 -30.649 17.047 1.00 38.37 ATOM 1800 CA VAL 115 6.047 -29.583 15.910 1.00 0.42 ATOM 1801 HA VAL 115 5.915 -28.507 15.971 1.00 45.25 ATOM 1802 CB VAL 115 6.893 -29.893 14.661 1.00 21.43 ATOM 1803 HB VAL 115 6.991 -30.967 14.568 1.00 50.21 ATOM 1804 CG1 VAL 115 6.208 -29.369 13.408 1.00 24.23 ATOM 1805 HG11 VAL 115 6.866 -29.489 12.557 1.00 0.31 ATOM 1806 HG12 VAL 115 5.973 -28.321 13.529 1.00 35.13 ATOM 1807 HG13 VAL 115 5.299 -29.922 13.226 1.00 35.20 ATOM 1808 CG2 VAL 115 8.288 -29.304 14.803 1.00 1.50 ATOM 1809 HG21 VAL 115 9.014 -30.052 14.522 1.00 32.41 ATOM 1810 HG22 VAL 115 8.482 -28.992 15.819 1.00 43.44 ATOM 1811 HG23 VAL 115 8.404 -28.446 14.152 1.00 51.25 ATOM 1812 C VAL 115 4.678 -30.235 15.758 1.00 33.43 ATOM 1813 O VAL 115 3.764 -29.658 15.168 1.00 72.40 ATOM 1814 N THR 116 4.541 -31.444 16.296 1.00 42.22 ATOM 1815 HN THR 116 5.303 -31.868 16.754 1.00 38.37 ATOM 1816 CA THR 116 3.284 -32.176 16.220 1.00 73.41 ATOM 1817 HA THR 116 2.832 -31.988 15.251 1.00 11.54 ATOM 1818 CB THR 116 3.509 -33.695 16.351 1.00 2.52 ATOM 1819 HB THR 116 3.990 -33.895 17.299 1.00 34.11 ATOM 1820 OG1 THR 116 4.356 -34.157 15.293 1.00 22.34 ATOM 1821 HG1 THR 116 5.273 -33.973 15.511 1.00 10.42 ATOM 1822 CG2 THR 116 2.186 -34.444 16.312 1.00 14.55 ATOM 1823 HG21 THR 116 1.668 -34.323 17.252 1.00 52.01 ATOM 1824 HG22 THR 116 2.379 -35.494 16.147 1.00 44.31 ATOM 1825 HG23 THR 116 1.568 -34.067 15.508 1.00 52.34 ATOM 1826 C THR 116 2.316 -31.722 17.307 1.00 41.04 ATOM 1827 O THR 116 1.138 -31.477 17.041 1.00 25.31 ATOM 1828 N LEU 117 2.819 -31.610 18.531 1.00 63.11 ATOM 1829 HN LEU 117 3.769 -31.831 18.686 1.00 38.37 ATOM 1830 CA LEU 117 1.999 -31.184 19.659 1.00 11.53 ATOM 1831 HA LEU 117 1.265 -31.944 19.844 1.00 71.52 ATOM 1832 CB LEU 117 2.863 -31.024 20.912 1.00 55.03 ATOM 1833 HB1 LEU 117 3.736 -30.445 20.640 1.00 38.37 ATOM 1834 HB2 LEU 117 3.192 -32.009 21.217 1.00 14.12 ATOM 1835 CG LEU 117 2.193 -30.345 22.107 1.00 52.22 ATOM 1836 HG LEU 117 1.881 -29.350 21.834 1.00 5.44 ATOM 1837 CD1 LEU 117 0.952 -31.115 22.532 1.00 5.04 ATOM 1838 HD11 LEU 117 1.226 -32.126 22.801 1.00 32.55 ATOM 1839 HD12 LEU 117 0.238 -31.142 21.724 1.00 14.14 ATOM 1840 HD13 LEU 117 0.500 -30.631 23.386 1.00 34.13 ATOM 1841 CD2 LEU 117 3.170 -30.221 23.267 1.00 62.14 ATOM 1842 HD21 LEU 117 3.236 -31.168 23.768 1.00 3.33 ATOM 1843 HD22 LEU 117 2.803 -29.481 23.954 1.00 13.22 ATOM 1844 HD23 LEU 117 4.148 -29.927 22.909 1.00 23.43 ATOM 1845 C LEU 117 1.286 -29.871 19.349 1.00 72.42 ATOM 1846 O LEU 117 0.191 -29.616 19.848 1.00 52.43 ATOM 1847 N ASN 118 1.914 -29.044 18.520 1.00 62.23 ATOM 1848 HN ASN 118 2.807 -29.274 18.176 1.00 38.37 ATOM 1849 CA ASN 118 1.339 -27.759 18.141 1.00 12.30 ATOM 1850 HA ASN 118 0.886 -27.312 19.018 1.00 1.23 ATOM 1851 CB ASN 118 2.431 -26.819 17.626 1.00 62.41 ATOM 1852 HB1 ASN 118 3.006 -27.330 16.868 1.00 38.37 ATOM 1853 HB2 ASN 118 3.083 -26.548 18.440 1.00 63.44 ATOM 1854 CG ASN 118 1.864 -25.550 17.020 1.00 20.02 ATOM 1855 OD1 ASN 118 1.847 -25.385 15.800 1.00 1.24 ATOM 1856 ND2 ASN 118 1.396 -24.646 17.873 1.00 41.33 ATOM 1857 HD21 ASN 118 1.416 -24.842 18.818 1.00 22.12 ATOM 1858 HD22 ASN 118 1.046 -23.808 17.505 1.00 20.11 ATOM 1859 C ASN 118 0.262 -27.937 17.075 1.00 21.50 ATOM 1860 O ASN 118 -0.820 -27.358 17.166 1.00 13.14 ATOM 1861 N LYS 119 0.566 -28.744 16.064 1.00 23.42 ATOM 1862 HN LYS 119 1.453 -29.177 16.040 1.00 38.37 ATOM 1863 CA LYS 119 -0.375 -29.002 14.981 1.00 64.53 ATOM 1864 HA LYS 119 -0.680 -28.050 14.562 1.00 61.40 ATOM 1865 CB LYS 119 0.293 -29.839 13.886 1.00 12.54 ATOM 1866 HB1 LYS 119 -0.466 -30.223 13.214 1.00 38.37 ATOM 1867 HB2 LYS 119 0.795 -30.675 14.356 1.00 5.14 ATOM 1868 CG LYS 119 1.297 -29.061 13.054 1.00 5.42 ATOM 1869 HG1 LYS 119 1.805 -28.339 13.682 1.00 38.37 ATOM 1870 HG2 LYS 119 0.772 -28.542 12.266 1.00 35.52 ATOM 1871 CD LYS 119 2.338 -29.978 12.435 1.00 61.43 ATOM 1872 HD1 LYS 119 2.858 -30.507 13.216 1.00 38.37 ATOM 1873 HD2 LYS 119 3.041 -29.379 11.875 1.00 22.15 ATOM 1874 CE LYS 119 1.699 -30.996 11.502 1.00 22.34 ATOM 1875 HE1 LYS 119 0.838 -30.554 11.014 1.00 38.37 ATOM 1876 HE2 LYS 119 1.380 -31.847 12.085 1.00 61.42 ATOM 1877 NZ LYS 119 2.649 -31.461 10.454 1.00 41.22 ATOM 1878 HZ1 LYS 119 3.480 -31.912 10.892 1.00 10.14 ATOM 1879 HZ2 LYS 119 2.969 -30.659 9.873 1.00 42.15 ATOM 1880 HZ3 LYS 119 2.182 -32.154 9.835 1.00 31.14 ATOM 1881 C LYS 119 -1.616 -29.721 15.498 1.00 34.42 ATOM 1882 O LYS 119 -2.742 -29.270 15.285 1.00 4.40 ATOM 1883 N VAL 120 -1.405 -30.842 16.180 1.00 25.44 ATOM 1884 HN VAL 120 -0.482 -31.166 16.288 1.00 38.37 ATOM 1885 CA VAL 120 -2.507 -31.622 16.731 1.00 63.33 ATOM 1886 HA VAL 120 -3.069 -32.038 15.905 1.00 42.05 ATOM 1887 CB VAL 120 -1.992 -32.780 17.607 1.00 15.22 ATOM 1888 HB VAL 120 -2.840 -33.277 18.048 1.00 24.25 ATOM 1889 CG1 VAL 120 -1.249 -33.802 16.760 1.00 13.33 ATOM 1890 HG11 VAL 120 -0.387 -33.341 16.301 1.00 74.13 ATOM 1891 HG12 VAL 120 -1.906 -34.180 15.989 1.00 54.11 ATOM 1892 HG13 VAL 120 -0.926 -34.623 17.385 1.00 72.02 ATOM 1893 CG2 VAL 120 -1.102 -32.249 18.721 1.00 72.52 ATOM 1894 HG21 VAL 120 -1.726 -31.825 19.493 1.00 52.01 ATOM 1895 HG22 VAL 120 -0.451 -31.496 18.357 1.00 71.22 ATOM 1896 HG23 VAL 120 -0.519 -33.054 19.149 1.00 45.34 ATOM 1897 C VAL 120 -3.439 -30.747 17.560 1.00 11.33 ATOM 1898 O VAL 120 -4.646 -30.985 17.618 1.00 60.11 ATOM 1899 N THR 121 -2.872 -29.730 18.203 1.00 61.15 ATOM 1900 HN THR 121 -1.898 -29.595 18.153 1.00 38.37 ATOM 1901 CA THR 121 -3.652 -28.818 19.030 1.00 64.31 ATOM 1902 HA THR 121 -4.473 -29.368 19.481 1.00 11.41 ATOM 1903 CB THR 121 -2.797 -28.217 20.162 1.00 34.41 ATOM 1904 HB THR 121 -3.341 -27.402 20.627 1.00 53.31 ATOM 1905 OG1 THR 121 -1.567 -27.711 19.632 1.00 55.22 ATOM 1906 HG1 THR 121 -1.722 -26.863 19.208 1.00 33.13 ATOM 1907 CG2 THR 121 -2.504 -29.260 21.230 1.00 23.02 ATOM 1908 HG21 THR 121 -2.981 -28.964 22.153 1.00 62.23 ATOM 1909 HG22 THR 121 -1.447 -29.335 21.391 1.00 21.25 ATOM 1910 HG23 THR 121 -2.883 -30.230 20.934 1.00 64.24 ATOM 1911 C THR 121 -4.239 -27.686 18.196 1.00 14.52 ATOM 1912 O THR 121 -5.269 -27.112 18.550 1.00 40.23 ATOM 1913 N ALA 122 -3.579 -27.369 17.087 1.00 3.24 ATOM 1914 HN ALA 122 -2.739 -27.820 16.878 1.00 38.37 ATOM 1915 CA ALA 122 -4.038 -26.306 16.202 1.00 60.12 ATOM 1916 HA ALA 122 -4.058 -25.382 16.765 1.00 34.43 ATOM 1917 CB ALA 122 -3.068 -26.128 15.043 1.00 22.52 ATOM 1918 HB1 ALA 122 -2.070 -25.984 15.431 1.00 13.20 ATOM 1919 HB2 ALA 122 -3.354 -25.263 14.463 1.00 0.13 ATOM 1920 HB3 ALA 122 -3.084 -27.005 14.411 1.00 21.31 ATOM 1921 C ALA 122 -5.441 -26.595 15.680 1.00 53.44 ATOM 1922 O ALA 122 -6.201 -25.676 15.374 1.00 54.41 ATOM 1923 N ASP 123 -5.778 -27.876 15.579 1.00 13.44 ATOM 1924 HN ASP 123 -5.125 -28.576 15.807 1.00 38.37 ATOM 1925 CA ASP 123 -7.091 -28.285 15.094 1.00 31.22 ATOM 1926 HA ASP 123 -7.322 -27.692 14.215 1.00 52.22 ATOM 1927 CB ASP 123 -7.078 -29.766 14.712 1.00 31.24 ATOM 1928 HB1 ASP 123 -7.282 -30.378 15.582 1.00 38.37 ATOM 1929 HB2 ASP 123 -6.100 -30.024 14.327 1.00 50.22 ATOM 1930 CG ASP 123 -8.101 -30.097 13.643 1.00 25.41 ATOM 1931 OD1 ASP 123 -9.297 -30.211 13.982 1.00 41.03 ATOM 1932 OD2 ASP 123 -7.704 -30.244 12.468 1.00 51.03 ATOM 1933 C ASP 123 -8.164 -28.028 16.148 1.00 72.15 ATOM 1934 O ASP 123 -9.332 -27.817 15.819 1.00 10.20 ATOM 1935 N ILE 124 -7.761 -28.049 17.413 1.00 5.23 ATOM 1936 HN ILE 124 -6.817 -28.198 17.613 1.00 38.37 ATOM 1937 CA ILE 124 -8.688 -27.818 18.514 1.00 4.11 ATOM 1938 HA ILE 124 -9.525 -28.499 18.398 1.00 11.32 ATOM 1939 CB ILE 124 -8.025 -28.096 19.876 1.00 4.11 ATOM 1940 HB ILE 124 -7.261 -27.349 20.047 1.00 70.32 ATOM 1941 CG1 ILE 124 -7.370 -29.479 19.877 1.00 52.14 ATOM 1942 HG11 ILE 124 -6.644 -29.544 19.083 1.00 38.37 ATOM 1943 HG12 ILE 124 -8.127 -30.235 19.725 1.00 51.55 ATOM 1944 CG2 ILE 124 -9.049 -27.988 20.996 1.00 72.33 ATOM 1945 HG21 ILE 124 -8.571 -28.153 21.950 1.00 3.13 ATOM 1946 HG22 ILE 124 -9.824 -28.728 20.854 1.00 42.43 ATOM 1947 HG23 ILE 124 -9.495 -27.004 21.000 1.00 72.04 ATOM 1948 CD1 ILE 124 -6.649 -29.806 21.165 1.00 1.45 ATOM 1949 HD11 ILE 124 -7.368 -29.960 21.955 1.00 32.12 ATOM 1950 HD12 ILE 124 -5.988 -28.993 21.432 1.00 0.43 ATOM 1951 HD13 ILE 124 -6.069 -30.707 21.030 1.00 31.41 ATOM 1952 C ILE 124 -9.213 -26.386 18.500 1.00 63.44 ATOM 1953 O ILE 124 -10.376 -26.138 18.812 1.00 13.42 ATOM 1954 N GLY 125 -8.346 -25.447 18.132 1.00 21.42 ATOM 1955 HN GLY 125 -7.420 -25.685 17.905 1.00 38.37 ATOM 1956 CA GLY 125 -8.741 -24.052 18.082 1.00 40.13 ATOM 1957 HA1 GLY 125 -9.820 -23.959 18.073 1.00 38.37 ATOM 1958 HA2 GLY 125 -8.357 -23.625 17.168 1.00 25.11 ATOM 1959 C GLY 125 -8.193 -23.252 19.246 1.00 4.44 ATOM 1960 O GLY 125 -8.951 -22.651 20.009 1.00 52.13 ATOM 1961 N LEU 126 -6.872 -23.244 19.387 1.00 43.53 ATOM 1962 HN LEU 126 -6.317 -23.740 18.738 1.00 38.37 ATOM 1963 HA LEU 126 -6.609 -22.882 21.407 1.00 14.11 ATOM 1964 CB LEU 126 -4.709 -22.738 20.427 1.00 73.30 ATOM 1965 HB1 LEU 126 -4.264 -22.187 21.248 1.00 38.37 ATOM 1966 HB2 LEU 126 -4.333 -22.328 19.497 1.00 51.23 ATOM 1967 CG LEU 126 -4.245 -24.192 20.524 1.00 73.04 ATOM 1968 HG LEU 126 -4.597 -24.735 19.659 1.00 54.32 ATOM 1969 CD1 LEU 126 -2.726 -24.268 20.535 1.00 14.11 ATOM 1970 HD11 LEU 126 -2.339 -23.729 21.389 1.00 65.52 ATOM 1971 HD12 LEU 126 -2.335 -23.830 19.627 1.00 4.51 ATOM 1972 HD13 LEU 126 -2.415 -25.301 20.593 1.00 22.44 ATOM 1973 CD2 LEU 126 -4.824 -24.855 21.765 1.00 24.12 ATOM 1974 HD21 LEU 126 -4.556 -24.285 22.644 1.00 42.31 ATOM 1975 HD22 LEU 126 -4.431 -25.859 21.858 1.00 43.01 ATOM 1976 HD23 LEU 126 -5.899 -24.907 21.684 1.00 52.21 ATOM 1977 CA LEU 126 -6.222 -22.512 20.469 1.00 44.05 ATOM 1978 C LEU 126 -6.527 -21.020 20.377 1.00 23.35 ATOM 1979 OT1 LEU 126 -6.263 -20.423 19.310 1.00 38.37 ATOM 1980 OT2 LEU 126 -7.029 -20.456 21.373 1.00 38.37 ATOM 1981 OH2 TIP3 1 -9.884 -47.242 19.114 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -9.922 -47.888 19.819 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -10.207 -47.708 18.343 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.178 -44.303 17.416 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.619 -45.023 17.866 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -6.191 -43.582 18.046 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -9.067 -39.198 17.628 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -8.447 -39.875 17.355 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -9.275 -39.416 18.536 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -11.495 -44.809 19.520 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -11.191 -45.495 18.926 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -10.773 -44.691 20.138 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -8.354 -50.415 19.848 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -8.211 -51.362 19.868 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -8.460 -50.208 18.919 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -2.440 -51.730 22.617 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -3.129 -51.072 22.522 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -2.425 -51.927 23.554 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -7.414 -40.682 16.389 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -6.989 -41.389 15.904 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -7.097 -39.881 15.972 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -6.255 -42.781 14.898 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -6.512 -43.471 14.286 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -6.184 -43.224 15.743 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -6.793 -48.869 23.167 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -6.713 -48.106 23.739 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -7.394 -48.590 22.476 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -8.369 -42.141 20.349 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -8.610 -41.479 20.997 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -8.567 -42.975 20.774 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -11.035 -41.960 23.828 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.948 -41.134 24.303 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -11.899 -42.290 24.077 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -4.862 -50.041 25.432 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -5.269 -49.560 24.712 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -4.821 -50.946 25.125 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.105 -51.709 23.653 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -7.619 -51.835 24.450 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -7.260 -50.797 23.408 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -10.368 -49.409 25.737 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -10.931 -50.113 26.057 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -9.542 -49.529 26.204 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -9.202 -48.500 21.734 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -8.878 -49.131 21.091 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -9.642 -49.035 22.395 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -10.414 -45.000 23.741 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -10.760 -45.381 24.547 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.614 -44.066 23.812 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -4.137 -41.507 12.523 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -4.510 -42.333 12.833 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -3.860 -41.690 11.626 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -6.977 -46.699 19.545 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -7.905 -46.931 19.518 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -6.526 -47.476 19.215 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -12.492 -40.559 21.569 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -12.129 -39.704 21.336 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.960 -40.851 22.310 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -8.948 -44.460 21.270 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -9.374 -44.687 22.096 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -8.367 -45.198 21.087 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -2.241 -39.051 10.545 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -1.498 -38.465 10.405 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -2.936 -38.483 10.878 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -10.912 -50.568 23.153 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -10.793 -49.994 23.910 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -10.257 -51.256 23.268 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -4.708 -52.661 23.988 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -5.624 -52.398 23.900 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -4.372 -52.664 23.091 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -6.106 -48.910 18.084 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -6.903 -49.325 17.755 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -5.661 -49.601 18.575 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -8.131 -41.684 26.283 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -8.482 -42.540 26.526 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -7.405 -41.541 26.890 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -12.743 -45.203 26.321 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -13.071 -44.932 25.463 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -12.591 -46.144 26.233 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -9.599 -46.493 26.960 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -8.646 -46.409 26.932 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -9.759 -47.204 27.579 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -12.285 -47.800 22.497 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -11.534 -47.956 21.924 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -12.624 -46.948 22.221 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -7.869 -49.985 27.525 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -7.677 -50.916 27.414 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -7.012 -49.560 27.515 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -2.454 -48.943 25.719 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -3.317 -49.322 25.554 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.850 -49.682 25.645 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.485 -50.652 19.294 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -3.552 -50.440 19.260 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -4.720 -50.550 20.217 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -4.456 -49.915 22.070 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -5.299 -49.647 22.436 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -4.013 -49.093 21.859 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.565 -38.914 15.507 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -4.912 -39.261 14.899 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.054 -38.425 16.153 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -10.915 -39.611 25.268 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -10.730 -39.945 26.146 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -10.068 -39.302 24.946 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -10.646 -38.266 20.562 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -11.103 -37.737 19.908 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -10.483 -37.663 21.287 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -3.585 -39.134 13.515 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -3.779 -39.882 12.950 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.624 -38.376 12.931 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -6.178 -44.303 36.272 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -6.619 -45.023 36.722 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -6.191 -43.582 36.902 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.067 -39.198 36.484 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -8.447 -39.875 36.211 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -9.275 -39.416 37.392 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -5.666 -42.463 38.620 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -6.608 -42.405 38.781 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -5.390 -41.557 38.483 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -7.414 -40.682 35.245 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -6.989 -41.389 34.760 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -7.097 -39.881 34.828 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -6.255 -42.781 33.754 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -6.512 -43.471 33.142 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -6.184 -43.224 34.599 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -4.569 -44.215 42.231 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -4.429 -44.806 41.492 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.401 -43.342 41.875 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -10.042 -48.795 29.042 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -9.341 -48.773 29.693 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.740 -49.423 28.386 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.819 -47.881 30.640 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.240 -47.731 31.387 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.405 -47.410 29.917 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -2.014 -41.534 43.808 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -2.063 -42.489 43.771 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -2.840 -41.266 44.210 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -10.621 -38.188 32.490 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -10.696 -38.309 31.544 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -10.588 -37.238 32.609 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -7.519 -39.034 29.493 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -7.144 -39.778 29.022 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -7.515 -39.304 30.411 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.850 -39.108 32.242 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -8.785 -39.008 32.421 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -7.570 -39.817 32.820 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -6.342 -46.848 28.270 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -6.300 -47.071 27.340 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -5.493 -46.450 28.460 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.732 -37.666 44.915 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.532 -37.242 44.080 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -4.076 -37.323 45.522 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -9.808 -43.725 30.385 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -10.103 -42.899 30.767 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -10.511 -44.345 30.581 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -8.164 -42.538 42.547 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -9.065 -42.355 42.279 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -8.130 -42.279 43.468 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -2.469 -44.493 43.751 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -3.321 -44.255 43.384 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -1.879 -44.510 42.998 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -6.745 -43.531 29.200 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.392 -43.911 30.004 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -7.694 -43.624 29.286 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -6.289 -39.908 42.595 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -6.891 -40.463 42.100 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -6.008 -39.241 41.969 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -5.879 -44.858 31.426 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -6.156 -45.586 31.982 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -4.952 -44.739 31.632 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -5.019 -39.654 38.562 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -5.175 -38.976 37.905 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -4.087 -39.582 38.765 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -10.616 -40.556 27.785 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -11.260 -41.187 28.107 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -9.854 -41.087 27.553 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -9.705 -43.782 27.612 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -9.973 -43.602 28.513 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -9.911 -44.708 27.481 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -3.447 -46.259 27.890 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -3.720 -46.684 27.077 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.407 -45.328 27.673 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -12.939 -37.923 29.446 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -12.006 -37.765 29.590 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -13.203 -37.248 28.821 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -4.289 -43.647 46.351 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -5.155 -43.752 46.745 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -3.913 -42.888 46.798 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -2.988 -45.390 31.865 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.138 -44.969 31.993 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.983 -46.130 32.473 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -2.594 -47.337 33.689 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -3.320 -47.816 34.087 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -2.013 -47.131 34.421 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -2.835 -44.552 38.637 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -2.001 -44.930 38.356 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -2.723 -43.609 38.518 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -4.348 -41.674 40.944 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -4.996 -41.349 41.569 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -4.866 -42.114 40.269 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.326 -47.436 30.080 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -2.847 -47.079 29.361 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -2.359 -46.761 30.758 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -3.977 -50.196 28.631 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -3.880 -49.529 27.951 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -4.117 -51.012 28.149 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -5.565 -38.914 34.363 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -4.912 -39.261 33.755 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -5.054 -38.425 35.009 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -8.570 -38.326 43.368 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -7.893 -38.958 43.128 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -8.248 -37.924 44.176 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -8.319 -39.388 40.363 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -9.223 -39.223 40.097 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -7.890 -38.535 40.297 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.714 -37.818 40.658 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.896 -36.902 40.447 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -5.538 -38.228 39.811 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -10.294 -38.697 29.691 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -9.428 -38.331 29.513 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -10.541 -39.137 28.878 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -4.367 -40.383 44.521 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -5.149 -40.569 44.001 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -4.439 -39.454 44.738 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -2.931 -41.765 47.686 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.858 -40.826 47.856 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.026 -42.070 47.629 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -2.241 -39.051 48.257 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -1.498 -38.465 48.117 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -2.936 -38.483 48.590 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -6.012 -40.739 46.875 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -5.729 -41.533 47.328 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -5.272 -40.506 46.314 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -4.862 -31.185 6.576 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.269 -30.704 5.856 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -4.821 -32.090 6.269 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -10.368 -30.553 6.881 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -10.931 -31.257 7.201 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -9.542 -30.673 7.348 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -12.784 -29.055 6.945 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -13.080 -29.221 6.050 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -11.853 -29.275 6.935 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -9.599 -27.637 8.104 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -8.646 -27.553 8.076 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -9.759 -28.348 8.723 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -6.553 -28.340 6.747 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -6.834 -27.631 6.169 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -5.610 -28.413 6.596 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -11.797 -32.605 7.396 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -12.033 -32.825 8.298 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -12.580 -32.812 6.887 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -9.081 -33.478 6.472 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -10.029 -33.446 6.604 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -8.769 -34.103 7.126 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -7.447 -34.844 8.477 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -7.544 -35.796 8.471 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -7.769 -34.575 9.338 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -4.289 -24.791 8.639 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -5.155 -24.896 9.033 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -3.913 -24.032 9.086 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -3.951 -27.990 6.179 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -3.368 -28.724 6.370 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -3.387 -27.218 6.225 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -2.454 -30.087 6.863 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -3.317 -30.466 6.698 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -1.850 -30.826 6.789 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -2.173 -37.079 8.568 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -1.823 -37.733 7.962 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -2.026 -36.242 8.128 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -2.653 -34.970 6.917 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -3.570 -34.699 6.881 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -2.530 -35.505 6.133 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -17.516 -28.771 20.707 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -17.474 -29.397 21.431 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -16.813 -28.148 20.889 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -16.592 -24.321 19.242 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -16.962 -25.123 18.873 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -15.651 -24.490 19.289 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -15.199 -33.458 17.120 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -15.156 -32.598 16.702 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -15.657 -34.010 16.487 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -13.423 -29.511 17.098 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -12.807 -30.037 17.607 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -14.009 -30.151 16.694 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -13.820 -26.864 21.482 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -14.560 -26.266 21.585 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -13.106 -26.310 21.166 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -15.412 -24.900 22.269 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -15.418 -24.021 21.891 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -16.266 -24.983 22.694 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -15.045 -27.557 15.982 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -15.375 -27.927 15.163 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -14.457 -28.227 16.328 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -14.678 -28.788 19.615 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -14.113 -28.667 18.852 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -14.359 -28.151 20.254 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -13.798 -24.389 24.332 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -14.110 -23.607 24.788 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -14.448 -24.542 23.646 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -4.121 -37.275 11.597 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -5.020 -37.136 11.892 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -3.869 -36.444 11.195 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -16.055 -28.487 13.571 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -16.347 -27.719 13.080 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -16.729 -29.147 13.408 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -2.931 -22.909 9.974 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -2.858 -21.970 10.144 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -2.026 -23.214 9.917 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.035 -23.104 23.828 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -10.948 -22.278 24.303 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -11.899 -23.434 24.077 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -10.621 -19.332 13.634 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -10.696 -19.453 12.688 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -10.588 -18.382 13.753 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -7.519 -20.178 10.637 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -7.144 -20.922 10.166 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -7.515 -20.448 11.555 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -7.850 -20.252 13.386 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -8.785 -20.152 13.565 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -7.570 -20.961 13.964 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -10.431 -36.609 22.799 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -10.011 -37.024 23.552 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -11.364 -36.787 22.916 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -6.342 -27.992 9.414 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -6.300 -28.215 8.484 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.493 -27.594 9.604 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -10.769 -34.116 10.084 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -11.023 -34.097 11.007 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -11.026 -34.988 9.783 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -15.003 -31.365 20.520 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -15.645 -31.406 21.229 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -14.966 -30.439 20.282 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -15.006 -31.144 15.432 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -15.899 -31.485 15.373 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -14.555 -31.521 14.676 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -10.368 -30.553 25.737 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -10.931 -31.257 26.057 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -9.542 -30.673 26.204 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -13.887 -33.671 9.185 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -14.318 -34.116 9.915 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -14.605 -33.299 8.673 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -12.424 -33.717 16.518 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -13.335 -33.660 16.807 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -11.919 -33.777 17.329 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -13.943 -32.088 13.001 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -13.011 -31.959 13.179 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -14.158 -31.418 12.352 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -8.019 -34.482 19.782 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -8.696 -34.351 20.446 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -8.505 -34.637 18.972 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -15.269 -30.893 10.568 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -15.811 -31.273 9.877 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -14.435 -30.699 10.139 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -12.478 -32.541 20.819 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -13.313 -32.087 20.929 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -11.954 -32.265 21.571 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -11.934 -26.328 12.504 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -12.678 -26.835 12.181 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -12.068 -26.279 13.450 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -16.809 -27.033 18.273 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -16.064 -27.035 17.672 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -16.731 -27.857 18.755 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.808 -24.869 11.529 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.103 -24.043 11.911 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -10.511 -25.489 11.725 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -12.784 -29.055 25.801 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -13.080 -29.221 24.906 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -11.853 -29.275 25.791 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -4.137 -22.651 12.523 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -4.510 -23.477 12.833 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -3.860 -22.834 11.626 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -14.434 -23.515 15.678 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -13.907 -22.742 15.477 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -15.314 -23.290 15.376 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -13.007 -25.852 15.254 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -13.248 -24.927 15.296 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -13.747 -26.311 15.650 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -14.323 -20.830 14.799 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -15.273 -20.725 14.851 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -13.972 -20.010 15.144 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -6.745 -24.675 10.344 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -6.392 -25.055 11.148 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -7.694 -24.768 10.430 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -2.241 -20.195 10.545 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -1.498 -19.609 10.405 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -2.936 -19.627 10.878 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -13.717 -23.993 11.247 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -13.570 -24.513 12.037 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -13.720 -23.086 11.553 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -9.432 -34.078 22.036 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -8.734 -34.004 22.686 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -9.813 -34.942 22.191 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -8.648 -34.426 13.133 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -8.428 -33.954 12.330 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -8.090 -34.031 13.804 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -10.979 -22.295 11.996 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -11.796 -21.798 12.049 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -10.450 -21.820 11.356 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -10.912 -31.712 23.153 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.793 -31.138 23.910 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -10.257 -32.400 23.268 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -10.564 -35.617 14.906 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -10.911 -34.999 15.551 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -9.906 -35.116 14.425 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -14.907 -34.554 11.594 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -14.990 -33.665 11.940 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -14.017 -34.819 11.825 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -8.131 -22.828 26.283 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -8.482 -23.684 26.526 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -7.405 -22.685 26.890 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -6.012 -21.883 9.163 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -5.729 -22.677 9.616 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -5.272 -21.650 8.602 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -12.743 -26.347 26.321 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -13.071 -26.076 25.463 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -12.591 -27.288 26.233 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -9.705 -24.926 8.756 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -9.973 -24.746 9.657 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -9.911 -25.852 8.625 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -13.908 -28.001 11.326 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -14.367 -28.485 12.012 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -13.653 -28.669 10.690 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -14.619 -30.108 23.682 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -15.237 -29.433 23.963 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -14.275 -29.787 22.849 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.837 -29.758 9.589 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -13.017 -29.912 8.661 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -11.886 -29.650 9.633 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.599 -27.637 26.960 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -8.646 -27.553 26.932 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.759 -28.348 27.579 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -3.447 -27.403 9.034 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -3.720 -27.828 8.221 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -3.407 -26.472 8.817 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.061 -36.927 22.689 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -13.159 -35.980 22.583 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -13.804 -37.299 22.213 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -11.797 -32.605 26.252 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -12.033 -32.825 27.154 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -12.580 -32.812 25.743 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -9.081 -33.478 25.328 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -10.029 -33.446 25.460 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -8.769 -34.103 25.982 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -12.839 -37.633 25.360 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -12.127 -38.273 25.346 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -12.940 -37.366 24.446 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -12.486 -35.950 27.414 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -12.617 -36.426 26.593 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -13.085 -35.206 27.358 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -3.977 -31.340 9.775 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -3.880 -30.673 9.095 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -4.117 -32.156 9.293 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -4.729 -33.932 8.892 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -4.119 -34.304 9.529 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -5.566 -34.354 9.088 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -4.483 -35.114 13.907 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -4.301 -35.563 14.732 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -5.083 -35.699 13.443 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -2.617 -35.047 10.435 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -2.204 -35.768 9.959 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -1.935 -34.377 10.493 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -15.226 -22.154 22.309 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -15.651 -21.345 22.026 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -14.321 -22.069 22.007 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -10.915 -20.755 25.268 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -10.730 -21.089 26.146 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.068 -20.446 24.946 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -15.357 -19.298 21.386 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -16.222 -19.226 21.790 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -15.412 -18.751 20.602 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -16.268 -21.565 17.922 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -16.487 -22.481 18.091 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -15.444 -21.425 18.388 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -13.731 -21.095 18.770 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -13.518 -21.983 18.483 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -13.666 -21.129 19.725 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -10.222 -35.431 17.915 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -10.897 -36.060 18.170 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -9.658 -35.915 17.312 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -13.316 -36.870 15.550 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -12.442 -36.482 15.520 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -13.452 -37.085 16.473 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -7.759 -36.840 17.199 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -7.683 -36.745 16.250 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.035 -37.748 17.328 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -6.406 -36.814 12.892 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -7.109 -36.200 12.682 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -6.851 -37.652 13.023 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -12.172 -34.790 12.440 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -11.994 -35.436 13.123 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -12.226 -33.956 12.907 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -3.585 -20.278 13.515 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -3.779 -21.026 12.950 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -3.624 -19.520 12.931 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -8.817 -27.641 34.551 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -8.728 -26.697 34.419 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -9.456 -27.916 33.893 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.884 -28.386 37.970 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -9.922 -29.032 38.675 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -10.207 -28.852 37.199 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -6.178 -25.447 36.272 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -6.619 -26.167 36.722 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -6.191 -24.726 36.902 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -8.354 -31.559 38.704 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -8.211 -32.506 38.724 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.460 -31.352 37.775 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -13.423 -29.511 35.954 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -12.807 -30.037 36.463 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -14.009 -30.151 35.550 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -2.440 -32.874 41.473 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -3.129 -32.216 41.378 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -2.425 -33.071 42.410 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -9.020 -25.040 33.594 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -9.316 -25.362 32.743 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -9.344 -24.140 33.636 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -5.666 -23.607 38.620 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -6.608 -23.549 38.781 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -5.390 -22.701 38.483 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -5.366 -35.321 40.037 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -6.102 -34.710 39.999 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -4.682 -34.906 39.511 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -7.414 -21.826 35.245 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -6.989 -22.533 34.760 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -7.097 -21.025 34.828 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -6.255 -23.925 33.754 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -6.512 -24.615 33.142 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -6.184 -24.368 34.599 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -10.096 -28.397 32.003 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -10.808 -27.862 31.652 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -9.405 -28.341 31.343 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.042 -29.939 29.042 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -9.341 -29.917 29.693 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -9.740 -30.567 28.386 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -2.727 -29.019 40.297 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -3.379 -28.324 40.386 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -2.262 -28.809 39.487 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -10.093 -22.288 34.075 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.619 -21.993 34.853 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -10.656 -21.550 33.842 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -7.519 -20.178 29.493 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -7.144 -20.922 29.022 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -7.515 -20.448 30.411 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -7.850 -20.252 32.242 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.785 -20.152 32.421 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -7.570 -20.961 32.820 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -4.862 -31.185 44.288 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -5.269 -30.704 43.568 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -4.821 -32.090 43.981 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -7.105 -32.853 42.509 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -7.619 -32.979 43.306 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -7.260 -31.941 42.264 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -10.769 -34.116 28.940 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -11.023 -34.097 29.863 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -11.026 -34.988 28.639 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -8.466 -31.282 35.919 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -8.661 -30.677 35.204 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -8.284 -32.116 35.484 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -9.202 -29.644 40.590 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -8.878 -30.275 39.947 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -9.642 -30.179 41.251 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -12.424 -33.717 35.374 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -13.335 -33.660 35.663 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -11.919 -33.777 36.185 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -8.019 -34.482 38.638 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -8.696 -34.351 39.302 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -8.505 -34.637 37.828 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -11.104 -30.929 37.261 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -10.540 -31.476 36.714 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -11.252 -31.451 38.050 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -11.934 -26.328 31.360 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -12.678 -26.835 31.037 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -12.068 -26.279 32.306 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -4.784 -27.195 40.146 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -4.142 -26.738 39.603 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -5.614 -27.082 39.684 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -8.036 -33.514 29.559 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -8.974 -33.402 29.408 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -7.739 -32.657 29.865 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -9.808 -24.869 30.385 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -10.103 -24.043 30.767 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -10.511 -25.489 30.581 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.977 -27.843 38.401 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -7.905 -28.075 38.374 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.526 -28.620 38.071 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -13.007 -25.852 34.110 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -13.248 -24.927 34.152 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -13.747 -26.311 34.506 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -9.432 -34.078 40.892 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -8.734 -34.004 41.542 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -9.813 -34.942 41.047 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -8.648 -34.426 31.989 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -8.428 -33.954 31.186 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -8.090 -34.031 32.660 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -10.979 -22.295 30.852 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -11.796 -21.798 30.905 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -10.450 -21.820 30.212 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -11.448 -32.698 32.824 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -10.636 -32.194 32.870 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -11.693 -32.843 33.738 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -10.564 -35.617 33.762 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -10.911 -34.999 34.407 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -9.906 -35.116 33.281 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -4.708 -33.805 42.844 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -5.624 -33.542 42.756 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -4.372 -33.808 41.947 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -10.616 -21.700 27.785 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -11.260 -22.331 28.107 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -9.854 -22.231 27.553 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -9.705 -24.926 27.612 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -9.973 -24.746 28.513 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -9.911 -25.852 27.481 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -13.908 -28.001 30.182 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -14.367 -28.485 30.868 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -13.653 -28.669 29.546 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -12.837 -29.758 28.445 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -13.017 -29.912 27.517 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -11.886 -29.650 28.489 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -2.835 -25.696 38.637 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -2.001 -26.074 38.356 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -2.723 -24.753 38.518 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -2.454 -30.087 44.575 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -3.317 -30.466 44.410 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -1.850 -30.826 44.501 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -4.456 -31.059 40.926 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -5.299 -30.791 41.292 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -4.013 -30.237 40.715 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -2.173 -37.079 46.280 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -1.823 -37.733 45.674 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -2.026 -36.242 45.840 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -2.653 -34.970 44.629 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -3.570 -34.699 44.593 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -2.530 -35.505 43.845 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -5.565 -20.058 34.363 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -4.912 -20.405 33.755 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -5.054 -19.569 35.009 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -10.222 -35.431 36.771 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -10.897 -36.060 37.026 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -9.658 -35.915 36.168 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -5.080 -37.324 36.883 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -4.476 -36.776 36.382 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -5.949 -37.004 36.643 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -7.759 -36.840 36.055 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -7.683 -36.745 35.106 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -8.035 -37.748 36.184 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -6.406 -36.814 31.748 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -7.109 -36.200 31.538 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -6.851 -37.652 31.879 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -12.172 -34.790 31.296 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -11.994 -35.436 31.979 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -12.226 -33.956 31.763 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -10.294 -19.841 29.691 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -9.428 -19.475 29.513 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -10.541 -20.281 28.878 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -7.543 -37.600 45.828 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -7.467 -38.026 46.682 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -6.650 -37.586 45.486 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -4.729 -33.932 46.604 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -4.119 -34.304 47.241 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -5.566 -34.354 46.800 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -2.617 -35.047 48.147 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -2.204 -35.768 47.671 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -1.935 -34.377 48.205 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -2.832 -15.496 20.381 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -2.783 -14.886 21.117 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -2.406 -15.035 19.658 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -7.477 -14.471 15.521 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -6.831 -14.800 16.146 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -6.967 -13.953 14.898 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -2.440 -14.018 22.617 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -3.129 -13.360 22.522 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -2.425 -14.215 23.554 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -5.713 -15.180 17.502 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -5.928 -15.946 18.034 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -5.057 -14.708 18.015 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -5.366 -16.465 21.181 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -6.102 -15.854 21.143 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -4.682 -16.050 20.655 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -12.363 -18.378 18.647 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -12.480 -19.327 18.593 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -13.218 -18.046 18.920 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -10.431 -17.753 22.799 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -10.011 -18.168 23.552 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -11.364 -17.931 22.916 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -7.105 -13.997 23.653 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -7.619 -14.123 24.450 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -7.260 -13.085 23.408 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -8.019 -15.626 19.782 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -8.696 -15.495 20.446 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -8.505 -15.781 18.972 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -9.432 -15.222 22.036 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -8.734 -15.148 22.686 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -9.813 -16.086 22.191 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -10.564 -16.761 14.906 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.911 -16.143 15.551 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -9.906 -16.260 14.425 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.708 -14.949 23.988 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -5.624 -14.686 23.900 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -4.372 -14.952 23.091 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -13.061 -18.071 22.689 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -13.159 -17.124 22.583 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -13.804 -18.443 22.213 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -9.081 -14.622 25.328 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -10.029 -14.590 25.460 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -8.769 -15.247 25.982 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -7.447 -15.988 27.333 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -7.544 -16.940 27.327 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -7.769 -15.719 28.194 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -12.839 -18.777 25.360 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -12.127 -19.417 25.346 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -12.940 -18.510 24.446 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -2.454 -11.231 25.719 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -3.317 -11.610 25.554 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -1.850 -11.970 25.645 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.485 -12.940 19.294 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -3.552 -12.728 19.260 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -4.720 -12.838 20.217 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -4.456 -12.203 22.070 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -5.299 -11.935 22.436 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -4.013 -11.381 21.859 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -4.483 -16.258 13.907 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -4.301 -16.707 14.732 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -5.083 -16.843 13.443 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -2.653 -16.114 25.773 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -3.570 -15.843 25.737 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -2.530 -16.649 24.989 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.652 -18.024 23.592 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.465 -17.699 23.204 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.419 -18.784 23.059 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -10.222 -16.575 17.915 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -10.897 -17.204 18.170 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -9.658 -17.059 17.312 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -3.353 -17.329 16.361 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -2.741 -17.843 15.834 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -2.970 -16.451 16.384 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -13.316 -18.014 15.550 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -12.442 -17.626 15.520 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -13.452 -18.229 16.473 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -6.406 -17.958 12.892 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -7.109 -17.344 12.682 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -6.851 -18.796 13.023 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -7.543 -18.744 26.972 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.467 -19.170 27.826 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.650 -18.730 26.630 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -8.036 -14.658 29.559 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -8.974 -14.546 29.408 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -7.739 -13.801 29.865 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -2.433 -12.581 30.914 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -2.987 -12.977 30.242 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -2.332 -11.671 30.637 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.977 -12.484 28.631 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -3.880 -11.817 27.951 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.117 -13.300 28.149 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -4.729 -15.076 27.748 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -4.119 -15.448 28.385 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -5.566 -15.498 27.944 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -4.483 -16.258 32.763 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -4.301 -16.707 33.588 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -5.083 -16.843 32.299 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -2.617 -16.191 29.291 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -2.204 -16.912 28.815 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -1.935 -15.521 29.349 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -5.080 -18.468 36.883 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -4.476 -17.920 36.382 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -5.949 -18.148 36.643 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.353 -17.329 35.217 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -2.741 -17.843 34.690 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -2.970 -16.451 35.240 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -6.406 -17.958 31.748 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -7.109 -17.344 31.538 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -6.851 -18.796 31.879 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 3.297 -41.173 6.240 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 3.305 -41.309 5.292 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 2.381 -41.291 6.492 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 14.124 -37.666 7.203 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 14.324 -37.242 6.368 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 14.780 -37.323 7.810 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 4.148 -40.064 8.698 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 4.916 -40.523 9.039 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 4.127 -40.290 7.768 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 0.676 -41.985 7.194 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -0.145 -41.810 6.734 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 0.424 -42.058 8.115 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 7.941 -39.611 6.412 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 8.126 -39.945 7.290 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 8.788 -39.302 6.090 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 10.039 -46.497 15.695 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 10.128 -45.553 15.563 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 9.400 -46.772 15.037 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 8.972 -47.242 19.114 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 8.934 -47.888 19.819 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 8.649 -47.708 18.343 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 1.340 -47.627 20.707 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 1.382 -48.253 21.431 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 2.043 -47.004 20.889 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -0.416 -47.355 16.761 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -0.202 -48.125 17.288 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 0.322 -47.266 16.158 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 7.361 -44.809 19.520 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 7.665 -45.495 18.926 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 8.083 -44.691 20.138 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 10.502 -50.415 19.848 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 10.645 -51.362 19.868 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 10.396 -50.208 18.919 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 0.277 -49.917 17.882 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 0.931 -50.467 18.314 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 0.301 -50.191 16.966 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 9.836 -43.896 14.738 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 9.540 -44.218 13.887 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 9.512 -42.996 14.780 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 5.036 -45.720 21.482 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 4.296 -45.122 21.585 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 5.750 -45.166 21.166 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -0.435 -44.085 13.051 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -0.707 -43.856 12.162 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -0.390 -43.247 13.511 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 8.760 -47.253 13.147 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 8.048 -46.718 12.796 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 9.451 -47.197 12.487 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 16.129 -47.875 21.441 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 15.477 -47.180 21.530 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 16.594 -47.665 20.631 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 12.166 -47.043 14.099 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 11.434 -46.815 14.672 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 12.613 -47.757 14.554 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 12.063 -48.869 23.167 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 12.143 -48.106 23.739 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 11.462 -48.590 22.476 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 3.811 -46.413 15.982 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 3.481 -46.783 15.163 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 4.399 -47.083 16.328 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 4.178 -47.644 19.615 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 4.743 -47.523 18.852 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 4.497 -47.007 20.254 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 1.978 -47.047 23.561 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 2.048 -46.396 24.259 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 1.087 -46.944 23.226 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 8.763 -41.144 15.219 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 9.237 -40.849 15.997 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 8.200 -40.406 14.986 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 2.801 -47.343 13.571 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 2.509 -46.575 13.080 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 2.127 -48.003 13.408 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 15.925 -41.765 9.974 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 15.998 -40.826 10.144 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 16.830 -42.070 9.917 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 11.337 -39.034 10.637 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 11.712 -39.778 10.166 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 11.341 -39.304 11.555 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 11.006 -39.108 13.386 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 10.071 -39.008 13.565 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 11.286 -39.817 13.964 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 13.994 -50.041 25.432 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 13.587 -49.560 24.712 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 14.035 -50.946 25.125 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 11.751 -51.709 23.653 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 11.237 -51.835 24.450 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 11.596 -50.797 23.408 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 8.488 -49.409 25.737 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 7.925 -50.113 26.057 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 9.314 -49.529 26.204 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 1.603 -49.901 22.387 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 1.565 -49.501 23.255 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 1.112 -50.718 22.477 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 9.654 -48.500 21.734 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 9.978 -49.131 21.091 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 9.214 -49.035 22.395 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 1.722 -45.192 25.667 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 2.455 -44.938 26.228 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 0.942 -44.988 26.182 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 6.922 -45.184 12.504 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 6.178 -45.691 12.181 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 6.788 -45.135 13.450 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 8.442 -45.000 23.741 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 8.096 -45.381 24.547 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 8.242 -44.066 23.812 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 2.047 -45.889 18.273 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 2.792 -45.891 17.672 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 2.125 -46.713 18.755 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 9.048 -43.725 11.529 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 8.753 -42.899 11.911 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 8.345 -44.345 11.725 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 6.072 -47.911 25.801 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 5.776 -48.077 24.906 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 7.003 -48.131 25.791 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 14.719 -41.507 12.523 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 14.346 -42.333 12.833 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 14.996 -41.690 11.626 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 5.849 -44.708 15.254 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 5.608 -43.783 15.296 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 5.109 -45.167 15.650 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 12.111 -43.531 10.344 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 12.464 -43.911 11.148 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 11.162 -43.624 10.430 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 16.615 -39.051 10.545 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 17.358 -38.465 10.405 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 15.920 -38.483 10.878 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 12.977 -44.858 12.570 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 12.700 -45.586 13.126 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 13.904 -44.739 12.776 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 6.202 -42.419 8.791 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 6.441 -43.167 8.243 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 5.933 -42.807 9.623 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 1.592 -45.596 11.757 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 0.906 -45.244 12.324 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 2.115 -44.833 11.511 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 7.944 -50.568 23.153 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 8.063 -49.994 23.910 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 8.599 -51.256 23.268 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 12.750 -48.910 18.084 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 11.953 -49.325 17.755 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 13.195 -49.601 18.575 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 2.208 -42.982 10.654 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 2.800 -42.283 10.930 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 2.667 -43.415 9.935 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 0.262 -41.596 14.604 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -0.570 -41.123 14.631 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 0.808 -41.086 14.005 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 8.240 -40.556 8.929 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 7.596 -41.187 9.251 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 9.002 -41.087 8.697 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 12.844 -40.739 9.163 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 13.127 -41.533 9.616 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 13.584 -40.506 8.602 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -0.542 -45.173 26.888 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -0.398 -46.075 26.602 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -1.315 -44.887 26.400 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 3.799 -44.829 9.020 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 3.863 -45.623 9.551 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 4.452 -44.948 8.331 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 9.151 -43.782 8.756 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 8.883 -43.602 9.657 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 8.945 -44.708 8.625 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 0.290 -47.973 26.308 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 0.698 -48.830 26.187 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 0.030 -47.958 27.229 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 4.948 -46.857 11.326 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 4.489 -47.341 12.012 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 5.203 -47.525 10.690 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 4.237 -48.964 23.682 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 3.619 -48.289 23.963 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 4.581 -48.643 22.849 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 6.571 -47.800 22.497 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 7.322 -47.956 21.924 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 6.232 -46.948 22.221 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 10.987 -49.985 27.525 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 11.179 -50.916 27.414 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 11.844 -49.560 27.515 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 7.059 -51.461 26.252 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 6.823 -51.681 27.154 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 6.276 -51.668 25.743 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 -0.515 -43.287 10.073 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 0.399 -43.208 10.346 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 -0.508 -43.974 9.406 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -1.866 -37.894 15.150 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -2.513 -38.356 14.617 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -1.511 -38.566 15.733 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 15.868 -45.390 13.009 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 16.718 -44.969 13.137 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 15.873 -46.130 13.617 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 16.262 -47.337 14.833 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 15.536 -47.816 15.231 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 16.843 -47.131 15.565 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 14.049 -48.816 15.396 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 13.899 -49.761 15.376 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 13.695 -48.535 16.240 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 -0.916 -46.738 19.406 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 -0.732 -46.820 18.471 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 -0.067 -46.862 19.830 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 16.402 -48.943 25.719 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 15.539 -49.322 25.554 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 17.006 -49.682 25.645 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 14.371 -50.652 19.294 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 15.304 -50.440 19.260 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 14.136 -50.550 20.217 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 14.400 -49.915 22.070 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 13.557 -49.647 22.436 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 14.843 -49.093 21.859 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -1.318 -51.467 25.547 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -0.399 -51.589 25.783 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -1.768 -52.217 25.936 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -1.793 -50.156 19.507 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -1.301 -50.377 18.717 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -1.431 -49.315 19.788 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -0.302 -39.907 12.438 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -0.987 -39.945 11.770 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.299 -38.994 12.726 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 8.562 -38.697 10.835 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 9.428 -38.331 10.657 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 8.315 -39.137 10.022 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 1.516 -38.987 9.463 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 1.248 -38.700 10.336 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 2.287 -39.533 9.615 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 10.039 -46.497 34.551 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 10.128 -45.553 34.419 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 9.400 -46.772 33.893 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 12.678 -44.303 36.272 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 12.237 -45.023 36.722 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 12.665 -43.582 36.902 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 2.264 -43.177 38.098 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 1.894 -43.979 37.729 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 3.205 -43.346 38.145 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -0.416 -47.355 35.617 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -0.202 -48.125 36.144 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 0.322 -47.266 35.014 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 7.361 -44.809 38.376 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 7.665 -45.495 37.782 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 8.083 -44.691 38.994 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 3.444 -43.756 41.125 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 3.438 -42.877 40.747 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 2.590 -43.839 41.550 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 13.190 -42.463 38.620 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 12.248 -42.405 38.781 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 13.466 -41.557 38.483 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 12.601 -42.781 33.754 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 12.344 -43.471 33.142 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 12.672 -43.224 34.599 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 14.287 -44.215 42.231 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 14.427 -44.806 41.492 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 14.455 -43.342 41.875 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 8.760 -47.253 32.003 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 8.048 -46.718 31.652 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 9.451 -47.197 31.343 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 8.814 -48.795 29.042 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 9.515 -48.773 29.693 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 9.116 -49.423 28.386 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 16.129 -47.875 40.297 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 15.477 -47.180 40.386 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 16.594 -47.665 39.487 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 12.166 -47.043 32.955 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 11.434 -46.815 33.528 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 12.613 -47.757 33.410 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 3.811 -46.413 34.838 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 3.481 -46.783 34.019 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 4.399 -47.083 35.184 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 5.178 -42.985 37.519 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 5.083 -43.563 36.762 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.907 -43.356 38.015 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 10.487 -42.141 39.205 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 10.246 -41.479 39.853 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 10.289 -42.975 39.630 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 5.058 -43.245 43.188 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 4.746 -42.463 43.644 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 4.408 -43.398 42.502 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 11.037 -47.881 30.640 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 11.616 -47.731 31.387 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 11.451 -47.410 29.917 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 3.297 -41.173 43.952 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 3.305 -41.309 43.004 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 2.381 -41.291 44.204 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 2.801 -47.343 32.427 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 2.509 -46.575 31.936 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 2.127 -48.003 32.264 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 -1.106 -44.980 41.242 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 -1.607 -45.008 40.427 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -1.100 -45.886 41.552 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -1.355 -42.200 38.126 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -0.409 -42.344 38.107 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 -1.468 -41.416 38.663 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 16.842 -41.534 43.808 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 16.793 -42.489 43.771 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 16.016 -41.266 44.210 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 7.821 -41.960 42.684 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 7.908 -41.134 43.159 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 6.957 -42.290 42.933 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 1.143 -43.657 42.285 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 1.360 -44.018 43.145 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 0.288 -44.031 42.075 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 12.514 -46.848 28.270 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 12.556 -47.071 27.340 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 13.363 -46.450 28.460 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 9.386 -49.584 33.105 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 8.977 -48.769 32.813 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 10.106 -49.724 32.490 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 4.913 -50.944 31.857 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 5.845 -50.815 32.035 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 4.698 -50.274 31.208 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 3.587 -49.749 29.424 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 3.045 -50.129 28.733 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 4.421 -49.555 28.995 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 1.722 -45.192 44.523 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 2.455 -44.938 45.084 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 0.942 -44.988 45.038 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 14.072 -46.051 40.146 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 14.714 -45.594 39.603 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 13.242 -45.938 39.684 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 10.820 -52.370 29.559 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 9.882 -52.258 29.408 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 11.117 -51.513 29.865 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 8.442 -45.000 42.597 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 8.096 -45.381 43.403 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 8.242 -44.066 42.668 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 11.538 -50.503 31.220 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 12.430 -50.640 31.539 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 11.595 -49.712 30.683 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 2.047 -45.889 37.129 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 2.792 -45.891 36.528 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 2.125 -46.713 37.611 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 10.692 -42.538 42.547 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 9.791 -42.355 42.279 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 10.726 -42.279 43.468 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 16.387 -44.493 43.751 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 15.535 -44.255 43.384 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 16.977 -44.510 42.998 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 11.879 -46.699 38.401 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 10.951 -46.931 38.374 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 12.330 -47.476 38.071 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 0.177 -47.509 29.121 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 0.793 -46.882 29.500 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 -0.685 -47.193 29.392 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 5.849 -44.708 34.110 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 5.608 -43.783 34.152 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 5.109 -45.167 34.506 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 6.364 -40.559 40.425 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 6.727 -39.704 40.192 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 6.896 -40.851 41.166 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 9.908 -44.460 40.126 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 9.482 -44.687 40.952 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.489 -45.198 39.943 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 1.592 -45.596 30.613 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 0.906 -45.244 31.180 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 2.115 -44.833 30.367 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 4.148 -40.064 46.410 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 4.916 -40.523 46.751 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 4.127 -40.290 45.480 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 10.725 -41.684 45.139 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 10.374 -42.540 45.382 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 11.451 -41.541 45.746 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 3.799 -44.829 27.876 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 3.863 -45.623 28.407 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 4.452 -44.948 27.187 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 11.848 -45.287 42.560 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 12.593 -44.699 42.440 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 11.091 -44.705 42.623 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 4.948 -46.857 30.182 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 4.489 -47.341 30.868 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 5.203 -47.525 29.546 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 6.019 -48.614 28.445 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 5.839 -48.768 27.517 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 6.970 -48.506 28.489 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 15.868 -45.390 31.865 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 16.718 -44.969 31.993 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 15.873 -46.130 32.473 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 16.262 -47.337 33.689 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 15.536 -47.816 34.087 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 16.843 -47.131 34.421 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 16.530 -47.436 30.080 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 16.009 -47.079 29.361 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 16.497 -46.761 30.758 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 14.879 -50.196 28.631 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 14.976 -49.529 27.951 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 14.739 -51.012 28.149 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 -0.916 -46.738 38.262 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 -0.732 -46.820 37.327 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 -0.067 -46.862 38.686 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.676 -41.985 44.906 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 -0.145 -41.810 44.446 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.424 -42.058 45.827 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 3.630 -41.010 41.165 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 3.205 -40.201 40.882 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 4.535 -40.925 40.863 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 7.941 -39.611 44.124 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 8.126 -39.945 45.002 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 8.788 -39.302 43.802 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 5.125 -39.951 37.626 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 5.338 -40.839 37.339 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 5.190 -39.985 38.581 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 14.489 -40.383 44.521 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 13.707 -40.569 44.001 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 14.417 -39.454 44.738 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 11.337 -39.034 48.349 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 11.712 -39.778 47.878 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 11.341 -39.304 49.267 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 16.615 -39.051 48.257 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 17.358 -38.465 48.117 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 15.920 -38.483 48.590 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 8.240 -40.556 46.641 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 7.596 -41.187 46.963 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 9.002 -41.087 46.409 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 12.844 -40.739 46.875 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 13.127 -41.533 47.328 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 13.584 -40.506 46.314 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 5.917 -37.923 48.302 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 6.850 -37.765 48.446 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 5.653 -37.248 47.677 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 8.562 -38.697 48.547 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 9.428 -38.331 48.369 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 8.315 -39.137 47.734 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 1.516 -38.987 47.175 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 1.248 -38.700 48.048 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 2.287 -39.533 47.327 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 8.972 -28.386 0.258 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 8.934 -29.032 0.963 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 8.649 -28.852 -0.513 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 12.678 -25.447 -1.440 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 12.237 -26.167 -0.990 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 12.665 -24.726 -0.810 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 9.789 -20.342 -1.228 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 10.409 -21.019 -1.501 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 9.581 -20.560 -0.320 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 7.361 -25.953 0.664 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 7.665 -26.639 0.070 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 8.083 -25.835 1.282 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 5.036 -26.864 2.626 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 4.296 -26.266 2.729 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 5.750 -26.310 2.310 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 3.444 -24.900 3.413 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 3.438 -24.021 3.035 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 2.590 -24.983 3.838 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 13.190 -23.607 0.908 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 12.248 -23.549 1.069 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 13.466 -22.701 0.771 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.442 -21.826 -2.467 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 11.867 -22.533 -2.952 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 11.759 -21.025 -2.884 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 16.129 -29.019 2.585 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 15.477 -28.324 2.674 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 16.594 -28.809 1.775 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 12.063 -30.013 4.311 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 12.143 -29.250 4.883 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 11.462 -29.734 3.620 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 5.178 -24.129 -0.193 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 5.083 -24.707 -0.950 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 5.907 -24.500 0.303 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 10.487 -23.285 1.493 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 10.246 -22.623 2.141 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 10.289 -24.119 1.918 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 1.978 -28.191 4.705 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 2.048 -27.540 5.403 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 1.087 -28.088 4.370 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 3.297 -22.317 6.240 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 3.305 -22.453 5.292 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 2.381 -22.435 6.492 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 13.994 -31.185 6.576 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 13.587 -30.704 5.856 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 14.035 -32.090 6.269 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 1.143 -24.801 4.573 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 1.360 -25.162 5.433 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 0.288 -25.175 4.363 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 8.488 -30.553 6.881 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 7.925 -31.257 7.201 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 9.314 -30.673 7.348 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 1.603 -31.045 3.531 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 1.565 -30.645 4.399 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 1.112 -31.862 3.621 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 9.654 -29.644 2.878 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 9.978 -30.275 2.235 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 9.214 -30.179 3.539 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 1.722 -26.336 6.811 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 2.455 -26.082 7.372 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 0.942 -26.132 7.326 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 14.072 -27.195 2.434 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 14.714 -26.738 1.891 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 13.242 -27.082 1.972 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 -0.945 -28.572 4.732 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 -0.722 -28.990 5.564 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 -1.547 -29.185 4.310 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 6.072 -29.055 6.945 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 5.776 -29.221 6.050 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 7.003 -29.275 6.935 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 11.879 -27.843 0.689 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 10.951 -28.075 0.662 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 12.330 -28.620 0.359 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.364 -21.703 2.713 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.727 -20.848 2.480 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 6.896 -21.995 3.454 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 9.908 -25.604 2.414 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 9.482 -25.831 3.240 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.489 -26.342 2.231 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 0.689 -33.819 4.290 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 -0.204 -33.480 4.223 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 0.590 -34.674 4.708 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 7.944 -31.712 4.297 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 8.063 -31.138 5.054 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 8.599 -32.400 4.412 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 4.148 -21.208 8.698 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 4.916 -21.667 9.039 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 4.127 -21.434 7.768 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 -0.542 -26.317 8.032 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 -0.398 -27.219 7.746 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 -1.315 -26.031 7.544 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 0.290 -29.117 7.452 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 0.698 -29.974 7.331 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 0.030 -29.102 8.373 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 4.237 -30.108 4.826 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 3.619 -29.433 5.107 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 4.581 -29.787 3.993 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 4.577 -32.753 5.909 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 4.727 -33.482 5.306 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 4.579 -31.976 5.350 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 4.989 -34.383 3.401 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 5.525 -33.932 2.749 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 4.137 -34.491 2.979 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 6.571 -28.944 3.641 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 7.322 -29.100 3.068 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 6.232 -28.092 3.365 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 10.987 -31.129 8.669 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 11.179 -32.060 8.558 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 11.844 -30.704 8.659 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 12.303 -28.340 6.747 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 12.022 -27.631 6.169 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 13.246 -28.413 6.596 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 7.059 -32.605 7.396 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 6.823 -32.825 8.298 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 6.276 -32.812 6.887 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 9.775 -33.478 6.472 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 8.827 -33.446 6.604 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 10.087 -34.103 7.126 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 11.409 -34.844 8.477 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 11.312 -35.796 8.471 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 11.087 -34.575 9.338 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 6.017 -37.633 6.504 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 6.729 -38.273 6.490 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 5.916 -37.366 5.590 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 6.370 -35.950 8.558 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 6.239 -36.426 7.737 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 5.771 -35.206 8.502 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 16.021 -25.696 0.925 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 16.855 -26.074 0.644 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 16.133 -24.753 0.806 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 14.905 -27.990 6.179 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 15.488 -28.724 6.370 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 15.469 -27.218 6.225 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 16.402 -30.087 6.863 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 15.539 -30.466 6.698 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 17.006 -30.826 6.789 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -1.318 -32.611 6.691 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 -0.399 -32.733 6.927 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 -1.768 -33.361 7.080 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 16.683 -37.079 8.568 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 17.033 -37.733 7.962 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 16.830 -36.242 8.128 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 16.203 -34.970 6.917 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 15.286 -34.699 6.881 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 16.326 -35.505 6.133 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 13.291 -20.058 -3.349 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 13.944 -20.405 -3.957 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 13.802 -19.569 -2.703 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 0.676 -23.129 7.194 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 -0.145 -22.954 6.734 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 0.424 -23.202 8.115 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 3.630 -22.154 3.453 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 3.205 -21.345 3.170 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 4.535 -22.069 3.151 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 8.210 -19.410 1.706 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 7.753 -18.881 1.052 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 8.373 -18.807 2.431 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 15.271 -20.278 -5.341 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 15.077 -21.026 -5.906 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 15.232 -19.520 -5.925 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 0.918 -36.283 6.398 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 0.552 -37.048 6.841 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 1.831 -36.254 6.685 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 2.891 -36.932 7.934 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 3.790 -37.206 7.749 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 2.505 -37.675 8.398 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 11.313 -37.600 8.116 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 11.389 -38.026 8.970 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 12.206 -37.586 7.774 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 1.889 -20.543 15.415 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 2.041 -20.891 16.294 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 1.038 -20.899 15.160 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 8.087 -34.116 10.084 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.833 -34.097 11.007 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 7.830 -34.988 9.783 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 2.208 -24.126 10.654 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 2.800 -23.427 10.930 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 2.667 -24.559 9.935 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 3.799 -25.973 9.020 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 3.863 -26.767 9.551 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 4.452 -26.092 8.331 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 5.917 -19.067 10.590 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 6.850 -18.909 10.734 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 5.653 -18.392 9.965 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 -0.515 -24.431 10.073 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 0.399 -24.352 10.346 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 -0.508 -25.118 9.406 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 -1.866 -19.038 15.150 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 -2.513 -19.500 14.617 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 -1.511 -19.710 15.733 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 -0.996 -20.957 16.955 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 -1.330 -21.838 17.127 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 -0.774 -20.612 17.819 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 14.879 -31.340 9.775 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 14.976 -30.673 9.095 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 14.739 -32.156 9.293 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 14.127 -33.932 8.892 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 14.737 -34.304 9.529 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 13.290 -34.354 9.088 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 -0.203 -36.999 11.540 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 0.236 -36.388 10.949 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 -0.837 -36.461 12.014 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 -0.302 -21.051 12.438 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 -0.987 -21.089 11.770 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 -0.299 -20.138 12.726 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 8.562 -19.841 10.835 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 9.428 -19.475 10.657 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 8.315 -20.281 10.022 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 1.516 -20.131 9.463 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 1.248 -19.844 10.336 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 2.287 -20.677 9.615 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 1.340 -28.771 39.563 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 1.382 -29.397 40.287 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 2.043 -28.148 39.745 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 2.264 -24.321 38.098 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.894 -25.123 37.729 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 3.205 -24.490 38.145 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 5.036 -26.864 40.338 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 4.296 -26.266 40.441 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 5.750 -26.310 40.022 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 3.444 -24.900 41.125 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 3.438 -24.021 40.747 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 2.590 -24.983 41.550 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 5.058 -24.389 43.188 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 4.746 -23.607 43.644 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 4.408 -24.542 42.502 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 1.978 -28.191 42.417 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 2.048 -27.540 43.115 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 1.087 -28.088 42.082 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 -1.106 -26.124 41.242 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 -1.607 -26.152 40.427 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 -1.100 -27.030 41.552 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 -1.355 -23.344 38.126 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 -0.409 -23.488 38.107 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 -1.468 -22.560 38.663 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 16.842 -22.678 43.808 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 16.793 -23.633 43.771 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 16.016 -22.410 44.210 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 7.821 -23.104 42.684 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 7.908 -22.278 43.159 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 6.957 -23.434 42.933 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 1.889 -20.543 34.271 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 2.041 -20.891 35.150 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 1.038 -20.899 34.016 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 14.124 -18.810 44.915 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 14.324 -18.386 44.080 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 14.780 -18.467 45.522 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 2.047 -27.033 37.129 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 2.792 -27.035 36.528 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 2.125 -27.857 37.611 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 -0.945 -28.572 42.444 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 -0.722 -28.990 43.276 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 -1.547 -29.185 42.022 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 6.072 -29.055 44.657 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 5.776 -29.221 43.762 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 7.003 -29.275 44.647 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 10.692 -23.682 42.547 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 9.791 -23.499 42.279 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 10.726 -23.423 43.468 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 14.719 -22.651 31.379 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 14.346 -23.477 31.689 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 14.996 -22.834 30.482 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 6.364 -21.703 40.425 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 6.727 -20.848 40.192 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.896 -21.995 41.166 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 12.567 -21.052 42.595 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 11.965 -21.607 42.100 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 12.848 -20.385 41.969 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 13.837 -20.798 38.562 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 13.681 -20.120 37.905 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 14.769 -20.726 38.765 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 10.725 -22.828 45.139 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 10.374 -23.684 45.382 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 11.451 -22.685 45.746 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 6.113 -26.347 45.177 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 5.785 -26.076 44.319 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 6.265 -27.288 45.089 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 0.290 -29.117 45.164 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 0.698 -29.974 45.043 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 0.030 -29.102 46.085 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 4.237 -30.108 42.538 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 3.619 -29.433 42.819 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 4.581 -29.787 41.705 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 11.409 -34.844 46.189 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 11.312 -35.796 46.183 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 11.087 -34.575 47.050 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 1.236 -33.634 45.237 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 1.447 -34.341 44.626 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 1.124 -34.072 46.081 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 -0.996 -20.957 35.811 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 -1.330 -21.838 35.983 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 -0.774 -20.612 36.675 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 16.553 -20.148 38.791 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 16.531 -19.963 39.730 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 17.243 -19.579 38.450 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 16.116 -20.581 41.713 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 15.629 -21.316 41.342 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 16.665 -20.974 42.391 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 14.508 -22.818 40.944 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 13.860 -22.493 41.569 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 13.990 -23.258 40.269 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 -0.916 -27.882 38.262 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 -0.732 -27.964 37.327 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 -0.067 -28.006 38.686 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 -1.318 -32.611 44.403 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 -0.399 -32.733 44.639 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 -1.768 -33.361 44.792 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 16.683 -37.079 46.280 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 17.033 -37.733 45.674 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 16.830 -36.242 45.840 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 16.203 -34.970 44.629 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 15.286 -34.699 44.593 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 16.326 -35.505 43.845 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 3.630 -22.154 41.165 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 3.205 -21.345 40.882 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 4.535 -22.069 40.863 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 8.210 -19.410 39.418 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 7.753 -18.881 38.764 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 8.373 -18.807 40.143 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 10.537 -20.532 40.363 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 9.633 -20.367 40.097 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 10.966 -19.679 40.297 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 13.142 -18.962 40.658 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 12.960 -18.046 40.447 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 13.318 -19.372 39.811 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 0.447 -20.275 38.123 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 0.428 -20.700 38.980 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 1.252 -20.593 37.714 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 2.588 -21.565 36.778 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 2.369 -22.481 36.947 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.412 -21.425 37.244 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 5.125 -21.095 37.626 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 5.338 -21.983 37.339 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 5.190 -21.129 38.581 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 2.891 -36.932 45.646 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 3.790 -37.206 45.461 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 2.505 -37.675 46.110 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 11.313 -37.600 45.828 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 11.389 -38.026 46.682 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 12.206 -37.586 45.486 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 14.489 -21.527 44.521 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 13.707 -21.713 44.001 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 14.417 -20.598 44.738 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 8.760 -28.397 50.859 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 8.048 -27.862 50.508 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 9.451 -28.341 50.199 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 8.814 -29.939 47.898 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 9.515 -29.917 48.549 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 9.116 -30.567 47.242 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 12.166 -28.187 51.811 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 11.434 -27.959 52.384 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 12.613 -28.901 52.266 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 11.037 -29.025 49.496 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 11.616 -28.875 50.243 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 11.451 -28.554 48.773 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 14.735 -37.275 49.309 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 13.836 -37.136 49.604 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 14.987 -36.444 48.907 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 15.925 -22.909 47.686 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 15.998 -21.970 47.856 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 16.830 -23.214 47.629 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 8.087 -34.116 47.796 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 7.833 -34.097 48.719 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 7.830 -34.988 47.495 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 4.913 -32.088 50.713 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 5.845 -31.959 50.891 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 4.698 -31.418 50.064 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 3.587 -30.893 48.280 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 3.045 -31.273 47.589 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 4.421 -30.699 47.851 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 6.922 -26.328 50.216 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 6.178 -26.835 49.893 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 6.788 -26.279 51.162 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 10.820 -33.514 48.415 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 9.882 -33.402 48.264 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 11.117 -32.657 48.721 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 11.538 -31.647 50.076 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 12.430 -31.784 50.395 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 11.595 -30.856 49.539 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 9.048 -24.869 49.241 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 8.753 -24.043 49.623 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 8.345 -25.489 49.437 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 16.423 -31.437 49.770 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 15.869 -31.833 49.098 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 16.524 -30.527 49.493 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 14.719 -22.651 50.235 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 14.346 -23.477 50.545 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 14.996 -22.834 49.338 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 12.111 -24.675 48.056 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 12.464 -25.055 48.860 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 11.162 -24.768 48.142 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 12.977 -26.002 50.282 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 12.700 -26.730 50.838 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 13.904 -25.883 50.488 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 6.202 -23.563 46.503 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 6.441 -24.311 45.955 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 5.933 -23.951 47.335 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 10.208 -34.426 50.845 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 10.428 -33.954 50.042 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 10.766 -34.031 51.516 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 7.408 -32.698 51.680 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 8.220 -32.194 51.726 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 7.163 -32.843 52.594 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 3.949 -34.554 49.306 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 3.866 -33.665 49.652 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 4.839 -34.819 49.537 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 0.524 -31.462 47.482 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 0.479 -30.523 47.661 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 -0.364 -31.698 47.212 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 8.240 -21.700 46.641 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 7.596 -22.331 46.963 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 9.002 -22.231 46.409 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 12.844 -21.883 46.875 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 13.127 -22.677 47.328 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 13.584 -21.650 46.314 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 3.799 -25.973 46.732 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 3.863 -26.767 47.263 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 4.452 -26.092 46.043 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 9.151 -24.926 46.468 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 8.883 -24.746 47.369 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 8.945 -25.852 46.337 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 4.948 -28.001 49.038 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 4.489 -28.485 49.724 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 5.203 -28.669 48.402 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 6.019 -29.758 47.301 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 5.839 -29.912 46.373 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 6.970 -29.650 47.345 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 15.868 -26.534 50.721 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 16.718 -26.113 50.849 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 15.873 -27.274 51.329 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 16.262 -28.481 52.545 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 15.536 -28.960 52.943 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 16.843 -28.275 53.277 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 16.530 -28.580 48.936 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 16.009 -28.223 48.217 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 16.497 -27.905 49.614 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 14.879 -31.340 47.487 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 14.976 -30.673 46.807 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 14.739 -32.156 47.005 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 14.127 -33.932 46.604 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 14.737 -34.304 47.241 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 13.290 -34.354 46.800 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 16.239 -35.047 48.147 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 16.652 -35.768 47.671 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 16.921 -34.377 48.205 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 1.658 -35.083 47.695 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 2.149 -35.713 47.167 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 2.281 -34.787 48.358 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 6.684 -34.790 50.152 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 6.862 -35.436 50.835 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 6.630 -33.956 50.619 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 8.972 -9.530 0.258 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 8.934 -10.176 0.963 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 8.649 -9.996 -0.513 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 10.502 -12.703 0.992 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 10.645 -13.650 1.012 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 10.396 -12.496 0.063 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 13.143 -15.180 -1.354 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 12.928 -15.946 -0.822 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 13.799 -14.708 -0.841 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 6.493 -18.378 -0.209 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 6.376 -19.327 -0.263 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 5.638 -18.046 0.064 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 14.287 -6.503 4.519 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 14.427 -7.094 3.780 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 14.455 -5.630 4.163 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 16.129 -10.163 2.585 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 15.477 -9.468 2.674 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 16.594 -9.953 1.775 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 16.842 -3.822 6.096 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 16.793 -4.777 6.059 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.016 -3.554 6.498 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 8.425 -17.753 3.943 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 8.845 -18.168 4.696 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 7.492 -17.931 4.060 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 3.853 -12.509 1.664 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 3.211 -12.550 2.373 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 3.890 -11.583 1.426 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 10.390 -12.426 -1.793 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 10.195 -11.821 -2.508 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 10.572 -13.260 -2.228 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 10.837 -15.626 0.926 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 10.160 -15.495 1.590 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 10.351 -15.781 0.116 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 14.124 0.046 7.203 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 14.324 0.470 6.368 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 14.780 0.389 7.810 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 7.752 -12.073 -0.451 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 8.316 -12.620 -0.998 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 7.604 -12.595 0.338 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 6.378 -13.685 1.963 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 5.543 -13.231 2.073 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 6.902 -13.409 2.715 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 14.072 -8.339 2.434 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 14.714 -7.882 1.891 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 13.242 -8.226 1.972 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 8.442 -7.288 4.885 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 8.096 -7.669 5.691 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 8.242 -6.354 4.956 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 6.072 -10.199 6.945 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 5.776 -10.365 6.050 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 7.003 -10.419 6.935 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.692 -4.826 4.835 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 9.791 -4.643 4.567 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 10.726 -4.567 5.756 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 16.387 -6.781 6.039 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 15.535 -6.543 5.672 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 16.977 -6.798 5.286 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 11.879 -8.987 0.689 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 10.951 -9.219 0.662 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 12.330 -9.764 0.359 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 9.908 -6.748 2.414 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 9.482 -6.975 3.240 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 10.489 -7.486 2.231 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 12.567 -2.196 4.883 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 11.965 -2.751 4.388 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 12.848 -1.529 4.257 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 12.750 -11.198 -0.772 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 11.953 -11.613 -1.101 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 13.195 -11.889 -0.281 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 10.725 -3.972 7.427 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 10.374 -4.828 7.670 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 11.451 -3.829 8.034 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 6.113 -7.491 7.465 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 5.785 -7.220 6.607 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 6.265 -8.432 7.377 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 11.848 -7.575 4.848 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 12.593 -6.987 4.728 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 11.091 -6.993 4.911 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 4.237 -11.252 4.826 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 3.619 -10.577 5.107 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 4.581 -10.931 3.993 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 9.257 -8.781 8.104 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 10.210 -8.697 8.076 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 9.097 -9.492 8.723 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 4.577 -13.897 5.909 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 4.727 -14.626 5.306 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 4.579 -13.120 5.350 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 4.989 -15.527 3.401 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 5.525 -15.076 2.749 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 4.137 -15.635 2.979 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 6.571 -10.088 3.641 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 7.322 -10.244 3.068 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 6.232 -9.236 3.365 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 3.055 -12.699 7.820 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 2.288 -13.231 7.610 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 3.734 -13.009 7.221 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 5.795 -18.071 3.833 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 5.697 -17.124 3.727 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 5.052 -18.443 3.357 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 6.017 -18.777 6.504 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 6.729 -19.417 6.490 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 5.916 -18.510 5.590 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 6.370 -17.094 8.558 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 6.239 -17.570 7.737 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 5.771 -16.350 8.502 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 16.116 -1.725 4.001 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 15.629 -2.460 3.630 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 16.665 -2.118 4.679 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 16.021 -6.840 0.925 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 16.855 -7.218 0.644 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 16.133 -5.897 0.806 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 14.508 -3.962 3.232 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 13.860 -3.637 3.857 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 13.990 -4.402 2.557 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 14.371 -12.940 0.438 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 15.304 -12.728 0.404 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 14.136 -12.838 1.361 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 14.373 -16.258 -4.949 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 14.555 -16.707 -4.124 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 13.773 -16.843 -5.413 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 10.286 -0.614 5.656 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 10.963 -1.246 5.416 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 10.608 -0.212 6.464 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 8.634 -16.575 -0.941 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 7.959 -17.204 -0.686 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 9.198 -17.059 -1.544 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 15.503 -17.329 -2.495 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 16.115 -17.843 -3.022 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 15.886 -16.451 -2.472 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 11.097 -17.984 -1.657 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 11.173 -17.889 -2.606 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 10.821 -18.892 -1.528 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 2.891 -18.076 7.934 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 3.790 -18.350 7.749 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 2.505 -18.819 8.398 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 10.039 -8.785 15.695 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 10.128 -7.841 15.563 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 9.400 -9.060 15.037 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 8.972 -9.530 19.114 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.934 -10.176 19.819 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 8.649 -9.996 18.343 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 1.340 -9.915 20.707 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 1.382 -10.541 21.431 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 2.043 -9.292 20.889 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 10.502 -12.703 19.848 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 10.645 -13.650 19.868 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 10.396 -12.496 18.919 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 3.657 -14.602 17.120 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 3.700 -13.742 16.702 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 3.199 -15.154 16.487 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 11.379 -14.471 15.521 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 12.025 -14.800 16.146 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 11.889 -13.953 14.898 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 0.277 -12.205 17.882 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 0.931 -12.755 18.314 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 0.301 -12.479 16.966 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 5.433 -10.655 17.098 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 6.049 -11.181 17.607 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 4.847 -11.295 16.694 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 9.836 -6.184 14.738 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.540 -6.506 13.887 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 9.512 -5.284 14.780 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 13.143 -15.180 17.502 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 12.928 -15.946 18.034 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 13.799 -14.708 18.015 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 11.442 -2.970 16.389 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 11.867 -3.677 15.904 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 11.759 -2.169 15.972 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 12.601 -5.069 14.898 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 12.344 -5.759 14.286 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 12.672 -5.512 15.743 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 14.287 -6.503 23.375 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 14.427 -7.094 22.636 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 14.455 -5.630 23.019 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 8.760 -9.541 13.147 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 8.048 -9.006 12.796 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 9.451 -9.485 12.487 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 8.814 -11.083 10.186 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 9.515 -11.061 10.837 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 9.116 -11.711 9.530 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 12.166 -9.331 14.099 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 11.434 -9.103 14.672 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 12.613 -10.045 14.554 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 4.178 -9.932 19.615 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 4.743 -9.811 18.852 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 4.497 -9.295 20.254 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 10.487 -4.429 20.349 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 10.246 -3.767 20.997 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 10.289 -5.263 20.774 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 11.037 -10.169 11.784 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 11.616 -10.019 12.531 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 11.451 -9.698 11.061 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 1.978 -9.335 23.561 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 2.048 -8.684 24.259 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 1.087 -9.232 23.226 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 8.763 -3.432 15.219 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 9.237 -3.137 15.997 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 8.200 -2.694 14.986 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 16.842 -3.822 24.952 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 16.793 -4.777 24.915 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 16.016 -3.554 25.354 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 11.337 -1.322 10.637 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.712 -2.066 10.166 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.341 -1.592 11.555 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 11.006 -1.396 13.386 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 10.071 -1.296 13.565 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 11.286 -2.105 13.964 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 8.087 -15.260 10.084 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 7.833 -15.241 11.007 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 7.830 -16.132 9.783 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 3.853 -12.509 20.520 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 3.211 -12.550 21.229 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 3.890 -11.583 20.282 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 3.850 -12.288 15.432 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 2.957 -12.629 15.373 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 4.301 -12.665 14.676 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 9.386 -11.872 14.249 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 8.977 -11.057 13.957 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 10.106 -12.012 13.634 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 10.390 -12.426 17.063 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 10.195 -11.821 16.348 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 10.572 -13.260 16.628 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 1.603 -12.189 22.387 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 1.565 -11.789 23.255 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 1.112 -13.006 22.477 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 4.969 -14.815 9.185 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 4.538 -15.260 9.915 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 4.251 -14.443 8.673 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 -1.789 -15.073 16.237 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 -1.158 -15.102 16.957 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 -1.339 -15.498 15.507 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 9.654 -10.788 21.734 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 9.978 -11.419 21.091 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 9.214 -11.323 22.395 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 1.260 -13.232 15.345 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 0.371 -13.132 15.005 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 1.556 -14.074 14.999 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 4.913 -13.232 13.001 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 5.845 -13.103 13.179 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 4.698 -12.562 12.352 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 3.587 -12.037 10.568 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 3.045 -12.417 9.877 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 4.421 -11.843 10.139 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 7.752 -12.073 18.405 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 8.316 -12.620 17.858 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 7.604 -12.595 19.194 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 2.754 -15.937 14.823 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 2.437 -16.839 14.788 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 3.535 -15.935 14.271 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 8.442 -7.288 23.741 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 8.096 -7.669 24.547 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 8.242 -6.354 23.812 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 11.538 -12.791 12.364 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 12.430 -12.928 12.683 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 11.595 -12.000 11.827 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 9.048 -6.013 11.529 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 8.753 -5.187 11.911 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 8.345 -6.633 11.725 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 -0.945 -9.716 23.588 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 -0.722 -10.134 24.420 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 -1.547 -10.329 23.166 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 6.072 -10.199 25.801 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 5.776 -10.365 24.906 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 7.003 -10.419 25.791 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 10.692 -4.826 23.691 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 9.791 -4.643 23.423 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 10.726 -4.567 24.612 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 11.879 -8.987 19.545 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 10.951 -9.219 19.518 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 12.330 -9.764 19.215 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 9.908 -6.748 21.270 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 9.482 -6.975 22.096 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 10.489 -7.486 21.087 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 10.208 -15.570 13.133 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 10.428 -15.098 12.330 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 10.766 -15.175 13.804 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 7.877 -3.439 11.996 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 7.060 -2.942 12.049 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 8.406 -2.964 11.356 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 7.408 -13.842 13.968 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 8.220 -13.338 14.014 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 7.163 -13.987 14.882 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 3.949 -15.698 11.594 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 3.866 -14.809 11.940 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 4.839 -15.963 11.825 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 12.750 -11.198 18.084 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 11.953 -11.613 17.755 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 13.195 -11.889 18.575 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 13.837 -1.942 19.706 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 13.681 -1.264 19.049 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 14.769 -1.870 19.909 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 8.240 -2.844 8.929 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 7.596 -3.475 9.251 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 9.002 -3.375 8.697 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 9.151 -6.070 8.756 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.883 -5.890 9.657 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 8.945 -6.996 8.625 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 11.848 -7.575 23.704 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 12.593 -6.987 23.584 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 11.091 -6.993 23.767 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 0.290 -10.261 26.308 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 0.698 -11.118 26.187 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 0.030 -10.246 27.229 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 4.237 -11.252 23.682 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 3.619 -10.577 23.963 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 4.581 -10.931 22.849 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 6.019 -10.902 9.589 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 5.839 -11.056 8.661 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 6.970 -10.794 9.633 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 9.257 -8.781 26.960 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 10.210 -8.697 26.932 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 9.097 -9.492 27.579 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 6.571 -10.088 22.497 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 7.322 -10.244 21.924 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 6.232 -9.236 22.221 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 3.055 -12.699 26.676 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 2.288 -13.231 26.466 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 3.734 -13.009 26.077 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 16.553 -1.292 19.935 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 16.531 -1.107 20.874 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 17.243 -0.723 19.594 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 16.116 -1.725 22.857 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 15.629 -2.460 22.486 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 16.665 -2.118 23.535 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 14.567 -5.935 27.495 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 13.701 -6.040 27.889 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 14.943 -5.176 27.942 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 14.508 -3.962 22.088 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 13.860 -3.637 22.713 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 13.990 -4.402 21.413 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 14.049 -11.104 15.396 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 13.899 -12.049 15.376 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 13.695 -10.823 16.240 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 13.759 -13.521 13.858 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 14.039 -14.428 13.983 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 14.518 -13.087 13.469 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 -1.318 -13.755 25.547 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 -0.399 -13.877 25.783 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 -1.768 -14.505 25.936 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 -0.097 -15.443 18.438 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 0.348 -16.235 18.740 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 0.369 -14.727 18.869 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 -1.793 -12.444 19.507 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 -1.301 -12.665 18.717 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 -1.431 -11.603 19.788 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 13.291 -1.202 15.507 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 13.944 -1.549 14.899 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 13.802 -0.713 16.153 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 13.142 -0.106 21.802 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 12.960 0.810 21.591 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 13.318 -0.516 20.955 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 0.960 -17.941 15.737 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 0.183 -18.175 15.229 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 1.491 -18.738 15.745 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.684 -15.934 12.440 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 6.862 -16.580 13.123 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 6.630 -15.100 12.907 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 8.562 -0.985 10.835 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 9.428 -0.619 10.657 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 8.315 -1.425 10.022 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 15.271 -1.422 13.515 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 15.077 -2.170 12.950 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 15.232 -0.664 12.931 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 3.657 -14.602 35.976 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 3.700 -13.742 35.558 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 3.199 -15.154 35.343 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 11.379 -14.471 34.377 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 12.025 -14.800 35.002 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 11.889 -13.953 33.754 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 13.143 -15.180 36.358 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 12.928 -15.946 36.890 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 13.799 -14.708 36.871 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 6.493 -18.378 37.503 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 6.376 -19.327 37.449 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 5.638 -18.046 37.776 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 8.814 -11.083 29.042 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 9.515 -11.061 29.693 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 9.116 -11.711 28.386 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 12.166 -9.331 32.955 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 11.434 -9.103 33.528 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 12.613 -10.045 33.410 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 11.037 -10.169 30.640 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 11.616 -10.019 31.387 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 11.451 -9.698 29.917 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 3.762 -17.475 38.281 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 2.901 -17.562 37.873 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 3.740 -16.619 38.708 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 12.514 -9.136 28.270 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 12.556 -9.359 27.340 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 13.363 -8.738 28.460 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 9.386 -11.872 33.105 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 8.977 -11.057 32.813 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 10.106 -12.012 32.490 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 10.390 -12.426 35.919 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 10.195 -11.821 35.204 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 10.572 -13.260 35.484 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 -1.789 -15.073 35.093 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 -1.158 -15.102 35.813 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 -1.339 -15.498 34.363 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 -0.514 -14.327 30.517 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 -0.040 -13.736 29.932 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 -1.232 -13.796 30.864 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 6.432 -14.861 35.374 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 5.521 -14.804 35.663 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 6.937 -14.921 36.185 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 1.260 -13.232 34.201 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 0.371 -13.132 33.861 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 1.556 -14.074 33.855 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 4.913 -13.232 31.857 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 5.845 -13.103 32.035 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 4.698 -12.562 31.208 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 3.587 -12.037 29.424 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 3.045 -12.417 28.733 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 4.421 -11.843 28.995 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 2.754 -15.937 33.679 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 2.437 -16.839 33.644 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 3.535 -15.935 33.127 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 11.538 -12.791 31.220 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 12.430 -12.928 31.539 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 11.595 -12.000 30.683 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 7.408 -13.842 32.824 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 8.220 -13.338 32.870 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 7.163 -13.987 33.738 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 8.292 -16.761 33.762 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 7.945 -16.143 34.407 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 8.950 -16.260 33.281 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 0.524 -12.606 28.626 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 0.479 -11.667 28.805 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 -0.364 -12.842 28.356 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 1.332 -17.824 37.299 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 1.103 -17.765 36.372 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 0.889 -18.616 37.606 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 6.019 -10.902 28.445 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 5.839 -11.056 27.517 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.970 -10.794 28.489 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 15.409 -8.547 27.890 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 15.136 -8.972 27.077 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 15.449 -7.616 27.673 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 15.868 -7.678 31.865 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 16.718 -7.257 31.993 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 15.873 -8.418 32.473 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 16.262 -9.625 33.689 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 15.536 -10.104 34.087 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 16.843 -9.419 34.421 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 16.530 -9.724 30.080 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 16.009 -9.367 29.361 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 16.497 -9.049 30.758 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 14.049 -11.104 34.252 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 13.899 -12.049 34.232 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 13.695 -10.823 35.096 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 -1.480 -16.186 32.418 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 -2.405 -15.977 32.288 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 -1.026 -15.702 31.728 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 8.634 -16.575 36.771 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 7.959 -17.204 37.026 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 9.198 -17.059 36.168 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 13.776 -18.468 36.883 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 14.380 -17.920 36.382 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 12.907 -18.148 36.643 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 15.503 -17.329 35.217 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 16.115 -17.843 34.690 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 15.886 -16.451 35.240 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 0.960 -17.941 34.593 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 0.183 -18.175 34.085 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 1.491 -18.738 34.601 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 5.540 -18.014 34.406 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 6.414 -17.626 34.376 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.404 -18.229 35.329 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 11.097 -17.984 36.055 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 11.173 -17.889 35.106 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 10.821 -18.892 36.184 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 6.684 -15.934 31.296 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 6.862 -16.580 31.979 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 6.630 -15.100 31.763 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 16.683 0.633 8.568 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 17.033 -0.021 7.962 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 16.830 1.470 8.128 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.204 0.832 4.736 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 14.391 1.157 4.348 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.437 0.072 4.203 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 11.313 0.112 8.116 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 11.389 -0.314 8.970 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 12.206 0.126 7.774 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 14.735 0.437 11.597 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 13.836 0.576 11.892 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 14.987 1.268 11.195 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 14.373 2.598 13.907 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 14.555 2.149 14.732 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 13.773 2.013 13.443 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 16.239 2.665 10.435 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 16.652 1.944 9.959 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 16.921 3.335 10.493 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 13.776 0.388 18.027 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 14.380 0.936 17.526 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 12.907 0.708 17.787 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 15.503 1.527 16.361 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 16.115 1.013 15.834 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 15.886 2.405 16.384 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 12.450 0.898 12.892 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 11.747 1.512 12.682 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 12.005 0.060 13.023 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 18.407 -38.983 7.078 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 18.947 -39.200 7.837 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 17.926 -39.789 6.888 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 20.196 -47.627 20.707 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 20.238 -48.253 21.431 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 20.899 -47.004 20.889 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 18.440 -47.355 16.761 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 18.654 -48.125 17.288 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 19.178 -47.266 16.158 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 28.645 -39.198 17.628 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 29.265 -39.875 17.355 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 28.437 -39.416 18.536 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 26.217 -44.809 19.520 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 26.521 -45.495 18.926 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 26.939 -44.691 20.138 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 23.892 -45.720 21.482 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 23.152 -45.122 21.585 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 24.606 -45.166 21.166 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 18.421 -44.085 13.051 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 18.149 -43.856 12.162 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 18.466 -43.247 13.511 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 22.667 -46.413 15.982 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 22.337 -46.783 15.163 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 23.255 -47.083 16.328 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 23.034 -47.644 19.615 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 23.599 -47.523 18.852 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 23.353 -47.007 20.254 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 29.343 -42.141 20.349 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 29.102 -41.479 20.997 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 29.145 -42.975 20.774 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 20.834 -47.047 23.561 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 20.904 -46.396 24.259 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 19.943 -46.944 23.226 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 27.619 -41.144 15.219 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 28.093 -40.849 15.997 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 27.056 -40.406 14.986 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 27.091 -38.188 13.634 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 27.016 -38.309 12.688 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 27.124 -37.238 13.753 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 20.578 -45.192 25.667 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 21.311 -44.938 26.228 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 19.798 -44.988 26.182 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 27.298 -45.000 23.741 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 26.952 -45.381 24.547 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 27.098 -44.066 23.812 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 20.903 -45.889 18.273 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 21.648 -45.891 17.672 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 20.981 -46.713 18.755 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 17.911 -47.428 23.588 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 18.134 -47.846 24.420 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 17.309 -48.041 23.166 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 29.548 -42.538 23.691 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 28.647 -42.355 23.423 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 29.582 -42.279 24.612 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 23.278 -42.371 15.678 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 23.805 -41.598 15.477 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 22.398 -42.146 15.376 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 24.705 -44.708 15.254 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 24.464 -43.783 15.296 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 23.965 -45.167 15.650 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 28.764 -44.460 21.270 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 28.338 -44.687 22.096 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 29.345 -45.198 21.087 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 31.423 -39.908 23.739 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 30.821 -40.463 23.244 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 31.704 -39.241 23.113 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 23.995 -42.849 11.247 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 24.142 -43.369 12.037 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 23.992 -41.942 11.553 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 20.448 -45.596 11.757 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 19.762 -45.244 12.324 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 20.971 -44.833 11.511 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 24.071 -40.108 11.978 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 24.232 -39.308 11.477 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 23.874 -39.801 12.863 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 21.064 -42.982 10.654 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 21.656 -42.283 10.930 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 21.523 -43.415 9.935 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 29.581 -41.684 26.283 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 29.230 -42.540 26.526 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 30.307 -41.541 26.890 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 24.969 -45.203 26.321 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 24.641 -44.932 25.463 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 25.121 -46.144 26.233 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 30.704 -45.287 23.704 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 31.449 -44.699 23.584 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 29.947 -44.705 23.767 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 19.146 -47.973 26.308 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 19.554 -48.830 26.187 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 18.886 -47.958 27.229 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 23.093 -48.964 23.682 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 22.475 -48.289 23.963 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 23.437 -48.643 22.849 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 25.427 -47.800 22.497 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 26.178 -47.956 21.924 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 25.088 -46.948 22.221 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 24.773 -37.923 10.590 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 25.706 -37.765 10.734 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 24.509 -37.248 9.965 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 18.341 -43.287 10.073 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 19.255 -43.208 10.346 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 18.348 -43.974 9.406 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 17.940 -46.738 19.406 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 18.124 -46.820 18.471 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 18.789 -46.862 19.830 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 17.063 -50.156 19.507 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 17.555 -50.377 18.717 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 17.425 -49.315 19.788 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 29.142 -38.326 24.512 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 29.819 -38.958 24.272 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 29.464 -37.924 25.320 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 27.066 -38.266 20.562 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 26.609 -37.737 19.908 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 27.229 -37.663 21.287 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 29.393 -39.388 21.507 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 28.489 -39.223 21.241 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 29.822 -38.535 21.441 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 20.372 -38.987 9.463 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 20.104 -38.700 10.336 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 21.143 -39.533 9.615 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 20.196 -47.627 39.563 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 20.238 -48.253 40.287 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 20.899 -47.004 39.745 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 18.440 -47.355 35.617 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 18.654 -48.125 36.144 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 19.178 -47.266 35.014 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 28.645 -39.198 36.484 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 29.265 -39.875 36.211 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 28.437 -39.416 37.392 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 26.217 -44.809 38.376 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 26.521 -45.495 37.782 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 26.939 -44.691 38.994 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 28.692 -43.896 33.594 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 28.396 -44.218 32.743 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 28.368 -42.996 33.636 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 23.892 -45.720 40.338 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 23.152 -45.122 40.441 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 24.606 -45.166 40.022 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 22.300 -43.756 41.125 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 22.294 -42.877 40.747 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 21.446 -43.839 41.550 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 18.421 -44.085 31.907 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 18.149 -43.856 31.018 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 18.466 -43.247 32.367 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 22.667 -46.413 34.838 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 22.337 -46.783 34.019 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 23.255 -47.083 35.184 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 24.034 -42.985 37.519 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 23.939 -43.563 36.762 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 24.763 -43.356 38.015 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 23.034 -47.644 38.471 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 23.599 -47.523 37.708 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 23.353 -47.007 39.110 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 23.914 -43.245 43.188 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 23.602 -42.463 43.644 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 23.264 -43.398 42.502 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 20.834 -47.047 42.417 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 20.904 -46.396 43.115 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 19.943 -46.944 42.082 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 27.619 -41.144 34.075 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 28.093 -40.849 34.853 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 27.056 -40.406 33.842 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 22.153 -41.173 43.952 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 22.161 -41.309 43.004 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 21.237 -41.291 44.204 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 21.657 -47.343 32.427 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 21.365 -46.575 31.936 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 20.983 -48.003 32.264 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 17.750 -44.980 41.242 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 17.249 -45.008 40.427 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 17.756 -45.886 41.552 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 27.091 -38.188 32.490 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 27.016 -38.309 31.544 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 27.124 -37.238 32.609 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 30.193 -39.034 29.493 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 30.568 -39.778 29.022 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 30.197 -39.304 30.411 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 29.862 -39.108 32.242 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 28.927 -39.008 32.421 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 30.142 -39.817 32.820 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 19.999 -43.657 42.285 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 20.216 -44.018 43.145 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 19.144 -44.031 42.075 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 20.578 -45.192 44.523 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 21.311 -44.938 45.084 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 19.798 -44.988 45.038 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 25.778 -45.184 31.360 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 25.034 -45.691 31.037 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 25.644 -45.135 32.306 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 20.903 -45.889 37.129 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 21.648 -45.891 36.528 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 20.981 -46.713 37.611 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 27.904 -43.725 30.385 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 27.609 -42.899 30.767 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 27.201 -44.345 30.581 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 17.911 -47.428 42.444 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 18.134 -47.846 43.276 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 17.309 -48.041 42.022 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 19.033 -47.509 29.121 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 19.649 -46.882 29.500 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 18.171 -47.193 29.392 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 24.705 -44.708 34.110 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 24.464 -43.783 34.152 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 23.965 -45.167 34.506 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 25.220 -40.559 40.425 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 25.583 -39.704 40.192 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 25.752 -40.851 41.166 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 23.995 -42.849 30.103 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 24.142 -43.369 30.893 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 23.992 -41.942 30.409 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 20.448 -45.596 30.613 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 19.762 -45.244 31.180 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 20.971 -44.833 30.367 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 26.733 -41.151 30.852 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 25.916 -40.654 30.905 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 27.262 -40.676 30.212 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 19.380 -50.318 28.626 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 19.335 -49.379 28.805 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 18.492 -50.554 28.356 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 23.004 -40.064 46.410 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 23.772 -40.523 46.751 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 22.983 -40.290 45.480 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 31.700 -40.739 28.019 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 31.983 -41.533 28.472 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 32.440 -40.506 27.458 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 22.655 -44.829 27.876 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 22.719 -45.623 28.407 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 23.308 -44.948 27.187 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 28.007 -43.782 27.612 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 27.739 -43.602 28.513 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 27.801 -44.708 27.481 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 23.804 -46.857 30.182 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 23.345 -47.341 30.868 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 24.059 -47.525 29.546 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 17.940 -46.738 38.262 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 18.124 -46.820 37.327 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 18.789 -46.862 38.686 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 19.532 -41.985 44.906 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 18.711 -41.810 44.446 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 19.280 -42.058 45.827 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 22.486 -41.010 41.165 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 22.061 -40.201 40.882 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 23.391 -40.925 40.863 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 27.066 -38.266 39.418 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 26.609 -37.737 38.764 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 27.229 -37.663 40.143 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 20.372 -38.987 47.175 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 20.104 -38.700 48.048 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 21.143 -39.533 47.327 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 21.120 -24.321 0.386 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 20.750 -25.123 0.017 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 22.061 -24.490 0.433 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 22.153 -22.317 6.240 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 22.161 -22.453 5.292 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 21.237 -22.435 6.492 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 17.750 -26.124 3.530 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 17.249 -26.152 2.715 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 17.756 -27.030 3.840 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 17.501 -23.344 0.414 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 18.447 -23.488 0.395 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 17.388 -22.560 0.951 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 20.745 -20.543 -3.441 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 20.897 -20.891 -2.562 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 19.894 -20.899 -3.696 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 19.999 -24.801 4.573 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 20.216 -25.162 5.433 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 19.144 -25.175 4.363 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 20.578 -26.336 6.811 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 21.311 -26.082 7.372 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 19.798 -26.132 7.326 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 17.911 -28.572 4.732 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 18.134 -28.990 5.564 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 17.309 -29.185 4.310 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 19.118 -22.740 -4.252 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 18.286 -22.267 -4.225 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 19.664 -22.230 -4.851 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 23.004 -21.208 8.698 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 23.772 -21.667 9.039 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 22.983 -21.434 7.768 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 24.969 -26.347 7.465 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 24.641 -26.076 6.607 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 25.121 -27.288 7.377 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 19.146 -29.117 7.452 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 19.554 -29.974 7.331 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 18.886 -29.102 8.373 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 21.911 -31.555 7.820 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 21.144 -32.087 7.610 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 22.590 -31.865 7.221 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 20.092 -33.634 7.525 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 20.303 -34.341 6.914 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 19.980 -34.072 8.369 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 16.990 -19.038 -3.706 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 16.343 -19.500 -4.239 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 17.345 -19.710 -3.123 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 17.860 -20.957 -1.901 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 17.526 -21.838 -1.729 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 18.082 -20.612 -1.037 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 17.538 -32.611 6.691 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 18.457 -32.733 6.927 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 17.088 -33.361 7.080 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 19.532 -23.129 7.194 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 18.711 -22.954 6.734 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 19.280 -23.202 8.115 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 22.486 -22.154 3.453 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 22.061 -21.345 3.170 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 23.391 -22.069 3.151 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 22.355 -19.298 2.530 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 21.490 -19.226 2.934 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 22.300 -18.751 1.746 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 21.444 -21.565 -0.934 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 21.225 -22.481 -0.765 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 22.268 -21.425 -0.468 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.981 -21.095 -0.086 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 24.194 -21.983 -0.373 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 24.046 -21.129 0.869 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 21.747 -36.932 7.934 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 22.646 -37.206 7.749 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 21.361 -37.675 8.398 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 28.895 -27.641 15.695 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 28.984 -26.697 15.563 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 28.256 -27.916 15.037 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 27.828 -28.386 19.114 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 27.790 -29.032 19.819 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 27.505 -28.852 18.343 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 31.534 -25.447 17.416 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 31.093 -26.167 17.866 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 31.521 -24.726 18.046 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 28.645 -20.342 17.628 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 29.265 -21.019 17.355 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 28.437 -20.560 18.536 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 26.217 -25.953 19.520 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 26.521 -26.639 18.926 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 26.939 -25.835 20.138 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 29.358 -31.559 19.848 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 29.501 -32.506 19.868 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 29.252 -31.352 18.919 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 24.289 -29.511 17.098 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 24.905 -30.037 17.607 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 23.703 -30.151 16.694 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 28.692 -25.040 14.738 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 28.396 -25.362 13.887 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 28.368 -24.140 14.780 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 30.298 -21.826 16.389 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 30.723 -22.533 15.904 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 30.615 -21.025 15.972 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 31.457 -23.925 14.898 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 31.200 -24.615 14.286 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 31.528 -24.368 15.743 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 27.616 -28.397 13.147 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 26.904 -27.862 12.796 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 28.307 -28.341 12.487 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 29.343 -23.285 20.349 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 29.102 -22.623 20.997 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 29.145 -24.119 20.774 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 23.914 -24.389 24.332 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 23.602 -23.607 24.788 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 23.264 -24.542 23.646 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 27.619 -22.288 15.219 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 28.093 -21.993 15.997 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 27.056 -21.550 14.986 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 22.153 -22.317 25.096 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 22.161 -22.453 24.148 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 21.237 -22.435 25.348 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 26.677 -23.104 23.828 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 26.764 -22.278 24.303 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 25.813 -23.434 24.077 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 27.091 -19.332 13.634 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 27.016 -19.453 12.688 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 27.124 -18.382 13.753 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 29.862 -20.252 13.386 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 28.927 -20.152 13.565 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 30.142 -20.961 13.964 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 27.281 -36.609 22.799 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 27.701 -37.024 23.552 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 26.348 -36.787 22.916 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 30.607 -32.853 23.653 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 30.093 -32.979 24.450 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 30.452 -31.941 23.408 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 22.706 -31.144 15.432 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 21.813 -31.485 15.373 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 23.157 -31.521 14.676 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 27.344 -30.553 25.737 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 26.781 -31.257 26.057 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 28.170 -30.673 26.204 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 18.342 -33.183 11.661 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 18.816 -32.592 11.076 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 17.624 -32.652 12.008 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 28.510 -29.644 21.734 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 28.834 -30.275 21.091 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 28.070 -30.179 22.395 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 25.288 -33.717 16.518 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 24.377 -33.660 16.807 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 25.793 -33.777 17.329 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 23.769 -32.088 13.001 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 24.701 -31.959 13.179 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 23.554 -31.418 12.352 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 29.693 -34.482 19.782 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 29.016 -34.351 20.446 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 29.207 -34.637 18.972 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 22.443 -30.893 10.568 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 21.901 -31.273 9.877 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 23.277 -30.699 10.139 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 26.608 -30.929 18.405 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 27.172 -31.476 17.858 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 26.460 -31.451 19.194 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 25.778 -26.328 12.504 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 25.034 -26.835 12.181 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 25.644 -26.279 13.450 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 27.298 -26.144 23.741 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 26.952 -26.525 24.547 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 27.098 -25.210 23.812 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 27.904 -24.869 11.529 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 27.609 -24.043 11.911 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 27.201 -25.489 11.725 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 25.220 -21.703 21.569 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 25.583 -20.848 21.336 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 25.752 -21.995 22.310 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 28.764 -25.604 21.270 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 28.338 -25.831 22.096 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 29.345 -26.342 21.087 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 25.058 -23.563 8.791 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 25.297 -24.311 8.243 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 24.789 -23.951 9.623 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 23.995 -23.993 11.247 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 24.142 -24.513 12.037 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 23.992 -23.086 11.553 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 28.280 -34.078 22.036 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 28.978 -34.004 22.686 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 27.899 -34.942 22.191 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 26.733 -22.295 11.996 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 25.916 -21.798 12.049 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 27.262 -21.820 11.356 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 26.264 -32.698 13.968 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 27.076 -32.194 14.014 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 26.019 -32.843 14.882 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 26.800 -31.712 23.153 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 26.919 -31.138 23.910 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 27.455 -32.400 23.268 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 27.148 -35.617 14.906 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 26.801 -34.999 15.551 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 27.806 -35.116 14.425 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 22.805 -34.554 11.594 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 22.722 -33.665 11.940 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 23.695 -34.819 11.825 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 21.064 -24.126 10.654 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 21.656 -23.427 10.930 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.523 -24.559 9.935 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.380 -31.462 9.770 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 19.335 -30.523 9.949 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 18.492 -31.698 9.500 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.004 -21.208 27.554 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 23.772 -21.667 27.895 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.983 -21.434 26.624 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 27.096 -21.700 8.929 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 26.452 -22.331 9.251 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 27.858 -22.231 8.697 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 22.655 -25.973 9.020 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 22.719 -26.767 9.551 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 23.308 -26.092 8.331 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 24.969 -26.347 26.321 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 24.641 -26.076 25.463 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 25.121 -27.288 26.233 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 23.804 -28.001 11.326 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 23.345 -28.485 12.012 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 24.059 -28.669 10.690 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 24.875 -29.758 9.589 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 24.695 -29.912 8.661 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 25.826 -29.650 9.633 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 28.113 -27.637 26.960 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 29.066 -27.553 26.932 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 27.953 -28.348 27.579 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.427 -28.944 22.497 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 26.178 -29.100 21.924 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 25.088 -28.092 22.221 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 29.843 -31.129 27.525 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 30.035 -32.060 27.414 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 30.700 -30.704 27.515 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.915 -32.605 26.252 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 25.679 -32.825 27.154 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.132 -32.812 25.743 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 28.631 -33.478 25.328 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 27.683 -33.446 25.460 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 28.943 -34.103 25.982 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 30.265 -34.844 27.333 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 30.168 -35.796 27.327 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 29.943 -34.575 28.194 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 24.773 -19.067 10.590 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 25.706 -18.909 10.734 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.509 -18.392 9.965 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 22.355 -19.298 21.386 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 21.490 -19.226 21.790 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 22.300 -18.751 20.602 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 27.066 -19.410 20.562 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 26.609 -18.881 19.908 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 27.229 -18.807 21.287 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 29.393 -20.532 21.507 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 28.489 -20.367 21.241 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 29.822 -19.679 21.441 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 27.490 -35.431 17.915 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 26.815 -36.060 18.170 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 28.054 -35.915 17.312 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 20.514 -35.083 9.983 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 21.005 -35.713 9.455 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 21.137 -34.787 10.646 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 25.540 -34.790 12.440 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 25.718 -35.436 13.123 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 25.486 -33.956 12.907 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 27.418 -19.841 10.835 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 28.284 -19.475 10.657 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 27.171 -20.281 10.022 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 20.372 -20.131 9.463 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 20.104 -19.844 10.336 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 21.143 -20.677 9.615 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 30.169 -37.600 26.972 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 30.245 -38.026 27.826 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 31.062 -37.586 26.630 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 28.895 -27.641 34.551 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 28.984 -26.697 34.419 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 28.256 -27.916 33.893 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 21.120 -24.321 38.098 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 20.750 -25.123 37.729 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 22.061 -24.490 38.145 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 24.289 -29.511 35.954 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 24.905 -30.037 36.463 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 23.703 -30.151 35.550 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 23.892 -26.864 40.338 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 23.152 -26.266 40.441 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 24.606 -26.310 40.022 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 22.300 -24.900 41.125 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 22.294 -24.021 40.747 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 21.446 -24.983 41.550 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 25.349 -37.234 37.503 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 25.232 -38.183 37.449 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.494 -36.902 37.776 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 27.616 -28.397 32.003 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 26.904 -27.862 31.652 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 28.307 -28.341 31.343 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 27.670 -29.939 29.042 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 28.371 -29.917 29.693 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 27.972 -30.567 28.386 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 22.667 -27.557 34.838 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.337 -27.927 34.019 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.255 -28.227 35.184 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 23.034 -28.788 38.471 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 23.599 -28.667 37.708 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 23.353 -28.151 39.110 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 23.914 -24.389 43.188 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 23.602 -23.607 43.644 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 23.264 -24.542 42.502 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 29.893 -29.025 30.640 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 30.472 -28.875 31.387 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 30.307 -28.554 29.917 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 22.153 -22.317 43.952 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 22.161 -22.453 43.004 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 21.237 -22.435 44.204 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 17.501 -23.344 38.126 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 18.447 -23.488 38.107 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 17.388 -22.560 38.663 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 20.745 -20.543 34.271 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 20.897 -20.891 35.150 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 19.894 -20.899 34.016 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 19.999 -24.801 42.285 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 20.216 -25.162 43.145 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 19.144 -25.175 42.075 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 27.281 -36.609 41.655 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 27.701 -37.024 42.408 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 26.348 -36.787 41.772 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 26.943 -34.116 28.940 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 26.689 -34.097 29.863 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 26.686 -34.988 28.639 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 28.242 -30.728 33.105 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 27.833 -29.913 32.813 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 28.962 -30.868 32.490 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 27.344 -30.553 44.593 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 26.781 -31.257 44.913 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.170 -30.673 45.060 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 25.288 -33.717 35.374 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 24.377 -33.660 35.663 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 25.793 -33.777 36.185 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 26.608 -30.929 37.261 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 27.172 -31.476 36.714 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 26.460 -31.451 38.050 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 25.234 -32.541 39.675 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 24.399 -32.087 39.785 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.758 -32.265 40.427 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.778 -26.328 31.360 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.034 -26.835 31.037 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.644 -26.279 32.306 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 29.676 -33.514 29.559 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 28.738 -33.402 29.408 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 29.973 -32.657 29.865 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 30.394 -31.647 31.220 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 31.286 -31.784 31.539 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 30.451 -30.856 30.683 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 20.903 -27.033 37.129 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.648 -27.035 36.528 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 20.981 -27.857 37.611 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 27.904 -24.869 30.385 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 27.609 -24.043 30.767 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 27.201 -25.489 30.581 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 24.928 -29.055 44.657 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 24.632 -29.221 43.762 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 25.859 -29.275 44.647 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 23.278 -23.515 34.534 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 23.805 -22.742 34.333 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 22.398 -23.290 34.232 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.705 -25.852 34.110 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.464 -24.927 34.152 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 23.965 -26.311 34.506 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.196 -22.014 40.437 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 19.413 -22.946 40.406 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 19.443 -21.740 41.321 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 25.058 -23.563 27.647 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 25.297 -24.311 27.099 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.789 -23.951 28.479 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 23.995 -23.993 30.103 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 24.142 -24.513 30.893 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 23.992 -23.086 30.409 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 28.280 -34.078 40.892 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 28.978 -34.004 41.542 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 27.899 -34.942 41.047 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 29.064 -34.426 31.989 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 29.284 -33.954 31.186 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 29.622 -34.031 32.660 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 26.264 -32.698 32.824 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 27.076 -32.194 32.870 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 26.019 -32.843 33.738 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 26.800 -31.712 42.009 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 26.919 -31.138 42.766 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 27.455 -32.400 42.124 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 27.148 -35.617 33.762 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 26.801 -34.999 34.407 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 27.806 -35.116 33.281 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 24.071 -21.252 30.834 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 24.232 -20.452 30.333 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 23.874 -20.945 31.719 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 19.118 -22.740 33.460 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 18.286 -22.267 33.487 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 19.664 -22.230 32.861 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 18.407 -20.127 44.790 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 18.947 -20.344 45.549 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 17.926 -20.933 44.600 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 23.004 -21.208 46.410 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 23.772 -21.667 46.751 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 22.983 -21.434 45.480 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 24.969 -26.347 45.177 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 24.641 -26.076 44.319 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 25.121 -27.288 45.089 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 25.427 -28.944 41.353 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 26.178 -29.100 40.780 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 25.088 -28.092 41.077 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.651 -36.927 41.545 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.553 -35.980 41.439 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 23.908 -37.299 41.069 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 25.915 -32.605 45.108 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 25.679 -32.825 46.010 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 25.132 -32.812 44.599 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 24.873 -37.633 44.216 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 25.585 -38.273 44.202 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 24.772 -37.366 43.302 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.226 -35.950 46.270 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 25.095 -36.426 45.449 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 24.627 -35.206 46.214 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 24.773 -19.067 29.446 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 25.706 -18.909 29.590 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.509 -18.392 28.821 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 17.860 -20.957 35.811 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 17.526 -21.838 35.983 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 18.082 -20.612 36.675 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 19.532 -23.129 44.906 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 18.711 -22.954 44.446 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 19.280 -23.202 45.827 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 22.486 -22.154 41.165 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 22.061 -21.345 40.882 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 23.391 -22.069 40.863 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 27.490 -35.431 36.771 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 26.815 -36.060 37.026 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 28.054 -35.915 36.168 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 18.554 -21.051 31.294 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 17.869 -21.089 30.626 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 18.557 -20.138 31.582 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 25.540 -34.790 31.296 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 25.718 -35.436 31.979 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 25.486 -33.956 31.763 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 21.747 -36.932 45.646 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 22.646 -37.206 45.461 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 21.361 -37.675 46.110 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 20.372 -20.131 28.319 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 20.104 -19.844 29.192 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 21.143 -20.677 28.471 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 17.730 -30.661 52.347 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 17.282 -29.815 52.329 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 17.169 -31.241 51.832 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 18.421 -25.229 50.763 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 18.149 -25.000 49.874 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 18.466 -24.391 51.223 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 21.657 -28.487 51.283 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 21.365 -27.719 50.792 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 20.983 -29.147 51.120 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 23.825 -33.671 46.897 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 23.394 -34.116 47.627 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 23.107 -33.299 46.385 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 18.342 -33.183 49.373 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 18.816 -32.592 48.788 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 17.624 -32.652 49.720 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 22.443 -30.893 48.280 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 21.901 -31.273 47.589 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 23.277 -30.699 47.851 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 25.058 -23.563 46.503 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 25.297 -24.311 45.955 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 24.789 -23.951 47.335 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 23.995 -23.993 48.959 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 24.142 -24.513 49.749 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 23.992 -23.086 49.265 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 20.448 -26.740 49.469 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 19.762 -26.388 50.036 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 20.971 -25.977 49.223 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 22.805 -34.554 49.306 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 22.722 -33.665 49.652 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 23.695 -34.819 49.537 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 21.064 -24.126 48.366 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 21.656 -23.427 48.642 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 21.523 -24.559 47.647 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 22.655 -25.973 46.732 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 22.719 -26.767 47.263 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 23.308 -26.092 46.043 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 23.804 -28.001 49.038 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 23.345 -28.485 49.724 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.059 -28.669 48.402 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 24.875 -29.758 47.301 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 24.695 -29.912 46.373 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 25.826 -29.650 47.345 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 18.653 -36.999 49.252 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 19.092 -36.388 48.661 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 18.019 -36.461 49.726 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 20.514 -35.083 47.695 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 21.005 -35.713 47.167 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 21.137 -34.787 48.358 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 20.372 -20.131 47.175 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 20.104 -19.844 48.048 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 21.143 -20.677 47.327 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 20.196 -9.915 1.851 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 20.238 -10.541 2.575 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 20.899 -9.292 2.033 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 21.120 -5.465 0.386 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 20.750 -6.267 0.017 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 22.061 -5.634 0.433 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 22.513 -14.602 -1.736 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 22.556 -13.742 -2.154 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 22.055 -15.154 -2.369 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 19.133 -12.205 -0.974 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 19.787 -12.755 -0.542 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 19.157 -12.479 -1.890 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 21.323 -15.684 2.338 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 21.104 -15.154 1.572 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 20.655 -15.457 2.986 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 23.892 -8.008 2.626 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 23.152 -7.410 2.729 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.606 -7.454 2.310 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 20.917 -13.792 0.291 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 21.530 -13.159 0.664 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 21.429 -14.264 -0.366 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 22.300 -6.044 3.413 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.294 -5.165 3.035 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 21.446 -6.127 3.838 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.349 -18.378 -0.209 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 25.232 -19.327 -0.263 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 24.494 -18.046 0.064 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.034 -9.932 0.759 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 23.599 -9.811 -0.004 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.353 -9.295 1.398 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.914 -5.533 5.476 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 23.602 -4.751 5.932 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 23.264 -5.686 4.790 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.153 -3.461 6.240 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 22.161 -3.597 5.292 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 21.237 -3.579 6.492 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 17.750 -7.268 3.530 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 17.249 -7.296 2.715 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 17.756 -8.174 3.840 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 19.999 -5.945 4.573 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 20.216 -6.306 5.433 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 19.144 -6.319 4.363 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 22.618 -17.475 0.569 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 21.757 -17.562 0.161 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 22.596 -16.619 0.996 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 22.709 -12.509 1.664 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 22.067 -12.550 2.373 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 22.746 -11.583 1.426 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 27.344 -11.697 6.881 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 26.781 -12.401 7.201 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 28.170 -11.817 7.348 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 17.067 -15.073 -2.619 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 17.698 -15.102 -1.899 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 17.517 -15.498 -3.349 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 20.116 -13.232 -3.511 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 19.227 -13.132 -3.851 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 20.412 -14.074 -3.857 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 21.610 -15.937 -4.033 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 21.293 -16.839 -4.068 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 22.391 -15.935 -4.585 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.234 -13.685 1.963 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.399 -13.231 2.073 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 25.758 -13.409 2.715 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 20.903 -8.177 -0.583 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 21.648 -8.179 -1.184 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 20.981 -9.001 -0.101 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 24.928 -10.199 6.945 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 24.632 -10.365 6.050 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.859 -10.419 6.935 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 26.800 -12.856 4.297 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 26.919 -12.282 5.054 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 27.455 -13.544 4.412 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 18.407 -1.271 7.078 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 18.947 -1.488 7.837 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 17.926 -2.077 6.888 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 23.004 -2.352 8.698 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 23.772 -2.811 9.039 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.983 -2.578 7.768 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 24.969 -7.491 7.465 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 24.641 -7.220 6.607 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.121 -8.432 7.377 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 28.113 -8.781 8.104 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 29.066 -8.697 8.076 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 27.953 -9.492 8.723 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 23.433 -13.897 5.909 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 23.583 -14.626 5.306 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 23.435 -13.120 5.350 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 23.845 -15.527 3.401 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 24.381 -15.076 2.749 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 22.993 -15.635 2.979 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 25.427 -10.088 3.641 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 26.178 -10.244 3.068 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 25.088 -9.236 3.365 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 24.651 -18.071 3.833 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 24.553 -17.124 3.727 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 23.908 -18.443 3.357 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 25.915 -13.749 7.396 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 25.679 -13.969 8.298 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.132 -13.956 6.887 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 25.226 -17.094 8.558 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 25.095 -17.570 7.737 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 24.627 -16.350 8.502 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 17.940 -9.026 0.550 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 18.124 -9.108 -0.385 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 18.789 -9.150 0.974 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 17.063 -12.444 0.651 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 17.555 -12.665 -0.139 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 17.425 -11.603 0.932 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 17.376 -16.186 -5.294 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 16.451 -15.977 -5.424 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 17.830 -15.702 -5.984 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 19.532 -4.273 7.194 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 18.711 -4.098 6.734 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 19.280 -4.346 8.115 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 19.816 -17.941 -3.119 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 19.039 -18.175 -3.627 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 20.347 -18.738 -3.111 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 21.747 -18.076 7.934 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 22.646 -18.350 7.749 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 21.361 -18.819 8.398 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 31.534 -6.591 17.416 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 31.093 -7.311 17.866 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 31.521 -5.870 18.046 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 28.645 -1.486 17.628 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 29.265 -2.163 17.355 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 28.437 -1.704 18.536 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 29.358 -12.703 19.848 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 29.501 -13.650 19.868 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 29.252 -12.496 18.919 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 30.235 -14.471 15.521 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 30.881 -14.800 16.146 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 30.745 -13.953 14.898 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 32.046 -4.751 19.764 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 31.104 -4.693 19.925 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 32.322 -3.845 19.627 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 30.298 -2.970 16.389 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 30.723 -3.677 15.904 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 30.615 -2.169 15.972 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 31.457 -5.069 14.898 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 31.200 -5.759 14.286 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 31.528 -5.512 15.743 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 33.143 -6.503 23.375 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 33.283 -7.094 22.636 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 33.311 -5.630 23.019 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 27.670 -11.083 10.186 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 28.371 -11.061 10.837 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 27.972 -11.711 9.530 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 31.022 -9.331 14.099 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 30.290 -9.103 14.672 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 31.469 -10.045 14.554 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 30.919 -11.157 23.167 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 30.999 -10.394 23.739 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 30.318 -10.878 22.476 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 29.343 -4.429 20.349 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 29.102 -3.767 20.997 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 29.145 -5.263 20.774 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 29.893 -10.169 11.784 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 30.472 -10.019 12.531 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 30.307 -9.698 11.061 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 35.698 -3.822 24.952 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 35.649 -4.777 24.915 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 34.872 -3.554 25.354 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.091 -0.476 13.634 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 27.016 -0.597 12.688 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 27.124 0.474 13.753 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 29.862 -1.396 13.386 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 28.927 -1.296 13.565 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 30.142 -2.105 13.964 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 32.850 -12.329 25.432 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 32.443 -11.848 24.712 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 32.891 -13.234 25.125 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 19.999 -5.945 23.429 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.216 -6.306 24.289 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 19.144 -6.319 23.219 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 27.281 -17.753 22.799 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 27.701 -18.168 23.552 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 26.348 -17.931 22.916 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 30.607 -13.997 23.653 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 30.093 -14.123 24.450 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 30.452 -13.085 23.408 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 26.943 -15.260 10.084 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 26.689 -15.241 11.007 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 26.686 -16.132 9.783 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 28.242 -11.872 14.249 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 27.833 -11.057 13.957 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 28.962 -12.012 13.634 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 29.246 -12.426 17.063 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 29.051 -11.821 16.348 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 29.428 -13.260 16.628 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.825 -14.815 9.185 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 23.394 -15.260 9.915 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.107 -14.443 8.673 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 28.510 -10.788 21.734 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 28.834 -11.419 21.091 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 28.070 -11.323 22.395 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 29.693 -15.626 19.782 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 29.016 -15.495 20.446 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 29.207 -15.781 18.972 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 32.980 0.046 26.059 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 33.180 0.470 25.224 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 33.636 0.389 26.666 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 20.578 -7.480 25.667 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 21.311 -7.226 26.228 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 19.798 -7.276 26.182 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 32.928 -8.339 21.290 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 33.570 -7.882 20.747 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 32.098 -8.226 20.828 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 30.394 -12.791 12.364 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 31.286 -12.928 12.683 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 30.451 -12.000 11.827 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 27.904 -6.013 11.529 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 27.609 -5.187 11.911 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 27.201 -6.633 11.725 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 35.243 -6.781 24.895 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 34.391 -6.543 24.528 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 35.833 -6.798 24.142 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 30.735 -8.987 19.545 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 29.807 -9.219 19.518 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 31.186 -9.764 19.215 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 23.389 -1.974 14.799 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 22.439 -1.869 14.851 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 23.740 -1.154 15.144 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 30.967 -5.819 10.344 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 31.320 -6.199 11.148 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 30.018 -5.912 10.430 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 31.423 -2.196 23.739 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 30.821 -2.751 23.244 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 31.704 -1.529 23.113 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 31.833 -7.146 12.570 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 31.556 -7.874 13.126 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 32.760 -7.027 12.776 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 25.058 -4.707 8.791 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 25.297 -5.455 8.243 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 24.789 -5.095 9.623 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 23.995 -5.137 11.247 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 24.142 -5.657 12.037 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 23.992 -4.230 11.553 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 28.280 -15.222 22.036 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 28.978 -15.148 22.686 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 27.899 -16.086 22.191 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 29.064 -15.570 13.133 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 29.284 -15.098 12.330 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 29.622 -15.175 13.804 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 26.733 -3.439 11.996 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 25.916 -2.942 12.049 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 27.262 -2.964 11.356 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 26.264 -13.842 13.968 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 27.076 -13.338 14.014 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 26.019 -13.987 14.882 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 26.800 -12.856 23.153 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 26.919 -12.282 23.910 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 27.455 -13.544 23.268 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 24.071 -2.396 11.978 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 24.232 -1.596 11.477 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 23.874 -2.089 12.863 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 31.606 -11.198 18.084 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 30.809 -11.613 17.755 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 32.051 -11.889 18.575 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 32.693 -1.942 19.706 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 32.537 -1.264 19.049 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 33.625 -1.870 19.909 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 18.407 -1.271 25.934 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 18.947 -1.488 26.693 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 17.926 -2.077 25.744 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 18.314 -7.461 26.888 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 18.458 -8.363 26.602 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 17.541 -7.175 26.400 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 22.655 -7.117 9.020 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 22.719 -7.911 9.551 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 23.308 -7.236 8.331 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 28.007 -6.070 8.756 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 27.739 -5.890 9.657 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 27.801 -6.996 8.625 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 24.875 -10.902 9.589 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 24.695 -11.056 8.661 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 25.826 -10.794 9.633 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 29.843 -12.273 27.525 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 30.035 -13.204 27.414 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 30.700 -11.848 27.515 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 31.159 -9.484 25.603 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 30.878 -8.775 25.025 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 32.102 -9.557 25.452 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 24.651 -18.071 22.689 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 24.553 -17.124 22.583 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 23.908 -18.443 22.213 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 25.915 -13.749 26.252 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 25.679 -13.969 27.154 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 25.132 -13.956 25.743 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 28.631 -14.622 25.328 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 27.683 -14.590 25.460 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 28.943 -15.247 25.982 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 24.873 -18.777 25.360 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 25.585 -19.417 25.346 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 24.772 -18.510 24.446 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 25.226 -17.094 27.414 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 25.095 -17.570 26.593 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 24.627 -16.350 27.358 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 16.990 -0.182 15.150 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 16.343 -0.644 14.617 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 17.345 -0.854 15.733 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 34.972 -1.725 22.857 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 34.485 -2.460 22.486 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 35.521 -2.118 23.535 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 33.423 -5.935 27.495 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 32.557 -6.040 27.889 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 33.799 -5.176 27.942 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 33.364 -3.962 22.088 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 32.716 -3.637 22.713 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 32.846 -4.402 21.413 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 32.905 -11.104 15.396 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 32.755 -12.049 15.376 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 32.551 -10.823 16.240 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 33.761 -9.134 25.035 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 34.344 -9.868 25.226 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 34.325 -8.362 25.081 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 19.532 -4.273 26.050 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 18.711 -4.098 25.590 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 19.280 -4.346 26.971 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 29.142 -0.614 24.512 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 29.819 -1.246 24.272 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 29.464 -0.212 25.320 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 19.888 -0.042 22.356 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.168 0.398 21.905 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 19.522 -0.293 23.205 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 22.355 -0.442 21.386 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 21.490 -0.370 21.790 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 22.300 0.105 20.602 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 27.066 -0.554 20.562 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.609 -0.025 19.908 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 27.229 0.049 21.287 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 29.393 -1.676 21.507 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 28.489 -1.511 21.241 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 29.822 -0.823 21.441 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 31.998 -0.106 21.802 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 31.816 0.810 21.591 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 32.174 -0.516 20.955 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 19.303 -1.419 19.267 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 19.284 -1.844 20.124 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 20.108 -1.737 18.858 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 27.490 -16.575 17.915 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 26.815 -17.204 18.170 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 28.054 -17.059 17.312 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 29.953 -17.984 17.199 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 30.029 -17.889 16.250 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 29.677 -18.892 17.328 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 18.554 -2.195 12.438 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 17.869 -2.233 11.770 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 18.557 -1.282 12.726 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 20.514 -16.227 9.983 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 21.005 -16.857 9.455 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 21.137 -15.931 10.646 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 21.747 -18.076 26.790 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 22.646 -18.350 26.605 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 21.361 -18.819 27.254 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 20.372 -1.275 9.463 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 20.104 -0.988 10.336 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 21.143 -1.821 9.615 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 33.345 -2.671 25.665 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 32.563 -2.857 25.145 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 33.273 -1.742 25.882 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 17.730 -11.805 33.491 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 17.282 -10.959 33.473 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 17.169 -12.385 32.976 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 22.513 -14.602 35.976 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 22.556 -13.742 35.558 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 22.055 -15.154 35.343 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 28.692 -6.184 33.594 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 28.396 -6.506 32.743 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 28.368 -5.284 33.636 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 18.421 -6.373 31.907 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 18.149 -6.144 31.018 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 18.466 -5.535 32.367 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 27.616 -9.541 32.003 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 26.904 -9.006 31.652 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 28.307 -9.485 31.343 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 27.670 -11.083 29.042 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 28.371 -11.061 29.693 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 27.972 -11.711 28.386 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 22.667 -8.701 34.838 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 22.337 -9.071 34.019 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 23.255 -9.371 35.184 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 29.893 -10.169 30.640 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 30.472 -10.019 31.387 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 30.307 -9.698 29.917 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 27.619 -3.432 34.075 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 28.093 -3.137 34.853 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 27.056 -2.694 33.842 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 21.657 -9.631 32.427 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 21.365 -8.863 31.936 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 20.983 -10.291 32.264 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 34.781 -4.053 28.830 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 34.854 -3.114 29.000 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 35.686 -4.358 28.773 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 27.091 -0.476 32.490 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 27.016 -0.597 31.544 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 27.124 0.474 32.609 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 20.745 -1.687 34.271 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 20.897 -2.035 35.150 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 19.894 -2.043 34.016 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 30.193 -1.322 29.493 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 30.568 -2.066 29.022 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 30.197 -1.592 30.411 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 31.370 -9.136 28.270 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 31.412 -9.359 27.340 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 32.219 -8.738 28.460 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 26.943 -15.260 28.940 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 26.689 -15.241 29.863 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 26.686 -16.132 28.639 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 22.706 -12.288 34.288 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.813 -12.629 34.229 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 23.157 -12.665 33.532 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 23.825 -14.815 28.041 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 23.394 -15.260 28.771 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 23.107 -14.443 27.529 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 17.067 -15.073 35.093 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 17.698 -15.102 35.813 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 17.517 -15.498 34.363 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 20.116 -13.232 34.201 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 19.227 -13.132 33.861 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 20.412 -14.074 33.855 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 23.769 -13.232 31.857 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 24.701 -13.103 32.035 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 23.554 -12.562 31.208 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 21.610 -15.937 33.679 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 21.293 -16.839 33.644 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 22.391 -15.935 33.127 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 27.904 -6.013 30.385 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 27.609 -5.187 30.767 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 27.201 -6.633 30.581 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.278 -4.659 34.534 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 23.805 -3.886 34.333 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 22.398 -4.434 34.232 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 24.705 -6.996 34.110 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 24.464 -6.071 34.152 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 23.965 -7.455 34.506 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 23.389 -1.974 33.655 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 22.439 -1.869 33.707 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 23.740 -1.154 34.000 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 30.967 -5.819 29.200 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 31.320 -6.199 30.004 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 30.018 -5.912 29.286 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 31.833 -7.146 31.426 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 31.556 -7.874 31.982 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 32.760 -7.027 31.632 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 20.448 -7.884 30.613 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 19.762 -7.532 31.180 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.971 -7.121 30.367 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 26.733 -3.439 30.852 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 25.916 -2.942 30.905 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 27.262 -2.964 30.212 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 26.264 -13.842 32.824 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 27.076 -13.338 32.870 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.019 -13.987 33.738 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 24.071 -2.396 30.834 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 24.232 -1.596 30.333 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 23.874 -2.089 31.719 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 19.118 -3.884 33.460 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 18.286 -3.411 33.487 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 19.664 -3.374 32.861 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 31.700 -3.027 28.019 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 31.983 -3.821 28.472 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 32.440 -2.794 27.458 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 24.875 -10.902 28.445 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 24.695 -11.056 27.517 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 25.826 -10.794 28.489 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 34.265 -8.547 27.890 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 33.992 -8.972 27.077 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 34.305 -7.616 27.673 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 24.773 -0.211 29.446 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 25.706 -0.053 29.590 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 24.509 0.464 28.821 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 18.341 -5.575 28.929 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 19.255 -5.496 29.202 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 18.348 -6.262 28.262 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 18.759 -15.443 37.294 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 19.204 -16.235 37.596 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 19.225 -14.727 37.725 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 19.816 -17.941 34.593 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 19.039 -18.175 34.085 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 20.347 -18.738 34.601 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 24.396 -18.014 34.406 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 25.270 -17.626 34.376 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 24.260 -18.229 35.329 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 18.554 -2.195 31.294 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 17.869 -2.233 30.626 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 18.557 -1.282 31.582 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 25.540 -15.934 31.296 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 25.718 -16.580 31.979 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 25.486 -15.100 31.763 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 27.418 -0.985 29.691 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 28.284 -0.619 29.513 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 27.171 -1.425 28.878 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 20.372 -1.275 28.319 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 20.104 -0.988 29.192 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 21.143 -1.821 28.471 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 25.349 0.478 18.647 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 25.232 -0.471 18.593 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 24.494 0.810 18.920 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 22.618 1.381 19.425 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 21.757 1.294 19.017 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 22.596 2.237 19.852 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 27.281 1.103 22.799 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 27.701 0.688 23.552 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 26.348 0.925 22.916 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 21.610 2.919 14.823 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 21.293 2.017 14.788 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 22.391 2.921 14.271 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 20.188 1.032 18.443 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 19.959 1.091 17.516 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 19.745 0.240 18.750 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 24.651 0.785 22.689 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 24.553 1.732 22.583 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 23.908 0.413 22.213 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 24.873 0.079 25.360 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 25.585 -0.561 25.346 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 24.772 0.346 24.446 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 25.226 1.762 27.414 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 25.095 1.286 26.593 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 24.627 2.506 27.358 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 17.376 2.670 13.562 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 16.451 2.879 13.432 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 17.830 3.154 12.872 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 17.340 1.408 21.906 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 16.675 1.162 22.549 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 16.897 2.030 21.329 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 27.490 2.281 17.915 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 26.815 1.652 18.170 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 28.054 1.797 17.312 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 19.816 0.915 15.737 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 19.039 0.681 15.229 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 20.347 0.118 15.745 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 18.653 0.713 11.540 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 19.092 1.324 10.949 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 18.019 1.251 12.014 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 24.396 0.842 15.550 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 25.270 1.230 15.520 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 24.260 0.627 16.473 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 29.953 0.872 17.199 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 30.029 0.967 16.250 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 29.677 -0.036 17.328 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 21.747 0.780 26.790 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 22.646 0.506 26.605 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 21.361 0.037 27.254 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 30.169 0.112 26.972 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 30.245 -0.314 27.826 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 31.062 0.126 26.630 0.00 0.00 WAT1 END